X2JG22_DROME Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession X2JG22, Species DROME (Drosophila melanogaster, Fruit fly), Gene Prp4k, Length 906 aa.

						>X2JG22_DROME|X2JG22|Prp4k
MADDKSYDSSNNSETEERRAKHKKAKKHKKHKKSSTGKTEKDRHVHKKQKKAKKRPHRTSESTNESDAPENAKLKLSQNCGLSSKFTEIMQKASRNGADFRVGKPLLPTDPSSLVEEITKTIQNKMLPVLEVASSSSESDVPADAASPIILSIIEDELNLEELMRQKALLQARLGAYMSDPEAEDKGDLLPHTHSQQLVVHTKSVLKAVTSVPQPQPSKSAAPLATATSKHANIKKSTTHNSNESDVILLDDSSGGQRTPSPTPEKRRRHASPLPAAPRSRCRRDRRSRDRDRSPPRRRASDQQTQVRPRSRNRNMEDLRQEINRDKQRERRDHSRDRDRRGLDRPPPPTDMRPGRARERDVRPSRMQRSHSRSKFESDRRRERERQKDRDRGGGRVGARSGTDNGDRDRYKGSLSEGQNKLDKESSDEEVNVNIDILEEDDEERIIELRRKKREELLKLGTGQESPAPHNSVSYESRSTSQGSSQRERPLRTPSPTMPCPNPLISEIPKDREDMDNSTSQKTCSAKEKRNEWDMFADQDVDSNFDSPNTIVQNKHQHENPALTDNWDDAEGYYRVRIGEVLDNRYLVNGYTGQGVFSNVVRGRDQARGQANVAIKIIRNNEIMHKTGLRELEILKKLNDADPEDRFHCLRLYRHFFHKQHLCMVFEPLAMNLREVLKKYGKNVGLHIKAVRSYTQQLFLALKLLKKTGILHADIKPDNILVNENNLILKLCDFGSASAISDNEITPYLVSRFYRSPEIILGIPYDYGIDTWSAGCTIYELYTGKILFSGKSNNQMLKFFMDVKGKIPNRIIRKGQFREQHFDQSCNFLYHEIDKLTEREKIVVMPVVKPSRSLQQELIADQNLPDDQHRKVTQLKDLLENMFALDPAKRISLNQALVHPFIQEKM
					

Structure Viewer

Loading PAE data...

(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	31.5	Very low	34.2	Very low	239 Å²	239	136.4 Å²	136.4	100%	1.177	74%	0.744	S	S	*	*				0	87.1	0	-65.3	166.9	179.3	0	0	104.8
2	A	35.3	Very low	33.8	Very low	82 Å²	82	138.4 Å²	138.4	68%	0.678	75%	0.753	S	S	*	*			cis	68.7	124.9	47.6	0	0	0	0	0	109.5
3	D	37.3	Very low	33.5	Very low	143 Å²	143	134.6 Å²	134.6	77%	0.765	74%	0.743	S	S	*	*			cis	-132.4	157.1	12.3	-75.1	-65.4	0	0	0	110.7
4	D	40.1	Very low	33.4	Very low	115 Å²	115	137.3 Å²	137.3	62%	0.615	75%	0.748	S	S	*	*				55	137	73.2	-108.8	3.1	0	0	0	112.3
5	K	39.2	Very low	33.3	Very low	160 Å²	160	136.6 Å²	136.6	70%	0.696	75%	0.75	S	S	*	*			cis	-166.2	140.7	20.3	-136.4	152.6	-169.4	137.5	0	111.7
6	S	34.3	Very low	33.2	Very low	97 Å²	97	140.7 Å²	140.7	68%	0.678	76%	0.762	S	S	*	*			trans	53.4	176.6	131.3	76	0	0	0	0	122.4
7	Y	34.6	Very low	33.3	Very low	202 Å²	202	140.2 Å²	140.2	79%	0.792	75%	0.753	S	S	*	*			cis	-147.1	164.5	10.3	-145.8	-90	0	0	0	111.5
8	D	31.9	Very low	33.4	Very low	126 Å²	126	143.4 Å²	143.4	67%	0.674	75%	0.753	S	S	*	*			trans	-36.9	-178.6	163.4	-89	-30.4	0	0	0	117.3
9	S	30.9	Very low	33.3	Very low	87 Å²	87	148.5 Å²	148.5	61%	0.608	76%	0.761	S	S	*	*			cis	171.4	160	-30.2	-88.1	0	0	0	0	108.3
10	S	30.4	Very low	33.4	Very low	100 Å²	100	145.6 Å²	145.6	70%	0.699	76%	0.76	S	S	*	*			trans	49.7	121.3	150.1	61.2	0	0	0	0	123
11	N	31.2	Very low	33.3	Very low	149 Å²	149	148.7 Å²	148.7	80%	0.797	77%	0.768	S	S	*	*				46.1	121.7	127.5	-56.7	-8.5	0	0	0	122.3
12	N	29.5	Very low	33.4	Very low	161 Å²	161	145.9 Å²	145.9	86%	0.861	75%	0.751	S	S	*	*				-175.5	158.6	118.6	-98.4	-18.1	0	0	0	109.7
13	S	29.1	Very low	33.2	Very low	89 Å²	89	150.8 Å²	150.8	62%	0.622	76%	0.757	S	S	*	*			cis	-161.6	-165.1	-7.9	41	0	0	0	0	109.4
14	E	32.8	Very low	32.8	Very low	172 Å²	172	153 Å²	153	80%	0.804	76%	0.76	S	S	*	*			trans	74.8	105.5	167.7	-54.3	179.1	174.5	0	0	115.7
15	T	32	Very low	32.4	Very low	127 Å²	127	151.9 Å²	151.9	78%	0.779	77%	0.767	S	S	*	*				73.5	104.7	53.8	71	0	0	0	0	115.8
16	E	31.6	Very low	32.2	Very low	202 Å²	202	153.6 Å²	153.6	94%	0.944	77%	0.774	S	S	*	*				-178.4	-177.5	106.3	-97	-142.3	123.6	0	0	112.9
17	E	34.9	Very low	32.2	Very low	132 Å²	132	158.1 Å²	158.1	62%	0.617	78%	0.782	S	S	*	*			trans	-112.7	152.4	-160.2	-126.7	-157.2	138.7	0	0	115.5
18	R	34.1	Very low	32.1	Very low	199 Å²	199	157.2 Å²	157.2	75%	0.751	78%	0.784	S	S	*	*			trans	81.3	155	147.5	-70.6	172.7	-176	168.8	20.9	123.2
19	R	32.3	Very low	32.2	Very low	239 Å²	239	160.1 Å²	160.1	90%	0.902	79%	0.791	S	S	*	*			trans	79.1	85.1	154	-80.4	174	175.1	-176	-0.4	121.4
20	A	34.6	Very low	32.4	Very low	90 Å²	90	165.1 Å²	165.1	74%	0.744	80%	0.802	S	S	*	*				12.8	128.3	123.2	0	0	0	0	0	121.3
21	K	32.7	Very low	32.8	Very low	211 Å²	211	167.7 Å²	167.7	92%	0.917	80%	0.802	S	S	*	*				162.4	140	125.5	-90.8	172.2	-177.5	178	0	113.1
22	H	33.3	Very low	32.8	Very low	181 Å²	181	169.1 Å²	169.1	84%	0.838	80%	0.802	S	S	*	*			trans	-28.8	137.7	163.3	-78	-66.6	0	0	0	119.6
23	K	31.3	Very low	32.8	Very low	185 Å²	185	170.2 Å²	170.2	80%	0.804	80%	0.799	S	S	*	*				147.5	140.4	114.6	-99.1	157.9	-177.3	175.9	0	115.6
24	K	28.5	Very low	32.9	Very low	189 Å²	189	170.7 Å²	170.7	82%	0.822	80%	0.802	S	S	*	*			trans	75.9	99.3	145.6	-72.1	178.3	174.5	-175.8	0	122.9
25	A	31.6	Very low	32.7	Very low	91 Å²	91	167.3 Å²	167.3	75%	0.752	80%	0.798	S	S	*	*				83.2	162.3	107.5	0	0	0	0	0	122.7
26	K	33.5	Very low	32.6	Very low	196 Å²	196	168.5 Å²	168.5	85%	0.852	81%	0.805	S	S	*	*			trans	72.7	141.9	175.2	-63.5	176.5	-179.9	176.1	0	114.3
27	K	35	Very low	32.5	Very low	193 Å²	193	162.3 Å²	162.3	84%	0.839	80%	0.795	S	S	*	*			cis	-125.5	153.2	-7.6	-76.6	140.5	179.2	176.9	0	107
28	H	32.1	Very low	32.4	Very low	183 Å²	183	166 Å²	166	85%	0.847	81%	0.809	S	S	*	*			cis	68.6	100.2	27.3	-79.7	-46.4	0	0	0	118.3
29	K	35.1	Very low	32.2	Very low	187 Å²	187	162.7 Å²	162.7	81%	0.813	81%	0.811	S	S	*	*				-155.4	151.4	120.3	-134.8	173.9	-179.1	-178.8	0	112.5
30	K	35.7	Very low	32.1	Very low	192 Å²	192	159.3 Å²	159.3	84%	0.835	81%	0.806	S	S	*	*			trans	-127.4	153.7	172	-74.2	-176.2	175.6	-176.4	0	108.8
31	H	37.2	Very low	32	Very low	153 Å²	153	163.6 Å²	163.6	71%	0.708	81%	0.808	S	S	*	*			trans	-148.9	146.6	150	-76.9	-64.5	0	0	0	107.9
32	K	30.9	Very low	31.9	Very low	180 Å²	180	158.9 Å²	158.9	78%	0.783	79%	0.792	S	S	*	*			cis	-137.4	140.9	-7	-108.6	172.4	176.5	177.8	0	107
33	K	30.9	Very low	31.8	Very low	183 Å²	183	159.5 Å²	159.5	80%	0.796	79%	0.787	S	S	*	*				46.3	121.9	101.1	-67.4	-162.5	172.4	-169.1	0	114.1
34	S	30	Very low	31.8	Very low	100 Å²	100	158.7 Å²	158.7	70%	0.699	79%	0.786	S	S	*	*				63.4	140.1	55.1	89.3	0	0	0	0	112.2
35	S	30.1	Very low	31.9	Very low	101 Å²	101	155.5 Å²	155.5	71%	0.706	78%	0.782	S	S	*	*			cis	-177.3	154.7	20.9	42.9	0	0	0	0	111.5
36	T	28.4	Very low	32	Very low	152 Å²	152	159 Å²	159	93%	0.933	78%	0.782	S	S	*	*			trans	-178.9	167.7	143.9	25.1	0	0	0	0	108.4
37	G	29.5	Very low	31.8	Very low	72 Å²	72	158.5 Å²	158.5	74%	0.742	78%	0.78	S	S	*	*			cis	141.3	130.5	2	0	0	0	0	0	109.7
38	K	33.7	Very low	31.7	Very low	208 Å²	208	158.9 Å²	158.9	90%	0.904	78%	0.782	S	S	*	*			trans	-87.2	135.7	-172.3	-64.5	178.5	178.7	179.3	0	113.8
39	T	29.9	Very low	31.6	Very low	131 Å²	131	157 Å²	157	80%	0.804	77%	0.774	S	S	*	*			trans	-174.3	140.7	140.5	25.7	0	0	0	0	106.1
40	E	29.9	Very low	31.6	Very low	167 Å²	167	158.1 Å²	158.1	78%	0.78	78%	0.778	S	S	*	*			cis	101.7	142.1	36.6	-168.3	173.8	-117.4	0	0	112.3
41	K	31.8	Very low	31.3	Very low	181 Å²	181	157.8 Å²	157.8	79%	0.787	78%	0.777	S	S	*	*			trans	75.6	143	-172.3	-56.6	-176.1	-178.3	178.5	0	115.2
42	D	30.8	Very low	31.1	Very low	111 Å²	111	155.3 Å²	155.3	59%	0.594	78%	0.783	S	S	*	*			cis	-156.6	-179.6	-19.9	-130.9	-55.4	0	0	0	111.1
43	R	31.1	Very low	31.4	Very low	195 Å²	195	157 Å²	157	74%	0.736	79%	0.79	S	S	*	*			trans	-15.9	144	162.9	-63.1	148.5	-143.9	-132.1	0.3	116.9
44	H	32	Very low	31.4	Very low	168 Å²	168	157.2 Å²	157.2	78%	0.778	79%	0.791	S	S	*	*			cis	-159.8	-155.2	7	-114.5	-11.9	0	0	0	109.4
45	V	31	Very low	31.5	Very low	122 Å²	122	161.5 Å²	161.5	74%	0.739	79%	0.792	S	S	*	*			cis	-155.9	-161.3	18.5	77.8	0	0	0	0	112.3
46	H	32.7	Very low	32.5	Very low	163 Å²	163	162.3 Å²	162.3	76%	0.755	80%	0.795	S	S	*	*			trans	-80.1	164.7	-180	-64.9	-34.1	0	0	0	114.2
47	K	30.6	Very low	32.6	Very low	186 Å²	186	162 Å²	162	81%	0.809	78%	0.782	S	S	*	*			cis	-148.5	141.4	45.4	-76.6	170.8	177.1	163.8	0	116
48	K	32.2	Very low	32.5	Very low	202 Å²	202	169.4 Å²	169.4	88%	0.878	79%	0.788	S	S	*	*			trans	-89.2	154.1	144.1	-68.1	176.6	177.5	174.5	0	108.9
49	Q	31.2	Very low	32.2	Very low	143 Å²	143	164.7 Å²	164.7	67%	0.668	78%	0.777	S	S	*	*			trans	-134.7	109.8	149.9	-77.3	-159.4	-3.7	0	0	111.1
50	K	33.3	Very low	32.2	Very low	210 Å²	210	162.3 Å²	162.3	91%	0.913	77%	0.766	S	S	*	*			trans	-76.4	143.3	139	-77	-173.2	173.2	-174	0	106.7
51	K	31.2	Very low	32.2	Very low	186 Å²	186	162.4 Å²	162.4	81%	0.809	77%	0.766	S	S	*	*			trans	-113.5	122	157.7	-81.4	-176.7	179.1	173.9	0	108.8
52	A	32.4	Very low	32.2	Very low	100 Å²	100	158 Å²	158	83%	0.826	76%	0.758	S	S	*	*			trans	-138.8	135	161.8	0	0	0	0	0	106.5
53	K	35.9	Very low	32.1	Very low	215 Å²	215	157.9 Å²	157.9	94%	0.935	76%	0.761	S	S	*	*			trans	-116.9	126.5	174.5	-94.5	-169.3	170.8	-172	0	110
54	K	32.7	Very low	32.1	Very low	189 Å²	189	154.1 Å²	154.1	82%	0.822	76%	0.756	S	S	*	*			trans	-60.3	166.1	157.8	-63.3	178.2	175.3	178.4	0	109.1
55	R	31.6	Very low	32	Very low	190 Å²	190	153.9 Å²	153.9	72%	0.717	76%	0.755	S	S	*	*			cis	-171.8	-162.4	-2.9	-118.3	-175.5	169.7	-167.4	-6.1	105.6	H57	R55-H57 PolarHBondContact NH2-NE2 2.58Å
56	P	50.4	Low	31.9	Very low	117 Å²	117	152.2 Å²	152.2	76%	0.76	75%	0.749	S	S	*	*			cis	-131.9	-165.2	2.5	33.1	-8.6	0	0	0	115.7
57	H	30	Very low	31.8	Very low	145 Å²	145	151.9 Å²	151.9	67%	0.671	75%	0.753	S	S	*	*			trans	-71.4	157	-174.4	-61.1	-112.5	0	0	0	116.8	R55	R55-H57 PolarHBondContact NH2-NE2 2.58Å
58	R	27.7	Very low	31.8	Very low	228 Å²	228	147.3 Å²	147.3	86%	0.86	75%	0.75	S	S	*	*				-145.4	130.7	125.1	-109	-167.4	159.4	162.2	-5.8	107.5
59	T	28.5	Very low	32.7	Very low	110 Å²	110	143.1 Å²	143.1	68%	0.675	74%	0.743	S	S	*	*				52.5	134.9	97	70	0	0	0	0	113.8
60	S	29.8	Very low	32.7	Very low	81 Å²	81	144 Å²	144	57%	0.566	75%	0.747	S	S	*	*			cis	-173.8	178	-2.8	35	0	0	0	0	109.1
61	E	29.1	Very low	32.5	Very low	169 Å²	169	140.2 Å²	140.2	79%	0.79	74%	0.737	S	S	*	*			trans	65	154.7	160.1	-75.7	122.9	175.9	0	0	118.7
62	S	31	Very low	32.4	Very low	87 Å²	87	136.4 Å²	136.4	61%	0.608	74%	0.74	S	S	*	*			cis	-164.5	165.8	-21.1	55.4	0	0	0	0	110.8
63	T	30.4	Very low	32.2	Very low	109 Å²	109	141 Å²	141	67%	0.669	74%	0.742	S	S	*	*			trans	47.1	139.9	139.2	57.9	0	0	0	0	121.4
64	N	30	Very low	31.7	Very low	117 Å²	117	138.1 Å²	138.1	63%	0.626	74%	0.736	S	S	*	*			cis	-164.9	177.1	-2.6	-114.8	16	0	0	0	110.2
65	E	29.8	Very low	31.5	Very low	162 Å²	162	137.6 Å²	137.6	76%	0.757	73%	0.733	S	S	*	*			trans	23.8	148.7	136.9	-62.6	158.1	162.4	0	0	121.4
66	S	29.7	Very low	31.2	Very low	88 Å²	88	136 Å²	136	62%	0.615	74%	0.738	S	S	*	*			cis	-169.8	178.2	-10.3	51.8	0	0	0	0	110.7
67	D	30.7	Very low	30.1	Very low	155 Å²	155	135.5 Å²	135.5	83%	0.829	74%	0.738	S	S	*	*			trans	71.7	159.2	152.6	-53.6	-42.4	0	0	0	121.9
68	A	30.2	Very low	30.2	Very low	91 Å²	91	137.1 Å²	137.1	75%	0.752	75%	0.745	S	S	*	*			trans	-150.6	-177.8	179.4	0	0	0	0	0	106.6
69	P	51.4	Low	30.3	Very low	113 Å²	113	133.3 Å²	133.3	73%	0.734	74%	0.742	S	S	*	*			cis	-137.2	-167.9	1	41.3	-21.6	0	0	0	115.1
70	E	30.6	Very low	30.4	Very low	161 Å²	161	133.7 Å²	133.7	75%	0.752	75%	0.748	S	S	*	*			trans	77.2	132.4	151.4	-72.2	-145.7	124.7	0	0	124.2
71	N	28.7	Very low	30.3	Very low	131 Å²	131	133.3 Å²	133.3	70%	0.701	76%	0.757	S	S	*	*			trans	53.2	101.6	138.4	-61.6	-34.6	0	0	0	122.8
72	A	29.2	Very low	31.1	Very low	107 Å²	107	133.8 Å²	133.8	88%	0.884	76%	0.764	S	S	*	*			trans	-164.5	171.4	132.6	0	0	0	0	0	112.5
73	K	27.9	Very low	31.6	Very low	197 Å²	197	132.8 Å²	132.8	86%	0.857	76%	0.757	S	S	*	*			trans	-112.3	158.8	-179.8	-73.2	178.7	176.7	172	0	112.9
74	L	26.4	Very low	32	Very low	154 Å²	154	131.7 Å²	131.7	81%	0.806	75%	0.754	S	S	*	*			trans	90.9	126.3	148.3	-79.9	158.3	0	0	0	122.2
75	K	27.4	Very low	32.5	Very low	178 Å²	178	134.4 Å²	134.4	77%	0.774	76%	0.76	S	S	*	*			trans	93.1	112.7	147	-71.3	-175.2	176.8	-179.1	0	122.6
76	L	26.3	Very low	32.9	Very low	157 Å²	157	134.7 Å²	134.7	82%	0.822	76%	0.759	S	S	*	*			trans	55.3	118.1	137.7	-80	78.8	0	0	0	121.9
77	S	27.8	Very low	33.7	Very low	106 Å²	106	133.7 Å²	133.7	74%	0.741	75%	0.749	S	S	*	*				-170.7	117.2	102.7	52.7	0	0	0	0	110.7
78	Q	32.5	Very low	34.2	Very low	179 Å²	179	131 Å²	131	84%	0.836	73%	0.732	S	S	*	*				77.2	112.4	103.5	-73	-168.8	-22	0	0	117.8
79	N	28.6	Very low	35	Very low	147 Å²	147	132.9 Å²	132.9	79%	0.786	73%	0.728	S	S	*	*			trans	-179.3	102.7	131.5	-94.5	-14.8	0	0	0	107.6
80	C	30.7	Very low	34.6	Very low	118 Å²	118	133.7 Å²	133.7	80%	0.797	72%	0.723	S	S	*	*				72.5	126	85.7	82.4	0	0	0	0	113.5
81	G	28.6	Very low	35	Very low	73 Å²	73	131.7 Å²	131.7	75%	0.753	71%	0.714	S	S	*	*			cis	-167.1	167.2	-4.5	0	0	0	0	0	112
82	L	44.4	Very low	35.6	Very low	179 Å²	179	133.1 Å²	133.1	94%	0.937	71%	0.714	S	S	*	*			trans	-135.6	155.4	178.1	-76.7	173.1	0	0	0	110.6
83	S	43.4	Very low	36.2	Very low	66 Å²	66	132.3 Å²	132.3	46%	0.462	71%	0.707	S	S	.	*			trans	71.1	151.1	177	-169.3	0	0	0	0	117.2	T87	S83-T87 WeakPolarHBondContact OG-CG2 3.18Å; S83-T87 PolarHBondContact OG-N 3.45Å; S83-T87 VanDerWaalsContact OG-N 3.09Å; S83-T87 PolarHBondContact OG-OG1 2.68Å
84	S	38.1	Very low	36.7	Very low	87 Å²	87	127.8 Å²	127.8	61%	0.608	70%	0.701	S	S	*	*	S	Bend	trans	-143.3	-61.1	153.8	166.3	0	0	0	0	107.7	F86 T87 E88	S84-F86 PolarHBondContact O-N 3.45Å; S84-T87 PolarHBondContact O-OG1 3.27Å; S84-E88 PolarHBondContact O-N 2.92Å
85	K	40.4	Very low	37.3	Very low	174 Å²	174	130.2 Å²	130.2	76%	0.757	70%	0.699	S	S	*	*	H	α-helix	trans	-71.5	-25.7	-176.9	-65.9	-169.1	174.5	-172.8	0	116.3
86	F	37.7	Very low	37.6	Very low	167 Å²	167	129.5 Å²	129.5	73%	0.732	70%	0.704	S	S	*	*	H	α-helix	trans	-79.6	-36.6	-179.3	-162.2	-99.8	0	0	0	112	S84	S84-F86 PolarHBondContact O-N 3.45Å
87	T	46.1	Very low	38.1	Very low	67 Å²	67	126 Å²	126	41%	0.411	71%	0.705	S	S	.	*	H	α-helix	trans	-70.1	-30.5	175.2	33.4	0	0	0	0	113.5	S83 S84 I89 M90 Q91	S83-T87 WeakPolarHBondContact OG-CG2 3.18Å; S83-T87 PolarHBondContact OG-N 3.45Å; S83-T87 VanDerWaalsContact OG-N 3.09Å; S83-T87 PolarHBondContact OG-OG1 2.68Å; S84-T87 PolarHBondContact O-OG1 3.27Å; T87-I89 PolarHBondContact O-N 3.28Å; T87-M90 PolarHBondContact O-N 3.07Å; T87-Q91 WeakPolarHBondContact O-CB 3.28Å; T87-Q91 WeakPolarHBondContact O-CG 3.42Å; T87-Q91 PolarHBondContact O-N 2.94Å
88	E	41.2	Very low	38.4	Very low	100 Å²	100	125.6 Å²	125.6	47%	0.467	71%	0.708	S	S	.	*	H	α-helix	trans	-66.4	-37.3	-177.8	-166	-177.8	170.7	0	0	112.7	S84 K92	S84-E88 PolarHBondContact O-N 2.92Å; E88-K92 PolarHBondContact O-N 2.97Å; E88-K92 IonicContact OE1-NZ 2.63Å
89	I	47	Very low	38.8	Very low	129 Å²	129	124.8 Å²	124.8	66%	0.662	71%	0.71	S	S	*	*	H	α-helix	trans	-66.2	-48.3	176.2	-61	174.6	0	0	0	110.2	T87 Q91 K92 A93	T87-I89 PolarHBondContact O-N 3.28Å; I89-Q91 VanDerWaalsContact C-N 3.33Å; I89-Q91 PolarHBondContact O-N 2.85Å; I89-K92 PolarHBondContact O-N 3.21Å; I89-A93 PolarHBondContact O-N 3.44Å
90	M	43.3	Very low	38.8	Very low	130 Å²	130	127.6 Å²	127.6	64%	0.64	72%	0.715	S	S	*	*	H	α-helix	trans	-63.9	-34.9	178.2	-66.9	-68.9	-76.8	0	0	112.6	T87 A93	T87-M90 PolarHBondContact O-N 3.07Å; M90-A93 PolarHBondContact O-N 3.47Å
91	Q	40.2	Very low	39.1	Very low	120 Å²	120	133.1 Å²	133.1	56%	0.561	72%	0.719	S	S	*	*	H	α-helix	trans	-72.6	-27.8	177.8	-79.4	-173.4	-21.1	0	0	113.8	T87 I89 A93 S94	T87-Q91 WeakPolarHBondContact O-CB 3.28Å; T87-Q91 WeakPolarHBondContact O-CG 3.42Å; T87-Q91 PolarHBondContact O-N 2.94Å; I89-Q91 VanDerWaalsContact C-N 3.33Å; I89-Q91 PolarHBondContact O-N 2.85Å; Q91-A93 VanDerWaalsContact C-N 3.34Å; Q91-S94 PolarHBondContact O-N 3.47Å
92	K	40.7	Very low	39.2	Very low	160 Å²	160	137 Å²	137	70%	0.696	73%	0.728	S	S	*	*	H	α-helix	trans	-69.6	-30	172.9	-82.1	177.2	175.4	164.4	0	112.7	E88 I89 S94	E88-K92 PolarHBondContact O-N 2.97Å; E88-K92 IonicContact OE1-NZ 2.63Å; I89-K92 PolarHBondContact O-N 3.21Å; K92-S94 VanDerWaalsContact C-N 3.28Å; K92-S94 PolarHBondContact O-N 3.37Å
93	A	41.4	Very low	38.6	Very low	91 Å²	91	131 Å²	131	75%	0.752	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	-15.9	174.7	0	0	0	0	0	114.2	I89 M90 Q91	I89-A93 PolarHBondContact O-N 3.44Å; M90-A93 PolarHBondContact O-N 3.47Å; Q91-A93 VanDerWaalsContact C-N 3.34Å
94	S	37.7	Very low	38.3	Very low	102 Å²	102	137.3 Å²	137.3	71%	0.713	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.6	11.3	-169	-170.2	0	0	0	0	115.1	Q91 K92	Q91-S94 PolarHBondContact O-N 3.47Å; K92-S94 VanDerWaalsContact C-N 3.28Å; K92-S94 PolarHBondContact O-N 3.37Å
95	R	39.4	Very low	38.2	Very low	204 Å²	204	139 Å²	139	77%	0.77	74%	0.737	S	S	*	*	S	Bend	trans	-105.4	-10.5	-174.6	-86.7	-175	170.6	167.9	-0.2	116.7
96	N	34.8	Very low	38.1	Very low	164 Å²	164	138.3 Å²	138.3	88%	0.877	74%	0.741	S	S	*	*			trans	-105.9	80.5	173.3	-71.8	11.9	0	0	0	110
97	G	35.9	Very low	38.1	Very low	82 Å²	82	137.8 Å²	137.8	85%	0.845	75%	0.745	S	S	*	*			trans	-87	113.5	172.1	0	0	0	0	0	111.4
98	A	34.1	Very low	37.9	Very low	98 Å²	98	139.9 Å²	139.9	81%	0.81	76%	0.76	S	S	*	*			trans	-151.3	139.7	165.2	0	0	0	0	0	108.7	F100	A98-F100 PolarHBondContact O-N 2.84Å
99	D	40.5	Very low	38.1	Very low	163 Å²	163	142.1 Å²	142.1	87%	0.872	78%	0.781	S	S	*	*			trans	-64	131.3	-177.4	-68	-72.2	0	0	0	112.4
100	F	30.1	Very low	38.4	Very low	206 Å²	206	140.2 Å²	140.2	90%	0.904	77%	0.772	S	S	*	*			trans	-136.8	125	156.9	-119.6	-88.9	0	0	0	111.8	A98	A98-F100 PolarHBondContact O-N 2.84Å
101	R	35.5	Very low	38.7	Very low	233 Å²	233	138.7 Å²	138.7	88%	0.879	77%	0.772	S	S	*	*			trans	-70.4	143.4	173	-61.6	177.3	-179.8	-178.3	-0.7	108.9	G103	R101-G103 PolarHBondContact O-N 3.28Å
102	V	32	Very low	39.4	Very low	155 Å²	155	136.8 Å²	136.8	94%	0.939	77%	0.772	S	S	*	*			trans	-74.7	73.4	168.5	-173	0	0	0	0	109.6
103	G	30.4	Very low	39.8	Very low	53 Å²	53	132.8 Å²	132.8	55%	0.546	76%	0.764	S	S	.	*	P	Polyproline II helix	trans	-78.2	142.2	155.4	0	0	0	0	0	109	R101 P105	R101-G103 PolarHBondContact O-N 3.28Å; G103-P105 VanDerWaalsContact O-CD 3.29Å; G103-P105 WeakPolarHBondContact O-CD 3.46Å
104	K	38.2	Very low	40.2	Very low	199 Å²	199	133.7 Å²	133.7	87%	0.865	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-66.6	121.6	170.9	-67.1	-178.8	178.2	-177.6	0	109.1
105	P	34.8	Very low	41.5	Very low	121 Å²	121	133.1 Å²	133.1	79%	0.786	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-68.4	139.4	160.9	-10.2	27.7	0	0	0	108.3	G103	G103-P105 VanDerWaalsContact O-CD 3.29Å; G103-P105 WeakPolarHBondContact O-CD 3.46Å
106	L	39.1	Very low	42.5	Very low	161 Å²	161	128.7 Å²	128.7	84%	0.843	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-75	143.6	162	-77.3	77.7	0	0	0	108.1
107	L	37.4	Very low	43.5	Very low	155 Å²	155	127 Å²	127	81%	0.812	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-67.1	137.9	166	-73.2	166.4	0	0	0	109.1	T109	L107-T109 PolarHBondContact O-N 3.05Å
108	P	41.8	Very low	44.6	Very low	111 Å²	111	127.4 Å²	127.4	72%	0.721	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-60	128.8	169.3	-21.6	33.4	0	0	0	110.5	D110	P108-D110 VanDerWaalsContact C-N 3.27Å; P108-D110 PolarHBondContact O-N 3.43Å
109	T	46.9	Very low	45.9	Very low	148 Å²	148	125.6 Å²	125.6	91%	0.908	68%	0.683	S	S	*	*	S	Bend	trans	-91.5	30.3	-175.1	56.6	0	0	0	0	113.3	L107	L107-T109 PolarHBondContact O-N 3.05Å
110	D	52.7	Low	46.5	Very low	89 Å²	89	122.9 Å²	122.9	48%	0.476	66%	0.664	S	S	.	*			trans	-127.3	114.1	179.8	-169.5	-30.6	0	0	0	109.9	P108 S112	P108-D110 VanDerWaalsContact C-N 3.27Å; P108-D110 PolarHBondContact O-N 3.43Å; D110-S112 PolarHBondContact O-N 3.47Å; D110-S112 WeakPolarHBondContact OD1-CB 3.43Å; D110-S112 PolarHBondContact OD1-N 3.07Å; D110-S112 PolarHBondContact OD1-OG 3.31Å
111	P	49.7	Very low	47.3	Very low	97 Å²	97	116.9 Å²	116.9	63%	0.63	64%	0.644	S	S	*	*	H	α-helix	trans	-66.8	-21.9	-177.5	28.3	-35.2	0	0	0	113.2	S113 L114 V115	P111-S113 PolarHBondContact O-N 3.26Å; P111-L114 PolarHBondContact O-N 3.22Å; P111-V115 WeakPolarHBondContact O-CG2 3.48Å; P111-V115 PolarHBondContact O-N 3.34Å
112	S	53.8	Low	48.1	Very low	81 Å²	81	111.1 Å²	111.1	57%	0.566	63%	0.629	S	S	*	*	H	α-helix	trans	-65	-41.3	-173.5	-38.3	0	0	0	0	111.9	D110 E116	D110-S112 PolarHBondContact O-N 3.47Å; D110-S112 WeakPolarHBondContact OD1-CB 3.43Å; D110-S112 PolarHBondContact OD1-N 3.07Å; D110-S112 PolarHBondContact OD1-OG 3.31Å; S112-E116 PolarHBondContact O-N 3.03Å
113	S	49.4	Very low	48.7	Very low	76 Å²	76	110.1 Å²	110.1	53%	0.531	62%	0.615	S	S	.	*	H	α-helix	trans	-67.6	-38.7	179.4	-166.7	0	0	0	0	112	P111 E116 E117	P111-S113 PolarHBondContact O-N 3.26Å; S113-E116 PolarHBondContact O-N 3.22Å; S113-E117 PolarHBondContact O-N 3.3Å; S113-E117 VanDerWaalsContact O-N 3.07Å
114	L	49.9	Very low	49.3	Very low	109 Å²	109	114.4 Å²	114.4	57%	0.571	63%	0.625	S	S	*	*	H	α-helix	trans	-66.2	-39.9	-179.8	-161.9	79.1	0	0	0	111.7	P111 E117 I118	P111-L114 PolarHBondContact O-N 3.22Å; L114-E117 PolarHBondContact O-N 3.38Å; L114-I118 HydrophobicContact CG-CD1 4.21Å; L114-I118 WeakPolarHBondContact O-CD1 3.45Å; L114-I118 VanDerWaalsContact O-CG1 3.27Å; L114-I118 WeakPolarHBondContact O-CG1 3.49Å; L114-I118 PolarHBondContact O-N 3.13Å
115	V	65.4	Low	49.5	Very low	90 Å²	90	113.1 Å²	113.1	55%	0.545	62%	0.62	S	S	.	*	H	α-helix	trans	-62	-44.1	174.1	173.7	0	0	0	0	110.5	P111 E117 I118 T119	P111-V115 WeakPolarHBondContact O-CG2 3.48Å; P111-V115 PolarHBondContact O-N 3.34Å; V115-E117 PolarHBondContact O-N 3.49Å; V115-I118 PolarHBondContact O-N 3.28Å; V115-T119 WeakPolarHBondContact O-CB 3.5Å; V115-T119 PolarHBondContact O-N 3.35Å; V115-T119 PolarHBondContact O-OG1 3.16Å
116	E	61.3	Low	49.5	Very low	111 Å²	111	115.6 Å²	115.6	52%	0.519	62%	0.623	S	S	.	*	H	α-helix	trans	-64.8	-38.1	-179.1	-145.3	-163.7	-139.9	0	0	112.7	S112 S113 T119 K120	S112-E116 PolarHBondContact O-N 3.03Å; S113-E116 PolarHBondContact O-N 3.22Å; E116-T119 PolarHBondContact O-N 2.94Å; E116-K120 VanDerWaalsContact CD-NZ 3.33Å; E116-K120 WeakPolarHBondContact O-CB 3.46Å; E116-K120 WeakPolarHBondContact O-CD 3.42Å; E116-K120 VanDerWaalsContact O-CG 3.28Å; E116-K120 WeakPolarHBondContact O-CG 3.39Å; E116-K120 PolarHBondContact O-N 2.77Å; E116-K120 IonicContact OE1-NZ 3.97Å; E116-K120 IonicContact OE2-NZ 2.58Å; E116-K120 PolarHBondContact OE2-NZ 3.48Å
117	E	54.7	Low	49.3	Very low	128 Å²	128	115.8 Å²	115.8	60%	0.598	62%	0.624	S	S	*	*	H	α-helix	trans	-67.5	-39.5	175.3	-170.1	166.9	-139.9	0	0	112.2	S113 L114 V115 T121	S113-E117 PolarHBondContact O-N 3.3Å; S113-E117 VanDerWaalsContact O-N 3.07Å; L114-E117 PolarHBondContact O-N 3.38Å; V115-E117 PolarHBondContact O-N 3.49Å; E117-T121 WeakPolarHBondContact O-CB 3.27Å; E117-T121 PolarHBondContact O-N 3.25Å; E117-T121 PolarHBondContact O-OG1 3.17Å
118	I	58.4	Low	49.3	Very low	91 Å²	91	113.7 Å²	113.7	47%	0.467	62%	0.619	S	S	.	*	H	α-helix	trans	-66	-45	173.2	-69.1	166.6	0	0	0	110.8	L114 V115 K120 T121 I122	L114-I118 HydrophobicContact CG-CD1 4.21Å; L114-I118 WeakPolarHBondContact O-CD1 3.45Å; L114-I118 VanDerWaalsContact O-CG1 3.27Å; L114-I118 WeakPolarHBondContact O-CG1 3.49Å; L114-I118 PolarHBondContact O-N 3.13Å; V115-I118 PolarHBondContact O-N 3.28Å; I118-K120 PolarHBondContact O-N 2.63Å; I118-T121 WeakPolarHBondContact O-CB 3.27Å; I118-T121 PolarHBondContact O-N 2.99Å; I118-T121 VanDerWaalsContact O-N 3.09Å; I118-I122 HydrophobicContact CG2-CD1 3.82Å; I118-I122 WeakPolarHBondContact O-CG1 3.29Å; I118-I122 PolarHBondContact O-N 3.02Å
119	T	61.7	Low	48.7	Very low	61 Å²	61	114.9 Å²	114.9	37%	0.374	62%	0.624	S	S	.	*	H	α-helix	trans	-61.5	-43.8	177.4	-59.8	0	0	0	0	111.8	V115 E116 T121 I122 Q123	V115-T119 WeakPolarHBondContact O-CB 3.5Å; V115-T119 PolarHBondContact O-N 3.35Å; V115-T119 PolarHBondContact O-OG1 3.16Å; E116-T119 PolarHBondContact O-N 2.94Å; T119-T121 VanDerWaalsContact C-N 3.27Å; T119-T121 PolarHBondContact O-N 3.03Å; T119-I122 PolarHBondContact O-N 3.09Å; T119-Q123 HydrophobicContact CG2-CG 4.46Å; T119-Q123 WeakPolarHBondContact O-CG 3.32Å; T119-Q123 PolarHBondContact O-N 2.87Å
120	K	53	Low	47.9	Very low	105 Å²	105	115.8 Å²	115.8	46%	0.457	62%	0.623	S	S	.	*	H	α-helix	trans	-60.6	-35.4	173.1	-74.9	163.6	179.6	166.9	0	112.1	E116 I118 N124	E116-K120 VanDerWaalsContact CD-NZ 3.33Å; E116-K120 WeakPolarHBondContact O-CB 3.46Å; E116-K120 WeakPolarHBondContact O-CD 3.42Å; E116-K120 VanDerWaalsContact O-CG 3.28Å; E116-K120 WeakPolarHBondContact O-CG 3.39Å; E116-K120 PolarHBondContact O-N 2.77Å; E116-K120 IonicContact OE1-NZ 3.97Å; E116-K120 IonicContact OE2-NZ 2.58Å; E116-K120 PolarHBondContact OE2-NZ 3.48Å; I118-K120 PolarHBondContact O-N 2.63Å; K120-N124 WeakPolarHBondContact O-CB 3.27Å; K120-N124 PolarHBondContact O-N 2.86Å; K120-N124 PolarHBondContact O-ND2 3.3Å
121	T	47.2	Very low	46.8	Very low	80 Å²	80	120.6 Å²	120.6	49%	0.491	64%	0.642	S	S	.	*	H	α-helix	trans	-72.9	-30.6	177.4	-58.1	0	0	0	0	112.9	E117 I118 T119	E117-T121 WeakPolarHBondContact O-CB 3.27Å; E117-T121 PolarHBondContact O-N 3.25Å; E117-T121 PolarHBondContact O-OG1 3.17Å; I118-T121 WeakPolarHBondContact O-CB 3.27Å; I118-T121 PolarHBondContact O-N 2.99Å; I118-T121 VanDerWaalsContact O-N 3.09Å; T119-T121 VanDerWaalsContact C-N 3.27Å; T119-T121 PolarHBondContact O-N 3.03Å
122	I	52.7	Low	46	Very low	112 Å²	112	122.7 Å²	122.7	57%	0.574	65%	0.653	S	S	*	*	H	α-helix	trans	-76.5	-46.1	175.7	-68.7	167.3	0	0	0	110.9	I118 T119 N124 K125	I118-I122 HydrophobicContact CG2-CD1 3.82Å; I118-I122 WeakPolarHBondContact O-CG1 3.29Å; I118-I122 PolarHBondContact O-N 3.02Å; T119-I122 PolarHBondContact O-N 3.09Å; I122-N124 VanDerWaalsContact C-N 3.3Å; I122-N124 PolarHBondContact O-N 3.3Å; I122-K125 PolarHBondContact O-N 2.95Å; I122-K125 VanDerWaalsContact O-N 3.13Å
123	Q	44.1	Very low	44.7	Very low	134 Å²	134	123.6 Å²	123.6	63%	0.626	67%	0.666	S	S	*	*	H	α-helix	trans	-60.9	-37.7	179.6	-74.1	177.9	-20.3	0	0	112.4	T119 K125 M126	T119-Q123 HydrophobicContact CG2-CG 4.46Å; T119-Q123 WeakPolarHBondContact O-CG 3.32Å; T119-Q123 PolarHBondContact O-N 2.87Å; Q123-K125 PolarHBondContact O-N 3.19Å; Q123-M126 PolarHBondContact O-N 3.36Å
124	N	43.7	Very low	43.7	Very low	143 Å²	143	125.2 Å²	125.2	77%	0.765	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	6.2	177.2	-77.4	-49	0	0	0	115.3	K120 I122	K120-N124 WeakPolarHBondContact O-CB 3.27Å; K120-N124 PolarHBondContact O-N 2.86Å; K120-N124 PolarHBondContact O-ND2 3.3Å; I122-N124 VanDerWaalsContact C-N 3.3Å; I122-N124 PolarHBondContact O-N 3.3Å
125	K	41.2	Very low	42.6	Very low	173 Å²	173	125.2 Å²	125.2	75%	0.752	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.6	-0.9	176.2	-78	-174.9	176	178.1	0	115.2	I122 Q123 L127	I122-K125 PolarHBondContact O-N 2.95Å; I122-K125 VanDerWaalsContact O-N 3.13Å; Q123-K125 PolarHBondContact O-N 3.19Å; K125-L127 PolarHBondContact O-N 3.48Å
126	M	36.4	Very low	40.8	Very low	172 Å²	172	126.2 Å²	126.2	85%	0.847	70%	0.697	S	S	*	*			trans	-85.5	110.7	169.8	-60.8	-160.6	83	0	0	110.2	Q123	Q123-M126 PolarHBondContact O-N 3.36Å
127	L	33.1	Very low	39.4	Very low	165 Å²	165	125.6 Å²	125.6	86%	0.864	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-86.6	154.3	169	-80.7	172.9	0	0	0	110.8	K125	K125-L127 PolarHBondContact O-N 3.48Å
128	P	37.5	Very low	38.3	Very low	112 Å²	112	128.5 Å²	128.5	73%	0.727	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-82.1	157.1	-157	31.7	-37.4	0	0	0	115
129	V	30.6	Very low	37	Very low	135 Å²	135	129 Å²	129	82%	0.818	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-63.9	145.5	162.9	177.8	0	0	0	0	109.9
130	L	30.6	Very low	35.5	Very low	167 Å²	167	132.8 Å²	132.8	87%	0.874	75%	0.748	S	S	*	*			trans	-124.9	144.6	165.3	-98.7	168.7	0	0	0	110
131	E	29.1	Very low	34.4	Very low	190 Å²	190	133.9 Å²	133.9	89%	0.888	76%	0.763	S	S	*	*			trans	-82.7	170.8	-170.5	-67	-179.2	107.3	0	0	114.2
132	V	31.3	Very low	33.9	Very low	141 Å²	141	135.8 Å²	135.8	86%	0.855	78%	0.777	S	S	*	*			trans	-93.7	138.9	-166.9	176.3	0	0	0	0	112.5
133	A	27.5	Very low	32.9	Very low	101 Å²	101	135.1 Å²	135.1	84%	0.835	79%	0.788	S	S	*	*			trans	-134.1	103.2	161.8	0	0	0	0	0	111
134	S	27.6	Very low	32.3	Very low	109 Å²	109	136.7 Å²	136.7	76%	0.762	80%	0.801	S	S	*	*			trans	-42.2	140.8	-177	53.1	0	0	0	0	119.7
135	S	28.2	Very low	31.8	Very low	110 Å²	110	134.6 Å²	134.6	77%	0.769	80%	0.804	S	S	*	*				-168.6	137.7	112.7	52.9	0	0	0	0	113.7
136	S	26.9	Very low	31.3	Very low	110 Å²	110	130.7 Å²	130.7	77%	0.769	80%	0.803	S	S	*	*			trans	1.8	142	157.7	51.4	0	0	0	0	120.6
137	S	31.7	Very low	31.3	Very low	99 Å²	99	126.2 Å²	126.2	69%	0.692	79%	0.789	S	S	*	*			cis	-170.1	152.1	4.2	45	0	0	0	0	112
138	E	32.4	Very low	31.7	Very low	188 Å²	188	123.2 Å²	123.2	88%	0.879	78%	0.779	S	S	*	*			trans	26.7	128.9	148.4	-58.2	169.5	144.1	0	0	119.4
139	S	30.4	Very low	31.5	Very low	103 Å²	103	123.5 Å²	123.5	72%	0.72	77%	0.774	S	S	*	*			cis	-139.7	-156.1	10.5	58.4	0	0	0	0	110.4
140	D	29.6	Very low	31.9	Very low	140 Å²	140	121.9 Å²	121.9	75%	0.749	76%	0.76	S	S	*	*			cis	-158.3	-174.6	12.3	-138.3	-60.4	0	0	0	112.2
141	V	31.6	Very low	32.3	Very low	128 Å²	128	119.4 Å²	119.4	78%	0.776	75%	0.747	S	S	*	*			trans	-105.8	135.7	-170	-174.8	0	0	0	0	114.3
142	P	36.7	Very low	32.5	Very low	119 Å²	119	113.2 Å²	113.2	77%	0.773	72%	0.724	S	S	*	*			trans	-91.7	169.2	174.3	37.4	-35.7	0	0	0	114.1
143	A	30.6	Very low	33	Very low	99 Å²	99	110.5 Å²	110.5	82%	0.818	70%	0.704	S	S	*	*			trans	-121.5	165.7	-179.7	0	0	0	0	0	113.7
144	D	31.3	Very low	33.9	Very low	167 Å²	167	108.9 Å²	108.9	89%	0.893	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-54.2	158.5	-158.1	-62	-61.2	0	0	0	119.9
145	A	33.4	Very low	34.6	Very low	99 Å²	99	110.2 Å²	110.2	82%	0.818	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-102.7	153.2	166.8	0	0	0	0	0	111.7
146	A	31.7	Very low	35.3	Very low	90 Å²	90	110.2 Å²	110.2	74%	0.744	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-79.7	149.3	-177.6	0	0	0	0	0	113.7
147	S	35.8	Very low	36.2	Very low	79 Å²	79	108.7 Å²	108.7	55%	0.552	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-69.6	146	-174.4	-52.5	0	0	0	0	114.3	I149 I150	S147-I149 PolarHBondContact O-N 2.89Å; S147-I149 VanDerWaalsContact O-N 3.11Å; S147-I150 PolarHBondContact O-N 2.95Å
148	P	40.8	Very low	36.9	Very low	101 Å²	101	109.6 Å²	109.6	66%	0.656	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-17.9	-175.2	25.3	-35.2	0	0	0	115.1	I150 L151	P148-I150 PolarHBondContact O-N 3.48Å; P148-I150 VanDerWaalsContact O-N 3.12Å; P148-L151 PolarHBondContact O-N 3.45Å
149	I	34	Very low	37.5	Very low	118 Å²	118	106.1 Å²	106.1	61%	0.605	63%	0.631	S	S	*	*	H	α-helix	trans	-57.3	-26.2	177	-59.3	171	0	0	0	112.1	S147 L151 S152 I153	S147-I149 PolarHBondContact O-N 2.89Å; S147-I149 VanDerWaalsContact O-N 3.11Å; I149-L151 VanDerWaalsContact C-N 3.34Å; I149-S152 PolarHBondContact O-OG 3.47Å; I149-I153 HydrophobicContact CG2-CD1 4.17Å; I149-I153 WeakPolarHBondContact O-CD1 3.38Å; I149-I153 WeakPolarHBondContact O-CG1 3.39Å
150	I	39.8	Very low	38.5	Very low	102 Å²	102	105.7 Å²	105.7	52%	0.523	62%	0.62	S	S	.	*	H	α-helix	trans	-73.3	-26.4	178.1	-64	177.2	0	0	0	111.8	S147 P148 I154	S147-I150 PolarHBondContact O-N 2.95Å; P148-I150 PolarHBondContact O-N 3.48Å; P148-I150 VanDerWaalsContact O-N 3.12Å; I150-I154 HydrophobicContact CG2-CD1 4Å; I150-I154 WeakPolarHBondContact O-CD1 3.33Å; I150-I154 VanDerWaalsContact O-CG1 3.32Å; I150-I154 WeakPolarHBondContact O-CG1 3.22Å
151	L	38.3	Very low	39.7	Very low	115 Å²	115	106.2 Å²	106.2	60%	0.602	62%	0.618	S	S	*	*	H	α-helix	trans	-75.6	-44.8	-177.1	-81.7	159.4	0	0	0	112.7	P148 I149 I153 I154 E155	P148-L151 PolarHBondContact O-N 3.45Å; I149-L151 VanDerWaalsContact C-N 3.34Å; L151-I153 PolarHBondContact O-N 3.4Å; L151-I154 PolarHBondContact O-N 3.29Å; L151-I154 VanDerWaalsContact O-N 3.16Å; L151-E155 PolarHBondContact O-N 3.3Å
152	S	33.3	Very low	41.2	Very low	59 Å²	59	103.6 Å²	103.6	41%	0.413	60%	0.597	S	S	.	*	H	α-helix	trans	-61.7	-42.7	179.5	50.8	0	0	0	0	112.3	I149 I154 E155 D156	I149-S152 PolarHBondContact O-OG 3.47Å; S152-I154 PolarHBondContact O-N 3.11Å; S152-E155 PolarHBondContact O-N 2.98Å; S152-E155 VanDerWaalsContact O-N 3.08Å; S152-D156 PolarHBondContact O-N 3.36Å; S152-D156 VanDerWaalsContact O-N 3.07Å
153	I	42.1	Very low	42.2	Very low	84 Å²	84	103 Å²	103	43%	0.431	59%	0.587	S	S	.	*	H	α-helix	trans	-59.4	-31.5	177.9	-63	171.3	0	0	0	111.9	I149 L151 E157	I149-I153 HydrophobicContact CG2-CD1 4.17Å; I149-I153 WeakPolarHBondContact O-CD1 3.38Å; I149-I153 WeakPolarHBondContact O-CG1 3.39Å; L151-I153 PolarHBondContact O-N 3.4Å; I153-E157 PolarHBondContact O-N 2.89Å; I153-E157 VanDerWaalsContact O-N 3.07Å
154	I	46.2	Very low	44	Very low	68 Å²	68	103.8 Å²	103.8	35%	0.349	58%	0.575	S	S	.	*	H	α-helix	trans	-77.1	-35.7	177.8	-68.2	168	0	0	0	111.4	I150 L151 S152 D156 L158	I150-I154 HydrophobicContact CG2-CD1 4Å; I150-I154 WeakPolarHBondContact O-CD1 3.33Å; I150-I154 VanDerWaalsContact O-CG1 3.32Å; I150-I154 WeakPolarHBondContact O-CG1 3.22Å; L151-I154 PolarHBondContact O-N 3.29Å; L151-I154 VanDerWaalsContact O-N 3.16Å; S152-I154 PolarHBondContact O-N 3.11Å; I154-D156 VanDerWaalsContact C-N 3.34Å; I154-L158 HydrophobicContact CG2-CD1 4.41Å; I154-L158 PolarHBondContact O-N 3.49Å; I154-L158 VanDerWaalsContact O-N 3.15Å
155	E	42	Very low	45.5	Very low	137 Å²	137	101.6 Å²	101.6	64%	0.64	55%	0.554	S	S	*	*	H	α-helix	trans	-65.9	-38.4	175.6	-67.2	-176.5	155.4	0	0	111	L151 S152 N159	L151-E155 PolarHBondContact O-N 3.3Å; S152-E155 PolarHBondContact O-N 2.98Å; S152-E155 VanDerWaalsContact O-N 3.08Å; E155-N159 WeakPolarHBondContact O-CB 3.34Å; E155-N159 PolarHBondContact O-N 3.12Å; E155-N159 VanDerWaalsContact O-N 3.1Å
156	D	42.1	Very low	46.7	Very low	110 Å²	110	101.7 Å²	101.7	59%	0.588	54%	0.538	S	S	*	.	H	α-helix	trans	-70.4	-43.9	173.9	-71.5	-37.5	0	0	0	113.8	S152 I154 L158 N159 L160	S152-D156 PolarHBondContact O-N 3.36Å; S152-D156 VanDerWaalsContact O-N 3.07Å; I154-D156 VanDerWaalsContact C-N 3.34Å; D156-L158 VanDerWaalsContact C-N 3.25Å; D156-L158 PolarHBondContact O-N 3.46Å; D156-N159 PolarHBondContact O-N 3.39Å; D156-L160 PolarHBondContact O-N 3.26Å; D156-L160 VanDerWaalsContact O-N 3.13Å
157	E	47.3	Very low	48	Very low	78 Å²	78	103.7 Å²	103.7	36%	0.364	53%	0.53	S	S	.	.	H	α-helix	trans	-58.4	-37.7	176.1	-82.5	-172.6	176.1	0	0	110.9	I153 K626	I153-E157 PolarHBondContact O-N 2.89Å; I153-E157 VanDerWaalsContact O-N 3.07Å; E157-K626 IonicContact OE1-NZ 3.88Å; E157-K626 PolarHBondContact OE1-NZ 2.92Å
158	L	45.7	Very low	49.3	Very low	117 Å²	117	102.9 Å²	102.9	61%	0.613	53%	0.527	S	S	*	.	H	α-helix	trans	-70.8	-42.8	175.5	-79.2	171.4	0	0	0	113.7	I154 D156 L160 E161 E162	I154-L158 HydrophobicContact CG2-CD1 4.41Å; I154-L158 PolarHBondContact O-N 3.49Å; I154-L158 VanDerWaalsContact O-N 3.15Å; D156-L158 VanDerWaalsContact C-N 3.25Å; D156-L158 PolarHBondContact O-N 3.46Å; L158-L160 VanDerWaalsContact C-N 3.33Å; L158-L160 PolarHBondContact O-N 2.82Å; L158-E161 PolarHBondContact O-N 2.85Å; L158-E162 PolarHBondContact O-N 3.05Å
159	N	45	Very low	50.5	Low	115 Å²	115	103.3 Å²	103.3	62%	0.615	52%	0.524	S	S	*	.	H	α-helix	trans	-66.5	-37.5	-175.2	-154.1	7.4	0	0	0	111.2	E155 D156 L163	E155-N159 WeakPolarHBondContact O-CB 3.34Å; E155-N159 PolarHBondContact O-N 3.12Å; E155-N159 VanDerWaalsContact O-N 3.1Å; D156-N159 PolarHBondContact O-N 3.39Å; N159-L163 VanDerWaalsContact O-CB 3.26Å; N159-L163 WeakPolarHBondContact O-CB 3.33Å; N159-L163 PolarHBondContact O-N 2.88Å
160	L	51.8	Low	51.5	Low	95 Å²	95	102.5 Å²	102.5	50%	0.497	52%	0.52	S	S	.	.	H	α-helix	trans	-68.3	-40.2	178.8	-173.7	57.6	0	0	0	113.3	D156 L158 M164	D156-L160 PolarHBondContact O-N 3.26Å; D156-L160 VanDerWaalsContact O-N 3.13Å; L158-L160 VanDerWaalsContact C-N 3.33Å; L158-L160 PolarHBondContact O-N 2.82Å; L160-M164 HydrophobicContact CD1-CG 4.46Å; L160-M164 WeakPolarHBondContact O-CB 3.43Å; L160-M164 VanDerWaalsContact O-CG 3.24Å; L160-M164 WeakPolarHBondContact O-CG 3.4Å; L160-M164 PolarHBondContact O-N 2.99Å
161	E	54.3	Low	52.3	Low	150 Å²	150	103.9 Å²	103.9	70%	0.701	52%	0.524	S	S	*	.	H	α-helix	trans	-70	-39.6	178.6	-170.9	171	172.9	0	0	111.9	L158 M164 R165	L158-E161 PolarHBondContact O-N 2.85Å; E161-M164 PolarHBondContact O-N 2.9Å; E161-R165 VanDerWaalsContact O-CB 3.23Å; E161-R165 WeakPolarHBondContact O-CB 3.42Å; E161-R165 PolarHBondContact O-N 3.24Å
162	E	64	Low	53.4	Low	74 Å²	74	101.8 Å²	101.8	35%	0.346	52%	0.524	S	S	.	.	H	α-helix	trans	-68.5	-37.9	175.6	-173.9	55.1	-147.7	0	0	111.5	L158 R165 Q166	L158-E162 PolarHBondContact O-N 3.05Å; E162-R165 WeakPolarHBondContact O-CB 3.44Å; E162-R165 PolarHBondContact O-N 3.36Å; E162-R165 WeakPolarHBondContact OE2-CD 3.36Å; E162-R165 IonicContact OE2-CZ 3.11Å; E162-R165 IonicContact OE2-NE 2.77Å; E162-R165 IonicContact OE2-NH1 3.01Å; E162-R165 PolarHBondContact OE2-NH1 3.03Å; E162-Q166 WeakPolarHBondContact O-CB 3.38Å; E162-Q166 VanDerWaalsContact O-CG 3.31Å; E162-Q166 WeakPolarHBondContact O-CG 3.4Å; E162-Q166 PolarHBondContact O-N 3.14Å; E162-Q166 PolarHBondContact OE1-NE2 2.88Å
163	L	56.8	Low	54.6	Low	107 Å²	107	106.4 Å²	106.4	56%	0.56	53%	0.532	S	S	*	.	H	α-helix	trans	-62.6	-45.6	172.2	-176	68.3	0	0	0	112.3	N159 R165 Q166 K167	N159-L163 VanDerWaalsContact O-CB 3.26Å; N159-L163 WeakPolarHBondContact O-CB 3.33Å; N159-L163 PolarHBondContact O-N 2.88Å; L163-R165 VanDerWaalsContact C-N 3.29Å; L163-R165 PolarHBondContact O-N 3.17Å; L163-Q166 PolarHBondContact O-N 3.22Å; L163-K167 WeakPolarHBondContact O-CB 3.47Å; L163-K167 PolarHBondContact O-N 3.17Å
164	M	68.7	Low	55.3	Low	115 Å²	115	107.5 Å²	107.5	57%	0.567	54%	0.538	S	S	*	.	H	α-helix	trans	-59.5	-40.9	175.2	-79.8	-79.9	-82.3	0	0	111.8	L160 E161 K167 A168	L160-M164 HydrophobicContact CD1-CG 4.46Å; L160-M164 WeakPolarHBondContact O-CB 3.43Å; L160-M164 VanDerWaalsContact O-CG 3.24Å; L160-M164 WeakPolarHBondContact O-CG 3.4Å; L160-M164 PolarHBondContact O-N 2.99Å; E161-M164 PolarHBondContact O-N 2.9Å; M164-K167 PolarHBondContact O-N 3.11Å; M164-A168 WeakPolarHBondContact O-CB 3.49Å; M164-A168 PolarHBondContact O-N 3.41Å
165	R	61.8	Low	55.7	Low	120 Å²	120	106 Å²	106	45%	0.453	54%	0.54	S	S	.	.	H	α-helix	trans	-68.2	-40.4	177.1	179.8	178	171.2	-159.9	0.6	112.6	E161 E162 L163 A168 L169	E161-R165 VanDerWaalsContact O-CB 3.23Å; E161-R165 WeakPolarHBondContact O-CB 3.42Å; E161-R165 PolarHBondContact O-N 3.24Å; E162-R165 WeakPolarHBondContact O-CB 3.44Å; E162-R165 PolarHBondContact O-N 3.36Å; E162-R165 WeakPolarHBondContact OE2-CD 3.36Å; E162-R165 IonicContact OE2-CZ 3.11Å; E162-R165 IonicContact OE2-NE 2.77Å; E162-R165 IonicContact OE2-NH1 3.01Å; E162-R165 PolarHBondContact OE2-NH1 3.03Å; L163-R165 VanDerWaalsContact C-N 3.29Å; L163-R165 PolarHBondContact O-N 3.17Å; R165-A168 PolarHBondContact O-N 3.02Å; R165-L169 WeakPolarHBondContact O-CB 3.38Å; R165-L169 PolarHBondContact O-N 2.91Å
166	Q	60.3	Low	56.2	Low	102 Å²	102	102.3 Å²	102.3	48%	0.477	53%	0.532	S	S	.	.	H	α-helix	trans	-67.6	-40.7	174.3	-72.1	177.5	24.2	0	0	111.7	E162 L163 L169 L170	E162-Q166 WeakPolarHBondContact O-CB 3.38Å; E162-Q166 VanDerWaalsContact O-CG 3.31Å; E162-Q166 WeakPolarHBondContact O-CG 3.4Å; E162-Q166 PolarHBondContact O-N 3.14Å; E162-Q166 PolarHBondContact OE1-NE2 2.88Å; L163-Q166 PolarHBondContact O-N 3.22Å; Q166-L169 PolarHBondContact O-N 3Å; Q166-L170 WeakPolarHBondContact O-CB 3.48Å; Q166-L170 PolarHBondContact O-N 3.08Å
167	K	58.7	Low	56.4	Low	132 Å²	132	106.1 Å²	106.1	57%	0.574	54%	0.54	S	S	*	.	H	α-helix	trans	-59.3	-47.6	172.6	-177.3	-177.9	177.5	-174.6	0	111.8	L163 M164 L169 L170 Q171	L163-K167 WeakPolarHBondContact O-CB 3.47Å; L163-K167 PolarHBondContact O-N 3.17Å; M164-K167 PolarHBondContact O-N 3.11Å; K167-L169 VanDerWaalsContact C-N 3.32Å; K167-L169 PolarHBondContact O-N 3.17Å; K167-L170 PolarHBondContact O-N 3.21Å; K167-Q171 WeakPolarHBondContact O-CB 3.44Å; K167-Q171 PolarHBondContact O-N 3.17Å
168	A	62.8	Low	56.3	Low	61 Å²	61	110.2 Å²	110.2	50%	0.504	56%	0.561	S	S	.	*	H	α-helix	trans	-61.8	-38.9	176.5	0	0	0	0	0	112.4	M164 R165 Q171 A172	M164-A168 WeakPolarHBondContact O-CB 3.49Å; M164-A168 PolarHBondContact O-N 3.41Å; R165-A168 PolarHBondContact O-N 3.02Å; A168-Q171 PolarHBondContact O-N 3.31Å; A168-A172 WeakPolarHBondContact O-CB 3.32Å; A168-A172 PolarHBondContact O-N 3.5Å
169	L	64.8	Low	56.2	Low	111 Å²	111	108.9 Å²	108.9	58%	0.581	56%	0.562	S	S	*	*	H	α-helix	trans	-70.8	-38.7	177.9	-166.8	148.3	0	0	0	112.2	R165 Q166 K167 R173	R165-L169 WeakPolarHBondContact O-CB 3.38Å; R165-L169 PolarHBondContact O-N 2.91Å; Q166-L169 PolarHBondContact O-N 3Å; K167-L169 VanDerWaalsContact C-N 3.32Å; K167-L169 PolarHBondContact O-N 3.17Å; L169-R173 WeakPolarHBondContact O-CB 3.44Å; L169-R173 PolarHBondContact O-N 3.2Å
170	L	56.1	Low	55.8	Low	100 Å²	100	110.5 Å²	110.5	52%	0.524	57%	0.57	S	S	.	*	H	α-helix	trans	-64	-42.4	171.3	-81.5	167.4	0	0	0	111.9	Q166 K167 R173 L174	Q166-L170 WeakPolarHBondContact O-CB 3.48Å; Q166-L170 PolarHBondContact O-N 3.08Å; K167-L170 PolarHBondContact O-N 3.21Å; L170-R173 CarbonylContact O-C 3.16Å; L170-R173 WeakPolarHBondContact O-CA 3.45Å; L170-R173 WeakPolarHBondContact O-CB 3.33Å; L170-R173 PolarHBondContact O-N 3.43Å; L170-R173 VanDerWaalsContact O-N 3.08Å; L170-L174 WeakPolarHBondContact O-CD1 3.46Å; L170-L174 PolarHBondContact O-N 3.5Å
171	Q	57.2	Low	55.2	Low	132 Å²	132	111.8 Å²	111.8	62%	0.617	58%	0.584	S	S	*	*	H	α-helix	trans	-70.3	-34.8	-179.8	-165.5	157.3	-2.6	0	0	112.2	K167 A168 R173 G175	K167-Q171 WeakPolarHBondContact O-CB 3.44Å; K167-Q171 PolarHBondContact O-N 3.17Å; A168-Q171 PolarHBondContact O-N 3.31Å; Q171-R173 VanDerWaalsContact C-N 3.3Å; Q171-R173 PolarHBondContact O-N 3.16Å; Q171-G175 PolarHBondContact O-N 3.28Å
172	A	60.4	Low	54.3	Low	71 Å²	71	114 Å²	114	59%	0.587	59%	0.594	S	S	*	*	H	α-helix	trans	-63.8	-34.8	167.3	0	0	0	0	0	112.4	A168 G175 A176	A168-A172 WeakPolarHBondContact O-CB 3.32Å; A168-A172 PolarHBondContact O-N 3.5Å; A172-G175 PolarHBondContact O-N 3.04Å; A172-A176 PolarHBondContact O-N 3.41Å; A172-A176 VanDerWaalsContact O-N 3.11Å
173	R	59.8	Low	52.8	Low	156 Å²	156	115.4 Å²	115.4	59%	0.589	62%	0.618	S	S	*	*	H	α-helix	trans	-72.7	-39.9	177.3	-156.1	173.6	-164.7	164	3.8	112.4	L169 L170 Q171 A176 Y177	L169-R173 WeakPolarHBondContact O-CB 3.44Å; L169-R173 PolarHBondContact O-N 3.2Å; L170-R173 CarbonylContact O-C 3.16Å; L170-R173 WeakPolarHBondContact O-CA 3.45Å; L170-R173 WeakPolarHBondContact O-CB 3.33Å; L170-R173 PolarHBondContact O-N 3.43Å; L170-R173 VanDerWaalsContact O-N 3.08Å; Q171-R173 VanDerWaalsContact C-N 3.3Å; Q171-R173 PolarHBondContact O-N 3.16Å; R173-A176 PolarHBondContact O-N 3.19Å; R173-Y177 HydrophobicContact CG-CD2 4.45Å; R173-Y177 WeakPolarHBondContact O-CD2 3.43Å; R173-Y177 PolarHBondContact O-N 2.93Å
174	L	55.4	Low	51.7	Low	107 Å²	107	119.4 Å²	119.4	56%	0.56	64%	0.635	S	S	*	*	H	α-helix	trans	-61.5	-43.7	169.5	-98.2	95.4	0	0	0	111.3	L170 A176 Y177 M178	L170-L174 WeakPolarHBondContact O-CD1 3.46Å; L170-L174 PolarHBondContact O-N 3.5Å; L174-A176 VanDerWaalsContact C-N 3.27Å; L174-A176 PolarHBondContact O-N 2.75Å; L174-Y177 PolarHBondContact O-N 2.9Å; L174-Y177 VanDerWaalsContact O-N 3.08Å; L174-M178 WeakPolarHBondContact O-CG 3.32Å; L174-M178 PolarHBondContact O-N 3.38Å
175	G	54	Low	49.9	Very low	37 Å²	37	120.9 Å²	120.9	38%	0.381	65%	0.645	S	S	.	*	H	α-helix	trans	-56	-41	175.5	0	0	0	0	0	112.7	Q171 A172 M178 S179	Q171-G175 PolarHBondContact O-N 3.28Å; A172-G175 PolarHBondContact O-N 3.04Å; G175-M178 PolarHBondContact O-N 2.84Å; G175-S179 PolarHBondContact O-N 3.14Å; G175-S179 PolarHBondContact O-OG 2.8Å
176	A	52.5	Low	48.5	Very low	58 Å²	58	124.9 Å²	124.9	48%	0.479	67%	0.665	S	S	.	*	H	α-helix	trans	-65.2	-45.4	172.8	0	0	0	0	0	112.6	A172 R173 L174 M178 S179	A172-A176 PolarHBondContact O-N 3.41Å; A172-A176 VanDerWaalsContact O-N 3.11Å; R173-A176 PolarHBondContact O-N 3.19Å; L174-A176 VanDerWaalsContact C-N 3.27Å; L174-A176 PolarHBondContact O-N 2.75Å; A176-M178 PolarHBondContact O-N 3.34Å; A176-S179 WeakPolarHBondContact O-CB 3.15Å; A176-S179 PolarHBondContact O-N 2.87Å; A176-S179 VanDerWaalsContact O-N 3.11Å
177	Y	46.8	Very low	47	Very low	191 Å²	191	122.9 Å²	122.9	75%	0.749	67%	0.672	S	S	*	*	H	α-helix	trans	-64.1	-20.1	177.3	-95.4	-80.3	0	0	0	114.6	R173 L174	R173-Y177 HydrophobicContact CG-CD2 4.45Å; R173-Y177 WeakPolarHBondContact O-CD2 3.43Å; R173-Y177 PolarHBondContact O-N 2.93Å; L174-Y177 PolarHBondContact O-N 2.9Å; L174-Y177 VanDerWaalsContact O-N 3.08Å
178	M	46.5	Very low	45.6	Very low	163 Å²	163	123.8 Å²	123.8	80%	0.803	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.2	10.6	175.7	-63.2	-174.5	73.7	0	0	113.5	L174 G175 A176	L174-M178 WeakPolarHBondContact O-CG 3.32Å; L174-M178 PolarHBondContact O-N 3.38Å; G175-M178 PolarHBondContact O-N 2.84Å; A176-M178 PolarHBondContact O-N 3.34Å
179	S	42.7	Very low	44	Very low	90 Å²	90	128.6 Å²	128.6	63%	0.629	70%	0.7	S	S	*	*	S	Bend	trans	-107.5	-11.2	-174.6	-66.8	0	0	0	0	115.7	G175 A176	G175-S179 PolarHBondContact O-N 3.14Å; G175-S179 PolarHBondContact O-OG 2.8Å; A176-S179 WeakPolarHBondContact O-CB 3.15Å; A176-S179 PolarHBondContact O-N 2.87Å; A176-S179 VanDerWaalsContact O-N 3.11Å
180	D	35.6	Very low	42.2	Very low	149 Å²	149	130 Å²	130	80%	0.797	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-102	124.5	178.9	-78	-40.4	0	0	0	111.2
181	P	40.8	Very low	41.6	Very low	121 Å²	121	130.6 Å²	130.6	79%	0.786	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-79.6	161.2	174.5	33.5	-34.9	0	0	0	112.4
182	E	35.4	Very low	40.2	Very low	197 Å²	197	131.4 Å²	131.4	92%	0.921	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-61.5	145.2	-174.6	-61.2	168.2	128.1	0	0	113.6
183	A	31.1	Very low	38.6	Very low	103 Å²	103	133.7 Å²	133.7	85%	0.851	73%	0.727	S	S	*	*			trans	-116.3	113.4	166.7	0	0	0	0	0	108.6
184	E	33.6	Very low	37.2	Very low	192 Å²	192	134.4 Å²	134.4	90%	0.897	74%	0.737	S	S	*	*			trans	-66.7	156.6	-174.1	-74.3	-171.2	126.1	0	0	114.6
185	D	32.8	Very low	35.9	Very low	146 Å²	146	133.6 Å²	133.6	78%	0.781	74%	0.74	S	S	*	*			trans	-63.9	150.1	176.5	-176.3	25.3	0	0	0	113.5	G187	D185-G187 PolarHBondContact OD1-N 2.98Å
186	K	31.9	Very low	34.8	Very low	203 Å²	203	139.9 Å²	139.9	88%	0.883	76%	0.76	S	S	*	*			trans	-144.4	83.2	162.8	-75.4	-160.3	174.7	-170.4	0	109.7
187	G	29.2	Very low	33.6	Very low	61 Å²	61	144.8 Å²	144.8	63%	0.629	77%	0.773	S	S	*	*			trans	-67.8	150.8	172.1	0	0	0	0	0	113.4	D185	D185-G187 PolarHBondContact OD1-N 2.98Å
188	D	28.8	Very low	32.7	Very low	150 Å²	150	141.8 Å²	141.8	80%	0.802	77%	0.769	S	S	*	*			trans	-139.9	112.7	166.7	-116.3	-36.1	0	0	0	110.3
189	L	29.6	Very low	31.8	Very low	163 Å²	163	139.8 Å²	139.8	85%	0.853	77%	0.766	S	S	*	*			trans	53	115.8	149.7	-62.7	165.7	0	0	0	122.5
190	L	26.8	Very low	31.2	Very low	139 Å²	139	140.2 Å²	140.2	73%	0.728	76%	0.764	S	S	*	*			trans	-35	159.4	152.4	-85.2	169.2	0	0	0	116.5
191	P	42.9	Very low	30.8	Very low	113 Å²	113	140.8 Å²	140.8	73%	0.734	76%	0.762	S	S	*	*				-151.2	159.6	55.8	40.2	-18.8	0	0	0	122
192	H	27.9	Very low	30.2	Very low	150 Å²	150	139.3 Å²	139.3	69%	0.694	75%	0.751	S	S	*	*			trans	13.8	138.3	148.7	-53.4	-69.9	0	0	0	120.7
193	T	27.2	Very low	29.9	Very low	118 Å²	118	138.8 Å²	138.8	72%	0.724	75%	0.745	S	S	*	*				-169.8	152	77.2	23.8	0	0	0	0	113.7
194	H	29.8	Very low	29.8	Very low	172 Å²	172	138.1 Å²	138.1	80%	0.796	73%	0.734	S	S	*	*			trans	42.6	155.4	151.4	-67.7	-51.7	0	0	0	123.5
195	S	28.5	Very low	29.6	Very low	90 Å²	90	134.9 Å²	134.9	63%	0.629	73%	0.728	S	S	*	*			cis	169.6	163.9	-30	-94	0	0	0	0	107.7
196	Q	29.7	Very low	29.4	Very low	169 Å²	169	134.6 Å²	134.6	79%	0.79	73%	0.725	S	S	*	*			trans	73.7	120.2	165.9	-71.8	171.6	14.3	0	0	115.4
197	Q	29	Very low	29.2	Very low	161 Å²	161	133.9 Å²	133.9	75%	0.752	72%	0.722	S	S	*	*				80.8	144.7	70.3	-80.8	-178	-10.7	0	0	112.4
198	L	28	Very low	29.2	Very low	128 Å²	128	135 Å²	135	67%	0.67	73%	0.726	S	S	*	*			cis	-159	150.1	14.9	-113.5	153.6	0	0	0	109.6
199	V	27.7	Very low	29.1	Very low	121 Å²	121	133.7 Å²	133.7	73%	0.733	72%	0.723	S	S	*	*				47.5	144.2	125.3	138.7	0	0	0	0	121.6
200	V	28.4	Very low	29.1	Very low	99 Å²	99	132.3 Å²	132.3	60%	0.6	72%	0.721	S	S	*	*			cis	-178.4	168.8	-9.1	75.6	0	0	0	0	112.8
201	H	28.7	Very low	29.1	Very low	160 Å²	160	131 Å²	131	74%	0.741	72%	0.724	S	S	*	*			trans	70.1	162	153.3	-75.9	-4.9	0	0	0	120.2
202	T	27.5	Very low	28.4	Very low	90 Å²	90	132.1 Å²	132.1	55%	0.552	73%	0.728	S	S	*	*			cis	-165.3	165.3	-15.6	28.7	0	0	0	0	112.7
203	K	29.6	Very low	28.9	Very low	187 Å²	187	130.9 Å²	130.9	81%	0.813	73%	0.733	S	S	*	*			trans	73.6	158.5	146.7	-77.4	156.4	-176.2	174.6	0	118.3
204	S	27.8	Very low	28.9	Very low	88 Å²	88	132.8 Å²	132.8	62%	0.615	73%	0.734	S	S	*	*			cis	170.2	-176.9	-36.1	56.5	0	0	0	0	109.3
205	V	29.8	Very low	29.5	Very low	125 Å²	125	129.7 Å²	129.7	76%	0.758	73%	0.729	S	S	*	*			trans	76.8	136.3	154.4	151.3	0	0	0	0	115.6
206	L	28.1	Very low	29.3	Very low	139 Å²	139	132.5 Å²	132.5	73%	0.728	73%	0.732	S	S	*	*			cis	-155.7	-178.5	4.3	-119.3	177.6	0	0	0	114.8
207	K	29.2	Very low	30.5	Very low	188 Å²	188	129.3 Å²	129.3	82%	0.817	73%	0.726	S	S	*	*			trans	-54.5	179.3	174.1	-69	169	-171.8	178.4	0	117.2
208	A	27.4	Very low	30.4	Very low	86 Å²	86	125.8 Å²	125.8	71%	0.711	72%	0.72	S	S	*	*			cis	174.9	-161.1	-28.4	0	0	0	0	0	109.6
209	V	28.5	Very low	30.5	Very low	122 Å²	122	129 Å²	129	74%	0.739	73%	0.728	S	S	*	*			trans	107.6	100.3	152.4	-177.7	0	0	0	0	121.3
210	T	27.9	Very low	30.5	Very low	134 Å²	134	128.2 Å²	128.2	82%	0.822	73%	0.728	S	S	*	*			trans	57.8	169.3	146.1	69.2	0	0	0	0	120.8
211	S	26.8	Very low	30.4	Very low	111 Å²	111	127.9 Å²	127.9	78%	0.776	74%	0.736	S	S	*	*			cis	-150.5	-172	12.5	65.3	0	0	0	0	113.3
212	V	29.6	Very low	30.4	Very low	137 Å²	137	124.6 Å²	124.6	83%	0.83	74%	0.736	S	S	*	*			trans	-137.8	139.8	-172.1	164.6	0	0	0	0	111
213	P	38.6	Very low	31.6	Very low	124 Å²	124	125.5 Å²	125.5	81%	0.805	74%	0.744	S	S	*	*				-149.9	163.7	121.8	38.2	-20.8	0	0	0	117.7
214	Q	27	Very low	31.5	Very low	157 Å²	157	124.2 Å²	124.2	73%	0.734	75%	0.745	S	S	*	*			trans	-87.7	-171.7	164.3	-105.4	-163.9	37	0	0	110.4
215	P	41.5	Very low	31.5	Very low	108 Å²	108	123.3 Å²	123.3	70%	0.701	74%	0.743	S	S	*	*			cis	-153.7	157.7	25	43.2	-20.6	0	0	0	121.8
216	Q	25.5	Very low	31.4	Very low	148 Å²	148	124.1 Å²	124.1	69%	0.692	75%	0.748	S	S	*	*			trans	61.7	-169.8	134.4	-57	-71.2	-19	0	0	118.9
217	P	54.8	Low	31.5	Very low	102 Å²	102	121 Å²	121	66%	0.662	74%	0.742	S	S	*	*				-142.7	-170.4	-104.9	42.9	-20.6	0	0	0	118.4
218	S	27.1	Very low	31.5	Very low	88 Å²	88	118.7 Å²	118.7	62%	0.615	74%	0.744	S	S	*	*			trans	106.2	139.8	139.3	85.7	0	0	0	0	122.4
219	K	28.8	Very low	31.6	Very low	194 Å²	194	118.9 Å²	118.9	84%	0.843	74%	0.74	S	S	*	*			trans	67.8	153.9	141.8	-71.9	164.6	-175.1	177	0	119.6
220	S	27.5	Very low	31.8	Very low	105 Å²	105	121.8 Å²	121.8	73%	0.734	74%	0.743	S	S	*	*			cis	-174.5	167.1	-14.1	50.3	0	0	0	0	112.2
221	A	27.7	Very low	32.1	Very low	92 Å²	92	124.3 Å²	124.3	76%	0.76	75%	0.745	S	S	*	*			trans	72.3	140.7	168.6	0	0	0	0	0	116.9
222	A	26.9	Very low	32.4	Very low	91 Å²	91	123.2 Å²	123.2	75%	0.752	74%	0.743	S	S	*	*			cis	79.6	154.3	25.6	0	0	0	0	0	114.7
223	P	53.1	Low	32.3	Very low	109 Å²	109	123.9 Å²	123.9	71%	0.708	74%	0.742	S	S	*	*			cis	-141.8	-156.1	-18	26.7	0.5	0	0	0	113.7
224	L	27.2	Very low	32	Very low	161 Å²	161	124.1 Å²	124.1	84%	0.843	74%	0.735	S	S	*	*			trans	73.2	154.9	167.1	-81	81.4	0	0	0	118.3
225	A	28.4	Very low	32.1	Very low	68 Å²	68	125.2 Å²	125.2	56%	0.562	74%	0.737	S	S	*	*			cis	-173.9	168.4	-23.7	0	0	0	0	0	112.8
226	T	27.3	Very low	31.6	Very low	142 Å²	142	130 Å²	130	87%	0.871	75%	0.747	S	S	*	*			trans	65.8	151.6	152.2	43.8	0	0	0	0	119.6
227	A	29.8	Very low	31.8	Very low	73 Å²	73	128.9 Å²	128.9	60%	0.603	76%	0.755	S	S	*	*			cis	-169.7	172.1	-14.7	0	0	0	0	0	112.8
228	T	29.7	Very low	30.6	Very low	140 Å²	140	130.1 Å²	130.1	86%	0.859	76%	0.762	S	S	*	*			trans	67.6	152.5	153.2	48.6	0	0	0	0	120.2
229	S	29.6	Very low	30.7	Very low	91 Å²	91	132.5 Å²	132.5	64%	0.636	77%	0.773	S	S	*	*			cis	-173.4	172.8	-17.3	-178	0	0	0	0	111.5
230	K	33.3	Very low	30.8	Very low	183 Å²	183	130.7 Å²	130.7	80%	0.796	77%	0.767	S	S	*	*			trans	81	127	169.2	-50.2	172.8	-173.6	175.4	0	114.6
231	H	33.1	Very low	30.8	Very low	186 Å²	186	132.2 Å²	132.2	86%	0.861	77%	0.767	S	S	*	*				66.4	136.2	50.5	-64.2	-46.9	0	0	0	113.1
232	A	32.8	Very low	31	Very low	88 Å²	88	132 Å²	132	73%	0.727	76%	0.759	S	S	*	*			cis	-151.2	145.9	10.3	0	0	0	0	0	109.7
233	N	28.4	Very low	31.1	Very low	151 Å²	151	133.2 Å²	133.2	81%	0.807	75%	0.753	S	S	*	*				93.9	158	72.3	-166.2	13.8	0	0	0	114.5
234	I	31.4	Very low	30.2	Very low	129 Å²	129	136 Å²	136	66%	0.662	76%	0.757	S	S	*	*			trans	100.8	101	162.1	-55.2	-179.3	0	0	0	119.7
235	K	31	Very low	30.4	Very low	181 Å²	181	133.1 Å²	133.1	79%	0.787	75%	0.75	S	S	*	*			trans	48.1	121.1	130.8	-59.3	177.3	-172.5	175.1	0	120.1
236	K	30.5	Very low	30.8	Very low	207 Å²	207	137.2 Å²	137.2	90%	0.9	76%	0.763	S	S	*	*				64.1	119.2	76.6	-76	-168	175.9	-170.4	0	116.4
237	S	28.9	Very low	31.1	Very low	125 Å²	125	136.8 Å²	136.8	87%	0.874	76%	0.76	S	S	*	*				-168.8	145.8	125.8	53.5	0	0	0	0	112.5
238	T	29.5	Very low	31	Very low	129 Å²	129	141 Å²	141	79%	0.791	77%	0.77	S	S	*	*			trans	-127.6	136.7	-177.2	-44.1	0	0	0	0	110.4
239	T	29.9	Very low	31.3	Very low	138 Å²	138	141.3 Å²	141.3	85%	0.847	77%	0.766	S	S	*	*			trans	179.9	168	157.6	36.1	0	0	0	0	110.2
240	H	30.5	Very low	31.8	Very low	155 Å²	155	144 Å²	144	72%	0.718	77%	0.772	S	S	*	*				179.2	153.8	-50.7	-129.8	-83.6	0	0	0	107.7
241	N	28.1	Very low	32.2	Very low	138 Å²	138	142.3 Å²	142.3	74%	0.738	77%	0.772	S	S	*	*			trans	68.3	166.7	163	-62.1	1.3	0	0	0	119.4
242	S	31	Very low	32.2	Very low	86 Å²	86	140.1 Å²	140.1	60%	0.601	77%	0.767	S	S	*	*				-176.3	172.3	-55.3	59.3	0	0	0	0	111.3
243	N	30.2	Very low	32.7	Very low	118 Å²	118	140.2 Å²	140.2	63%	0.631	76%	0.762	S	S	*	*			trans	76.7	127.1	166	-61.9	54.5	0	0	0	116.5
244	E	32.6	Very low	33.2	Very low	166 Å²	166	139.2 Å²	139.2	78%	0.776	77%	0.767	S	S	*	*				74.1	147.2	91.7	-64.5	178.2	135.8	0	0	115.1
245	S	32.3	Very low	33.4	Very low	101 Å²	101	137.1 Å²	137.1	71%	0.706	78%	0.777	S	S	*	*			cis	-165.6	157.3	-15.6	47.9	0	0	0	0	111.6
246	D	37.4	Very low	33.6	Very low	155 Å²	155	132.1 Å²	132.1	83%	0.829	78%	0.777	S	S	*	*			trans	32.3	165.1	153.7	-73.6	-32.6	0	0	0	126.7
247	V	32.5	Very low	34	Very low	133 Å²	133	130.1 Å²	130.1	81%	0.806	77%	0.771	S	S	*	*			trans	91.7	135.6	152.7	-147.1	0	0	0	0	120.6
248	I	28.6	Very low	34.2	Very low	161 Å²	161	134.7 Å²	134.7	83%	0.826	77%	0.769	S	S	*	*			trans	130.3	150.3	146.8	-63.8	-177	0	0	0	114.3
249	L	35.9	Very low	35	Very low	146 Å²	146	134.7 Å²	134.7	76%	0.764	77%	0.769	S	S	*	*			trans	-149.5	168.5	-155.8	-137.1	177.6	0	0	0	109.4
250	L	39	Very low	36.2	Very low	148 Å²	148	134.1 Å²	134.1	78%	0.775	77%	0.767	S	S	*	*			trans	76.1	151.5	171.1	-56.7	174.1	0	0	0	116.6
251	D	41.9	Very low	36.7	Very low	147 Å²	147	131.6 Å²	131.6	79%	0.786	77%	0.767	S	S	*	*			cis	-169.6	-172.1	-24.6	-163.8	8.5	0	0	0	109.9
252	D	33.7	Very low	38.1	Very low	141 Å²	141	130 Å²	130	75%	0.754	76%	0.764	S	S	*	*			trans	109.8	170	149.4	-138.7	-7.3	0	0	0	120.4
253	S	43	Very low	38.6	Very low	90 Å²	90	131.7 Å²	131.7	63%	0.629	77%	0.771	S	S	*	*				-134.1	176.9	-127	-48.9	0	0	0	0	119.1
254	S	40.1	Very low	39.8	Very low	130 Å²	130	131.2 Å²	131.2	91%	0.909	77%	0.774	S	S	*	*			trans	83.4	150.4	163	80.2	0	0	0	0	119.3
255	G	34.4	Very low	39.8	Very low	84 Å²	84	130.7 Å²	130.7	87%	0.866	77%	0.772	S	S	*	*			cis	160.8	141.9	-17.3	0	0	0	0	0	115.8
256	G	34.9	Very low	39.8	Very low	76 Å²	76	133.8 Å²	133.8	78%	0.784	77%	0.773	S	S	*	*			trans	141.6	113.9	155	0	0	0	0	0	122.7
257	Q	39.2	Very low	39.6	Very low	166 Å²	166	136.2 Å²	136.2	78%	0.776	77%	0.77	S	S	*	*			trans	58	158.1	153.2	-52	-160.3	18	0	0	120
258	R	34.2	Very low	39.7	Very low	220 Å²	220	137.4 Å²	137.4	83%	0.83	76%	0.76	S	S	*	*			cis	-149.6	174	5.7	-142.8	174.6	-122.8	-158.1	0	110.8
259	T	46.4	Very low	40	Very low	129 Å²	129	138.4 Å²	138.4	79%	0.791	75%	0.754	S	S	*	*			trans	-132.1	175.1	-175.7	69.8	0	0	0	0	112.8
260	P	55.2	Low	40.5	Very low	126 Å²	126	139.9 Å²	139.9	82%	0.818	76%	0.757	S	S	*	*				-144	-172.1	70.3	38.1	-16.9	0	0	0	116.5
261	S	40.4	Very low	40.1	Very low	102 Å²	102	137.7 Å²	137.7	71%	0.713	76%	0.76	S	S	*	*			trans	-137.6	-178.3	-179.5	63.7	0	0	0	0	111.4
262	P	57.5	Low	39.9	Very low	104 Å²	104	136.3 Å²	136.3	68%	0.675	76%	0.762	S	S	*	*				-159.1	130.4	88.5	39.1	-16.8	0	0	0	120.4
263	T	42	Very low	40.6	Very low	123 Å²	123	135.7 Å²	135.7	76%	0.755	77%	0.765	S	S	*	*				69.7	167.2	129.9	67.2	0	0	0	0	123.1
264	P	55.1	Low	40.4	Very low	107 Å²	107	139.1 Å²	139.1	70%	0.695	78%	0.776	S	S	*	*				-129.9	-169.1	-51.4	40.4	-23.8	0	0	0	111.4
265	E	32.1	Very low	41	Very low	155 Å²	155	138.5 Å²	138.5	72%	0.724	77%	0.769	S	S	*	*			cis	-149.8	-163.8	14.9	-164	129.6	-135.2	0	0	114.1
266	K	32.7	Very low	40.8	Very low	167 Å²	167	139.4 Å²	139.4	73%	0.726	77%	0.768	S	S	*	*			trans	-108.3	166.4	-154.7	-52.7	143.5	-171.1	140	0	112.4
267	R	32.3	Very low	40.8	Very low	205 Å²	205	140.2 Å²	140.2	77%	0.774	77%	0.767	S	S	*	*			cis	69.4	143.8	31.7	-80.2	-164.2	172.9	-162.3	4.3	115.1
268	R	34.4	Very low	41.1	Very low	158 Å²	158	138 Å²	138	60%	0.596	77%	0.767	S	S	*	*			cis	-176.8	152.4	-18.1	-123.1	-174.2	-178.7	-171.4	1.6	110.5
269	R	34.7	Very low	40.8	Very low	183 Å²	183	138.6 Å²	138.6	69%	0.691	77%	0.769	S	S	*	*			trans	63.7	128.8	148.3	-64.7	-170.5	172.1	-177.3	-6	119.2
270	H	46.3	Very low	39.9	Very low	177 Å²	177	137.3 Å²	137.3	82%	0.819	77%	0.765	S	S	*	*				88.5	121.4	69.5	-69.6	-48.4	0	0	0	116.2
271	A	31.1	Very low	38.5	Very low	102 Å²	102	142.3 Å²	142.3	84%	0.843	77%	0.768	S	S	*	*			trans	-165.6	160.8	148.6	0	0	0	0	0	111.3
272	S	37.8	Very low	37.8	Very low	118 Å²	118	143 Å²	143	83%	0.825	77%	0.771	S	S	*	*			trans	-122.4	172.2	172.1	-40.6	0	0	0	0	108.4
273	P	49.9	Very low	36.5	Very low	128 Å²	128	147.7 Å²	147.7	83%	0.831	78%	0.775	S	S	*	*			cis	-145.7	-161.6	46.6	40.5	-16.8	0	0	0	116.5
274	L	37.3	Very low	36	Very low	162 Å²	162	151.7 Å²	151.7	85%	0.848	78%	0.777	S	S	*	*			trans	-81.6	177	178.7	-69.5	171.2	0	0	0	112.2
275	P	54.3	Low	35	Very low	117 Å²	117	152.5 Å²	152.5	76%	0.76	78%	0.775	S	S	*	*			cis	-147	-173.3	20.8	45.2	-24.8	0	0	0	119.2
276	A	29.6	Very low	35	Very low	103 Å²	103	156 Å²	156	85%	0.851	78%	0.782	S	S	*	*			trans	72.3	160.7	156.4	0	0	0	0	0	120.3
277	A	33.8	Very low	35	Very low	92 Å²	92	159.2 Å²	159.2	76%	0.76	79%	0.789	S	S	*	*			trans	-129.4	155.9	-178.6	0	0	0	0	0	110.1
278	P	46.3	Very low	35	Very low	119 Å²	119	154.1 Å²	154.1	77%	0.773	79%	0.785	S	S	*	*				-156.3	157.2	89.4	40.1	-20.8	0	0	0	118.9
279	R	27.8	Very low	35	Very low	234 Å²	234	157 Å²	157	88%	0.883	80%	0.796	S	S	*	*			trans	30.5	110.5	142	-67.4	-177.7	172.8	-178.4	-1.3	121.9
280	S	27.5	Very low	34.8	Very low	102 Å²	102	153.5 Å²	153.5	71%	0.713	79%	0.791	S	S	*	*				122.8	140.9	101.1	75.4	0	0	0	0	123.2
281	R	26.2	Very low	34	Very low	231 Å²	231	155.1 Å²	155.1	87%	0.872	79%	0.79	S	S	*	*			trans	83.1	145.4	145.1	-78.5	168.9	175.2	-178.5	-1	123
282	C	26	Very low	33.8	Very low	115 Å²	115	157.2 Å²	157.2	78%	0.777	79%	0.787	S	S	*	*			trans	76.9	150.2	163.1	-72.3	0	0	0	0	117.9
283	R	29.9	Very low	33.3	Very low	203 Å²	203	162.9 Å²	162.9	77%	0.766	79%	0.79	S	S	*	*			cis	-160.7	137.4	9.1	-130.4	173.6	-164.5	-175.9	6	112.9
284	R	31.5	Very low	32.3	Very low	208 Å²	208	162 Å²	162	79%	0.785	79%	0.787	S	S	*	*			trans	59.3	154.9	138.5	-78.2	-178.4	177.6	-179.5	0.9	121.4
285	D	34.7	Very low	33.1	Very low	123 Å²	123	160.1 Å²	160.1	66%	0.658	78%	0.784	S	S	*	*			cis	-158.1	172.1	-2.1	-133.2	-39.6	0	0	0	114.7
286	R	31.7	Very low	32.2	Very low	228 Å²	228	160.2 Å²	160.2	86%	0.86	79%	0.785	S	S	*	*			trans	67.5	129.1	175.1	-55.7	175.7	-177.4	-172.5	0.9	114.8
287	R	32.3	Very low	32.2	Very low	236 Å²	236	166.7 Å²	166.7	89%	0.891	79%	0.788	S	S	*	*			cis	-156.5	166.2	-3.7	-100	178.1	176	175.1	-2.2	105.4
288	S	32.5	Very low	31.9	Very low	98 Å²	98	173.3 Å²	173.3	69%	0.685	79%	0.793	S	S	*	*			cis	-158.7	147.1	-5.2	33.5	0	0	0	0	106.5
289	R	33.9	Very low	31	Very low	217 Å²	217	178.5 Å²	178.5	82%	0.819	80%	0.797	S	S	*	*				43.4	130.7	85.2	-65.4	-164.4	179.9	178	0	114.9
290	D	31.6	Very low	31.3	Very low	110 Å²	110	172 Å²	172	59%	0.588	79%	0.793	S	S	*	*			cis	-158.6	162.3	-1.9	-97.4	-23.8	0	0	0	106.4
291	R	27.7	Very low	31.4	Very low	211 Å²	211	172.7 Å²	172.7	80%	0.796	80%	0.798	S	S	*	*			cis	-163	163.3	6.5	-120.9	163.6	-159.3	-166.7	-0.1	110.9
292	D	28.6	Very low	31.8	Very low	147 Å²	147	168.9 Å²	168.9	79%	0.786	80%	0.795	S	S	*	*			trans	-70.3	159.1	174.8	-48	-96.9	0	0	0	115.4
293	R	26.4	Very low	31.9	Very low	237 Å²	237	172.9 Å²	172.9	89%	0.894	80%	0.802	S	S	*	*				-167.7	106.9	126.1	-107.8	169	-173.9	-159.3	0.8	116
294	S	28.4	Very low	32.2	Very low	108 Å²	108	172.1 Å²	172.1	76%	0.755	81%	0.807	S	S	*	*				37.2	147.7	123.6	-47.6	0	0	0	0	123.8
295	P	54.9	Low	32.1	Very low	123 Å²	123	168.8 Å²	168.8	80%	0.799	81%	0.81	S	S	*	*			trans	-97.6	159.5	-178	39.1	-37.4	0	0	0	116.3
296	P	35	Very low	32.2	Very low	119 Å²	119	172.3 Å²	172.3	77%	0.773	82%	0.823	S	S	*	*			trans	-108.9	153	156.6	36.9	-27.5	0	0	0	111.4
297	R	29.5	Very low	32.2	Very low	240 Å²	240	168.1 Å²	168.1	91%	0.906	82%	0.822	S	S	*	*			cis	78.9	111.1	11.8	-113.4	-170.2	-173.6	-144.9	1.2	117.9
298	R	28.6	Very low	32.2	Very low	230 Å²	230	167.6 Å²	167.6	87%	0.868	82%	0.82	S	S	*	*			trans	118.6	150	164.1	-73.4	173.3	-173.9	-138.8	2.1	113.2
299	R	26.1	Very low	32.3	Very low	229 Å²	229	169 Å²	169	86%	0.864	83%	0.827	S	S	*	*			cis	-163	161.4	-26.6	-127.5	-177.2	-179.6	-176.7	-1.5	107.3
300	A	33.7	Very low	32.4	Very low	97 Å²	97	170 Å²	170	80%	0.802	83%	0.831	S	S	*	*			trans	-43.1	152.8	-175	0	0	0	0	0	119.7
301	S	29.9	Very low	32.9	Very low	116 Å²	116	169.2 Å²	169.2	81%	0.811	83%	0.834	S	S	*	*			trans	-151.3	126.3	150.1	59	0	0	0	0	109.6
302	D	34.1	Very low	33.4	Very low	151 Å²	151	170 Å²	170	81%	0.807	84%	0.837	S	S	*	*			trans	-76.6	147.3	-179.3	-67.5	-79.9	0	0	0	113.8
303	Q	29.4	Very low	34	Very low	200 Å²	200	168.5 Å²	168.5	94%	0.935	83%	0.829	S	S	*	*			trans	-158.5	141.5	139.7	-119.5	158.9	88.1	0	0	111.8
304	Q	36	Very low	34.8	Very low	187 Å²	187	166.5 Å²	166.5	87%	0.874	82%	0.821	S	S	*	*			trans	-89.6	145.6	-175.6	-65	175.8	-13.1	0	0	111.9
305	T	28.8	Very low	35.8	Very low	138 Å²	138	167.3 Å²	167.3	85%	0.847	82%	0.817	S	S	*	*			trans	-156.5	125.9	149.1	-15	0	0	0	0	110.3
306	Q	37.7	Very low	35.4	Very low	197 Å²	197	166.1 Å²	166.1	92%	0.921	80%	0.802	S	S	*	*			trans	-82.3	133.9	175.4	-66.3	-172.4	8.4	0	0	111.2
307	V	31.2	Very low	36	Very low	139 Å²	139	165 Å²	165	84%	0.842	79%	0.786	S	S	*	*			trans	-136.1	138.2	161.2	-174.6	0	0	0	0	109.9
308	R	31.8	Very low	37.4	Very low	226 Å²	226	157.8 Å²	157.8	85%	0.853	77%	0.766	S	S	*	*			trans	-73.4	148.3	-169.9	-61.6	173.9	177.7	174.1	-2.6	113.2	R310	R308-R310 PolarHBondContact O-N 2.63Å
309	P	35.7	Very low	38.9	Very low	128 Å²	128	151.6 Å²	151.6	83%	0.831	75%	0.75	S	S	*	*			trans	-69.5	121.4	173.1	29.3	-34.1	0	0	0	111.1
310	R	35.4	Very low	40.5	Very low	237 Å²	237	147.6 Å²	147.6	89%	0.894	74%	0.735	S	S	*	*			trans	-134	16	-178.2	-132	178	-173	-176.7	1.3	114.9	R308	R308-R310 PolarHBondContact O-N 2.63Å
311	S	43	Very low	41.6	Very low	93 Å²	93	147.4 Å²	147.4	65%	0.65	72%	0.717	S	S	*	*			trans	-87.7	-22.3	-176.4	52.6	0	0	0	0	115.2	N313	S311-N313 PolarHBondContact O-N 3.09Å
312	R	38.1	Very low	43.2	Very low	227 Å²	227	145.7 Å²	145.7	86%	0.857	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-16.9	-167.1	-150.4	171.9	-171.5	168.8	2.4	115.6
313	N	39.9	Very low	45	Very low	117 Å²	117	142.4 Å²	142.4	63%	0.626	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	-35.1	179.9	-91.5	42.7	0	0	0	114.5	S311 N315 M316 E317	S311-N313 PolarHBondContact O-N 3.09Å; N313-N315 PolarHBondContact O-N 3.42Å; N313-M316 PolarHBondContact O-N 3.07Å; N313-E317 PolarHBondContact O-N 3.07Å; N313-E317 VanDerWaalsContact O-N 3.11Å
314	R	43.6	Very low	46.7	Very low	194 Å²	194	137.7 Å²	137.7	73%	0.732	66%	0.659	S	S	*	*	H	α-helix	trans	-57.9	-48.4	-170.7	-74.2	-173.8	175.9	173.8	-1.7	112.3	M316 E317 D318	R314-M316 PolarHBondContact O-N 3.08Å; R314-M316 VanDerWaalsContact O-N 3.12Å; R314-E317 WeakPolarHBondContact O-CB 3.49Å; R314-E317 PolarHBondContact O-N 3.03Å; R314-D318 PolarHBondContact O-N 2.8Å
315	N	50.4	Low	48.3	Very low	126 Å²	126	134.3 Å²	134.3	67%	0.674	64%	0.638	S	S	*	*	H	α-helix	trans	-60.2	-25.9	178.7	-64.6	34.1	0	0	0	113.9	N313 L319	N313-N315 PolarHBondContact O-N 3.42Å; N315-L319 VanDerWaalsContact O-CB 3.28Å; N315-L319 WeakPolarHBondContact O-CB 3.35Å; N315-L319 PolarHBondContact O-N 3.05Å
316	M	45.2	Very low	50.2	Low	97 Å²	97	131 Å²	131	48%	0.478	62%	0.615	S	S	.	*	H	α-helix	trans	-81.4	-34.9	174.8	-91.4	-70.7	-74.4	0	0	112.4	N313 R314 R320	N313-M316 PolarHBondContact O-N 3.07Å; R314-M316 PolarHBondContact O-N 3.08Å; R314-M316 VanDerWaalsContact O-N 3.12Å; M316-R320 VanDerWaalsContact O-CB 3.3Å; M316-R320 WeakPolarHBondContact O-CB 3.5Å; M316-R320 WeakPolarHBondContact O-CD 3.34Å; M316-R320 WeakPolarHBondContact O-CG 3.43Å; M316-R320 PolarHBondContact O-N 2.98Å; M316-R320 VanDerWaalsContact O-N 3.14Å
317	E	47.5	Very low	51.5	Low	95 Å²	95	127.1 Å²	127.1	44%	0.444	60%	0.596	S	S	.	*	H	α-helix	trans	-62.5	-46.9	171	-124.6	75.4	-104.5	0	0	110.8	N313 R314 R320 Q321	N313-E317 PolarHBondContact O-N 3.07Å; N313-E317 VanDerWaalsContact O-N 3.11Å; R314-E317 WeakPolarHBondContact O-CB 3.49Å; R314-E317 PolarHBondContact O-N 3.03Å; E317-R320 PolarHBondContact O-N 3.31Å; E317-Q321 WeakPolarHBondContact O-CG 3.16Å; E317-Q321 PolarHBondContact O-N 3.33Å
318	D	58.7	Low	52.6	Low	89 Å²	89	126.1 Å²	126.1	48%	0.476	58%	0.582	S	S	.	*	H	α-helix	trans	-67.9	-45.2	-177.3	-65.1	-37.2	0	0	0	111.6	R314 R320 Q321 E322	R314-D318 PolarHBondContact O-N 2.8Å; D318-R320 VanDerWaalsContact C-N 3.3Å; D318-R320 PolarHBondContact O-N 3.11Å; D318-Q321 WeakPolarHBondContact O-CB 3.5Å; D318-Q321 PolarHBondContact O-N 3.01Å; D318-E322 PolarHBondContact O-N 2.82Å
319	L	61.6	Low	54.2	Low	101 Å²	101	122.3 Å²	122.3	53%	0.529	57%	0.567	S	S	.	*	H	α-helix	trans	-62.3	-37.5	176.2	-171	68	0	0	0	112	N315 Q321 E322 I323	N315-L319 VanDerWaalsContact O-CB 3.28Å; N315-L319 WeakPolarHBondContact O-CB 3.35Å; N315-L319 PolarHBondContact O-N 3.05Å; L319-Q321 VanDerWaalsContact C-N 3.34Å; L319-E322 PolarHBondContact O-N 3.47Å; L319-I323 HydrophobicContact CG-CD1 4.14Å; L319-I323 VanDerWaalsContact O-CG1 3.31Å; L319-I323 WeakPolarHBondContact O-CG1 3.36Å; L319-I323 PolarHBondContact O-N 3.38Å
320	R	60	Low	55.1	Low	144 Å²	144	121.8 Å²	121.8	54%	0.543	55%	0.554	S	S	.	*	H	α-helix	trans	-67.8	-31.2	173.4	-77	172.7	168.3	-168.2	-5.4	112.7	M316 E317 D318 N324	M316-R320 VanDerWaalsContact O-CB 3.3Å; M316-R320 WeakPolarHBondContact O-CB 3.5Å; M316-R320 WeakPolarHBondContact O-CD 3.34Å; M316-R320 WeakPolarHBondContact O-CG 3.43Å; M316-R320 PolarHBondContact O-N 2.98Å; M316-R320 VanDerWaalsContact O-N 3.14Å; E317-R320 PolarHBondContact O-N 3.31Å; D318-R320 VanDerWaalsContact C-N 3.3Å; D318-R320 PolarHBondContact O-N 3.11Å; R320-N324 WeakPolarHBondContact O-CB 3.34Å; R320-N324 PolarHBondContact O-N 3.09Å; R320-N324 PolarHBondContact O-ND2 2.89Å
321	Q	56	Low	55.9	Low	93 Å²	93	120.1 Å²	120.1	44%	0.435	55%	0.547	S	S	.	.	H	α-helix	trans	-71.4	-41	172.9	-75.5	179.2	60.4	0	0	111.9	E317 D318 L319 N324 R325	E317-Q321 WeakPolarHBondContact O-CG 3.16Å; E317-Q321 PolarHBondContact O-N 3.33Å; D318-Q321 WeakPolarHBondContact O-CB 3.5Å; D318-Q321 PolarHBondContact O-N 3.01Å; L319-Q321 VanDerWaalsContact C-N 3.34Å; Q321-N324 PolarHBondContact O-N 3.05Å; Q321-R325 WeakPolarHBondContact O-CG 3.39Å; Q321-R325 PolarHBondContact O-N 2.86Å
322	E	63.8	Low	56.1	Low	80 Å²	80	123.4 Å²	123.4	37%	0.374	55%	0.546	S	S	.	.	H	α-helix	trans	-64.1	-48	177.9	-137.2	63.5	-107.9	0	0	111.5	D318 L319 N324 R325 D326	D318-E322 PolarHBondContact O-N 2.82Å; L319-E322 PolarHBondContact O-N 3.47Å; E322-N324 PolarHBondContact O-N 3.39Å; E322-R325 WeakPolarHBondContact O-CB 3.5Å; E322-R325 PolarHBondContact O-N 3.31Å; E322-R325 WeakPolarHBondContact OE1-CD 3.46Å; E322-R325 IonicContact OE1-CZ 3.67Å; E322-R325 IonicContact OE1-NE 3.6Å; E322-R325 IonicContact OE1-NH1 3.5Å; E322-R325 PolarHBondContact OE1-NH1 3.15Å; E322-R325 IonicContact OE2-CZ 3.84Å; E322-R325 IonicContact OE2-NH1 3.67Å; E322-R325 PolarHBondContact OE2-NH1 3.38Å; E322-D326 PolarHBondContact O-N 2.9Å
323	I	71.4	Confident	56.6	Low	83 Å²	83	116.2 Å²	116.2	43%	0.426	52%	0.524	S	S	.	.	H	α-helix	trans	-58.1	-36.8	175.4	-67.6	165.9	0	0	0	111.7	L319 K327	L319-I323 HydrophobicContact CG-CD1 4.14Å; L319-I323 VanDerWaalsContact O-CG1 3.31Å; L319-I323 WeakPolarHBondContact O-CG1 3.36Å; L319-I323 PolarHBondContact O-N 3.38Å; I323-K327 HydrophobicContact CG2-CD 4.29Å; I323-K327 WeakPolarHBondContact O-CB 3.27Å; I323-K327 WeakPolarHBondContact O-CG 3.36Å; I323-K327 PolarHBondContact O-N 2.6Å; I323-K327 VanDerWaalsContact O-N 3.1Å
324	N	64.1	Low	56.9	Low	100 Å²	100	117.3 Å²	117.3	54%	0.535	53%	0.525	S	S	.	.	H	α-helix	trans	-74.2	-27.4	175.9	-82	-48.9	0	0	0	113.5	R320 Q321 E322 Q328	R320-N324 WeakPolarHBondContact O-CB 3.34Å; R320-N324 PolarHBondContact O-N 3.09Å; R320-N324 PolarHBondContact O-ND2 2.89Å; Q321-N324 PolarHBondContact O-N 3.05Å; E322-N324 PolarHBondContact O-N 3.39Å; N324-Q328 WeakPolarHBondContact O-CG 3.39Å; N324-Q328 PolarHBondContact O-N 2.72Å
325	R	70.3	Confident	56.8	Low	116 Å²	116	111.3 Å²	111.3	44%	0.438	51%	0.513	S	S	.	.	H	α-helix	trans	-70.2	-43.6	172.5	-71.8	166.2	-171.1	161.7	9.2	111.1	Q321 E322 Q328 R329	Q321-R325 WeakPolarHBondContact O-CG 3.39Å; Q321-R325 PolarHBondContact O-N 2.86Å; E322-R325 WeakPolarHBondContact O-CB 3.5Å; E322-R325 PolarHBondContact O-N 3.31Å; E322-R325 WeakPolarHBondContact OE1-CD 3.46Å; E322-R325 IonicContact OE1-CZ 3.67Å; E322-R325 IonicContact OE1-NE 3.6Å; E322-R325 IonicContact OE1-NH1 3.5Å; E322-R325 PolarHBondContact OE1-NH1 3.15Å; E322-R325 IonicContact OE2-CZ 3.84Å; E322-R325 IonicContact OE2-NH1 3.67Å; E322-R325 PolarHBondContact OE2-NH1 3.38Å; R325-Q328 CarbonylContact O-C 3.54Å; R325-Q328 WeakPolarHBondContact O-CA 3.45Å; R325-Q328 WeakPolarHBondContact O-CB 3.18Å; R325-Q328 PolarHBondContact O-N 2.85Å; R325-Q328 VanDerWaalsContact O-N 3.12Å; R325-R329 WeakPolarHBondContact O-CG 3.37Å; R325-R329 PolarHBondContact O-N 3.18Å
326	D	68.9	Low	56.7	Low	68 Å²	68	112.4 Å²	112.4	36%	0.364	51%	0.508	S	S	.	.	H	α-helix	trans	-69.7	-41	179.8	-72	-32.1	0	0	0	112	E322 Q328 R329 E330	E322-D326 PolarHBondContact O-N 2.9Å; D326-Q328 PolarHBondContact O-N 2.87Å; D326-Q328 VanDerWaalsContact O-N 3.14Å; D326-R329 WeakPolarHBondContact O-CA 3.29Å; D326-R329 WeakPolarHBondContact O-CB 3.35Å; D326-R329 PolarHBondContact O-N 3.36Å; D326-R329 VanDerWaalsContact OD1-CD 3.32Å; D326-R329 WeakPolarHBondContact OD1-CD 3.35Å; D326-R329 IonicContact OD1-CZ 3.87Å; D326-R329 IonicContact OD1-NE 3.65Å; D326-R329 IonicContact OD1-NH1 2.7Å; D326-R329 PolarHBondContact OD1-NH1 3.32Å; D326-E330 PolarHBondContact O-N 3.03Å
327	K	65	Low	56.8	Low	117 Å²	117	111.8 Å²	111.8	51%	0.509	51%	0.506	S	S	.	.	H	α-helix	trans	-61	-22.5	169.2	-72.2	-177.5	178.1	-172.4	0	113.8	I323 R331	I323-K327 HydrophobicContact CG2-CD 4.29Å; I323-K327 WeakPolarHBondContact O-CB 3.27Å; I323-K327 WeakPolarHBondContact O-CG 3.36Å; I323-K327 PolarHBondContact O-N 2.6Å; I323-K327 VanDerWaalsContact O-N 3.1Å; K327-R331 WeakPolarHBondContact O-CD 3.49Å; K327-R331 VanDerWaalsContact O-CG 3.25Å; K327-R331 WeakPolarHBondContact O-CG 3.41Å
328	Q	53.5	Low	56.5	Low	118 Å²	118	117.1 Å²	117.1	55%	0.551	52%	0.522	S	S	*	.	H	α-helix	trans	-84.7	-19.1	169.4	-78.4	-168.7	19.7	0	0	114.1	N324 R325 D326 R332	N324-Q328 WeakPolarHBondContact O-CG 3.39Å; N324-Q328 PolarHBondContact O-N 2.72Å; R325-Q328 CarbonylContact O-C 3.54Å; R325-Q328 WeakPolarHBondContact O-CA 3.45Å; R325-Q328 WeakPolarHBondContact O-CB 3.18Å; R325-Q328 PolarHBondContact O-N 2.85Å; R325-Q328 VanDerWaalsContact O-N 3.12Å; D326-Q328 PolarHBondContact O-N 2.87Å; D326-Q328 VanDerWaalsContact O-N 3.14Å; Q328-R332 VanDerWaalsContact O-CG 3.29Å; Q328-R332 WeakPolarHBondContact O-CG 3.37Å; Q328-R332 PolarHBondContact O-N 3.4Å
329	R	67.1	Low	55.8	Low	145 Å²	145	118.6 Å²	118.6	55%	0.547	53%	0.53	S	S	.	.	H	α-helix	trans	-77.3	-50.4	172.1	-71.4	167.8	175.3	166	-5.3	110.4	R325 D326 R331 R332 D333	R325-R329 WeakPolarHBondContact O-CG 3.37Å; R325-R329 PolarHBondContact O-N 3.18Å; D326-R329 WeakPolarHBondContact O-CA 3.29Å; D326-R329 WeakPolarHBondContact O-CB 3.35Å; D326-R329 PolarHBondContact O-N 3.36Å; D326-R329 VanDerWaalsContact OD1-CD 3.32Å; D326-R329 WeakPolarHBondContact OD1-CD 3.35Å; D326-R329 IonicContact OD1-CZ 3.87Å; D326-R329 IonicContact OD1-NE 3.65Å; D326-R329 IonicContact OD1-NH1 2.7Å; D326-R329 PolarHBondContact OD1-NH1 3.32Å; R329-R331 VanDerWaalsContact C-N 3.3Å; R329-R331 PolarHBondContact O-N 3.17Å; R329-R332 WeakPolarHBondContact O-CA 3.38Å; R329-R332 WeakPolarHBondContact O-CB 3.43Å; R329-R332 PolarHBondContact O-N 3.31Å; R329-D333 PolarHBondContact O-N 3.48Å
330	E	53.8	Low	55	Low	117 Å²	117	123.1 Å²	123.1	55%	0.547	54%	0.54	S	S	.	.	H	α-helix	trans	-53.2	-46.7	176	-65.4	172.8	143.4	0	0	111.6	D326 R332 D333 H334	D326-E330 PolarHBondContact O-N 3.03Å; E330-R332 VanDerWaalsContact C-N 3.27Å; E330-R332 PolarHBondContact O-N 3.42Å; E330-D333 PolarHBondContact O-N 2.86Å; E330-H334 PolarHBondContact O-N 3.12Å
331	R	51.8	Low	54.2	Low	202 Å²	202	127 Å²	127	76%	0.762	56%	0.555	S	S	*	*	H	α-helix	trans	-63.1	-25.6	175.7	-74	178.1	178.9	-132.4	-2.6	114.3	K327 R329 S335	K327-R331 WeakPolarHBondContact O-CD 3.49Å; K327-R331 VanDerWaalsContact O-CG 3.25Å; K327-R331 WeakPolarHBondContact O-CG 3.41Å; R329-R331 VanDerWaalsContact C-N 3.3Å; R329-R331 PolarHBondContact O-N 3.17Å; R331-S335 PolarHBondContact O-N 3.21Å
332	R	47	Very low	53.4	Low	163 Å²	163	125.6 Å²	125.6	62%	0.615	57%	0.565	S	S	*	*	H	α-helix	trans	-80.3	-37.1	174.7	-75.9	175.1	-171.3	-163.6	5.1	112.1	Q328 R329 E330 S335 R336	Q328-R332 VanDerWaalsContact O-CG 3.29Å; Q328-R332 WeakPolarHBondContact O-CG 3.37Å; Q328-R332 PolarHBondContact O-N 3.4Å; R329-R332 WeakPolarHBondContact O-CA 3.38Å; R329-R332 WeakPolarHBondContact O-CB 3.43Å; R329-R332 PolarHBondContact O-N 3.31Å; E330-R332 VanDerWaalsContact C-N 3.27Å; E330-R332 PolarHBondContact O-N 3.42Å; R332-S335 WeakPolarHBondContact O-CB 3.3Å; R332-S335 PolarHBondContact O-N 3.34Å; R332-R336 WeakPolarHBondContact O-CD 3.39Å; R332-R336 WeakPolarHBondContact O-CG 3.3Å; R332-R336 PolarHBondContact O-N 3.42Å
333	D	49.8	Very low	52.4	Low	75 Å²	75	128.9 Å²	128.9	40%	0.401	59%	0.585	S	S	.	*	H	α-helix	trans	-77.8	-34.6	179.7	-67	-37.1	0	0	0	111.8	R329 E330 S335 R336 D337	R329-D333 PolarHBondContact O-N 3.48Å; E330-D333 PolarHBondContact O-N 2.86Å; D333-S335 PolarHBondContact O-N 3.46Å; D333-R336 WeakPolarHBondContact O-CB 3.48Å; D333-R336 PolarHBondContact O-N 2.91Å; D333-R336 VanDerWaalsContact OD1-CD 3.22Å; D333-R336 WeakPolarHBondContact OD1-CD 3.31Å; D333-R336 IonicContact OD1-CZ 2.74Å; D333-R336 IonicContact OD1-NE 3.86Å; D333-R336 IonicContact OD1-NH1 3.41Å; D333-R336 PolarHBondContact OD1-NH1 2.9Å; D333-D337 PolarHBondContact O-N 3.34Å; D333-D337 VanDerWaalsContact O-N 3.12Å
334	H	45.1	Very low	51	Low	141 Å²	141	133.1 Å²	133.1	65%	0.653	61%	0.608	S	S	*	*	H	α-helix	trans	-62.5	-26.4	165.8	-73.8	5.2	0	0	0	113.8	E330	E330-H334 PolarHBondContact O-N 3.12Å
335	S	42.3	Very low	49.8	Very low	67 Å²	67	139.6 Å²	139.6	47%	0.469	63%	0.625	S	S	.	*	H	α-helix	trans	-69.7	-40.5	170.2	-166.7	0	0	0	0	111.5	R331 R332 D333 R338 D339	R331-S335 PolarHBondContact O-N 3.21Å; R332-S335 WeakPolarHBondContact O-CB 3.3Å; R332-S335 PolarHBondContact O-N 3.34Å; D333-S335 PolarHBondContact O-N 3.46Å; S335-R338 PolarHBondContact O-N 3.14Å; S335-D339 PolarHBondContact O-N 2.93Å
336	R	47.9	Very low	48.4	Very low	150 Å²	150	139.4 Å²	139.4	57%	0.566	64%	0.639	S	S	*	*	H	α-helix	trans	-69.9	-31.8	-177.1	-72.7	159	161.4	179.2	-8.7	113.4	R332 D333 R338 D339 R340	R332-R336 WeakPolarHBondContact O-CD 3.39Å; R332-R336 WeakPolarHBondContact O-CG 3.3Å; R332-R336 PolarHBondContact O-N 3.42Å; D333-R336 WeakPolarHBondContact O-CB 3.48Å; D333-R336 PolarHBondContact O-N 2.91Å; D333-R336 VanDerWaalsContact OD1-CD 3.22Å; D333-R336 WeakPolarHBondContact OD1-CD 3.31Å; D333-R336 IonicContact OD1-CZ 2.74Å; D333-R336 IonicContact OD1-NE 3.86Å; D333-R336 IonicContact OD1-NH1 3.41Å; D333-R336 PolarHBondContact OD1-NH1 2.9Å; R336-R338 VanDerWaalsContact C-N 3.3Å; R336-D339 PolarHBondContact O-N 3.25Å; R336-R340 WeakPolarHBondContact O-CG 3.26Å; R336-R340 PolarHBondContact O-N 3.05Å
337	D	46.8	Very low	47	Very low	83 Å²	83	141.6 Å²	141.6	44%	0.444	66%	0.657	S	S	.	*	H	α-helix	trans	-81.6	-4.9	176.5	-73.6	-23.1	0	0	0	114	D333 R340	D333-D337 PolarHBondContact O-N 3.34Å; D333-D337 VanDerWaalsContact O-N 3.12Å; D337-R340 IonicContact OD1-NH1 2.81Å
338	R	42.5	Very low	45.7	Very low	207 Å²	207	141.2 Å²	141.2	78%	0.781	67%	0.666	S	S	*	*	H	α-helix	trans	-81.2	-49.4	160.9	-78.8	-171.3	171.8	-172.1	-2.7	111.3	S335 R336 R340 R341	S335-R338 PolarHBondContact O-N 3.14Å; R336-R338 VanDerWaalsContact C-N 3.3Å; R338-R340 PolarHBondContact O-N 3.5Å; R338-R340 VanDerWaalsContact O-N 3.07Å; R338-R341 PolarHBondContact O-N 2.91Å
339	D	43	Very low	44.9	Very low	121 Å²	121	141.8 Å²	141.8	65%	0.647	68%	0.68	S	S	*	*	H	α-helix	trans	-60.9	-21.8	-179.1	-64.7	-26.5	0	0	0	113.2	S335 R336	S335-D339 PolarHBondContact O-N 2.93Å; R336-D339 PolarHBondContact O-N 3.25Å
340	R	43.9	Very low	43.3	Very low	195 Å²	195	141.5 Å²	141.5	74%	0.736	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-79.8	-13.6	175.3	-78.9	176.5	164.3	175.6	-6.3	115.8	R336 D337 R338 G342	R336-R340 WeakPolarHBondContact O-CG 3.26Å; R336-R340 PolarHBondContact O-N 3.05Å; D337-R340 IonicContact OD1-NH1 2.81Å; R338-R340 PolarHBondContact O-N 3.5Å; R338-R340 VanDerWaalsContact O-N 3.07Å; R340-G342 VanDerWaalsContact C-N 3.34Å
341	R	44	Very low	42.3	Very low	226 Å²	226	144 Å²	144	85%	0.853	71%	0.712	S	S	*	*	G	3₁₀ helix	trans	-93	11.7	177	-57.4	-169.5	-161.5	-155.7	3.9	113.6	R338	R338-R341 PolarHBondContact O-N 2.91Å
342	G	39.1	Very low	41.4	Very low	63 Å²	63	143 Å²	143	65%	0.649	72%	0.718	S	S	*	*	G	3₁₀ helix	trans	-104.2	6.6	-178.8	0	0	0	0	0	115.8	R340	R340-G342 VanDerWaalsContact C-N 3.34Å
343	L	42.9	Very low	40.7	Very low	150 Å²	150	146.9 Å²	146.9	79%	0.785	73%	0.733	S	S	*	*			trans	-126.1	30.7	-167.3	-71.3	177.9	0	0	0	115.5
344	D	42.4	Very low	40.6	Very low	171 Å²	171	149.5 Å²	149.5	91%	0.914	75%	0.753	S	S	*	*			trans	-131.7	89.1	162.7	-87.4	-56	0	0	0	110.1
345	R	37.4	Very low	39.7	Very low	236 Å²	236	146.3 Å²	146.3	89%	0.891	76%	0.759	S	S	*	*			trans	-139.4	114.5	167.6	-168.1	178.8	-170.1	-172.7	3.8	109
346	P	41.6	Very low	39.1	Very low	113 Å²	113	154.8 Å²	154.8	73%	0.734	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-70.9	150.3	-179.1	29	-34.6	0	0	0	111.5
347	P	40.2	Very low	38.3	Very low	114 Å²	114	152.1 Å²	152.1	74%	0.74	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-72.8	155.1	168.7	32.5	-34.7	0	0	0	111
348	P	37.4	Very low	37.5	Very low	109 Å²	109	158.8 Å²	158.8	71%	0.708	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-69.6	153.8	174.3	30.9	-35.4	0	0	0	111.7
349	P	36.9	Very low	37	Very low	129 Å²	129	154.4 Å²	154.4	84%	0.838	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-72.1	153.4	175.6	31.8	-35.5	0	0	0	111.9
350	T	34.2	Very low	36.4	Very low	139 Å²	139	158.3 Å²	158.3	85%	0.853	80%	0.804	S	S	*	*			trans	-129.8	144.8	170.9	46.2	0	0	0	0	110.9
351	D	32.8	Very low	35.9	Very low	170 Å²	170	155 Å²	155	91%	0.909	80%	0.801	S	S	*	*			trans	-71	154.1	-168.2	-78.2	-63.3	0	0	0	115.9
352	M	32.2	Very low	35.3	Very low	181 Å²	181	150.4 Å²	150.4	89%	0.892	80%	0.797	S	S	*	*			trans	-90.7	117.4	170.2	-84	-79.7	-173.4	0	0	112
353	R	32.1	Very low	35	Very low	245 Å²	245	158.9 Å²	158.9	93%	0.925	81%	0.81	S	S	*	*			trans	-159.9	156.9	140.3	-108.1	163.3	-168.1	-114.7	-0	111.5
354	P	46.9	Very low	35	Very low	129 Å²	129	157.5 Å²	157.5	84%	0.838	81%	0.81	S	S	*	*			trans	-116	163.5	-147.7	41.3	-35.4	0	0	0	116.6
355	G	27.9	Very low	34.5	Very low	74 Å²	74	154.6 Å²	154.6	76%	0.763	80%	0.803	S	S	*	*			trans	171.8	127.8	156.8	0	0	0	0	0	119.2
356	R	29.5	Very low	34.2	Very low	245 Å²	245	153.5 Å²	153.5	93%	0.925	80%	0.798	S	S	*	*			trans	69	88.4	145.3	-58.4	-174.6	176.8	-158.8	-1.4	121.6
357	A	29.5	Very low	33.6	Very low	94 Å²	94	154.3 Å²	154.3	78%	0.777	79%	0.794	S	S	*	*				60.6	152.2	108.1	0	0	0	0	0	123.7
358	R	31.6	Very low	33	Very low	223 Å²	223	155.7 Å²	155.7	84%	0.842	79%	0.791	S	S	*	*			trans	76.1	150.8	169.9	-63.2	-173.2	178.4	157.7	-0.1	116.8
359	E	30.8	Very low	32.5	Very low	116 Å²	116	160.7 Å²	160.7	54%	0.542	80%	0.796	S	S	.	*			cis	-168.2	144	-25.9	-115	180	105.9	0	0	108.4
360	R	31.1	Very low	32.1	Very low	202 Å²	202	159.2 Å²	159.2	76%	0.762	79%	0.788	S	S	*	*			trans	60.9	167.8	154.1	-63.5	-174.5	-146.2	-147.2	6.6	117.4
361	D	32.4	Very low	31.9	Very low	127 Å²	127	160.8 Å²	160.8	68%	0.679	79%	0.786	S	S	*	*			cis	-157.2	-172.1	-29.1	-101	-26.7	0	0	0	108.1
362	V	32.6	Very low	31.8	Very low	129 Å²	129	157.2 Å²	157.2	78%	0.782	77%	0.774	S	S	*	*			trans	77	101.8	156.9	-166.4	0	0	0	0	118
363	R	31.6	Very low	31.6	Very low	241 Å²	241	160.1 Å²	160.1	91%	0.909	78%	0.775	S	S	*	*			trans	-78.8	154.3	141.2	-71.3	179.6	167.2	-168.8	-2.7	109.1
364	P	44.4	Very low	31.5	Very low	121 Å²	121	153.8 Å²	153.8	79%	0.786	77%	0.768	S	S	*	*				-143.7	152.2	104.9	34.9	-19.8	0	0	0	116
365	S	31.4	Very low	31.1	Very low	109 Å²	109	157.3 Å²	157.3	76%	0.762	77%	0.77	S	S	*	*			trans	-70.5	157.2	176.3	74.6	0	0	0	0	114.5
366	R	31.2	Very low	31.1	Very low	213 Å²	213	162.6 Å²	162.6	80%	0.804	77%	0.773	S	S	*	*				-167.2	152.6	115.3	-118.6	-178.7	165.5	141.2	-0.8	115.4
367	M	28.5	Very low	31.3	Very low	130 Å²	130	159.9 Å²	159.9	64%	0.64	77%	0.77	S	S	*	*			trans	17.4	148.6	134.5	-74.6	162.6	57.7	0	0	120.1
368	Q	27.9	Very low	31.6	Very low	144 Å²	144	159.7 Å²	159.7	67%	0.673	76%	0.764	S	S	*	*			cis	-178.9	174.6	-7.8	-120.4	-179.9	7.2	0	0	108.4
369	R	27.3	Very low	31.8	Very low	214 Å²	214	154.8 Å²	154.8	81%	0.808	75%	0.754	S	S	*	*			trans	70.6	94.7	151.4	-80.1	176.7	172.4	164.3	-1.5	121.6
370	S	28.2	Very low	32	Very low	98 Å²	98	161 Å²	161	69%	0.685	77%	0.773	S	S	*	*				58.5	133.7	106.7	68.4	0	0	0	0	124.2
371	H	29.7	Very low	32.2	Very low	172 Å²	172	162.6 Å²	162.6	80%	0.796	78%	0.779	S	S	*	*			trans	96.7	93.2	139.4	-91.3	66.2	0	0	0	122.8
372	S	31.4	Very low	32.5	Very low	95 Å²	95	167.2 Å²	167.2	66%	0.664	79%	0.786	S	S	*	*				76.9	153.3	125.3	75.5	0	0	0	0	122.6
373	R	27.5	Very low	32.5	Very low	241 Å²	241	170 Å²	170	91%	0.909	79%	0.791	S	S	*	*			trans	75.2	147.8	177.3	-62.9	-178.9	174.7	-176.7	-2.8	115.4
374	S	30.3	Very low	32.6	Very low	113 Å²	113	170 Å²	170	79%	0.79	79%	0.791	S	S	*	*			cis	-157.4	163.9	-10.7	37.2	0	0	0	0	112.6	F376	S374-F376 PolarHBondContact O-N 3.43Å
375	K	37.7	Very low	32.1	Very low	202 Å²	202	173.4 Å²	173.4	88%	0.878	80%	0.796	S	S	*	*			trans	-79.5	94	-175.5	179.8	-170.8	-179.7	-176.2	0	112.9
376	F	29.5	Very low	32.1	Very low	186 Å²	186	179.6 Å²	179.6	82%	0.816	80%	0.803	S	S	*	*			trans	-157.2	62.1	166.8	-156.3	-96.2	0	0	0	114.1	S374	S374-F376 PolarHBondContact O-N 3.43Å
377	E	32.8	Very low	32	Very low	187 Å²	187	178.5 Å²	178.5	87%	0.874	81%	0.807	S	S	*	*			trans	-153.1	44.7	174.2	-149.6	164.5	-139.3	0	0	113.8
378	S	35.6	Very low	31.9	Very low	91 Å²	91	182.1 Å²	182.1	64%	0.636	82%	0.819	S	S	*	*			trans	-111.4	-14.9	-178.9	-57.8	0	0	0	0	114.8	R380	S378-R380 PolarHBondContact O-N 3.22Å
379	D	35.3	Very low	32.2	Very low	120 Å²	120	182.4 Å²	182.4	64%	0.642	83%	0.826	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99	29.1	-168.1	-59.4	-53.7	0	0	0	114.2
380	R	36	Very low	32.2	Very low	247 Å²	247	183.5 Å²	183.5	93%	0.932	83%	0.829	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.2	6.9	172.4	-82.6	-174.2	170.7	174.5	-2.6	115.1	S378	S378-R380 PolarHBondContact O-N 3.22Å
381	R	34.3	Very low	32.2	Very low	235 Å²	235	184.1 Å²	184.1	89%	0.887	83%	0.825	S	S	*	*	S	Bend	trans	-122.1	8.4	-179.3	-146.3	176.4	-178.5	178.5	0.7	115.1
382	R	39	Very low	32.2	Very low	223 Å²	223	186.5 Å²	186.5	84%	0.842	83%	0.827	S	S	*	*	S	Bend	trans	-98.5	2.7	-179.5	-91.1	-179.5	168.4	164.2	-4.3	115.4
383	E	32.5	Very low	31.9	Very low	188 Å²	188	185.8 Å²	185.8	88%	0.879	84%	0.835	S	S	*	*	S	Bend	trans	-128	31.8	-165	-158.9	157.4	-130.8	0	0	113.5
384	R	33.8	Very low	31.9	Very low	242 Å²	242	178.6 Å²	178.6	91%	0.913	84%	0.836	S	S	*	*	S	Bend	trans	-132.9	-2.6	174.8	-77.1	-167	173.1	-173.3	-2.6	116.4
385	E	33.6	Very low	31.7	Very low	191 Å²	191	177.1 Å²	177.1	89%	0.893	84%	0.838	S	S	*	*	S	Bend	trans	-117	45	-177.8	-70.2	172.4	-171.6	0	0	111.6
386	R	32.4	Very low	31.3	Very low	240 Å²	240	178.9 Å²	178.9	91%	0.906	84%	0.84	S	S	*	*			trans	-137.9	54.2	171	-79.5	-170.5	171.7	167.8	-3.6	112
387	Q	28.4	Very low	31.2	Very low	189 Å²	189	177.1 Å²	177.1	88%	0.883	84%	0.843	S	S	*	*			trans	-159	93.5	166.1	-119.1	176.4	7.8	0	0	112.1
388	K	27.6	Very low	30.9	Very low	206 Å²	206	171.2 Å²	171.2	90%	0.896	83%	0.833	S	S	*	*			trans	159.6	90.2	136.9	-88.2	173.3	180	-175.3	0	111.2
389	D	33	Very low	30.5	Very low	151 Å²	151	171.9 Å²	171.9	81%	0.807	84%	0.844	S	S	*	*			trans	-76.4	169.9	150.7	-69.2	-63	0	0	0	110.3
390	R	26.9	Very low	30.1	Very low	236 Å²	236	177.3 Å²	177.3	89%	0.891	86%	0.855	S	S	*	*			trans	77.9	132	174	-50	172.5	-175.6	170.7	-0.2	112.8
391	D	29.5	Very low	29.7	Very low	112 Å²	112	171.3 Å²	171.3	60%	0.599	85%	0.851	S	S	*	*			cis	-150.4	160	38.2	-113.2	-25.8	0	0	0	114.3
392	R	29.7	Very low	29.2	Very low	221 Å²	221	163 Å²	163	83%	0.834	84%	0.839	S	S	*	*			trans	45.8	142.1	145.8	-58.8	166	175.8	119.4	2.6	121.1
393	G	25.1	Very low	28.7	Very low	80 Å²	80	159.1 Å²	159.1	83%	0.825	84%	0.841	S	S	*	*			cis	136.1	125.7	-9.4	0	0	0	0	0	115.2
394	G	26.5	Very low	28.5	Very low	90 Å²	90	156.2 Å²	156.2	93%	0.928	83%	0.831	S	S	*	*			trans	105.5	151	160.7	0	0	0	0	0	118.1
395	G	26.3	Very low	28.2	Very low	82 Å²	82	151.5 Å²	151.5	85%	0.845	82%	0.824	S	S	*	*			trans	147.7	134.9	172	0	0	0	0	0	114.9
396	R	28.9	Very low	28	Very low	240 Å²	240	145.6 Å²	145.6	91%	0.906	81%	0.814	S	S	*	*			trans	-156.2	166.8	178.8	-113.7	-171.8	176.8	-169	-0.3	110.1
397	V	27.7	Very low	28	Very low	148 Å²	148	140 Å²	140	90%	0.897	80%	0.802	S	S	*	*			trans	74.6	142.3	172.7	-164.5	0	0	0	0	114.3
398	G	26.4	Very low	28.2	Very low	63 Å²	63	139.6 Å²	139.6	65%	0.649	79%	0.793	S	S	*	*			cis	152.9	172.2	-8.9	0	0	0	0	0	113.1
399	A	26.9	Very low	28.6	Very low	105 Å²	105	134.7 Å²	134.7	87%	0.868	78%	0.776	S	S	*	*			trans	67.3	166.4	171.3	0	0	0	0	0	118.1
400	R	26.6	Very low	28.5	Very low	234 Å²	234	137.1 Å²	137.1	88%	0.883	77%	0.774	S	S	*	*			cis	-174.1	160.2	-39.7	-159.6	175	-165.9	-173.2	3.5	108.9
401	S	27.5	Very low	28.6	Very low	121 Å²	121	135.7 Å²	135.7	85%	0.846	77%	0.77	S	S	*	*			trans	68.6	157.1	175.2	74.7	0	0	0	0	116.8
402	G	25.1	Very low	28.6	Very low	62 Å²	62	139.4 Å²	139.4	64%	0.639	78%	0.781	S	S	*	*			cis	147.1	161.4	-9.1	0	0	0	0	0	113.8
403	T	27.6	Very low	28.7	Very low	141 Å²	141	132.3 Å²	132.3	87%	0.865	78%	0.776	S	S	*	*			trans	66.7	152.3	167.7	23.3	0	0	0	0	117.3
404	D	29.1	Very low	29	Very low	127 Å²	127	133.2 Å²	133.2	68%	0.679	77%	0.77	S	S	*	*			cis	-159.9	163.2	-5.4	-161.9	19.1	0	0	0	113.7
405	N	27.9	Very low	29.2	Very low	142 Å²	142	136.4 Å²	136.4	76%	0.759	77%	0.765	S	S	*	*			trans	39.5	146.3	149.8	-90.5	-46.4	0	0	0	125.8
406	G	28.1	Very low	29.5	Very low	67 Å²	67	137.5 Å²	137.5	69%	0.691	76%	0.76	S	S	*	*			trans	145.2	78.8	140.1	0	0	0	0	0	121.6
407	D	32.6	Very low	29.6	Very low	123 Å²	123	134.4 Å²	134.4	66%	0.658	76%	0.756	S	S	*	*				30.1	147.3	120.9	-90.1	-22.2	0	0	0	122.6
408	R	33.3	Very low	29.6	Very low	180 Å²	180	130.6 Å²	130.6	68%	0.679	75%	0.746	S	S	*	*			cis	-172.6	164.2	3.7	-143.9	179.4	-83.4	167.6	-3.5	113
409	D	35.5	Very low	29.8	Very low	104 Å²	104	135.7 Å²	135.7	56%	0.556	75%	0.753	S	S	*	*			trans	61.2	158.7	147.9	-69.9	-38	0	0	0	121.3
410	R	31.3	Very low	29.9	Very low	201 Å²	201	135.7 Å²	135.7	76%	0.758	74%	0.739	S	S	*	*			cis	-163	135.2	-14.8	-102	166.1	-142.9	173.7	17	107.2
411	Y	29.9	Very low	30.1	Very low	207 Å²	207	132.8 Å²	132.8	81%	0.812	73%	0.732	S	S	*	*				91.1	147.4	67.6	-155.7	-92.4	0	0	0	116.6
412	K	29.4	Very low	30.2	Very low	190 Å²	190	133.7 Å²	133.7	83%	0.826	73%	0.727	S	S	*	*			trans	83.3	142.5	-174.6	-53.1	-173.1	179.1	-177.1	0	116.2
413	G	30.4	Very low	30.4	Very low	71 Å²	71	136 Å²	136	73%	0.732	73%	0.725	S	S	*	*			cis	131.7	154.3	-7	0	0	0	0	0	114.6
414	S	32.9	Very low	30.5	Very low	100 Å²	100	136 Å²	136	70%	0.699	71%	0.713	S	S	*	*			cis	-171.9	158	-6.5	-65.5	0	0	0	0	111.8
415	L	29.8	Very low	30.4	Very low	156 Å²	156	137 Å²	137	82%	0.817	71%	0.714	S	S	*	*			trans	70.8	165.7	163.2	-55.4	168.3	0	0	0	117.4
416	S	32.2	Very low	30.3	Very low	105 Å²	105	136 Å²	136	73%	0.734	72%	0.717	S	S	*	*			cis	-149.8	147.7	14.6	38.5	0	0	0	0	110.8
417	E	31.1	Very low	30.2	Very low	176 Å²	176	137.5 Å²	137.5	82%	0.822	72%	0.717	S	S	*	*				93.1	143.4	62.9	-66.3	-169.2	111.4	0	0	117.4
418	G	29.1	Very low	29.9	Very low	68 Å²	68	139 Å²	139	70%	0.701	73%	0.725	S	S	*	*			trans	117.9	105.7	171.5	0	0	0	0	0	114.2
419	Q	30.4	Very low	29.8	Very low	170 Å²	170	139.9 Å²	139.9	79%	0.794	74%	0.737	S	S	*	*				74	140.6	57.5	-65.4	-165	5.2	0	0	114.4
420	N	28.7	Very low	29.7	Very low	105 Å²	105	144 Å²	144	56%	0.561	75%	0.753	S	S	*	*			cis	-168	148.7	2.4	-120.2	-28	0	0	0	112.4
421	K	31	Very low	29.5	Very low	172 Å²	172	140.7 Å²	140.7	75%	0.748	76%	0.755	S	S	*	*			trans	64	163.1	144.4	-64.9	175.4	178.1	-174.4	0	118.9
422	L	29.6	Very low	29.7	Very low	140 Å²	140	138.4 Å²	138.4	73%	0.733	76%	0.757	S	S	*	*			cis	-171.7	173.7	-17.8	-101.7	173.2	0	0	0	106.6
423	D	28.8	Very low	29.6	Very low	111 Å²	111	134 Å²	134	59%	0.594	75%	0.745	S	S	*	*			cis	-160.2	174.8	2.7	-151.4	-7.1	0	0	0	110.6
424	K	30.5	Very low	29.6	Very low	140 Å²	140	138 Å²	138	61%	0.609	75%	0.75	S	S	*	*			trans	60.6	156.9	145	-80.4	170.4	177.6	-66.8	0	122.5
425	E	26.5	Very low	29.3	Very low	150 Å²	150	139.6 Å²	139.6	70%	0.701	75%	0.749	S	S	*	*			cis	-168	148.8	-22.9	-134.1	157.8	-147.2	0	0	111.7
426	S	25.2	Very low	29.4	Very low	120 Å²	120	139.5 Å²	139.5	84%	0.839	75%	0.75	S	S	*	*			trans	75.3	143.4	148.3	-152.5	0	0	0	0	125.1
427	S	26.6	Very low	29.3	Very low	98 Å²	98	141.7 Å²	141.7	69%	0.685	75%	0.751	S	S	*	*			trans	87.7	89	146.5	-157.5	0	0	0	0	123.2
428	D	26.6	Very low	29.6	Very low	154 Å²	154	140.9 Å²	140.9	82%	0.824	75%	0.752	S	S	*	*				38.4	149.3	119.4	-54.5	-12.1	0	0	0	125.5
429	E	29.7	Very low	30	Very low	199 Å²	199	144.3 Å²	144.3	93%	0.93	75%	0.75	S	S	*	*			trans	86.1	153	163.7	-58.8	-145.7	158.9	0	0	121
430	E	33.5	Very low	30.4	Very low	192 Å²	192	145 Å²	145	90%	0.897	75%	0.753	S	S	*	*			trans	-96.4	130.4	-152.5	-55.3	-179.9	144.1	0	0	114.3
431	V	28.2	Very low	30.9	Very low	130 Å²	130	145.8 Å²	145.8	79%	0.788	76%	0.757	S	S	*	*			trans	-137.9	130.8	156	-176.1	0	0	0	0	109.9	V433	V431-V433 HydrophobicContact CG1-CG2 4.37Å; V431-V433 PolarHBondContact O-N 3.07Å
432	N	33.3	Very low	31.6	Very low	160 Å²	160	140.2 Å²	140.2	86%	0.856	74%	0.736	S	S	*	*			trans	-74.6	118.5	177	-169.3	23	0	0	0	110.5
433	V	28	Very low	32.2	Very low	96 Å²	96	140.2 Å²	140.2	58%	0.582	73%	0.732	S	S	*	*			trans	-126.7	124.9	-176.9	177.7	0	0	0	0	109.9	V431 I435	V431-V433 HydrophobicContact CG1-CG2 4.37Å; V431-V433 PolarHBondContact O-N 3.07Å; V433-I435 HydrophobicContact CG1-CG1 4.38Å; V433-I435 PolarHBondContact O-N 3.4Å
434	N	29.8	Very low	33.4	Very low	155 Å²	155	142.5 Å²	142.5	83%	0.829	74%	0.739	S	S	*	*			trans	-67.2	118.9	165.2	-72	-11.1	0	0	0	108.4
435	I	26.9	Very low	34.5	Very low	135 Å²	135	142.7 Å²	142.7	69%	0.692	74%	0.736	S	S	*	*			trans	-101.1	116.2	173.1	-61.7	176	0	0	0	107.8	V433 I437	V433-I435 HydrophobicContact CG1-CG1 4.38Å; V433-I435 PolarHBondContact O-N 3.4Å; I435-I437 HydrophobicContact CG2-CG1 4.05Å; I435-I437 PolarHBondContact O-N 2.9Å
436	D	31.9	Very low	35.8	Very low	154 Å²	154	139 Å²	139	82%	0.824	72%	0.72	S	S	*	*			trans	-70.4	105.1	165.1	-71.9	-51.1	0	0	0	108.4	L438	D436-L438 PolarHBondContact O-N 2.84Å; D436-L438 VanDerWaalsContact O-N 3.16Å
437	I	30.3	Very low	37.4	Very low	150 Å²	150	138 Å²	138	77%	0.769	70%	0.704	S	S	*	*			trans	-82.6	95	179.7	-57.3	178.6	0	0	0	109.4	I435	I435-I437 HydrophobicContact CG2-CG1 4.05Å; I435-I437 PolarHBondContact O-N 2.9Å
438	L	36.3	Very low	39.1	Very low	160 Å²	160	139 Å²	139	84%	0.838	70%	0.698	S	S	*	*			trans	-111.7	81	163.1	-78.7	173	0	0	0	109	D436	D436-L438 PolarHBondContact O-N 2.84Å; D436-L438 VanDerWaalsContact O-N 3.16Å
439	E	37.9	Very low	40.5	Very low	139 Å²	139	137.3 Å²	137.3	65%	0.65	69%	0.689	S	S	*	*			trans	-163.8	78.3	176	-114.5	151.8	-153.3	0	0	113.1	D441 D442	E439-D441 VanDerWaalsContact C-N 3.32Å; E439-D442 HydrophobicContact CG-CB 4.47Å
440	E	39.5	Very low	41.5	Very low	185 Å²	185	136.3 Å²	136.3	86%	0.864	68%	0.676	S	S	*	*	S	Bend	trans	-73.4	-27.1	163.6	-69.3	-176.2	131.3	0	0	111.5	D442	E440-D442 VanDerWaalsContact C-N 3.25Å; E440-D442 PolarHBondContact O-N 3.19Å
441	D	38.8	Very low	42.7	Very low	122 Å²	122	135.2 Å²	135.2	65%	0.652	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-8.9	-173.4	-80.3	-29.4	0	0	0	115.6	E439 R445	E439-D441 VanDerWaalsContact C-N 3.32Å; D441-R445 PolarHBondContact O-NE 2.96Å
442	D	45.3	Very low	44.2	Very low	55 Å²	55	135.4 Å²	135.4	29%	0.294	65%	0.654	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.1	-20.7	-175.8	-118	39.8	0	0	0	113.6	E439 E440 E444 R445 I446	E439-D442 HydrophobicContact CG-CB 4.47Å; E440-D442 VanDerWaalsContact C-N 3.25Å; E440-D442 PolarHBondContact O-N 3.19Å; D442-E444 PolarHBondContact O-N 3.22Å; D442-R445 PolarHBondContact O-N 3.38Å; D442-R445 VanDerWaalsContact OD1-CD 3.27Å; D442-R445 WeakPolarHBondContact OD1-CD 3.36Å; D442-R445 IonicContact OD1-CZ 2.74Å; D442-R445 IonicContact OD1-NE 3.39Å; D442-R445 PolarHBondContact OD1-NE 2.95Å; D442-R445 IonicContact OD1-NH1 2.68Å; D442-R445 PolarHBondContact OD1-NH1 2.84Å; D442-R445 IonicContact OD1-NH2 3.21Å; D442-I446 VanDerWaalsContact O-CG1 3.32Å; D442-I446 WeakPolarHBondContact O-CG1 3.42Å; D442-I446 PolarHBondContact O-N 3.48Å
443	E	43.1	Very low	45	Very low	140 Å²	140	134.9 Å²	134.9	65%	0.654	64%	0.644	S	S	*	*	H	α-helix	trans	-62.8	-43.5	175.7	-70.9	-137.8	140.2	0	0	112	R445 I446 I447	E443-R445 VanDerWaalsContact C-N 3.29Å; E443-R445 PolarHBondContact O-N 2.77Å; E443-I446 PolarHBondContact O-N 2.75Å; E443-I447 VanDerWaalsContact O-CG1 3.27Å; E443-I447 WeakPolarHBondContact O-CG1 3.35Å; E443-I447 PolarHBondContact O-N 3.35Å
444	E	52.7	Low	46	Very low	159 Å²	159	139.6 Å²	139.6	74%	0.743	65%	0.652	S	S	*	*	H	α-helix	trans	-60.4	-39.3	176.6	-69	-153.1	138.1	0	0	111.7	D442 I447 E448	D442-E444 PolarHBondContact O-N 3.22Å; E444-I447 PolarHBondContact O-N 3.29Å; E444-E448 WeakPolarHBondContact O-CB 3.44Å; E444-E448 PolarHBondContact O-N 3.36Å
445	R	54	Low	47.1	Very low	143 Å²	143	136.9 Å²	136.9	54%	0.54	63%	0.634	S	S	.	*	H	α-helix	trans	-66.2	-39.8	177.3	-54.9	-178.9	-155.8	164.4	0	111.4	D441 D442 E443 E448 L449	D441-R445 PolarHBondContact O-NE 2.96Å; D442-R445 PolarHBondContact O-N 3.38Å; D442-R445 VanDerWaalsContact OD1-CD 3.27Å; D442-R445 WeakPolarHBondContact OD1-CD 3.36Å; D442-R445 IonicContact OD1-CZ 2.74Å; D442-R445 IonicContact OD1-NE 3.39Å; D442-R445 PolarHBondContact OD1-NE 2.95Å; D442-R445 IonicContact OD1-NH1 2.68Å; D442-R445 PolarHBondContact OD1-NH1 2.84Å; D442-R445 IonicContact OD1-NH2 3.21Å; E443-R445 VanDerWaalsContact C-N 3.29Å; E443-R445 PolarHBondContact O-N 2.77Å; R445-E448 PolarHBondContact O-N 2.94Å; R445-L449 WeakPolarHBondContact O-CB 3.21Å; R445-L449 PolarHBondContact O-N 3.4Å
446	I	53.8	Low	48.1	Very low	72 Å²	72	136 Å²	136	37%	0.369	63%	0.627	S	S	.	*	H	α-helix	trans	-66.5	-39	175.7	-69.6	165.4	0	0	0	110.8	D442 E443 R450	D442-I446 VanDerWaalsContact O-CG1 3.32Å; D442-I446 WeakPolarHBondContact O-CG1 3.42Å; D442-I446 PolarHBondContact O-N 3.48Å; E443-I446 PolarHBondContact O-N 2.75Å; I446-R450 WeakPolarHBondContact O-CB 3.31Å; I446-R450 VanDerWaalsContact O-CG 3.22Å; I446-R450 WeakPolarHBondContact O-CG 3.46Å; I446-R450 PolarHBondContact O-N 3.42Å
447	I	59.2	Low	48.8	Very low	100 Å²	100	134.9 Å²	134.9	51%	0.513	62%	0.62	S	S	.	*	H	α-helix	trans	-65.8	-46.8	175	-69.6	163.9	0	0	0	110.8	E443 E444 R450 R451	E443-I447 VanDerWaalsContact O-CG1 3.27Å; E443-I447 WeakPolarHBondContact O-CG1 3.35Å; E443-I447 PolarHBondContact O-N 3.35Å; E444-I447 PolarHBondContact O-N 3.29Å; I447-R450 PolarHBondContact O-N 3.49Å; I447-R451 WeakPolarHBondContact O-CB 3.48Å; I447-R451 PolarHBondContact O-N 3.49Å
448	E	62.3	Low	49.7	Very low	119 Å²	119	134.1 Å²	134.1	56%	0.556	62%	0.617	S	S	*	*	H	α-helix	trans	-60.5	-45.3	176.2	-168.3	91.4	-77.3	0	0	111.3	E444 R445 R450 R451 K452	E444-E448 WeakPolarHBondContact O-CB 3.44Å; E444-E448 PolarHBondContact O-N 3.36Å; R445-E448 PolarHBondContact O-N 2.94Å; E448-R450 PolarHBondContact O-N 2.81Å; E448-R451 WeakPolarHBondContact O-CB 3.48Å; E448-R451 PolarHBondContact O-N 2.73Å; E448-K452 WeakPolarHBondContact O-CB 3.32Å; E448-K452 PolarHBondContact O-N 2.86Å
449	L	55.5	Low	50.2	Low	119 Å²	119	133.2 Å²	133.2	62%	0.623	61%	0.606	S	S	*	*	H	α-helix	trans	-59.1	-46	173.8	-91	162.6	0	0	0	112.1	R445 R451 K452 K453	R445-L449 WeakPolarHBondContact O-CB 3.21Å; R445-L449 PolarHBondContact O-N 3.4Å; L449-R451 VanDerWaalsContact C-N 3.31Å; L449-R451 PolarHBondContact O-N 2.99Å; L449-K452 PolarHBondContact O-N 3.44Å; L449-K453 WeakPolarHBondContact O-CB 3.31Å; L449-K453 PolarHBondContact O-N 3.23Å
450	R	51.5	Low	50.5	Low	177 Å²	177	134.3 Å²	134.3	67%	0.668	62%	0.616	S	S	*	*	H	α-helix	trans	-63.2	-36.6	176.4	-75.3	169.3	176.3	176.8	1.3	112	I446 I447 E448 R454	I446-R450 WeakPolarHBondContact O-CB 3.31Å; I446-R450 VanDerWaalsContact O-CG 3.22Å; I446-R450 WeakPolarHBondContact O-CG 3.46Å; I446-R450 PolarHBondContact O-N 3.42Å; I447-R450 PolarHBondContact O-N 3.49Å; E448-R450 PolarHBondContact O-N 2.81Å; R450-R454 PolarHBondContact O-N 3.2Å
451	R	58.6	Low	50.9	Low	169 Å²	169	128.5 Å²	128.5	64%	0.638	61%	0.605	S	S	*	*	H	α-helix	trans	-65.8	-49	175.8	-163.4	-179.8	-162.5	164.6	6.1	111.2	I447 E448 L449 K453 R454 E455	I447-R451 WeakPolarHBondContact O-CB 3.48Å; I447-R451 PolarHBondContact O-N 3.49Å; E448-R451 WeakPolarHBondContact O-CB 3.48Å; E448-R451 PolarHBondContact O-N 2.73Å; L449-R451 VanDerWaalsContact C-N 3.31Å; L449-R451 PolarHBondContact O-N 2.99Å; R451-K453 PolarHBondContact O-N 2.82Å; R451-R454 WeakPolarHBondContact O-CB 3.4Å; R451-R454 PolarHBondContact O-N 3.09Å; R451-R454 VanDerWaalsContact O-N 3.17Å; R451-E455 PolarHBondContact O-N 2.88Å; R451-E455 VanDerWaalsContact O-N 3.17Å
452	K	60.6	Low	50.6	Low	134 Å²	134	128.3 Å²	128.3	58%	0.583	61%	0.609	S	S	*	*	H	α-helix	trans	-62.1	-41.9	178.7	-159.2	169.6	-172.9	174.1	0	112.2	E448 L449 R454 E455 E456	E448-K452 WeakPolarHBondContact O-CB 3.32Å; E448-K452 PolarHBondContact O-N 2.86Å; L449-K452 PolarHBondContact O-N 3.44Å; K452-R454 VanDerWaalsContact C-N 3.29Å; K452-R454 PolarHBondContact O-N 3.33Å; K452-E455 WeakPolarHBondContact O-CB 3.34Å; K452-E455 PolarHBondContact O-N 2.93Å; K452-E455 VanDerWaalsContact O-N 3.08Å; K452-E456 PolarHBondContact O-N 3.4Å
453	K	48.6	Very low	50	Low	149 Å²	149	129.2 Å²	129.2	65%	0.648	63%	0.631	S	S	*	*	H	α-helix	trans	-64.9	-29.6	176.2	-149.7	168.6	-168.1	173.6	0	113	L449 R451 L457	L449-K453 WeakPolarHBondContact O-CB 3.31Å; L449-K453 PolarHBondContact O-N 3.23Å; R451-K453 PolarHBondContact O-N 2.82Å; K453-L457 WeakPolarHBondContact O-CG 3.25Å; K453-L457 PolarHBondContact O-N 3.03Å
454	R	49.1	Very low	49.3	Very low	196 Å²	196	132.1 Å²	132.1	74%	0.74	65%	0.645	S	S	*	*	H	α-helix	trans	-69.9	-39.1	169.6	-97.8	-176.7	171.2	178.9	-1.4	112.6	R450 R451 K452 L457 L458	R450-R454 PolarHBondContact O-N 3.2Å; R451-R454 WeakPolarHBondContact O-CB 3.4Å; R451-R454 PolarHBondContact O-N 3.09Å; R451-R454 VanDerWaalsContact O-N 3.17Å; K452-R454 VanDerWaalsContact C-N 3.29Å; K452-R454 PolarHBondContact O-N 3.33Å; R454-L457 PolarHBondContact O-N 3.1Å; R454-L458 WeakPolarHBondContact O-CG 3.47Å; R454-L458 PolarHBondContact O-N 3.26Å; R454-L458 VanDerWaalsContact O-N 3.11Å
455	E	54.1	Low	48.2	Very low	97 Å²	97	133.2 Å²	133.2	45%	0.453	65%	0.65	S	S	.	*	H	α-helix	trans	-66.9	-37.2	175.5	-69.1	-166.1	-177.4	0	0	113.1	R451 K452 L458 K459	R451-E455 PolarHBondContact O-N 2.88Å; R451-E455 VanDerWaalsContact O-N 3.17Å; K452-E455 WeakPolarHBondContact O-CB 3.34Å; K452-E455 PolarHBondContact O-N 2.93Å; K452-E455 VanDerWaalsContact O-N 3.08Å; E455-L458 PolarHBondContact O-N 3.15Å; E455-K459 WeakPolarHBondContact O-CB 3.24Å; E455-K459 WeakPolarHBondContact O-CD 3.41Å; E455-K459 VanDerWaalsContact O-CG 3.32Å; E455-K459 WeakPolarHBondContact O-CG 3.42Å; E455-K459 PolarHBondContact O-N 3.22Å; E455-K459 IonicContact OE2-NZ 3.61Å; E455-K459 PolarHBondContact OE2-NZ 2.92Å
456	E	47.3	Very low	46.9	Very low	118 Å²	118	131 Å²	131	55%	0.551	66%	0.656	S	S	*	*	H	α-helix	trans	-64.8	-42.3	175.9	-71.6	179.2	149.9	0	0	111.8	K452 L458 K459 L460	K452-E456 PolarHBondContact O-N 3.4Å; E456-L458 VanDerWaalsContact C-N 3.3Å; E456-L458 PolarHBondContact O-N 3.32Å; E456-K459 PolarHBondContact O-N 3Å; E456-L460 PolarHBondContact O-N 2.95Å
457	L	47.3	Very low	45.9	Very low	130 Å²	130	133.3 Å²	133.3	68%	0.681	68%	0.676	S	S	*	*	H	α-helix	trans	-64.1	-32.4	174.3	-74.3	168.5	0	0	0	113	K453 R454	K453-L457 WeakPolarHBondContact O-CG 3.25Å; K453-L457 PolarHBondContact O-N 3.03Å; R454-L457 PolarHBondContact O-N 3.1Å
458	L	48.7	Very low	44.4	Very low	133 Å²	133	132.8 Å²	132.8	70%	0.696	69%	0.686	S	S	*	*	H	α-helix	trans	-72.4	-36.3	172.1	-76.1	163.5	0	0	0	112.3	R454 E455 E456 G461	R454-L458 WeakPolarHBondContact O-CG 3.47Å; R454-L458 PolarHBondContact O-N 3.26Å; R454-L458 VanDerWaalsContact O-N 3.11Å; E455-L458 PolarHBondContact O-N 3.15Å; E456-L458 VanDerWaalsContact C-N 3.3Å; E456-L458 PolarHBondContact O-N 3.32Å; L458-G461 PolarHBondContact O-N 3.19Å
459	K	47.4	Very low	43.2	Very low	142 Å²	142	132.3 Å²	132.3	62%	0.617	69%	0.694	S	S	*	*	H	α-helix	trans	-71.5	-26.2	177.6	-75.4	161.8	-178.5	154.7	0	113.4	E455 E456 G461	E455-K459 WeakPolarHBondContact O-CB 3.24Å; E455-K459 WeakPolarHBondContact O-CD 3.41Å; E455-K459 VanDerWaalsContact O-CG 3.32Å; E455-K459 WeakPolarHBondContact O-CG 3.42Å; E455-K459 PolarHBondContact O-N 3.22Å; E455-K459 IonicContact OE2-NZ 3.61Å; E455-K459 PolarHBondContact OE2-NZ 2.92Å; E456-K459 PolarHBondContact O-N 3Å; K459-G461 VanDerWaalsContact C-N 3.26Å; K459-G461 PolarHBondContact O-N 3.38Å
460	L	43.4	Very low	41.8	Very low	161 Å²	161	134.3 Å²	134.3	84%	0.843	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-7.6	171.2	-116.8	73.9	0	0	0	113.9	E456	E456-L460 PolarHBondContact O-N 2.95Å
461	G	47	Very low	40.5	Very low	63 Å²	63	132.3 Å²	132.3	65%	0.649	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-1.9	-172.8	0	0	0	0	0	116.4	L458 K459	L458-G461 PolarHBondContact O-N 3.19Å; K459-G461 VanDerWaalsContact C-N 3.26Å; K459-G461 PolarHBondContact O-N 3.38Å
462	T	33.4	Very low	38.9	Very low	118 Å²	118	129.9 Å²	129.9	72%	0.724	71%	0.711	S	S	*	*	S	Bend	trans	-135	102.2	-168.8	57	0	0	0	0	114.6
463	G	33.2	Very low	37.2	Very low	74 Å²	74	129.9 Å²	129.9	76%	0.763	72%	0.722	S	S	*	*			trans	94.3	99.4	145.6	0	0	0	0	0	118.6
464	Q	28.5	Very low	36	Very low	201 Å²	201	126.8 Å²	126.8	94%	0.939	72%	0.719	S	S	*	*			trans	-119.5	113.3	134.9	-85.2	-166.8	-35	0	0	108.8
465	E	28.6	Very low	34.8	Very low	182 Å²	182	127 Å²	127	85%	0.85	72%	0.721	S	S	*	*			trans	-101.8	172	155.3	-50.4	-175.2	162.7	0	0	107.2
466	S	27	Very low	33.3	Very low	96 Å²	96	130 Å²	130	67%	0.671	74%	0.735	S	S	*	*			cis	-149.8	-154.1	7.9	-33.9	0	0	0	0	106.2
467	P	32.3	Very low	32.3	Very low	122 Å²	122	128.6 Å²	128.6	79%	0.792	74%	0.738	S	S	*	*			cis	-128.7	-176	-23.8	39.9	-23.6	0	0	0	113.1
468	A	28.8	Very low	31.2	Very low	88 Å²	88	133.2 Å²	133.2	73%	0.727	75%	0.747	S	S	*	*			trans	-100.9	162.6	156	0	0	0	0	0	109.3
469	P	36.2	Very low	30.1	Very low	110 Å²	110	131.1 Å²	131.1	71%	0.714	74%	0.743	S	S	*	*				-158.8	-179.1	73.5	43.2	-22.2	0	0	0	118.7
470	H	25.4	Very low	29	Very low	161 Å²	161	130.6 Å²	130.6	75%	0.745	75%	0.752	S	S	*	*			trans	74.1	107.6	151.4	-71.8	-52.8	0	0	0	124.4
471	N	26.3	Very low	28.4	Very low	135 Å²	135	127 Å²	127	72%	0.722	74%	0.74	S	S	*	*				53.4	121.6	124.4	-68.1	3.3	0	0	0	123.9
472	S	23.6	Very low	27.7	Very low	118 Å²	118	133 Å²	133	83%	0.825	75%	0.752	S	S	*	*			trans	66.1	154.1	150	66.5	0	0	0	0	116.6
473	V	24.6	Very low	27.5	Very low	134 Å²	134	130.4 Å²	130.4	81%	0.812	75%	0.748	S	S	*	*			cis	-134.5	174.5	25.5	-169.5	0	0	0	0	111.3
474	S	23.8	Very low	27.4	Very low	84 Å²	84	132.7 Å²	132.7	59%	0.587	75%	0.752	S	S	*	*			trans	-84.9	-178.8	176.5	56.2	0	0	0	0	114.5
475	Y	23.8	Very low	27.7	Very low	200 Å²	200	127.7 Å²	127.7	78%	0.784	74%	0.74	S	S	*	*			trans	77	140.5	175.4	-63.5	-76.8	0	0	0	115.4
476	E	23.1	Very low	27.9	Very low	160 Å²	160	126.1 Å²	126.1	75%	0.748	73%	0.733	S	S	*	*			cis	-162.7	-170.3	-15	-149.4	177.9	-152.3	0	0	109.9
477	S	26.1	Very low	28.1	Very low	88 Å²	88	130.3 Å²	130.3	62%	0.615	73%	0.734	S	S	*	*			trans	82.5	112.6	151.3	-75.6	0	0	0	0	121
478	R	23.3	Very low	28	Very low	228 Å²	228	131.1 Å²	131.1	86%	0.86	73%	0.727	S	S	*	*				46.3	106.8	121.7	-75.2	176.9	169.5	163.6	-3.1	118.1
479	S	25.4	Very low	28.2	Very low	88 Å²	88	136.9 Å²	136.9	62%	0.615	73%	0.73	S	S	*	*				90.7	149.2	64.2	69.9	0	0	0	0	114.5
480	T	25.9	Very low	28.7	Very low	132 Å²	132	137.2 Å²	137.2	81%	0.81	73%	0.732	S	S	*	*			trans	65.2	146	165.4	45.4	0	0	0	0	117
481	S	30.2	Very low	28.9	Very low	84 Å²	84	136.2 Å²	136.2	59%	0.587	73%	0.731	S	S	*	*			cis	-173.2	174.9	-11.9	53.5	0	0	0	0	111.8
482	Q	32.3	Very low	28.9	Very low	190 Å²	190	141.3 Å²	141.3	89%	0.888	74%	0.74	S	S	*	*			trans	74.7	148	159.9	-60.5	165	21.3	0	0	117.5
483	G	28.5	Very low	29.1	Very low	63 Å²	63	141.6 Å²	141.6	65%	0.649	74%	0.738	S	S	*	*			cis	163.6	173.1	-12.5	0	0	0	0	0	116.4
484	S	32.5	Very low	30.2	Very low	122 Å²	122	140.2 Å²	140.2	85%	0.853	73%	0.731	S	S	*	*			trans	73.4	151.9	169	82.4	0	0	0	0	117.8
485	S	33.2	Very low	30.2	Very low	97 Å²	97	141.6 Å²	141.6	68%	0.678	74%	0.741	S	S	*	*			cis	-170.2	171.5	-26	62	0	0	0	0	108.7
486	Q	34.1	Very low	31.3	Very low	149 Å²	149	137.7 Å²	137.7	70%	0.696	74%	0.74	S	S	*	*			cis	-108.9	-107.1	-1.6	-61.6	170.7	12.5	0	0	108.7
487	R	31.1	Very low	31.5	Very low	184 Å²	184	136.1 Å²	136.1	69%	0.694	74%	0.741	S	S	*	*			cis	-154	158.7	-43.4	-125.8	179.7	-151.7	-106.9	-6.5	105.1
488	E	30.6	Very low	32	Very low	139 Å²	139	139.6 Å²	139.6	65%	0.65	75%	0.75	S	S	*	*			cis	-147.5	-165.4	-7	-162.5	121.2	-115.2	0	0	108.5
489	R	32.3	Very low	33.2	Very low	208 Å²	208	134.3 Å²	134.3	79%	0.785	75%	0.745	S	S	*	*			trans	-161	160.8	-177.2	-107.6	178.9	-168.3	-166	4.1	113.8
490	P	46.1	Very low	33.5	Very low	117 Å²	117	135.5 Å²	135.5	76%	0.76	75%	0.752	S	S	*	*				-131	147.9	93.7	10.7	12.1	0	0	0	113
491	L	29.1	Very low	34.9	Very low	141 Å²	141	135.4 Å²	135.4	74%	0.738	75%	0.754	S	S	*	*				67.1	130.6	64.6	-61.2	166.7	0	0	0	112.6
492	R	27.6	Very low	35	Very low	241 Å²	241	138.7 Å²	138.7	91%	0.909	77%	0.765	S	S	*	*			cis	-155.9	-178.2	40.7	-135.5	178.3	-171.8	-167.9	2.7	113.5
493	T	26.6	Very low	36.4	Very low	125 Å²	125	135.1 Å²	135.1	77%	0.767	76%	0.758	S	S	*	*			trans	-125.2	-164.8	177.4	61	0	0	0	0	110.6
494	P	48	Very low	36.4	Very low	105 Å²	105	139.7 Å²	139.7	68%	0.682	77%	0.767	S	S	*	*			cis	-141.2	174.4	-13.5	41.9	-23.6	0	0	0	118.2
495	S	23.7	Very low	36.4	Very low	112 Å²	112	141.5 Å²	141.5	78%	0.783	77%	0.765	S	S	*	*			trans	64.6	175.4	147.7	-65.2	0	0	0	0	122.1
496	P	48.3	Very low	36.2	Very low	119 Å²	119	141.6 Å²	141.6	77%	0.773	77%	0.766	S	S	*	*			cis	-137.8	166.2	-40	35.5	-15.3	0	0	0	119.2
497	T	27	Very low	35.9	Very low	126 Å²	126	143.6 Å²	143.6	77%	0.773	78%	0.775	S	S	*	*			trans	5.1	154.9	156.8	-4.5	0	0	0	0	130.7
498	M	35.5	Very low	35.8	Very low	161 Å²	161	142.2 Å²	142.2	79%	0.793	78%	0.78	S	S	*	*			trans	81	166.4	148.7	-66.4	-45.2	-99	0	0	122.5
499	P	48.5	Very low	36.5	Very low	117 Å²	117	141.1 Å²	141.1	76%	0.76	79%	0.785	S	S	*	*			cis	-136.3	-165.3	-11.9	30.5	-5.5	0	0	0	117.4
500	C	32.3	Very low	36.4	Very low	113 Å²	113	138.9 Å²	138.9	76%	0.764	78%	0.781	S	S	*	*			trans	-95.7	-171.6	178.5	-44.2	0	0	0	0	114.9
501	P	55.5	Low	35.7	Very low	130 Å²	130	137.9 Å²	137.9	84%	0.844	77%	0.769	S	S	*	*				-160.3	-170.6	79.3	43.9	-20.6	0	0	0	120.5
502	N	33.1	Very low	35.9	Very low	153 Å²	153	139.3 Å²	139.3	82%	0.818	77%	0.765	S	S	*	*			trans	-82.6	-164.3	-174.4	-80	-6.9	0	0	0	115.9
503	P	60.5	Low	36.2	Very low	116 Å²	116	134.3 Å²	134.3	75%	0.753	75%	0.752	S	S	*	*			cis	-141.6	-153	11.3	44.4	-20.3	0	0	0	115.7
504	L	29.7	Very low	36.4	Very low	159 Å²	159	135.4 Å²	135.4	83%	0.832	75%	0.753	S	S	*	*			cis	-164.3	-166.7	-1.8	-135.4	172.7	0	0	0	111
505	I	30.7	Very low	35.8	Very low	160 Å²	160	138.2 Å²	138.2	82%	0.821	76%	0.759	S	S	*	*			trans	91.2	152.3	165	-54.6	-172	0	0	0	118.8
506	S	29.1	Very low	36.1	Very low	98 Å²	98	138.9 Å²	138.9	69%	0.685	75%	0.754	S	S	*	*			trans	-152.5	161.3	-153.7	55.5	0	0	0	0	114.4
507	E	28.7	Very low	35.2	Very low	192 Å²	192	139.9 Å²	139.9	90%	0.897	75%	0.752	S	S	*	*			trans	-172.7	163.2	136.6	-110.7	170.5	-146.4	0	0	114.4
508	I	27.9	Very low	35.3	Very low	154 Å²	154	138.6 Å²	138.6	79%	0.79	75%	0.749	S	S	*	*			trans	-147	120.3	-169.5	-64.2	174.4	0	0	0	111.9
509	P	45.8	Very low	34.9	Very low	117 Å²	117	136.8 Å²	136.8	76%	0.76	75%	0.747	S	S	*	*				-138.9	171.8	120.8	42.2	-31.4	0	0	0	112.1
510	K	30.7	Very low	33.9	Very low	160 Å²	160	135.6 Å²	135.6	70%	0.696	74%	0.741	S	S	*	*			cis	76.3	149.9	22.7	-69.8	-161.4	134.7	-105.3	0	115.3
511	D	30.6	Very low	33.7	Very low	96 Å²	96	137.6 Å²	137.6	51%	0.513	74%	0.739	S	S	.	*			cis	-135.4	-172.4	-9.2	-119.6	4.8	0	0	0	107.6
512	R	33.5	Very low	32.4	Very low	171 Å²	171	139 Å²	139	65%	0.645	73%	0.732	S	S	*	*			cis	-169.8	177.5	12.5	-119.4	158.4	-155.3	-73.9	-30.5	107.9
513	E	35	Very low	32	Very low	137 Å²	137	137.1 Å²	137.1	64%	0.64	73%	0.727	S	S	*	*			cis	-119.5	-106	-9.2	-167.2	81.2	-111.8	0	0	109.9
514	D	30.3	Very low	30.2	Very low	147 Å²	147	137.1 Å²	137.1	79%	0.786	73%	0.728	S	S	*	*			cis	-157.1	178.5	-9.1	-149.2	-32.6	0	0	0	109.5
515	M	34.8	Very low	30	Very low	164 Å²	164	135.1 Å²	135.1	81%	0.808	73%	0.728	S	S	*	*			trans	-109.1	164	-170.1	-78.9	-64.8	179.3	0	0	115.5
516	D	30.4	Very low	29.8	Very low	126 Å²	126	132.7 Å²	132.7	67%	0.674	73%	0.731	S	S	*	*			cis	-155.4	158.6	33.7	-157.9	-1.9	0	0	0	115.6
517	N	29.6	Very low	29.7	Very low	140 Å²	140	136.5 Å²	136.5	75%	0.749	74%	0.735	S	S	*	*			trans	22.7	139.8	160.7	-90.2	-66.3	0	0	0	121.8
518	S	28.2	Very low	29.8	Very low	100 Å²	100	134.5 Å²	134.5	70%	0.699	73%	0.726	S	S	*	*			cis	-173.1	-178.3	4.3	79.2	0	0	0	0	108.9
519	T	28.3	Very low	29.8	Very low	122 Å²	122	137.3 Å²	137.3	75%	0.748	73%	0.733	S	S	*	*			cis	-159.5	-175.2	-5.1	-165.6	0	0	0	0	109.9
520	S	27.7	Very low	29	Very low	92 Å²	92	142.5 Å²	142.5	64%	0.643	74%	0.737	S	S	*	*			trans	34.7	110.6	167.2	-66.6	0	0	0	0	120
521	Q	28.6	Very low	28.7	Very low	155 Å²	155	141.3 Å²	141.3	72%	0.724	74%	0.738	S	S	*	*				62.6	135.5	76.7	-65.2	-168.2	32.8	0	0	114.7
522	K	27.4	Very low	28.6	Very low	159 Å²	159	144.6 Å²	144.6	69%	0.691	75%	0.75	S	S	*	*			cis	-163.5	139.7	10.7	-127.2	170.1	-176.5	148.8	0	113.8
523	T	24	Very low	28.3	Very low	115 Å²	115	148.4 Å²	148.4	71%	0.706	77%	0.765	S	S	*	*			trans	39.3	134.2	138.6	56.2	0	0	0	0	125.2
524	C	22.9	Very low	28.9	Very low	115 Å²	115	148.1 Å²	148.1	78%	0.777	77%	0.768	S	S	*	*			trans	91.5	113	133	-73.5	0	0	0	0	124
525	S	24.9	Very low	28.9	Very low	118 Å²	118	149.1 Å²	149.1	83%	0.825	77%	0.77	S	S	*	*				40.5	127.2	129.8	65.9	0	0	0	0	123
526	A	27.1	Very low	28.9	Very low	109 Å²	109	150.3 Å²	150.3	90%	0.901	77%	0.771	S	S	*	*			trans	-149.9	164.2	152.5	0	0	0	0	0	111.3
527	K	28.2	Very low	29	Very low	177 Å²	177	149 Å²	149	77%	0.77	78%	0.777	S	S	*	*			trans	-140.4	139.7	178.6	-139.4	-169	-179.5	-133.4	0	110.3
528	E	29.1	Very low	29.1	Very low	151 Å²	151	149.2 Å²	149.2	71%	0.706	78%	0.779	S	S	*	*			trans	52.8	117.6	158.8	-69.2	164.8	-133	0	0	120.7
529	K	28.1	Very low	29.2	Very low	212 Å²	212	152.1 Å²	152.1	92%	0.922	78%	0.781	S	S	*	*				-161.5	179.5	110.1	-108.5	168.9	-174.7	178.1	0	113.3
530	R	28.8	Very low	29.1	Very low	227 Å²	227	154 Å²	154	86%	0.857	79%	0.787	S	S	*	*			trans	-94	-171.9	-162.8	-66.7	179.4	168.4	-178.7	-4.8	113.6
531	N	26.5	Very low	29.3	Very low	135 Å²	135	156.7 Å²	156.7	72%	0.722	80%	0.799	S	S	*	*			trans	84	141.7	168	-71.1	53.4	0	0	0	113.7
532	E	26.8	Very low	29.4	Very low	164 Å²	164	156.9 Å²	156.9	77%	0.766	81%	0.805	S	S	*	*			cis	-165.6	149.5	-6	171.6	163	-172.7	0	0	107.9
533	W	28.8	Very low	29.8	Very low	252 Å²	252	154 Å²	154	96%	0.955	81%	0.805	S	S	*	*			trans	-95.3	111.2	-176.2	-84.6	50.8	0	0	0	110.4
534	D	47.1	Very low	30.2	Very low	131 Å²	131	155.7 Å²	155.7	70%	0.701	81%	0.809	S	S	*	*			trans	-70.1	150.4	179	-164.2	-18	0	0	0	111.7	F536	D534-F536 PolarHBondContact OD1-N 2.8Å
535	M	30.7	Very low	30.9	Very low	168 Å²	168	159.7 Å²	159.7	83%	0.828	81%	0.814	S	S	*	*	S	Bend	trans	-109.9	3.8	177.6	-69.2	-160.3	-65.9	0	0	114
536	F	33.9	Very low	31.2	Very low	189 Å²	189	161.6 Å²	161.6	83%	0.829	82%	0.815	S	S	*	*			trans	-128.2	56.8	-178.6	-72.7	-78.2	0	0	0	114.3	D534	D534-F536 PolarHBondContact OD1-N 2.8Å
537	A	32.8	Very low	31.5	Very low	98 Å²	98	160.1 Å²	160.1	81%	0.81	80%	0.798	S	S	*	*			trans	-115.7	106.6	164.8	0	0	0	0	0	110.1
538	D	31.1	Very low	32	Very low	144 Å²	144	157.7 Å²	157.7	77%	0.77	80%	0.8	S	S	*	*			trans	-85.2	153.1	-173.4	-114.3	-46.4	0	0	0	114
539	Q	30.5	Very low	32.2	Very low	161 Å²	161	157.7 Å²	157.7	75%	0.752	81%	0.805	S	S	*	*			trans	54.5	100.4	159	-63.3	177.4	5.9	0	0	119.3
540	D	27	Very low	32.6	Very low	163 Å²	163	153 Å²	153	87%	0.872	79%	0.794	S	S	*	*				-168.1	108.9	111	-102	-18.9	0	0	0	109.7
541	V	30.4	Very low	33.2	Very low	148 Å²	148	149.9 Å²	149.9	90%	0.897	79%	0.793	S	S	*	*			trans	-135.4	88	-179.1	-78.6	0	0	0	0	112.9
542	D	32.1	Very low	33.6	Very low	159 Å²	159	148.4 Å²	148.4	85%	0.85	79%	0.788	S	S	*	*			trans	-145.8	155.4	154	-150.3	-15.4	0	0	0	110.5
543	S	35.8	Very low	34.1	Very low	98 Å²	98	148.8 Å²	148.8	69%	0.685	79%	0.79	S	S	*	*			trans	65.2	95.8	-177.9	67.6	0	0	0	0	119.4
544	N	31.3	Very low	34.3	Very low	150 Å²	150	142.4 Å²	142.4	80%	0.802	78%	0.775	S	S	*	*			trans	146.9	97.8	145.2	-76.4	-17.2	0	0	0	107.4
545	F	37.9	Very low	33.9	Very low	200 Å²	200	144.8 Å²	144.8	88%	0.877	78%	0.779	S	S	*	*				42.9	74.3	55.3	-152.8	-82	0	0	0	112.8
546	D	31.3	Very low	34.6	Very low	158 Å²	158	145.4 Å²	145.4	85%	0.845	78%	0.779	S	S	*	*			trans	-117.5	146.9	164	-139.8	-27.9	0	0	0	110.5
547	S	33.3	Very low	34.9	Very low	77 Å²	77	144 Å²	144	54%	0.538	78%	0.776	S	S	.	*			trans	-109.6	125.9	-164	-173.7	0	0	0	0	111.1	N549	S547-N549 PolarHBondContact O-N 2.97Å
548	P	38.6	Very low	35.3	Very low	126 Å²	126	148.3 Å²	148.3	82%	0.818	78%	0.779	S	S	*	*			trans	-77.2	67.8	-174.5	32.7	-36.7	0	0	0	111.9
549	N	34.4	Very low	35.9	Very low	151 Å²	151	147.7 Å²	147.7	81%	0.807	77%	0.771	S	S	*	*			trans	-102.1	45.2	178.7	-144.1	11.2	0	0	0	111.2	S547	S547-N549 PolarHBondContact O-N 2.97Å
550	T	35.5	Very low	36.5	Very low	114 Å²	114	145.1 Å²	145.1	70%	0.699	76%	0.763	S	S	*	*			trans	-126.8	101.2	-176.9	-6.5	0	0	0	0	109.8	V552	T550-V552 PolarHBondContact O-N 3.04Å; T550-V552 VanDerWaalsContact O-N 3.16Å
551	I	40.3	Very low	37.8	Very low	162 Å²	162	141.8 Å²	141.8	83%	0.831	75%	0.75	S	S	*	*			trans	-74.3	105.2	176.8	-61.2	174	0	0	0	108.8	Q553	I551-Q553 HydrophobicContact CG2-CG 4.41Å
552	V	35.8	Very low	38.6	Very low	103 Å²	103	138.9 Å²	138.9	62%	0.624	74%	0.741	S	S	*	*			trans	-106	109.6	171.8	-176.4	0	0	0	0	109	T550 N554	T550-V552 PolarHBondContact O-N 3.04Å; T550-V552 VanDerWaalsContact O-N 3.16Å; V552-N554 VanDerWaalsContact C-N 3.29Å; V552-N554 WeakPolarHBondContact CG1-OD1 3.39Å; V552-N554 PolarHBondContact O-N 3.4Å
553	Q	37.8	Very low	39.4	Very low	172 Å²	172	138 Å²	138	80%	0.804	74%	0.736	S	S	*	*			trans	-79.5	71.1	177.1	-70.7	-170.5	-9.6	0	0	111.8	I551 K555	I551-Q553 HydrophobicContact CG2-CG 4.41Å; Q553-K555 PolarHBondContact O-N 2.93Å; Q553-K555 VanDerWaalsContact O-N 3.17Å
554	N	31.7	Very low	40.1	Very low	118 Å²	118	135.1 Å²	135.1	63%	0.631	71%	0.714	S	S	*	*			trans	-76.5	99.8	169.6	-79.9	-5.6	0	0	0	110.3	V552	V552-N554 VanDerWaalsContact C-N 3.29Å; V552-N554 WeakPolarHBondContact CG1-OD1 3.39Å; V552-N554 PolarHBondContact O-N 3.4Å
555	K	40.1	Very low	41.3	Very low	181 Å²	181	134.8 Å²	134.8	79%	0.787	71%	0.712	S	S	*	*			trans	-73.2	135.5	164.7	-72.2	-175.3	176	-178.4	0	109.8	Q553	Q553-K555 PolarHBondContact O-N 2.93Å; Q553-K555 VanDerWaalsContact O-N 3.17Å
556	H	44	Very low	42.8	Very low	181 Å²	181	130.3 Å²	130.3	84%	0.838	70%	0.698	S	S	*	*			trans	51.8	79.3	172.8	-59.5	-72.4	0	0	0	115.7
557	Q	40.3	Very low	45.1	Very low	160 Å²	160	125 Å²	125	75%	0.748	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-91.1	132.8	137.8	-72.1	-178	-24.4	0	0	107.6	E559	Q557-E559 PolarHBondContact O-N 3.13Å
558	H	42.1	Very low	47.5	Very low	189 Å²	189	122.9 Å²	122.9	88%	0.875	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-71.3	117.2	162.9	-104.8	-94.8	0	0	0	107.1
559	E	44.6	Very low	49.7	Very low	130 Å²	130	119 Å²	119	61%	0.607	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-65.5	135.7	170.4	-63.7	-163.2	142.5	0	0	109.1	Q557 P561 T564	Q557-E559 PolarHBondContact O-N 3.13Å; E559-P561 WeakPolarHBondContact O-CD 3.36Å; E559-T564 HydrophobicContact CB-CG2 4.48Å
560	N	41.8	Very low	52.1	Low	108 Å²	108	117.2 Å²	117.2	58%	0.578	63%	0.627	S	S	*	*			trans	-83.3	113.8	-171.7	-150.4	1.9	0	0	0	108.7	A562 L563	N560-A562 PolarHBondContact O-N 2.97Å; N560-A562 VanDerWaalsContact O-N 3.14Å; N560-L563 HydrophobicContact CB-CD1 4.3Å; N560-L563 PolarHBondContact O-N 2.86Å
561	P	53.8	Low	54.3	Low	92 Å²	92	117.7 Å²	117.7	60%	0.597	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-60.4	-31.5	-168.2	-26.7	36.2	0	0	0	114.1	E559 L563 T564	E559-P561 WeakPolarHBondContact O-CD 3.36Å; P561-L563 PolarHBondContact O-N 3.16Å; P561-T564 PolarHBondContact O-N 2.95Å; P561-T564 PolarHBondContact O-OG1 2.96Å
562	A	47.6	Very low	56.6	Low	88 Å²	88	110.5 Å²	110.5	73%	0.727	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-66.7	-0.3	174.7	0	0	0	0	0	114.7	N560	N560-A562 PolarHBondContact O-N 2.97Å; N560-A562 VanDerWaalsContact O-N 3.14Å
563	L	49.8	Very low	59.1	Low	139 Å²	139	106.7 Å²	106.7	73%	0.728	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-118.2	4.7	173.9	-62.7	176.2	0	0	0	112.9	N560 P561	N560-L563 HydrophobicContact CB-CD1 4.3Å; N560-L563 PolarHBondContact O-N 2.86Å; P561-L563 PolarHBondContact O-N 3.16Å
564	T	50.7	Low	61.6	Low	38 Å²	38	98.7 Å²	98.7	23%	0.233	52%	0.524	C	S	.	.	S	Bend	trans	-100.3	8.5	-178.3	56.2	0	0	0	0	114.6	E559 P561 W567	E559-T564 HydrophobicContact CB-CG2 4.48Å; P561-T564 PolarHBondContact O-N 2.95Å; P561-T564 PolarHBondContact O-OG1 2.96Å; T564-W567 HydrophobicContact CG2-CZ2 4.12Å; T564-W567 PolarHBondContact O-NE1 3.46Å
565	D	56	Low	64.4	Low	143 Å²	143	98.6 Å²	98.6	77%	0.765	52%	0.515	S	S	*	.	S	Bend	trans	-101.2	4.7	-171.7	-67	-6.2	0	0	0	114.4
566	N	69.6	Low	66.8	Low	106 Å²	106	90.4 Å²	90.4	57%	0.567	48%	0.48	S	S	*	.			trans	-137.2	56.2	179.2	-158.1	12.7	0	0	0	112.4	D568 R575	N566-D568 PolarHBondContact OD1-O 2.96Å; N566-R575 PolarHBondContact ND2-NH1 2.94Å; N566-R575 PolarHBondContact O-NH1 3.04Å
567	W	78.6	Confident	69	Low	47 Å²	47	88.6 Å²	88.6	18%	0.178	47%	0.466	C	S	.	.			trans	-67.8	-24	170.5	-61.2	98.2	0	0	0	113	T564 Y574 R575 K659	T564-W567 HydrophobicContact CG2-CZ2 4.12Å; T564-W567 PolarHBondContact O-NE1 3.46Å; W567-Y574 HydrophobicContact CB-CD2 4.22Å; W567-Y574 HydrophobicContact CB-CE2 3.68Å; W567-Y574 HydrophobicContact CE3-CE2 4.49Å; W567-Y574 HydrophobicContact CG-CE2 4.28Å; W567-R575 WeakPolarHBondContact O-CB 3.41Å; W567-R575 WeakPolarHBondContact O-CD 3.26Å; W567-R575 WeakPolarHBondContact O-CG 3.38Å; W567-R575 PolarHBondContact O-N 3.06Å; W567-K659 HydrophobicContact CB-CD 4.32Å; W567-K659 HydrophobicContact CD2-CD 3.87Å; W567-K659 VanDerWaalsContact CE2-NZ 3.29Å; W567-K659 HydrophobicContact CE3-CD 4.42Å; W567-K659 HydrophobicContact CG-CD 3.77Å; W567-K659 VanDerWaalsContact CH2-NZ 3.31Å; W567-K659 VanDerWaalsContact CZ2-NZ 3.35Å
568	D	85.3	Confident	71.5	Confident	32 Å²	32	86.4 Å²	86.4	17%	0.171	46%	0.458	C	S	.	.	B	Isolated β-bridge	trans	-86.7	165.8	178.9	-59.5	25.8	0	0	0	108.7	N566 Y573 R575 N620 H661	N566-D568 PolarHBondContact OD1-O 2.96Å; D568-Y573 CarbonylContact C-O 3.58Å; D568-Y573 VanDerWaalsContact CA-O 3.27Å; D568-Y573 WeakPolarHBondContact CA-O 3.32Å; D568-R575 WeakPolarHBondContact O-CD 3.17Å; D568-R575 PolarHBondContact O-NE 3.25Å; D568-R575 VanDerWaalsContact O-NE 3.16Å; D568-R575 PolarHBondContact O-NH1 2.82Å; D568-N620 VanDerWaalsContact OD2-CB 3.29Å; D568-N620 WeakPolarHBondContact OD2-CB 3.35Å; D568-N620 PolarHBondContact OD2-ND2 3.48Å; D568-H661 IonicContact OD1-NE2 3.23Å; D568-H661 PolarHBondContact OD1-NE2 2.93Å; D568-H661 IonicContact OD2-CE1 2.8Å; D568-H661 IonicContact OD2-NE2 3.78Å
569	D	85	Confident	73.8	Confident	46 Å²	46	79.6 Å²	79.6	25%	0.246	44%	0.438	C	S	.	.			trans	-102.8	178.5	164	72.4	14.5	0	0	0	112.4	E571 G572 Y573	D569-E571 PolarHBondContact O-N 3.48Å; D569-E571 WeakPolarHBondContact OD1-CA 3.37Å; D569-E571 PolarHBondContact OD1-N 2.88Å; D569-G572 PolarHBondContact O-N 3.27Å; D569-G572 PolarHBondContact OD1-N 3.03Å; D569-G572 VanDerWaalsContact OD1-N 3.16Å; D569-Y573 PolarHBondContact N-O 2.86Å; D569-Y573 PolarHBondContact OD1-N 3.08Å; D569-Y573 VanDerWaalsContact OD2-CD2 3.32Å; D569-Y573 WeakPolarHBondContact OD2-CD2 3.47Å
570	A	83.3	Confident	76.1	Confident	113 Å²	113	74.7 Å²	74.7	93%	0.934	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-3.8	-177.9	0	0	0	0	0	114.2
571	E	83.4	Confident	78.5	Confident	123 Å²	123	72 Å²	72	58%	0.575	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.4	14	170.3	-45.7	-173.4	178.6	0	0	113	D569 Y573 R619	D569-E571 PolarHBondContact O-N 3.48Å; D569-E571 WeakPolarHBondContact OD1-CA 3.37Å; D569-E571 PolarHBondContact OD1-N 2.88Å; E571-Y573 HydrophobicContact CB-CD2 4.19Å; E571-Y573 HydrophobicContact CB-CE2 4.38Å; E571-Y573 WeakPolarHBondContact OE2-CE2 3.1Å; E571-R619 PolarHBondContact O-NH1 3.43Å; E571-R619 IonicContact OE2-CZ 3.82Å; E571-R619 IonicContact OE2-NH1 3.35Å; E571-R619 PolarHBondContact OE2-NH1 2.94Å; E571-R619 IonicContact OE2-NH2 2.75Å; E571-R619 PolarHBondContact OE2-NH2 2.85Å
572	G	86.6	Confident	80.4	Confident	11 Å²	11	67.6 Å²	67.6	11%	0.113	38%	0.375	C	S	.	.	S	Bend	trans	73.5	22.4	177.9	0	0	0	0	0	115.1	D569 R619 N620 H661	D569-G572 PolarHBondContact O-N 3.27Å; D569-G572 PolarHBondContact OD1-N 3.03Å; D569-G572 VanDerWaalsContact OD1-N 3.16Å; G572-R619 CarbonylContact O-C 3.59Å; G572-R619 WeakPolarHBondContact O-CA 3.47Å; G572-R619 VanDerWaalsContact O-CB 3.32Å; G572-R619 WeakPolarHBondContact O-CB 3.39Å; G572-N620 PolarHBondContact O-N 2.78Å; G572-H661 PolarHBondContact O-CE1 3.4Å
573	Y	88.9	Confident	82.6	Confident	24 Å²	24	65.9 Å²	65.9	9%	0.094	35%	0.353	C	S	.	.			trans	-82.6	140.6	168.8	-68.3	-91.2	0	0	0	111.8	D568 D569 E571 R575 Q594 G595 N599 R619	D568-Y573 CarbonylContact C-O 3.58Å; D568-Y573 VanDerWaalsContact CA-O 3.27Å; D568-Y573 WeakPolarHBondContact CA-O 3.32Å; D569-Y573 PolarHBondContact N-O 2.86Å; D569-Y573 PolarHBondContact OD1-N 3.08Å; D569-Y573 VanDerWaalsContact OD2-CD2 3.32Å; D569-Y573 WeakPolarHBondContact OD2-CD2 3.47Å; E571-Y573 HydrophobicContact CB-CD2 4.19Å; E571-Y573 HydrophobicContact CB-CE2 4.38Å; E571-Y573 WeakPolarHBondContact OE2-CE2 3.1Å; Y573-R575 PolarHBondContact O-N 3.16Å; Y573-Q594 HydrophobicContact CE1-CG 3.9Å; Y573-G595 WeakPolarHBondContact CE1-O 3.39Å; Y573-G595 PolarHBondContact OH-O 3.12Å; Y573-N599 WeakPolarHBondContact CD1-OD1 3.22Å; Y573-R619 HydrophobicContact CD1-CG 4.07Å; Y573-R619 HydrophobicContact CE1-CG 4.49Å; Y573-R619 HydrophobicContact CG-CG 4.3Å; Y573-R619 PolarHBondContact OH-NH2 3.12Å; Y573-R619 VanDerWaalsContact OH-NH2 3.12Å
574	Y	91.1	Very high	84.6	Confident	3 Å²	3	66.7 Å²	66.7	1%	0.012	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-70.3	125.4	169.6	-167.6	-116.1	0	0	0	112.6	W567 V576 E580 L582 N599 I617 H658 K659 H661	W567-Y574 HydrophobicContact CB-CD2 4.22Å; W567-Y574 HydrophobicContact CB-CE2 3.68Å; W567-Y574 HydrophobicContact CE3-CE2 4.49Å; W567-Y574 HydrophobicContact CG-CE2 4.28Å; Y574-V576 HydrophobicContact CD1-CB 4.32Å; Y574-V576 HydrophobicContact CD1-CG2 3.56Å; Y574-V576 HydrophobicContact CE1-CB 4.42Å; Y574-V576 HydrophobicContact CE1-CG2 4.09Å; Y574-V576 PolarHBondContact O-N 3.09Å; Y574-V576 VanDerWaalsContact O-N 3.08Å; Y574-E580 VanDerWaalsContact OH-CD 3.27Å; Y574-E580 PolarHBondContact OH-OE1 3Å; Y574-E580 PolarHBondContact OH-OE2 3Å; Y574-L582 HydrophobicContact CE1-CD2 4.33Å; Y574-N599 PolarHBondContact O-ND2 3.09Å; Y574-N599 VanDerWaalsContact O-ND2 3.08Å; Y574-I617 HydrophobicContact CD1-CD1 4.11Å; Y574-I617 HydrophobicContact CD1-CG2 4.46Å; Y574-I617 HydrophobicContact CG-CG2 4.35Å; Y574-H658 AromaticContact CE1-CD2 4Å; Y574-H658 AromaticContact CZ-CD2 3.75Å; Y574-H658 AromaticContact CZ-NE2 3.78Å; Y574-H658 PolarHBondContact OH-NE2 3.11Å; Y574-K659 HydrophobicContact CE2-CB 4.19Å; Y574-K659 HydrophobicContact CE2-CD 3.53Å; Y574-K659 HydrophobicContact CE2-CG 4.48Å; Y574-K659 WeakPolarHBondContact OH-CD 3.47Å; Y574-K659 PolarHBondContact OH-NZ 3.09Å; Y574-H661 VanDerWaalsContact CB-NE2 3.34Å; Y574-H661 WeakPolarHBondContact CB-NE2 3.22Å; Y574-H661 AromaticContact CD2-CD2 3.39Å; Y574-H661 WeakPolarHBondContact CD2-CD2 3.44Å; Y574-H661 AromaticContact CD2-NE2 3.43Å; Y574-H661 WeakPolarHBondContact CD2-NE2 3.32Å; Y574-H661 AromaticContact CG-CD2 3.71Å; Y574-H661 AromaticContact CG-NE2 3.79Å; Y574-H661 PolarHBondContact N-CE1 2.78Å
575	R	89.8	Confident	86.6	Confident	117 Å²	117	67.4 Å²	67.4	44%	0.442	36%	0.357	S	S	.	.			trans	-82.8	73.5	176.9	-61.1	167.3	164.4	157.9	-1.7	111.8	N566 W567 D568 Y573 R577	N566-R575 PolarHBondContact ND2-NH1 2.94Å; N566-R575 PolarHBondContact O-NH1 3.04Å; W567-R575 WeakPolarHBondContact O-CB 3.41Å; W567-R575 WeakPolarHBondContact O-CD 3.26Å; W567-R575 WeakPolarHBondContact O-CG 3.38Å; W567-R575 PolarHBondContact O-N 3.06Å; D568-R575 WeakPolarHBondContact O-CD 3.17Å; D568-R575 PolarHBondContact O-NE 3.25Å; D568-R575 VanDerWaalsContact O-NE 3.16Å; D568-R575 PolarHBondContact O-NH1 2.82Å; Y573-R575 PolarHBondContact O-N 3.16Å; R575-R577 PolarHBondContact O-N 2.91Å
576	V	90.4	Very high	88.5	Confident	8 Å²	8	60.7 Å²	60.7	5%	0.048	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-56.7	134.4	-179.7	-171.4	0	0	0	0	111.9	Y574 V588 Y591 V601 I617	Y574-V576 HydrophobicContact CD1-CB 4.32Å; Y574-V576 HydrophobicContact CD1-CG2 3.56Å; Y574-V576 HydrophobicContact CE1-CB 4.42Å; Y574-V576 HydrophobicContact CE1-CG2 4.09Å; Y574-V576 PolarHBondContact O-N 3.09Å; Y574-V576 VanDerWaalsContact O-N 3.08Å; V576-V588 HydrophobicContact CG1-CB 4.24Å; V576-V588 HydrophobicContact CG1-CG1 3.76Å; V576-V588 HydrophobicContact CG1-CG2 3.87Å; V576-Y591 HydrophobicContact CB-CE1 4.44Å; V576-Y591 PolarHBondContact O-OH 3.46Å; V576-V601 HydrophobicContact CB-CG1 4.35Å; V576-V601 HydrophobicContact CG1-CG1 4.2Å; V576-V601 HydrophobicContact CG2-CG1 4.01Å; V576-I617 HydrophobicContact CG2-CD1 3.6Å
577	R	90.8	Very high	89.7	Confident	143 Å²	143	57.6 Å²	57.6	54%	0.54	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-100.3	136.5	170.3	-58.2	-175.5	-175.3	-176.3	2.7	110.9	R575 G579 E580	R575-R577 PolarHBondContact O-N 2.91Å; R577-G579 PolarHBondContact O-N 3.32Å; R577-E580 HydrophobicContact CB-CB 4.25Å; R577-E580 PolarHBondContact N-OE2 3.25Å; R577-E580 WeakPolarHBondContact O-CB 3.18Å; R577-E580 PolarHBondContact O-N 3.22Å
578	I	92.3	Very high	90.5	Very high	115 Å²	115	55.4 Å²	55.4	59%	0.59	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	130.6	172	-59.6	178.4	0	0	0	107.6	Y591	I578-Y591 HydrophobicContact CD1-CD2 4.45Å; I578-Y591 HydrophobicContact CG1-CE2 4.31Å
579	G	90.8	Very high	90.8	Very high	45 Å²	45	56.5 Å²	56.5	46%	0.464	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	89	-6.2	-168.6	0	0	0	0	0	114.9	R577 L587 V588	R577-G579 PolarHBondContact O-N 3.32Å; G579-L587 WeakPolarHBondContact O-CD1 3.33Å; G579-V588 PolarHBondContact N-O 3.39Å
580	E	92.8	Very high	91.2	Very high	27 Å²	27	55 Å²	55	13%	0.126	30%	0.296	C	S	.	.			trans	-64.6	145.8	170.9	-171.3	175.7	179.4	0	0	111	Y574 R577 L582 V588 H658 K659	Y574-E580 VanDerWaalsContact OH-CD 3.27Å; Y574-E580 PolarHBondContact OH-OE1 3Å; Y574-E580 PolarHBondContact OH-OE2 3Å; R577-E580 HydrophobicContact CB-CB 4.25Å; R577-E580 PolarHBondContact N-OE2 3.25Å; R577-E580 WeakPolarHBondContact O-CB 3.18Å; R577-E580 PolarHBondContact O-N 3.22Å; E580-L582 HydrophobicContact CG-CD2 4.03Å; E580-V588 PolarHBondContact O-N 3.12Å; E580-H658 IonicContact OE1-CE1 3.93Å; E580-H658 IonicContact OE1-NE2 2.98Å; E580-H658 PolarHBondContact OE1-NE2 3.23Å; E580-K659 IonicContact OE1-NZ 3.67Å; E580-K659 PolarHBondContact OE1-NZ 3.02Å
581	V	93.1	Very high	91.4	Very high	52 Å²	52	54.9 Å²	54.9	32%	0.315	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	106.1	173.2	-176.4	0	0	0	0	109.3	N584 R585 Y586 L587	V581-N584 VanDerWaalsContact CG1-C 3.49Å; V581-R585 VanDerWaalsContact CG1-N 3.28Å; V581-Y586 WeakPolarHBondContact CA-O 3.47Å; V581-L587 HydrophobicContact CG2-CD1 3.9Å
582	L	93.2	Very high	91.4	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	145.1	175.1	-48.6	176.7	0	0	0	109.8	Y574 E580 N584 R585 Y586 V588 I615 I617 F656 H658	Y574-L582 HydrophobicContact CE1-CD2 4.33Å; E580-L582 HydrophobicContact CG-CD2 4.03Å; L582-N584 PolarHBondContact O-N 2.9Å; L582-R585 PolarHBondContact O-N 2.8Å; L582-Y586 PolarHBondContact N-O 2.97Å; L582-Y586 PolarHBondContact O-N 3.49Å; L582-V588 HydrophobicContact CD1-CG2 3.86Å; L582-V588 HydrophobicContact CG-CG2 3.92Å; L582-I615 HydrophobicContact CD1-CD1 4.2Å; L582-I615 HydrophobicContact CD1-CG2 4.37Å; L582-I617 HydrophobicContact CD1-CD1 3.96Å; L582-F656 HydrophobicContact CB-CE2 3.93Å; L582-F656 HydrophobicContact CB-CZ 3.76Å; L582-F656 HydrophobicContact CD1-CZ 4.41Å; L582-H658 WeakPolarHBondContact CD2-NE2 3.04Å
583	D	93.5	Very high	90.9	Very high	51 Å²	51	53.2 Å²	53.2	27%	0.273	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	25.5	177.9	-179.8	82.2	0	0	0	113.6	R585 Y586 R654 F656	D583-R585 WeakPolarHBondContact O-CB 3.12Å; D583-R585 PolarHBondContact O-N 3.29Å; D583-Y586 HydrophobicContact CB-CD2 3.99Å; D583-Y586 HydrophobicContact CB-CE2 4.19Å; D583-R654 IonicContact OD1-CZ 3.02Å; D583-R654 IonicContact OD1-NH1 3.74Å; D583-R654 IonicContact OD1-NH2 3.4Å; D583-R654 PolarHBondContact OD1-NH2 3.18Å; D583-R654 IonicContact OD2-CZ 3.86Å; D583-R654 VanDerWaalsContact OD2-CZ 3.23Å; D583-R654 IonicContact OD2-NH1 2.75Å; D583-R654 PolarHBondContact OD2-NH1 2.96Å; D583-R654 IonicContact OD2-NH2 3.51Å; D583-R654 PolarHBondContact OD2-NH2 3.47Å; D583-F656 HydrophobicContact CB-CB 4.43Å; D583-F656 HydrophobicContact CB-CD1 3.95Å; D583-F656 HydrophobicContact CB-CD2 3.72Å; D583-F656 HydrophobicContact CB-CE1 4.04Å; D583-F656 HydrophobicContact CB-CE2 3.82Å; D583-F656 HydrophobicContact CB-CG 3.79Å; D583-F656 HydrophobicContact CB-CZ 3.98Å
584	N	91.1	Very high	90.3	Very high	157 Å²	157	58.2 Å²	58.2	84%	0.84	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	24	-172.3	-61.9	-37.1	0	0	0	114.2	V581 L582	V581-N584 VanDerWaalsContact CG1-C 3.49Å; L582-N584 PolarHBondContact O-N 2.9Å
585	R	93.8	Very high	89.4	Confident	52 Å²	52	59.6 Å²	59.6	20%	0.196	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-145.6	-35.3	-166.4	177.3	178.2	176.2	158.3	2.3	115.3	V581 L582 D583 D605 Q606 A607	V581-R585 VanDerWaalsContact CG1-N 3.28Å; L582-R585 PolarHBondContact O-N 2.8Å; D583-R585 WeakPolarHBondContact O-CB 3.12Å; D583-R585 PolarHBondContact O-N 3.29Å; R585-D605 WeakPolarHBondContact CG-OD1 3.42Å; R585-D605 IonicContact CZ-OD1 3.05Å; R585-D605 IonicContact CZ-OD2 3.3Å; R585-D605 VanDerWaalsContact NE-CG 3.33Å; R585-D605 IonicContact NE-OD1 3.84Å; R585-D605 PolarHBondContact NE-OD1 3.42Å; R585-D605 IonicContact NE-OD2 3.8Å; R585-D605 PolarHBondContact NE-OD2 2.91Å; R585-D605 IonicContact NH2-OD1 3.31Å; R585-D605 PolarHBondContact NH2-OD1 3.36Å; R585-D605 IonicContact NH2-OD2 3.55Å; R585-D605 PolarHBondContact NH2-OD2 2.93Å; R585-Q606 WeakPolarHBondContact O-CB 3.4Å; R585-Q606 WeakPolarHBondContact O-CG 3.22Å; R585-Q606 PolarHBondContact O-N 2.85Å; R585-A607 HydrophobicContact CG-CB 4.05Å
586	Y	95.8	Very high	88.7	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.008	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	101.7	-171.9	-60.4	-70.9	0	0	0	111.1	V581 L582 D583 V588 R604 D605 V613 I615 R654 F656 V665	V581-Y586 WeakPolarHBondContact CA-O 3.47Å; L582-Y586 PolarHBondContact N-O 2.97Å; L582-Y586 PolarHBondContact O-N 3.49Å; D583-Y586 HydrophobicContact CB-CD2 3.99Å; D583-Y586 HydrophobicContact CB-CE2 4.19Å; Y586-V588 PolarHBondContact O-N 2.89Å; Y586-R604 WeakPolarHBondContact CA-O 3.47Å; Y586-D605 HydrophobicContact CD1-CB 3.98Å; Y586-D605 HydrophobicContact CE1-CB 3.72Å; Y586-V613 HydrophobicContact CD1-CG2 3.83Å; Y586-V613 HydrophobicContact CE1-CG2 4.22Å; Y586-I615 HydrophobicContact CD1-CD1 4.29Å; Y586-I615 HydrophobicContact CD2-CD1 4.37Å; Y586-I615 HydrophobicContact CG-CD1 3.84Å; Y586-R654 WeakPolarHBondContact OH-CD 3.29Å; Y586-R654 PolarHBondContact OH-NH1 2.79Å; Y586-R654 VanDerWaalsContact OH-NH1 3.09Å; Y586-F656 HydrophobicContact CD2-CD1 4.37Å; Y586-F656 AromaticContact CD2-CE1 3.57Å; Y586-F656 HydrophobicContact CD2-CE1 3.57Å; Y586-F656 HydrophobicContact CD2-CZ 4Å; Y586-F656 HydrophobicContact CE2-CD1 4.01Å; Y586-F656 AromaticContact CE2-CE1 3.59Å; Y586-F656 HydrophobicContact CE2-CE1 3.59Å; Y586-F656 HydrophobicContact CE2-CZ 4.45Å; Y586-V665 HydrophobicContact CE1-CG1 4.05Å; Y586-V665 HydrophobicContact CE2-CG2 3.95Å
587	L	94.9	Very high	88.3	Confident	42 Å²	42	63 Å²	63	22%	0.22	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	118.1	175.1	-179.3	67.7	0	0	0	110	G579 V581 N589 G603 R604 Q606	G579-L587 WeakPolarHBondContact O-CD1 3.33Å; V581-L587 HydrophobicContact CG2-CD1 3.9Å; L587-N589 PolarHBondContact O-N 3.31Å; L587-N589 PolarHBondContact O-ND2 2.92Å; L587-G603 CarbonylContact O-C 3.55Å; L587-G603 VanDerWaalsContact O-CA 3.25Å; L587-G603 WeakPolarHBondContact O-CA 3.24Å; L587-R604 PolarHBondContact N-O 3.08Å; L587-R604 PolarHBondContact O-N 2.67Å; L587-Q606 HydrophobicContact CB-CG 4.38Å
588	V	95.3	Very high	88.2	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.006	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	121	177.1	-179.6	0	0	0	0	110.2	V576 G579 E580 L582 Y586 V601	V576-V588 HydrophobicContact CG1-CB 4.24Å; V576-V588 HydrophobicContact CG1-CG1 3.76Å; V576-V588 HydrophobicContact CG1-CG2 3.87Å; G579-V588 PolarHBondContact N-O 3.39Å; E580-V588 PolarHBondContact O-N 3.12Å; L582-V588 HydrophobicContact CD1-CG2 3.86Å; L582-V588 HydrophobicContact CG-CG2 3.92Å; Y586-V588 PolarHBondContact O-N 2.89Å; V588-V601 HydrophobicContact CG1-CB 4.13Å; V588-V601 HydrophobicContact CG1-CG2 4.3Å; V588-V601 HydrophobicContact CG2-CG2 4.32Å
589	N	92.1	Very high	88.2	Confident	55 Å²	55	51.5 Å²	51.5	29%	0.294	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-16.7	179	-51.6	-78.7	0	0	0	113.4	L587 R602 R604	L587-N589 PolarHBondContact O-N 3.31Å; L587-N589 PolarHBondContact O-ND2 2.92Å; N589-R602 PolarHBondContact N-O 2.7Å; N589-R602 PolarHBondContact ND2-O 2.95Å; N589-R604 WeakPolarHBondContact ND2-CG 3.37Å; N589-R604 PolarHBondContact ND2-N 2.81Å; N589-R604 PolarHBondContact OD1-NH1 2.88Å
590	G	91.4	Very high	88.3	Confident	13 Å²	13	51.2 Å²	51.2	13%	0.134	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.4	175.9	-178.8	0	0	0	0	0	113.8	R602	G590-R602 PolarHBondContact O-N 3.41Å
591	Y	88.3	Confident	88.4	Confident	112 Å²	112	50 Å²	50	44%	0.439	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	149.2	-178.9	-70.8	-94.9	0	0	0	112.2	V576 I578 V601	V576-Y591 HydrophobicContact CB-CE1 4.44Å; V576-Y591 PolarHBondContact O-OH 3.46Å; I578-Y591 HydrophobicContact CD1-CD2 4.45Å; I578-Y591 HydrophobicContact CG1-CE2 4.31Å; Y591-V601 HydrophobicContact CD1-CG1 3.82Å; Y591-V601 HydrophobicContact CE1-CG1 4.02Å; Y591-V601 HydrophobicContact CG-CG1 4.37Å
592	T	84	Confident	88.5	Confident	63 Å²	63	52.7 Å²	52.7	39%	0.387	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-42.3	163.3	-54.6	0	0	0	0	110.9	V600 R602	T592-V600 WeakPolarHBondContact CA-O 3.39Å; T592-V600 WeakPolarHBondContact CB-O 3.43Å; T592-V600 PolarHBondContact N-O 3.32Å; T592-R602 WeakPolarHBondContact OG1-CG 3.44Å; T592-R602 PolarHBondContact OG1-NE 3Å
593	G	75.6	Confident	88.5	Confident	35 Å²	35	52.8 Å²	52.8	36%	0.361	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.6	157.1	177.9	0	0	0	0	0	112.5	V600	G593-V600 PolarHBondContact N-O 3.4Å; G593-V600 VanDerWaalsContact N-O 3.15Å; G593-V600 PolarHBondContact O-N 3.12Å
594	Q	75.9	Confident	88.6	Confident	130 Å²	130	55.3 Å²	55.3	61%	0.607	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.3	124.3	169	173.8	165.9	22.5	0	0	106.7	Y573 N599	Y573-Q594 HydrophobicContact CE1-CG 3.9Å; Q594-N599 WeakPolarHBondContact CG-OD1 3.45Å
595	G	71.8	Confident	88.8	Confident	32 Å²	32	48 Å²	48	33%	0.33	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	161.8	-178.9	0	0	0	0	0	111.2	Y573 F597 S598	Y573-G595 WeakPolarHBondContact CE1-O 3.39Å; Y573-G595 PolarHBondContact OH-O 3.12Å; G595-F597 PolarHBondContact O-N 3.37Å; G595-S598 PolarHBondContact N-O 2.98Å; G595-S598 PolarHBondContact O-N 3.47Å; G595-S598 VanDerWaalsContact O-N 3.14Å
596	V	76.9	Confident	88.7	Confident	101 Å²	101	49.5 Å²	49.5	61%	0.612	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-27.1	-174.5	-176.3	0	0	0	0	112.8	R619	V596-R619 PolarHBondContact O-NE 2.87Å; V596-R619 PolarHBondContact O-NH2 3.26Å
597	F	81.3	Confident	88.4	Confident	94 Å²	94	53 Å²	53	41%	0.412	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-15	-176.1	-42.9	-57.9	0	0	0	114.7	G595 R619 M624	G595-F597 PolarHBondContact O-N 3.37Å; F597-R619 PolarHBondContact O-N 2.95Å; F597-M624 HydrophobicContact CB-SD 4.1Å; F597-M624 HydrophobicContact CD1-CE 4.32Å; F597-M624 HydrophobicContact CD1-SD 3.7Å; F597-M624 HydrophobicContact CG-SD 4.37Å
598	S	89.6	Confident	88	Confident	9 Å²	9	59.5 Å²	59.5	6%	0.063	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.9	152.3	-167.7	62.8	0	0	0	0	114.2	G595 K616 I617	G595-S598 PolarHBondContact N-O 2.98Å; G595-S598 PolarHBondContact O-N 3.47Å; G595-S598 VanDerWaalsContact O-N 3.14Å; S598-K616 WeakPolarHBondContact OG-CE 3.44Å; S598-K616 WeakPolarHBondContact OG-CG 3.43Å; S598-I617 CarbonylContact C-O 3.57Å; S598-I617 VanDerWaalsContact CA-O 3.24Å; S598-I617 WeakPolarHBondContact CA-O 3.43Å; S598-I617 VanDerWaalsContact CB-O 3.25Å; S598-I617 WeakPolarHBondContact CB-O 3.12Å
599	N	91.4	Very high	87.5	Confident	9 Å²	9	62.8 Å²	62.8	5%	0.048	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	136.8	166	-74.5	-20.5	0	0	0	110.7	Y573 Y574 Q594 I617	Y573-N599 WeakPolarHBondContact CD1-OD1 3.22Å; Y574-N599 PolarHBondContact O-ND2 3.09Å; Y574-N599 VanDerWaalsContact O-ND2 3.08Å; Q594-N599 WeakPolarHBondContact CG-OD1 3.45Å; N599-I617 PolarHBondContact N-O 3.47Å; N599-I617 PolarHBondContact O-N 3.25Å
600	V	92.8	Very high	87.3	Confident	39 Å²	39	64.5 Å²	64.5	24%	0.236	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	113.5	178	-175	0	0	0	0	110.6	T592 G593 I615 K616	T592-V600 WeakPolarHBondContact CA-O 3.39Å; T592-V600 WeakPolarHBondContact CB-O 3.43Å; T592-V600 PolarHBondContact N-O 3.32Å; G593-V600 PolarHBondContact N-O 3.4Å; G593-V600 VanDerWaalsContact N-O 3.15Å; G593-V600 PolarHBondContact O-N 3.12Å; V600-I615 WeakPolarHBondContact CA-O 3.37Å; V600-K616 HydrophobicContact CG2-CB 4.34Å; V600-K616 HydrophobicContact CG2-CG 4.13Å
601	V	94.7	Very high	87.3	Confident	0 Å²	0	66 Å²	66	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	156.8	-176.7	-60.7	0	0	0	0	112.8	V576 V588 Y591 I615 I617	V576-V601 HydrophobicContact CB-CG1 4.35Å; V576-V601 HydrophobicContact CG1-CG1 4.2Å; V576-V601 HydrophobicContact CG2-CG1 4.01Å; V588-V601 HydrophobicContact CG1-CB 4.13Å; V588-V601 HydrophobicContact CG1-CG2 4.3Å; V588-V601 HydrophobicContact CG2-CG2 4.32Å; Y591-V601 HydrophobicContact CD1-CG1 3.82Å; Y591-V601 HydrophobicContact CE1-CG1 4.02Å; Y591-V601 HydrophobicContact CG-CG1 4.37Å; V601-I615 HydrophobicContact CG2-CB 4.03Å; V601-I615 PolarHBondContact N-O 3.49Å; V601-I615 PolarHBondContact O-N 2.87Å; V601-I617 HydrophobicContact CG2-CD1 4.23Å
602	R	94.6	Very high	87.6	Confident	110 Å²	110	64.8 Å²	64.8	42%	0.415	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	113	177.7	-58.1	-170.3	173.2	-162.3	-9.2	109.4	N589 G590 T592 A670	N589-R602 PolarHBondContact N-O 2.7Å; N589-R602 PolarHBondContact ND2-O 2.95Å; G590-R602 PolarHBondContact O-N 3.41Å; T592-R602 WeakPolarHBondContact OG1-CG 3.44Å; T592-R602 PolarHBondContact OG1-NE 3Å; R602-A670 PolarHBondContact NH2-O 3.11Å
603	G	94.5	Very high	88.1	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.01	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	163.8	177.1	0	0	0	0	0	113.2	L587 N612 V613	L587-G603 CarbonylContact O-C 3.55Å; L587-G603 VanDerWaalsContact O-CA 3.25Å; L587-G603 WeakPolarHBondContact O-CA 3.24Å; G603-N612 WeakPolarHBondContact O-CA 3.27Å; G603-V613 PolarHBondContact N-O 3.28Å; G603-V613 PolarHBondContact O-N 2.85Å
604	R	94.9	Very high	89.1	Confident	105 Å²	105	61.4 Å²	61.4	40%	0.396	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	127.5	157.6	-81.1	166.6	-170.8	152.7	0.5	109.2	Y586 L587 N589 Q606 A611	Y586-R604 WeakPolarHBondContact CA-O 3.47Å; L587-R604 PolarHBondContact N-O 3.08Å; L587-R604 PolarHBondContact O-N 2.67Å; N589-R604 WeakPolarHBondContact ND2-CG 3.37Å; N589-R604 PolarHBondContact ND2-N 2.81Å; N589-R604 PolarHBondContact OD1-NH1 2.88Å; R604-Q606 PolarHBondContact O-N 3.43Å; R604-A611 CarbonylContact C-O 3.46Å; R604-A611 WeakPolarHBondContact CA-O 3.35Å
605	D	95.3	Very high	90	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.016	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	99	172.5	-172.3	-21	0	0	0	109.4	R585 Y586 A607 R608 Q610 A611 V613	R585-D605 WeakPolarHBondContact CG-OD1 3.42Å; R585-D605 IonicContact CZ-OD1 3.05Å; R585-D605 IonicContact CZ-OD2 3.3Å; R585-D605 VanDerWaalsContact NE-CG 3.33Å; R585-D605 IonicContact NE-OD1 3.84Å; R585-D605 PolarHBondContact NE-OD1 3.42Å; R585-D605 IonicContact NE-OD2 3.8Å; R585-D605 PolarHBondContact NE-OD2 2.91Å; R585-D605 IonicContact NH2-OD1 3.31Å; R585-D605 PolarHBondContact NH2-OD1 3.36Å; R585-D605 IonicContact NH2-OD2 3.55Å; R585-D605 PolarHBondContact NH2-OD2 2.93Å; Y586-D605 HydrophobicContact CD1-CB 3.98Å; Y586-D605 HydrophobicContact CE1-CB 3.72Å; D605-A607 PolarHBondContact O-N 3.46Å; D605-A607 PolarHBondContact OD1-N 3.25Å; D605-A607 VanDerWaalsContact OD1-N 3.09Å; D605-R608 HydrophobicContact CB-CB 4.14Å; D605-R608 CarbonylContact O-C 3.54Å; D605-R608 PolarHBondContact O-N 3.48Å; D605-R608 PolarHBondContact OD1-N 3.46Å; D605-R608 WeakPolarHBondContact OD2-CD 3.41Å; D605-R608 WeakPolarHBondContact OD2-CG 3.17Å; D605-R608 IonicContact OD2-NE 2.63Å; D605-Q610 VanDerWaalsContact O-CA 3.31Å; D605-Q610 WeakPolarHBondContact O-CA 3.39Å; D605-Q610 PolarHBondContact O-N 2.85Å; D605-A611 PolarHBondContact N-O 2.95Å; D605-V613 HydrophobicContact CB-CG1 4.38Å
606	Q	91.8	Very high	91.1	Very high	84 Å²	84	54.3 Å²	54.3	39%	0.393	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-62.5	-33.6	-178.9	-61.3	-168.8	-14	0	0	111.8	R585 L587 R604	R585-Q606 WeakPolarHBondContact O-CB 3.4Å; R585-Q606 WeakPolarHBondContact O-CG 3.22Å; R585-Q606 PolarHBondContact O-N 2.85Å; L587-Q606 HydrophobicContact CB-CG 4.38Å; R604-Q606 PolarHBondContact O-N 3.43Å
607	A	89.2	Confident	91.9	Very high	76 Å²	76	49.7 Å²	49.7	63%	0.628	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-77	-19.4	179.5	0	0	0	0	0	113.5	R585 D605	R585-A607 HydrophobicContact CG-CB 4.05Å; D605-A607 PolarHBondContact O-N 3.46Å; D605-A607 PolarHBondContact OD1-N 3.25Å; D605-A607 VanDerWaalsContact OD1-N 3.09Å
608	R	87.7	Confident	92.6	Very high	177 Å²	177	45.5 Å²	45.5	67%	0.668	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-108	44	171.2	-63.3	-174	-173.9	-75.5	8.4	112.1	D605 Q610 A611	D605-R608 HydrophobicContact CB-CB 4.14Å; D605-R608 CarbonylContact O-C 3.54Å; D605-R608 PolarHBondContact O-N 3.48Å; D605-R608 PolarHBondContact OD1-N 3.46Å; D605-R608 WeakPolarHBondContact OD2-CD 3.41Å; D605-R608 WeakPolarHBondContact OD2-CG 3.17Å; D605-R608 IonicContact OD2-NE 2.63Å; R608-Q610 PolarHBondContact O-N 3.14Å; R608-A611 HydrophobicContact CB-CB 4.47Å; R608-A611 WeakPolarHBondContact O-CB 3.44Å; R608-A611 PolarHBondContact O-N 2.95Å
609	G	84.4	Confident	92.6	Very high	70 Å²	70	46.5 Å²	46.5	72%	0.722	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.4	35.4	169.3	0	0	0	0	0	114.5	A611	G609-A611 VanDerWaalsContact C-N 3.3Å; G609-A611 PolarHBondContact O-N 2.81Å
610	Q	86.5	Confident	92.5	Very high	91 Å²	91	48.8 Å²	48.8	43%	0.425	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.8	27	-178.1	-52.6	-68.9	-23.7	0	0	114.3	D605 R608 N612	D605-Q610 VanDerWaalsContact O-CA 3.31Å; D605-Q610 WeakPolarHBondContact O-CA 3.39Å; D605-Q610 PolarHBondContact O-N 2.85Å; R608-Q610 PolarHBondContact O-N 3.14Å; Q610-N612 PolarHBondContact O-N 2.97Å
611	A	92.1	Very high	92.3	Very high	45 Å²	45	50.4 Å²	50.4	37%	0.372	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	133.9	173.6	0	0	0	0	0	111.5	R604 D605 R608 G609	R604-A611 CarbonylContact C-O 3.46Å; R604-A611 WeakPolarHBondContact CA-O 3.35Å; D605-A611 PolarHBondContact N-O 2.95Å; R608-A611 HydrophobicContact CB-CB 4.47Å; R608-A611 WeakPolarHBondContact O-CB 3.44Å; R608-A611 PolarHBondContact O-N 2.95Å; G609-A611 VanDerWaalsContact C-N 3.3Å; G609-A611 PolarHBondContact O-N 2.81Å
612	N	93.9	Very high	92	Very high	87 Å²	87	58.8 Å²	58.8	47%	0.465	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	140.4	175.8	-67.2	-30.3	0	0	0	110.6	G603 Q610 P668	G603-N612 WeakPolarHBondContact O-CA 3.27Å; Q610-N612 PolarHBondContact O-N 2.97Å; N612-P668 HydrophobicContact CB-CB 4.02Å; N612-P668 HydrophobicContact CB-CG 4.28Å; N612-P668 WeakPolarHBondContact O-CD 3.46Å; N612-P668 VanDerWaalsContact O-CG 3.29Å; N612-P668 WeakPolarHBondContact O-CG 3.42Å
613	V	95.4	Very high	91.8	Very high	7 Å²	7	56.4 Å²	56.4	4%	0.042	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	154.6	174.9	-66.3	0	0	0	0	110.6	Y586 G603 D605 I615 Y653 V665	Y586-V613 HydrophobicContact CD1-CG2 3.83Å; Y586-V613 HydrophobicContact CE1-CG2 4.22Å; G603-V613 PolarHBondContact N-O 3.28Å; G603-V613 PolarHBondContact O-N 2.85Å; D605-V613 HydrophobicContact CB-CG1 4.38Å; V613-I615 HydrophobicContact CG2-CD1 4.19Å; V613-I615 HydrophobicContact CG2-CG1 4.08Å; V613-Y653 HydrophobicContact CG1-CD2 4.14Å; V613-Y653 HydrophobicContact CG1-CE2 4.17Å; V613-V665 HydrophobicContact CB-CG1 3.86Å; V613-V665 HydrophobicContact CG1-CG1 3.96Å; V613-V665 HydrophobicContact CG2-CG1 4.13Å
614	A	95.7	Very high	91.6	Very high	19 Å²	19	58.3 Å²	58.3	16%	0.157	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	141.9	163.8	0	0	0	0	0	109.5	V665 F666	A614-V665 WeakPolarHBondContact O-CA 3.26Å; A614-F666 HydrophobicContact CB-CB 4.28Å; A614-F666 PolarHBondContact N-O 3.5Å; A614-F666 VanDerWaalsContact N-O 3.12Å; A614-F666 PolarHBondContact O-N 3.26Å
615	I	95.5	Very high	91.3	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	114.7	179.8	-52.7	178.6	0	0	0	108.5	L582 Y586 V600 V601 V613 I617 F656 C663 M664 V665	L582-I615 HydrophobicContact CD1-CD1 4.2Å; L582-I615 HydrophobicContact CD1-CG2 4.37Å; Y586-I615 HydrophobicContact CD1-CD1 4.29Å; Y586-I615 HydrophobicContact CD2-CD1 4.37Å; Y586-I615 HydrophobicContact CG-CD1 3.84Å; V600-I615 WeakPolarHBondContact CA-O 3.37Å; V601-I615 HydrophobicContact CG2-CB 4.03Å; V601-I615 PolarHBondContact N-O 3.49Å; V601-I615 PolarHBondContact O-N 2.87Å; V613-I615 HydrophobicContact CG2-CD1 4.19Å; V613-I615 HydrophobicContact CG2-CG1 4.08Å; I615-I617 HydrophobicContact CG2-CG1 4.04Å; I615-F656 HydrophobicContact CG2-CZ 4.33Å; I615-C663 HydrophobicContact CG2-CB 4.32Å; I615-M664 CarbonylContact C-O 3.59Å; I615-M664 WeakPolarHBondContact CA-O 3.42Å; I615-V665 HydrophobicContact CG1-CG2 4.46Å
616	K	94.9	Very high	91.1	Very high	13 Å²	13	60.5 Å²	60.5	6%	0.057	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	118	172.9	-170.5	179	-174.6	-178.8	0	107.9	S598 V600 I618 E631 C663 M664 F666 D733	S598-K616 WeakPolarHBondContact OG-CE 3.44Å; S598-K616 WeakPolarHBondContact OG-CG 3.43Å; V600-K616 HydrophobicContact CG2-CB 4.34Å; V600-K616 HydrophobicContact CG2-CG 4.13Å; K616-I618 HydrophobicContact CD-CD1 4.09Å; K616-I618 HydrophobicContact CG-CD1 4.05Å; K616-E631 IonicContact NZ-OE1 3.99Å; K616-E631 PolarHBondContact NZ-OE1 2.98Å; K616-E631 IonicContact NZ-OE2 3.89Å; K616-E631 PolarHBondContact NZ-OE2 3.04Å; K616-C663 WeakPolarHBondContact O-CA 3.27Å; K616-M664 HydrophobicContact CD-CE 4.42Å; K616-M664 PolarHBondContact N-O 2.94Å; K616-M664 PolarHBondContact O-N 2.86Å; K616-F666 HydrophobicContact CB-CD2 4.29Å; K616-F666 HydrophobicContact CB-CE2 3.75Å; K616-F666 HydrophobicContact CD-CE2 4.39Å; K616-D733 IonicContact NZ-OD1 3.32Å; K616-D733 PolarHBondContact NZ-OD1 2.84Å
617	I	94.7	Very high	91.1	Very high	4 Å²	4	58 Å²	58	2%	0.021	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	108.3	179.8	-53	178.2	0	0	0	106.7	Y574 V576 L582 S598 N599 V601 I615 H661	Y574-I617 HydrophobicContact CD1-CD1 4.11Å; Y574-I617 HydrophobicContact CD1-CG2 4.46Å; Y574-I617 HydrophobicContact CG-CG2 4.35Å; V576-I617 HydrophobicContact CG2-CD1 3.6Å; L582-I617 HydrophobicContact CD1-CD1 3.96Å; S598-I617 CarbonylContact C-O 3.57Å; S598-I617 VanDerWaalsContact CA-O 3.24Å; S598-I617 WeakPolarHBondContact CA-O 3.43Å; S598-I617 VanDerWaalsContact CB-O 3.25Å; S598-I617 WeakPolarHBondContact CB-O 3.12Å; N599-I617 PolarHBondContact N-O 3.47Å; N599-I617 PolarHBondContact O-N 3.25Å; V601-I617 HydrophobicContact CG2-CD1 4.23Å; I615-I617 HydrophobicContact CG2-CG1 4.04Å; I617-H661 HydrophobicContact CG2-CB 3.65Å
618	I	94.2	Very high	91.3	Very high	6 Å²	6	54.5 Å²	54.5	3%	0.031	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	144	-178.8	-54.9	-57.7	0	0	0	109.4	K616 M624 H661 L662 M664	K616-I618 HydrophobicContact CD-CD1 4.09Å; K616-I618 HydrophobicContact CG-CD1 4.05Å; I618-M624 HydrophobicContact CG2-CB 4.05Å; I618-M624 WeakPolarHBondContact CG2-O 3.5Å; I618-H661 PolarHBondContact O-ND1 3.33Å; I618-L662 HydrophobicContact CB-CB 4.23Å; I618-L662 HydrophobicContact CG1-CB 4.22Å; I618-L662 HydrophobicContact CG1-CD2 4.33Å; I618-L662 HydrophobicContact CG1-CG 4.28Å; I618-L662 PolarHBondContact N-O 3.27Å; I618-M664 HydrophobicContact CD1-CE 3.85Å; I618-M664 HydrophobicContact CG1-CE 4.03Å
619	R	91.4	Very high	91.6	Very high	31 Å²	31	49.5 Å²	49.5	12%	0.117	27%	0.272	C	S	.	.			trans	-58	148.1	175.5	-67.7	-175.6	-169	-130.5	15.6	112.1	E571 G572 Y573 V596 F597 N621 M624	E571-R619 PolarHBondContact O-NH1 3.43Å; E571-R619 IonicContact OE2-CZ 3.82Å; E571-R619 IonicContact OE2-NH1 3.35Å; E571-R619 PolarHBondContact OE2-NH1 2.94Å; E571-R619 IonicContact OE2-NH2 2.75Å; E571-R619 PolarHBondContact OE2-NH2 2.85Å; G572-R619 CarbonylContact O-C 3.59Å; G572-R619 WeakPolarHBondContact O-CA 3.47Å; G572-R619 VanDerWaalsContact O-CB 3.32Å; G572-R619 WeakPolarHBondContact O-CB 3.39Å; Y573-R619 HydrophobicContact CD1-CG 4.07Å; Y573-R619 HydrophobicContact CE1-CG 4.49Å; Y573-R619 HydrophobicContact CG-CG 4.3Å; Y573-R619 PolarHBondContact OH-NH2 3.12Å; Y573-R619 VanDerWaalsContact OH-NH2 3.12Å; V596-R619 PolarHBondContact O-NE 2.87Å; V596-R619 PolarHBondContact O-NH2 3.26Å; F597-R619 PolarHBondContact O-N 2.95Å; R619-N621 VanDerWaalsContact C-N 3.25Å; R619-N621 PolarHBondContact O-N 3.42Å; R619-M624 HydrophobicContact CB-CB 4.22Å; R619-M624 HydrophobicContact CB-CG 4.19Å
620	N	88.9	Confident	92	Very high	57 Å²	57	52.5 Å²	52.5	31%	0.305	26%	0.262	S	S	.	.	S	Bend	trans	-79	76.4	171.2	-166.3	12.7	0	0	0	109.4	D568 G572 Q660 H661	D568-N620 VanDerWaalsContact OD2-CB 3.29Å; D568-N620 WeakPolarHBondContact OD2-CB 3.35Å; D568-N620 PolarHBondContact OD2-ND2 3.48Å; G572-N620 PolarHBondContact O-N 2.78Å; N620-Q660 PolarHBondContact ND2-OE1 3.29Å; N620-H661 VanDerWaalsContact CB-CE1 3.5Å; N620-H661 WeakPolarHBondContact CB-CE1 3.39Å; N620-H661 PolarHBondContact N-CE1 2.82Å; N620-H661 PolarHBondContact N-ND1 2.9Å
621	N	88.8	Confident	92.3	Very high	73 Å²	73	48.3 Å²	48.3	39%	0.39	24%	0.242	S	C	.	.	S	Bend	trans	-150	133.8	179.5	167.7	-65.9	0	0	0	107	R619 I623 M624 H625	R619-N621 VanDerWaalsContact C-N 3.25Å; R619-N621 PolarHBondContact O-N 3.42Å; N621-I623 PolarHBondContact O-N 2.88Å; N621-I623 WeakPolarHBondContact OD1-CB 3.41Å; N621-I623 PolarHBondContact OD1-N 3.31Å; N621-M624 HydrophobicContact CB-CB 4.1Å; N621-M624 HydrophobicContact CB-CG 3.92Å; N621-M624 CarbonylContact O-C 3.5Å; N621-M624 WeakPolarHBondContact O-CB 3.25Å; N621-M624 PolarHBondContact O-N 3.08Å; N621-M624 VanDerWaalsContact O-N 3.11Å; N621-M624 PolarHBondContact OD1-N 2.75Å; N621-H625 WeakPolarHBondContact O-CB 3.48Å; N621-H625 PolarHBondContact O-N 3.44Å
622	E	88.6	Confident	92.5	Very high	175 Å²	175	46.5 Å²	46.5	82%	0.818	23%	0.226	S	C	*	.	H	α-helix	trans	-60.3	-40.7	-170.1	-60.2	-173.4	172.2	0	0	113.5	H625 K626	E622-H625 PolarHBondContact O-N 2.86Å; E622-K626 WeakPolarHBondContact O-CB 3.31Å; E622-K626 PolarHBondContact O-N 2.7Å
623	I	88.9	Confident	92.5	Very high	61 Å²	61	48.6 Å²	48.6	31%	0.313	23%	0.233	S	C	.	.	H	α-helix	trans	-65.8	-42.5	177.7	-52.7	175.3	0	0	0	110	N621 T627	N621-I623 PolarHBondContact O-N 2.88Å; N621-I623 WeakPolarHBondContact OD1-CB 3.41Å; N621-I623 PolarHBondContact OD1-N 3.31Å; I623-T627 VanDerWaalsContact O-CB 3.31Å; I623-T627 WeakPolarHBondContact O-CB 3.23Å; I623-T627 PolarHBondContact O-N 2.91Å; I623-T627 PolarHBondContact O-OG1 3.33Å
624	M	89.8	Confident	92.5	Very high	41 Å²	41	49.2 Å²	49.2	20%	0.202	24%	0.236	C	C	.	.	H	α-helix	trans	-66.9	-38.4	176.7	-61.5	-64.7	102.4	0	0	111.7	F597 I618 R619 N621 T627 G628	F597-M624 HydrophobicContact CB-SD 4.1Å; F597-M624 HydrophobicContact CD1-CE 4.32Å; F597-M624 HydrophobicContact CD1-SD 3.7Å; F597-M624 HydrophobicContact CG-SD 4.37Å; I618-M624 HydrophobicContact CG2-CB 4.05Å; I618-M624 WeakPolarHBondContact CG2-O 3.5Å; R619-M624 HydrophobicContact CB-CB 4.22Å; R619-M624 HydrophobicContact CB-CG 4.19Å; N621-M624 HydrophobicContact CB-CB 4.1Å; N621-M624 HydrophobicContact CB-CG 3.92Å; N621-M624 CarbonylContact O-C 3.5Å; N621-M624 WeakPolarHBondContact O-CB 3.25Å; N621-M624 PolarHBondContact O-N 3.08Å; N621-M624 VanDerWaalsContact O-N 3.11Å; N621-M624 PolarHBondContact OD1-N 2.75Å; M624-T627 PolarHBondContact O-N 3.22Å; M624-G628 PolarHBondContact O-N 3.35Å
625	H	90.3	Very high	92.6	Very high	64 Å²	64	48.3 Å²	48.3	30%	0.296	23%	0.229	S	C	.	.	H	α-helix	trans	-68.3	-48.6	177.6	-177.3	-109	0	0	0	111.9	N621 E622 T627 G628 L629 F657	N621-H625 WeakPolarHBondContact O-CB 3.48Å; N621-H625 PolarHBondContact O-N 3.44Å; E622-H625 PolarHBondContact O-N 2.86Å; H625-T627 VanDerWaalsContact C-N 3.27Å; H625-T627 PolarHBondContact O-N 3.16Å; H625-G628 PolarHBondContact O-N 2.7Å; H625-G628 VanDerWaalsContact O-N 3.14Å; H625-L629 WeakPolarHBondContact O-CG 3.42Å; H625-L629 PolarHBondContact O-N 3.13Å; H625-F657 AromaticContact NE2-CE1 3.44Å; H625-F657 WeakPolarHBondContact NE2-CE1 3.49Å; H625-F657 AromaticContact NE2-CZ 3.92Å
626	K	91.1	Very high	92.6	Very high	89 Å²	89	52.2 Å²	52.2	39%	0.387	25%	0.246	S	C	.	.	H	α-helix	trans	-51.7	-44.6	170.6	-179.8	-177.5	175.9	-170.9	0	111	E157 E622 R630	E157-K626 IonicContact OE1-NZ 3.88Å; E157-K626 PolarHBondContact OE1-NZ 2.92Å; E622-K626 WeakPolarHBondContact O-CB 3.31Å; E622-K626 PolarHBondContact O-N 2.7Å; K626-R630 PolarHBondContact O-N 2.93Å
627	T	91.1	Very high	92.6	Very high	33 Å²	33	56.1 Å²	56.1	20%	0.202	26%	0.262	C	S	.	.	H	α-helix	trans	-68.6	-43.5	176.3	-56.6	0	0	0	0	112.5	I623 M624 H625 L629 R630 E631 G735	I623-T627 VanDerWaalsContact O-CB 3.31Å; I623-T627 WeakPolarHBondContact O-CB 3.23Å; I623-T627 PolarHBondContact O-N 2.91Å; I623-T627 PolarHBondContact O-OG1 3.33Å; M624-T627 PolarHBondContact O-N 3.22Å; H625-T627 VanDerWaalsContact C-N 3.27Å; H625-T627 PolarHBondContact O-N 3.16Å; T627-L629 VanDerWaalsContact C-N 3.29Å; T627-L629 PolarHBondContact O-N 3.12Å; T627-R630 WeakPolarHBondContact O-CB 3.36Å; T627-R630 PolarHBondContact O-N 3.37Å; T627-E631 PolarHBondContact O-N 2.85Å; T627-G735 WeakPolarHBondContact CG2-O 3.24Å
628	G	93.1	Very high	92.7	Very high	2 Å²	2	56 Å²	56	2%	0.021	26%	0.262	C	S	.	.	H	α-helix	trans	-63.5	-31.4	176.7	0	0	0	0	0	113.6	M624 H625 L632	M624-G628 PolarHBondContact O-N 3.35Å; H625-G628 PolarHBondContact O-N 2.7Å; H625-G628 VanDerWaalsContact O-N 3.14Å; G628-L632 VanDerWaalsContact O-CB 3.3Å; G628-L632 WeakPolarHBondContact O-CB 3.46Å; G628-L632 PolarHBondContact O-N 2.81Å
629	L	93.6	Very high	92.7	Very high	71 Å²	71	57 Å²	57	37%	0.372	27%	0.267	S	S	.	.	H	α-helix	trans	-70.1	-38.8	172.2	-70.9	175	0	0	0	112.5	H625 T627 L632 E633 L662	H625-L629 WeakPolarHBondContact O-CG 3.42Å; H625-L629 PolarHBondContact O-N 3.13Å; T627-L629 VanDerWaalsContact C-N 3.29Å; T627-L629 PolarHBondContact O-N 3.12Å; L629-L632 HydrophobicContact CD2-CD2 4.26Å; L629-L632 WeakPolarHBondContact O-CB 3.35Å; L629-L632 PolarHBondContact O-N 3.06Å; L629-E633 PolarHBondContact O-N 3.21Å; L629-L662 HydrophobicContact CD2-CD2 4.1Å; L629-L662 HydrophobicContact CG-CD2 4.37Å
630	R	92.6	Very high	92.9	Very high	133 Å²	133	61.4 Å²	61.4	50%	0.502	29%	0.293	S	S	.	.	H	α-helix	trans	-62.2	-46.9	170.3	-64.5	-174.9	-166.3	142.3	-4.7	111.4	K626 T627 L632 E633 I634	K626-R630 PolarHBondContact O-N 2.93Å; T627-R630 WeakPolarHBondContact O-CB 3.36Å; T627-R630 PolarHBondContact O-N 3.37Å; R630-L632 VanDerWaalsContact C-N 3.3Å; R630-L632 PolarHBondContact O-N 3.3Å; R630-E633 PolarHBondContact O-N 2.98Å; R630-I634 WeakPolarHBondContact O-CB 3.32Å; R630-I634 WeakPolarHBondContact O-CG1 3.43Å; R630-I634 PolarHBondContact O-N 2.78Å
631	E	94.5	Very high	93.3	Very high	4 Å²	4	59.9 Å²	59.9	2%	0.019	29%	0.288	C	S	.	.	H	α-helix	trans	-57.4	-44.2	176.8	172.2	168.4	-141.4	0	0	111.1	K616 T627 E633 I634 L635 M664 F734	K616-E631 IonicContact NZ-OE1 3.99Å; K616-E631 PolarHBondContact NZ-OE1 2.98Å; K616-E631 IonicContact NZ-OE2 3.89Å; K616-E631 PolarHBondContact NZ-OE2 3.04Å; T627-E631 PolarHBondContact O-N 2.85Å; E631-E633 PolarHBondContact O-N 2.83Å; E631-I634 PolarHBondContact O-N 2.9Å; E631-L635 HydrophobicContact CG-CD1 3.68Å; E631-L635 HydrophobicContact CG-CG 4.41Å; E631-L635 VanDerWaalsContact O-CB 3.31Å; E631-L635 WeakPolarHBondContact O-CB 3.32Å; E631-L635 WeakPolarHBondContact O-CD1 3.36Å; E631-L635 VanDerWaalsContact O-CG 3.26Å; E631-L635 WeakPolarHBondContact O-CG 3.34Å; E631-L635 PolarHBondContact O-N 2.91Å; E631-M664 HydrophobicContact CB-CE 4.45Å; E631-M664 HydrophobicContact CG-CE 4.06Å; E631-M664 HydrophobicContact CG-SD 4.39Å; E631-M664 WeakPolarHBondContact OE2-CE 3.41Å; E631-F734 HydrophobicContact CG-CB 4.17Å; E631-F734 PolarHBondContact OE1-N 2.87Å
632	L	95.3	Very high	93.6	Very high	6 Å²	6	56.5 Å²	56.5	3%	0.031	27%	0.27	C	S	.	.	H	α-helix	trans	-59	-44.2	175.7	-179.5	76.9	0	0	0	112.6	G628 L629 R630 K636 L652 H655 M664	G628-L632 VanDerWaalsContact O-CB 3.3Å; G628-L632 WeakPolarHBondContact O-CB 3.46Å; G628-L632 PolarHBondContact O-N 2.81Å; L629-L632 HydrophobicContact CD2-CD2 4.26Å; L629-L632 WeakPolarHBondContact O-CB 3.35Å; L629-L632 PolarHBondContact O-N 3.06Å; R630-L632 VanDerWaalsContact C-N 3.3Å; R630-L632 PolarHBondContact O-N 3.3Å; L632-K636 HydrophobicContact CG-CD 4.47Å; L632-K636 VanDerWaalsContact O-CG 3.3Å; L632-K636 WeakPolarHBondContact O-CG 3.32Å; L632-K636 PolarHBondContact O-N 3.07Å; L632-K636 VanDerWaalsContact O-N 3.07Å; L632-L652 HydrophobicContact CD1-CD1 4.45Å; L632-L652 HydrophobicContact CD1-CD2 3.71Å; L632-H655 HydrophobicContact CD1-CB 3.61Å; L632-M664 HydrophobicContact CB-SD 4.02Å; L632-M664 HydrophobicContact CD1-CG 3.96Å; L632-M664 HydrophobicContact CD1-SD 3.9Å
633	E	95.1	Very high	93.8	Very high	132 Å²	132	53.7 Å²	53.7	62%	0.617	27%	0.267	S	S	*	.	H	α-helix	trans	-67.2	-46.4	178.1	-171.5	-177.6	168.7	0	0	111.8	L629 R630 E631 L635 K636 K637	L629-E633 PolarHBondContact O-N 3.21Å; R630-E633 PolarHBondContact O-N 2.98Å; E631-E633 PolarHBondContact O-N 2.83Å; E633-L635 VanDerWaalsContact C-N 3.31Å; E633-L635 PolarHBondContact O-N 2.67Å; E633-K636 PolarHBondContact O-N 2.96Å; E633-K637 WeakPolarHBondContact O-CB 3.47Å; E633-K637 PolarHBondContact O-N 2.85Å
634	I	95.5	Very high	94.1	Very high	19 Å²	19	56.8 Å²	56.8	10%	0.097	28%	0.28	C	S	.	.	H	α-helix	trans	-57.5	-44.8	176.1	-74.9	172.9	0	0	0	110.8	R630 E631 K637 L638 I710 F734 A737	R630-I634 WeakPolarHBondContact O-CB 3.32Å; R630-I634 WeakPolarHBondContact O-CG1 3.43Å; R630-I634 PolarHBondContact O-N 2.78Å; E631-I634 PolarHBondContact O-N 2.9Å; I634-K637 PolarHBondContact O-N 2.86Å; I634-L638 HydrophobicContact CG2-CD1 3.81Å; I634-L638 WeakPolarHBondContact O-CB 3.41Å; I634-L638 VanDerWaalsContact O-CG 3.24Å; I634-L638 WeakPolarHBondContact O-CG 3.33Å; I634-L638 PolarHBondContact O-N 2.96Å; I634-I710 HydrophobicContact CG1-CD1 4.39Å; I634-I710 HydrophobicContact CG2-CD1 4.04Å; I634-I710 HydrophobicContact CG2-CG2 4.15Å; I634-F734 HydrophobicContact CG2-CB 3.88Å; I634-F734 HydrophobicContact CG2-CD1 4.16Å; I634-F734 HydrophobicContact CG2-CG 4.06Å; I634-A737 HydrophobicContact CD1-CB 3.73Å; I634-A737 WeakPolarHBondContact CD1-O 3.49Å; I634-A737 HydrophobicContact CG2-CB 4.41Å
635	L	96	Very high	94.3	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-63.7	-42.3	176.5	-79.1	163.2	0	0	0	113.2	E631 E633 L638 N639 L652 M664 F666 F734	E631-L635 HydrophobicContact CG-CD1 3.68Å; E631-L635 HydrophobicContact CG-CG 4.41Å; E631-L635 VanDerWaalsContact O-CB 3.31Å; E631-L635 WeakPolarHBondContact O-CB 3.32Å; E631-L635 WeakPolarHBondContact O-CD1 3.36Å; E631-L635 VanDerWaalsContact O-CG 3.26Å; E631-L635 WeakPolarHBondContact O-CG 3.34Å; E631-L635 PolarHBondContact O-N 2.91Å; E633-L635 VanDerWaalsContact C-N 3.31Å; E633-L635 PolarHBondContact O-N 2.67Å; L635-L638 PolarHBondContact O-N 2.79Å; L635-N639 WeakPolarHBondContact O-CB 3.38Å; L635-N639 PolarHBondContact O-N 2.8Å; L635-L652 HydrophobicContact CB-CB 4.07Å; L635-L652 HydrophobicContact CB-CD2 3.98Å; L635-L652 HydrophobicContact CD1-CB 4.46Å; L635-M664 HydrophobicContact CD1-SD 4.07Å; L635-F666 HydrophobicContact CD1-CE1 3.54Å; L635-F666 HydrophobicContact CD1-CZ 3.59Å; L635-F666 HydrophobicContact CD2-CE1 4.06Å; L635-F666 HydrophobicContact CG-CE1 4.44Å; L635-F734 HydrophobicContact CD2-CD2 3.59Å; L635-F734 HydrophobicContact CD2-CE2 3.76Å; L635-F734 HydrophobicContact CG-CD2 4.02Å
636	K	95.6	Very high	94.5	Very high	82 Å²	82	60.8 Å²	60.8	36%	0.357	30%	0.295	S	S	.	.	H	α-helix	trans	-59.7	-53.4	173.3	-72.3	165.2	-178.3	169.5	0	110.4	L632 E633 L638 N639 D640 L652	L632-K636 HydrophobicContact CG-CD 4.47Å; L632-K636 VanDerWaalsContact O-CG 3.3Å; L632-K636 WeakPolarHBondContact O-CG 3.32Å; L632-K636 PolarHBondContact O-N 3.07Å; L632-K636 VanDerWaalsContact O-N 3.07Å; E633-K636 PolarHBondContact O-N 2.96Å; K636-L638 VanDerWaalsContact C-N 3.28Å; K636-L638 PolarHBondContact O-N 2.9Å; K636-N639 WeakPolarHBondContact O-CB 3.49Å; K636-N639 PolarHBondContact O-N 3.2Å; K636-D640 VanDerWaalsContact O-CG 3.24Å; K636-D640 PolarHBondContact O-N 3.07Å; K636-L652 HydrophobicContact CG-CD2 4.19Å
637	K	95.6	Very high	94.7	Very high	94 Å²	94	58.4 Å²	58.4	41%	0.409	29%	0.285	S	S	.	.	H	α-helix	trans	-58.3	-35.3	179.8	-175	174.9	174.5	-173.2	0	113.2	E633 I634 A641 T708 I710	E633-K637 WeakPolarHBondContact O-CB 3.47Å; E633-K637 PolarHBondContact O-N 2.85Å; I634-K637 PolarHBondContact O-N 2.86Å; K637-A641 WeakPolarHBondContact O-CB 3.45Å; K637-A641 PolarHBondContact O-N 2.71Å; K637-T708 WeakPolarHBondContact CE-O 3.33Å; K637-T708 PolarHBondContact NZ-O 3.32Å; K637-I710 HydrophobicContact CD-CD1 4.15Å; K637-I710 HydrophobicContact CG-CD1 4.47Å
638	L	96	Very high	94.9	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-73	-42.9	173.4	-72.9	169.1	0	0	0	112.3	I634 L635 K636 A641 D642 L704 L705 T708 I710 F734	I634-L638 HydrophobicContact CG2-CD1 3.81Å; I634-L638 WeakPolarHBondContact O-CB 3.41Å; I634-L638 VanDerWaalsContact O-CG 3.24Å; I634-L638 WeakPolarHBondContact O-CG 3.33Å; I634-L638 PolarHBondContact O-N 2.96Å; L635-L638 PolarHBondContact O-N 2.79Å; K636-L638 VanDerWaalsContact C-N 3.28Å; K636-L638 PolarHBondContact O-N 2.9Å; L638-A641 PolarHBondContact O-N 3.09Å; L638-D642 PolarHBondContact O-N 3.16Å; L638-L704 HydrophobicContact CB-CD2 4.32Å; L638-L704 HydrophobicContact CD2-CD2 3.82Å; L638-L704 HydrophobicContact CD2-CG 3.76Å; L638-L705 HydrophobicContact CD1-CD2 4.11Å; L638-L705 HydrophobicContact CD2-CD2 4.02Å; L638-T708 HydrophobicContact CD2-CG2 4.14Å; L638-T708 WeakPolarHBondContact CD2-OG1 3.45Å; L638-I710 HydrophobicContact CD2-CD1 4.17Å; L638-I710 HydrophobicContact CG-CD1 4.07Å; L638-F734 HydrophobicContact CD1-CD1 4.21Å; L638-F734 HydrophobicContact CD1-CE1 3.83Å; L638-F734 HydrophobicContact CD1-CE2 4.29Å; L638-F734 HydrophobicContact CD1-CZ 3.87Å
639	N	95.9	Very high	95.1	Very high	26 Å²	26	58.1 Å²	58.1	14%	0.139	28%	0.281	C	S	.	.	H	α-helix	trans	-58.7	-51.2	176	-89	-8.8	0	0	0	111.8	L635 K636 A641 D642 R651 L652	L635-N639 WeakPolarHBondContact O-CB 3.38Å; L635-N639 PolarHBondContact O-N 2.8Å; K636-N639 WeakPolarHBondContact O-CB 3.49Å; K636-N639 PolarHBondContact O-N 3.2Å; N639-A641 PolarHBondContact O-N 3.32Å; N639-D642 CarbonylContact O-C 3.49Å; N639-D642 PolarHBondContact O-N 3.37Å; N639-D642 VanDerWaalsContact O-N 3.09Å; N639-R651 WeakPolarHBondContact OD1-CD 3.47Å; N639-R651 PolarHBondContact OD1-NH1 3.49Å; N639-L652 PolarHBondContact ND2-O 3.45Å
640	D	95.6	Very high	95.2	Very high	125 Å²	125	55.5 Å²	55.5	67%	0.668	27%	0.267	S	S	*	.	H	α-helix	trans	-65.7	-30.2	-177.1	-61.1	-28.2	0	0	0	111.8	K636 D642	K636-D640 VanDerWaalsContact O-CG 3.24Å; K636-D640 PolarHBondContact O-N 3.07Å; D640-D642 VanDerWaalsContact C-N 3.3Å; D640-D642 PolarHBondContact O-N 3.12Å
641	A	95.8	Very high	95.4	Very high	24 Å²	24	50.5 Å²	50.5	20%	0.198	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-9.5	176	0	0	0	0	0	114.5	K637 L638 N639 L704 K707 T708	K637-A641 WeakPolarHBondContact O-CB 3.45Å; K637-A641 PolarHBondContact O-N 2.71Å; L638-A641 PolarHBondContact O-N 3.09Å; N639-A641 PolarHBondContact O-N 3.32Å; A641-L704 HydrophobicContact CB-CD1 3.85Å; A641-K707 PolarHBondContact O-NZ 2.81Å; A641-T708 HydrophobicContact CB-CG2 3.44Å; A641-T708 VanDerWaalsContact CB-CG2 3.44Å
642	D	95.9	Very high	95.5	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.011	25%	0.25	C	S	.	.			trans	-144.1	73.6	174.8	-178.6	36.6	0	0	0	113	L638 N639 D640 E644 D645 R646 F647 R651 L704	L638-D642 PolarHBondContact O-N 3.16Å; N639-D642 CarbonylContact O-C 3.49Å; N639-D642 PolarHBondContact O-N 3.37Å; N639-D642 VanDerWaalsContact O-N 3.09Å; D640-D642 VanDerWaalsContact C-N 3.3Å; D640-D642 PolarHBondContact O-N 3.12Å; D642-E644 PolarHBondContact O-N 3.2Å; D642-D645 PolarHBondContact O-N 2.98Å; D642-D645 WeakPolarHBondContact OD2-CA 3.45Å; D642-R646 PolarHBondContact OD1-N 3.21Å; D642-R646 PolarHBondContact OD2-N 3.43Å; D642-F647 HydrophobicContact CB-CD2 3.87Å; D642-F647 VanDerWaalsContact CG-CD2 3.48Å; D642-F647 WeakPolarHBondContact OD1-CD2 3.4Å; D642-F647 PolarHBondContact OD2-N 2.83Å; D642-R651 PolarHBondContact O-NH1 2.85Å; D642-R651 PolarHBondContact O-NH2 3.2Å; D642-R651 IonicContact OD2-CZ 3.56Å; D642-R651 IonicContact OD2-NH2 3.5Å; D642-R651 PolarHBondContact OD2-NH2 3.5Å; D642-L704 HydrophobicContact CB-CD1 4.2Å; D642-L704 HydrophobicContact CB-CD2 3.96Å
643	P	93.6	Very high	95.5	Very high	117 Å²	117	56.9 Å²	56.9	76%	0.76	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-14.4	179.8	-22	35.2	0	0	0	114.9
644	E	93.5	Very high	95.5	Very high	125 Å²	125	54 Å²	54	58%	0.584	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-0.6	-179	-68.5	-178.3	-115.9	0	0	113.6	D642 R646	D642-E644 PolarHBondContact O-N 3.2Å; E644-R646 HydrophobicContact CB-CG 3.91Å; E644-R646 VanDerWaalsContact CD-NH2 3.27Å; E644-R646 PolarHBondContact O-N 2.77Å; E644-R646 IonicContact OE1-CZ 2.82Å; E644-R646 IonicContact OE1-NE 2.68Å; E644-R646 IonicContact OE1-NH1 2.95Å; E644-R646 PolarHBondContact OE1-NH1 3.27Å; E644-R646 IonicContact OE1-NH2 3.97Å; E644-R646 PolarHBondContact OE1-NH2 3.15Å; E644-R646 IonicContact OE2-CZ 3.23Å; E644-R646 IonicContact OE2-NE 2.8Å; E644-R646 IonicContact OE2-NH1 2.7Å; E644-R646 PolarHBondContact OE2-NH1 2.81Å; E644-R646 IonicContact OE2-NH2 3.19Å
645	D	94.6	Very high	95.5	Very high	60 Å²	60	56.3 Å²	56.3	32%	0.321	27%	0.267	S	S	.	.			trans	52.6	42.3	-176.6	-164.6	33.5	0	0	0	115.8	D642 R651 K730	D642-D645 PolarHBondContact O-N 2.98Å; D642-D645 WeakPolarHBondContact OD2-CA 3.45Å; D645-R651 VanDerWaalsContact CG-NE 3.32Å; D645-R651 IonicContact OD1-CZ 2.87Å; D645-R651 IonicContact OD1-NE 3.26Å; D645-R651 PolarHBondContact OD1-NE 3.42Å; D645-R651 IonicContact OD1-NH2 2.67Å; D645-R651 PolarHBondContact OD1-NH2 2.95Å; D645-K730 IonicContact OD1-NZ 3.53Å; D645-K730 PolarHBondContact OD1-NZ 3.49Å; D645-K730 IonicContact OD2-NZ 2.68Å; D645-K730 PolarHBondContact OD2-NZ 3.19Å
646	R	94.3	Very high	95.5	Very high	130 Å²	130	56.9 Å²	56.9	49%	0.491	27%	0.27	S	S	.	.			trans	-94.1	-11.4	-178.9	-62.6	-177.8	-59	-150.1	-12.9	114.2	D642 E644 H648	D642-R646 PolarHBondContact OD1-N 3.21Å; D642-R646 PolarHBondContact OD2-N 3.43Å; E644-R646 HydrophobicContact CB-CG 3.91Å; E644-R646 VanDerWaalsContact CD-NH2 3.27Å; E644-R646 PolarHBondContact O-N 2.77Å; E644-R646 IonicContact OE1-CZ 2.82Å; E644-R646 IonicContact OE1-NE 2.68Å; E644-R646 IonicContact OE1-NH1 2.95Å; E644-R646 PolarHBondContact OE1-NH1 3.27Å; E644-R646 IonicContact OE1-NH2 3.97Å; E644-R646 PolarHBondContact OE1-NH2 3.15Å; E644-R646 IonicContact OE2-CZ 3.23Å; E644-R646 IonicContact OE2-NE 2.8Å; E644-R646 IonicContact OE2-NH1 2.7Å; E644-R646 PolarHBondContact OE2-NH1 2.81Å; E644-R646 IonicContact OE2-NH2 3.19Å; R646-H648 PolarHBondContact O-CD2 2.65Å
647	F	95.2	Very high	95.5	Very high	39 Å²	39	58.3 Å²	58.3	17%	0.171	28%	0.276	C	S	.	.	S	Bend	trans	-108.4	14.5	-174.5	-65.8	-72.3	0	0	0	114.8	D642 C649 L700 A701 K703 L704	D642-F647 HydrophobicContact CB-CD2 3.87Å; D642-F647 VanDerWaalsContact CG-CD2 3.48Å; D642-F647 WeakPolarHBondContact OD1-CD2 3.4Å; D642-F647 PolarHBondContact OD2-N 2.83Å; F647-C649 VanDerWaalsContact C-N 3.29Å; F647-C649 PolarHBondContact O-N 2.79Å; F647-C649 VanDerWaalsContact O-N 3.12Å; F647-L700 HydrophobicContact CD1-CB 4.06Å; F647-L700 HydrophobicContact CD1-CD2 4.15Å; F647-L700 VanDerWaalsContact CD1-O 3.32Å; F647-L700 WeakPolarHBondContact CD1-O 3.43Å; F647-L700 HydrophobicContact CE1-CD2 4.18Å; F647-L700 CarbonylContact O-C 3.51Å; F647-A701 WeakPolarHBondContact O-CA 3.47Å; F647-A701 WeakPolarHBondContact O-CB 3.46Å; F647-A701 PolarHBondContact O-N 3.08Å; F647-K703 HydrophobicContact CE1-CD 4.46Å; F647-K703 HydrophobicContact CE1-CG 4.32Å; F647-L704 HydrophobicContact CB-CB 3.64Å; F647-L704 HydrophobicContact CB-CD2 3.91Å; F647-L704 HydrophobicContact CB-CG 4.26Å; F647-L704 HydrophobicContact CD1-CB 4.43Å; F647-L704 HydrophobicContact CD2-CB 4.4Å; F647-L704 HydrophobicContact CD2-CD1 4.2Å; F647-L704 HydrophobicContact CG-CB 3.94Å
648	H	96.6	Very high	95.3	Very high	28 Å²	28	55.2 Å²	55.2	13%	0.13	26%	0.263	C	S	.	.			trans	59.1	28.4	163.9	-62.5	-89.4	0	0	0	116.6	R646 Q697 A701 L729 K730 L731	R646-H648 PolarHBondContact O-CD2 2.65Å; H648-Q697 VanDerWaalsContact CE1-CG 3.46Å; H648-Q697 WeakPolarHBondContact CE1-CG 3.46Å; H648-Q697 PolarHBondContact CE1-OE1 2.95Å; H648-Q697 PolarHBondContact ND1-OE1 2.93Å; H648-A701 HydrophobicContact CB-CB 4.47Å; H648-L729 HydrophobicContact CB-CD1 4.26Å; H648-L729 PolarHBondContact ND1-O 3.2Å; H648-K730 CarbonylContact O-C 3.59Å; H648-K730 VanDerWaalsContact O-CA 3.32Å; H648-K730 WeakPolarHBondContact O-CA 3.48Å; H648-L731 PolarHBondContact O-N 2.98Å
649	C	96.9	Very high	95.1	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.007	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-91.8	150.2	164.6	-66.6	0	0	0	0	110.6	F647 R651 L704 F734	F647-C649 VanDerWaalsContact C-N 3.29Å; F647-C649 PolarHBondContact O-N 2.79Å; F647-C649 VanDerWaalsContact O-N 3.12Å; C649-R651 PolarHBondContact O-N 3.27Å; C649-L704 HydrophobicContact CB-CD2 4.39Å; C649-F734 HydrophobicContact CB-CZ 4.35Å
650	L	96	Very high	94.9	Very high	15 Å²	15	64.1 Å²	64.1	8%	0.079	30%	0.303	C	S	.	.			trans	-61.6	127.2	-179.6	-178.4	70	0	0	0	112.3	L652 F666 E667 L669 L731 C732	L650-L652 PolarHBondContact O-N 3.35Å; L650-F666 HydrophobicContact CD1-CB 4.49Å; L650-F666 HydrophobicContact CD1-CD1 4.47Å; L650-F666 HydrophobicContact CD2-CB 4.37Å; L650-F666 HydrophobicContact CD2-CD1 3.4Å; L650-F666 VanDerWaalsContact CD2-CD1 3.4Å; L650-F666 HydrophobicContact CD2-CD2 4.46Å; L650-F666 HydrophobicContact CD2-CE1 3.61Å; L650-F666 HydrophobicContact CD2-CG 3.85Å; L650-F666 HydrophobicContact CD2-CZ 4.24Å; L650-F666 HydrophobicContact CG-CD1 3.64Å; L650-F666 HydrophobicContact CG-CE1 4.13Å; L650-F666 HydrophobicContact CG-CG 4.3Å; L650-E667 HydrophobicContact CD1-CG 3.67Å; L650-L669 HydrophobicContact CD1-CD1 3.53Å; L650-L731 WeakPolarHBondContact CB-O 3.35Å; L650-L731 PolarHBondContact N-O 3.06Å; L650-C732 HydrophobicContact CB-CB 3.97Å; L650-C732 HydrophobicContact CD2-CB 3.73Å; L650-C732 HydrophobicContact CG-CB 4.34Å
651	R	95.9	Very high	94.8	Very high	28 Å²	28	58.2 Å²	58.2	11%	0.106	27%	0.271	C	S	.	.			trans	-79.2	106.5	178.9	-63.7	-69.2	141	-176.8	0.7	112	N639 D642 D645 C649 Y653 F666 E667	N639-R651 WeakPolarHBondContact OD1-CD 3.47Å; N639-R651 PolarHBondContact OD1-NH1 3.49Å; D642-R651 PolarHBondContact O-NH1 2.85Å; D642-R651 PolarHBondContact O-NH2 3.2Å; D642-R651 IonicContact OD2-CZ 3.56Å; D642-R651 IonicContact OD2-NH2 3.5Å; D642-R651 PolarHBondContact OD2-NH2 3.5Å; D645-R651 VanDerWaalsContact CG-NE 3.32Å; D645-R651 IonicContact OD1-CZ 2.87Å; D645-R651 IonicContact OD1-NE 3.26Å; D645-R651 PolarHBondContact OD1-NE 3.42Å; D645-R651 IonicContact OD1-NH2 2.67Å; D645-R651 PolarHBondContact OD1-NH2 2.95Å; C649-R651 PolarHBondContact O-N 3.27Å; R651-Y653 HydrophobicContact CB-CD1 4.48Å; R651-Y653 HydrophobicContact CB-CE1 4.2Å; R651-F666 WeakPolarHBondContact O-CA 3.5Å; R651-E667 HydrophobicContact CB-CB 4.22Å; R651-E667 HydrophobicContact CB-CG 4.06Å; R651-E667 WeakPolarHBondContact CB-OE1 3.38Å; R651-E667 WeakPolarHBondContact CG-OE1 3.48Å; R651-E667 PolarHBondContact N-OE1 3.17Å; R651-E667 PolarHBondContact O-N 3.02Å; R651-E667 VanDerWaalsContact O-N 3.09Å
652	L	96.6	Very high	94.7	Very high	13 Å²	13	57.1 Å²	57.1	7%	0.068	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	126.2	158.9	179.7	74.4	0	0	0	109.2	L632 L635 K636 N639 L650 R654 M664 F666	L632-L652 HydrophobicContact CD1-CD1 4.45Å; L632-L652 HydrophobicContact CD1-CD2 3.71Å; L635-L652 HydrophobicContact CB-CB 4.07Å; L635-L652 HydrophobicContact CB-CD2 3.98Å; L635-L652 HydrophobicContact CD1-CB 4.46Å; K636-L652 HydrophobicContact CG-CD2 4.19Å; N639-L652 PolarHBondContact ND2-O 3.45Å; L650-L652 PolarHBondContact O-N 3.35Å; L652-R654 WeakPolarHBondContact CD1-O 3.46Å; L652-M664 HydrophobicContact CD1-CB 3.84Å; L652-M664 HydrophobicContact CD1-CG 4.07Å; L652-M664 HydrophobicContact CD1-SD 4.35Å; L652-F666 HydrophobicContact CB-CD1 4.23Å; L652-F666 HydrophobicContact CB-CE1 3.98Å; L652-F666 HydrophobicContact CD1-CD1 4.28Å; L652-F666 HydrophobicContact CD1-CE1 3.84Å; L652-F666 HydrophobicContact CD1-CZ 4.04Å
653	Y	95	Very high	94.8	Very high	131 Å²	131	57.1 Å²	57.1	51%	0.514	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-41.9	174.1	-68.2	-21.2	0	0	0	112.5	V613 R651 V665 E667	V613-Y653 HydrophobicContact CG1-CD2 4.14Å; V613-Y653 HydrophobicContact CG1-CE2 4.17Å; R651-Y653 HydrophobicContact CB-CD1 4.48Å; R651-Y653 HydrophobicContact CB-CE1 4.2Å; Y653-V665 HydrophobicContact CD2-CG1 4.4Å; Y653-V665 PolarHBondContact N-O 2.88Å; Y653-E667 HydrophobicContact CE1-CB 4.15Å; Y653-E667 HydrophobicContact CE2-CB 4.46Å; Y653-E667 WeakPolarHBondContact OH-CB 3.1Å
654	R	95.1	Very high	94.9	Very high	71 Å²	71	51.5 Å²	51.5	27%	0.268	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-172	179.9	171.7	57.4	176.1	-83.6	-127.5	5.6	110.7	D583 Y586 L652 V665	D583-R654 IonicContact OD1-CZ 3.02Å; D583-R654 IonicContact OD1-NH1 3.74Å; D583-R654 IonicContact OD1-NH2 3.4Å; D583-R654 PolarHBondContact OD1-NH2 3.18Å; D583-R654 IonicContact OD2-CZ 3.86Å; D583-R654 VanDerWaalsContact OD2-CZ 3.23Å; D583-R654 IonicContact OD2-NH1 2.75Å; D583-R654 PolarHBondContact OD2-NH1 2.96Å; D583-R654 IonicContact OD2-NH2 3.51Å; D583-R654 PolarHBondContact OD2-NH2 3.47Å; Y586-R654 WeakPolarHBondContact OH-CD 3.29Å; Y586-R654 PolarHBondContact OH-NH1 2.79Å; Y586-R654 VanDerWaalsContact OH-NH1 3.09Å; L652-R654 WeakPolarHBondContact CD1-O 3.46Å; R654-V665 HydrophobicContact CG-CB 4.3Å; R654-V665 HydrophobicContact CG-CG2 4.28Å; R654-V665 PolarHBondContact O-N 2.77Å
655	H	96.4	Very high	95	Very high	69 Å²	69	45.6 Å²	45.6	32%	0.319	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	166.8	169.5	62	-55.3	0	0	0	110.1	L632 L662 C663 M664	L632-H655 HydrophobicContact CD1-CB 3.61Å; H655-L662 HydrophobicContact CB-CD1 4.3Å; H655-C663 CarbonylContact C-O 3.18Å; H655-C663 WeakPolarHBondContact CA-O 3.48Å; H655-C663 WeakPolarHBondContact CB-O 3.46Å; H655-M664 HydrophobicContact CB-CG 4.33Å
656	F	96	Very high	95.1	Very high	12 Å²	12	43.2 Å²	43.2	5%	0.053	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	173.1	168.9	59.8	-92.9	0	0	0	109.2	L582 D583 Y586 I615 H658 C663 V665	L582-F656 HydrophobicContact CB-CE2 3.93Å; L582-F656 HydrophobicContact CB-CZ 3.76Å; L582-F656 HydrophobicContact CD1-CZ 4.41Å; D583-F656 HydrophobicContact CB-CB 4.43Å; D583-F656 HydrophobicContact CB-CD1 3.95Å; D583-F656 HydrophobicContact CB-CD2 3.72Å; D583-F656 HydrophobicContact CB-CE1 4.04Å; D583-F656 HydrophobicContact CB-CE2 3.82Å; D583-F656 HydrophobicContact CB-CG 3.79Å; D583-F656 HydrophobicContact CB-CZ 3.98Å; Y586-F656 HydrophobicContact CD2-CD1 4.37Å; Y586-F656 AromaticContact CD2-CE1 3.57Å; Y586-F656 HydrophobicContact CD2-CE1 3.57Å; Y586-F656 HydrophobicContact CD2-CZ 4Å; Y586-F656 HydrophobicContact CE2-CD1 4.01Å; Y586-F656 AromaticContact CE2-CE1 3.59Å; Y586-F656 HydrophobicContact CE2-CE1 3.59Å; Y586-F656 HydrophobicContact CE2-CZ 4.45Å; I615-F656 HydrophobicContact CG2-CZ 4.33Å; F656-H658 HydrophobicContact CD2-CB 4.15Å; F656-H658 HydrophobicContact CE2-CB 3.89Å; F656-C663 HydrophobicContact CD1-CB 4.1Å; F656-C663 HydrophobicContact CD2-CB 3.59Å; F656-C663 HydrophobicContact CE1-CB 3.86Å; F656-C663 HydrophobicContact CE2-CB 3.31Å; F656-C663 HydrophobicContact CG-CB 3.98Å; F656-C663 HydrophobicContact CZ-CB 3.45Å; F656-C663 VanDerWaalsContact CZ-CB 3.45Å; F656-C663 PolarHBondContact N-O 3.06Å; F656-C663 WeakPolarHBondContact O-CB 3.46Å; F656-C663 PolarHBondContact O-N 3.14Å; F656-V665 HydrophobicContact CD1-CG2 3.92Å; F656-V665 HydrophobicContact CE1-CG2 3.51Å
657	F	94.8	Very high	95.1	Very high	112 Å²	112	38.1 Å²	38.1	49%	0.491	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	139.9	170.4	-71.4	-83.4	0	0	0	110	H625 H661 L662	H625-F657 AromaticContact NE2-CE1 3.44Å; H625-F657 WeakPolarHBondContact NE2-CE1 3.49Å; H625-F657 AromaticContact NE2-CZ 3.92Å; F657-H661 WeakPolarHBondContact CA-O 3.38Å; F657-L662 HydrophobicContact CD1-CB 4.3Å; F657-L662 HydrophobicContact CE1-CB 3.83Å; F657-L662 HydrophobicContact CE1-CD1 3.93Å; F657-L662 HydrophobicContact CE1-CG 4.44Å; F657-L662 HydrophobicContact CE2-CD1 4.45Å; F657-L662 HydrophobicContact CZ-CD1 3.89Å
658	H	92.6	Very high	95	Very high	29 Å²	29	39.2 Å²	39.2	13%	0.134	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	113.5	176.9	-175.2	90.3	0	0	0	108.8	Y574 E580 L582 F656 Q660 H661	Y574-H658 AromaticContact CE1-CD2 4Å; Y574-H658 AromaticContact CZ-CD2 3.75Å; Y574-H658 AromaticContact CZ-NE2 3.78Å; Y574-H658 PolarHBondContact OH-NE2 3.11Å; E580-H658 IonicContact OE1-CE1 3.93Å; E580-H658 IonicContact OE1-NE2 2.98Å; E580-H658 PolarHBondContact OE1-NE2 3.23Å; L582-H658 WeakPolarHBondContact CD2-NE2 3.04Å; F656-H658 HydrophobicContact CD2-CB 4.15Å; F656-H658 HydrophobicContact CE2-CB 3.89Å; H658-Q660 PolarHBondContact O-N 3.48Å; H658-H661 PolarHBondContact N-O 3.01Å; H658-H661 WeakPolarHBondContact O-CB 3.44Å; H658-H661 PolarHBondContact O-N 3.09Å; H658-H661 VanDerWaalsContact O-N 3.15Å
659	K	90.7	Very high	94.9	Very high	73 Å²	73	39.2 Å²	39.2	32%	0.317	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	60.3	-178.7	-61.4	164.2	-178.3	172.3	0	111.1	W567 Y574 E580 H661	W567-K659 HydrophobicContact CB-CD 4.32Å; W567-K659 HydrophobicContact CD2-CD 3.87Å; W567-K659 VanDerWaalsContact CE2-NZ 3.29Å; W567-K659 HydrophobicContact CE3-CD 4.42Å; W567-K659 HydrophobicContact CG-CD 3.77Å; W567-K659 VanDerWaalsContact CH2-NZ 3.31Å; W567-K659 VanDerWaalsContact CZ2-NZ 3.35Å; Y574-K659 HydrophobicContact CE2-CB 4.19Å; Y574-K659 HydrophobicContact CE2-CD 3.53Å; Y574-K659 HydrophobicContact CE2-CG 4.48Å; Y574-K659 WeakPolarHBondContact OH-CD 3.47Å; Y574-K659 PolarHBondContact OH-NZ 3.09Å; E580-K659 IonicContact OE1-NZ 3.67Å; E580-K659 PolarHBondContact OE1-NZ 3.02Å; K659-H661 PolarHBondContact O-CD2 3.25Å; K659-H661 PolarHBondContact O-N 3.24Å
660	Q	90.9	Very high	94.6	Very high	143 Å²	143	40 Å²	40	67%	0.668	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.6	-23	-175.4	-58.5	176.4	-3.4	0	0	116.6	N620 H658	N620-Q660 PolarHBondContact ND2-OE1 3.29Å; H658-Q660 PolarHBondContact O-N 3.48Å
661	H	93.9	Very high	94.4	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	136.5	176.8	-60.6	-83.4	0	0	0	113.6	D568 G572 Y574 I617 I618 N620 F657 H658 K659	D568-H661 IonicContact OD1-NE2 3.23Å; D568-H661 PolarHBondContact OD1-NE2 2.93Å; D568-H661 IonicContact OD2-CE1 2.8Å; D568-H661 IonicContact OD2-NE2 3.78Å; G572-H661 PolarHBondContact O-CE1 3.4Å; Y574-H661 VanDerWaalsContact CB-NE2 3.34Å; Y574-H661 WeakPolarHBondContact CB-NE2 3.22Å; Y574-H661 AromaticContact CD2-CD2 3.39Å; Y574-H661 WeakPolarHBondContact CD2-CD2 3.44Å; Y574-H661 AromaticContact CD2-NE2 3.43Å; Y574-H661 WeakPolarHBondContact CD2-NE2 3.32Å; Y574-H661 AromaticContact CG-CD2 3.71Å; Y574-H661 AromaticContact CG-NE2 3.79Å; Y574-H661 PolarHBondContact N-CE1 2.78Å; I617-H661 HydrophobicContact CG2-CB 3.65Å; I618-H661 PolarHBondContact O-ND1 3.33Å; N620-H661 VanDerWaalsContact CB-CE1 3.5Å; N620-H661 WeakPolarHBondContact CB-CE1 3.39Å; N620-H661 PolarHBondContact N-CE1 2.82Å; N620-H661 PolarHBondContact N-ND1 2.9Å; F657-H661 WeakPolarHBondContact CA-O 3.38Å; H658-H661 PolarHBondContact N-O 3.01Å; H658-H661 WeakPolarHBondContact O-CB 3.44Å; H658-H661 PolarHBondContact O-N 3.09Å; H658-H661 VanDerWaalsContact O-N 3.15Å; K659-H661 PolarHBondContact O-CD2 3.25Å; K659-H661 PolarHBondContact O-N 3.24Å
662	L	95.2	Very high	94.3	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	120.9	164.8	173.9	60.8	0	0	0	109.8	I618 L629 H655 F657	I618-L662 HydrophobicContact CB-CB 4.23Å; I618-L662 HydrophobicContact CG1-CB 4.22Å; I618-L662 HydrophobicContact CG1-CD2 4.33Å; I618-L662 HydrophobicContact CG1-CG 4.28Å; I618-L662 PolarHBondContact N-O 3.27Å; L629-L662 HydrophobicContact CD2-CD2 4.1Å; L629-L662 HydrophobicContact CG-CD2 4.37Å; H655-L662 HydrophobicContact CB-CD1 4.3Å; F657-L662 HydrophobicContact CD1-CB 4.3Å; F657-L662 HydrophobicContact CE1-CB 3.83Å; F657-L662 HydrophobicContact CE1-CD1 3.93Å; F657-L662 HydrophobicContact CE1-CG 4.44Å; F657-L662 HydrophobicContact CE2-CD1 4.45Å; F657-L662 HydrophobicContact CZ-CD1 3.89Å
663	C	96.3	Very high	94.2	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.007	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	120.5	179.4	-67.9	0	0	0	0	110.6	I615 K616 H655 F656	I615-C663 HydrophobicContact CG2-CB 4.32Å; K616-C663 WeakPolarHBondContact O-CA 3.27Å; H655-C663 CarbonylContact C-O 3.18Å; H655-C663 WeakPolarHBondContact CA-O 3.48Å; H655-C663 WeakPolarHBondContact CB-O 3.46Å; F656-C663 HydrophobicContact CD1-CB 4.1Å; F656-C663 HydrophobicContact CD2-CB 3.59Å; F656-C663 HydrophobicContact CE1-CB 3.86Å; F656-C663 HydrophobicContact CE2-CB 3.31Å; F656-C663 HydrophobicContact CG-CB 3.98Å; F656-C663 HydrophobicContact CZ-CB 3.45Å; F656-C663 VanDerWaalsContact CZ-CB 3.45Å; F656-C663 PolarHBondContact N-O 3.06Å; F656-C663 WeakPolarHBondContact O-CB 3.46Å; F656-C663 PolarHBondContact O-N 3.14Å
664	M	96.4	Very high	94.1	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	128.3	175.7	-73	-174.4	-86.2	0	0	111.1	I615 K616 I618 E631 L632 L635 L652 H655 F666	I615-M664 CarbonylContact C-O 3.59Å; I615-M664 WeakPolarHBondContact CA-O 3.42Å; K616-M664 HydrophobicContact CD-CE 4.42Å; K616-M664 PolarHBondContact N-O 2.94Å; K616-M664 PolarHBondContact O-N 2.86Å; I618-M664 HydrophobicContact CD1-CE 3.85Å; I618-M664 HydrophobicContact CG1-CE 4.03Å; E631-M664 HydrophobicContact CB-CE 4.45Å; E631-M664 HydrophobicContact CG-CE 4.06Å; E631-M664 HydrophobicContact CG-SD 4.39Å; E631-M664 WeakPolarHBondContact OE2-CE 3.41Å; L632-M664 HydrophobicContact CB-SD 4.02Å; L632-M664 HydrophobicContact CD1-CG 3.96Å; L632-M664 HydrophobicContact CD1-SD 3.9Å; L635-M664 HydrophobicContact CD1-SD 4.07Å; L652-M664 HydrophobicContact CD1-CB 3.84Å; L652-M664 HydrophobicContact CD1-CG 4.07Å; L652-M664 HydrophobicContact CD1-SD 4.35Å; H655-M664 HydrophobicContact CB-CG 4.33Å; M664-F666 HydrophobicContact CB-CD2 4.31Å; M664-F666 HydrophobicContact CB-CE2 3.48Å; M664-F666 VanDerWaalsContact CB-CE2 3.48Å; M664-F666 HydrophobicContact CB-CZ 3.79Å; M664-F666 WeakPolarHBondContact O-CD2 3.42Å; M664-F666 HydrophobicContact SD-CZ 4.2Å
665	V	96.3	Very high	94	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	126.9	-177.3	-172.6	0	0	0	0	109.8	Y586 V613 A614 I615 Y653 R654 F656	Y586-V665 HydrophobicContact CE1-CG1 4.05Å; Y586-V665 HydrophobicContact CE2-CG2 3.95Å; V613-V665 HydrophobicContact CB-CG1 3.86Å; V613-V665 HydrophobicContact CG1-CG1 3.96Å; V613-V665 HydrophobicContact CG2-CG1 4.13Å; A614-V665 WeakPolarHBondContact O-CA 3.26Å; I615-V665 HydrophobicContact CG1-CG2 4.46Å; Y653-V665 HydrophobicContact CD2-CG1 4.4Å; Y653-V665 PolarHBondContact N-O 2.88Å; R654-V665 HydrophobicContact CG-CB 4.3Å; R654-V665 HydrophobicContact CG-CG2 4.28Å; R654-V665 PolarHBondContact O-N 2.77Å; F656-V665 HydrophobicContact CD1-CG2 3.92Å; F656-V665 HydrophobicContact CE1-CG2 3.51Å
666	F	96.1	Very high	93.8	Very high	10 Å²	10	32.9 Å²	32.9	4%	0.044	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	163	-172.2	-66.1	-77.1	0	0	0	113.3	A614 K616 L635 L650 R651 L652 M664	A614-F666 HydrophobicContact CB-CB 4.28Å; A614-F666 PolarHBondContact N-O 3.5Å; A614-F666 VanDerWaalsContact N-O 3.12Å; A614-F666 PolarHBondContact O-N 3.26Å; K616-F666 HydrophobicContact CB-CD2 4.29Å; K616-F666 HydrophobicContact CB-CE2 3.75Å; K616-F666 HydrophobicContact CD-CE2 4.39Å; L635-F666 HydrophobicContact CD1-CE1 3.54Å; L635-F666 HydrophobicContact CD1-CZ 3.59Å; L635-F666 HydrophobicContact CD2-CE1 4.06Å; L635-F666 HydrophobicContact CG-CE1 4.44Å; L650-F666 HydrophobicContact CD1-CB 4.49Å; L650-F666 HydrophobicContact CD1-CD1 4.47Å; L650-F666 HydrophobicContact CD2-CB 4.37Å; L650-F666 HydrophobicContact CD2-CD1 3.4Å; L650-F666 VanDerWaalsContact CD2-CD1 3.4Å; L650-F666 HydrophobicContact CD2-CD2 4.46Å; L650-F666 HydrophobicContact CD2-CE1 3.61Å; L650-F666 HydrophobicContact CD2-CG 3.85Å; L650-F666 HydrophobicContact CD2-CZ 4.24Å; L650-F666 HydrophobicContact CG-CD1 3.64Å; L650-F666 HydrophobicContact CG-CE1 4.13Å; L650-F666 HydrophobicContact CG-CG 4.3Å; R651-F666 WeakPolarHBondContact O-CA 3.5Å; L652-F666 HydrophobicContact CB-CD1 4.23Å; L652-F666 HydrophobicContact CB-CE1 3.98Å; L652-F666 HydrophobicContact CD1-CD1 4.28Å; L652-F666 HydrophobicContact CD1-CE1 3.84Å; L652-F666 HydrophobicContact CD1-CZ 4.04Å; M664-F666 HydrophobicContact CB-CD2 4.31Å; M664-F666 HydrophobicContact CB-CE2 3.48Å; M664-F666 VanDerWaalsContact CB-CE2 3.48Å; M664-F666 HydrophobicContact CB-CZ 3.79Å; M664-F666 WeakPolarHBondContact O-CD2 3.42Å; M664-F666 HydrophobicContact SD-CZ 4.2Å
667	E	94.9	Very high	93.6	Very high	23 Å²	23	33 Å²	33	11%	0.107	16%	0.161	C	C	.	.			trans	-53.8	141.7	166	63.5	179.9	134.4	0	0	112.3	L650 R651 Y653 L669 K730	L650-E667 HydrophobicContact CD1-CG 3.67Å; R651-E667 HydrophobicContact CB-CB 4.22Å; R651-E667 HydrophobicContact CB-CG 4.06Å; R651-E667 WeakPolarHBondContact CB-OE1 3.38Å; R651-E667 WeakPolarHBondContact CG-OE1 3.48Å; R651-E667 PolarHBondContact N-OE1 3.17Å; R651-E667 PolarHBondContact O-N 3.02Å; R651-E667 VanDerWaalsContact O-N 3.09Å; Y653-E667 HydrophobicContact CE1-CB 4.15Å; Y653-E667 HydrophobicContact CE2-CB 4.46Å; Y653-E667 WeakPolarHBondContact OH-CB 3.1Å; E667-L669 HydrophobicContact CG-CD1 4.29Å; E667-L669 HydrophobicContact CG-CG 4.21Å; E667-L669 PolarHBondContact O-N 2.96Å; E667-K730 WeakPolarHBondContact OE1-CE 3.44Å; E667-K730 IonicContact OE1-NZ 2.7Å; E667-K730 PolarHBondContact OE1-NZ 3.39Å; E667-K730 WeakPolarHBondContact OE2-CE 3.39Å; E667-K730 IonicContact OE2-NZ 2.78Å; E667-K730 PolarHBondContact OE2-NZ 3.46Å; E667-K730 VanDerWaalsContact OE2-NZ 3.12Å
668	P	93.3	Very high	93.5	Very high	62 Å²	62	34.8 Å²	34.8	40%	0.403	17%	0.169	S	C	.	.			trans	-75.1	121.7	178	31.3	-35.3	0	0	0	110.9	N612	N612-P668 HydrophobicContact CB-CB 4.02Å; N612-P668 HydrophobicContact CB-CG 4.28Å; N612-P668 WeakPolarHBondContact O-CD 3.46Å; N612-P668 VanDerWaalsContact O-CG 3.29Å; N612-P668 WeakPolarHBondContact O-CG 3.42Å
669	L	93.8	Very high	93.3	Very high	27 Å²	27	39.9 Å²	39.9	14%	0.141	19%	0.191	C	C	.	.			trans	-123.7	156.1	174.7	-62.3	172.5	0	0	0	110.7	L650 E667 L721 N723 K730	L650-L669 HydrophobicContact CD1-CD1 3.53Å; E667-L669 HydrophobicContact CG-CD1 4.29Å; E667-L669 HydrophobicContact CG-CG 4.21Å; E667-L669 PolarHBondContact O-N 2.96Å; L669-L721 HydrophobicContact CB-CB 4.05Å; L669-L721 HydrophobicContact CB-CD1 4.37Å; L669-L721 HydrophobicContact CD1-CB 3.53Å; L669-L721 HydrophobicContact CD1-CD1 3.85Å; L669-L721 HydrophobicContact CD1-CG 4.34Å; L669-L721 HydrophobicContact CG-CB 4.41Å; L669-N723 HydrophobicContact CD2-CB 4.44Å; L669-K730 HydrophobicContact CD1-CB 3.69Å; L669-K730 HydrophobicContact CD1-CG 3.71Å; L669-K730 HydrophobicContact CD2-CG 4.18Å
670	A	91.1	Very high	93.2	Very high	19 Å²	19	42.9 Å²	42.9	16%	0.157	20%	0.201	C	C	.	.			trans	-83.9	-50.4	-163.6	0	0	0	0	0	113.3	R602 V722 E724	R602-A670 PolarHBondContact NH2-O 3.11Å; A670-V722 PolarHBondContact N-O 2.87Å; A670-E724 HydrophobicContact CB-CB 4.47Å; A670-E724 HydrophobicContact CB-CG 4.04Å
671	M	91.4	Very high	92.9	Very high	31 Å²	31	37.3 Å²	37.3	15%	0.153	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	167	-175.6	67.3	-160	84.4	0	0	111.3	E675 V676 K679 L721 V722	M671-E675 HydrophobicContact CB-CB 4.17Å; M671-E675 WeakPolarHBondContact CB-OE2 3.43Å; M671-E675 HydrophobicContact CG-CB 4.49Å; M671-V676 HydrophobicContact CG-CG2 3.77Å; M671-V676 HydrophobicContact SD-CG2 3.82Å; M671-K679 HydrophobicContact SD-CD 4.08Å; M671-K679 PolarHBondContact SD-NZ 3.18Å; M671-L721 WeakPolarHBondContact O-CA 3.2Å; M671-V722 HydrophobicContact CG-CG2 3.84Å; M671-V722 WeakPolarHBondContact O-CG2 3.36Å; M671-V722 PolarHBondContact O-N 2.9Å
672	N	93.8	Very high	92.4	Very high	30 Å²	30	46.7 Å²	46.7	16%	0.16	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	160.1	170.8	52.3	60.9	0	0	0	112.3	R674 E675 V676 D718 I720 L721	N672-R674 PolarHBondContact O-N 3.17Å; N672-R674 WeakPolarHBondContact OD1-CB 3.46Å; N672-R674 PolarHBondContact OD1-N 2.96Å; N672-E675 PolarHBondContact ND2-OE1 3.12Å; N672-E675 PolarHBondContact O-N 3.16Å; N672-E675 VanDerWaalsContact O-N 3.11Å; N672-E675 WeakPolarHBondContact OD1-CB 3.5Å; N672-E675 WeakPolarHBondContact OD1-CG 3.4Å; N672-E675 PolarHBondContact OD1-N 3.1Å; N672-E675 PolarHBondContact OD1-OE1 3.18Å; N672-V676 PolarHBondContact O-N 3.14Å; N672-V676 VanDerWaalsContact O-N 3.14Å; N672-D718 WeakPolarHBondContact CB-O 3.19Å; N672-I720 CarbonylContact C-O 3.45Å; N672-I720 VanDerWaalsContact CA-O 3.29Å; N672-I720 WeakPolarHBondContact CA-O 3.45Å; N672-L721 HydrophobicContact CB-CD2 4.06Å
673	L	94.1	Very high	91.9	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-64.9	-23.5	178.4	-71	178.9	0	0	0	113.1	V676 L677 Y694 P717 I720 V722 L781	L673-V676 HydrophobicContact CD2-CB 4.43Å; L673-V676 HydrophobicContact CD2-CG2 4.18Å; L673-V676 PolarHBondContact O-N 3.03Å; L673-L677 WeakPolarHBondContact O-CG 3.42Å; L673-L677 PolarHBondContact O-N 2.66Å; L673-Y694 HydrophobicContact CD1-CD2 4.36Å; L673-Y694 HydrophobicContact CD2-CD2 4.06Å; L673-Y694 HydrophobicContact CD2-CE2 3.5Å; L673-P717 CarbonylContact C-O 3.58Å; L673-P717 WeakPolarHBondContact CA-O 3.46Å; L673-P717 HydrophobicContact CB-CB 4.12Å; L673-P717 WeakPolarHBondContact CB-O 3.03Å; L673-P717 PolarHBondContact N-O 3.42Å; L673-I720 HydrophobicContact CD1-CB 3.82Å; L673-I720 HydrophobicContact CD1-CD1 4.37Å; L673-I720 HydrophobicContact CD1-CG2 3.44Å; L673-I720 VanDerWaalsContact CD1-CG2 3.44Å; L673-I720 HydrophobicContact CG-CB 4.23Å; L673-I720 HydrophobicContact CG-CG2 4.01Å; L673-I720 PolarHBondContact N-O 3.03Å; L673-V722 HydrophobicContact CD2-CG1 3.47Å; L673-V722 VanDerWaalsContact CD2-CG1 3.47Å; L673-V722 HydrophobicContact CG-CG1 4.15Å; L673-L781 HydrophobicContact CB-CD2 3.95Å; L673-L781 HydrophobicContact CD1-CD1 4Å; L673-L781 HydrophobicContact CD1-CD2 3.77Å; L673-L781 HydrophobicContact CD2-CD2 4.27Å; L673-L781 HydrophobicContact CG-CD2 4.23Å
674	R	93.2	Very high	91.5	Very high	41 Å²	41	55.3 Å²	55.3	16%	0.155	27%	0.271	C	S	.	.	H	α-helix	trans	-59.1	-46.2	169.3	176.8	69.9	61.1	-151.9	-6.8	111.9	N672 L677 K678 P717 D718 Y754 E780	N672-R674 PolarHBondContact O-N 3.17Å; N672-R674 WeakPolarHBondContact OD1-CB 3.46Å; N672-R674 PolarHBondContact OD1-N 2.96Å; R674-L677 PolarHBondContact O-N 3.4Å; R674-K678 HydrophobicContact CG-CD 4.44Å; R674-K678 WeakPolarHBondContact O-CG 3.07Å; R674-K678 PolarHBondContact O-N 3.14Å; R674-P717 HydrophobicContact CB-CB 4.39Å; R674-P717 PolarHBondContact N-O 3.07Å; R674-D718 HydrophobicContact CB-CB 4.41Å; R674-D718 VanDerWaalsContact CB-OD1 3.28Å; R674-D718 WeakPolarHBondContact CB-OD1 3.33Å; R674-D718 WeakPolarHBondContact CD-OD1 3.46Å; R674-D718 WeakPolarHBondContact CG-OD1 3.41Å; R674-D718 IonicContact CZ-OD1 2.91Å; R674-D718 IonicContact CZ-OD2 2.7Å; R674-D718 IonicContact NE-OD1 3.27Å; R674-D718 PolarHBondContact NE-OD1 2.85Å; R674-D718 IonicContact NE-OD2 2.88Å; R674-D718 PolarHBondContact NE-OD2 3.29Å; R674-D718 IonicContact NH2-OD1 2.8Å; R674-D718 IonicContact NH2-OD2 3.52Å; R674-D718 PolarHBondContact NH2-OD2 3.07Å; R674-Y754 PolarHBondContact NH2-OH 2.82Å; R674-E780 IonicContact CZ-OE1 2.78Å; R674-E780 IonicContact NH1-OE1 2.94Å; R674-E780 PolarHBondContact NH1-OE1 3.14Å; R674-E780 IonicContact NH2-OE1 2.67Å; R674-E780 IonicContact NH2-OE2 3.12Å
675	E	92.1	Very high	91.2	Very high	68 Å²	68	55.4 Å²	55.4	32%	0.318	27%	0.272	S	S	.	.	H	α-helix	trans	-68.8	-37.4	176	-79.3	170.3	-125.8	0	0	112.6	M671 N672 K678 K679	M671-E675 HydrophobicContact CB-CB 4.17Å; M671-E675 WeakPolarHBondContact CB-OE2 3.43Å; M671-E675 HydrophobicContact CG-CB 4.49Å; N672-E675 PolarHBondContact ND2-OE1 3.12Å; N672-E675 PolarHBondContact O-N 3.16Å; N672-E675 VanDerWaalsContact O-N 3.11Å; N672-E675 WeakPolarHBondContact OD1-CB 3.5Å; N672-E675 WeakPolarHBondContact OD1-CG 3.4Å; N672-E675 PolarHBondContact OD1-N 3.1Å; N672-E675 PolarHBondContact OD1-OE1 3.18Å; E675-K678 PolarHBondContact O-N 2.87Å; E675-K679 WeakPolarHBondContact O-CG 3.45Å; E675-K679 PolarHBondContact O-N 3Å
676	V	92.2	Very high	91.1	Very high	6 Å²	6	55.7 Å²	55.7	4%	0.036	27%	0.274	C	S	.	.	H	α-helix	trans	-57.4	-52.1	171.9	-176.6	0	0	0	0	109.4	M671 N672 L673 K678 K679 Y680 L686 V722	M671-V676 HydrophobicContact CG-CG2 3.77Å; M671-V676 HydrophobicContact SD-CG2 3.82Å; N672-V676 PolarHBondContact O-N 3.14Å; N672-V676 VanDerWaalsContact O-N 3.14Å; L673-V676 HydrophobicContact CD2-CB 4.43Å; L673-V676 HydrophobicContact CD2-CG2 4.18Å; L673-V676 PolarHBondContact O-N 3.03Å; V676-K678 VanDerWaalsContact C-N 3.34Å; V676-K678 PolarHBondContact O-N 3.32Å; V676-K679 WeakPolarHBondContact O-CB 2.95Å; V676-K679 PolarHBondContact O-N 3.46Å; V676-Y680 HydrophobicContact CG1-CD2 3.89Å; V676-Y680 HydrophobicContact CG1-CE2 3.7Å; V676-Y680 WeakPolarHBondContact O-CD2 3.25Å; V676-Y680 PolarHBondContact O-N 3.37Å; V676-Y680 VanDerWaalsContact O-N 3.1Å; V676-L686 HydrophobicContact CG1-CD2 3.93Å; V676-V722 HydrophobicContact CG2-CG2 3.79Å
677	L	92.6	Very high	90.9	Very high	14 Å²	14	59.8 Å²	59.8	7%	0.073	29%	0.293	C	S	.	.	H	α-helix	trans	-59	-40.7	177.7	-74.9	173.2	0	0	0	113	L673 R674 K679 Y680 G681 L686 E780 L781	L673-L677 WeakPolarHBondContact O-CG 3.42Å; L673-L677 PolarHBondContact O-N 2.66Å; R674-L677 PolarHBondContact O-N 3.4Å; L677-K679 VanDerWaalsContact C-N 3.27Å; L677-K679 PolarHBondContact O-N 3.26Å; L677-Y680 PolarHBondContact O-N 2.94Å; L677-G681 PolarHBondContact O-N 2.78Å; L677-G681 VanDerWaalsContact O-N 3.17Å; L677-L686 HydrophobicContact CD2-CD2 4.27Å; L677-L686 HydrophobicContact CD2-CG 4.01Å; L677-E780 HydrophobicContact CD1-CG 4.06Å; L677-L781 HydrophobicContact CD1-CD2 4.19Å; L677-L781 HydrophobicContact CG-CD2 4.4Å
678	K	91.6	Very high	90.9	Very high	150 Å²	150	58.7 Å²	58.7	65%	0.652	29%	0.288	S	S	*	.	H	α-helix	trans	-58.8	-37	173.5	-74.5	169.7	179.8	173.2	0	112.2	R674 E675 V676 G681	R674-K678 HydrophobicContact CG-CD 4.44Å; R674-K678 WeakPolarHBondContact O-CG 3.07Å; R674-K678 PolarHBondContact O-N 3.14Å; E675-K678 PolarHBondContact O-N 2.87Å; V676-K678 VanDerWaalsContact C-N 3.34Å; V676-K678 PolarHBondContact O-N 3.32Å; K678-G681 PolarHBondContact O-N 3.41Å
679	K	90	Very high	90.9	Very high	137 Å²	137	59.9 Å²	59.9	60%	0.596	29%	0.287	S	S	*	.	H	α-helix	trans	-74.5	-30.9	179.4	-70.9	165.8	-173.8	169.2	0	113.6	M671 E675 V676 L677	M671-K679 HydrophobicContact SD-CD 4.08Å; M671-K679 PolarHBondContact SD-NZ 3.18Å; E675-K679 WeakPolarHBondContact O-CG 3.45Å; E675-K679 PolarHBondContact O-N 3Å; V676-K679 WeakPolarHBondContact O-CB 2.95Å; V676-K679 PolarHBondContact O-N 3.46Å; L677-K679 VanDerWaalsContact C-N 3.27Å; L677-K679 PolarHBondContact O-N 3.26Å
680	Y	87.7	Confident	90.9	Very high	135 Å²	135	60.2 Å²	60.2	53%	0.529	29%	0.293	S	S	.	.	H	α-helix	trans	-74.9	-24.2	172	-82	-89.1	0	0	0	113.3	V676 L677 L686	V676-Y680 HydrophobicContact CG1-CD2 3.89Å; V676-Y680 HydrophobicContact CG1-CE2 3.7Å; V676-Y680 WeakPolarHBondContact O-CD2 3.25Å; V676-Y680 PolarHBondContact O-N 3.37Å; V676-Y680 VanDerWaalsContact O-N 3.1Å; L677-Y680 PolarHBondContact O-N 2.94Å; Y680-L686 HydrophobicContact CD1-CD2 4.43Å; Y680-L686 HydrophobicContact CD2-CD2 3.31Å; Y680-L686 HydrophobicContact CE1-CD2 4.49Å; Y680-L686 HydrophobicContact CE2-CD2 3.39Å; Y680-L686 HydrophobicContact CG-CD2 3.88Å
681	G	85.7	Confident	91.1	Very high	26 Å²	26	59.3 Å²	59.3	27%	0.268	29%	0.286	S	S	.	.			trans	109.5	159.9	173.5	0	0	0	0	0	114.2	L677 K678 N683 V684	L677-G681 PolarHBondContact O-N 2.78Å; L677-G681 VanDerWaalsContact O-N 3.17Å; K678-G681 PolarHBondContact O-N 3.41Å; G681-N683 PolarHBondContact O-N 2.87Å; G681-V684 PolarHBondContact O-N 2.83Å
682	K	83.4	Confident	91.3	Very high	199 Å²	199	60.7 Å²	60.7	87%	0.865	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	125.6	-176.5	-63.9	-178.6	-179.4	179.1	0	110.5	V684	K682-V684 PolarHBondContact O-N 3.09Å
683	N	83.6	Confident	91.4	Very high	101 Å²	101	61 Å²	61	54%	0.54	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	18.1	178	-51.3	-42.7	0	0	0	115.8	G681 T783 K785	G681-N683 PolarHBondContact O-N 2.87Å; N683-T783 CarbonylContact C-O 3.56Å; N683-K785 HydrophobicContact CB-CG 4.43Å; N683-K785 VanDerWaalsContact OD1-CG 3.32Å; N683-K785 WeakPolarHBondContact OD1-CG 3.47Å
684	V	87.8	Confident	91.5	Very high	82 Å²	82	61.5 Å²	61.5	50%	0.497	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-46.1	178.1	-179.6	0	0	0	0	111.6	G681 K682	G681-V684 PolarHBondContact O-N 2.83Å; K682-V684 PolarHBondContact O-N 3.09Å
685	G	91.2	Very high	91.7	Very high	2 Å²	2	59.5 Å²	59.5	2%	0.021	29%	0.288	C	S	.	.			trans	70.7	-165.9	-175.7	0	0	0	0	0	113.9	Y782	G685-Y782 WeakPolarHBondContact CA-O 3.24Å
686	L	93.3	Very high	91.9	Very high	7 Å²	7	59.7 Å²	59.7	4%	0.037	29%	0.289	C	S	.	.			trans	-109.8	146	-177.4	-56.1	-178.2	0	0	0	111.6	V676 L677 Y680 I688 V691 Y694 L781 Y782	V676-L686 HydrophobicContact CG1-CD2 3.93Å; L677-L686 HydrophobicContact CD2-CD2 4.27Å; L677-L686 HydrophobicContact CD2-CG 4.01Å; Y680-L686 HydrophobicContact CD1-CD2 4.43Å; Y680-L686 HydrophobicContact CD2-CD2 3.31Å; Y680-L686 HydrophobicContact CE1-CD2 4.49Å; Y680-L686 HydrophobicContact CE2-CD2 3.39Å; Y680-L686 HydrophobicContact CG-CD2 3.88Å; L686-I688 PolarHBondContact O-N 2.81Å; L686-V691 HydrophobicContact CB-CG2 3.89Å; L686-Y694 HydrophobicContact CD1-CD2 3.97Å; L686-Y694 HydrophobicContact CD1-CE2 3.62Å; L686-L781 VanDerWaalsContact CB-O 3.31Å; L686-L781 WeakPolarHBondContact CB-O 3.43Å; L686-L781 HydrophobicContact CD1-CB 4.39Å; L686-L781 HydrophobicContact CD1-CD2 3.85Å; L686-L781 WeakPolarHBondContact CG-O 3.28Å; L686-L781 PolarHBondContact N-O 3.03Å; L686-Y782 WeakPolarHBondContact O-CD2 2.87Å
687	H	93.2	Very high	92.1	Very high	95 Å²	95	60.1 Å²	60.1	44%	0.44	29%	0.291	S	S	.	.			trans	-57	137	175.3	-177.6	-107	0	0	0	111.9	K689 A690 V691	H687-K689 PolarHBondContact O-N 3.22Å; H687-A690 WeakPolarHBondContact O-CA 3.32Å; H687-A690 WeakPolarHBondContact O-CB 3.49Å; H687-A690 PolarHBondContact O-N 3.24Å; H687-V691 PolarHBondContact O-N 3.37Å
688	I	93.1	Very high	92.4	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-55.5	-29.8	-169.2	-168	63	0	0	0	114.3	L686 A690 V691 R692 Y782 Q868 K871 V872 L875 F901 M906	L686-I688 PolarHBondContact O-N 2.81Å; I688-A690 PolarHBondContact O-N 3.39Å; I688-V691 PolarHBondContact O-N 3.05Å; I688-R692 WeakPolarHBondContact O-CB 3.48Å; I688-R692 PolarHBondContact O-N 2.75Å; I688-Y782 HydrophobicContact CB-CD2 4.4Å; I688-Y782 HydrophobicContact CB-CE2 3.99Å; I688-Y782 HydrophobicContact CD1-CD2 3.86Å; I688-Y782 HydrophobicContact CD1-CE2 3.95Å; I688-Y782 HydrophobicContact CD1-CG 4.4Å; I688-Y782 HydrophobicContact CG1-CE2 4.49Å; I688-Q868 HydrophobicContact CG2-CG 4.43Å; I688-K871 HydrophobicContact CG1-CB 4.03Å; I688-V872 HydrophobicContact CD1-CG2 4.32Å; I688-V872 HydrophobicContact CG1-CG2 4.47Å; I688-L875 HydrophobicContact CD1-CB 4.43Å; I688-L875 HydrophobicContact CD1-CD2 3.71Å; I688-F901 HydrophobicContact CD1-CE2 3.75Å; I688-F901 HydrophobicContact CD1-CZ 3.99Å; I688-F901 HydrophobicContact CG1-CE2 4.14Å; I688-M906 HydrophobicContact CG2-CE 3.74Å; I688-M906 HydrophobicContact CG2-SD 3.97Å
689	K	93.2	Very high	92.6	Very high	87 Å²	87	52.4 Å²	52.4	38%	0.378	26%	0.257	S	S	.	.	H	α-helix	trans	-64.9	-35.6	173.6	-66.6	-168.7	-174.4	-149.3	0	112.9	H687 S693 M906	H687-K689 PolarHBondContact O-N 3.22Å; K689-S693 PolarHBondContact O-N 2.91Å; K689-M906 HydrophobicContact CD-CB 4.23Å; K689-M906 HydrophobicContact CD-SD 4.48Å; K689-M906 VanDerWaalsContact CE-CB 3.4Å; K689-M906 HydrophobicContact CG-CB 4.31Å; K689-M906 HydrophobicContact CG-CE 4.4Å; K689-M906 HydrophobicContact CG-SD 3.62Å; K689-M906 PolarHBondContact NZ-O 3.4Å; K689-M906 PolarHBondContact NZ-OXT 3.32Å
690	A	94	Very high	93	Very high	33 Å²	33	47.8 Å²	47.8	27%	0.273	24%	0.238	S	C	.	.	H	α-helix	trans	-73.1	-44.3	174.8	0	0	0	0	0	111	H687 I688 R692 S693 Y694	H687-A690 WeakPolarHBondContact O-CA 3.32Å; H687-A690 WeakPolarHBondContact O-CB 3.49Å; H687-A690 PolarHBondContact O-N 3.24Å; I688-A690 PolarHBondContact O-N 3.39Å; A690-R692 VanDerWaalsContact C-N 3.29Å; A690-R692 PolarHBondContact O-N 3.27Å; A690-S693 WeakPolarHBondContact O-CA 3.28Å; A690-S693 WeakPolarHBondContact O-CB 3.42Å; A690-S693 PolarHBondContact O-N 3.5Å; A690-Y694 PolarHBondContact O-N 2.81Å
691	V	95.9	Very high	93.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-57.1	-42.3	174.7	-179	0	0	0	0	111.3	L686 H687 I688 S693 Y694 T695 I778 L781 Y782 L875 F901	L686-V691 HydrophobicContact CB-CG2 3.89Å; H687-V691 PolarHBondContact O-N 3.37Å; I688-V691 PolarHBondContact O-N 3.05Å; V691-S693 PolarHBondContact O-N 3Å; V691-Y694 PolarHBondContact O-N 2.73Å; V691-T695 VanDerWaalsContact O-CB 3.25Å; V691-T695 WeakPolarHBondContact O-CB 3.11Å; V691-T695 PolarHBondContact O-N 3.06Å; V691-T695 PolarHBondContact O-OG1 2.91Å; V691-I778 HydrophobicContact CG1-CG2 4.1Å; V691-L781 HydrophobicContact CG2-CB 4.45Å; V691-Y782 HydrophobicContact CG2-CD2 4.09Å; V691-L875 HydrophobicContact CG1-CD2 4.39Å; V691-F901 HydrophobicContact CG1-CZ 4.37Å
692	R	95.8	Very high	94	Very high	61 Å²	61	40.3 Å²	40.3	23%	0.23	20%	0.201	C	C	.	.	H	α-helix	trans	-59.1	-45.5	173.4	-168.4	-162.3	70.2	105.9	11.8	112.2	I688 A690 T695 Q696 F901 I902	I688-R692 WeakPolarHBondContact O-CB 3.48Å; I688-R692 PolarHBondContact O-N 2.75Å; A690-R692 VanDerWaalsContact C-N 3.29Å; A690-R692 PolarHBondContact O-N 3.27Å; R692-T695 PolarHBondContact O-N 3.19Å; R692-Q696 PolarHBondContact O-N 3.05Å; R692-Q696 VanDerWaalsContact O-N 3.11Å; R692-F901 HydrophobicContact CB-CE1 4.11Å; R692-F901 HydrophobicContact CB-CE2 4.34Å; R692-F901 HydrophobicContact CB-CZ 3.82Å; R692-F901 WeakPolarHBondContact CD-O 3.29Å; R692-F901 HydrophobicContact CG-CD1 4.47Å; R692-F901 HydrophobicContact CG-CE1 4.21Å; R692-F901 HydrophobicContact CG-CZ 4.24Å; R692-F901 VanDerWaalsContact CG-O 3.28Å; R692-F901 WeakPolarHBondContact CG-O 3.46Å; R692-I902 PolarHBondContact NH1-O 3.12Å
693	S	95.4	Very high	94.6	Very high	37 Å²	37	34.4 Å²	34.4	26%	0.259	18%	0.176	S	C	.	.	H	α-helix	trans	-60.5	-51.8	177.8	-169.1	0	0	0	0	111.2	K689 A690 V691 T695 Q696 Q697	K689-S693 PolarHBondContact O-N 2.91Å; A690-S693 WeakPolarHBondContact O-CA 3.28Å; A690-S693 WeakPolarHBondContact O-CB 3.42Å; A690-S693 PolarHBondContact O-N 3.5Å; V691-S693 PolarHBondContact O-N 3Å; S693-T695 PolarHBondContact O-N 2.98Å; S693-Q696 WeakPolarHBondContact O-CB 3.1Å; S693-Q696 PolarHBondContact O-N 2.56Å; S693-Q697 WeakPolarHBondContact O-CG 3.37Å; S693-Q697 PolarHBondContact O-N 3.03Å; S693-Q697 VanDerWaalsContact O-N 3.07Å; S693-Q697 PolarHBondContact OG-NE2 2.97Å
694	Y	97.1	Very high	95.2	Very high	9 Å²	9	29.6 Å²	29.6	4%	0.035	15%	0.15	C	C	.	.	H	α-helix	trans	-64.1	-38.3	179.7	-66	-12.8	0	0	0	112.5	L673 L686 A690 V691 Q696 Q697 L698 V722 N726 L729 L781	L673-Y694 HydrophobicContact CD1-CD2 4.36Å; L673-Y694 HydrophobicContact CD2-CD2 4.06Å; L673-Y694 HydrophobicContact CD2-CE2 3.5Å; L686-Y694 HydrophobicContact CD1-CD2 3.97Å; L686-Y694 HydrophobicContact CD1-CE2 3.62Å; A690-Y694 PolarHBondContact O-N 2.81Å; V691-Y694 PolarHBondContact O-N 2.73Å; Y694-Q696 VanDerWaalsContact C-N 3.33Å; Y694-Q696 PolarHBondContact O-N 3.25Å; Y694-Q697 PolarHBondContact O-N 2.78Å; Y694-L698 VanDerWaalsContact O-CB 3.28Å; Y694-L698 WeakPolarHBondContact O-CB 3.38Å; Y694-L698 PolarHBondContact O-N 3.08Å; Y694-V722 HydrophobicContact CE1-CG1 4.44Å; Y694-N726 PolarHBondContact OH-O 3.03Å; Y694-L729 HydrophobicContact CD1-CD2 3.94Å; Y694-L729 HydrophobicContact CG-CD2 3.9Å; Y694-L781 HydrophobicContact CD2-CD1 4.41Å
695	T	97	Very high	95.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-58.7	-44.7	174.3	-61.1	0	0	0	0	111.5	V691 R692 S693 F699 I778 L878 F901 I902	V691-T695 VanDerWaalsContact O-CB 3.25Å; V691-T695 WeakPolarHBondContact O-CB 3.11Å; V691-T695 PolarHBondContact O-N 3.06Å; V691-T695 PolarHBondContact O-OG1 2.91Å; R692-T695 PolarHBondContact O-N 3.19Å; S693-T695 PolarHBondContact O-N 2.98Å; T695-F699 HydrophobicContact CG2-CD2 4.04Å; T695-F699 HydrophobicContact CG2-CE1 4.37Å; T695-F699 HydrophobicContact CG2-CE2 3.46Å; T695-F699 VanDerWaalsContact CG2-CE2 3.46Å; T695-F699 HydrophobicContact CG2-CZ 3.65Å; T695-F699 VanDerWaalsContact O-CG 3.28Å; T695-F699 WeakPolarHBondContact O-CG 3.41Å; T695-F699 PolarHBondContact O-N 2.82Å; T695-F699 VanDerWaalsContact O-N 3.07Å; T695-I778 HydrophobicContact CG2-CD1 3.78Å; T695-L878 HydrophobicContact CG2-CD2 3.8Å; T695-F901 HydrophobicContact CG2-CD1 4.27Å; T695-F901 HydrophobicContact CG2-CE1 4.12Å; T695-I902 HydrophobicContact CG2-CD1 4.04Å; T695-I902 HydrophobicContact CG2-CG1 4.4Å
696	Q	96.6	Very high	95.9	Very high	71 Å²	71	30.5 Å²	30.5	33%	0.332	15%	0.147	S	C	.	.	H	α-helix	trans	-63.1	-46.1	176.8	-174.8	178	-3.8	0	0	112	R692 S693 Y694 F699 L700 L897 I902	R692-Q696 PolarHBondContact O-N 3.05Å; R692-Q696 VanDerWaalsContact O-N 3.11Å; S693-Q696 WeakPolarHBondContact O-CB 3.1Å; S693-Q696 PolarHBondContact O-N 2.56Å; Y694-Q696 VanDerWaalsContact C-N 3.33Å; Y694-Q696 PolarHBondContact O-N 3.25Å; Q696-F699 PolarHBondContact O-N 2.98Å; Q696-L700 WeakPolarHBondContact O-CG 3.46Å; Q696-L700 PolarHBondContact O-N 3.32Å; Q696-L700 VanDerWaalsContact O-N 3.14Å; Q696-L897 HydrophobicContact CG-CD2 4.43Å; Q696-I902 HydrophobicContact CB-CD1 4.36Å; Q696-I902 HydrophobicContact CB-CG2 4Å; Q696-I902 HydrophobicContact CG-CG2 3.91Å
697	Q	96.9	Very high	95.9	Very high	16 Å²	16	36.6 Å²	36.6	8%	0.075	17%	0.173	C	C	.	.	H	α-helix	trans	-66.3	-40.9	-179.5	-64.6	178.8	49.5	0	0	112	H648 S693 Y694 L700 A701 L727 L729	H648-Q697 VanDerWaalsContact CE1-CG 3.46Å; H648-Q697 WeakPolarHBondContact CE1-CG 3.46Å; H648-Q697 PolarHBondContact CE1-OE1 2.95Å; H648-Q697 PolarHBondContact ND1-OE1 2.93Å; S693-Q697 WeakPolarHBondContact O-CG 3.37Å; S693-Q697 PolarHBondContact O-N 3.03Å; S693-Q697 VanDerWaalsContact O-N 3.07Å; S693-Q697 PolarHBondContact OG-NE2 2.97Å; Y694-Q697 PolarHBondContact O-N 2.78Å; Q697-L700 WeakPolarHBondContact O-CB 3.4Å; Q697-L700 PolarHBondContact O-N 2.97Å; Q697-L700 VanDerWaalsContact O-N 3.16Å; Q697-A701 PolarHBondContact O-N 2.67Å; Q697-A701 VanDerWaalsContact O-N 3.11Å; Q697-L727 PolarHBondContact NE2-O 3.46Å; Q697-L729 HydrophobicContact CB-CD1 4Å; Q697-L729 HydrophobicContact CB-CD2 4.03Å; Q697-L729 HydrophobicContact CB-CG 3.72Å
698	L	97.6	Very high	96	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-64.3	-40.5	176.4	-175.2	57.5	0	0	0	111.8	Y694 L700 A701 L702 I715 I720 L731 A774 I778	Y694-L698 VanDerWaalsContact O-CB 3.28Å; Y694-L698 WeakPolarHBondContact O-CB 3.38Å; Y694-L698 PolarHBondContact O-N 3.08Å; L698-L700 VanDerWaalsContact C-N 3.27Å; L698-L700 PolarHBondContact O-N 3.02Å; L698-A701 WeakPolarHBondContact O-CB 3.42Å; L698-A701 PolarHBondContact O-N 3.49Å; L698-L702 WeakPolarHBondContact O-CG 3.4Å; L698-L702 PolarHBondContact O-N 2.93Å; L698-I715 HydrophobicContact CD1-CG2 4.25Å; L698-I720 HydrophobicContact CD1-CD1 4.02Å; L698-I720 HydrophobicContact CD2-CD1 4.22Å; L698-L731 HydrophobicContact CD1-CD1 4.31Å; L698-L731 HydrophobicContact CD1-CD2 4.39Å; L698-A774 HydrophobicContact CD2-CB 3.67Å; L698-A774 HydrophobicContact CG-CB 4.16Å; L698-I778 HydrophobicContact CD2-CD1 4.4Å; L698-I778 HydrophobicContact CD2-CG1 4.37Å
699	F	97.4	Very high	96.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-68.8	-22.9	174.4	-65.8	-14.7	0	0	0	113.8	T695 Q696 L702 K703 I778 L878 M882 A896 L897 I902	T695-F699 HydrophobicContact CG2-CD2 4.04Å; T695-F699 HydrophobicContact CG2-CE1 4.37Å; T695-F699 HydrophobicContact CG2-CE2 3.46Å; T695-F699 VanDerWaalsContact CG2-CE2 3.46Å; T695-F699 HydrophobicContact CG2-CZ 3.65Å; T695-F699 VanDerWaalsContact O-CG 3.28Å; T695-F699 WeakPolarHBondContact O-CG 3.41Å; T695-F699 PolarHBondContact O-N 2.82Å; T695-F699 VanDerWaalsContact O-N 3.07Å; Q696-F699 PolarHBondContact O-N 2.98Å; F699-L702 HydrophobicContact CD1-CD1 4.18Å; F699-K703 VanDerWaalsContact O-CB 3.27Å; F699-K703 WeakPolarHBondContact O-CB 3.46Å; F699-K703 PolarHBondContact O-N 3.38Å; F699-K703 VanDerWaalsContact O-N 3.11Å; F699-I778 HydrophobicContact CE1-CD1 3.84Å; F699-I778 HydrophobicContact CZ-CD1 3.96Å; F699-L878 HydrophobicContact CE2-CD1 4.18Å; F699-L878 HydrophobicContact CE2-CD2 3.99Å; F699-L878 HydrophobicContact CZ-CD1 4.29Å; F699-L878 HydrophobicContact CZ-CD2 4.13Å; F699-M882 HydrophobicContact CE1-CE 3.6Å; F699-M882 HydrophobicContact CE1-SD 4.19Å; F699-M882 HydrophobicContact CZ-CE 3.77Å; F699-M882 HydrophobicContact CZ-SD 3.71Å; F699-A896 HydrophobicContact CD2-CB 3.73Å; F699-A896 HydrophobicContact CE2-CB 3.57Å; F699-A896 HydrophobicContact CG-CB 4.42Å; F699-A896 HydrophobicContact CZ-CB 4.14Å; F699-L897 HydrophobicContact CB-CD2 3.69Å; F699-L897 HydrophobicContact CB-CG 3.98Å; F699-I902 HydrophobicContact CD2-CD1 3.66Å; F699-I902 HydrophobicContact CE2-CD1 3.87Å
700	L	97.1	Very high	96.2	Very high	39 Å²	39	29.6 Å²	29.6	20%	0.204	15%	0.148	C	C	.	.	H	α-helix	trans	-70.6	-42.7	168.4	-68.8	171.2	0	0	0	110.9	F647 Q696 Q697 L698 K703 L704 L897	F647-L700 HydrophobicContact CD1-CB 4.06Å; F647-L700 HydrophobicContact CD1-CD2 4.15Å; F647-L700 VanDerWaalsContact CD1-O 3.32Å; F647-L700 WeakPolarHBondContact CD1-O 3.43Å; F647-L700 HydrophobicContact CE1-CD2 4.18Å; F647-L700 CarbonylContact O-C 3.51Å; Q696-L700 WeakPolarHBondContact O-CG 3.46Å; Q696-L700 PolarHBondContact O-N 3.32Å; Q696-L700 VanDerWaalsContact O-N 3.14Å; Q697-L700 WeakPolarHBondContact O-CB 3.4Å; Q697-L700 PolarHBondContact O-N 2.97Å; Q697-L700 VanDerWaalsContact O-N 3.16Å; L698-L700 VanDerWaalsContact C-N 3.27Å; L698-L700 PolarHBondContact O-N 3.02Å; L700-K703 WeakPolarHBondContact O-CB 3.48Å; L700-K703 PolarHBondContact O-N 3.1Å; L700-K703 VanDerWaalsContact O-N 3.09Å; L700-L704 PolarHBondContact O-N 3.39Å; L700-L897 HydrophobicContact CD2-CD1 4.26Å; L700-L897 HydrophobicContact CD2-CD2 4.26Å; L700-L897 HydrophobicContact CG-CD2 4.31Å
701	A	97.4	Very high	96.3	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.8	-47	173.9	0	0	0	0	0	112.6	F647 H648 Q697 L698 K703 L704 L705 L731	F647-A701 WeakPolarHBondContact O-CA 3.47Å; F647-A701 WeakPolarHBondContact O-CB 3.46Å; F647-A701 PolarHBondContact O-N 3.08Å; H648-A701 HydrophobicContact CB-CB 4.47Å; Q697-A701 PolarHBondContact O-N 2.67Å; Q697-A701 VanDerWaalsContact O-N 3.11Å; L698-A701 WeakPolarHBondContact O-CB 3.42Å; L698-A701 PolarHBondContact O-N 3.49Å; A701-K703 PolarHBondContact O-N 2.73Å; A701-L704 PolarHBondContact O-N 2.87Å; A701-L704 VanDerWaalsContact O-N 3.12Å; A701-L705 WeakPolarHBondContact O-CG 3.36Å; A701-L705 PolarHBondContact O-N 2.85Å; A701-L731 HydrophobicContact CB-CB 4.01Å; A701-L731 HydrophobicContact CB-CD2 3.74Å
702	L	97.1	Very high	96.3	Very high	5 Å²	5	28 Å²	28	3%	0.026	14%	0.135	C	C	.	.	H	α-helix	trans	-57.6	-34.5	172.8	-64	-169.3	0	0	0	112.5	L698 F699 L705 K706 I715 D770 A774 L893	L698-L702 WeakPolarHBondContact O-CG 3.4Å; L698-L702 PolarHBondContact O-N 2.93Å; F699-L702 HydrophobicContact CD1-CD1 4.18Å; L702-L705 HydrophobicContact CD2-CD1 4.24Å; L702-K706 WeakPolarHBondContact O-CB 3.46Å; L702-K706 PolarHBondContact O-N 3.5Å; L702-I715 HydrophobicContact CD2-CD1 3.42Å; L702-I715 VanDerWaalsContact CD2-CD1 3.42Å; L702-D770 HydrophobicContact CD2-CB 3.72Å; L702-A774 HydrophobicContact CD1-CB 3.97Å; L702-L893 VanDerWaalsContact C-CD1 3.5Å; L702-L893 HydrophobicContact CB-CD1 3.71Å; L702-L893 HydrophobicContact CB-CD2 3.67Å; L702-L893 HydrophobicContact CB-CG 4.34Å; L702-L893 HydrophobicContact CD1-CD2 3.65Å; L702-L893 HydrophobicContact CG-CD2 4.33Å; L702-L893 VanDerWaalsContact O-CD1 3.32Å; L702-L893 WeakPolarHBondContact O-CD1 3.5Å
703	K	96.6	Very high	96.3	Very high	75 Å²	75	25.2 Å²	25.2	33%	0.326	12%	0.124	S	C	.	.	H	α-helix	trans	-72.5	-29.7	179.4	-179.4	165	177	163.1	0	112.6	F647 F699 L700 A701 K707 N894 L897	F647-K703 HydrophobicContact CE1-CD 4.46Å; F647-K703 HydrophobicContact CE1-CG 4.32Å; F699-K703 VanDerWaalsContact O-CB 3.27Å; F699-K703 WeakPolarHBondContact O-CB 3.46Å; F699-K703 PolarHBondContact O-N 3.38Å; F699-K703 VanDerWaalsContact O-N 3.11Å; L700-K703 WeakPolarHBondContact O-CB 3.48Å; L700-K703 PolarHBondContact O-N 3.1Å; L700-K703 VanDerWaalsContact O-N 3.09Å; A701-K703 PolarHBondContact O-N 2.73Å; K703-K707 WeakPolarHBondContact O-CB 3.49Å; K703-K707 PolarHBondContact O-N 3.01Å; K703-N894 PolarHBondContact NZ-OD1 2.87Å; K703-L897 HydrophobicContact CD-CD1 3.76Å
704	L	96.6	Very high	96.3	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-72.5	-47	170	-178.1	64.5	0	0	0	111.3	L638 A641 D642 F647 C649 L700 A701 K706 K707 T708	L638-L704 HydrophobicContact CB-CD2 4.32Å; L638-L704 HydrophobicContact CD2-CD2 3.82Å; L638-L704 HydrophobicContact CD2-CG 3.76Å; A641-L704 HydrophobicContact CB-CD1 3.85Å; D642-L704 HydrophobicContact CB-CD1 4.2Å; D642-L704 HydrophobicContact CB-CD2 3.96Å; F647-L704 HydrophobicContact CB-CB 3.64Å; F647-L704 HydrophobicContact CB-CD2 3.91Å; F647-L704 HydrophobicContact CB-CG 4.26Å; F647-L704 HydrophobicContact CD1-CB 4.43Å; F647-L704 HydrophobicContact CD2-CB 4.4Å; F647-L704 HydrophobicContact CD2-CD1 4.2Å; F647-L704 HydrophobicContact CG-CB 3.94Å; C649-L704 HydrophobicContact CB-CD2 4.39Å; L700-L704 PolarHBondContact O-N 3.39Å; A701-L704 PolarHBondContact O-N 2.87Å; A701-L704 VanDerWaalsContact O-N 3.12Å; L704-K706 VanDerWaalsContact C-N 3.32Å; L704-K706 PolarHBondContact O-N 3.02Å; L704-K707 HydrophobicContact CD1-CD 4.26Å; L704-K707 CarbonylContact O-C 3.56Å; L704-K707 WeakPolarHBondContact O-CA 3.42Å; L704-K707 WeakPolarHBondContact O-CB 3.49Å; L704-K707 PolarHBondContact O-N 3.4Å; L704-T708 HydrophobicContact CD1-CG2 4.14Å; L704-T708 HydrophobicContact CG-CG2 4.48Å; L704-T708 PolarHBondContact O-N 2.99Å; L704-T708 PolarHBondContact O-OG1 3.33Å; L704-T708 VanDerWaalsContact O-OG1 3.13Å
705	L	96.5	Very high	96.3	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.01	11%	0.113	C	C	.	.	H	α-helix	trans	-54.1	-47.1	176.1	-70.3	166.8	0	0	0	111.8	L638 A701 L702 K707 T708 G709 I710 H712 L731 F734	L638-L705 HydrophobicContact CD1-CD2 4.11Å; L638-L705 HydrophobicContact CD2-CD2 4.02Å; A701-L705 WeakPolarHBondContact O-CG 3.36Å; A701-L705 PolarHBondContact O-N 2.85Å; L702-L705 HydrophobicContact CD2-CD1 4.24Å; L705-K707 VanDerWaalsContact C-N 3.27Å; L705-K707 PolarHBondContact O-N 3.23Å; L705-T708 PolarHBondContact O-N 3.41Å; L705-T708 PolarHBondContact O-OG1 2.85Å; L705-G709 PolarHBondContact O-N 2.81Å; L705-I710 CarbonylContact C-O 3.45Å; L705-I710 HydrophobicContact CD2-CB 4Å; L705-I710 HydrophobicContact CD2-CG2 3.8Å; L705-I710 PolarHBondContact O-N 3.41Å; L705-H712 HydrophobicContact CD1-CB 4Å; L705-L731 HydrophobicContact CD1-CD2 3.85Å; L705-F734 HydrophobicContact CD2-CE1 4.05Å
706	K	95.3	Very high	96.3	Very high	101 Å²	101	25.2 Å²	25.2	44%	0.439	12%	0.12	S	C	.	.	H	α-helix	trans	-68.3	-20.3	174.9	-172	157.4	-169.4	151.1	0	114.4	L702 L704 D766 Y767 L893	L702-K706 WeakPolarHBondContact O-CB 3.46Å; L702-K706 PolarHBondContact O-N 3.5Å; L704-K706 VanDerWaalsContact C-N 3.32Å; L704-K706 PolarHBondContact O-N 3.02Å; K706-D766 IonicContact NZ-OD2 3.33Å; K706-Y767 HydrophobicContact CB-CD1 3.81Å; K706-Y767 HydrophobicContact CB-CE1 4.16Å; K706-Y767 HydrophobicContact CB-CG 4.06Å; K706-Y767 HydrophobicContact CD-CD1 4.32Å; K706-Y767 HydrophobicContact CD-CD2 3.7Å; K706-Y767 HydrophobicContact CD-CE2 4.3Å; K706-Y767 HydrophobicContact CD-CG 3.69Å; K706-Y767 VanDerWaalsContact CE-CD2 3.45Å; K706-Y767 HydrophobicContact CG-CD1 3.92Å; K706-Y767 HydrophobicContact CG-CD2 3.87Å; K706-Y767 HydrophobicContact CG-CE1 4.13Å; K706-Y767 HydrophobicContact CG-CE2 4.06Å; K706-Y767 HydrophobicContact CG-CG 3.78Å; K706-L893 HydrophobicContact CB-CD1 4.04Å; K706-L893 HydrophobicContact CD-CD1 4.19Å
707	K	94.9	Very high	96.2	Very high	134 Å²	134	21.9 Å²	21.9	58%	0.583	10%	0.104	S	C	*	.	H	α-helix	trans	-80.9	-34.9	172.8	177.6	-165.7	165.2	-161.3	0	111.6	A641 K703 L704 L705	A641-K707 PolarHBondContact O-NZ 2.81Å; K703-K707 WeakPolarHBondContact O-CB 3.49Å; K703-K707 PolarHBondContact O-N 3.01Å; L704-K707 HydrophobicContact CD1-CD 4.26Å; L704-K707 CarbonylContact O-C 3.56Å; L704-K707 WeakPolarHBondContact O-CA 3.42Å; L704-K707 WeakPolarHBondContact O-CB 3.49Å; L704-K707 PolarHBondContact O-N 3.4Å; L705-K707 VanDerWaalsContact C-N 3.27Å; L705-K707 PolarHBondContact O-N 3.23Å
708	T	94.9	Very high	96.1	Very high	18 Å²	18	23.9 Å²	23.9	11%	0.11	12%	0.116	C	C	.	.	H	α-helix	trans	-91.1	-7.3	-177.3	53.2	0	0	0	0	114.4	K637 L638 A641 L704 L705 I710	K637-T708 WeakPolarHBondContact CE-O 3.33Å; K637-T708 PolarHBondContact NZ-O 3.32Å; L638-T708 HydrophobicContact CD2-CG2 4.14Å; L638-T708 WeakPolarHBondContact CD2-OG1 3.45Å; A641-T708 HydrophobicContact CB-CG2 3.44Å; A641-T708 VanDerWaalsContact CB-CG2 3.44Å; L704-T708 HydrophobicContact CD1-CG2 4.14Å; L704-T708 HydrophobicContact CG-CG2 4.48Å; L704-T708 PolarHBondContact O-N 2.99Å; L704-T708 PolarHBondContact O-OG1 3.33Å; L704-T708 VanDerWaalsContact O-OG1 3.13Å; L705-T708 PolarHBondContact O-N 3.41Å; L705-T708 PolarHBondContact O-OG1 2.85Å; T708-I710 WeakPolarHBondContact OG1-CD1 3.24Å
709	G	94.9	Very high	96	Very high	17 Å²	17	24.4 Å²	24.4	18%	0.175	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	22.4	177.7	0	0	0	0	0	114.2	L705 A739 I740 Y767	L705-G709 PolarHBondContact O-N 2.81Å; G709-A739 WeakPolarHBondContact O-CA 3.38Å; G709-I740 PolarHBondContact O-N 3.09Å; G709-Y767 WeakPolarHBondContact CA-OH 3.49Å
710	I	95.8	Very high	96	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.01	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	140.4	-168.1	-56	178.4	0	0	0	109.9	I634 K637 L638 L705 T708 A737 S738	I634-I710 HydrophobicContact CG1-CD1 4.39Å; I634-I710 HydrophobicContact CG2-CD1 4.04Å; I634-I710 HydrophobicContact CG2-CG2 4.15Å; K637-I710 HydrophobicContact CD-CD1 4.15Å; K637-I710 HydrophobicContact CG-CD1 4.47Å; L638-I710 HydrophobicContact CD2-CD1 4.17Å; L638-I710 HydrophobicContact CG-CD1 4.07Å; L705-I710 CarbonylContact C-O 3.45Å; L705-I710 HydrophobicContact CD2-CB 4Å; L705-I710 HydrophobicContact CD2-CG2 3.8Å; L705-I710 PolarHBondContact O-N 3.41Å; T708-I710 WeakPolarHBondContact OG1-CD1 3.24Å; I710-A737 HydrophobicContact CG2-CB 4.3Å; I710-S738 WeakPolarHBondContact CA-O 3.49Å
711	L	95.8	Very high	95.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	137	165.1	-57.4	-176.5	0	0	0	108.7	A737 S738 N743 Y765 Y767 I769	L711-A737 WeakPolarHBondContact O-CA 3.24Å; L711-A737 WeakPolarHBondContact O-CB 3.09Å; L711-S738 PolarHBondContact N-O 3.24Å; L711-S738 PolarHBondContact O-N 2.89Å; L711-S738 VanDerWaalsContact O-N 3.08Å; L711-N743 WeakPolarHBondContact CD1-OD1 3.48Å; L711-Y765 HydrophobicContact CD1-CD2 3.94Å; L711-Y765 HydrophobicContact CD1-CE2 3.7Å; L711-Y767 HydrophobicContact CD2-CD1 3.53Å; L711-Y767 HydrophobicContact CD2-CE1 4.01Å; L711-Y767 HydrophobicContact CD2-CG 3.96Å; L711-I769 HydrophobicContact CD1-CD1 4.18Å
712	H	96.3	Very high	95.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.119	C	C	.	.			trans	-83.9	-38.3	175	-173.3	-37.8	0	0	0	111.7	L705 D714 I715 L731 C732 D733 F734 D770	L705-H712 HydrophobicContact CD1-CB 4Å; H712-D714 PolarHBondContact O-N 3.34Å; H712-I715 HydrophobicContact CB-CD1 4.06Å; H712-I715 HydrophobicContact CB-CG1 3.87Å; H712-L731 VanDerWaalsContact CD2-CG 3.45Å; H712-L731 WeakPolarHBondContact CD2-CG 3.28Å; H712-C732 PolarHBondContact CE1-O 2.87Å; H712-C732 PolarHBondContact NE2-O 3.34Å; H712-D733 PolarHBondContact CE1-O 3.23Å; H712-F734 AromaticContact CD2-CD1 3.93Å; H712-F734 AromaticContact CD2-CE1 3.58Å; H712-D770 PolarHBondContact N-OD2 3.48Å
713	A	95.2	Very high	95.6	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.008	13%	0.127	C	C	.	.			trans	57	15.4	174.2	0	0	0	0	0	116.4	L749 V750 I769 D770	A713-L749 HydrophobicContact CB-CD1 3.85Å; A713-L749 HydrophobicContact CB-CD2 3.98Å; A713-L749 HydrophobicContact CB-CG 3.9Å; A713-V750 WeakPolarHBondContact O-CA 3.28Å; A713-V750 WeakPolarHBondContact O-CB 3.34Å; A713-V750 WeakPolarHBondContact O-CG2 3.2Å; A713-V750 PolarHBondContact O-N 2.54Å; A713-I769 HydrophobicContact CB-CD1 4.08Å; A713-D770 PolarHBondContact N-OD1 3.22Å
714	D	95.6	Very high	95.2	Very high	12 Å²	12	29.5 Å²	29.5	6%	0.064	15%	0.145	C	C	.	.			trans	-154.1	41.3	172.4	-157.4	32.7	0	0	0	114.4	H712 K716 S751	H712-D714 PolarHBondContact O-N 3.34Å; D714-K716 PolarHBondContact O-N 2.68Å; D714-K716 IonicContact OD1-NZ 3.65Å; D714-K716 WeakPolarHBondContact OD2-CE 3.46Å; D714-K716 IonicContact OD2-NZ 3.52Å; D714-K716 PolarHBondContact OD2-NZ 3.28Å; D714-S751 WeakPolarHBondContact OD1-CB 3.44Å; D714-S751 PolarHBondContact OD1-N 2.93Å; D714-S751 PolarHBondContact OD1-OG 3.21Å
715	I	97.6	Very high	94.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.175	C	C	.	.			trans	-75.3	113.6	-177.9	-55.1	-174.6	0	0	0	111	L698 L702 H712 I720 L731 D770	L698-I715 HydrophobicContact CD1-CG2 4.25Å; L702-I715 HydrophobicContact CD2-CD1 3.42Å; L702-I715 VanDerWaalsContact CD2-CD1 3.42Å; H712-I715 HydrophobicContact CB-CD1 4.06Å; H712-I715 HydrophobicContact CB-CG1 3.87Å; I715-I720 HydrophobicContact CG2-CD1 4.19Å; I715-L731 HydrophobicContact CD1-CD1 4.46Å; I715-L731 HydrophobicContact CD1-CD2 4.11Å; I715-L731 HydrophobicContact CG1-CD1 4.23Å; I715-L731 HydrophobicContact CG2-CD1 4.18Å; I715-D770 HydrophobicContact CD1-CB 3.69Å
716	K	96.3	Very high	94.6	Very high	35 Å²	35	37.8 Å²	37.8	15%	0.152	19%	0.189	C	C	.	.	S	Bend	trans	-149.9	162.5	-179	65.1	-158	-175.4	-160.9	0	110.7	D714 D718 N719 I720 S751 Y754	D714-K716 PolarHBondContact O-N 2.68Å; D714-K716 IonicContact OD1-NZ 3.65Å; D714-K716 WeakPolarHBondContact OD2-CE 3.46Å; D714-K716 IonicContact OD2-NZ 3.52Å; D714-K716 PolarHBondContact OD2-NZ 3.28Å; K716-D718 HydrophobicContact CD-CB 4.5Å; K716-D718 HydrophobicContact CG-CB 4.04Å; K716-D718 PolarHBondContact O-N 3.02Å; K716-N719 WeakPolarHBondContact CE-OD1 3.46Å; K716-N719 HydrophobicContact CG-CB 4.11Å; K716-N719 PolarHBondContact O-N 3.18Å; K716-I720 PolarHBondContact O-N 3.43Å; K716-S751 WeakPolarHBondContact CD-OG 3.22Å; K716-S751 PolarHBondContact NZ-OG 3.03Å; K716-Y754 HydrophobicContact CB-CD1 4.25Å; K716-Y754 HydrophobicContact CB-CD2 3.69Å; K716-Y754 HydrophobicContact CB-CE1 4.18Å; K716-Y754 HydrophobicContact CB-CE2 3.57Å; K716-Y754 HydrophobicContact CB-CG 4.06Å
717	P	95.6	Very high	94.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-56.9	-23.4	179.2	-23.3	31.4	0	0	0	114.8	L673 R674 Y754 T777 E780	L673-P717 CarbonylContact C-O 3.58Å; L673-P717 WeakPolarHBondContact CA-O 3.46Å; L673-P717 HydrophobicContact CB-CB 4.12Å; L673-P717 WeakPolarHBondContact CB-O 3.03Å; L673-P717 PolarHBondContact N-O 3.42Å; R674-P717 HydrophobicContact CB-CB 4.39Å; R674-P717 PolarHBondContact N-O 3.07Å; P717-Y754 WeakPolarHBondContact CD-OH 3.46Å; P717-T777 HydrophobicContact CG-CG2 4.16Å; P717-E780 HydrophobicContact CG-CG 4.39Å; P717-E780 WeakPolarHBondContact CG-OE2 3.35Å
718	D	93.6	Very high	94.3	Very high	58 Å²	58	35.6 Å²	35.6	31%	0.31	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-75.1	-30.5	178.8	-43.9	-100.1	0	0	0	111.6	N672 R674 K716	N672-D718 WeakPolarHBondContact CB-O 3.19Å; R674-D718 HydrophobicContact CB-CB 4.41Å; R674-D718 VanDerWaalsContact CB-OD1 3.28Å; R674-D718 WeakPolarHBondContact CB-OD1 3.33Å; R674-D718 WeakPolarHBondContact CD-OD1 3.46Å; R674-D718 WeakPolarHBondContact CG-OD1 3.41Å; R674-D718 IonicContact CZ-OD1 2.91Å; R674-D718 IonicContact CZ-OD2 2.7Å; R674-D718 IonicContact NE-OD1 3.27Å; R674-D718 PolarHBondContact NE-OD1 2.85Å; R674-D718 IonicContact NE-OD2 2.88Å; R674-D718 PolarHBondContact NE-OD2 3.29Å; R674-D718 IonicContact NH2-OD1 2.8Å; R674-D718 IonicContact NH2-OD2 3.52Å; R674-D718 PolarHBondContact NH2-OD2 3.07Å; K716-D718 HydrophobicContact CD-CB 4.5Å; K716-D718 HydrophobicContact CG-CB 4.04Å; K716-D718 PolarHBondContact O-N 3.02Å
719	N	95.4	Very high	94.3	Very high	14 Å²	14	34.8 Å²	34.8	8%	0.075	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-101.3	22.5	-179.8	-69.4	22.8	0	0	0	112.5	K716 C732 D733	K716-N719 WeakPolarHBondContact CE-OD1 3.46Å; K716-N719 HydrophobicContact CG-CB 4.11Å; K716-N719 PolarHBondContact O-N 3.18Å; N719-C732 PolarHBondContact O-N 2.95Å; N719-C732 PolarHBondContact O-SG 3.32Å; N719-D733 PolarHBondContact ND2-OD2 3.3Å
720	I	96.8	Very high	94.4	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	115.5	171.4	-58.8	169.7	0	0	0	108.1	N672 L673 L698 I715 K716 L729 L731 T777	N672-I720 CarbonylContact C-O 3.45Å; N672-I720 VanDerWaalsContact CA-O 3.29Å; N672-I720 WeakPolarHBondContact CA-O 3.45Å; L673-I720 HydrophobicContact CD1-CB 3.82Å; L673-I720 HydrophobicContact CD1-CD1 4.37Å; L673-I720 HydrophobicContact CD1-CG2 3.44Å; L673-I720 VanDerWaalsContact CD1-CG2 3.44Å; L673-I720 HydrophobicContact CG-CB 4.23Å; L673-I720 HydrophobicContact CG-CG2 4.01Å; L673-I720 PolarHBondContact N-O 3.03Å; L698-I720 HydrophobicContact CD1-CD1 4.02Å; L698-I720 HydrophobicContact CD2-CD1 4.22Å; I715-I720 HydrophobicContact CG2-CD1 4.19Å; K716-I720 PolarHBondContact O-N 3.43Å; I720-L729 HydrophobicContact CG2-CB 3.91Å; I720-L729 HydrophobicContact CG2-CD1 4.03Å; I720-L729 HydrophobicContact CG2-CD2 4.14Å; I720-L729 HydrophobicContact CG2-CG 4.25Å; I720-L731 HydrophobicContact CD1-CD1 4.49Å; I720-L731 HydrophobicContact CG1-CD1 3.8Å; I720-T777 HydrophobicContact CD1-CG2 3.84Å
721	L	95.6	Very high	94.5	Very high	39 Å²	39	34.1 Å²	34.1	20%	0.204	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	154.8	-179.4	-68.3	168.3	0	0	0	111	L669 M671 N672 L729 K730 C732	L669-L721 HydrophobicContact CB-CB 4.05Å; L669-L721 HydrophobicContact CB-CD1 4.37Å; L669-L721 HydrophobicContact CD1-CB 3.53Å; L669-L721 HydrophobicContact CD1-CD1 3.85Å; L669-L721 HydrophobicContact CD1-CG 4.34Å; L669-L721 HydrophobicContact CG-CB 4.41Å; M671-L721 WeakPolarHBondContact O-CA 3.2Å; N672-L721 HydrophobicContact CB-CD2 4.06Å; L721-L729 CarbonylContact O-C 3.5Å; L721-L729 WeakPolarHBondContact O-CA 3.14Å; L721-K730 PolarHBondContact N-O 3.04Å; L721-K730 PolarHBondContact O-N 2.99Å; L721-C732 HydrophobicContact CD1-CB 4.06Å
722	V	95.2	Very high	94.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	152.9	173.4	-68.9	0	0	0	0	112.4	A670 M671 L673 V676 Y694 N726 I728 L729	A670-V722 PolarHBondContact N-O 2.87Å; M671-V722 HydrophobicContact CG-CG2 3.84Å; M671-V722 WeakPolarHBondContact O-CG2 3.36Å; M671-V722 PolarHBondContact O-N 2.9Å; L673-V722 HydrophobicContact CD2-CG1 3.47Å; L673-V722 VanDerWaalsContact CD2-CG1 3.47Å; L673-V722 HydrophobicContact CG-CG1 4.15Å; V676-V722 HydrophobicContact CG2-CG2 3.79Å; Y694-V722 HydrophobicContact CE1-CG1 4.44Å; V722-N726 WeakPolarHBondContact CG2-OD1 3.2Å; V722-I728 WeakPolarHBondContact CA-O 3.33Å; V722-L729 HydrophobicContact CG1-CB 4.06Å
723	N	92.9	Very high	94.2	Very high	35 Å²	35	36.3 Å²	36.3	19%	0.187	19%	0.186	C	C	.	.			trans	-71.1	167.2	170.8	73.8	-13.8	0	0	0	112.2	L669 N725 N726 L727 I728	L669-N723 HydrophobicContact CD2-CB 4.44Å; N723-N725 PolarHBondContact O-N 2.98Å; N723-N725 VanDerWaalsContact O-N 3.09Å; N723-N726 PolarHBondContact O-N 3.08Å; N723-N726 PolarHBondContact OD1-N 2.83Å; N723-L727 PolarHBondContact OD1-N 3.32Å; N723-I728 HydrophobicContact CB-CB 4.48Å; N723-I728 PolarHBondContact N-O 3.38Å; N723-I728 PolarHBondContact OD1-N 3.47Å; N723-I728 PolarHBondContact OD1-O 3.01Å
724	E	89.6	Confident	94.1	Very high	151 Å²	151	36.3 Å²	36.3	71%	0.706	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-32.3	-176.7	-61.7	-179.7	162.1	0	0	113.5	A670 N726	A670-E724 HydrophobicContact CB-CB 4.47Å; A670-E724 HydrophobicContact CB-CG 4.04Å; E724-N726 VanDerWaalsContact C-N 3.33Å; E724-N726 PolarHBondContact O-N 3.05Å; E724-N726 PolarHBondContact O-ND2 3.46Å
725	N	88.8	Confident	93.7	Very high	117 Å²	117	36.6 Å²	36.6	63%	0.626	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-7.7	179	-65.1	-18.9	0	0	0	114	N723 L727	N723-N725 PolarHBondContact O-N 2.98Å; N723-N725 VanDerWaalsContact O-N 3.09Å; N725-L727 HydrophobicContact CB-CB 4.46Å; N725-L727 HydrophobicContact CB-CD1 4.12Å; N725-L727 HydrophobicContact CB-CG 4.02Å; N725-L727 PolarHBondContact O-N 2.82Å
726	N	89.8	Confident	93.4	Very high	58 Å²	58	38.9 Å²	38.9	31%	0.31	21%	0.208	S	C	.	.	S	Bend	trans	54.3	36	-172.6	-49.9	-82.8	0	0	0	113.2	Y694 V722 N723 E724	Y694-N726 PolarHBondContact OH-O 3.03Å; V722-N726 WeakPolarHBondContact CG2-OD1 3.2Å; N723-N726 PolarHBondContact O-N 3.08Å; N723-N726 PolarHBondContact OD1-N 2.83Å; E724-N726 VanDerWaalsContact C-N 3.33Å; E724-N726 PolarHBondContact O-N 3.05Å; E724-N726 PolarHBondContact O-ND2 3.46Å
727	L	90.2	Very high	93.2	Very high	115 Å²	115	37.6 Å²	37.6	60%	0.602	20%	0.204	S	C	*	.	S	Bend	trans	-109.4	-32.9	180	-66	-179.1	0	0	0	112.7	Q697 N723 N725	Q697-L727 PolarHBondContact NE2-O 3.46Å; N723-L727 PolarHBondContact OD1-N 3.32Å; N725-L727 HydrophobicContact CB-CB 4.46Å; N725-L727 HydrophobicContact CB-CD1 4.12Å; N725-L727 HydrophobicContact CB-CG 4.02Å; N725-L727 PolarHBondContact O-N 2.82Å
728	I	94.1	Very high	93.1	Very high	75 Å²	75	38.8 Å²	38.8	39%	0.385	21%	0.212	S	C	.	.			trans	-114.8	127.7	-179.2	-56.5	177	0	0	0	107.9	V722 N723	V722-I728 WeakPolarHBondContact CA-O 3.33Å; N723-I728 HydrophobicContact CB-CB 4.48Å; N723-I728 PolarHBondContact N-O 3.38Å; N723-I728 PolarHBondContact OD1-N 3.47Å; N723-I728 PolarHBondContact OD1-O 3.01Å
729	L	95.9	Very high	93	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	157	166.5	72.3	78.6	0	0	0	111.7	H648 Y694 Q697 I720 L721 V722	H648-L729 HydrophobicContact CB-CD1 4.26Å; H648-L729 PolarHBondContact ND1-O 3.2Å; Y694-L729 HydrophobicContact CD1-CD2 3.94Å; Y694-L729 HydrophobicContact CG-CD2 3.9Å; Q697-L729 HydrophobicContact CB-CD1 4Å; Q697-L729 HydrophobicContact CB-CD2 4.03Å; Q697-L729 HydrophobicContact CB-CG 3.72Å; I720-L729 HydrophobicContact CG2-CB 3.91Å; I720-L729 HydrophobicContact CG2-CD1 4.03Å; I720-L729 HydrophobicContact CG2-CD2 4.14Å; I720-L729 HydrophobicContact CG2-CG 4.25Å; L721-L729 CarbonylContact O-C 3.5Å; L721-L729 WeakPolarHBondContact O-CA 3.14Å; V722-L729 HydrophobicContact CG1-CB 4.06Å
730	K	97.1	Very high	92.7	Very high	5 Å²	5	39.5 Å²	39.5	2%	0.022	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	133.4	168	-61.2	-63.4	-174	113.7	0	109.6	D645 H648 E667 L669 L721	D645-K730 IonicContact OD1-NZ 3.53Å; D645-K730 PolarHBondContact OD1-NZ 3.49Å; D645-K730 IonicContact OD2-NZ 2.68Å; D645-K730 PolarHBondContact OD2-NZ 3.19Å; H648-K730 CarbonylContact O-C 3.59Å; H648-K730 VanDerWaalsContact O-CA 3.32Å; H648-K730 WeakPolarHBondContact O-CA 3.48Å; E667-K730 WeakPolarHBondContact OE1-CE 3.44Å; E667-K730 IonicContact OE1-NZ 2.7Å; E667-K730 PolarHBondContact OE1-NZ 3.39Å; E667-K730 WeakPolarHBondContact OE2-CE 3.39Å; E667-K730 IonicContact OE2-NZ 2.78Å; E667-K730 PolarHBondContact OE2-NZ 3.46Å; E667-K730 VanDerWaalsContact OE2-NZ 3.12Å; L669-K730 HydrophobicContact CD1-CB 3.69Å; L669-K730 HydrophobicContact CD1-CG 3.71Å; L669-K730 HydrophobicContact CD2-CG 4.18Å; L721-K730 PolarHBondContact N-O 3.04Å; L721-K730 PolarHBondContact O-N 2.99Å
731	L	97.4	Very high	92.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	132.1	170	-173.6	60.7	0	0	0	109.3	H648 L650 L698 A701 L705 H712 I715 I720	H648-L731 PolarHBondContact O-N 2.98Å; L650-L731 WeakPolarHBondContact CB-O 3.35Å; L650-L731 PolarHBondContact N-O 3.06Å; L698-L731 HydrophobicContact CD1-CD1 4.31Å; L698-L731 HydrophobicContact CD1-CD2 4.39Å; A701-L731 HydrophobicContact CB-CB 4.01Å; A701-L731 HydrophobicContact CB-CD2 3.74Å; L705-L731 HydrophobicContact CD1-CD2 3.85Å; H712-L731 VanDerWaalsContact CD2-CG 3.45Å; H712-L731 WeakPolarHBondContact CD2-CG 3.28Å; I715-L731 HydrophobicContact CD1-CD1 4.46Å; I715-L731 HydrophobicContact CD1-CD2 4.11Å; I715-L731 HydrophobicContact CG1-CD1 4.23Å; I715-L731 HydrophobicContact CG2-CD1 4.18Å; I720-L731 HydrophobicContact CD1-CD1 4.49Å; I720-L731 HydrophobicContact CG1-CD1 3.8Å
732	C	94.3	Very high	91.7	Very high	9 Å²	9	47.2 Å²	47.2	6%	0.061	27%	0.268	C	S	.	.			trans	-145.4	172.6	-168.9	65.6	0	0	0	0	113.4	L650 H712 N719 L721	L650-C732 HydrophobicContact CB-CB 3.97Å; L650-C732 HydrophobicContact CD2-CB 3.73Å; L650-C732 HydrophobicContact CG-CB 4.34Å; H712-C732 PolarHBondContact CE1-O 2.87Å; H712-C732 PolarHBondContact NE2-O 3.34Å; N719-C732 PolarHBondContact O-N 2.95Å; N719-C732 PolarHBondContact O-SG 3.32Å; L721-C732 HydrophobicContact CD1-CB 4.06Å
733	D	90.8	Very high	91.1	Very high	36 Å²	36	49.1 Å²	49.1	19%	0.193	28%	0.278	C	S	.	.			trans	67.3	76.5	-179.8	-162.5	37.4	0	0	0	112.2	K616 H712 N719 G735	K616-D733 IonicContact NZ-OD1 3.32Å; K616-D733 PolarHBondContact NZ-OD1 2.84Å; H712-D733 PolarHBondContact CE1-O 3.23Å; N719-D733 PolarHBondContact ND2-OD2 3.3Å; D733-G735 VanDerWaalsContact C-N 3.28Å; D733-G735 PolarHBondContact O-N 3.05Å
734	F	93.1	Very high	90.8	Very high	1 Å²	1	53.5 Å²	53.5	0%	0.004	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-92.9	19.6	-177.4	-60.5	-83	0	0	0	112.1	E631 I634 L635 L638 C649 L705 H712 S736 A737	E631-F734 HydrophobicContact CG-CB 4.17Å; E631-F734 PolarHBondContact OE1-N 2.87Å; I634-F734 HydrophobicContact CG2-CB 3.88Å; I634-F734 HydrophobicContact CG2-CD1 4.16Å; I634-F734 HydrophobicContact CG2-CG 4.06Å; L635-F734 HydrophobicContact CD2-CD2 3.59Å; L635-F734 HydrophobicContact CD2-CE2 3.76Å; L635-F734 HydrophobicContact CG-CD2 4.02Å; L638-F734 HydrophobicContact CD1-CD1 4.21Å; L638-F734 HydrophobicContact CD1-CE1 3.83Å; L638-F734 HydrophobicContact CD1-CE2 4.29Å; L638-F734 HydrophobicContact CD1-CZ 3.87Å; C649-F734 HydrophobicContact CB-CZ 4.35Å; L705-F734 HydrophobicContact CD2-CE1 4.05Å; H712-F734 AromaticContact CD2-CD1 3.93Å; H712-F734 AromaticContact CD2-CE1 3.58Å; F734-S736 VanDerWaalsContact C-N 3.27Å; F734-S736 PolarHBondContact O-N 2.98Å; F734-A737 HydrophobicContact CB-CB 3.9Å; F734-A737 HydrophobicContact CD1-CB 4.17Å; F734-A737 VanDerWaalsContact O-CB 3.27Å; F734-A737 WeakPolarHBondContact O-CB 3.12Å; F734-A737 PolarHBondContact O-N 2.87Å; F734-A737 VanDerWaalsContact O-N 3.12Å
735	G	88.1	Confident	90.7	Very high	19 Å²	19	48.6 Å²	48.6	20%	0.196	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-61.3	-32.5	176.3	0	0	0	0	0	113.6	T627 D733	T627-G735 WeakPolarHBondContact CG2-O 3.24Å; D733-G735 VanDerWaalsContact C-N 3.28Å; D733-G735 PolarHBondContact O-N 3.05Å
736	S	90.4	Very high	90.8	Very high	48 Å²	48	45.1 Å²	45.1	34%	0.336	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-92.8	7.3	175.5	-50.7	0	0	0	0	113.8	F734	F734-S736 VanDerWaalsContact C-N 3.27Å; F734-S736 PolarHBondContact O-N 2.98Å
737	A	93.1	Very high	90.7	Very high	7 Å²	7	43 Å²	43	6%	0.058	25%	0.249	C	C	.	.			trans	-84.8	145	-175.3	0	0	0	0	0	112.1	I634 I710 L711 F734	I634-A737 HydrophobicContact CD1-CB 3.73Å; I634-A737 WeakPolarHBondContact CD1-O 3.49Å; I634-A737 HydrophobicContact CG2-CB 4.41Å; I710-A737 HydrophobicContact CG2-CB 4.3Å; L711-A737 WeakPolarHBondContact O-CA 3.24Å; L711-A737 WeakPolarHBondContact O-CB 3.09Å; F734-A737 HydrophobicContact CB-CB 3.9Å; F734-A737 HydrophobicContact CD1-CB 4.17Å; F734-A737 VanDerWaalsContact O-CB 3.27Å; F734-A737 WeakPolarHBondContact O-CB 3.12Å; F734-A737 PolarHBondContact O-N 2.87Å; F734-A737 VanDerWaalsContact O-N 3.12Å
738	S	92.1	Very high	90.8	Very high	25 Å²	25	43.8 Å²	43.8	18%	0.175	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	162.1	-179.7	68.2	0	0	0	0	111.8	I710 L711	I710-S738 WeakPolarHBondContact CA-O 3.49Å; L711-S738 PolarHBondContact N-O 3.24Å; L711-S738 PolarHBondContact O-N 2.89Å; L711-S738 VanDerWaalsContact O-N 3.08Å
739	A	91.6	Very high	90.6	Very high	24 Å²	24	41.9 Å²	41.9	20%	0.198	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	151.4	160.7	0	0	0	0	0	109.7	G709 S741 D742 N743	G709-A739 WeakPolarHBondContact O-CA 3.38Å; A739-S741 WeakPolarHBondContact CB-OG 3.42Å; A739-S741 PolarHBondContact O-N 2.9Å; A739-S741 VanDerWaalsContact O-N 3.12Å; A739-D742 WeakPolarHBondContact CB-OD2 3.29Å; A739-D742 PolarHBondContact N-OD2 3.41Å; A739-D742 PolarHBondContact O-N 3.49Å; A739-N743 PolarHBondContact O-OD1 2.89Å
740	I	89.9	Confident	90.6	Very high	64 Å²	64	42.3 Å²	42.3	33%	0.328	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-65	-15.1	-179.1	-166.2	162.4	0	0	0	114	G709 D742 D766 Y767	G709-I740 PolarHBondContact O-N 3.09Å; I740-D742 VanDerWaalsContact C-N 3.29Å; I740-D766 HydrophobicContact CD1-CB 4.05Å; I740-Y767 HydrophobicContact CD1-CD2 3.99Å; I740-Y767 HydrophobicContact CD1-CE1 4.33Å; I740-Y767 HydrophobicContact CD1-CE2 3.33Å
741	S	86.7	Confident	90.5	Very high	98 Å²	98	43.8 Å²	43.8	69%	0.685	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-68.4	-27	169.4	40.2	0	0	0	0	113.1	A739 N743	A739-S741 WeakPolarHBondContact CB-OG 3.42Å; A739-S741 PolarHBondContact O-N 2.9Å; A739-S741 VanDerWaalsContact O-N 3.12Å; S741-N743 VanDerWaalsContact C-N 3.34Å; S741-N743 PolarHBondContact O-N 3.4Å
742	D	85.2	Confident	90.4	Very high	104 Å²	104	48.4 Å²	48.4	56%	0.556	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-102.7	25.1	-164.6	-35.9	-23.8	0	0	0	110.7	A739 I740 E744	A739-D742 WeakPolarHBondContact CB-OD2 3.29Å; A739-D742 PolarHBondContact N-OD2 3.41Å; A739-D742 PolarHBondContact O-N 3.49Å; I740-D742 VanDerWaalsContact C-N 3.29Å; D742-E744 PolarHBondContact O-N 3.39Å; D742-E744 VanDerWaalsContact O-N 3.14Å
743	N	83.1	Confident	90.5	Very high	39 Å²	39	51.2 Å²	51.2	21%	0.209	28%	0.277	C	S	.	.			trans	-81.4	91.6	-169.1	-81.9	3.7	0	0	0	112.8	L711 A739 S741 Y765	L711-N743 WeakPolarHBondContact CD1-OD1 3.48Å; A739-N743 PolarHBondContact O-OD1 2.89Å; S741-N743 VanDerWaalsContact C-N 3.34Å; S741-N743 PolarHBondContact O-N 3.4Å; N743-Y765 HydrophobicContact CB-CE2 4.12Å; N743-Y765 WeakPolarHBondContact ND2-CE2 3.46Å; N743-Y765 PolarHBondContact ND2-O 2.75Å; N743-Y765 VanDerWaalsContact ND2-O 3.12Å
744	E	85.2	Confident	90.9	Very high	127 Å²	127	49.9 Å²	49.9	59%	0.593	27%	0.27	S	S	*	.			trans	-76	137	170.6	-163	-169.4	161.3	0	0	112.7	D742 T746 Y765	D742-E744 PolarHBondContact O-N 3.39Å; D742-E744 VanDerWaalsContact O-N 3.14Å; E744-T746 PolarHBondContact O-N 3.31Å; E744-Y765 WeakPolarHBondContact O-CE1 3.46Å; E744-Y765 PolarHBondContact O-OH 3.45Å
745	I	88.9	Confident	91.1	Very high	48 Å²	48	50.5 Å²	50.5	25%	0.246	27%	0.272	C	S	.	.			trans	-84.8	78	-177.3	-54.8	177.4	0	0	0	110.4	P764 F817	I745-P764 HydrophobicContact CD1-CG 4.05Å; I745-F817 HydrophobicContact CG2-CE2 4.14Å; I745-F817 HydrophobicContact CG2-CZ 4.4Å; I745-F817 WeakPolarHBondContact O-CZ 3.42Å
746	T	90.4	Very high	91.5	Very high	44 Å²	44	49.6 Å²	49.6	27%	0.27	26%	0.262	S	S	.	.			trans	-104.8	135	174.8	172.4	0	0	0	0	112.6	E744 Y748 L749	E744-T746 PolarHBondContact O-N 3.31Å; T746-Y748 PolarHBondContact O-N 3.32Å; T746-Y748 VanDerWaalsContact O-N 3.16Å; T746-Y748 PolarHBondContact OG1-N 2.99Å; T746-L749 HydrophobicContact CG2-CB 4.11Å
747	P	87.9	Confident	91.8	Very high	15 Å²	15	47.3 Å²	47.3	10%	0.097	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	1.5	179.9	31.8	-33.7	0	0	0	113.7	R755 N793 F817	P747-R755 PolarHBondContact O-NH1 3.49Å; P747-N793 PolarHBondContact O-ND2 2.82Å; P747-F817 HydrophobicContact CB-CD2 3.68Å; P747-F817 HydrophobicContact CB-CE2 3.8Å; P747-F817 HydrophobicContact CB-CG 4.47Å; P747-F817 HydrophobicContact CG-CD2 4.13Å; P747-F817 HydrophobicContact CG-CE2 3.91Å; P747-F817 HydrophobicContact CG-CZ 4.31Å
748	Y	90.8	Very high	91.9	Very high	130 Å²	130	47 Å²	47	51%	0.51	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	0.8	-173.6	-58.8	-50.4	0	0	0	115.4	T746 R755	T746-Y748 PolarHBondContact O-N 3.32Å; T746-Y748 VanDerWaalsContact O-N 3.16Å; T746-Y748 PolarHBondContact OG1-N 2.99Å; Y748-R755 VanDerWaalsContact C-NH2 3.34Å; Y748-R755 PolarHBondContact O-NH2 3.09Å
749	L	91.6	Very high	92.1	Very high	35 Å²	35	46 Å²	46	18%	0.183	24%	0.236	C	C	.	.			trans	-58.3	149.9	168.5	-166.3	65.1	0	0	0	111.5	A713 T746 R755 I759 Y765 I769	A713-L749 HydrophobicContact CB-CD1 3.85Å; A713-L749 HydrophobicContact CB-CD2 3.98Å; A713-L749 HydrophobicContact CB-CG 3.9Å; T746-L749 HydrophobicContact CG2-CB 4.11Å; L749-R755 WeakPolarHBondContact O-CD 3.28Å; L749-R755 PolarHBondContact O-NE 3.44Å; L749-I759 HydrophobicContact CB-CD1 4.37Å; L749-I759 HydrophobicContact CB-CG2 4.11Å; L749-I759 HydrophobicContact CD2-CD1 3.98Å; L749-Y765 HydrophobicContact CD2-CE2 3.84Å; L749-I769 HydrophobicContact CD2-CD1 4.02Å
750	V	94.2	Very high	92.4	Very high	10 Å²	10	44.8 Å²	44.8	6%	0.061	23%	0.227	C	C	.	.	S	Bend	trans	65.7	135.7	-176.3	-159.5	0	0	0	0	114.8	A713 R752 R755 I769	A713-V750 WeakPolarHBondContact O-CA 3.28Å; A713-V750 WeakPolarHBondContact O-CB 3.34Å; A713-V750 WeakPolarHBondContact O-CG2 3.2Å; A713-V750 PolarHBondContact O-N 2.54Å; V750-R752 PolarHBondContact O-N 3.03Å; V750-R755 HydrophobicContact CB-CB 4.18Å; V750-R755 HydrophobicContact CB-CG 4.38Å; V750-R755 VanDerWaalsContact O-CZ 3.3Å; V750-R755 PolarHBondContact O-NE 3.11Å; V750-R755 PolarHBondContact O-NH2 2.8Å; V750-I769 HydrophobicContact CG2-CD1 4.41Å
751	S	95.3	Very high	92.7	Very high	37 Å²	37	41.8 Å²	41.8	26%	0.259	21%	0.211	S	C	.	.			trans	-48.3	122.6	168.4	-71.4	0	0	0	0	111.6	D714 K716 F753 Y754 R755	D714-S751 WeakPolarHBondContact OD1-CB 3.44Å; D714-S751 PolarHBondContact OD1-N 2.93Å; D714-S751 PolarHBondContact OD1-OG 3.21Å; K716-S751 WeakPolarHBondContact CD-OG 3.22Å; K716-S751 PolarHBondContact NZ-OG 3.03Å; S751-F753 VanDerWaalsContact C-N 3.31Å; S751-F753 PolarHBondContact O-N 2.74Å; S751-Y754 PolarHBondContact O-N 3.44Å; S751-R755 PolarHBondContact O-N 3.14Å
752	R	96	Very high	93.1	Very high	97 Å²	97	37.1 Å²	37.1	37%	0.366	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44	-44.9	-163.3	-170.4	-174.1	-60.1	116.9	5.3	115.7	V750 Y754 R755 G790 K791 M796	V750-R752 PolarHBondContact O-N 3.03Å; R752-Y754 PolarHBondContact O-N 3.27Å; R752-R755 VanDerWaalsContact O-CB 3.28Å; R752-R755 WeakPolarHBondContact O-CB 3.35Å; R752-R755 PolarHBondContact O-N 3.11Å; R752-G790 VanDerWaalsContact CD-O 3.22Å; R752-G790 WeakPolarHBondContact CD-O 3.27Å; R752-K791 PolarHBondContact NH1-O 3.13Å; R752-M796 HydrophobicContact CG-CG 3.96Å; R752-M796 HydrophobicContact CG-SD 4.24Å; R752-M796 WeakPolarHBondContact O-CE 3.48Å
753	F	97.3	Very high	93.5	Very high	67 Å²	67	32.8 Å²	32.8	29%	0.294	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-18	-176.4	-53.6	-40.2	0	0	0	114.5	S751 I786 F788 G790 M796	S751-F753 VanDerWaalsContact C-N 3.31Å; S751-F753 PolarHBondContact O-N 2.74Å; F753-I786 HydrophobicContact CB-CG2 3.75Å; F753-I786 HydrophobicContact CD2-CD1 3.91Å; F753-I786 HydrophobicContact CD2-CG2 4.14Å; F753-I786 HydrophobicContact CE2-CD1 4.04Å; F753-I786 HydrophobicContact CG-CG2 3.91Å; F753-F788 VanDerWaalsContact CD1-O 3.27Å; F753-F788 WeakPolarHBondContact CD1-O 3.41Å; F753-G790 WeakPolarHBondContact CE1-O 3.38Å; F753-M796 HydrophobicContact CD1-SD 4.36Å
754	Y	97.7	Very high	94	Very high	9 Å²	9	35.3 Å²	35.3	4%	0.035	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	-9.9	179.2	-50.9	-85.4	0	0	0	111.9	R674 K716 P717 S751 R752 W772 S773 C776 E780	R674-Y754 PolarHBondContact NH2-OH 2.82Å; K716-Y754 HydrophobicContact CB-CD1 4.25Å; K716-Y754 HydrophobicContact CB-CD2 3.69Å; K716-Y754 HydrophobicContact CB-CE1 4.18Å; K716-Y754 HydrophobicContact CB-CE2 3.57Å; K716-Y754 HydrophobicContact CB-CG 4.06Å; P717-Y754 WeakPolarHBondContact CD-OH 3.46Å; S751-Y754 PolarHBondContact O-N 3.44Å; R752-Y754 PolarHBondContact O-N 3.27Å; Y754-W772 VanDerWaalsContact O-CD1 3.26Å; Y754-S773 PolarHBondContact O-OG 2.77Å; Y754-S773 VanDerWaalsContact O-OG 3.14Å; Y754-C776 HydrophobicContact CD1-CB 3.71Å; Y754-C776 HydrophobicContact CE1-CB 4.35Å; Y754-E780 WeakPolarHBondContact CE1-OE2 3.34Å; Y754-E780 PolarHBondContact OH-OE2 3.49Å
755	R	97.3	Very high	94.5	Very high	13 Å²	13	30.3 Å²	30.3	5%	0.049	15%	0.15	C	C	.	.			trans	-58.5	142.6	178.1	-169.3	177.1	-65	166.7	-3.4	112	P747 Y748 L749 V750 S751 R752 I759 I760 W772 N793 F800	P747-R755 PolarHBondContact O-NH1 3.49Å; Y748-R755 VanDerWaalsContact C-NH2 3.34Å; Y748-R755 PolarHBondContact O-NH2 3.09Å; L749-R755 WeakPolarHBondContact O-CD 3.28Å; L749-R755 PolarHBondContact O-NE 3.44Å; V750-R755 HydrophobicContact CB-CB 4.18Å; V750-R755 HydrophobicContact CB-CG 4.38Å; V750-R755 VanDerWaalsContact O-CZ 3.3Å; V750-R755 PolarHBondContact O-NE 3.11Å; V750-R755 PolarHBondContact O-NH2 2.8Å; S751-R755 PolarHBondContact O-N 3.14Å; R752-R755 VanDerWaalsContact O-CB 3.28Å; R752-R755 WeakPolarHBondContact O-CB 3.35Å; R752-R755 PolarHBondContact O-N 3.11Å; R755-I759 HydrophobicContact CG-CB 3.96Å; R755-I759 HydrophobicContact CG-CG2 3.8Å; R755-I760 HydrophobicContact CG-CD1 4.29Å; R755-I760 HydrophobicContact CG-CG1 3.87Å; R755-W772 PolarHBondContact O-NE1 3.2Å; R755-N793 PolarHBondContact NH1-OD1 2.95Å; R755-F800 WeakPolarHBondContact O-CZ 3.48Å
756	S	96.9	Very high	94.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.151	C	C	.	.			trans	-94.6	160.2	-178.4	69.1	0	0	0	0	112.9	E758 I759 I760	S756-E758 VanDerWaalsContact C-N 3.32Å; S756-E758 WeakPolarHBondContact CB-OE1 3.33Å; S756-E758 PolarHBondContact O-N 3.33Å; S756-E758 PolarHBondContact OG-OE1 2.7Å; S756-I759 PolarHBondContact O-N 3.11Å; S756-I760 PolarHBondContact O-N 3.23Å
757	P	96.6	Very high	94.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.9	-34.8	-178.9	21.4	-31.9	0	0	0	113.4	I759 I760 L761 W772 L797 F800 L885	P757-I759 PolarHBondContact O-N 3.11Å; P757-I760 PolarHBondContact O-N 3.49Å; P757-L761 WeakPolarHBondContact O-CB 3.4Å; P757-L761 VanDerWaalsContact O-CG 3.25Å; P757-L761 WeakPolarHBondContact O-CG 3.45Å; P757-L761 PolarHBondContact O-N 3.03Å; P757-W772 HydrophobicContact CG-CE3 4.42Å; P757-W772 HydrophobicContact CG-CH2 4.1Å; P757-W772 HydrophobicContact CG-CZ3 4.01Å; P757-L797 HydrophobicContact CB-CD2 4.26Å; P757-F800 HydrophobicContact CB-CD2 3.89Å; P757-F800 HydrophobicContact CB-CE2 3.99Å; P757-F800 HydrophobicContact CG-CD2 4.36Å; P757-F800 HydrophobicContact CG-CE2 4.45Å; P757-L885 HydrophobicContact CG-CD2 4.35Å
758	E	96.3	Very high	95.3	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.009	14%	0.144	C	C	.	.	H	α-helix	trans	-63.2	-37.2	178.4	57.9	-80.8	176.8	0	0	113.5	S756 G762 I763 I769 P887 R890	S756-E758 VanDerWaalsContact C-N 3.32Å; S756-E758 WeakPolarHBondContact CB-OE1 3.33Å; S756-E758 PolarHBondContact O-N 3.33Å; S756-E758 PolarHBondContact OG-OE1 2.7Å; E758-G762 PolarHBondContact O-N 3.01Å; E758-I763 HydrophobicContact CB-CB 4Å; E758-I763 HydrophobicContact CB-CG2 4.4Å; E758-I763 PolarHBondContact O-N 3.08Å; E758-I769 HydrophobicContact CG-CG2 4.2Å; E758-P887 HydrophobicContact CB-CG 4.41Å; E758-P887 HydrophobicContact CG-CG 4.44Å; E758-R890 IonicContact OE1-CZ 3.57Å; E758-R890 IonicContact OE1-NH1 2.83Å; E758-R890 PolarHBondContact OE1-NH1 3.24Å; E758-R890 IonicContact OE1-NH2 3.59Å; E758-R890 PolarHBondContact OE1-NH2 3.27Å; E758-R890 IonicContact OE2-CZ 3.97Å; E758-R890 IonicContact OE2-NH1 2.81Å; E758-R890 IonicContact OE2-NH2 2.92Å; E758-R890 PolarHBondContact OE2-NH2 3.29Å
759	I	96.3	Very high	95.6	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.01	12%	0.12	C	C	.	.	H	α-helix	trans	-62.9	-51.5	172.3	-63.7	-60.2	0	0	0	110.6	L749 R755 S756 P757 L761 G762 Y765 I769	L749-I759 HydrophobicContact CB-CD1 4.37Å; L749-I759 HydrophobicContact CB-CG2 4.11Å; L749-I759 HydrophobicContact CD2-CD1 3.98Å; R755-I759 HydrophobicContact CG-CB 3.96Å; R755-I759 HydrophobicContact CG-CG2 3.8Å; S756-I759 PolarHBondContact O-N 3.11Å; P757-I759 PolarHBondContact O-N 3.11Å; I759-L761 PolarHBondContact O-N 3.49Å; I759-G762 PolarHBondContact O-N 3.28Å; I759-Y765 HydrophobicContact CD1-CD1 3.42Å; I759-Y765 VanDerWaalsContact CD1-CD1 3.42Å; I759-Y765 HydrophobicContact CD1-CD2 3.94Å; I759-Y765 HydrophobicContact CD1-CE1 3.73Å; I759-Y765 HydrophobicContact CD1-CE2 4.21Å; I759-Y765 HydrophobicContact CD1-CG 3.54Å; I759-I769 HydrophobicContact CD1-CD1 4.45Å; I759-I769 HydrophobicContact CD1-CG2 4.04Å; I759-I769 HydrophobicContact CG1-CG2 4Å
760	I	96.8	Very high	95.8	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61.2	-34.6	-176.6	-65.4	179	0	0	0	111.9	R755 S756 P757 N793 M796 L797 F800	R755-I760 HydrophobicContact CG-CD1 4.29Å; R755-I760 HydrophobicContact CG-CG1 3.87Å; S756-I760 PolarHBondContact O-N 3.23Å; P757-I760 PolarHBondContact O-N 3.49Å; I760-N793 HydrophobicContact CG1-CB 4.49Å; I760-N793 HydrophobicContact CG2-CB 3.77Å; I760-M796 HydrophobicContact CD1-CB 3.61Å; I760-M796 HydrophobicContact CD1-CG 4.24Å; I760-L797 HydrophobicContact CB-CD2 4.13Å; I760-L797 HydrophobicContact CD1-CD2 4.37Å; I760-L797 HydrophobicContact CG2-CD1 3.93Å; I760-L797 HydrophobicContact CG2-CD2 3.86Å; I760-L797 HydrophobicContact CG2-CG 3.78Å; I760-F800 HydrophobicContact CD1-CE2 4Å; I760-F800 HydrophobicContact CD1-CZ 4.23Å
761	L	95.9	Very high	96	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-83.6	-9.9	179.8	-65.3	174.3	0	0	0	113.7	P757 I759 I763 L797 I807 I811 G815 Q816 F817 F822	P757-L761 WeakPolarHBondContact O-CB 3.4Å; P757-L761 VanDerWaalsContact O-CG 3.25Å; P757-L761 WeakPolarHBondContact O-CG 3.45Å; P757-L761 PolarHBondContact O-N 3.03Å; I759-L761 PolarHBondContact O-N 3.49Å; L761-I763 HydrophobicContact CB-CD1 3.81Å; L761-I763 HydrophobicContact CB-CG1 3.86Å; L761-I763 HydrophobicContact CD1-CD1 3.87Å; L761-L797 HydrophobicContact CD2-CD1 3.82Å; L761-I807 HydrophobicContact CD1-CD1 4.29Å; L761-I811 HydrophobicContact CD1-CG2 4.31Å; L761-G815 CarbonylContact O-C 3.56Å; L761-G815 WeakPolarHBondContact O-CA 3.49Å; L761-Q816 PolarHBondContact O-N 3.27Å; L761-F817 PolarHBondContact O-N 3.44Å; L761-F822 HydrophobicContact CD2-CD2 4.33Å; L761-F822 HydrophobicContact CD2-CE2 3.84Å
762	G	95.1	Very high	96.1	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.01	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	50.9	-172.5	0	0	0	0	0	111.5	E758 I759 Q816	E758-G762 PolarHBondContact O-N 3.01Å; I759-G762 PolarHBondContact O-N 3.28Å; G762-Q816 WeakPolarHBondContact O-CG 3.48Å; G762-Q816 PolarHBondContact O-N 2.88Å
763	I	94.8	Very high	96.2	Very high	12 Å²	12	15.5 Å²	15.5	6%	0.062	8%	0.081	C	C	.	.			trans	-106.7	135.2	175.1	-60.8	173.9	0	0	0	107.7	E758 L761 Y765 I811 K814	E758-I763 HydrophobicContact CB-CB 4Å; E758-I763 HydrophobicContact CB-CG2 4.4Å; E758-I763 PolarHBondContact O-N 3.08Å; L761-I763 HydrophobicContact CB-CD1 3.81Å; L761-I763 HydrophobicContact CB-CG1 3.86Å; L761-I763 HydrophobicContact CD1-CD1 3.87Å; I763-Y765 PolarHBondContact O-N 3.42Å; I763-I811 HydrophobicContact CD1-CG2 3.52Å; I763-I811 WeakPolarHBondContact CD1-O 3.32Å; I763-K814 HydrophobicContact CD1-CB 4.34Å; I763-K814 HydrophobicContact CG1-CB 4.24Å; I763-K814 HydrophobicContact CG2-CB 4.43Å
764	P	93.3	Very high	96.2	Very high	92 Å²	92	12.3 Å²	12.3	60%	0.597	7%	0.067	S	C	*	.			trans	-50.8	129.7	174.1	-28.4	34.9	0	0	0	112.3	I745	I745-P764 HydrophobicContact CD1-CG 4.05Å
765	Y	94.2	Very high	96.2	Very high	23 Å²	23	11.9 Å²	11.9	9%	0.09	7%	0.066	C	C	.	.			trans	-125.8	161.7	-164	62.1	-96.2	0	0	0	112.7	L711 N743 E744 L749 I759 I763 I769	L711-Y765 HydrophobicContact CD1-CD2 3.94Å; L711-Y765 HydrophobicContact CD1-CE2 3.7Å; N743-Y765 HydrophobicContact CB-CE2 4.12Å; N743-Y765 WeakPolarHBondContact ND2-CE2 3.46Å; N743-Y765 PolarHBondContact ND2-O 2.75Å; N743-Y765 VanDerWaalsContact ND2-O 3.12Å; E744-Y765 WeakPolarHBondContact O-CE1 3.46Å; E744-Y765 PolarHBondContact O-OH 3.45Å; L749-Y765 HydrophobicContact CD2-CE2 3.84Å; I759-Y765 HydrophobicContact CD1-CD1 3.42Å; I759-Y765 VanDerWaalsContact CD1-CD1 3.42Å; I759-Y765 HydrophobicContact CD1-CD2 3.94Å; I759-Y765 HydrophobicContact CD1-CE1 3.73Å; I759-Y765 HydrophobicContact CD1-CE2 4.21Å; I759-Y765 HydrophobicContact CD1-CG 3.54Å; I763-Y765 PolarHBondContact O-N 3.42Å; Y765-I769 HydrophobicContact CD2-CD1 3.88Å; Y765-I769 HydrophobicContact CD2-CG2 4.03Å; Y765-I769 HydrophobicContact CE2-CD1 4.05Å; Y765-I769 HydrophobicContact CG-CG2 4.18Å
766	D	94	Very high	96.2	Very high	51 Å²	51	11.4 Å²	11.4	27%	0.273	6%	0.064	S	C	.	.			trans	-140.6	-164.1	-178.6	88.9	-42.8	0	0	0	111.3	K706 I740 G768 I769	K706-D766 IonicContact NZ-OD2 3.33Å; I740-D766 HydrophobicContact CD1-CB 4.05Å; D766-G768 PolarHBondContact O-N 2.82Å; D766-G768 WeakPolarHBondContact OD1-CA 3.12Å; D766-G768 PolarHBondContact OD1-N 3.03Å; D766-I769 PolarHBondContact O-N 3.4Å
767	Y	94.8	Very high	96.3	Very high	36 Å²	36	11.4 Å²	11.4	14%	0.141	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-12	171.2	-41.4	-84.7	0	0	0	115.2	K706 G709 L711 I740 I769 T771	K706-Y767 HydrophobicContact CB-CD1 3.81Å; K706-Y767 HydrophobicContact CB-CE1 4.16Å; K706-Y767 HydrophobicContact CB-CG 4.06Å; K706-Y767 HydrophobicContact CD-CD1 4.32Å; K706-Y767 HydrophobicContact CD-CD2 3.7Å; K706-Y767 HydrophobicContact CD-CE2 4.3Å; K706-Y767 HydrophobicContact CD-CG 3.69Å; K706-Y767 VanDerWaalsContact CE-CD2 3.45Å; K706-Y767 HydrophobicContact CG-CD1 3.92Å; K706-Y767 HydrophobicContact CG-CD2 3.87Å; K706-Y767 HydrophobicContact CG-CE1 4.13Å; K706-Y767 HydrophobicContact CG-CE2 4.06Å; K706-Y767 HydrophobicContact CG-CG 3.78Å; G709-Y767 WeakPolarHBondContact CA-OH 3.49Å; L711-Y767 HydrophobicContact CD2-CD1 3.53Å; L711-Y767 HydrophobicContact CD2-CE1 4.01Å; L711-Y767 HydrophobicContact CD2-CG 3.96Å; I740-Y767 HydrophobicContact CD1-CD2 3.99Å; I740-Y767 HydrophobicContact CD1-CE1 4.33Å; I740-Y767 HydrophobicContact CD1-CE2 3.33Å; Y767-I769 PolarHBondContact O-N 3.21Å; Y767-T771 PolarHBondContact O-N 2.85Å; Y767-T771 PolarHBondContact O-OG1 3.04Å
768	G	95.8	Very high	96.3	Very high	7 Å²	7	11.4 Å²	11.4	7%	0.072	6%	0.064	C	C	.	.	H	α-helix	trans	-56.1	-32.8	166.8	0	0	0	0	0	113.6	D766 T771 W772 R890	D766-G768 PolarHBondContact O-N 2.82Å; D766-G768 WeakPolarHBondContact OD1-CA 3.12Å; D766-G768 PolarHBondContact OD1-N 3.03Å; G768-T771 WeakPolarHBondContact O-CB 3.45Å; G768-T771 PolarHBondContact O-N 3.18Å; G768-W772 PolarHBondContact O-N 3.31Å; G768-R890 PolarHBondContact O-NH1 2.86Å
769	I	96.7	Very high	96.3	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-65.5	-43	-178.2	73.4	177.9	0	0	0	111.6	L711 A713 L749 V750 E758 I759 Y765 D766 Y767 T771 W772 S773	L711-I769 HydrophobicContact CD1-CD1 4.18Å; A713-I769 HydrophobicContact CB-CD1 4.08Å; L749-I769 HydrophobicContact CD2-CD1 4.02Å; V750-I769 HydrophobicContact CG2-CD1 4.41Å; E758-I769 HydrophobicContact CG-CG2 4.2Å; I759-I769 HydrophobicContact CD1-CD1 4.45Å; I759-I769 HydrophobicContact CD1-CG2 4.04Å; I759-I769 HydrophobicContact CG1-CG2 4Å; Y765-I769 HydrophobicContact CD2-CD1 3.88Å; Y765-I769 HydrophobicContact CD2-CG2 4.03Å; Y765-I769 HydrophobicContact CE2-CD1 4.05Å; Y765-I769 HydrophobicContact CG-CG2 4.18Å; D766-I769 PolarHBondContact O-N 3.4Å; Y767-I769 PolarHBondContact O-N 3.21Å; I769-T771 VanDerWaalsContact C-N 3.32Å; I769-T771 PolarHBondContact O-N 3.43Å; I769-W772 PolarHBondContact O-N 2.97Å; I769-S773 WeakPolarHBondContact O-CB 3.5Å; I769-S773 PolarHBondContact O-N 2.78Å; I769-S773 PolarHBondContact O-OG 3.43Å
770	D	97.3	Very high	96.3	Very high	3 Å²	3	11.7 Å²	11.7	2%	0.016	7%	0.065	C	C	.	.	H	α-helix	trans	-69.1	-34.7	176.9	-71.7	-26.7	0	0	0	110.9	L702 H712 A713 I715 S773 A774	L702-D770 HydrophobicContact CD2-CB 3.72Å; H712-D770 PolarHBondContact N-OD2 3.48Å; A713-D770 PolarHBondContact N-OD1 3.22Å; I715-D770 HydrophobicContact CD1-CB 3.69Å; D770-S773 PolarHBondContact O-N 2.69Å; D770-A774 VanDerWaalsContact O-CB 3.24Å; D770-A774 WeakPolarHBondContact O-CB 3.29Å; D770-A774 PolarHBondContact O-N 3.11Å
771	T	97.2	Very high	96.3	Very high	7 Å²	7	11.8 Å²	11.8	4%	0.043	7%	0.066	C	C	.	.	H	α-helix	trans	-63.9	-39.1	173.5	-53.1	0	0	0	0	111.6	Y767 G768 I769 G775 M882 R890	Y767-T771 PolarHBondContact O-N 2.85Å; Y767-T771 PolarHBondContact O-OG1 3.04Å; G768-T771 WeakPolarHBondContact O-CB 3.45Å; G768-T771 PolarHBondContact O-N 3.18Å; I769-T771 VanDerWaalsContact C-N 3.32Å; I769-T771 PolarHBondContact O-N 3.43Å; T771-G775 PolarHBondContact O-N 3.24Å; T771-M882 HydrophobicContact CG2-CE 4.35Å; T771-M882 WeakPolarHBondContact O-CE 3.43Å; T771-R890 HydrophobicContact CG2-CG 4.15Å
772	W	97.8	Very high	96.3	Very high	1 Å²	1	12.5 Å²	12.5	0%	0.004	7%	0.069	C	C	.	.	H	α-helix	trans	-69.7	-44.1	175.1	177.4	-77.5	0	0	0	111.9	Y754 R755 P757 G768 I769 A774 G775 C776 F788 F800 F883 L885	Y754-W772 VanDerWaalsContact O-CD1 3.26Å; R755-W772 PolarHBondContact O-NE1 3.2Å; P757-W772 HydrophobicContact CG-CE3 4.42Å; P757-W772 HydrophobicContact CG-CH2 4.1Å; P757-W772 HydrophobicContact CG-CZ3 4.01Å; G768-W772 PolarHBondContact O-N 3.31Å; I769-W772 PolarHBondContact O-N 2.97Å; W772-A774 VanDerWaalsContact C-N 3.35Å; W772-A774 PolarHBondContact O-N 2.95Å; W772-G775 WeakPolarHBondContact O-CA 3.18Å; W772-G775 PolarHBondContact O-N 3.22Å; W772-C776 PolarHBondContact O-N 3.49Å; W772-F788 HydrophobicContact CZ2-CD2 4.43Å; W772-F788 AromaticContact CZ2-CE2 3.72Å; W772-F788 HydrophobicContact CZ2-CE2 3.72Å; W772-F788 HydrophobicContact CZ2-CZ 4.31Å; W772-F800 HydrophobicContact CH2-CD1 4.22Å; W772-F800 HydrophobicContact CH2-CD2 4.45Å; W772-F800 HydrophobicContact CH2-CG 4.18Å; W772-F800 AromaticContact CZ2-CD1 3.64Å; W772-F800 HydrophobicContact CZ2-CD1 3.64Å; W772-F800 HydrophobicContact CZ2-CD2 4.22Å; W772-F800 AromaticContact CZ2-CE1 3.59Å; W772-F800 HydrophobicContact CZ2-CE1 3.59Å; W772-F800 HydrophobicContact CZ2-CE2 4.17Å; W772-F800 AromaticContact CZ2-CG 3.97Å; W772-F800 HydrophobicContact CZ2-CG 3.97Å; W772-F800 AromaticContact CZ2-CZ 3.87Å; W772-F800 HydrophobicContact CZ2-CZ 3.87Å; W772-F883 HydrophobicContact CD2-CD1 4Å; W772-F883 HydrophobicContact CE3-CB 4.5Å; W772-F883 AromaticContact CE3-CD1 3.99Å; W772-F883 HydrophobicContact CE3-CD1 3.99Å; W772-F883 HydrophobicContact CH2-CB 4.22Å; W772-F883 HydrophobicContact CH2-CD1 4.14Å; W772-F883 HydrophobicContact CZ2-CD1 4.13Å; W772-F883 HydrophobicContact CZ3-CB 3.97Å; W772-F883 HydrophobicContact CZ3-CD1 4.08Å; W772-L885 HydrophobicContact CH2-CD2 4.23Å; W772-L885 HydrophobicContact CZ3-CD2 4.49Å
773	S	98.2	Very high	96.2	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-61.4	-42.1	178.4	-54.7	0	0	0	0	111.8	Y754 I769 D770 G775 C776 T777	Y754-S773 PolarHBondContact O-OG 2.77Å; Y754-S773 VanDerWaalsContact O-OG 3.14Å; I769-S773 WeakPolarHBondContact O-CB 3.5Å; I769-S773 PolarHBondContact O-N 2.78Å; I769-S773 PolarHBondContact O-OG 3.43Å; D770-S773 PolarHBondContact O-N 2.69Å; S773-G775 VanDerWaalsContact C-N 3.33Å; S773-G775 PolarHBondContact O-N 3.02Å; S773-C776 PolarHBondContact O-N 2.84Å; S773-T777 WeakPolarHBondContact O-CB 3.3Å; S773-T777 PolarHBondContact O-N 3.41Å; S773-T777 PolarHBondContact O-OG1 3.49Å
774	A	97.8	Very high	96.1	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-60.8	-38.9	170.7	0	0	0	0	0	112.3	L698 L702 D770 W772 T777 I778 M882	L698-A774 HydrophobicContact CD2-CB 3.67Å; L698-A774 HydrophobicContact CG-CB 4.16Å; L702-A774 HydrophobicContact CD1-CB 3.97Å; D770-A774 VanDerWaalsContact O-CB 3.24Å; D770-A774 WeakPolarHBondContact O-CB 3.29Å; D770-A774 PolarHBondContact O-N 3.11Å; W772-A774 VanDerWaalsContact C-N 3.35Å; W772-A774 PolarHBondContact O-N 2.95Å; A774-T777 WeakPolarHBondContact O-CB 3.28Å; A774-T777 PolarHBondContact O-N 2.85Å; A774-I778 WeakPolarHBondContact O-CB 3.18Å; A774-I778 WeakPolarHBondContact O-CD1 3.38Å; A774-I778 WeakPolarHBondContact O-CG1 3.04Å; A774-I778 PolarHBondContact O-N 3.41Å; A774-M882 HydrophobicContact CB-CE 4.21Å
775	G	97.4	Very high	96.1	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-62.3	-46.8	175.9	0	0	0	0	0	112.5	T771 W772 S773 T777 I778 Y779 L879 M882	T771-G775 PolarHBondContact O-N 3.24Å; W772-G775 WeakPolarHBondContact O-CA 3.18Å; W772-G775 PolarHBondContact O-N 3.22Å; S773-G775 VanDerWaalsContact C-N 3.33Å; S773-G775 PolarHBondContact O-N 3.02Å; G775-T777 VanDerWaalsContact C-N 3.3Å; G775-T777 PolarHBondContact O-N 3.43Å; G775-I778 PolarHBondContact O-N 3.06Å; G775-Y779 PolarHBondContact O-N 3.3Å; G775-L879 VanDerWaalsContact O-CD2 3.28Å; G775-L879 WeakPolarHBondContact O-CD2 3.31Å; G775-M882 VanDerWaalsContact N-CE 3.3Å
776	C	97.9	Very high	96.1	Very high	3 Å²	3	14.2 Å²	14.2	2%	0.02	8%	0.075	C	C	.	.	H	α-helix	trans	-58.9	-43.9	174.9	-65.5	0	0	0	0	111.2	Y754 W772 S773 E780	Y754-C776 HydrophobicContact CD1-CB 3.71Å; Y754-C776 HydrophobicContact CE1-CB 4.35Å; W772-C776 PolarHBondContact O-N 3.49Å; S773-C776 PolarHBondContact O-N 2.84Å; C776-E780 WeakPolarHBondContact O-CB 3.28Å; C776-E780 PolarHBondContact O-N 3.48Å; C776-E780 VanDerWaalsContact O-N 3.13Å
777	T	97.8	Very high	96.1	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-61.7	-46.1	175.9	-63.5	0	0	0	0	112.3	P717 I720 S773 A774 G775 Y779 E780 L781	P717-T777 HydrophobicContact CG-CG2 4.16Å; I720-T777 HydrophobicContact CD1-CG2 3.84Å; S773-T777 WeakPolarHBondContact O-CB 3.3Å; S773-T777 PolarHBondContact O-N 3.41Å; S773-T777 PolarHBondContact O-OG1 3.49Å; A774-T777 WeakPolarHBondContact O-CB 3.28Å; A774-T777 PolarHBondContact O-N 2.85Å; G775-T777 VanDerWaalsContact C-N 3.3Å; G775-T777 PolarHBondContact O-N 3.43Å; T777-Y779 PolarHBondContact O-N 3.31Å; T777-E780 PolarHBondContact O-N 3.02Å; T777-L781 HydrophobicContact CG2-CD1 4.03Å; T777-L781 HydrophobicContact CG2-CG 4.37Å; T777-L781 VanDerWaalsContact O-CG 3.27Å; T777-L781 WeakPolarHBondContact O-CG 3.5Å; T777-L781 PolarHBondContact O-N 3.47Å
778	I	97.4	Very high	96.2	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-64.7	-40.5	-179	-72.1	159	0	0	0	111.7	V691 T695 L698 F699 A774 G775 E780 L781 Y782 L875 L879 M882	V691-I778 HydrophobicContact CG1-CG2 4.1Å; T695-I778 HydrophobicContact CG2-CD1 3.78Å; L698-I778 HydrophobicContact CD2-CD1 4.4Å; L698-I778 HydrophobicContact CD2-CG1 4.37Å; F699-I778 HydrophobicContact CE1-CD1 3.84Å; F699-I778 HydrophobicContact CZ-CD1 3.96Å; A774-I778 WeakPolarHBondContact O-CB 3.18Å; A774-I778 WeakPolarHBondContact O-CD1 3.38Å; A774-I778 WeakPolarHBondContact O-CG1 3.04Å; A774-I778 PolarHBondContact O-N 3.41Å; G775-I778 PolarHBondContact O-N 3.06Å; I778-E780 VanDerWaalsContact C-N 3.34Å; I778-L781 PolarHBondContact O-N 3.45Å; I778-Y782 PolarHBondContact O-N 2.89Å; I778-L875 HydrophobicContact CG2-CD1 3.65Å; I778-L879 HydrophobicContact CB-CD2 4.32Å; I778-L879 HydrophobicContact CG2-CD2 4.17Å; I778-M882 HydrophobicContact CD1-CE 4.13Å; I778-M882 HydrophobicContact CD1-SD 4.48Å
779	Y	96.8	Very high	96.2	Very high	4 Å²	4	13.1 Å²	13.1	2%	0.016	8%	0.075	C	C	.	.	H	α-helix	trans	-59.9	-45.3	172.6	171.6	-85.2	0	0	0	111.6	G775 T777 Y782 T783 K785 L787 L854 E857 L858 L879	G775-Y779 PolarHBondContact O-N 3.3Å; T777-Y779 PolarHBondContact O-N 3.31Å; Y779-Y782 PolarHBondContact O-N 3.13Å; Y779-T783 HydrophobicContact CD2-CG2 4.26Å; Y779-T783 HydrophobicContact CE1-CG2 4.11Å; Y779-T783 VanDerWaalsContact CE1-OG1 3.22Å; Y779-T783 WeakPolarHBondContact CE1-OG1 3.34Å; Y779-T783 HydrophobicContact CE2-CG2 3.8Å; Y779-T783 PolarHBondContact O-N 3.02Å; Y779-T783 PolarHBondContact O-OG1 3.27Å; Y779-K785 HydrophobicContact CE1-CB 4.41Å; Y779-K785 WeakPolarHBondContact CE1-O 3.25Å; Y779-L787 HydrophobicContact CD1-CB 3.5Å; Y779-L787 HydrophobicContact CD1-CD1 3.83Å; Y779-L787 HydrophobicContact CD1-CD2 4.46Å; Y779-L787 HydrophobicContact CD1-CG 4.11Å; Y779-L787 HydrophobicContact CD2-CD1 3.89Å; Y779-L787 HydrophobicContact CE1-CB 3.87Å; Y779-L787 HydrophobicContact CE1-CD1 3.73Å; Y779-L787 HydrophobicContact CE1-CG 4.36Å; Y779-L787 HydrophobicContact CE2-CD1 3.8Å; Y779-L787 HydrophobicContact CG-CB 4.08Å; Y779-L787 HydrophobicContact CG-CD1 3.91Å; Y779-L787 HydrophobicContact CG-CD2 4.2Å; Y779-L787 HydrophobicContact CG-CG 4.28Å; Y779-L854 HydrophobicContact CD2-CD2 4.42Å; Y779-L854 HydrophobicContact CE2-CD2 4.34Å; Y779-E857 HydrophobicContact CE2-CB 4.41Å; Y779-E857 PolarHBondContact OH-OE2 2.96Å; Y779-L858 HydrophobicContact CD2-CD2 3.75Å; Y779-L858 HydrophobicContact CD2-CG 4.36Å; Y779-L858 HydrophobicContact CE2-CD2 3.92Å; Y779-L858 HydrophobicContact CE2-CG 4.22Å; Y779-L879 HydrophobicContact CD2-CD1 4.25Å
780	E	96	Very high	96	Very high	5 Å²	5	13.1 Å²	13.1	2%	0.023	8%	0.075	C	C	.	.	H	α-helix	trans	-67.5	-35.5	-179.8	-179.7	169.1	-156.1	0	0	112.2	R674 L677 P717 Y754 C776 T777 I778 Y782 T783 G784 K785 I786	R674-E780 IonicContact CZ-OE1 2.78Å; R674-E780 IonicContact NH1-OE1 2.94Å; R674-E780 PolarHBondContact NH1-OE1 3.14Å; R674-E780 IonicContact NH2-OE1 2.67Å; R674-E780 IonicContact NH2-OE2 3.12Å; L677-E780 HydrophobicContact CD1-CG 4.06Å; P717-E780 HydrophobicContact CG-CG 4.39Å; P717-E780 WeakPolarHBondContact CG-OE2 3.35Å; Y754-E780 WeakPolarHBondContact CE1-OE2 3.34Å; Y754-E780 PolarHBondContact OH-OE2 3.49Å; C776-E780 WeakPolarHBondContact O-CB 3.28Å; C776-E780 PolarHBondContact O-N 3.48Å; C776-E780 VanDerWaalsContact O-N 3.13Å; T777-E780 PolarHBondContact O-N 3.02Å; I778-E780 VanDerWaalsContact C-N 3.34Å; E780-Y782 VanDerWaalsContact C-N 3.3Å; E780-Y782 PolarHBondContact O-N 3.37Å; E780-T783 PolarHBondContact O-N 3.36Å; E780-G784 VanDerWaalsContact O-CA 3.29Å; E780-G784 WeakPolarHBondContact O-CA 3.33Å; E780-G784 PolarHBondContact O-N 2.78Å; E780-K785 VanDerWaalsContact CA-O 3.32Å; E780-K785 WeakPolarHBondContact CA-O 3.36Å; E780-K785 WeakPolarHBondContact CB-O 3.49Å; E780-I786 WeakPolarHBondContact OE1-CG1 3.28Å
781	L	95.8	Very high	95.8	Very high	2 Å²	2	21 Å²	21	1%	0.01	11%	0.109	C	C	.	.	H	α-helix	trans	-61.6	-35.9	173.2	-72.3	170	0	0	0	112.5	L673 L677 L686 V691 Y694 T777 I778	L673-L781 HydrophobicContact CB-CD2 3.95Å; L673-L781 HydrophobicContact CD1-CD1 4Å; L673-L781 HydrophobicContact CD1-CD2 3.77Å; L673-L781 HydrophobicContact CD2-CD2 4.27Å; L673-L781 HydrophobicContact CG-CD2 4.23Å; L677-L781 HydrophobicContact CD1-CD2 4.19Å; L677-L781 HydrophobicContact CG-CD2 4.4Å; L686-L781 VanDerWaalsContact CB-O 3.31Å; L686-L781 WeakPolarHBondContact CB-O 3.43Å; L686-L781 HydrophobicContact CD1-CB 4.39Å; L686-L781 HydrophobicContact CD1-CD2 3.85Å; L686-L781 WeakPolarHBondContact CG-O 3.28Å; L686-L781 PolarHBondContact N-O 3.03Å; V691-L781 HydrophobicContact CG2-CB 4.45Å; Y694-L781 HydrophobicContact CD2-CD1 4.41Å; T777-L781 HydrophobicContact CG2-CD1 4.03Å; T777-L781 HydrophobicContact CG2-CG 4.37Å; T777-L781 VanDerWaalsContact O-CG 3.27Å; T777-L781 WeakPolarHBondContact O-CG 3.5Å; T777-L781 PolarHBondContact O-N 3.47Å; I778-L781 PolarHBondContact O-N 3.45Å
782	Y	95.6	Very high	95.6	Very high	16 Å²	16	23 Å²	23	6%	0.063	12%	0.123	C	C	.	.	H	α-helix	trans	-82.6	-36.8	178	-175.7	-115.3	0	0	0	113.6	G685 L686 I688 V691 I778 Y779 E780 L858 V872 L875	G685-Y782 WeakPolarHBondContact CA-O 3.24Å; L686-Y782 WeakPolarHBondContact O-CD2 2.87Å; I688-Y782 HydrophobicContact CB-CD2 4.4Å; I688-Y782 HydrophobicContact CB-CE2 3.99Å; I688-Y782 HydrophobicContact CD1-CD2 3.86Å; I688-Y782 HydrophobicContact CD1-CE2 3.95Å; I688-Y782 HydrophobicContact CD1-CG 4.4Å; I688-Y782 HydrophobicContact CG1-CE2 4.49Å; V691-Y782 HydrophobicContact CG2-CD2 4.09Å; I778-Y782 PolarHBondContact O-N 2.89Å; Y779-Y782 PolarHBondContact O-N 3.13Å; E780-Y782 VanDerWaalsContact C-N 3.3Å; E780-Y782 PolarHBondContact O-N 3.37Å; Y782-L858 HydrophobicContact CD1-CD2 3.64Å; Y782-L858 HydrophobicContact CE1-CB 4.35Å; Y782-L858 HydrophobicContact CE1-CD2 4.28Å; Y782-L858 WeakPolarHBondContact CE1-O 3.43Å; Y782-V872 HydrophobicContact CE1-CG1 4.25Å; Y782-V872 HydrophobicContact CE1-CG2 3.86Å; Y782-V872 HydrophobicContact CE2-CG2 4.35Å; Y782-V872 WeakPolarHBondContact OH-CG2 3.44Å; Y782-L875 HydrophobicContact CD1-CD2 3.97Å; Y782-L875 HydrophobicContact CG-CD2 3.88Å
783	T	93.3	Very high	95.5	Very high	10 Å²	10	23.6 Å²	23.6	6%	0.061	13%	0.127	C	C	.	.	H	α-helix	trans	-99.9	-14.3	-172.1	60.8	0	0	0	0	115	N683 Y779 E780 K785 L858	N683-T783 CarbonylContact C-O 3.56Å; Y779-T783 HydrophobicContact CD2-CG2 4.26Å; Y779-T783 HydrophobicContact CE1-CG2 4.11Å; Y779-T783 VanDerWaalsContact CE1-OG1 3.22Å; Y779-T783 WeakPolarHBondContact CE1-OG1 3.34Å; Y779-T783 HydrophobicContact CE2-CG2 3.8Å; Y779-T783 PolarHBondContact O-N 3.02Å; Y779-T783 PolarHBondContact O-OG1 3.27Å; E780-T783 PolarHBondContact O-N 3.36Å; T783-K785 PolarHBondContact O-N 2.95Å; T783-K785 PolarHBondContact OG1-N 3.21Å; T783-K785 PolarHBondContact OG1-O 3.16Å; T783-L858 HydrophobicContact CG2-CD2 3.95Å
784	G	92.9	Very high	95.3	Very high	20 Å²	20	23.9 Å²	23.9	21%	0.206	13%	0.128	C	C	.	.	S	Bend	trans	64.3	19.1	-169	0	0	0	0	0	114	E780	E780-G784 VanDerWaalsContact O-CA 3.29Å; E780-G784 WeakPolarHBondContact O-CA 3.33Å; E780-G784 PolarHBondContact O-N 2.78Å
785	K	93.1	Very high	95.2	Very high	75 Å²	75	25.7 Å²	25.7	33%	0.326	14%	0.137	S	C	.	.	S	Bend	trans	-129.1	137.9	-175.2	-65	167.5	-169.5	169.6	0	111.4	N683 Y779 E780 T783 L787	N683-K785 HydrophobicContact CB-CG 4.43Å; N683-K785 VanDerWaalsContact OD1-CG 3.32Å; N683-K785 WeakPolarHBondContact OD1-CG 3.47Å; Y779-K785 HydrophobicContact CE1-CB 4.41Å; Y779-K785 WeakPolarHBondContact CE1-O 3.25Å; E780-K785 VanDerWaalsContact CA-O 3.32Å; E780-K785 WeakPolarHBondContact CA-O 3.36Å; E780-K785 WeakPolarHBondContact CB-O 3.49Å; T783-K785 PolarHBondContact O-N 2.95Å; T783-K785 PolarHBondContact OG1-N 3.21Å; T783-K785 PolarHBondContact OG1-O 3.16Å; K785-L787 PolarHBondContact O-N 3.47Å
786	I	94.7	Very high	95.1	Very high	58 Å²	58	25.7 Å²	25.7	30%	0.297	14%	0.137	S	C	.	.			trans	-64.5	126.1	168.3	-62.3	168.1	0	0	0	108.7	F753 E780	F753-I786 HydrophobicContact CB-CG2 3.75Å; F753-I786 HydrophobicContact CD2-CD1 3.91Å; F753-I786 HydrophobicContact CD2-CG2 4.14Å; F753-I786 HydrophobicContact CE2-CD1 4.04Å; F753-I786 HydrophobicContact CG-CG2 3.91Å; E780-I786 WeakPolarHBondContact OE1-CG1 3.28Å
787	L	94.8	Very high	95	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.016	14%	0.136	C	C	.	.	S	Bend	trans	-66.7	-44.4	-177.4	-178.5	57.3	0	0	0	113	Y779 K785 R852 L854 F883	Y779-L787 HydrophobicContact CD1-CB 3.5Å; Y779-L787 HydrophobicContact CD1-CD1 3.83Å; Y779-L787 HydrophobicContact CD1-CD2 4.46Å; Y779-L787 HydrophobicContact CD1-CG 4.11Å; Y779-L787 HydrophobicContact CD2-CD1 3.89Å; Y779-L787 HydrophobicContact CE1-CB 3.87Å; Y779-L787 HydrophobicContact CE1-CD1 3.73Å; Y779-L787 HydrophobicContact CE1-CG 4.36Å; Y779-L787 HydrophobicContact CE2-CD1 3.8Å; Y779-L787 HydrophobicContact CG-CB 4.08Å; Y779-L787 HydrophobicContact CG-CD1 3.91Å; Y779-L787 HydrophobicContact CG-CD2 4.2Å; Y779-L787 HydrophobicContact CG-CG 4.28Å; K785-L787 PolarHBondContact O-N 3.47Å; L787-R852 PolarHBondContact O-NH1 3.38Å; L787-R852 PolarHBondContact O-NH2 2.69Å; L787-L854 HydrophobicContact CD1-CD2 3.82Å; L787-F883 HydrophobicContact CD2-CD2 4.27Å; L787-F883 HydrophobicContact CD2-CE1 3.96Å; L787-F883 HydrophobicContact CD2-CE2 3.37Å; L787-F883 HydrophobicContact CD2-CZ 3.18Å
788	F	96	Very high	94.9	Very high	1 Å²	1	27 Å²	27	0%	0.004	14%	0.142	C	C	.	.			trans	-127.8	80.6	-173	-57.3	-54.7	0	0	0	110	F753 W772 G790 M796 F799 F800 V803 F883	F753-F788 VanDerWaalsContact CD1-O 3.27Å; F753-F788 WeakPolarHBondContact CD1-O 3.41Å; W772-F788 HydrophobicContact CZ2-CD2 4.43Å; W772-F788 AromaticContact CZ2-CE2 3.72Å; W772-F788 HydrophobicContact CZ2-CE2 3.72Å; W772-F788 HydrophobicContact CZ2-CZ 4.31Å; F788-G790 PolarHBondContact O-N 3.39Å; F788-M796 HydrophobicContact CB-CE 3.47Å; F788-M796 VanDerWaalsContact CB-CE 3.47Å; F788-M796 HydrophobicContact CB-SD 4.18Å; F788-M796 HydrophobicContact CG-CE 4.41Å; F788-F799 HydrophobicContact CD1-CB 3.81Å; F788-F799 HydrophobicContact CE1-CB 4.5Å; F788-F800 HydrophobicContact CB-CE1 4.13Å; F788-F800 AromaticContact CD1-CD1 3.9Å; F788-F800 HydrophobicContact CD1-CD1 3.9Å; F788-F800 HydrophobicContact CD1-CE1 4.23Å; F788-F800 AromaticContact CD2-CD1 3.84Å; F788-F800 HydrophobicContact CD2-CD1 3.84Å; F788-F800 AromaticContact CD2-CE1 3.53Å; F788-F800 HydrophobicContact CD2-CE1 3.53Å; F788-F800 AromaticContact CE1-CD1 3.87Å; F788-F800 HydrophobicContact CE1-CD1 3.87Å; F788-F800 AromaticContact CE2-CD1 3.81Å; F788-F800 HydrophobicContact CE2-CD1 3.81Å; F788-F800 AromaticContact CE2-CE1 3.87Å; F788-F800 HydrophobicContact CE2-CE1 3.87Å; F788-F800 AromaticContact CG-CD1 3.88Å; F788-F800 HydrophobicContact CG-CD1 3.88Å; F788-F800 AromaticContact CG-CE1 3.72Å; F788-F800 HydrophobicContact CG-CE1 3.72Å; F788-F800 AromaticContact CZ-CD1 3.82Å; F788-F800 HydrophobicContact CZ-CD1 3.82Å; F788-F800 HydrophobicContact CZ-CE1 4.35Å; F788-V803 HydrophobicContact CE1-CG2 3.95Å; F788-F883 HydrophobicContact CE2-CD1 4.3Å; F788-F883 HydrophobicContact CE2-CE1 4.18Å
789	S	94.9	Very high	94.8	Very high	67 Å²	67	28.8 Å²	28.8	47%	0.469	15%	0.15	S	C	.	.			trans	-83.2	42	-176.8	48.4	0	0	0	0	113.8
790	G	93.4	Very high	94.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.149	C	C	.	.			trans	-71.6	130.2	-173.7	0	0	0	0	0	113.4	R752 F753 F788 M796	R752-G790 VanDerWaalsContact CD-O 3.22Å; R752-G790 WeakPolarHBondContact CD-O 3.27Å; F753-G790 WeakPolarHBondContact CE1-O 3.38Å; F788-G790 PolarHBondContact O-N 3.39Å; G790-M796 VanDerWaalsContact CA-SD 3.59Å; G790-M796 PolarHBondContact N-SD 2.68Å; G790-M796 VanDerWaalsContact N-SD 3.44Å
791	K	92.3	Very high	94.6	Very high	168 Å²	168	28.4 Å²	28.4	73%	0.73	15%	0.148	S	C	*	.	S	Bend	trans	-66	-39	177	-65.1	-175.9	177.6	-172.9	0	112.2	R752	R752-K791 PolarHBondContact NH1-O 3.13Å
792	S	94.1	Very high	94.5	Very high	49 Å²	49	28.9 Å²	28.9	34%	0.343	15%	0.151	S	C	.	.	S	Bend	trans	-124.1	162.7	-178.5	67.7	0	0	0	0	111.9	N794 Q795 M796	S792-N794 PolarHBondContact O-N 3.42Å; S792-Q795 PolarHBondContact O-N 2.86Å; S792-Q795 VanDerWaalsContact O-N 3.09Å; S792-Q795 PolarHBondContact OG-N 3.17Å; S792-M796 WeakPolarHBondContact O-CG 3.44Å; S792-M796 PolarHBondContact O-N 3.2Å
793	N	95.1	Very high	94.3	Very high	15 Å²	15	29 Å²	29	8%	0.08	15%	0.153	C	C	.	.	H	α-helix	trans	-54.9	-39	172.6	-89.8	11.9	0	0	0	111.7	P747 R755 I760 M796 L797	P747-N793 PolarHBondContact O-ND2 2.82Å; R755-N793 PolarHBondContact NH1-OD1 2.95Å; I760-N793 HydrophobicContact CG1-CB 4.49Å; I760-N793 HydrophobicContact CG2-CB 3.77Å; N793-M796 WeakPolarHBondContact O-CB 3.45Å; N793-M796 PolarHBondContact O-N 2.92Å; N793-L797 PolarHBondContact O-N 2.93Å; N793-L797 VanDerWaalsContact O-N 3.16Å
794	N	95.1	Very high	94.3	Very high	5 Å²	5	31.8 Å²	31.8	3%	0.027	16%	0.164	C	C	.	.	H	α-helix	trans	-61	-46.6	174.4	-171.5	-92	0	0	0	112.2	S792 M796 L797 K798 H821 F828 L829 H831	S792-N794 PolarHBondContact O-N 3.42Å; N794-M796 VanDerWaalsContact C-N 3.31Å; N794-M796 PolarHBondContact O-N 3.06Å; N794-L797 PolarHBondContact O-N 3.47Å; N794-K798 PolarHBondContact O-N 3.1Å; N794-H821 PolarHBondContact ND2-ND1 3.28Å; N794-F828 WeakPolarHBondContact ND2-CE2 3.24Å; N794-F828 WeakPolarHBondContact O-CZ 3.22Å; N794-F828 WeakPolarHBondContact OD1-CZ 3.4Å; N794-L829 PolarHBondContact ND2-O 3.4Å; N794-L829 PolarHBondContact OD1-O 2.77Å; N794-H831 PolarHBondContact OD1-N 2.93Å
795	Q	94.7	Very high	94.2	Very high	38 Å²	38	31.1 Å²	31.1	18%	0.178	16%	0.158	C	C	.	.	H	α-helix	trans	-67.5	-30.7	178.5	-166.7	172.7	49.3	0	0	112.8	S792 K798 F799	S792-Q795 PolarHBondContact O-N 2.86Å; S792-Q795 VanDerWaalsContact O-N 3.09Å; S792-Q795 PolarHBondContact OG-N 3.17Å; Q795-K798 WeakPolarHBondContact O-CB 3.35Å; Q795-K798 PolarHBondContact O-N 3.01Å; Q795-F799 HydrophobicContact CG-CD2 4.48Å; Q795-F799 HydrophobicContact CG-CE1 4.15Å; Q795-F799 HydrophobicContact CG-CE2 4.01Å; Q795-F799 HydrophobicContact CG-CZ 3.83Å; Q795-F799 WeakPolarHBondContact O-CG 3.43Å; Q795-F799 PolarHBondContact O-N 3.01Å
796	M	96.3	Very high	94.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-59.7	-50	170.1	-67.2	-63.6	-58.2	0	0	111.1	R752 F753 I760 F788 G790 S792 N793 N794 K798 F799 F800	R752-M796 HydrophobicContact CG-CG 3.96Å; R752-M796 HydrophobicContact CG-SD 4.24Å; R752-M796 WeakPolarHBondContact O-CE 3.48Å; F753-M796 HydrophobicContact CD1-SD 4.36Å; I760-M796 HydrophobicContact CD1-CB 3.61Å; I760-M796 HydrophobicContact CD1-CG 4.24Å; F788-M796 HydrophobicContact CB-CE 3.47Å; F788-M796 VanDerWaalsContact CB-CE 3.47Å; F788-M796 HydrophobicContact CB-SD 4.18Å; F788-M796 HydrophobicContact CG-CE 4.41Å; G790-M796 VanDerWaalsContact CA-SD 3.59Å; G790-M796 PolarHBondContact N-SD 2.68Å; G790-M796 VanDerWaalsContact N-SD 3.44Å; S792-M796 WeakPolarHBondContact O-CG 3.44Å; S792-M796 PolarHBondContact O-N 3.2Å; N793-M796 WeakPolarHBondContact O-CB 3.45Å; N793-M796 PolarHBondContact O-N 2.92Å; N794-M796 VanDerWaalsContact C-N 3.31Å; N794-M796 PolarHBondContact O-N 3.06Å; M796-K798 VanDerWaalsContact C-N 3.31Å; M796-K798 PolarHBondContact O-N 3.36Å; M796-F799 PolarHBondContact O-N 3Å; M796-F799 VanDerWaalsContact O-N 3.13Å; M796-F800 HydrophobicContact CB-CE1 4.37Å; M796-F800 HydrophobicContact CB-CE2 4.37Å; M796-F800 HydrophobicContact CB-CZ 3.98Å; M796-F800 HydrophobicContact CE-CE1 3.62Å; M796-F800 HydrophobicContact CE-CZ 3.72Å; M796-F800 WeakPolarHBondContact O-CD1 3.21Å; M796-F800 WeakPolarHBondContact O-CG 3.2Å; M796-F800 PolarHBondContact O-N 3.02Å
797	L	95.7	Very high	94.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-59.4	-40.3	176.1	-64.2	-175.2	0	0	0	112.4	P757 I760 L761 N793 N794 F799 F800 M801 I807 H821 F822 F828	P757-L797 HydrophobicContact CB-CD2 4.26Å; I760-L797 HydrophobicContact CB-CD2 4.13Å; I760-L797 HydrophobicContact CD1-CD2 4.37Å; I760-L797 HydrophobicContact CG2-CD1 3.93Å; I760-L797 HydrophobicContact CG2-CD2 3.86Å; I760-L797 HydrophobicContact CG2-CG 3.78Å; L761-L797 HydrophobicContact CD2-CD1 3.82Å; N793-L797 PolarHBondContact O-N 2.93Å; N793-L797 VanDerWaalsContact O-N 3.16Å; N794-L797 PolarHBondContact O-N 3.47Å; L797-F799 VanDerWaalsContact C-N 3.35Å; L797-F799 PolarHBondContact O-N 3.32Å; L797-F800 HydrophobicContact CD2-CD2 3.81Å; L797-F800 HydrophobicContact CD2-CE2 3.97Å; L797-F800 PolarHBondContact O-N 3.38Å; L797-M801 HydrophobicContact CB-CE 4.36Å; L797-M801 WeakPolarHBondContact O-CE 3.27Å; L797-M801 WeakPolarHBondContact O-CG 3.37Å; L797-M801 PolarHBondContact O-N 2.95Å; L797-I807 HydrophobicContact CD2-CD1 4.05Å; L797-H821 HydrophobicContact CD1-CB 3.88Å; L797-H821 WeakPolarHBondContact CD1-CD2 3.4Å; L797-F822 HydrophobicContact CD1-CE2 4.02Å; L797-F828 HydrophobicContact CB-CE2 4.04Å; L797-F828 HydrophobicContact CB-CZ 4.39Å; L797-F828 HydrophobicContact CD1-CE2 4.42Å
798	K	94.5	Very high	94	Very high	30 Å²	30	30.2 Å²	30.2	13%	0.13	16%	0.158	C	C	.	.	H	α-helix	trans	-56.2	-48.8	174	177.9	57.1	171.4	69.2	0	111.1	N794 Q795 M796 F800 M801 D802 F828 Y830 M845	N794-K798 PolarHBondContact O-N 3.1Å; Q795-K798 WeakPolarHBondContact O-CB 3.35Å; Q795-K798 PolarHBondContact O-N 3.01Å; M796-K798 VanDerWaalsContact C-N 3.31Å; M796-K798 PolarHBondContact O-N 3.36Å; K798-F800 PolarHBondContact O-N 2.79Å; K798-M801 CarbonylContact O-C 3.57Å; K798-M801 PolarHBondContact O-N 3.01Å; K798-D802 IonicContact NZ-OD1 3.85Å; K798-D802 PolarHBondContact NZ-OD1 3Å; K798-D802 IonicContact NZ-OD2 2.79Å; K798-D802 PolarHBondContact NZ-OD2 3.33Å; K798-D802 PolarHBondContact O-N 2.87Å; K798-F828 HydrophobicContact CB-CE1 3.85Å; K798-F828 HydrophobicContact CB-CZ 4.02Å; K798-F828 HydrophobicContact CD-CE1 4.04Å; K798-F828 HydrophobicContact CG-CE1 4.4Å; K798-Y830 HydrophobicContact CB-CD2 3.94Å; K798-Y830 HydrophobicContact CB-CE2 3.92Å; K798-Y830 HydrophobicContact CD-CD2 4.32Å; K798-Y830 HydrophobicContact CG-CD2 3.9Å; K798-Y830 HydrophobicContact CG-CE2 3.75Å; K798-M845 HydrophobicContact CD-SD 4.06Å
799	F	94.9	Very high	93.9	Very high	38 Å²	38	33 Å²	33	17%	0.167	17%	0.172	C	C	.	.	H	α-helix	trans	-67.7	-32.1	178.8	-64.7	-21.9	0	0	0	113.6	F788 Q795 M796 L797 M801 D802 V803	F788-F799 HydrophobicContact CD1-CB 3.81Å; F788-F799 HydrophobicContact CE1-CB 4.5Å; Q795-F799 HydrophobicContact CG-CD2 4.48Å; Q795-F799 HydrophobicContact CG-CE1 4.15Å; Q795-F799 HydrophobicContact CG-CE2 4.01Å; Q795-F799 HydrophobicContact CG-CZ 3.83Å; Q795-F799 WeakPolarHBondContact O-CG 3.43Å; Q795-F799 PolarHBondContact O-N 3.01Å; M796-F799 PolarHBondContact O-N 3Å; M796-F799 VanDerWaalsContact O-N 3.13Å; L797-F799 VanDerWaalsContact C-N 3.35Å; L797-F799 PolarHBondContact O-N 3.32Å; F799-M801 VanDerWaalsContact C-N 3.34Å; F799-D802 PolarHBondContact O-N 2.96Å; F799-V803 PolarHBondContact O-N 3.42Å
800	F	95.4	Very high	93.8	Very high	1 Å²	1	36.6 Å²	36.6	0%	0.004	18%	0.176	C	C	.	.	H	α-helix	trans	-62.7	-43	171.9	-55.8	-19.3	0	0	0	111.1	R755 P757 I760 W772 F788 M796 L797 K798 V803 K804 L885	R755-F800 WeakPolarHBondContact O-CZ 3.48Å; P757-F800 HydrophobicContact CB-CD2 3.89Å; P757-F800 HydrophobicContact CB-CE2 3.99Å; P757-F800 HydrophobicContact CG-CD2 4.36Å; P757-F800 HydrophobicContact CG-CE2 4.45Å; I760-F800 HydrophobicContact CD1-CE2 4Å; I760-F800 HydrophobicContact CD1-CZ 4.23Å; W772-F800 HydrophobicContact CH2-CD1 4.22Å; W772-F800 HydrophobicContact CH2-CD2 4.45Å; W772-F800 HydrophobicContact CH2-CG 4.18Å; W772-F800 AromaticContact CZ2-CD1 3.64Å; W772-F800 HydrophobicContact CZ2-CD1 3.64Å; W772-F800 HydrophobicContact CZ2-CD2 4.22Å; W772-F800 AromaticContact CZ2-CE1 3.59Å; W772-F800 HydrophobicContact CZ2-CE1 3.59Å; W772-F800 HydrophobicContact CZ2-CE2 4.17Å; W772-F800 AromaticContact CZ2-CG 3.97Å; W772-F800 HydrophobicContact CZ2-CG 3.97Å; W772-F800 AromaticContact CZ2-CZ 3.87Å; W772-F800 HydrophobicContact CZ2-CZ 3.87Å; F788-F800 HydrophobicContact CB-CE1 4.13Å; F788-F800 AromaticContact CD1-CD1 3.9Å; F788-F800 HydrophobicContact CD1-CD1 3.9Å; F788-F800 HydrophobicContact CD1-CE1 4.23Å; F788-F800 AromaticContact CD2-CD1 3.84Å; F788-F800 HydrophobicContact CD2-CD1 3.84Å; F788-F800 AromaticContact CD2-CE1 3.53Å; F788-F800 HydrophobicContact CD2-CE1 3.53Å; F788-F800 AromaticContact CE1-CD1 3.87Å; F788-F800 HydrophobicContact CE1-CD1 3.87Å; F788-F800 AromaticContact CE2-CD1 3.81Å; F788-F800 HydrophobicContact CE2-CD1 3.81Å; F788-F800 AromaticContact CE2-CE1 3.87Å; F788-F800 HydrophobicContact CE2-CE1 3.87Å; F788-F800 AromaticContact CG-CD1 3.88Å; F788-F800 HydrophobicContact CG-CD1 3.88Å; F788-F800 AromaticContact CG-CE1 3.72Å; F788-F800 HydrophobicContact CG-CE1 3.72Å; F788-F800 AromaticContact CZ-CD1 3.82Å; F788-F800 HydrophobicContact CZ-CD1 3.82Å; F788-F800 HydrophobicContact CZ-CE1 4.35Å; M796-F800 HydrophobicContact CB-CE1 4.37Å; M796-F800 HydrophobicContact CB-CE2 4.37Å; M796-F800 HydrophobicContact CB-CZ 3.98Å; M796-F800 HydrophobicContact CE-CE1 3.62Å; M796-F800 HydrophobicContact CE-CZ 3.72Å; M796-F800 WeakPolarHBondContact O-CD1 3.21Å; M796-F800 WeakPolarHBondContact O-CG 3.2Å; M796-F800 PolarHBondContact O-N 3.02Å; L797-F800 HydrophobicContact CD2-CD2 3.81Å; L797-F800 HydrophobicContact CD2-CE2 3.97Å; L797-F800 PolarHBondContact O-N 3.38Å; K798-F800 PolarHBondContact O-N 2.79Å; F800-V803 PolarHBondContact O-N 3.34Å; F800-K804 WeakPolarHBondContact O-CB 3.48Å; F800-K804 PolarHBondContact O-N 3.3Å; F800-L885 HydrophobicContact CB-CD2 4.04Å
801	M	93.9	Very high	93.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-75.2	-23.9	177.4	-64.7	-176.5	-77.1	0	0	113.6	L797 K798 F799 V803 G805 I807 F822 F828 V848	L797-M801 HydrophobicContact CB-CE 4.36Å; L797-M801 WeakPolarHBondContact O-CE 3.27Å; L797-M801 WeakPolarHBondContact O-CG 3.37Å; L797-M801 PolarHBondContact O-N 2.95Å; K798-M801 CarbonylContact O-C 3.57Å; K798-M801 PolarHBondContact O-N 3.01Å; F799-M801 VanDerWaalsContact C-N 3.34Å; M801-V803 PolarHBondContact O-N 3.06Å; M801-G805 WeakPolarHBondContact CA-O 3.18Å; M801-G805 WeakPolarHBondContact CB-O 3.43Å; M801-G805 WeakPolarHBondContact CG-O 3.32Å; M801-G805 WeakPolarHBondContact O-CA 3.43Å; M801-G805 PolarHBondContact O-N 3.04Å; M801-I807 HydrophobicContact CG-CD1 4.45Å; M801-I807 HydrophobicContact CG-CG1 3.74Å; M801-I807 HydrophobicContact SD-CG1 3.89Å; M801-F822 HydrophobicContact CE-CZ 4.46Å; M801-F828 HydrophobicContact CE-CB 4.01Å; M801-F828 HydrophobicContact CE-CD1 3.68Å; M801-F828 HydrophobicContact CE-CD2 3.55Å; M801-F828 HydrophobicContact CE-CE1 3.94Å; M801-F828 HydrophobicContact CE-CE2 3.83Å; M801-F828 HydrophobicContact CE-CG 3.47Å; M801-F828 VanDerWaalsContact CE-CG 3.47Å; M801-F828 HydrophobicContact CE-CZ 4.02Å; M801-V848 HydrophobicContact CB-CB 4.27Å; M801-V848 HydrophobicContact CB-CG1 3.65Å; M801-V848 HydrophobicContact SD-CB 4.47Å; M801-V848 HydrophobicContact SD-CG2 4.26Å
802	D	92.9	Very high	94	Very high	13 Å²	13	29 Å²	29	7%	0.07	14%	0.143	C	C	.	.	H	α-helix	trans	-65.1	-29.1	169.2	-76.9	-42.9	0	0	0	112	K798 F799 P850 S851 R852	K798-D802 IonicContact NZ-OD1 3.85Å; K798-D802 PolarHBondContact NZ-OD1 3Å; K798-D802 IonicContact NZ-OD2 2.79Å; K798-D802 PolarHBondContact NZ-OD2 3.33Å; K798-D802 PolarHBondContact O-N 2.87Å; F799-D802 PolarHBondContact O-N 2.96Å; D802-P850 CarbonylContact O-C 3.42Å; D802-P850 WeakPolarHBondContact O-CA 3.41Å; D802-S851 VanDerWaalsContact CB-OG 3.24Å; D802-S851 WeakPolarHBondContact CB-OG 3.44Å; D802-S851 PolarHBondContact O-N 3.29Å; D802-S851 PolarHBondContact OD1-OG 2.86Å; D802-R852 HydrophobicContact CB-CB 4.45Å; D802-R852 HydrophobicContact CB-CG 4.17Å; D802-R852 PolarHBondContact O-N 3.05Å
803	V	92.7	Very high	94	Very high	17 Å²	17	34.1 Å²	34.1	10%	0.103	16%	0.155	C	C	.	.	H	α-helix	trans	-91.7	-37.7	176.1	174.9	0	0	0	0	112.7	F788 F799 F800 M801 R852 L854	F788-V803 HydrophobicContact CE1-CG2 3.95Å; F799-V803 PolarHBondContact O-N 3.42Å; F800-V803 PolarHBondContact O-N 3.34Å; M801-V803 PolarHBondContact O-N 3.06Å; V803-R852 HydrophobicContact CG2-CB 3.86Å; V803-L854 HydrophobicContact CG1-CD1 3.8Å; V803-L854 HydrophobicContact CG1-CD2 4.13Å; V803-L854 HydrophobicContact CG1-CG 3.76Å
804	K	92.1	Very high	94	Very high	69 Å²	69	39.6 Å²	39.6	30%	0.3	18%	0.178	S	C	.	.	H	α-helix	trans	-114.1	-5	-170.9	-69.6	-58.6	-161.9	173.7	0	115.9	F800 E880 F883 L885	F800-K804 WeakPolarHBondContact O-CB 3.48Å; F800-K804 PolarHBondContact O-N 3.3Å; K804-E880 PolarHBondContact NZ-O 3.43Å; K804-F883 WeakPolarHBondContact CE-O 3.38Å; K804-L885 HydrophobicContact CB-CD1 3.66Å; K804-L885 HydrophobicContact CB-CD2 4.26Å; K804-L885 HydrophobicContact CB-CG 3.92Å; K804-L885 HydrophobicContact CG-CD2 4.49Å; K804-L885 HydrophobicContact CG-CG 4.3Å
805	G	91.8	Very high	93.9	Very high	7 Å²	7	39.4 Å²	39.4	7%	0.072	18%	0.178	C	C	.	.			trans	77.5	177.2	-170.8	0	0	0	0	0	112.9	M801 I807	M801-G805 WeakPolarHBondContact CA-O 3.18Å; M801-G805 WeakPolarHBondContact CB-O 3.43Å; M801-G805 WeakPolarHBondContact CG-O 3.32Å; M801-G805 WeakPolarHBondContact O-CA 3.43Å; M801-G805 PolarHBondContact O-N 3.04Å; G805-I807 PolarHBondContact O-N 3.19Å
806	K	91.2	Very high	93.9	Very high	56 Å²	56	43.2 Å²	43.2	24%	0.243	20%	0.195	C	C	.	.	S	Bend	trans	-48.6	130.7	-177.9	-173.9	173.3	-177.3	171.4	0	112.9	C826 N827 P846 V848	K806-C826 WeakPolarHBondContact CE-O 3.38Å; K806-C826 PolarHBondContact NZ-O 3.33Å; K806-N827 PolarHBondContact NZ-OD1 2.86Å; K806-P846 PolarHBondContact NZ-O 3.42Å; K806-V848 HydrophobicContact CB-CB 4.37Å; K806-V848 PolarHBondContact N-O 3.32Å
807	I	93.5	Very high	93.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-58.1	133.9	175.1	-56	-177.6	0	0	0	109.5	L761 L797 M801 G805 N809 I811 I812 F822 L885	L761-I807 HydrophobicContact CD1-CD1 4.29Å; L797-I807 HydrophobicContact CD2-CD1 4.05Å; M801-I807 HydrophobicContact CG-CD1 4.45Å; M801-I807 HydrophobicContact CG-CG1 3.74Å; M801-I807 HydrophobicContact SD-CG1 3.89Å; G805-I807 PolarHBondContact O-N 3.19Å; I807-N809 PolarHBondContact O-N 3.46Å; I807-I811 HydrophobicContact CG2-CB 4.06Å; I807-I811 HydrophobicContact CG2-CG2 4.11Å; I807-I812 HydrophobicContact CB-CD1 4.19Å; I807-I812 HydrophobicContact CB-CG1 4.07Å; I807-I812 HydrophobicContact CG2-CG1 3.9Å; I807-I812 VanDerWaalsContact O-CD1 3.28Å; I807-I812 WeakPolarHBondContact O-CD1 3.37Å; I807-F822 HydrophobicContact CD1-CZ 4.11Å; I807-L885 HydrophobicContact CG1-CD1 4.2Å
808	P	93.4	Very high	93.7	Very high	61 Å²	61	49.2 Å²	49.2	40%	0.396	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-60.8	133.7	-179.6	-23.8	33.5	0	0	0	112.4	R810 I811 I812	P808-R810 PolarHBondContact O-N 2.71Å; P808-I811 HydrophobicContact CB-CG1 4.37Å; P808-I811 WeakPolarHBondContact O-CA 3.46Å; P808-I811 WeakPolarHBondContact O-CB 3.35Å; P808-I811 PolarHBondContact O-N 3.32Å; P808-I812 PolarHBondContact O-N 2.78Å
809	N	93.9	Very high	93.6	Very high	58 Å²	58	53.4 Å²	53.4	31%	0.31	24%	0.239	S	C	.	.	H	α-helix	trans	-54.9	-27.1	-178.8	-60.2	21.5	0	0	0	113.5	I807 I811 R813 C826	I807-N809 PolarHBondContact O-N 3.46Å; N809-I811 VanDerWaalsContact C-N 3.26Å; N809-I811 PolarHBondContact O-N 2.78Å; N809-R813 WeakPolarHBondContact O-CB 3.48Å; N809-R813 VanDerWaalsContact O-CG 3.26Å; N809-R813 WeakPolarHBondContact O-CG 3.34Å; N809-R813 PolarHBondContact O-N 2.9Å; N809-R813 VanDerWaalsContact O-N 3.09Å; N809-C826 HydrophobicContact CB-CB 4.17Å
810	R	93.9	Very high	93.5	Very high	144 Å²	144	56.2 Å²	56.2	54%	0.543	25%	0.253	S	S	.	.	H	α-helix	trans	-60.7	-32.5	173	-168.6	-173.6	81.5	121.8	-1.1	113.1	P808 D886	P808-R810 PolarHBondContact O-N 2.71Å; R810-D886 IonicContact CZ-OD2 2.7Å; R810-D886 IonicContact NE-OD2 2.7Å; R810-D886 IonicContact NH2-OD1 3.57Å; R810-D886 PolarHBondContact NH2-OD1 3.37Å; R810-D886 IonicContact NH2-OD2 3.52Å; R810-D886 PolarHBondContact NH2-OD2 3.06Å
811	I	94.4	Very high	93.5	Very high	6 Å²	6	56.6 Å²	56.6	3%	0.031	26%	0.255	C	S	.	.	H	α-helix	trans	-85.6	-46.5	179.4	-56.3	-55.6	0	0	0	109.7	L761 I763 I807 P808 N809 R813 K814 D886	L761-I811 HydrophobicContact CD1-CG2 4.31Å; I763-I811 HydrophobicContact CD1-CG2 3.52Å; I763-I811 WeakPolarHBondContact CD1-O 3.32Å; I807-I811 HydrophobicContact CG2-CB 4.06Å; I807-I811 HydrophobicContact CG2-CG2 4.11Å; P808-I811 HydrophobicContact CB-CG1 4.37Å; P808-I811 WeakPolarHBondContact O-CA 3.46Å; P808-I811 WeakPolarHBondContact O-CB 3.35Å; P808-I811 PolarHBondContact O-N 3.32Å; N809-I811 VanDerWaalsContact C-N 3.26Å; N809-I811 PolarHBondContact O-N 2.78Å; I811-R813 VanDerWaalsContact C-N 3.27Å; I811-R813 PolarHBondContact O-N 3.19Å; I811-K814 WeakPolarHBondContact O-CB 3.5Å; I811-K814 PolarHBondContact O-N 3.49Å; I811-D886 HydrophobicContact CD1-CB 4.06Å; I811-D886 HydrophobicContact CG1-CB 4.22Å
812	I	94.9	Very high	93.5	Very high	1 Å²	1	57 Å²	57	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-52.3	-45.8	176.7	-61.9	166.7	0	0	0	111.3	I807 P808 K814 G815 R818 F822 C826	I807-I812 HydrophobicContact CB-CD1 4.19Å; I807-I812 HydrophobicContact CB-CG1 4.07Å; I807-I812 HydrophobicContact CG2-CG1 3.9Å; I807-I812 VanDerWaalsContact O-CD1 3.28Å; I807-I812 WeakPolarHBondContact O-CD1 3.37Å; P808-I812 PolarHBondContact O-N 2.78Å; I812-K814 VanDerWaalsContact C-N 3.25Å; I812-K814 PolarHBondContact O-N 2.9Å; I812-G815 PolarHBondContact O-N 3.48Å; I812-G815 VanDerWaalsContact O-N 3.17Å; I812-R818 HydrophobicContact CG2-CB 4.27Å; I812-R818 WeakPolarHBondContact O-CB 3.4Å; I812-F822 HydrophobicContact CD1-CD1 3.61Å; I812-F822 HydrophobicContact CD1-CE1 3.42Å; I812-F822 VanDerWaalsContact CD1-CE1 3.42Å; I812-F822 HydrophobicContact CD1-CE2 4.5Å; I812-F822 HydrophobicContact CD1-CG 4.25Å; I812-F822 HydrophobicContact CD1-CZ 3.92Å; I812-F822 HydrophobicContact CG1-CD1 4.22Å; I812-F822 HydrophobicContact CG1-CD2 4.39Å; I812-F822 HydrophobicContact CG1-CE1 4.01Å; I812-F822 HydrophobicContact CG1-CE2 4.21Å; I812-F822 HydrophobicContact CG1-CG 4.42Å; I812-F822 HydrophobicContact CG1-CZ 4.02Å; I812-F822 HydrophobicContact CG2-CB 3.88Å; I812-F822 HydrophobicContact CG2-CD1 4.11Å; I812-F822 HydrophobicContact CG2-CD2 3.82Å; I812-F822 HydrophobicContact CG2-CE2 4.44Å; I812-F822 HydrophobicContact CG2-CG 3.65Å; I812-C826 HydrophobicContact CD1-CB 3.99Å; I812-C826 HydrophobicContact CG2-CB 4.25Å
813	R	94.3	Very high	93.5	Very high	158 Å²	158	58.6 Å²	58.6	60%	0.596	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-22	-179	-71	170.5	-172.5	166.4	-0.6	114.8	N809 I811 R818	N809-R813 WeakPolarHBondContact O-CB 3.48Å; N809-R813 VanDerWaalsContact O-CG 3.26Å; N809-R813 WeakPolarHBondContact O-CG 3.34Å; N809-R813 PolarHBondContact O-N 2.9Å; N809-R813 VanDerWaalsContact O-N 3.09Å; I811-R813 VanDerWaalsContact C-N 3.27Å; I811-R813 PolarHBondContact O-N 3.19Å; R813-R818 PolarHBondContact O-NH1 2.89Å
814	K	94.1	Very high	93.4	Very high	129 Å²	129	65.9 Å²	65.9	56%	0.561	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-18.2	176.3	-76.6	-172.8	166.1	-153.9	0	113.5	I763 I811 I812	I763-K814 HydrophobicContact CD1-CB 4.34Å; I763-K814 HydrophobicContact CG1-CB 4.24Å; I763-K814 HydrophobicContact CG2-CB 4.43Å; I811-K814 WeakPolarHBondContact O-CB 3.5Å; I811-K814 PolarHBondContact O-N 3.49Å; I812-K814 VanDerWaalsContact C-N 3.25Å; I812-K814 PolarHBondContact O-N 2.9Å
815	G	94.4	Very high	93.3	Very high	2 Å²	2	66.3 Å²	66.3	2%	0.021	31%	0.31	C	S	.	.			trans	-77.2	129.7	-176.6	0	0	0	0	0	112.2	L761 I812 R818	L761-G815 CarbonylContact O-C 3.56Å; L761-G815 WeakPolarHBondContact O-CA 3.49Å; I812-G815 PolarHBondContact O-N 3.48Å; I812-G815 VanDerWaalsContact O-N 3.17Å; G815-R818 WeakPolarHBondContact O-CB 3.38Å; G815-R818 WeakPolarHBondContact O-CD 3.28Å; G815-R818 WeakPolarHBondContact O-CG 3.2Å
816	Q	94.8	Very high	93.3	Very high	117 Å²	117	66.3 Å²	66.3	55%	0.547	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-64.2	-43	170.8	-66.4	177	-6.2	0	0	111	L761 G762 R818	L761-Q816 PolarHBondContact O-N 3.27Å; G762-Q816 WeakPolarHBondContact O-CG 3.48Å; G762-Q816 PolarHBondContact O-N 2.88Å; Q816-R818 VanDerWaalsContact C-N 3.27Å; Q816-R818 PolarHBondContact O-N 2.93Å
817	F	94.1	Very high	93.4	Very high	42 Å²	42	65.1 Å²	65.1	18%	0.184	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-88.1	13.3	-177.9	-47.4	-49.8	0	0	0	113.7	I745 P747 L761 E819 Q820	I745-F817 HydrophobicContact CG2-CE2 4.14Å; I745-F817 HydrophobicContact CG2-CZ 4.4Å; I745-F817 WeakPolarHBondContact O-CZ 3.42Å; P747-F817 HydrophobicContact CB-CD2 3.68Å; P747-F817 HydrophobicContact CB-CE2 3.8Å; P747-F817 HydrophobicContact CB-CG 4.47Å; P747-F817 HydrophobicContact CG-CD2 4.13Å; P747-F817 HydrophobicContact CG-CE2 3.91Å; P747-F817 HydrophobicContact CG-CZ 4.31Å; L761-F817 PolarHBondContact O-N 3.44Å; F817-E819 PolarHBondContact O-N 2.8Å; F817-E819 VanDerWaalsContact O-N 3.09Å; F817-Q820 WeakPolarHBondContact O-CB 3.37Å; F817-Q820 PolarHBondContact O-N 3.33Å
818	R	93.4	Very high	93.4	Very high	84 Å²	84	65.1 Å²	65.1	32%	0.317	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-53.7	-34.4	-176.1	71.5	-174.2	-176.1	-143.5	-7.4	113.1	I812 R813 G815 Q816 Q820 H821 F822	I812-R818 HydrophobicContact CG2-CB 4.27Å; I812-R818 WeakPolarHBondContact O-CB 3.4Å; R813-R818 PolarHBondContact O-NH1 2.89Å; G815-R818 WeakPolarHBondContact O-CB 3.38Å; G815-R818 WeakPolarHBondContact O-CD 3.28Å; G815-R818 WeakPolarHBondContact O-CG 3.2Å; Q816-R818 VanDerWaalsContact C-N 3.27Å; Q816-R818 PolarHBondContact O-N 2.93Å; R818-Q820 VanDerWaalsContact C-N 3.28Å; R818-Q820 PolarHBondContact O-N 3.43Å; R818-H821 CarbonylContact O-C 3.56Å; R818-H821 PolarHBondContact O-N 3.5Å; R818-F822 PolarHBondContact O-N 3.18Å
819	E	92.8	Very high	93.4	Very high	119 Å²	119	63.6 Å²	63.6	56%	0.556	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-76.5	-18.4	-169.5	-53.4	-173.1	174.8	0	0	112	F817 H821	F817-E819 PolarHBondContact O-N 2.8Å; F817-E819 VanDerWaalsContact O-N 3.09Å; E819-H821 PolarHBondContact O-N 3.44Å
820	Q	92.6	Very high	93.3	Very high	97 Å²	97	62.3 Å²	62.3	45%	0.453	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-70.2	-15	169	-56.5	-179.4	8.2	0	0	112.7	F817 R818	F817-Q820 WeakPolarHBondContact O-CB 3.37Å; F817-Q820 PolarHBondContact O-N 3.33Å; R818-Q820 VanDerWaalsContact C-N 3.28Å; R818-Q820 PolarHBondContact O-N 3.43Å
821	H	93.8	Very high	93.1	Very high	9 Å²	9	58 Å²	58	4%	0.042	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-137.3	-15	-165	-63.6	-18.5	0	0	0	114.3	N794 L797 R818 E819 F828 L829	N794-H821 PolarHBondContact ND2-ND1 3.28Å; L797-H821 HydrophobicContact CD1-CB 3.88Å; L797-H821 WeakPolarHBondContact CD1-CD2 3.4Å; R818-H821 CarbonylContact O-C 3.56Å; R818-H821 PolarHBondContact O-N 3.5Å; E819-H821 PolarHBondContact O-N 3.44Å; H821-F828 HydrophobicContact CB-CE2 4.47Å; H821-F828 WeakPolarHBondContact O-CD2 3.3Å; H821-L829 PolarHBondContact O-N 2.89Å
822	F	95	Very high	92.6	Very high	7 Å²	7	61.5 Å²	61.5	3%	0.031	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-140.9	144.9	-177.7	-66.4	-90.2	0	0	0	111.9	L761 L797 M801 I807 I812 R818 N827 F828	L761-F822 HydrophobicContact CD2-CD2 4.33Å; L761-F822 HydrophobicContact CD2-CE2 3.84Å; L797-F822 HydrophobicContact CD1-CE2 4.02Å; M801-F822 HydrophobicContact CE-CZ 4.46Å; I807-F822 HydrophobicContact CD1-CZ 4.11Å; I812-F822 HydrophobicContact CD1-CD1 3.61Å; I812-F822 HydrophobicContact CD1-CE1 3.42Å; I812-F822 VanDerWaalsContact CD1-CE1 3.42Å; I812-F822 HydrophobicContact CD1-CE2 4.5Å; I812-F822 HydrophobicContact CD1-CG 4.25Å; I812-F822 HydrophobicContact CD1-CZ 3.92Å; I812-F822 HydrophobicContact CG1-CD1 4.22Å; I812-F822 HydrophobicContact CG1-CD2 4.39Å; I812-F822 HydrophobicContact CG1-CE1 4.01Å; I812-F822 HydrophobicContact CG1-CE2 4.21Å; I812-F822 HydrophobicContact CG1-CG 4.42Å; I812-F822 HydrophobicContact CG1-CZ 4.02Å; I812-F822 HydrophobicContact CG2-CB 3.88Å; I812-F822 HydrophobicContact CG2-CD1 4.11Å; I812-F822 HydrophobicContact CG2-CD2 3.82Å; I812-F822 HydrophobicContact CG2-CE2 4.44Å; I812-F822 HydrophobicContact CG2-CG 3.65Å; R818-F822 PolarHBondContact O-N 3.18Å; F822-N827 CarbonylContact C-O 3.6Å; F822-N827 WeakPolarHBondContact CA-O 3.45Å; F822-N827 WeakPolarHBondContact CD1-O 3.49Å; F822-F828 HydrophobicContact CD1-CB 4.15Å; F822-F828 HydrophobicContact CD1-CD2 4.41Å; F822-F828 HydrophobicContact CE1-CB 3.79Å; F822-F828 AromaticContact CE1-CD2 3.9Å; F822-F828 HydrophobicContact CE1-CD2 3.9Å; F822-F828 HydrophobicContact CE1-CG 4.32Å; F822-F828 HydrophobicContact CE2-CD2 4.24Å; F822-F828 HydrophobicContact CZ-CB 4.49Å; F822-F828 AromaticContact CZ-CD2 3.8Å; F822-F828 HydrophobicContact CZ-CD2 3.8Å
823	D	92.3	Very high	91.9	Very high	47 Å²	47	66.1 Å²	66.1	25%	0.251	31%	0.31	S	S	.	.			trans	-75.4	173.1	170.8	76.9	6.5	0	0	0	112.4	S825 C826 N827 L829	D823-S825 PolarHBondContact O-N 3.24Å; D823-S825 VanDerWaalsContact O-N 3.08Å; D823-S825 WeakPolarHBondContact OD1-CA 3.37Å; D823-S825 VanDerWaalsContact OD1-CB 3.28Å; D823-S825 WeakPolarHBondContact OD1-CB 3.14Å; D823-S825 PolarHBondContact OD1-N 3.41Å; D823-C826 WeakPolarHBondContact O-CA 3.44Å; D823-C826 PolarHBondContact O-N 2.83Å; D823-C826 PolarHBondContact OD1-N 3.01Å; D823-N827 PolarHBondContact N-O 3.31Å; D823-N827 WeakPolarHBondContact OD1-CB 3.49Å; D823-N827 PolarHBondContact OD1-N 2.68Å; D823-N827 PolarHBondContact OD1-ND2 2.72Å; D823-N827 WeakPolarHBondContact OD2-CB 3.46Å; D823-N827 PolarHBondContact OD2-ND2 2.7Å; D823-L829 HydrophobicContact CB-CD2 4.23Å
824	Q	90.3	Very high	91.2	Very high	170 Å²	170	61 Å²	61	79%	0.794	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-20	177.3	-160.2	68.5	-11.2	0	0	113.7
825	S	90.6	Very high	90.3	Very high	79 Å²	79	63.4 Å²	63.4	55%	0.552	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	3.8	175	-63.1	0	0	0	0	113.3	D823 N827	D823-S825 PolarHBondContact O-N 3.24Å; D823-S825 VanDerWaalsContact O-N 3.08Å; D823-S825 WeakPolarHBondContact OD1-CA 3.37Å; D823-S825 VanDerWaalsContact OD1-CB 3.28Å; D823-S825 WeakPolarHBondContact OD1-CB 3.14Å; D823-S825 PolarHBondContact OD1-N 3.41Å; S825-N827 VanDerWaalsContact C-N 3.3Å; S825-N827 WeakPolarHBondContact CB-ND2 3.48Å; S825-N827 PolarHBondContact O-N 3.25Å
826	C	91.3	Very high	89.4	Confident	7 Å²	7	71 Å²	71	5%	0.047	34%	0.344	C	S	.	.			trans	60.8	32	-172.3	-52.5	0	0	0	0	113.5	K806 N809 I812 D823	K806-C826 WeakPolarHBondContact CE-O 3.38Å; K806-C826 PolarHBondContact NZ-O 3.33Å; N809-C826 HydrophobicContact CB-CB 4.17Å; I812-C826 HydrophobicContact CD1-CB 3.99Å; I812-C826 HydrophobicContact CG2-CB 4.25Å; D823-C826 WeakPolarHBondContact O-CA 3.44Å; D823-C826 PolarHBondContact O-N 2.83Å; D823-C826 PolarHBondContact OD1-N 3.01Å
827	N	92.9	Very high	88.6	Confident	31 Å²	31	69 Å²	69	17%	0.166	34%	0.34	C	S	.	.			trans	-84.9	145.4	165.2	-53.5	-47.9	0	0	0	109.7	K806 F822 D823 S825 V844 P846	K806-N827 PolarHBondContact NZ-OD1 2.86Å; F822-N827 CarbonylContact C-O 3.6Å; F822-N827 WeakPolarHBondContact CA-O 3.45Å; F822-N827 WeakPolarHBondContact CD1-O 3.49Å; D823-N827 PolarHBondContact N-O 3.31Å; D823-N827 WeakPolarHBondContact OD1-CB 3.49Å; D823-N827 PolarHBondContact OD1-N 2.68Å; D823-N827 PolarHBondContact OD1-ND2 2.72Å; D823-N827 WeakPolarHBondContact OD2-CB 3.46Å; D823-N827 PolarHBondContact OD2-ND2 2.7Å; S825-N827 VanDerWaalsContact C-N 3.3Å; S825-N827 WeakPolarHBondContact CB-ND2 3.48Å; S825-N827 PolarHBondContact O-N 3.25Å; N827-V844 HydrophobicContact CB-CG1 3.89Å; N827-P846 HydrophobicContact CB-CB 4.42Å; N827-P846 WeakPolarHBondContact OD1-CA 3.24Å
828	F	94.6	Very high	88	Confident	0 Å²	0	75.1 Å²	75.1	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	132.6	-176.4	177.2	-118.1	0	0	0	111	N794 L797 K798 M801 H821 F822 Y830 M845 V848	N794-F828 WeakPolarHBondContact ND2-CE2 3.24Å; N794-F828 WeakPolarHBondContact O-CZ 3.22Å; N794-F828 WeakPolarHBondContact OD1-CZ 3.4Å; L797-F828 HydrophobicContact CB-CE2 4.04Å; L797-F828 HydrophobicContact CB-CZ 4.39Å; L797-F828 HydrophobicContact CD1-CE2 4.42Å; K798-F828 HydrophobicContact CB-CE1 3.85Å; K798-F828 HydrophobicContact CB-CZ 4.02Å; K798-F828 HydrophobicContact CD-CE1 4.04Å; K798-F828 HydrophobicContact CG-CE1 4.4Å; M801-F828 HydrophobicContact CE-CB 4.01Å; M801-F828 HydrophobicContact CE-CD1 3.68Å; M801-F828 HydrophobicContact CE-CD2 3.55Å; M801-F828 HydrophobicContact CE-CE1 3.94Å; M801-F828 HydrophobicContact CE-CE2 3.83Å; M801-F828 HydrophobicContact CE-CG 3.47Å; M801-F828 VanDerWaalsContact CE-CG 3.47Å; M801-F828 HydrophobicContact CE-CZ 4.02Å; H821-F828 HydrophobicContact CB-CE2 4.47Å; H821-F828 WeakPolarHBondContact O-CD2 3.3Å; F822-F828 HydrophobicContact CD1-CB 4.15Å; F822-F828 HydrophobicContact CD1-CD2 4.41Å; F822-F828 HydrophobicContact CE1-CB 3.79Å; F822-F828 AromaticContact CE1-CD2 3.9Å; F822-F828 HydrophobicContact CE1-CD2 3.9Å; F822-F828 HydrophobicContact CE1-CG 4.32Å; F822-F828 HydrophobicContact CE2-CD2 4.24Å; F822-F828 HydrophobicContact CZ-CB 4.49Å; F822-F828 AromaticContact CZ-CD2 3.8Å; F822-F828 HydrophobicContact CZ-CD2 3.8Å; F828-Y830 AromaticContact CE1-CD2 3.76Å; F828-Y830 HydrophobicContact CE1-CD2 3.76Å; F828-Y830 HydrophobicContact CE1-CG 4.04Å; F828-Y830 HydrophobicContact CZ-CD2 4.23Å; F828-M845 HydrophobicContact CB-CB 4.34Å; F828-M845 HydrophobicContact CD1-CB 4.4Å; F828-M845 HydrophobicContact CD1-CG 4.47Å; F828-M845 HydrophobicContact CD1-SD 4.23Å; F828-M845 PolarHBondContact N-O 3.37Å; F828-M845 VanDerWaalsContact N-O 3.14Å; F828-M845 PolarHBondContact O-N 2.9Å; F828-V848 HydrophobicContact CB-CG2 4.49Å
829	L	93.3	Very high	87.4	Confident	28 Å²	28	80.2 Å²	80.2	15%	0.147	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	99	173.1	-60.2	179.2	0	0	0	107.2	N794 H821 D823 H831 I842 V844	N794-L829 PolarHBondContact ND2-O 3.4Å; N794-L829 PolarHBondContact OD1-O 2.77Å; H821-L829 PolarHBondContact O-N 2.89Å; D823-L829 HydrophobicContact CB-CD2 4.23Å; L829-H831 PolarHBondContact O-CD2 2.7Å; L829-I842 HydrophobicContact CB-CG2 3.86Å; L829-I842 HydrophobicContact CD2-CG2 3.96Å; L829-I842 HydrophobicContact CG-CG2 4.4Å; L829-V844 HydrophobicContact CD2-CG1 4.48Å; L829-V844 HydrophobicContact CD2-CG2 3.9Å
830	Y	92.1	Very high	86.9	Confident	32 Å²	32	81.4 Å²	81.4	13%	0.125	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	122.6	177.6	-178.4	-128	0	0	0	110.3	K798 F828 E832 I842 V843	K798-Y830 HydrophobicContact CB-CD2 3.94Å; K798-Y830 HydrophobicContact CB-CE2 3.92Å; K798-Y830 HydrophobicContact CD-CD2 4.32Å; K798-Y830 HydrophobicContact CG-CD2 3.9Å; K798-Y830 HydrophobicContact CG-CE2 3.75Å; F828-Y830 AromaticContact CE1-CD2 3.76Å; F828-Y830 HydrophobicContact CE1-CD2 3.76Å; F828-Y830 HydrophobicContact CE1-CG 4.04Å; F828-Y830 HydrophobicContact CZ-CD2 4.23Å; Y830-E832 HydrophobicContact CD1-CB 4.08Å; Y830-E832 HydrophobicContact CE1-CB 3.72Å; Y830-E832 HydrophobicContact CE1-CG 4.11Å; Y830-I842 CarbonylContact O-C 3.46Å; Y830-I842 WeakPolarHBondContact O-CA 3.29Å; Y830-V843 PolarHBondContact N-O 3.17Å; Y830-V843 PolarHBondContact O-N 3.31Å
831	H	88.8	Confident	86.7	Confident	54 Å²	54	82.5 Å²	82.5	25%	0.25	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	103	177.4	-67.4	-146.3	0	0	0	108.4	N794 L829 E840	N794-H831 PolarHBondContact OD1-N 2.93Å; L829-H831 PolarHBondContact O-CD2 2.7Å; H831-E840 IonicContact ND1-OE2 2.65Å
832	E	84.5	Confident	86.5	Confident	78 Å²	78	86.7 Å²	86.7	36%	0.364	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	141.1	174.9	-169.5	164.6	-166.5	0	0	110.1	Y830 K841	Y830-E832 HydrophobicContact CD1-CB 4.08Å; Y830-E832 HydrophobicContact CE1-CB 3.72Å; Y830-E832 HydrophobicContact CE1-CG 4.11Å; E832-K841 PolarHBondContact N-O 2.81Å; E832-K841 PolarHBondContact O-N 2.83Å
833	I	81.1	Confident	86.2	Confident	99 Å²	99	88.9 Å²	88.9	51%	0.508	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	120.2	168.9	-58.7	174.1	0	0	0	107.2	K835	I833-K835 PolarHBondContact O-N 3.28Å
834	D	78.6	Confident	86.1	Confident	49 Å²	49	90.3 Å²	90.3	26%	0.262	44%	0.443	S	S	.	.			trans	-68.6	123.7	178.7	175.4	26	0	0	0	111.1	L836 T837 E838 R839	D834-L836 PolarHBondContact O-N 2.84Å; D834-L836 VanDerWaalsContact O-N 3.13Å; D834-L836 PolarHBondContact OD1-N 3.42Å; D834-T837 WeakPolarHBondContact CB-OG1 3.34Å; D834-T837 PolarHBondContact O-N 3.29Å; D834-T837 WeakPolarHBondContact OD2-CG2 3.31Å; D834-T837 PolarHBondContact OD2-OG1 2.98Å; D834-E838 WeakPolarHBondContact O-CA 3.49Å; D834-E838 PolarHBondContact O-N 3.41Å; D834-R839 PolarHBondContact N-O 3.25Å
835	K	76.1	Confident	86	Confident	180 Å²	180	84.5 Å²	84.5	78%	0.783	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-13.5	-172.1	-58.7	176.8	-174	173.5	0	114.3	I833	I833-K835 PolarHBondContact O-N 3.28Å
836	L	75.4	Confident	85.4	Confident	161 Å²	161	84.1 Å²	84.1	84%	0.843	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	-19.5	-179.9	-68.2	173.4	0	0	0	113.5	D834	D834-L836 PolarHBondContact O-N 2.84Å; D834-L836 VanDerWaalsContact O-N 3.13Å; D834-L836 PolarHBondContact OD1-N 3.42Å
837	T	77.6	Confident	84.9	Confident	75 Å²	75	88.7 Å²	88.7	46%	0.46	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.8	-7	-175.3	64.2	0	0	0	0	114.2	D834 R839	D834-T837 WeakPolarHBondContact CB-OG1 3.34Å; D834-T837 PolarHBondContact O-N 3.29Å; D834-T837 WeakPolarHBondContact OD2-CG2 3.31Å; D834-T837 PolarHBondContact OD2-OG1 2.98Å; T837-R839 WeakPolarHBondContact O-CG 3.32Å; T837-R839 PolarHBondContact O-N 3.5Å
838	E	80.2	Confident	84.5	Confident	172 Å²	172	87.6 Å²	87.6	80%	0.804	43%	0.434	S	S	*	.			trans	54.5	12.9	-174.8	-56.2	-159	137	0	0	115.3	D834	D834-E838 WeakPolarHBondContact O-CA 3.49Å; D834-E838 PolarHBondContact O-N 3.41Å
839	R	81.7	Confident	83.9	Confident	190 Å²	190	95.4 Å²	95.4	72%	0.717	47%	0.468	S	S	*	.			trans	-91.1	150.4	179.6	-69.9	167.9	-170	-157.6	-0.5	111.3	D834 T837	D834-R839 PolarHBondContact N-O 3.25Å; T837-R839 WeakPolarHBondContact O-CG 3.32Å; T837-R839 PolarHBondContact O-N 3.5Å
840	E	82.9	Confident	83.7	Confident	145 Å²	145	98 Å²	98	68%	0.678	49%	0.487	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.6	133.2	170.9	-62.3	-155.9	151.3	0	0	110.9	H831	H831-E840 IonicContact ND1-OE2 2.65Å
841	K	87.4	Confident	83.4	Confident	119 Å²	119	100.5 Å²	100.5	52%	0.517	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	116.9	179.7	-179.1	179.7	-179.2	176.5	0	109	E832 V843	E832-K841 PolarHBondContact N-O 2.81Å; E832-K841 PolarHBondContact O-N 2.83Å; K841-V843 HydrophobicContact CG-CG2 4.31Å
842	I	88.9	Confident	83.3	Confident	98 Å²	98	100.8 Å²	100.8	50%	0.503	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	119.4	176.2	-57	177.7	0	0	0	109	L829 Y830	L829-I842 HydrophobicContact CB-CG2 3.86Å; L829-I842 HydrophobicContact CD2-CG2 3.96Å; L829-I842 HydrophobicContact CG-CG2 4.4Å; Y830-I842 CarbonylContact O-C 3.46Å; Y830-I842 WeakPolarHBondContact O-CA 3.29Å
843	V	89.3	Confident	83.5	Confident	52 Å²	52	99.3 Å²	99.3	32%	0.315	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	111.2	177	-179	0	0	0	0	109	Y830 K841 M845	Y830-V843 PolarHBondContact N-O 3.17Å; Y830-V843 PolarHBondContact O-N 3.31Å; K841-V843 HydrophobicContact CG-CG2 4.31Å; V843-M845 HydrophobicContact CG1-CG 4.49Å; V843-M845 PolarHBondContact O-N 3.36Å
844	V	90.9	Very high	83.8	Confident	78 Å²	78	94.8 Å²	94.8	47%	0.473	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	117.9	178.3	-171.1	0	0	0	0	109.9	N827 L829 P846	N827-V844 HydrophobicContact CB-CG1 3.89Å; L829-V844 HydrophobicContact CD2-CG1 4.48Å; L829-V844 HydrophobicContact CD2-CG2 3.9Å; V844-P846 VanDerWaalsContact O-CD 3.24Å; V844-P846 WeakPolarHBondContact O-CD 3.46Å
845	M	87.3	Confident	84.1	Confident	47 Å²	47	95.9 Å²	95.9	23%	0.232	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	91.4	178.5	-59	-165.8	77.4	0	0	110.4	K798 F828 V843 V848	K798-M845 HydrophobicContact CD-SD 4.06Å; F828-M845 HydrophobicContact CB-CB 4.34Å; F828-M845 HydrophobicContact CD1-CB 4.4Å; F828-M845 HydrophobicContact CD1-CG 4.47Å; F828-M845 HydrophobicContact CD1-SD 4.23Å; F828-M845 PolarHBondContact N-O 3.37Å; F828-M845 VanDerWaalsContact N-O 3.14Å; F828-M845 PolarHBondContact O-N 2.9Å; V843-M845 HydrophobicContact CG1-CG 4.49Å; V843-M845 PolarHBondContact O-N 3.36Å; M845-V848 HydrophobicContact CB-CG2 3.86Å; M845-V848 HydrophobicContact CE-CG2 4.37Å; M845-V848 HydrophobicContact SD-CG2 4.4Å
846	P	78.9	Confident	84.6	Confident	71 Å²	71	94.1 Å²	94.1	46%	0.461	48%	0.481	S	S	.	.	S	Bend	trans	-69.6	-34.1	179.3	26.8	-34.1	0	0	0	112.7	K806 N827 V844	K806-P846 PolarHBondContact NZ-O 3.42Å; N827-P846 HydrophobicContact CB-CB 4.42Å; N827-P846 WeakPolarHBondContact OD1-CA 3.24Å; V844-P846 VanDerWaalsContact O-CD 3.24Å; V844-P846 WeakPolarHBondContact O-CD 3.46Å
847	V	81.1	Confident	85.2	Confident	103 Å²	103	88.5 Å²	88.5	62%	0.624	45%	0.45	S	S	*	.			trans	-123.8	109.9	178.5	-178.2	0	0	0	0	109.2	K849	V847-K849 HydrophobicContact CG1-CG 4.19Å
848	V	83.5	Confident	85.7	Confident	9 Å²	9	85 Å²	85	6%	0.055	43%	0.429	C	S	.	.			trans	-102.9	108.4	170	-170.6	0	0	0	0	108.4	M801 K806 F828 M845	M801-V848 HydrophobicContact CB-CB 4.27Å; M801-V848 HydrophobicContact CB-CG1 3.65Å; M801-V848 HydrophobicContact SD-CB 4.47Å; M801-V848 HydrophobicContact SD-CG2 4.26Å; K806-V848 HydrophobicContact CB-CB 4.37Å; K806-V848 PolarHBondContact N-O 3.32Å; F828-V848 HydrophobicContact CB-CG2 4.49Å; M845-V848 HydrophobicContact CB-CG2 3.86Å; M845-V848 HydrophobicContact CE-CG2 4.37Å; M845-V848 HydrophobicContact SD-CG2 4.4Å
849	K	83.2	Confident	85.9	Confident	163 Å²	163	78.3 Å²	78.3	71%	0.709	40%	0.398	S	S	*	.			trans	-85.2	145.8	172.4	-64.4	-177.8	179.8	178.6	0	109.3	V847 S851	V847-K849 HydrophobicContact CG1-CG 4.19Å; K849-S851 PolarHBondContact O-N 3.47Å
850	P	88.3	Confident	85.7	Confident	83 Å²	83	71.1 Å²	71.1	54%	0.539	38%	0.38	S	S	.	.			trans	-54.9	131.4	167	-20.5	31	0	0	0	110.3	D802	D802-P850 CarbonylContact O-C 3.42Å; D802-P850 WeakPolarHBondContact O-CA 3.41Å
851	S	86	Confident	85	Confident	85 Å²	85	72.2 Å²	72.2	59%	0.594	39%	0.39	S	S	*	.			trans	-121.9	-23.4	-177.8	66.2	0	0	0	0	112.2	D802 K849	D802-S851 VanDerWaalsContact CB-OG 3.24Å; D802-S851 WeakPolarHBondContact CB-OG 3.44Å; D802-S851 PolarHBondContact O-N 3.29Å; D802-S851 PolarHBondContact OD1-OG 2.86Å; K849-S851 PolarHBondContact O-N 3.47Å
852	R	87.2	Confident	84.5	Confident	59 Å²	59	70.9 Å²	70.9	22%	0.223	39%	0.386	C	S	.	.			trans	-106.9	131	178.1	-74.4	-179.8	65.8	-173.2	-2.9	110.4	L787 D802 V803 E857	L787-R852 PolarHBondContact O-NH1 3.38Å; L787-R852 PolarHBondContact O-NH2 2.69Å; D802-R852 HydrophobicContact CB-CB 4.45Å; D802-R852 HydrophobicContact CB-CG 4.17Å; D802-R852 PolarHBondContact O-N 3.05Å; V803-R852 HydrophobicContact CG2-CB 3.86Å; R852-E857 VanDerWaalsContact CB-OE1 3.31Å; R852-E857 WeakPolarHBondContact CB-OE1 3.43Å; R852-E857 WeakPolarHBondContact CG-OE1 3.44Å; R852-E857 IonicContact CZ-OE1 3.99Å; R852-E857 IonicContact CZ-OE2 3.74Å; R852-E857 IonicContact NE-OE1 3.64Å; R852-E857 PolarHBondContact NE-OE1 3.42Å; R852-E857 IonicContact NE-OE2 3.85Å; R852-E857 IonicContact NH2-OE1 3.39Å; R852-E857 IonicContact NH2-OE2 2.73Å; R852-E857 PolarHBondContact NH2-OE2 3.29Å
853	S	87.2	Confident	83.9	Confident	48 Å²	48	74.5 Å²	74.5	34%	0.336	41%	0.406	S	S	.	.			trans	-110.4	111.5	177.4	179.8	0	0	0	0	110.3	Q855 Q856 E857	S853-Q855 PolarHBondContact O-N 2.94Å; S853-Q855 VanDerWaalsContact O-N 3.14Å; S853-Q856 PolarHBondContact O-N 2.85Å; S853-E857 PolarHBondContact O-N 3.13Å
854	L	87.5	Confident	83.6	Confident	3 Å²	3	73.2 Å²	73.2	2%	0.016	40%	0.397	C	S	.	.	H	α-helix	trans	-54	-35	177.2	-68.9	173.3	0	0	0	112	Y779 L787 V803 Q856 E857 L858 K876 E880 F883	Y779-L854 HydrophobicContact CD2-CD2 4.42Å; Y779-L854 HydrophobicContact CE2-CD2 4.34Å; L787-L854 HydrophobicContact CD1-CD2 3.82Å; V803-L854 HydrophobicContact CG1-CD1 3.8Å; V803-L854 HydrophobicContact CG1-CD2 4.13Å; V803-L854 HydrophobicContact CG1-CG 3.76Å; L854-Q856 PolarHBondContact O-N 3.27Å; L854-E857 PolarHBondContact O-N 2.88Å; L854-L858 HydrophobicContact CB-CD1 4.48Å; L854-L858 VanDerWaalsContact O-CB 3.25Å; L854-L858 WeakPolarHBondContact O-CB 3.38Å; L854-L858 WeakPolarHBondContact O-CD1 3.46Å; L854-L858 WeakPolarHBondContact O-CG 3.49Å; L854-L858 PolarHBondContact O-N 2.71Å; L854-K876 HydrophobicContact CB-CG 4.45Å; L854-E880 HydrophobicContact CD1-CG 3.88Å; L854-F883 HydrophobicContact CD1-CD2 4.22Å
855	Q	86	Confident	83.4	Confident	72 Å²	72	72.9 Å²	72.9	34%	0.336	40%	0.397	S	S	.	.	H	α-helix	trans	-65.2	-39.6	178.6	-171.2	169	-4.4	0	0	112.4	S853 I859 K876	S853-Q855 PolarHBondContact O-N 2.94Å; S853-Q855 VanDerWaalsContact O-N 3.14Å; Q855-I859 HydrophobicContact CG-CD1 3.87Å; Q855-I859 WeakPolarHBondContact O-CB 3.03Å; Q855-I859 WeakPolarHBondContact O-CD1 3.33Å; Q855-I859 VanDerWaalsContact O-CG1 3.23Å; Q855-I859 WeakPolarHBondContact O-CG1 3.37Å; Q855-I859 PolarHBondContact O-N 2.79Å; Q855-I859 VanDerWaalsContact O-N 3.14Å; Q855-K876 HydrophobicContact CB-CG 4.11Å
856	Q	86.3	Confident	83.4	Confident	144 Å²	144	77.4 Å²	77.4	67%	0.673	42%	0.422	S	S	*	.	H	α-helix	trans	-71.6	-41.1	176.2	-69.2	175	-38.9	0	0	111.1	S853 L854 I859 A860	S853-Q856 PolarHBondContact O-N 2.85Å; L854-Q856 PolarHBondContact O-N 3.27Å; Q856-I859 PolarHBondContact O-N 3.4Å; Q856-A860 PolarHBondContact O-N 3.36Å
857	E	88.6	Confident	83.7	Confident	42 Å²	42	79.4 Å²	79.4	20%	0.196	43%	0.429	C	S	.	.	H	α-helix	trans	-68.7	-32.8	-180	-67.9	-178.9	-160.7	0	0	113.5	Y779 R852 S853 L854	Y779-E857 HydrophobicContact CE2-CB 4.41Å; Y779-E857 PolarHBondContact OH-OE2 2.96Å; R852-E857 VanDerWaalsContact CB-OE1 3.31Å; R852-E857 WeakPolarHBondContact CB-OE1 3.43Å; R852-E857 WeakPolarHBondContact CG-OE1 3.44Å; R852-E857 IonicContact CZ-OE1 3.99Å; R852-E857 IonicContact CZ-OE2 3.74Å; R852-E857 IonicContact NE-OE1 3.64Å; R852-E857 PolarHBondContact NE-OE1 3.42Å; R852-E857 IonicContact NE-OE2 3.85Å; R852-E857 IonicContact NH2-OE1 3.39Å; R852-E857 IonicContact NH2-OE2 2.73Å; R852-E857 PolarHBondContact NH2-OE2 3.29Å; S853-E857 PolarHBondContact O-N 3.13Å; L854-E857 PolarHBondContact O-N 2.88Å
858	L	87.7	Confident	84.1	Confident	2 Å²	2	76.7 Å²	76.7	1%	0.01	41%	0.41	C	S	.	.	H	α-helix	trans	-74.8	-39.8	173.9	-69.6	165.2	0	0	0	112.2	Y779 Y782 T783 L854 V872 L875 K876 L879	Y779-L858 HydrophobicContact CD2-CD2 3.75Å; Y779-L858 HydrophobicContact CD2-CG 4.36Å; Y779-L858 HydrophobicContact CE2-CD2 3.92Å; Y779-L858 HydrophobicContact CE2-CG 4.22Å; Y782-L858 HydrophobicContact CD1-CD2 3.64Å; Y782-L858 HydrophobicContact CE1-CB 4.35Å; Y782-L858 HydrophobicContact CE1-CD2 4.28Å; Y782-L858 WeakPolarHBondContact CE1-O 3.43Å; T783-L858 HydrophobicContact CG2-CD2 3.95Å; L854-L858 HydrophobicContact CB-CD1 4.48Å; L854-L858 VanDerWaalsContact O-CB 3.25Å; L854-L858 WeakPolarHBondContact O-CB 3.38Å; L854-L858 WeakPolarHBondContact O-CD1 3.46Å; L854-L858 WeakPolarHBondContact O-CG 3.49Å; L854-L858 PolarHBondContact O-N 2.71Å; L858-V872 HydrophobicContact CB-CG1 3.82Å; L858-L875 HydrophobicContact CD2-CD2 4.29Å; L858-K876 HydrophobicContact CD1-CB 3.69Å; L858-K876 HydrophobicContact CD1-CG 4.27Å; L858-L879 HydrophobicContact CD1-CD1 4.34Å; L858-L879 HydrophobicContact CD2-CD1 4.31Å
859	I	84.6	Confident	84.4	Confident	31 Å²	31	79.8 Å²	79.8	16%	0.159	42%	0.423	C	S	.	.	H	α-helix	trans	-75	-37.6	179.6	-66.9	166.2	0	0	0	111.4	Q855 Q856 D861 Q862 V872	Q855-I859 HydrophobicContact CG-CD1 3.87Å; Q855-I859 WeakPolarHBondContact O-CB 3.03Å; Q855-I859 WeakPolarHBondContact O-CD1 3.33Å; Q855-I859 VanDerWaalsContact O-CG1 3.23Å; Q855-I859 WeakPolarHBondContact O-CG1 3.37Å; Q855-I859 PolarHBondContact O-N 2.79Å; Q855-I859 VanDerWaalsContact O-N 3.14Å; Q856-I859 PolarHBondContact O-N 3.4Å; I859-D861 VanDerWaalsContact C-N 3.25Å; I859-D861 PolarHBondContact O-N 3.06Å; I859-D861 VanDerWaalsContact O-N 3.13Å; I859-Q862 VanDerWaalsContact O-CB 3.28Å; I859-Q862 WeakPolarHBondContact O-CB 3.34Å; I859-Q862 WeakPolarHBondContact O-CG 3.1Å; I859-Q862 PolarHBondContact O-N 2.97Å; I859-V872 HydrophobicContact CG1-CG1 4.24Å
860	A	76.8	Confident	84.7	Confident	40 Å²	40	78.5 Å²	78.5	33%	0.331	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.5	44.4	174.3	0	0	0	0	0	114.4	Q856 Q862	Q856-A860 PolarHBondContact O-N 3.36Å; A860-Q862 PolarHBondContact O-N 3.31Å; A860-Q862 VanDerWaalsContact O-N 3.14Å
861	D	69.1	Low	84.9	Confident	167 Å²	167	74.7 Å²	74.7	89%	0.893	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	20.1	-177.2	-55.1	-38.4	0	0	0	115.6	I859	I859-D861 VanDerWaalsContact C-N 3.25Å; I859-D861 PolarHBondContact O-N 3.06Å; I859-D861 VanDerWaalsContact O-N 3.13Å
862	Q	75.9	Confident	85.3	Confident	91 Å²	91	70.8 Å²	70.8	43%	0.425	36%	0.361	S	S	.	.			trans	-78.2	126.9	175	-60.3	-177.5	21.9	0	0	111.8	I859 A860 L864	I859-Q862 VanDerWaalsContact O-CB 3.28Å; I859-Q862 WeakPolarHBondContact O-CB 3.34Å; I859-Q862 WeakPolarHBondContact O-CG 3.1Å; I859-Q862 PolarHBondContact O-N 2.97Å; A860-Q862 PolarHBondContact O-N 3.31Å; A860-Q862 VanDerWaalsContact O-N 3.14Å; Q862-L864 HydrophobicContact CB-CD1 4.45Å; Q862-L864 HydrophobicContact CB-CD2 4.42Å; Q862-L864 HydrophobicContact CB-CG 3.96Å; Q862-L864 PolarHBondContact O-N 2.67Å
863	N	76.1	Confident	85.6	Confident	175 Å²	175	70.6 Å²	70.6	94%	0.936	37%	0.367	S	S	*	.			trans	-73.7	76.5	167.4	-75.9	-24.4	0	0	0	110.4
864	L	82.6	Confident	85.9	Confident	24 Å²	24	69.4 Å²	69.4	13%	0.126	36%	0.356	C	S	.	.			trans	-75.4	140.8	178	-69.1	163.4	0	0	0	111.4	Q862 Q868 V872	Q862-L864 HydrophobicContact CB-CD1 4.45Å; Q862-L864 HydrophobicContact CB-CD2 4.42Å; Q862-L864 HydrophobicContact CB-CG 3.96Å; Q862-L864 PolarHBondContact O-N 2.67Å; L864-Q868 HydrophobicContact CB-CB 4.33Å; L864-Q868 HydrophobicContact CD2-CB 4.24Å; L864-V872 HydrophobicContact CD1-CG2 4.09Å
865	P	87.6	Confident	86.3	Confident	72 Å²	72	69.2 Å²	69.2	47%	0.468	36%	0.355	S	S	.	.			trans	-60.2	151.2	167.3	-21.5	32.8	0	0	0	112.2	D867 Q868 H869	P865-D867 VanDerWaalsContact C-N 3.3Å; P865-D867 PolarHBondContact O-N 2.86Å; P865-D867 VanDerWaalsContact O-N 3.16Å; P865-Q868 HydrophobicContact CB-CG 4.45Å; P865-Q868 HydrophobicContact CG-CG 4.41Å; P865-Q868 CarbonylContact O-C 3.59Å; P865-Q868 WeakPolarHBondContact O-CA 3.25Å; P865-Q868 WeakPolarHBondContact O-CB 3.22Å; P865-Q868 PolarHBondContact O-N 2.93Å; P865-H869 PolarHBondContact O-N 3.43Å
866	D	86.5	Confident	86.7	Confident	142 Å²	142	67.8 Å²	67.8	76%	0.759	35%	0.348	S	S	*	.	H	α-helix	trans	-53.1	-41.1	-173.9	-63.5	-33.5	0	0	0	113.8	Q868 H869 R870	D866-Q868 VanDerWaalsContact C-N 3.31Å; D866-Q868 PolarHBondContact O-N 2.86Å; D866-H869 PolarHBondContact O-N 2.71Å; D866-R870 WeakPolarHBondContact O-CB 3.4Å; D866-R870 PolarHBondContact O-N 2.91Å
867	D	86.7	Confident	87.2	Confident	112 Å²	112	64.2 Å²	64.2	60%	0.599	33%	0.333	S	S	*	.	H	α-helix	trans	-61.5	-38.3	176.3	-61.1	-50.6	0	0	0	112.6	P865 K871	P865-D867 VanDerWaalsContact C-N 3.3Å; P865-D867 PolarHBondContact O-N 2.86Å; P865-D867 VanDerWaalsContact O-N 3.16Å; D867-K871 WeakPolarHBondContact O-CG 3.31Å; D867-K871 PolarHBondContact O-N 3.07Å
868	Q	88.3	Confident	87.6	Confident	47 Å²	47	62.2 Å²	62.2	22%	0.22	32%	0.324	C	S	.	.	H	α-helix	trans	-73.6	-41.5	175.7	-56.2	-165.6	24.6	0	0	110.3	I688 L864 P865 D866 R870 K871 V872 M906	I688-Q868 HydrophobicContact CG2-CG 4.43Å; L864-Q868 HydrophobicContact CB-CB 4.33Å; L864-Q868 HydrophobicContact CD2-CB 4.24Å; P865-Q868 HydrophobicContact CB-CG 4.45Å; P865-Q868 HydrophobicContact CG-CG 4.41Å; P865-Q868 CarbonylContact O-C 3.59Å; P865-Q868 WeakPolarHBondContact O-CA 3.25Å; P865-Q868 WeakPolarHBondContact O-CB 3.22Å; P865-Q868 PolarHBondContact O-N 2.93Å; D866-Q868 VanDerWaalsContact C-N 3.31Å; D866-Q868 PolarHBondContact O-N 2.86Å; Q868-R870 PolarHBondContact O-N 2.81Å; Q868-K871 CarbonylContact O-C 3.51Å; Q868-K871 PolarHBondContact O-N 3.28Å; Q868-K871 VanDerWaalsContact O-N 3.07Å; Q868-V872 WeakPolarHBondContact O-CG2 3.35Å; Q868-V872 PolarHBondContact O-N 2.79Å; Q868-M906 HydrophobicContact CG-CE 4.14Å
869	H	89.3	Confident	88	Confident	73 Å²	73	62.1 Å²	62.1	34%	0.338	32%	0.323	S	S	.	.	H	α-helix	trans	-61.2	-42.6	177.1	-166	97.6	0	0	0	112.3	P865 D866 K871 V872 T873	P865-H869 PolarHBondContact O-N 3.43Å; D866-H869 PolarHBondContact O-N 2.71Å; H869-K871 VanDerWaalsContact C-N 3.3Å; H869-K871 PolarHBondContact O-N 3.34Å; H869-V872 PolarHBondContact O-N 2.91Å; H869-T873 WeakPolarHBondContact O-CB 3.45Å; H869-T873 PolarHBondContact O-N 3.14Å; H869-T873 PolarHBondContact O-OG1 2.89Å
870	R	91.3	Very high	88.4	Confident	137 Å²	137	63.4 Å²	63.4	52%	0.517	33%	0.329	S	S	.	.	H	α-helix	trans	-55	-45.8	170.1	176.5	-178.5	177.8	142.6	4.1	111.1	D866 Q868 T873 Q874 E904	D866-R870 WeakPolarHBondContact O-CB 3.4Å; D866-R870 PolarHBondContact O-N 2.91Å; Q868-R870 PolarHBondContact O-N 2.81Å; R870-T873 WeakPolarHBondContact O-CB 3.42Å; R870-T873 PolarHBondContact O-N 3.41Å; R870-Q874 WeakPolarHBondContact O-CG 3.42Å; R870-Q874 PolarHBondContact O-N 3.49Å; R870-E904 IonicContact CZ-OE1 3.8Å; R870-E904 IonicContact CZ-OE2 2.91Å; R870-E904 VanDerWaalsContact CZ-OE2 3.27Å; R870-E904 IonicContact NE-OE2 3.57Å; R870-E904 PolarHBondContact NE-OE2 3.29Å; R870-E904 IonicContact NH2-OE1 2.68Å; R870-E904 PolarHBondContact NH2-OE1 3.42Å; R870-E904 IonicContact NH2-OE2 2.71Å; R870-E904 PolarHBondContact NH2-OE2 3.41Å
871	K	92.3	Very high	89.3	Confident	3 Å²	3	64.7 Å²	64.7	1%	0.013	33%	0.33	C	S	.	.	H	α-helix	trans	-75	-32.5	-177.3	-79.3	-86.3	174.8	-160.2	0	114.2	I688 D867 Q868 H869 T873 Q874 L875 P900 F901 E904 M906	I688-K871 HydrophobicContact CG1-CB 4.03Å; D867-K871 WeakPolarHBondContact O-CG 3.31Å; D867-K871 PolarHBondContact O-N 3.07Å; Q868-K871 CarbonylContact O-C 3.51Å; Q868-K871 PolarHBondContact O-N 3.28Å; Q868-K871 VanDerWaalsContact O-N 3.07Å; H869-K871 VanDerWaalsContact C-N 3.3Å; H869-K871 PolarHBondContact O-N 3.34Å; K871-T873 VanDerWaalsContact C-N 3.32Å; K871-Q874 VanDerWaalsContact CE-OE1 3.23Å; K871-Q874 PolarHBondContact O-N 3.4Å; K871-L875 WeakPolarHBondContact O-CB 3.37Å; K871-L875 PolarHBondContact O-N 3.44Å; K871-P900 PolarHBondContact NZ-O 3.06Å; K871-F901 HydrophobicContact CD-CD2 4.18Å; K871-F901 HydrophobicContact CD-CE2 4.47Å; K871-F901 PolarHBondContact NZ-O 3.49Å; K871-F901 WeakPolarHBondContact O-CD2 3.45Å; K871-E904 WeakPolarHBondContact CE-O 3.39Å; K871-E904 PolarHBondContact NZ-O 3.07Å; K871-M906 HydrophobicContact CB-CE 4Å; K871-M906 HydrophobicContact CB-SD 3.97Å; K871-M906 HydrophobicContact CD-CG 3.82Å; K871-M906 HydrophobicContact CD-SD 3.93Å; K871-M906 HydrophobicContact CG-CE 3.85Å; K871-M906 HydrophobicContact CG-CG 3.62Å; K871-M906 HydrophobicContact CG-SD 3.56Å; K871-M906 VanDerWaalsContact CG-SD 3.56Å
872	V	92.9	Very high	90.6	Very high	3 Å²	3	56.8 Å²	56.8	2%	0.018	29%	0.288	C	S	.	.	H	α-helix	trans	-66.4	-37.3	168.6	173.3	0	0	0	0	110.6	I688 Y782 L858 I859 L864 Q868 H869 L875 K876	I688-V872 HydrophobicContact CD1-CG2 4.32Å; I688-V872 HydrophobicContact CG1-CG2 4.47Å; Y782-V872 HydrophobicContact CE1-CG1 4.25Å; Y782-V872 HydrophobicContact CE1-CG2 3.86Å; Y782-V872 HydrophobicContact CE2-CG2 4.35Å; Y782-V872 WeakPolarHBondContact OH-CG2 3.44Å; L858-V872 HydrophobicContact CB-CG1 3.82Å; I859-V872 HydrophobicContact CG1-CG1 4.24Å; L864-V872 HydrophobicContact CD1-CG2 4.09Å; Q868-V872 WeakPolarHBondContact O-CG2 3.35Å; Q868-V872 PolarHBondContact O-N 2.79Å; H869-V872 PolarHBondContact O-N 2.91Å; V872-L875 WeakPolarHBondContact O-CB 3.23Å; V872-L875 PolarHBondContact O-N 3.25Å; V872-K876 WeakPolarHBondContact O-CB 3.43Å; V872-K876 PolarHBondContact O-N 3.26Å
873	T	93.3	Very high	91.6	Very high	54 Å²	54	52.4 Å²	52.4	33%	0.331	27%	0.267	S	S	.	.	H	α-helix	trans	-64.9	-39.6	173.6	-55.3	0	0	0	0	111.8	H869 R870 K871 K876 D877	H869-T873 WeakPolarHBondContact O-CB 3.45Å; H869-T873 PolarHBondContact O-N 3.14Å; H869-T873 PolarHBondContact O-OG1 2.89Å; R870-T873 WeakPolarHBondContact O-CB 3.42Å; R870-T873 PolarHBondContact O-N 3.41Å; K871-T873 VanDerWaalsContact C-N 3.32Å; T873-K876 WeakPolarHBondContact O-CB 3.37Å; T873-K876 PolarHBondContact O-N 3.02Å; T873-D877 PolarHBondContact O-N 3.02Å
874	Q	95	Very high	92.5	Very high	23 Å²	23	44.9 Å²	44.9	11%	0.107	23%	0.229	C	C	.	.	H	α-helix	trans	-69.9	-32.1	173.4	-69.8	172.7	-0.7	0	0	113.3	R870 K871 L878 H899 P900 F901 E904	R870-Q874 WeakPolarHBondContact O-CG 3.42Å; R870-Q874 PolarHBondContact O-N 3.49Å; K871-Q874 VanDerWaalsContact CE-OE1 3.23Å; K871-Q874 PolarHBondContact O-N 3.4Å; Q874-L878 WeakPolarHBondContact O-CB 3.42Å; Q874-L878 PolarHBondContact O-N 2.84Å; Q874-H899 PolarHBondContact O-CE1 3.06Å; Q874-P900 HydrophobicContact CG-CB 4.4Å; Q874-P900 PolarHBondContact OE1-O 3.3Å; Q874-F901 HydrophobicContact CB-CB 3.9Å; Q874-F901 HydrophobicContact CB-CD2 4.15Å; Q874-E904 PolarHBondContact NE2-OE2 3.35Å
875	L	95.6	Very high	93	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-66.9	-43.1	171.8	176.6	59	0	0	0	111	I688 V691 I778 Y782 L858 K871 V872 D877 L878 L879 F901	I688-L875 HydrophobicContact CD1-CB 4.43Å; I688-L875 HydrophobicContact CD1-CD2 3.71Å; V691-L875 HydrophobicContact CG1-CD2 4.39Å; I778-L875 HydrophobicContact CG2-CD1 3.65Å; Y782-L875 HydrophobicContact CD1-CD2 3.97Å; Y782-L875 HydrophobicContact CG-CD2 3.88Å; L858-L875 HydrophobicContact CD2-CD2 4.29Å; K871-L875 WeakPolarHBondContact O-CB 3.37Å; K871-L875 PolarHBondContact O-N 3.44Å; V872-L875 WeakPolarHBondContact O-CB 3.23Å; V872-L875 PolarHBondContact O-N 3.25Å; L875-D877 PolarHBondContact O-N 3.16Å; L875-L878 PolarHBondContact O-N 2.81Å; L875-L879 HydrophobicContact CD1-CD1 4.03Å; L875-L879 HydrophobicContact CD1-CG 4.06Å; L875-L879 HydrophobicContact CG-CD1 3.98Å; L875-L879 HydrophobicContact CG-CG 4.43Å; L875-L879 WeakPolarHBondContact O-CB 3.34Å; L875-L879 VanDerWaalsContact O-CG 3.3Å; L875-L879 WeakPolarHBondContact O-CG 3.42Å; L875-L879 PolarHBondContact O-N 2.89Å; L875-F901 HydrophobicContact CB-CD2 3.98Å; L875-F901 HydrophobicContact CB-CE2 3.8Å; L875-F901 HydrophobicContact CB-CZ 4.19Å; L875-F901 HydrophobicContact CD1-CD1 4.41Å; L875-F901 HydrophobicContact CD1-CE1 3.93Å; L875-F901 HydrophobicContact CD1-CE2 4.4Å; L875-F901 HydrophobicContact CD1-CZ 3.94Å; L875-F901 HydrophobicContact CG-CZ 4.45Å
876	K	94.9	Very high	93.3	Very high	42 Å²	42	41.7 Å²	41.7	18%	0.183	21%	0.208	C	C	.	.	H	α-helix	trans	-56.9	-46.8	174.5	177.5	-82.5	-161.8	-168.6	0	111.5	L854 Q855 L858 V872 T873 L879 E880	L854-K876 HydrophobicContact CB-CG 4.45Å; Q855-K876 HydrophobicContact CB-CG 4.11Å; L858-K876 HydrophobicContact CD1-CB 3.69Å; L858-K876 HydrophobicContact CD1-CG 4.27Å; V872-K876 WeakPolarHBondContact O-CB 3.43Å; V872-K876 PolarHBondContact O-N 3.26Å; T873-K876 WeakPolarHBondContact O-CB 3.37Å; T873-K876 PolarHBondContact O-N 3.02Å; K876-L879 PolarHBondContact O-N 2.88Å; K876-E880 HydrophobicContact CD-CG 4.42Å; K876-E880 VanDerWaalsContact CE-CD 3.45Å; K876-E880 WeakPolarHBondContact CE-OE1 3.38Å; K876-E880 WeakPolarHBondContact CE-OE2 3.41Å; K876-E880 IonicContact NZ-OE1 2.88Å; K876-E880 PolarHBondContact NZ-OE1 2.89Å; K876-E880 IonicContact NZ-OE2 3.95Å; K876-E880 PolarHBondContact NZ-OE2 3.14Å; K876-E880 WeakPolarHBondContact O-CB 3.28Å; K876-E880 WeakPolarHBondContact O-CG 3.45Å; K876-E880 PolarHBondContact O-N 3.14Å
877	D	95.7	Very high	93.5	Very high	69 Å²	69	36.3 Å²	36.3	37%	0.369	18%	0.181	S	C	.	.	H	α-helix	trans	-63.4	-46	175.9	-177.8	39.1	0	0	0	112.1	T873 L875 L879 E880 N881 H899	T873-D877 PolarHBondContact O-N 3.02Å; L875-D877 PolarHBondContact O-N 3.16Å; D877-L879 PolarHBondContact O-N 3.22Å; D877-E880 PolarHBondContact O-N 3.4Å; D877-N881 PolarHBondContact O-N 2.93Å; D877-N881 PolarHBondContact O-ND2 3.34Å; D877-N881 PolarHBondContact OD1-ND2 2.68Å; D877-H899 IonicContact OD2-CE1 2.81Å; D877-H899 IonicContact OD2-NE2 3.58Å; D877-H899 PolarHBondContact OD2-NE2 3.29Å
878	L	96.6	Very high	93.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-56.8	-50.9	175.3	178.6	57.4	0	0	0	111.5	T695 F699 Q874 L875 E880 N881 M882 I891 A896 H899 F901	T695-L878 HydrophobicContact CG2-CD2 3.8Å; F699-L878 HydrophobicContact CE2-CD1 4.18Å; F699-L878 HydrophobicContact CE2-CD2 3.99Å; F699-L878 HydrophobicContact CZ-CD1 4.29Å; F699-L878 HydrophobicContact CZ-CD2 4.13Å; Q874-L878 WeakPolarHBondContact O-CB 3.42Å; Q874-L878 PolarHBondContact O-N 2.84Å; L875-L878 PolarHBondContact O-N 2.81Å; L878-E880 VanDerWaalsContact C-N 3.32Å; L878-E880 PolarHBondContact O-N 3.47Å; L878-N881 PolarHBondContact O-N 3.13Å; L878-M882 HydrophobicContact CD1-CG 4.34Å; L878-M882 HydrophobicContact CD1-SD 4.09Å; L878-M882 HydrophobicContact CG-SD 3.9Å; L878-M882 VanDerWaalsContact O-CG 3.28Å; L878-M882 WeakPolarHBondContact O-CG 3.25Å; L878-M882 PolarHBondContact O-N 3.03Å; L878-I891 HydrophobicContact CD1-CD1 4.09Å; L878-A896 HydrophobicContact CD1-CB 4.41Å; L878-H899 HydrophobicContact CD1-CB 4.26Å; L878-H899 PolarHBondContact N-CE1 3.19Å; L878-F901 HydrophobicContact CD2-CB 4.36Å; L878-F901 HydrophobicContact CD2-CD1 3.64Å; L878-F901 HydrophobicContact CD2-CE1 4.41Å; L878-F901 HydrophobicContact CD2-CG 4.34Å
879	L	96.4	Very high	94	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62	-38.6	178.2	-71.5	174	0	0	0	111.8	G775 I778 Y779 L858 L875 K876 D877 N881 M882 F883	G775-L879 VanDerWaalsContact O-CD2 3.28Å; G775-L879 WeakPolarHBondContact O-CD2 3.31Å; I778-L879 HydrophobicContact CB-CD2 4.32Å; I778-L879 HydrophobicContact CG2-CD2 4.17Å; Y779-L879 HydrophobicContact CD2-CD1 4.25Å; L858-L879 HydrophobicContact CD1-CD1 4.34Å; L858-L879 HydrophobicContact CD2-CD1 4.31Å; L875-L879 HydrophobicContact CD1-CD1 4.03Å; L875-L879 HydrophobicContact CD1-CG 4.06Å; L875-L879 HydrophobicContact CG-CD1 3.98Å; L875-L879 HydrophobicContact CG-CG 4.43Å; L875-L879 WeakPolarHBondContact O-CB 3.34Å; L875-L879 VanDerWaalsContact O-CG 3.3Å; L875-L879 WeakPolarHBondContact O-CG 3.42Å; L875-L879 PolarHBondContact O-N 2.89Å; K876-L879 PolarHBondContact O-N 2.88Å; D877-L879 PolarHBondContact O-N 3.22Å; L879-N881 VanDerWaalsContact C-N 3.3Å; L879-N881 PolarHBondContact O-N 3.33Å; L879-M882 HydrophobicContact CD2-SD 4.45Å; L879-M882 PolarHBondContact O-N 2.98Å; L879-F883 HydrophobicContact CB-CD2 4.17Å; L879-F883 HydrophobicContact CB-CE2 3.86Å; L879-F883 HydrophobicContact CD2-CE2 3.92Å; L879-F883 HydrophobicContact CD2-CZ 4.09Å; L879-F883 HydrophobicContact CG-CE2 4.37Å; L879-F883 WeakPolarHBondContact O-CD2 3.32Å; L879-F883 WeakPolarHBondContact O-CG 3.28Å; L879-F883 PolarHBondContact O-N 3.07Å
880	E	94.3	Very high	94.3	Very high	58 Å²	58	37.9 Å²	37.9	27%	0.271	20%	0.197	S	C	.	.	H	α-helix	trans	-63.6	-34.8	175.8	-82.6	-179.9	171.9	0	0	113.1	K804 L854 K876 D877 L878	K804-E880 PolarHBondContact NZ-O 3.43Å; L854-E880 HydrophobicContact CD1-CG 3.88Å; K876-E880 HydrophobicContact CD-CG 4.42Å; K876-E880 VanDerWaalsContact CE-CD 3.45Å; K876-E880 WeakPolarHBondContact CE-OE1 3.38Å; K876-E880 WeakPolarHBondContact CE-OE2 3.41Å; K876-E880 IonicContact NZ-OE1 2.88Å; K876-E880 PolarHBondContact NZ-OE1 2.89Å; K876-E880 IonicContact NZ-OE2 3.95Å; K876-E880 PolarHBondContact NZ-OE2 3.14Å; K876-E880 WeakPolarHBondContact O-CB 3.28Å; K876-E880 WeakPolarHBondContact O-CG 3.45Å; K876-E880 PolarHBondContact O-N 3.14Å; D877-E880 PolarHBondContact O-N 3.4Å; L878-E880 VanDerWaalsContact C-N 3.32Å; L878-E880 PolarHBondContact O-N 3.47Å
881	N	95.3	Very high	94.5	Very high	67 Å²	67	32.3 Å²	32.3	36%	0.358	18%	0.177	S	C	.	.	H	α-helix	trans	-80	-21.1	176	-66.2	-54.8	0	0	0	113	D877 L878 L879 I891	D877-N881 PolarHBondContact O-N 2.93Å; D877-N881 PolarHBondContact O-ND2 3.34Å; D877-N881 PolarHBondContact OD1-ND2 2.68Å; L878-N881 PolarHBondContact O-N 3.13Å; L879-N881 VanDerWaalsContact C-N 3.3Å; L879-N881 PolarHBondContact O-N 3.33Å; N881-I891 HydrophobicContact CB-CB 4.05Å; N881-I891 HydrophobicContact CB-CD1 4.29Å; N881-I891 HydrophobicContact CB-CG2 4.39Å; N881-I891 PolarHBondContact O-N 2.85Å
882	M	96.3	Very high	94.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-79.7	-38.5	170.2	-66.7	172.8	77.4	0	0	112.5	F699 T771 A774 G775 I778 L878 L879 A884 R890 I891	F699-M882 HydrophobicContact CE1-CE 3.6Å; F699-M882 HydrophobicContact CE1-SD 4.19Å; F699-M882 HydrophobicContact CZ-CE 3.77Å; F699-M882 HydrophobicContact CZ-SD 3.71Å; T771-M882 HydrophobicContact CG2-CE 4.35Å; T771-M882 WeakPolarHBondContact O-CE 3.43Å; A774-M882 HydrophobicContact CB-CE 4.21Å; G775-M882 VanDerWaalsContact N-CE 3.3Å; I778-M882 HydrophobicContact CD1-CE 4.13Å; I778-M882 HydrophobicContact CD1-SD 4.48Å; L878-M882 HydrophobicContact CD1-CG 4.34Å; L878-M882 HydrophobicContact CD1-SD 4.09Å; L878-M882 HydrophobicContact CG-SD 3.9Å; L878-M882 VanDerWaalsContact O-CG 3.28Å; L878-M882 WeakPolarHBondContact O-CG 3.25Å; L878-M882 PolarHBondContact O-N 3.03Å; L879-M882 HydrophobicContact CD2-SD 4.45Å; L879-M882 PolarHBondContact O-N 2.98Å; M882-A884 PolarHBondContact O-N 3.23Å; M882-R890 VanDerWaalsContact O-CD 3.24Å; M882-R890 WeakPolarHBondContact O-CD 3.22Å; M882-R890 VanDerWaalsContact O-CG 3.24Å; M882-R890 WeakPolarHBondContact O-CG 3.3Å; M882-R890 PolarHBondContact O-NE 2.93Å; M882-I891 HydrophobicContact CB-CG2 4.41Å; M882-I891 HydrophobicContact CG-CG2 3.54Å
883	F	96.1	Very high	94.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.198	C	C	.	.			trans	-82.2	35.3	178.7	-59.1	-48.1	0	0	0	113.7	W772 L787 F788 K804 L854 L879 L885	W772-F883 HydrophobicContact CD2-CD1 4Å; W772-F883 HydrophobicContact CE3-CB 4.5Å; W772-F883 AromaticContact CE3-CD1 3.99Å; W772-F883 HydrophobicContact CE3-CD1 3.99Å; W772-F883 HydrophobicContact CH2-CB 4.22Å; W772-F883 HydrophobicContact CH2-CD1 4.14Å; W772-F883 HydrophobicContact CZ2-CD1 4.13Å; W772-F883 HydrophobicContact CZ3-CB 3.97Å; W772-F883 HydrophobicContact CZ3-CD1 4.08Å; L787-F883 HydrophobicContact CD2-CD2 4.27Å; L787-F883 HydrophobicContact CD2-CE1 3.96Å; L787-F883 HydrophobicContact CD2-CE2 3.37Å; L787-F883 HydrophobicContact CD2-CZ 3.18Å; F788-F883 HydrophobicContact CE2-CD1 4.3Å; F788-F883 HydrophobicContact CE2-CE1 4.18Å; K804-F883 WeakPolarHBondContact CE-O 3.38Å; L854-F883 HydrophobicContact CD1-CD2 4.22Å; L879-F883 HydrophobicContact CB-CD2 4.17Å; L879-F883 HydrophobicContact CB-CE2 3.86Å; L879-F883 HydrophobicContact CD2-CE2 3.92Å; L879-F883 HydrophobicContact CD2-CZ 4.09Å; L879-F883 HydrophobicContact CG-CE2 4.37Å; L879-F883 WeakPolarHBondContact O-CD2 3.32Å; L879-F883 WeakPolarHBondContact O-CG 3.28Å; L879-F883 PolarHBondContact O-N 3.07Å; F883-L885 PolarHBondContact O-N 2.95Å
884	A	94.7	Very high	94.7	Very high	17 Å²	17	37.4 Å²	37.4	14%	0.14	21%	0.207	C	C	.	.			trans	-66.7	120.1	169.9	0	0	0	0	0	110.2	M882 D886 K889 R890	M882-A884 PolarHBondContact O-N 3.23Å; A884-D886 PolarHBondContact O-N 3.19Å; A884-K889 HydrophobicContact CB-CB 4.29Å; A884-R890 HydrophobicContact CB-CB 4.09Å; A884-R890 HydrophobicContact CB-CG 4.46Å; A884-R890 PolarHBondContact O-NE 3.41Å; A884-R890 PolarHBondContact O-NH2 2.99Å
885	L	93.8	Very high	94.7	Very high	17 Å²	17	41.9 Å²	41.9	9%	0.089	23%	0.228	C	C	.	.	S	Bend	trans	-67.9	-17.6	177.5	-60.1	174.8	0	0	0	113.5	P757 W772 F800 K804 I807 F883	P757-L885 HydrophobicContact CG-CD2 4.35Å; W772-L885 HydrophobicContact CH2-CD2 4.23Å; W772-L885 HydrophobicContact CZ3-CD2 4.49Å; F800-L885 HydrophobicContact CB-CD2 4.04Å; K804-L885 HydrophobicContact CB-CD1 3.66Å; K804-L885 HydrophobicContact CB-CD2 4.26Å; K804-L885 HydrophobicContact CB-CG 3.92Å; K804-L885 HydrophobicContact CG-CD2 4.49Å; K804-L885 HydrophobicContact CG-CG 4.3Å; I807-L885 HydrophobicContact CG1-CD1 4.2Å; F883-L885 PolarHBondContact O-N 2.95Å
886	D	93.3	Very high	94.7	Very high	11 Å²	11	41.9 Å²	41.9	6%	0.059	23%	0.228	C	C	.	.	S	Bend	trans	-105	108.9	172.2	-174.3	-16.8	0	0	0	106	R810 I811 A884 A888 K889	R810-D886 IonicContact CZ-OD2 2.7Å; R810-D886 IonicContact NE-OD2 2.7Å; R810-D886 IonicContact NH2-OD1 3.57Å; R810-D886 PolarHBondContact NH2-OD1 3.37Å; R810-D886 IonicContact NH2-OD2 3.52Å; R810-D886 PolarHBondContact NH2-OD2 3.06Å; I811-D886 HydrophobicContact CD1-CB 4.06Å; I811-D886 HydrophobicContact CG1-CB 4.22Å; A884-D886 PolarHBondContact O-N 3.19Å; D886-A888 PolarHBondContact O-N 3.11Å; D886-A888 PolarHBondContact OD1-N 3.12Å; D886-K889 HydrophobicContact CB-CB 4.3Å; D886-K889 HydrophobicContact CB-CD 4.09Å; D886-K889 HydrophobicContact CB-CG 4.03Å; D886-K889 WeakPolarHBondContact O-CA 3.41Å; D886-K889 WeakPolarHBondContact O-CB 3.39Å; D886-K889 PolarHBondContact O-N 3.02Å; D886-K889 WeakPolarHBondContact OD2-CE 3.18Å
887	P	92.3	Very high	94.7	Very high	29 Å²	29	40.9 Å²	40.9	19%	0.188	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-61	-28.8	-173.2	22.1	-32.4	0	0	0	112.3	E758 K889 R890	E758-P887 HydrophobicContact CB-CG 4.41Å; E758-P887 HydrophobicContact CG-CG 4.44Å; P887-K889 PolarHBondContact O-N 2.94Å; P887-K889 VanDerWaalsContact O-N 3.14Å; P887-R890 VanDerWaalsContact O-CB 3.22Å; P887-R890 WeakPolarHBondContact O-CB 3.46Å; P887-R890 PolarHBondContact O-N 3.03Å
888	A	91.8	Very high	94.7	Very high	90 Å²	90	42.4 Å²	42.4	74%	0.744	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-68.6	-7	173.8	0	0	0	0	0	114.3	D886	D886-A888 PolarHBondContact O-N 3.11Å; D886-A888 PolarHBondContact OD1-N 3.12Å
889	K	93.5	Very high	94.7	Very high	154 Å²	154	43 Å²	43	67%	0.67	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-109.9	3.6	172.8	-58.2	-172.6	-177.4	-172.2	0	113.1	A884 D886 P887	A884-K889 HydrophobicContact CB-CB 4.29Å; D886-K889 HydrophobicContact CB-CB 4.3Å; D886-K889 HydrophobicContact CB-CD 4.09Å; D886-K889 HydrophobicContact CB-CG 4.03Å; D886-K889 WeakPolarHBondContact O-CA 3.41Å; D886-K889 WeakPolarHBondContact O-CB 3.39Å; D886-K889 PolarHBondContact O-N 3.02Å; D886-K889 WeakPolarHBondContact OD2-CE 3.18Å; P887-K889 PolarHBondContact O-N 2.94Å; P887-K889 VanDerWaalsContact O-N 3.14Å
890	R	95.4	Very high	94.6	Very high	21 Å²	21	45.9 Å²	45.9	8%	0.079	26%	0.257	C	S	.	.	S	Bend	trans	-73.6	141.9	179.2	-161.1	163.5	-62.1	149.7	8.1	109.9	E758 G768 T771 M882 A884 P887 S892	E758-R890 IonicContact OE1-CZ 3.57Å; E758-R890 IonicContact OE1-NH1 2.83Å; E758-R890 PolarHBondContact OE1-NH1 3.24Å; E758-R890 IonicContact OE1-NH2 3.59Å; E758-R890 PolarHBondContact OE1-NH2 3.27Å; E758-R890 IonicContact OE2-CZ 3.97Å; E758-R890 IonicContact OE2-NH1 2.81Å; E758-R890 IonicContact OE2-NH2 2.92Å; E758-R890 PolarHBondContact OE2-NH2 3.29Å; G768-R890 PolarHBondContact O-NH1 2.86Å; T771-R890 HydrophobicContact CG2-CG 4.15Å; M882-R890 VanDerWaalsContact O-CD 3.24Å; M882-R890 WeakPolarHBondContact O-CD 3.22Å; M882-R890 VanDerWaalsContact O-CG 3.24Å; M882-R890 WeakPolarHBondContact O-CG 3.3Å; M882-R890 PolarHBondContact O-NE 2.93Å; A884-R890 HydrophobicContact CB-CB 4.09Å; A884-R890 HydrophobicContact CB-CG 4.46Å; A884-R890 PolarHBondContact O-NE 3.41Å; A884-R890 PolarHBondContact O-NH2 2.99Å; P887-R890 VanDerWaalsContact O-CB 3.22Å; P887-R890 WeakPolarHBondContact O-CB 3.46Å; P887-R890 PolarHBondContact O-N 3.03Å; R890-S892 PolarHBondContact O-N 3.34Å
891	I	95.7	Very high	94.7	Very high	20 Å²	20	43.1 Å²	43.1	10%	0.103	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-56.5	129.4	-179.9	-169.2	169.8	0	0	0	111.3	L878 N881 M882 Q895 A896	L878-I891 HydrophobicContact CD1-CD1 4.09Å; N881-I891 HydrophobicContact CB-CB 4.05Å; N881-I891 HydrophobicContact CB-CD1 4.29Å; N881-I891 HydrophobicContact CB-CG2 4.39Å; N881-I891 PolarHBondContact O-N 2.85Å; M882-I891 HydrophobicContact CB-CG2 4.41Å; M882-I891 HydrophobicContact CG-CG2 3.54Å; I891-Q895 HydrophobicContact CD1-CB 4.18Å; I891-Q895 HydrophobicContact CG1-CB 3.73Å; I891-A896 HydrophobicContact CD1-CB 4.06Å; I891-A896 HydrophobicContact CG1-CB 4.18Å; I891-A896 HydrophobicContact CG2-CB 4.34Å
892	S	95.2	Very high	94.7	Very high	54 Å²	54	40 Å²	40	38%	0.378	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-73.9	149	176.3	72.2	0	0	0	0	110.9	R890 N894 Q895 A896	R890-S892 PolarHBondContact O-N 3.34Å; S892-N894 PolarHBondContact O-N 3.14Å; S892-N894 VanDerWaalsContact O-N 3.1Å; S892-Q895 VanDerWaalsContact N-OE1 3.09Å; S892-Q895 WeakPolarHBondContact O-CA 3.4Å; S892-Q895 WeakPolarHBondContact O-CB 3.18Å; S892-Q895 PolarHBondContact O-N 3.25Å; S892-Q895 VanDerWaalsContact OG-CD 3.24Å; S892-Q895 WeakPolarHBondContact OG-CG 3.35Å; S892-Q895 PolarHBondContact OG-OE1 2.88Å; S892-A896 PolarHBondContact O-N 2.88Å
893	L	93.9	Very high	94.5	Very high	16 Å²	16	45.4 Å²	45.4	8%	0.084	25%	0.253	C	S	.	.	H	α-helix	trans	-55.9	-32.8	-177.5	-58.4	175.6	0	0	0	113.6	L702 K706 A896 L897	L702-L893 VanDerWaalsContact C-CD1 3.5Å; L702-L893 HydrophobicContact CB-CD1 3.71Å; L702-L893 HydrophobicContact CB-CD2 3.67Å; L702-L893 HydrophobicContact CB-CG 4.34Å; L702-L893 HydrophobicContact CD1-CD2 3.65Å; L702-L893 HydrophobicContact CG-CD2 4.33Å; L702-L893 VanDerWaalsContact O-CD1 3.32Å; L702-L893 WeakPolarHBondContact O-CD1 3.5Å; K706-L893 HydrophobicContact CB-CD1 4.04Å; K706-L893 HydrophobicContact CD-CD1 4.19Å; L893-A896 PolarHBondContact O-N 2.7Å; L893-L897 WeakPolarHBondContact O-CB 3.49Å; L893-L897 WeakPolarHBondContact O-CG 3.5Å; L893-L897 PolarHBondContact O-N 2.74Å
894	N	93.4	Very high	94.1	Very high	97 Å²	97	48.4 Å²	48.4	52%	0.519	27%	0.267	S	S	.	.	H	α-helix	trans	-70.3	-38.7	175.3	-71	-37.9	0	0	0	112.3	K703 S892 V898	K703-N894 PolarHBondContact NZ-OD1 2.87Å; S892-N894 PolarHBondContact O-N 3.14Å; S892-N894 VanDerWaalsContact O-N 3.1Å; N894-V898 WeakPolarHBondContact O-CG2 3.5Å; N894-V898 PolarHBondContact O-N 3.1Å
895	Q	94.7	Very high	93.2	Very high	117 Å²	117	56.9 Å²	56.9	55%	0.547	30%	0.3	S	S	.	.	H	α-helix	trans	-68.8	-40.5	172.6	-70.4	160.4	-42.1	0	0	111.1	I891 S892 L897 V898 H899	I891-Q895 HydrophobicContact CD1-CB 4.18Å; I891-Q895 HydrophobicContact CG1-CB 3.73Å; S892-Q895 VanDerWaalsContact N-OE1 3.09Å; S892-Q895 WeakPolarHBondContact O-CA 3.4Å; S892-Q895 WeakPolarHBondContact O-CB 3.18Å; S892-Q895 PolarHBondContact O-N 3.25Å; S892-Q895 VanDerWaalsContact OG-CD 3.24Å; S892-Q895 WeakPolarHBondContact OG-CG 3.35Å; S892-Q895 PolarHBondContact OG-OE1 2.88Å; Q895-L897 PolarHBondContact O-N 3.14Å; Q895-V898 CarbonylContact O-C 3.6Å; Q895-V898 PolarHBondContact O-N 3.31Å; Q895-V898 VanDerWaalsContact O-N 3.08Å; Q895-H899 PolarHBondContact O-N 3.4Å
896	A	95.3	Very high	91.7	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-62	-40.4	178.9	0	0	0	0	0	112.2	F699 L878 I891 S892 L893 V898 H899 I902	F699-A896 HydrophobicContact CD2-CB 3.73Å; F699-A896 HydrophobicContact CE2-CB 3.57Å; F699-A896 HydrophobicContact CG-CB 4.42Å; F699-A896 HydrophobicContact CZ-CB 4.14Å; L878-A896 HydrophobicContact CD1-CB 4.41Å; I891-A896 HydrophobicContact CD1-CB 4.06Å; I891-A896 HydrophobicContact CG1-CB 4.18Å; I891-A896 HydrophobicContact CG2-CB 4.34Å; S892-A896 PolarHBondContact O-N 2.88Å; L893-A896 PolarHBondContact O-N 2.7Å; A896-V898 VanDerWaalsContact C-N 3.29Å; A896-V898 PolarHBondContact O-N 2.97Å; A896-H899 WeakPolarHBondContact O-CB 3.33Å; A896-H899 PolarHBondContact O-N 2.99Å; A896-I902 VanDerWaalsContact O-CD1 3.3Å; A896-I902 WeakPolarHBondContact O-CD1 3.42Å
897	L	94.7	Very high	91.6	Very high	22 Å²	22	62.4 Å²	62.4	12%	0.115	33%	0.328	C	S	.	.	H	α-helix	trans	-66.7	-25.6	173.2	-75.7	168.2	0	0	0	113.8	Q696 F699 L700 K703 L893 Q895 Q903	Q696-L897 HydrophobicContact CG-CD2 4.43Å; F699-L897 HydrophobicContact CB-CD2 3.69Å; F699-L897 HydrophobicContact CB-CG 3.98Å; L700-L897 HydrophobicContact CD2-CD1 4.26Å; L700-L897 HydrophobicContact CD2-CD2 4.26Å; L700-L897 HydrophobicContact CG-CD2 4.31Å; K703-L897 HydrophobicContact CD-CD1 3.76Å; L893-L897 WeakPolarHBondContact O-CB 3.49Å; L893-L897 WeakPolarHBondContact O-CG 3.5Å; L893-L897 PolarHBondContact O-N 2.74Å; Q895-L897 PolarHBondContact O-N 3.14Å; L897-Q903 PolarHBondContact O-NE2 3.22Å
898	V	95.8	Very high	91.6	Very high	100 Å²	100	64.2 Å²	64.2	61%	0.606	34%	0.336	S	S	*	.	H	α-helix	trans	-93.1	-3.7	177.9	177.7	0	0	0	0	112	N894 Q895 A896 Q903	N894-V898 WeakPolarHBondContact O-CG2 3.5Å; N894-V898 PolarHBondContact O-N 3.1Å; Q895-V898 CarbonylContact O-C 3.6Å; Q895-V898 PolarHBondContact O-N 3.31Å; Q895-V898 VanDerWaalsContact O-N 3.08Å; A896-V898 VanDerWaalsContact C-N 3.29Å; A896-V898 PolarHBondContact O-N 2.97Å; V898-Q903 VanDerWaalsContact O-CG 3.29Å; V898-Q903 WeakPolarHBondContact O-CG 3.41Å
899	H	96.6	Very high	91.6	Very high	14 Å²	14	62.7 Å²	62.7	7%	0.065	31%	0.313	C	S	.	.	S	Bend	trans	-57.9	140.9	-176.2	-159.4	-97.9	0	0	0	112.7	Q874 D877 L878 Q895 A896 F901 I902 Q903	Q874-H899 PolarHBondContact O-CE1 3.06Å; D877-H899 IonicContact OD2-CE1 2.81Å; D877-H899 IonicContact OD2-NE2 3.58Å; D877-H899 PolarHBondContact OD2-NE2 3.29Å; L878-H899 HydrophobicContact CD1-CB 4.26Å; L878-H899 PolarHBondContact N-CE1 3.19Å; Q895-H899 PolarHBondContact O-N 3.4Å; A896-H899 WeakPolarHBondContact O-CB 3.33Å; A896-H899 PolarHBondContact O-N 2.99Å; H899-F901 WeakPolarHBondContact ND1-CB 3.42Å; H899-F901 PolarHBondContact ND1-N 2.89Å; H899-F901 PolarHBondContact O-N 3.27Å; H899-I902 PolarHBondContact O-N 3.46Å; H899-Q903 PolarHBondContact O-N 3.12Å
900	P	95.3	Very high	91.5	Very high	59 Å²	59	57.4 Å²	57.4	38%	0.383	29%	0.292	S	S	.	.	H	α-helix	trans	-54	-31.6	-179.9	-29.1	36	0	0	0	114.3	K871 Q874 I902 E904	K871-P900 PolarHBondContact NZ-O 3.06Å; Q874-P900 HydrophobicContact CG-CB 4.4Å; Q874-P900 PolarHBondContact OE1-O 3.3Å; P900-I902 VanDerWaalsContact C-N 3.27Å; P900-I902 PolarHBondContact O-N 3.02Å; P900-E904 HydrophobicContact CB-CG 4.42Å; P900-E904 WeakPolarHBondContact O-CB 3.49Å; P900-E904 PolarHBondContact O-N 3.01Å
901	F	95.6	Very high	91.2	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-52.2	-45.1	172.2	-178.9	-119.1	0	0	0	112.4	I688 V691 R692 T695 K871 Q874 L875 L878 H899	I688-F901 HydrophobicContact CD1-CE2 3.75Å; I688-F901 HydrophobicContact CD1-CZ 3.99Å; I688-F901 HydrophobicContact CG1-CE2 4.14Å; V691-F901 HydrophobicContact CG1-CZ 4.37Å; R692-F901 HydrophobicContact CB-CE1 4.11Å; R692-F901 HydrophobicContact CB-CE2 4.34Å; R692-F901 HydrophobicContact CB-CZ 3.82Å; R692-F901 WeakPolarHBondContact CD-O 3.29Å; R692-F901 HydrophobicContact CG-CD1 4.47Å; R692-F901 HydrophobicContact CG-CE1 4.21Å; R692-F901 HydrophobicContact CG-CZ 4.24Å; R692-F901 VanDerWaalsContact CG-O 3.28Å; R692-F901 WeakPolarHBondContact CG-O 3.46Å; T695-F901 HydrophobicContact CG2-CD1 4.27Å; T695-F901 HydrophobicContact CG2-CE1 4.12Å; K871-F901 HydrophobicContact CD-CD2 4.18Å; K871-F901 HydrophobicContact CD-CE2 4.47Å; K871-F901 PolarHBondContact NZ-O 3.49Å; K871-F901 WeakPolarHBondContact O-CD2 3.45Å; Q874-F901 HydrophobicContact CB-CB 3.9Å; Q874-F901 HydrophobicContact CB-CD2 4.15Å; L875-F901 HydrophobicContact CB-CD2 3.98Å; L875-F901 HydrophobicContact CB-CE2 3.8Å; L875-F901 HydrophobicContact CB-CZ 4.19Å; L875-F901 HydrophobicContact CD1-CD1 4.41Å; L875-F901 HydrophobicContact CD1-CE1 3.93Å; L875-F901 HydrophobicContact CD1-CE2 4.4Å; L875-F901 HydrophobicContact CD1-CZ 3.94Å; L875-F901 HydrophobicContact CG-CZ 4.45Å; L878-F901 HydrophobicContact CD2-CB 4.36Å; L878-F901 HydrophobicContact CD2-CD1 3.64Å; L878-F901 HydrophobicContact CD2-CE1 4.41Å; L878-F901 HydrophobicContact CD2-CG 4.34Å; H899-F901 WeakPolarHBondContact ND1-CB 3.42Å; H899-F901 PolarHBondContact ND1-N 2.89Å; H899-F901 PolarHBondContact O-N 3.27Å
902	I	94.6	Very high	90.9	Very high	3 Å²	3	62.3 Å²	62.3	2%	0.015	32%	0.319	C	S	.	.	H	α-helix	trans	-84.4	-49	-179.6	-58.5	-175.1	0	0	0	110.7	R692 T695 Q696 F699 A896 H899 P900	R692-I902 PolarHBondContact NH1-O 3.12Å; T695-I902 HydrophobicContact CG2-CD1 4.04Å; T695-I902 HydrophobicContact CG2-CG1 4.4Å; Q696-I902 HydrophobicContact CB-CD1 4.36Å; Q696-I902 HydrophobicContact CB-CG2 4Å; Q696-I902 HydrophobicContact CG-CG2 3.91Å; F699-I902 HydrophobicContact CD2-CD1 3.66Å; F699-I902 HydrophobicContact CE2-CD1 3.87Å; A896-I902 VanDerWaalsContact O-CD1 3.3Å; A896-I902 WeakPolarHBondContact O-CD1 3.42Å; H899-I902 PolarHBondContact O-N 3.46Å; P900-I902 VanDerWaalsContact C-N 3.27Å; P900-I902 PolarHBondContact O-N 3.02Å
903	Q	93.1	Very high	90.6	Very high	113 Å²	113	62.9 Å²	62.9	53%	0.528	32%	0.315	S	S	.	.	H	α-helix	trans	-73.6	-40.5	-168.8	-68.3	-62.4	-29	0	0	114.1	L897 V898 H899	L897-Q903 PolarHBondContact O-NE2 3.22Å; V898-Q903 VanDerWaalsContact O-CG 3.29Å; V898-Q903 WeakPolarHBondContact O-CG 3.41Å; H899-Q903 PolarHBondContact O-N 3.12Å
904	E	87.7	Confident	90.4	Very high	63 Å²	63	66.5 Å²	66.5	29%	0.294	33%	0.332	S	S	.	.	S	Bend	trans	-70.4	136.4	176.8	-61	-175.4	168.6	0	0	110.7	R870 K871 Q874 P900	R870-E904 IonicContact CZ-OE1 3.8Å; R870-E904 IonicContact CZ-OE2 2.91Å; R870-E904 VanDerWaalsContact CZ-OE2 3.27Å; R870-E904 IonicContact NE-OE2 3.57Å; R870-E904 PolarHBondContact NE-OE2 3.29Å; R870-E904 IonicContact NH2-OE1 2.68Å; R870-E904 PolarHBondContact NH2-OE1 3.42Å; R870-E904 IonicContact NH2-OE2 2.71Å; R870-E904 PolarHBondContact NH2-OE2 3.41Å; K871-E904 WeakPolarHBondContact CE-O 3.39Å; K871-E904 PolarHBondContact NZ-O 3.07Å; Q874-E904 PolarHBondContact NE2-OE2 3.35Å; P900-E904 HydrophobicContact CB-CG 4.42Å; P900-E904 WeakPolarHBondContact O-CB 3.49Å; P900-E904 PolarHBondContact O-N 3.01Å
905	K	75.4	Confident	90.1	Very high	194 Å²	194	63.9 Å²	63.9	84%	0.843	32%	0.317	S	S	*	.			trans	-76.2	166.8	174.9	-64.8	-178.2	-179.6	178.2	0	111.7
906	M	62.8	Low	89.7	Confident	82 Å²	82	59.1 Å²	59.1	40%	0.404	30%	0.296	S	S	.	.			trans	-135.6	0	171.2	-61.5	-176.1	76.5	0	0	110.1	I688 K689 Q868 K871	I688-M906 HydrophobicContact CG2-CE 3.74Å; I688-M906 HydrophobicContact CG2-SD 3.97Å; K689-M906 HydrophobicContact CD-CB 4.23Å; K689-M906 HydrophobicContact CD-SD 4.48Å; K689-M906 VanDerWaalsContact CE-CB 3.4Å; K689-M906 HydrophobicContact CG-CB 4.31Å; K689-M906 HydrophobicContact CG-CE 4.4Å; K689-M906 HydrophobicContact CG-SD 3.62Å; K689-M906 PolarHBondContact NZ-O 3.4Å; K689-M906 PolarHBondContact NZ-OXT 3.32Å; Q868-M906 HydrophobicContact CG-CE 4.14Å; K871-M906 HydrophobicContact CB-CE 4Å; K871-M906 HydrophobicContact CB-SD 3.97Å; K871-M906 HydrophobicContact CD-CG 3.82Å; K871-M906 HydrophobicContact CD-SD 3.93Å; K871-M906 HydrophobicContact CG-CE 3.85Å; K871-M906 HydrophobicContact CG-CG 3.62Å; K871-M906 HydrophobicContact CG-SD 3.56Å; K871-M906 VanDerWaalsContact CG-SD 3.56Å

Retrieved 906 of 906 residues in 194 ms (Link to these results)

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