A0A087WQ16_MOUSE Loading...

DNA mismatch repair protein

Component of the post-replicative DNA mismatch repair system (MMR). Heterodimerizes with MSH2 to form MutS beta which binds to DNA mismatches thereby initiating DNA repair. When bound, the MutS beta heterodimer bends the DNA helix and shields approximately 20 base pairs. MutS beta recognizes large insertion-deletion loops (IDL) up to 13 nucleotides long. After mismatch binding, forms a ternary complex with the MutL alpha heterodimer, which is thought to be responsible for directing the downstream MMR events, including strand discrimination, excision, and resynthesis.

AlphaFold DB , UniProt , Accession A0A087WQ16, Species MOUSE (Mus musculus, Mouse), Gene Msh3, Length 1,095 aa.

						>A0A087WQ16_MOUSE|A0A087WQ16|Msh3
MPRGKSASGGSTAAGPGPGRQTVLSRFFRSAGSLRSSASSTEPAEKVTEGDSRKRSLGNGGPTKKKARKVPEKEEENISVAAHHPEAKKCLRPRIVLKSLEKLKEFCCDSALPQNRVQTEALRERLEVLPRCTDFEDITLQRAKNAVLSEDSKSQANQKDSQFGPCPEVFQKTSDCKPFNKRSKSVYTPLELQYLDMKQQHKDAVLCVECGYKYRFFGEDAEIAARELNIYCHLDHNFMTASIPTHRLFVHVRRLVAKGYKVGVVKQTETAALKAIGDNKSSVFSRKLTALYTKSTLIGEDVNPLIRLDDSVNIDEVMTDTSTNYLLCIYEEKENIKDKKKGNLSVGIVGVQPATGEVVFDCFQDSASRLELETRISSLQPVELLLPSDLSVPTEMLIQRATNVSVRDDRIRVERMNNTYFEYSHAFQTVTEFYAREIVDSQGSQSLSGVINLEKPVICALAAVIRYLKEFNLEKMLSKPESFKQLSSGMEFMRINGTTLRNLEILQNQTDMKTKGSLLWVLDHTKTSFGRRKLKNWVTQPLLKLREINARLDAVSDVLHSESSVFEQIENLLRKLPDVERGLCSIYHKKCSTQEFFLIVKSLCQLKSELQALMPAVNSHVQSDLLRALIVEAPELLSPVEHYLKVLNGPAAKVGDKTELFKDLSDFPLIKKRKNEIQEVIHSIQMRLQEFRKILKLPSLQYVTVSGQEFMIEIKNSAVSCIPADWVKVGSTKAVSRFHPPFIVESYRRLNQLREQLVLDCNAEWLGFLENFGEHYHTLCKAVDHLATVDCIFSLAKVAKQGNYCRPTLQEEKKIIIKNGRHPMIDVLLGEQDQFVPNSTSLSQDSERVMIITGPNMGGKSSYIKQVALVTIMAQIGSYVPAEEATIGIVDGIFTRMGAADNIYKGRSTFMEELTDTAEIIRRASPQSLVILDELGRGTSTHDGIAIAYATLEYFIRDVKSLTLFVTHYPPVCELEKCYPEQVGNYHMGFLVNEDESKQDSGDMEQMPDSVTFLYQITRGIAARSYGLNVAKLADVPREVLQKAAHKSKELEGLVSLRRKRLECFTDLWTTHSVKDLHTWADKLEMEEIQTSLPH
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	25.8	Very low	30	Very low	243 Å²	243	132.8 Å²	132.8	100%	1.197	84%	0.835	S	S	*	*				0	159	0	-70.2	-169.2	-174.7	0	0	108.4
2	P	50.6	Low	29.9	Very low	106 Å²	106	133.2 Å²	133.2	69%	0.688	84%	0.836	S	S	*	*			cis	-125.9	162.4	-17.4	35.8	-19.8	0	0	0	114.4
3	R	30.8	Very low	29.8	Very low	251 Å²	251	131.2 Å²	131.2	95%	0.947	84%	0.839	S	S	*	*			trans	37.2	144.4	134	-55.5	169.8	179	171.9	-2.1	120.5
4	G	28.9	Very low	29.7	Very low	65 Å²	65	129.3 Å²	129.3	67%	0.67	84%	0.841	S	S	*	*			cis	-164.7	167.1	6.6	0	0	0	0	0	111.4
5	K	29.9	Very low	29.5	Very low	208 Å²	208	125.5 Å²	125.5	90%	0.904	84%	0.835	S	S	*	*				54.9	132.2	90.8	-70.8	-166.5	177.3	-170.3	0	113.9
6	S	27.6	Very low	30.1	Very low	106 Å²	106	126.3 Å²	126.3	74%	0.741	84%	0.839	S	S	*	*			cis	-176.3	166.4	11.2	43.7	0	0	0	0	113.6
7	A	28.6	Very low	30	Very low	92 Å²	92	122.8 Å²	122.8	76%	0.76	83%	0.831	S	S	*	*			trans	70.3	158.4	149.7	0	0	0	0	0	118.3
8	S	27.5	Very low	30.3	Very low	118 Å²	118	123.4 Å²	123.4	83%	0.825	83%	0.833	S	S	*	*			cis	-171	157.4	-12.5	43.7	0	0	0	0	112.5
9	G	26	Very low	30.1	Very low	85 Å²	85	121 Å²	121	88%	0.876	83%	0.831	S	S	*	*			trans	88.6	153.3	171.9	0	0	0	0	0	114.2
10	G	27.1	Very low	30.1	Very low	81 Å²	81	127.5 Å²	127.5	84%	0.835	84%	0.837	S	S	*	*			cis	128.6	134	7.1	0	0	0	0	0	110
11	S	27.6	Very low	30	Very low	106 Å²	106	130.8 Å²	130.8	74%	0.741	84%	0.841	S	S	*	*			cis	-162.2	162	6.2	58.5	0	0	0	0	113.3
12	T	28.4	Very low	30	Very low	137 Å²	137	125.7 Å²	125.7	84%	0.84	82%	0.824	S	S	*	*			trans	52.7	118.6	150.3	52.8	0	0	0	0	123
13	A	28.5	Very low	29	Very low	107 Å²	107	127.5 Å²	127.5	88%	0.884	83%	0.832	S	S	*	*			trans	-160.4	163.8	135.4	0	0	0	0	0	111.2
14	A	28.1	Very low	28.8	Very low	105 Å²	105	123.4 Å²	123.4	87%	0.868	83%	0.828	S	S	*	*			trans	-87.5	170.1	-167.5	0	0	0	0	0	116.2
15	G	27.6	Very low	28.8	Very low	73 Å²	73	125.9 Å²	125.9	75%	0.753	84%	0.836	S	S	*	*			trans	-83.1	-150.5	176.9	0	0	0	0	0	114.7
16	P	39.2	Very low	28.6	Very low	137 Å²	137	126 Å²	126	89%	0.89	83%	0.83	S	S	*	*			cis	-120.1	-179.5	25.5	41.9	-30.5	0	0	0	114.9
17	G	28.6	Very low	28.5	Very low	68 Å²	68	129.1 Å²	129.1	70%	0.701	83%	0.831	S	S	*	*			trans	-122.9	-176.8	173.4	0	0	0	0	0	113.4
18	P	34.8	Very low	28.5	Very low	133 Å²	133	134.7 Å²	134.7	86%	0.864	84%	0.838	S	S	*	*			trans	-133.3	151.9	167	38.8	-25.3	0	0	0	116
19	G	27	Very low	28.3	Very low	78 Å²	78	141 Å²	141	80%	0.804	84%	0.844	S	S	*	*			trans	69.4	96.8	135.3	0	0	0	0	0	120.4
20	R	29.1	Very low	28.3	Very low	251 Å²	251	142.5 Å²	142.5	95%	0.947	84%	0.841	S	S	*	*			trans	-77.7	138.5	148.5	-79.3	-179.9	170.5	172.2	-3.5	109.8
21	Q	27.4	Very low	28.4	Very low	196 Å²	196	143.3 Å²	143.3	92%	0.916	84%	0.84	S	S	*	*			trans	-129.1	136.2	151.5	-80.7	-167.5	-14.8	0	0	109.9
22	T	27.6	Very low	28.2	Very low	137 Å²	137	142.2 Å²	142.2	84%	0.84	85%	0.845	S	S	*	*			trans	-97.8	135.5	178.2	38.6	0	0	0	0	110.2
23	V	28.8	Very low	28	Very low	144 Å²	144	140.7 Å²	140.7	87%	0.873	84%	0.84	S	S	*	*			trans	-107.4	129.2	170.6	178.6	0	0	0	0	109
24	L	26.7	Very low	27.9	Very low	164 Å²	164	142.3 Å²	142.3	86%	0.859	83%	0.833	S	S	*	*			trans	-84	129.9	175.2	-77.7	150.2	0	0	0	110.2
25	S	28.2	Very low	27.8	Very low	118 Å²	118	148.2 Å²	148.2	83%	0.825	83%	0.833	S	S	*	*			trans	-110	143.4	160.7	59.5	0	0	0	0	109.9
26	R	26.6	Very low	27.7	Very low	210 Å²	210	149.8 Å²	149.8	79%	0.792	83%	0.833	S	S	*	*			trans	-158.1	138.5	-176.8	-133.8	179.7	-167.8	-174.6	4.2	110.3
27	F	25.7	Very low	26.9	Very low	172 Å²	172	148.8 Å²	148.8	75%	0.754	83%	0.829	S	S	*	*			trans	66.9	141.5	-174.5	-46.7	-78.7	0	0	0	112.9
28	F	26.9	Very low	26.8	Very low	209 Å²	209	149.6 Å²	149.6	92%	0.917	83%	0.829	S	S	*	*			cis	-109.1	169.1	16	-83.5	-104.9	0	0	0	115
29	R	24.5	Very low	26.4	Very low	249 Å²	249	148.8 Å²	148.8	94%	0.94	83%	0.827	S	S	*	*			trans	-113.5	137.6	166.6	-83.7	-179.8	168	176.3	-4.9	109.7
30	S	26.5	Very low	26.3	Very low	117 Å²	117	149.7 Å²	149.7	82%	0.818	82%	0.82	S	S	*	*			trans	-148.3	97.1	154.3	-170.7	0	0	0	0	106.2
31	A	27.8	Very low	26.1	Very low	99 Å²	99	143.5 Å²	143.5	82%	0.818	81%	0.811	S	S	*	*				66.7	83.4	103.8	0	0	0	0	0	112.5
32	G	23.8	Very low	25.9	Very low	82 Å²	82	143 Å²	143	85%	0.845	81%	0.808	S	S	*	*			trans	-102.9	167.2	171.5	0	0	0	0	0	112.4
33	S	25	Very low	26.4	Very low	105 Å²	105	141.3 Å²	141.3	73%	0.734	80%	0.8	S	S	*	*			trans	-135.1	129.1	176.2	-167.6	0	0	0	0	110.8
34	L	26.3	Very low	26.3	Very low	141 Å²	141	138.6 Å²	138.6	74%	0.738	79%	0.792	S	S	*	*			trans	35	141.8	140	-57.6	174.3	0	0	0	121.4
35	R	25.3	Very low	26.2	Very low	229 Å²	229	137.6 Å²	137.6	86%	0.864	78%	0.783	S	S	*	*			cis	-177.5	120.8	-17.1	-152.7	-169.7	-152.2	172	2.7	110.9
36	S	25.6	Very low	26	Very low	107 Å²	107	139.9 Å²	139.9	75%	0.748	78%	0.778	S	S	*	*			trans	-175.6	116.8	162.4	33.5	0	0	0	0	108.2
37	S	23.5	Very low	25.9	Very low	116 Å²	116	135.3 Å²	135.3	81%	0.811	77%	0.773	S	S	*	*				69.9	124.5	73	73.4	0	0	0	0	113
38	A	25.1	Very low	25.9	Very low	85 Å²	85	132.5 Å²	132.5	70%	0.702	77%	0.77	S	S	*	*			cis	-158.8	-177.8	9.2	0	0	0	0	0	113.1
39	S	26.1	Very low	25.8	Very low	116 Å²	116	131.4 Å²	131.4	81%	0.811	77%	0.768	S	S	*	*			trans	64.3	142.1	159.2	40.8	0	0	0	0	119.4
40	S	25	Very low	25.9	Very low	96 Å²	96	122.6 Å²	122.6	67%	0.671	76%	0.755	S	S	*	*			cis	-165.3	173.7	-10.5	53.2	0	0	0	0	111.5
41	T	25.7	Very low	25.9	Very low	122 Å²	122	124.5 Å²	124.5	75%	0.748	76%	0.756	S	S	*	*			trans	55.8	100.2	154.6	44.2	0	0	0	0	116.8
42	E	23.9	Very low	26	Very low	184 Å²	184	123.2 Å²	123.2	86%	0.86	74%	0.741	S	S	*	*				42.2	147.9	65.5	-95	-163.5	-137.6	0	0	115.4
43	P	38.4	Very low	26.3	Very low	103 Å²	103	128.9 Å²	128.9	67%	0.669	74%	0.737	S	S	*	*			cis	-136.3	-167.2	16.8	41.5	-22.8	0	0	0	115.8
44	A	24.8	Very low	26.6	Very low	86 Å²	86	131.6 Å²	131.6	71%	0.711	74%	0.736	S	S	*	*			trans	75.6	143.8	152.4	0	0	0	0	0	118.7
45	E	24.6	Very low	26.8	Very low	144 Å²	144	135.8 Å²	135.8	67%	0.673	74%	0.742	S	S	*	*			cis	-157.4	157.5	-3.2	-125.2	-172.8	173.8	0	0	113.2
46	K	25.1	Very low	26.8	Very low	166 Å²	166	129.7 Å²	129.7	72%	0.722	73%	0.734	S	S	*	*			trans	35.7	148.8	134.6	-77.2	175.4	-164.1	157.8	0	122.3
47	V	24.1	Very low	26.9	Very low	113 Å²	113	132.7 Å²	132.7	69%	0.685	74%	0.741	S	S	*	*			cis	-171.5	164.9	-9.7	74.6	0	0	0	0	111
48	T	25.2	Very low	27	Very low	113 Å²	113	130.8 Å²	130.8	69%	0.693	74%	0.74	S	S	*	*			trans	60.5	163.1	166	49.1	0	0	0	0	117.6
49	E	25.8	Very low	27.2	Very low	186 Å²	186	135 Å²	135	87%	0.869	75%	0.75	S	S	*	*			cis	-149.5	162	-1.7	-129.6	159.5	-145.3	0	0	106.1
50	G	26.7	Very low	27.1	Very low	65 Å²	65	132.8 Å²	132.8	67%	0.67	75%	0.746	S	S	*	*			cis	168.4	148.3	4.6	0	0	0	0	0	109.1
51	D	26.5	Very low	27.2	Very low	157 Å²	157	132 Å²	132	84%	0.84	75%	0.753	S	S	*	*			trans	54.2	151.4	147.7	-130.2	19.4	0	0	0	120.8
52	S	29	Very low	28.6	Very low	72 Å²	72	131.6 Å²	131.6	50%	0.503	75%	0.753	S	S	.	*			cis	-161	154.4	11.7	86.4	0	0	0	0	114.5
53	R	30.1	Very low	28.9	Very low	201 Å²	201	128 Å²	128	76%	0.758	74%	0.743	S	S	*	*			trans	66.2	153	147.1	-62.6	165.8	-173.7	-169	-0	118.6
54	K	31.6	Very low	28.7	Very low	161 Å²	161	131.9 Å²	131.9	70%	0.7	75%	0.75	S	S	*	*			cis	-163.3	148	-7.1	-118.3	172.4	-177.5	180	0	110.7
55	R	29.8	Very low	28.8	Very low	229 Å²	229	136.7 Å²	136.7	86%	0.864	76%	0.755	S	S	*	*			trans	27.2	153.3	143.6	-61.7	-178.8	179.1	176.5	-1.1	121
56	S	25.8	Very low	29.1	Very low	101 Å²	101	139.7 Å²	139.7	71%	0.706	77%	0.766	S	S	*	*			cis	-155.3	149.9	25.7	41.3	0	0	0	0	111.8
57	L	27.7	Very low	29.3	Very low	170 Å²	170	135.8 Å²	135.8	89%	0.89	76%	0.764	S	S	*	*				33.2	134.7	97.5	-60.3	158	0	0	0	114.4
58	G	26.3	Very low	29.6	Very low	76 Å²	76	141.9 Å²	141.9	78%	0.784	78%	0.775	S	S	*	*			cis	168.2	-167.2	10.4	0	0	0	0	0	107.1
59	N	28.5	Very low	29.7	Very low	173 Å²	173	144.5 Å²	144.5	93%	0.925	78%	0.777	S	S	*	*			cis	-170.7	161.5	-9.7	-176.8	18.9	0	0	0	108.5
60	G	24.5	Very low	29.7	Very low	71 Å²	71	141.2 Å²	141.2	73%	0.732	77%	0.769	S	S	*	*			trans	110.9	133.6	147.6	0	0	0	0	0	120.9
61	G	27.1	Very low	30.8	Very low	79 Å²	79	142.1 Å²	142.1	81%	0.814	76%	0.763	S	S	*	*			trans	132.8	116.6	152.6	0	0	0	0	0	117.4
62	P	55.7	Low	31	Very low	114 Å²	114	142 Å²	142	74%	0.74	76%	0.758	S	S	*	*			trans	-132.1	169.6	-172.6	36.5	-18.9	0	0	0	117.1
63	T	30.6	Very low	31	Very low	108 Å²	108	145.2 Å²	145.2	66%	0.663	76%	0.762	S	S	*	*				166.1	137.5	111.6	39.2	0	0	0	0	117.6
64	K	32.2	Very low	30.9	Very low	185 Å²	185	141.9 Å²	141.9	80%	0.804	76%	0.755	S	S	*	*			trans	65.8	148.2	138.9	-69.5	166.3	-172.4	169.7	0	118.9
65	K	28.7	Very low	30.7	Very low	187 Å²	187	142.1 Å²	142.1	81%	0.813	76%	0.759	S	S	*	*			cis	-142.3	142.1	2.6	-91.2	140.5	174	-175.4	0	107.6
66	K	30.5	Very low	30.6	Very low	207 Å²	207	138.7 Å²	138.7	90%	0.9	75%	0.753	S	S	*	*				57	139	84.3	-82.8	-171.2	179.1	-178	0	115.7
67	A	28	Very low	30.6	Very low	84 Å²	84	139.1 Å²	139.1	69%	0.694	75%	0.747	S	S	*	*			cis	-162.5	162.6	21.5	0	0	0	0	0	117.2
68	R	30.5	Very low	30.5	Very low	240 Å²	240	137.8 Å²	137.8	91%	0.906	74%	0.739	S	S	*	*			trans	47.1	155	138.6	-70.1	177.5	165.7	-177.8	-6.2	121.5
69	K	27.8	Very low	30.4	Very low	169 Å²	169	138.7 Å²	138.7	74%	0.735	73%	0.734	S	S	*	*			cis	-161.4	163.6	-1	-120.5	-155.6	154.7	-152.8	0	106.6
70	V	27.2	Very low	30.2	Very low	116 Å²	116	137.3 Å²	137.3	70%	0.703	73%	0.731	S	S	*	*			cis	81.2	126	15.2	175	0	0	0	0	115.3
71	P	48.4	Very low	30.3	Very low	84 Å²	84	138 Å²	138	55%	0.545	73%	0.73	S	S	.	*			cis	-147	-174.9	17.9	44.2	-23.3	0	0	0	120
72	E	30.6	Very low	30.1	Very low	156 Å²	156	138.3 Å²	138.3	73%	0.729	73%	0.725	S	S	*	*			trans	60.1	163.7	139	-75.5	160	-117.3	0	0	122.8
73	K	29.7	Very low	28.7	Very low	139 Å²	139	141.5 Å²	141.5	60%	0.604	73%	0.73	S	S	*	*			cis	-161.8	159.3	5.2	-128.4	166.9	-175.6	-77.2	0	114.3
74	E	28.1	Very low	28.3	Very low	130 Å²	130	144.7 Å²	144.7	61%	0.607	74%	0.737	S	S	*	*			trans	44.3	135	142.6	-80.8	147.8	-153.4	0	0	128.6
75	E	28	Very low	28.5	Very low	166 Å²	166	141.9 Å²	141.9	78%	0.776	74%	0.737	S	S	*	*				83.1	133	127.6	-75.3	172.9	-177	0	0	128.9
76	E	27.8	Very low	28.3	Very low	158 Å²	158	141.5 Å²	141.5	74%	0.738	74%	0.738	S	S	*	*			trans	70.3	130.1	138.1	-70	-146.2	142.1	0	0	128.8
77	N	25.2	Very low	28.1	Very low	110 Å²	110	135.7 Å²	135.7	59%	0.588	73%	0.729	S	S	*	*				75.8	120	129.2	-74.2	-26.6	0	0	0	128.1
78	I	26.2	Very low	28.1	Very low	141 Å²	141	140.5 Å²	140.5	72%	0.723	73%	0.734	S	S	*	*				84.1	130.3	122.2	-66.9	171.2	0	0	0	123.8
79	S	23.7	Very low	28	Very low	96 Å²	96	138 Å²	138	67%	0.671	73%	0.73	S	S	*	*			trans	74.5	119.7	148.6	74	0	0	0	0	125.8
80	V	24.8	Very low	27.9	Very low	143 Å²	143	134.9 Å²	134.9	87%	0.867	73%	0.729	S	S	*	*				63.4	139.3	115.2	179.2	0	0	0	0	123.3
81	A	24.7	Very low	28	Very low	86 Å²	86	136 Å²	136	71%	0.711	73%	0.73	S	S	*	*			trans	83.8	95.7	153.7	0	0	0	0	0	123.1
82	A	24.8	Very low	27.1	Very low	86 Å²	86	141.3 Å²	141.3	71%	0.711	74%	0.739	S	S	*	*				81.7	146.5	107.4	0	0	0	0	0	124.1
83	H	24.4	Very low	27.3	Very low	181 Å²	181	139.9 Å²	139.9	84%	0.838	74%	0.743	S	S	*	*			trans	78.3	124.9	161.7	-67.5	-69.2	0	0	0	123.1
84	H	23.6	Very low	27.4	Very low	174 Å²	174	143.1 Å²	143.1	81%	0.806	75%	0.752	S	S	*	*			trans	-32.6	163.7	152.1	-73.3	-65	0	0	0	116.8
85	P	36	Very low	27.6	Very low	126 Å²	126	142.7 Å²	142.7	82%	0.818	75%	0.752	S	S	*	*			cis	-146.6	-162.4	37.2	43.6	-21.8	0	0	0	118.9
86	E	25.5	Very low	27.9	Very low	179 Å²	179	139.7 Å²	139.7	84%	0.836	75%	0.745	S	S	*	*			trans	-63.7	137.9	-161.2	-51.9	-179.1	121.7	0	0	119.8
87	A	25.8	Very low	28	Very low	86 Å²	86	137.9 Å²	137.9	71%	0.711	74%	0.74	S	S	*	*				35.8	133.5	125.6	0	0	0	0	0	123.2
88	K	26.5	Very low	28.3	Very low	184 Å²	184	141.8 Å²	141.8	80%	0.8	75%	0.752	S	S	*	*				-166.7	130.2	124	-101.2	139.6	-165.3	159.2	0	114.1
89	K	29.5	Very low	28.5	Very low	188 Å²	188	141 Å²	141	82%	0.817	76%	0.759	S	S	*	*				50.7	149.7	124.7	-63	-171.4	-178.3	-179.4	0	119.9
90	C	25.6	Very low	29.1	Very low	104 Å²	104	142.2 Å²	142.2	70%	0.703	76%	0.757	S	S	*	*			cis	-174.1	168.6	0.7	-106.8	0	0	0	0	107.3
91	L	29.6	Very low	29.5	Very low	139 Å²	139	142.4 Å²	142.4	73%	0.728	75%	0.748	S	S	*	*			cis	-150.2	154.3	-2.6	-95.9	157.2	0	0	0	106.3
92	R	29.6	Very low	30	Very low	196 Å²	196	147.9 Å²	147.9	74%	0.74	76%	0.756	S	S	*	*				40.2	137.2	87.2	-60.5	-174.3	173.1	-179.2	-3	116.6
93	P	34	Very low	30.5	Very low	126 Å²	126	151.6 Å²	151.6	82%	0.818	76%	0.763	S	S	*	*				-100.8	154.4	78.1	-15.2	32.7	0	0	0	113.1
94	R	32.2	Very low	30.8	Very low	207 Å²	207	152 Å²	152	78%	0.781	76%	0.763	S	S	*	*			cis	81.3	136.7	34.8	-76.6	-169	158.6	178.6	-5.1	114.8
95	I	32.3	Very low	31.3	Very low	120 Å²	120	152.3 Å²	152.3	62%	0.615	76%	0.764	S	S	*	*			cis	-160.1	126	-20.3	-122.3	171.2	0	0	0	107.2
96	V	33.4	Very low	30.9	Very low	103 Å²	103	155.2 Å²	155.2	62%	0.624	76%	0.764	S	S	*	*				52	125.6	100.4	-166.9	0	0	0	0	117
97	L	31	Very low	30.9	Very low	121 Å²	121	152.6 Å²	152.6	63%	0.634	76%	0.764	S	S	*	*				165.2	122.5	124.2	-90.2	170.8	0	0	0	114	E101	L97-E101 HydrophobicContact CD2-CG 4.49Å
98	K	30.3	Very low	30.9	Very low	192 Å²	192	153.3 Å²	153.3	84%	0.835	76%	0.763	S	S	*	*	S	Bend	trans	-178.5	-13.8	140.9	-110.6	177	-179.3	178.2	0	116.1
99	S	31.5	Very low	30.9	Very low	124 Å²	124	152.5 Å²	152.5	87%	0.867	77%	0.768	S	S	*	*	S	Bend	trans	-104	8.2	-175.5	-45.9	0	0	0	0	115.4
100	L	35.4	Very low	30.7	Very low	122 Å²	122	149 Å²	149	64%	0.639	77%	0.767	S	S	*	*	S	Bend	trans	-116.9	3.5	-168	-106.3	166.1	0	0	0	115.1
101	E	33.8	Very low	30.7	Very low	146 Å²	146	148.9 Å²	148.9	68%	0.682	77%	0.773	S	S	*	*	S	Bend	trans	-101.7	5.1	-173.6	-67.4	174	138.8	0	0	114	L97	L97-E101 HydrophobicContact CD2-CG 4.49Å
102	K	36.2	Very low	30.7	Very low	202 Å²	202	150.1 Å²	150.1	88%	0.878	78%	0.78	S	S	*	*	S	Bend	trans	-118.5	12.6	-178.4	-77.1	-162.4	169.4	-167.2	0	115.7
103	L	34.2	Very low	31	Very low	164 Å²	164	145.6 Å²	145.6	86%	0.859	78%	0.775	S	S	*	*	S	Bend	trans	-135	37.6	-178.8	-74.6	171.2	0	0	0	112.1
104	K	30.2	Very low	30.5	Very low	190 Å²	190	147.3 Å²	147.3	83%	0.826	77%	0.773	S	S	*	*			trans	-142.7	25	-175.2	-99.2	-156.3	169.7	-154.5	0	115.8
105	E	35.3	Very low	30.2	Very low	180 Å²	180	143.4 Å²	143.4	84%	0.841	77%	0.767	S	S	*	*	S	Bend	trans	-107.8	4.6	-176.7	-150.2	162.1	-135.4	0	0	114
106	F	26.8	Very low	29.9	Very low	187 Å²	187	148.5 Å²	148.5	82%	0.82	78%	0.779	S	S	*	*	S	Bend	trans	-136.1	139.2	175.1	-79.6	-89.7	0	0	0	111.7
107	C	25.3	Very low	29.5	Very low	123 Å²	123	149.4 Å²	149.4	83%	0.831	78%	0.784	S	S	*	*			trans	66.9	125	-177.2	-60.7	0	0	0	0	115.4
108	C	26.4	Very low	29.2	Very low	101 Å²	101	151.6 Å²	151.6	68%	0.682	79%	0.791	S	S	*	*			cis	-150.9	161.5	-5.6	-82.1	0	0	0	0	109.2
109	D	26	Very low	28.9	Very low	168 Å²	168	147 Å²	147	90%	0.898	78%	0.779	S	S	*	*				177	170.6	111.1	-90.9	-10.5	0	0	0	113.5
110	S	26.8	Very low	28.5	Very low	114 Å²	114	149.6 Å²	149.6	80%	0.797	78%	0.778	S	S	*	*			trans	-104.9	146.7	-158.9	59.1	0	0	0	0	116
111	A	24.9	Very low	28.1	Very low	102 Å²	102	147.4 Å²	147.4	84%	0.843	78%	0.778	S	S	*	*			trans	-162.1	147.3	141.3	0	0	0	0	0	113.2
112	L	28.4	Very low	27.7	Very low	165 Å²	165	147.2 Å²	147.2	86%	0.864	78%	0.78	S	S	*	*			trans	-83.6	170.6	162.8	-76.2	166.8	0	0	0	109.2
113	P	36.2	Very low	27.1	Very low	100 Å²	100	147.2 Å²	147.2	65%	0.649	78%	0.775	S	S	*	*			cis	-154.5	-178.5	31.3	44.4	-22.5	0	0	0	120.3
114	Q	24.7	Very low	26.7	Very low	162 Å²	162	147 Å²	147	76%	0.757	77%	0.769	S	S	*	*			trans	78.3	127.2	140.4	-90.3	176.3	32.1	0	0	124
115	N	25.4	Very low	26.9	Very low	126 Å²	126	149.3 Å²	149.3	67%	0.674	77%	0.773	S	S	*	*			trans	88.7	137.2	134.3	-70.7	-28	0	0	0	122.7
116	R	25.9	Very low	26.3	Very low	227 Å²	227	148.8 Å²	148.8	86%	0.857	78%	0.775	S	S	*	*			trans	76.6	117.4	158.1	-76.1	173.8	-178.7	-179.4	-0.7	116.3
117	V	24.2	Very low	26.1	Very low	122 Å²	122	148 Å²	148	74%	0.739	77%	0.774	S	S	*	*				77.9	125.3	78.1	158	0	0	0	0	109.7
118	Q	25.3	Very low	26.1	Very low	166 Å²	166	148.2 Å²	148.2	78%	0.776	77%	0.771	S	S	*	*			cis	-155	171.8	24.9	-138.6	159.2	-12.4	0	0	114.7
119	T	24.1	Very low	26	Very low	96 Å²	96	149.7 Å²	149.7	59%	0.589	77%	0.772	S	S	*	*			trans	-9.7	141.4	159.2	50.3	0	0	0	0	123.2
120	E	23.5	Very low	26.1	Very low	179 Å²	179	147.7 Å²	147.7	84%	0.836	77%	0.768	S	S	*	*				66.6	165.8	129.4	-64.9	172.9	146.5	0	0	121
121	A	27	Very low	26.2	Very low	76 Å²	76	152.7 Å²	152.7	63%	0.628	77%	0.769	S	S	*	*			cis	-172.2	171.8	-37.6	0	0	0	0	0	109.8
122	L	24.2	Very low	26.2	Very low	142 Å²	142	153.3 Å²	153.3	74%	0.743	77%	0.766	S	S	*	*			trans	69.7	135.5	161.8	-65.1	162.2	0	0	0	115.7
123	R	23.7	Very low	26	Very low	201 Å²	201	150.3 Å²	150.3	76%	0.758	76%	0.755	S	S	*	*				55.3	140	86	-60.4	-173	-169.5	177.7	5.1	113.9
124	E	26.1	Very low	25.4	Very low	160 Å²	160	151.8 Å²	151.8	75%	0.748	76%	0.757	S	S	*	*			cis	-150.5	-171.6	7.3	-139.6	145.2	-148.2	0	0	112.8
125	R	33.9	Very low	25.4	Very low	238 Å²	238	153.2 Å²	153.2	90%	0.898	76%	0.761	S	S	*	*			trans	-72.4	151.3	179	-64.3	171.3	173.3	151.7	-5.4	112.5
126	L	23.4	Very low	25.4	Very low	169 Å²	169	154.8 Å²	154.8	89%	0.885	77%	0.765	S	S	*	*			trans	-154.1	175.3	142.3	-111.4	163.7	0	0	0	110.5
127	E	23.5	Very low	25.3	Very low	170 Å²	170	150.8 Å²	150.8	79%	0.794	76%	0.76	S	S	*	*			trans	-116	-176	-154.1	-59.9	-179.7	119.2	0	0	114.8
128	V	24.6	Very low	25.3	Very low	128 Å²	128	150.9 Å²	150.9	78%	0.776	76%	0.755	S	S	*	*			trans	80.4	98.2	160.4	-161.5	0	0	0	0	118
129	L	25	Very low	25.3	Very low	132 Å²	132	149 Å²	149	69%	0.691	76%	0.755	S	S	*	*				27.6	139.4	117.9	-82.2	165.7	0	0	0	119.5	R131	L129-R131 HydrophobicContact CD2-CG 3.98Å
130	P	27.7	Very low	25.2	Very low	126 Å²	126	152.1 Å²	152.1	82%	0.818	77%	0.768	S	S	*	*				-131.8	153.3	83.3	37.4	-29	0	0	0	115.8
131	R	29	Very low	25.2	Very low	219 Å²	219	151 Å²	151	83%	0.826	76%	0.762	S	S	*	*			trans	-87.8	135.2	155.2	-67	170	175.3	171.5	-3.7	107.9	L129	L129-R131 HydrophobicContact CD2-CG 3.98Å
132	C	23.9	Very low	25.1	Very low	116 Å²	116	158.6 Å²	158.6	78%	0.784	78%	0.775	S	S	*	*			trans	-159.1	150.6	148	-85.9	0	0	0	0	109.2
133	T	24.3	Very low	25.1	Very low	101 Å²	101	156.4 Å²	156.4	62%	0.62	78%	0.777	S	S	*	*			cis	-167.1	177.2	-38.7	32.7	0	0	0	0	107.3
134	D	25.1	Very low	25.1	Very low	131 Å²	131	155.8 Å²	155.8	70%	0.701	78%	0.78	S	S	*	*			trans	73.5	131.8	157	-44	-48.6	0	0	0	118.3
135	F	23.5	Very low	25.1	Very low	192 Å²	192	155.5 Å²	155.5	84%	0.842	78%	0.784	S	S	*	*			cis	97.7	156.3	27.4	-87.5	-92.4	0	0	0	115.9
136	E	25.6	Very low	24.6	Very low	160 Å²	160	148.6 Å²	148.6	75%	0.748	78%	0.777	S	S	*	*			trans	73.1	137.7	178.1	-48.8	-170	152.1	0	0	114.6	I138	E136-I138 HydrophobicContact CG-CD1 4.21Å
137	D	23.6	Very low	24.8	Very low	143 Å²	143	146.4 Å²	146.4	77%	0.765	77%	0.771	S	S	*	*			cis	-109.9	149.7	-2.9	-81	-54.8	0	0	0	111
138	I	24.3	Very low	24.9	Very low	124 Å²	124	145.7 Å²	145.7	64%	0.636	77%	0.771	S	S	*	*			cis	79.8	123.9	35.1	-56.8	179.7	0	0	0	114.3	E136	E136-I138 HydrophobicContact CG-CD1 4.21Å
139	T	25.3	Very low	24.9	Very low	127 Å²	127	145 Å²	145	78%	0.779	77%	0.773	S	S	*	*			trans	-69.2	125.9	-178.6	46.6	0	0	0	0	113.8
140	L	22.6	Very low	25	Very low	161 Å²	161	146.5 Å²	146.5	84%	0.843	78%	0.776	S	S	*	*			trans	-162.9	174.5	142.8	-135.9	72.9	0	0	0	113.2
141	Q	23.9	Very low	25	Very low	156 Å²	156	147.5 Å²	147.5	73%	0.729	77%	0.774	S	S	*	*			trans	63.2	78.7	167.3	-58.9	-158.9	41.7	0	0	119
142	R	25.2	Very low	24.9	Very low	234 Å²	234	140.6 Å²	140.6	88%	0.883	76%	0.76	S	S	*	*				175.8	95.1	91.2	-92.4	175.2	-174.1	-173.1	2	112.3
143	A	22.5	Very low	25.1	Very low	96 Å²	96	143.8 Å²	143.8	79%	0.793	76%	0.76	S	S	*	*			trans	-81.8	146.4	153.2	0	0	0	0	0	109.8
144	K	23.7	Very low	25.2	Very low	188 Å²	188	143.4 Å²	143.4	82%	0.817	76%	0.762	S	S	*	*			trans	-175.6	143.5	132.2	-105.9	170.4	-175.5	-176.6	0	112.9
145	N	26	Very low	25.3	Very low	155 Å²	155	146 Å²	146	83%	0.829	77%	0.77	S	S	*	*			trans	69.2	127.6	169.9	-43.9	-18.1	0	0	0	114.6
146	A	25	Very low	25.4	Very low	92 Å²	92	141 Å²	141	76%	0.76	76%	0.764	S	S	*	*			cis	-143.8	148.8	-7.6	0	0	0	0	0	107.5
147	V	26.6	Very low	25.4	Very low	124 Å²	124	140.5 Å²	140.5	75%	0.752	77%	0.766	S	S	*	*			cis	85.8	119.2	37.4	175.5	0	0	0	0	113.2
148	L	25.6	Very low	25.6	Very low	154 Å²	154	140.9 Å²	140.9	81%	0.806	76%	0.763	S	S	*	*			trans	71.5	148	-179.1	-62.3	163.3	0	0	0	116
149	S	25.5	Very low	25.8	Very low	115 Å²	115	142.9 Å²	142.9	80%	0.804	77%	0.768	S	S	*	*			cis	-126.8	172.4	10	60.1	0	0	0	0	114.7
150	E	27.1	Very low	25.8	Very low	162 Å²	162	143.6 Å²	143.6	76%	0.757	77%	0.767	S	S	*	*			trans	-103.1	-174.4	-167.1	-59.1	173.5	108	0	0	114.8
151	D	26.3	Very low	26.1	Very low	147 Å²	147	140.9 Å²	140.9	79%	0.786	76%	0.761	S	S	*	*			trans	73.6	147.3	156.2	-79.7	-11	0	0	0	121.7
152	S	28.2	Very low	26.3	Very low	74 Å²	74	141 Å²	141	52%	0.517	76%	0.762	S	S	.	*			cis	-167	158	-23.8	61.1	0	0	0	0	112.6
153	K	27.4	Very low	26.4	Very low	184 Å²	184	138.8 Å²	138.8	80%	0.8	76%	0.759	S	S	*	*			trans	65.1	156.4	153.7	-71.3	155.4	-169.1	155.8	0	117.2
154	S	25.6	Very low	26.5	Very low	93 Å²	93	137.7 Å²	137.7	65%	0.65	76%	0.757	S	S	*	*			cis	-167.6	155.3	-10.5	43.7	0	0	0	0	111.3
155	Q	27.2	Very low	26.5	Very low	185 Å²	185	134.8 Å²	134.8	86%	0.864	76%	0.757	S	S	*	*			trans	58.9	115.2	159.6	-66.9	170.2	-9.3	0	0	117.5
156	A	25.4	Very low	26.4	Very low	88 Å²	88	133.4 Å²	133.4	73%	0.727	76%	0.759	S	S	*	*				85.2	100	54	0	0	0	0	0	115.5
157	N	25.8	Very low	26.7	Very low	149 Å²	149	134.1 Å²	134.1	80%	0.797	76%	0.755	S	S	*	*				-170.2	147.3	117.8	-109.7	-38.7	0	0	0	115.8
158	Q	28.8	Very low	26.6	Very low	150 Å²	150	136.8 Å²	136.8	70%	0.701	76%	0.759	S	S	*	*			trans	52.4	112.2	149.5	-65	-171.1	32.4	0	0	122.7
159	K	27	Very low	26.6	Very low	166 Å²	166	135.6 Å²	135.6	72%	0.722	76%	0.759	S	S	*	*				107.5	141.7	114.9	-88.2	-170.4	174.5	-165.7	0	121.4
160	D	27.3	Very low	26.6	Very low	142 Å²	142	139.2 Å²	139.2	76%	0.759	76%	0.76	S	S	*	*			trans	63.9	156.3	158.2	-50.5	-15.9	0	0	0	117.9
161	S	27.2	Very low	26.7	Very low	104 Å²	104	140.3 Å²	140.3	73%	0.727	77%	0.765	S	S	*	*				-141.4	143.8	-129.9	58.1	0	0	0	0	116.9
162	Q	29	Very low	26.7	Very low	160 Å²	160	143.3 Å²	143.3	75%	0.748	77%	0.771	S	S	*	*			trans	75.8	128.4	150.7	-75.2	-176.9	-6.2	0	0	120.3
163	F	27.2	Very low	26.6	Very low	186 Å²	186	146.8 Å²	146.8	82%	0.816	79%	0.789	S	S	*	*			trans	42.3	123.6	150.9	-48.9	-59.7	0	0	0	120.2
164	G	25	Very low	26.5	Very low	73 Å²	73	143.2 Å²	143.2	75%	0.753	79%	0.788	S	S	*	*			cis	120.4	115	-5.7	0	0	0	0	0	114.7
165	P	24	Very low	26.7	Very low	127 Å²	127	146.3 Å²	146.3	83%	0.825	80%	0.797	S	S	*	*			trans	-117.4	142	168.6	37	-26.4	0	0	0	113.5
166	C	22.4	Very low	26.7	Very low	127 Å²	127	144.1 Å²	144.1	86%	0.858	80%	0.8	S	S	*	*			trans	-165.8	158.7	172.2	-97.3	0	0	0	0	110.7
167	P	32.1	Very low	27	Very low	107 Å²	107	149.3 Å²	149.3	70%	0.695	81%	0.807	S	S	*	*			cis	-134.6	160.1	-36.6	37.2	-22.1	0	0	0	112.9
168	E	23.9	Very low	27.5	Very low	179 Å²	179	148.2 Å²	148.2	84%	0.836	81%	0.808	S	S	*	*			trans	-77	141	168.1	-67.7	-172.8	138.2	0	0	111.7
169	V	26.1	Very low	27.6	Very low	130 Å²	130	150.8 Å²	150.8	79%	0.788	82%	0.817	S	S	*	*			trans	-99.2	107.4	179.7	178.4	0	0	0	0	110.6	Q171	V169-Q171 PolarHBondContact O-N 2.9Å
170	F	24.7	Very low	27.9	Very low	190 Å²	190	150.5 Å²	150.5	83%	0.833	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-70.1	123.6	170.7	-89.3	-99	0	0	0	111.7
171	Q	28.9	Very low	28.6	Very low	185 Å²	185	153.5 Å²	153.5	86%	0.864	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-90.6	150.4	159.4	-71.7	-169.4	-10.6	0	0	110.8	V169	V169-Q171 PolarHBondContact O-N 2.9Å
172	K	26.6	Very low	29.4	Very low	211 Å²	211	159.7 Å²	159.7	92%	0.917	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-88.7	138.1	-168.7	-65.3	176.5	179.6	175.5	0	112.3
173	T	26.2	Very low	30	Very low	146 Å²	146	158 Å²	158	90%	0.896	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-82.3	165.8	165.4	47.4	0	0	0	0	111.7
174	S	26.8	Very low	31.3	Very low	110 Å²	110	159.4 Å²	159.4	77%	0.769	85%	0.849	S	S	*	*			trans	-125.4	139.3	170.3	47.2	0	0	0	0	111.7
175	D	28.9	Very low	32.9	Very low	158 Å²	158	159.3 Å²	159.3	85%	0.845	84%	0.837	S	S	*	*			trans	35.1	108	160.9	-60.7	-15.3	0	0	0	121.5
176	C	27.1	Very low	35.9	Very low	138 Å²	138	158.9 Å²	158.9	93%	0.932	83%	0.831	S	S	*	*			trans	-143.6	147.5	140.2	-99	0	0	0	0	111.2
177	K	31	Very low	39.2	Very low	197 Å²	197	157.5 Å²	157.5	86%	0.857	81%	0.809	S	S	*	*			trans	-84	158.2	-177.6	-81.9	179.9	179.6	175.5	0	111.9
178	P	37.9	Very low	42.1	Very low	126 Å²	126	154.5 Å²	154.5	82%	0.818	79%	0.788	S	S	*	*			trans	-79.4	146.5	-153.3	30.1	-36.6	0	0	0	114.7
179	F	31.1	Very low	45.3	Very low	205 Å²	205	149.7 Å²	149.7	90%	0.899	77%	0.773	S	S	*	*			trans	-116.1	162.1	168.8	-109.5	-96	0	0	0	112.4
180	N	32.2	Very low	48.4	Very low	159 Å²	159	145 Å²	145	85%	0.85	74%	0.743	S	S	*	*			trans	-72	148.5	-161.9	-87.6	-51.6	0	0	0	115.7	R182	N180-R182 PolarHBondContact O-N 3.01Å
181	K	42.4	Very low	51.7	Low	206 Å²	206	136.2 Å²	136.2	90%	0.896	71%	0.705	S	S	*	*			trans	-70.5	102.4	179.7	-66.3	175.9	178.9	174.9	0	112.7
182	R	42.9	Very low	54.8	Low	233 Å²	233	130.5 Å²	130.5	88%	0.879	68%	0.68	S	S	*	*	S	Bend	trans	-166	138.9	146.1	-104.7	155.5	-166.4	-162.4	2.9	110.6	N180	N180-R182 PolarHBondContact O-N 3.01Å
183	S	43.1	Very low	58	Low	126 Å²	126	122.2 Å²	122.2	88%	0.881	64%	0.644	S	S	*	*			trans	61.3	144.1	-170.9	21.6	0	0	0	0	116
184	K	54.5	Low	61.2	Low	215 Å²	215	115.8 Å²	115.8	94%	0.935	60%	0.604	S	S	*	*			trans	-123.2	94.1	179.8	-68.3	-179.8	179.6	-179.8	0	110.1
185	S	57.2	Low	64.4	Low	71 Å²	71	112.5 Å²	112.5	50%	0.497	58%	0.577	S	S	.	*			trans	-178.3	148.6	161.7	-178.6	0	0	0	0	108.2	Y187	S185-Y187 WeakPolarHBondContact CB-O 3.49Å; S185-Y187 PolarHBondContact OG-N 2.86Å; S185-Y187 PolarHBondContact OG-O 3.19Å
186	V	88.1	Confident	67.4	Low	118 Å²	118	109.3 Å²	109.3	72%	0.715	56%	0.56	S	S	*	*	S	Bend	trans	-86	-30.2	166.2	-178.3	0	0	0	0	110.6	N237	V186-N237 PolarHBondContact O-ND2 3.33Å
187	Y	91.6	Very high	70.6	Confident	98 Å²	98	104 Å²	104	38%	0.384	52%	0.522	S	S	.	.	S	Bend	trans	-83.7	140.3	175.7	-60	-63.9	0	0	0	112.1	S185 E191 L192 L195 N237 F238	S185-Y187 WeakPolarHBondContact CB-O 3.49Å; S185-Y187 PolarHBondContact OG-N 2.86Å; S185-Y187 PolarHBondContact OG-O 3.19Å; Y187-E191 HydrophobicContact CD1-CB 4.28Å; Y187-L192 HydrophobicContact CD2-CD2 4.14Å; Y187-L192 HydrophobicContact CG-CD2 4.37Å; Y187-L195 HydrophobicContact CD1-CD1 4.28Å; Y187-L195 HydrophobicContact CD2-CD1 3.91Å; Y187-L195 HydrophobicContact CE1-CD1 4.28Å; Y187-L195 HydrophobicContact CE2-CD1 3.91Å; Y187-L195 HydrophobicContact CG-CD1 4.1Å; Y187-N237 HydrophobicContact CD1-CB 3.85Å; Y187-N237 HydrophobicContact CE1-CB 3.77Å; Y187-F238 AromaticContact CD1-CE2 3.75Å; Y187-F238 HydrophobicContact CD1-CE2 3.75Å; Y187-F238 HydrophobicContact CD1-CZ 4.31Å; Y187-F238 AromaticContact CE1-CE2 3.6Å; Y187-F238 HydrophobicContact CE1-CE2 3.6Å; Y187-F238 AromaticContact CE1-CZ 3.74Å; Y187-F238 HydrophobicContact CE1-CZ 3.74Å
188	T	92.2	Very high	73.6	Confident	43 Å²	43	95.9 Å²	95.9	26%	0.264	49%	0.487	S	S	.	.			trans	-66	159.5	168.8	65.2	0	0	0	0	111.4	L190 E191 L192	T188-L190 PolarHBondContact O-N 2.74Å; T188-L190 VanDerWaalsContact O-N 3.12Å; T188-E191 VanDerWaalsContact CB-OE2 3.3Å; T188-E191 WeakPolarHBondContact CB-OE2 3.37Å; T188-E191 VanDerWaalsContact CG2-OE2 3.31Å; T188-E191 WeakPolarHBondContact CG2-OE2 3.49Å; T188-E191 PolarHBondContact N-OE2 3.08Å; T188-E191 PolarHBondContact O-N 2.82Å; T188-E191 VanDerWaalsContact O-N 3.13Å; T188-E191 VanDerWaalsContact OG1-CD 3.28Å; T188-E191 VanDerWaalsContact OG1-CG 3.27Å; T188-E191 WeakPolarHBondContact OG1-CG 3.39Å; T188-E191 PolarHBondContact OG1-N 2.9Å; T188-E191 PolarHBondContact OG1-OE2 2.82Å; T188-L192 PolarHBondContact O-N 3.16Å
189	P	91.3	Very high	76.2	Confident	79 Å²	79	96 Å²	96	51%	0.513	48%	0.476	S	S	.	.	H	α-helix	trans	-61.3	-21.8	-180	-25.4	35.6	0	0	0	115.3	Q193 V283	P189-Q193 PolarHBondContact O-N 3.07Å; P189-V283 HydrophobicContact CB-CG1 3.89Å; P189-V283 HydrophobicContact CB-CG2 3.94Å
190	L	92.7	Very high	79.1	Confident	30 Å²	30	93.1 Å²	93.1	16%	0.157	47%	0.466	C	S	.	.	H	α-helix	trans	-82.6	-37.2	175.3	-177.6	61.6	0	0	0	111.9	T188 L192 Q193 Y194 F217	T188-L190 PolarHBondContact O-N 2.74Å; T188-L190 VanDerWaalsContact O-N 3.12Å; L190-L192 VanDerWaalsContact C-N 3.33Å; L190-Q193 PolarHBondContact O-N 3.48Å; L190-Y194 PolarHBondContact O-N 2.9Å; L190-F217 HydrophobicContact CD2-CZ 4Å; L190-F217 HydrophobicContact CG-CZ 4.21Å
191	E	93.4	Very high	82	Confident	7 Å²	7	87.6 Å²	87.6	3%	0.033	44%	0.435	C	S	.	.	H	α-helix	trans	-65.1	-37.7	173.4	-70.9	165.9	132.5	0	0	111.2	Y187 T188 Y194 L195 H236 N237 F238	Y187-E191 HydrophobicContact CD1-CB 4.28Å; T188-E191 VanDerWaalsContact CB-OE2 3.3Å; T188-E191 WeakPolarHBondContact CB-OE2 3.37Å; T188-E191 VanDerWaalsContact CG2-OE2 3.31Å; T188-E191 WeakPolarHBondContact CG2-OE2 3.49Å; T188-E191 PolarHBondContact N-OE2 3.08Å; T188-E191 PolarHBondContact O-N 2.82Å; T188-E191 VanDerWaalsContact O-N 3.13Å; T188-E191 VanDerWaalsContact OG1-CD 3.28Å; T188-E191 VanDerWaalsContact OG1-CG 3.27Å; T188-E191 WeakPolarHBondContact OG1-CG 3.39Å; T188-E191 PolarHBondContact OG1-N 2.9Å; T188-E191 PolarHBondContact OG1-OE2 2.82Å; E191-Y194 PolarHBondContact O-N 2.89Å; E191-L195 WeakPolarHBondContact O-CG 3.29Å; E191-L195 PolarHBondContact O-N 3.45Å; E191-H236 WeakPolarHBondContact OE1-CB 3.4Å; E191-N237 VanDerWaalsContact OE1-CB 3.27Å; E191-N237 WeakPolarHBondContact OE1-CB 3.15Å; E191-N237 PolarHBondContact OE1-N 3.04Å; E191-N237 PolarHBondContact OE1-ND2 3.25Å; E191-N237 VanDerWaalsContact OE1-ND2 3.08Å; E191-N237 PolarHBondContact OE2-ND2 2.99Å; E191-F238 HydrophobicContact CB-CD2 4.3Å; E191-F238 HydrophobicContact CB-CE2 4.02Å; E191-F238 HydrophobicContact CG-CD2 3.78Å; E191-F238 HydrophobicContact CG-CE2 4.02Å; E191-F238 WeakPolarHBondContact OE1-CD2 3.48Å
192	L	93.6	Very high	84.4	Confident	65 Å²	65	85.2 Å²	85.2	34%	0.34	42%	0.424	S	S	.	.	H	α-helix	trans	-61	-50.6	172	-68.4	174.2	0	0	0	111.6	Y187 T188 L190 Y194 L195 D196	Y187-L192 HydrophobicContact CD2-CD2 4.14Å; Y187-L192 HydrophobicContact CG-CD2 4.37Å; T188-L192 PolarHBondContact O-N 3.16Å; L190-L192 VanDerWaalsContact C-N 3.33Å; L192-Y194 VanDerWaalsContact C-N 3.27Å; L192-Y194 PolarHBondContact O-N 3.4Å; L192-L195 PolarHBondContact O-N 3.12Å; L192-L195 VanDerWaalsContact O-N 3.1Å; L192-D196 VanDerWaalsContact O-CG 3.25Å; L192-D196 PolarHBondContact O-N 3.45Å
193	Q	93	Very high	86.7	Confident	37 Å²	37	78.1 Å²	78.1	17%	0.173	40%	0.404	C	S	.	.	H	α-helix	trans	-54.9	-41.8	174.1	-79.4	-173.9	-13.7	0	0	112.5	P189 L190 M197 F284	P189-Q193 PolarHBondContact O-N 3.07Å; L190-Q193 PolarHBondContact O-N 3.48Å; Q193-M197 HydrophobicContact CB-CE 4.17Å; Q193-M197 WeakPolarHBondContact O-CE 3.36Å; Q193-M197 PolarHBondContact O-N 3.27Å; Q193-F284 PolarHBondContact NE2-O 3.38Å; Q193-F284 PolarHBondContact OE1-O 3.45Å
194	Y	94.1	Very high	89.3	Confident	11 Å²	11	72.1 Å²	72.1	4%	0.043	36%	0.362	C	S	.	.	H	α-helix	trans	-62.7	-47	175.8	166.2	-106.6	0	0	0	111.7	L190 E191 L192 D196 M197 K198 L206 V208 F217	L190-Y194 PolarHBondContact O-N 2.9Å; E191-Y194 PolarHBondContact O-N 2.89Å; L192-Y194 VanDerWaalsContact C-N 3.27Å; L192-Y194 PolarHBondContact O-N 3.4Å; Y194-D196 PolarHBondContact O-N 3.22Å; Y194-M197 PolarHBondContact O-N 3.03Å; Y194-K198 HydrophobicContact CD2-CB 4.45Å; Y194-K198 HydrophobicContact CE1-CB 4.43Å; Y194-K198 HydrophobicContact CE1-CG 4.48Å; Y194-K198 HydrophobicContact CE2-CB 4.03Å; Y194-K198 HydrophobicContact CE2-CD 4.18Å; Y194-K198 HydrophobicContact CE2-CG 4.2Å; Y194-K198 WeakPolarHBondContact O-CB 3.4Å; Y194-K198 PolarHBondContact O-N 3.35Å; Y194-L206 HydrophobicContact CD2-CD1 4.24Å; Y194-L206 HydrophobicContact CE2-CB 4.25Å; Y194-L206 HydrophobicContact CE2-CD1 4.04Å; Y194-V208 HydrophobicContact CD2-CG2 4.21Å; Y194-F217 HydrophobicContact CD1-CB 3.77Å; Y194-F217 HydrophobicContact CD1-CD2 4.34Å; Y194-F217 HydrophobicContact CD1-CG 4.29Å; Y194-F217 HydrophobicContact CD2-CB 4.21Å; Y194-F217 AromaticContact CD2-CD2 3.79Å; Y194-F217 HydrophobicContact CD2-CD2 3.79Å; Y194-F217 HydrophobicContact CD2-CG 4.42Å; Y194-F217 HydrophobicContact CE1-CB 3.64Å; Y194-F217 HydrophobicContact CE2-CB 4.09Å; Y194-F217 HydrophobicContact CE2-CD2 4.34Å; Y194-F217 HydrophobicContact CG-CB 4.06Å; Y194-F217 AromaticContact CG-CD2 3.79Å; Y194-F217 HydrophobicContact CG-CD2 3.79Å; Y194-F217 HydrophobicContact CG-CG 4.2Å; Y194-F217 PolarHBondContact OH-O 3.25Å
195	L	93.5	Very high	91.3	Very high	41 Å²	41	62 Å²	62	22%	0.215	32%	0.319	C	S	.	.	H	α-helix	trans	-60.9	-43.9	178.9	-75.1	168.1	0	0	0	112.2	Y187 E191 L192 M197 K198 Q199 F238	Y187-L195 HydrophobicContact CD1-CD1 4.28Å; Y187-L195 HydrophobicContact CD2-CD1 3.91Å; Y187-L195 HydrophobicContact CE1-CD1 4.28Å; Y187-L195 HydrophobicContact CE2-CD1 3.91Å; Y187-L195 HydrophobicContact CG-CD1 4.1Å; E191-L195 WeakPolarHBondContact O-CG 3.29Å; E191-L195 PolarHBondContact O-N 3.45Å; L192-L195 PolarHBondContact O-N 3.12Å; L192-L195 VanDerWaalsContact O-N 3.1Å; L195-M197 VanDerWaalsContact C-N 3.33Å; L195-M197 PolarHBondContact O-N 2.95Å; L195-K198 PolarHBondContact O-N 2.81Å; L195-Q199 WeakPolarHBondContact O-CB 3.39Å; L195-Q199 VanDerWaalsContact O-CG 3.3Å; L195-Q199 WeakPolarHBondContact O-CG 3.27Å; L195-Q199 PolarHBondContact O-N 3.45Å; L195-F238 HydrophobicContact CD1-CZ 4.28Å; L195-F238 HydrophobicContact CD2-CZ 4.04Å; L195-F238 HydrophobicContact CG-CZ 4.29Å
196	D	93.6	Very high	93.2	Very high	91 Å²	91	58.7 Å²	58.7	49%	0.487	30%	0.295	S	S	.	.	H	α-helix	trans	-60.2	-42.5	179.2	-63.7	-26.3	0	0	0	111.7	L192 Y194	L192-D196 VanDerWaalsContact O-CG 3.25Å; L192-D196 PolarHBondContact O-N 3.45Å; Y194-D196 PolarHBondContact O-N 3.22Å
197	M	93.3	Very high	93.7	Very high	25 Å²	25	53.1 Å²	53.1	12%	0.123	26%	0.261	C	S	.	.	H	α-helix	trans	-74.9	-39.4	176.6	-70.3	-178.2	-78.9	0	0	112.6	Q193 Y194 L195 Q199 Q200 H201 L206 V265 R286	Q193-M197 HydrophobicContact CB-CE 4.17Å; Q193-M197 WeakPolarHBondContact O-CE 3.36Å; Q193-M197 PolarHBondContact O-N 3.27Å; Y194-M197 PolarHBondContact O-N 3.03Å; L195-M197 VanDerWaalsContact C-N 3.33Å; L195-M197 PolarHBondContact O-N 2.95Å; M197-Q199 VanDerWaalsContact C-N 3.31Å; M197-Q199 PolarHBondContact O-N 3.49Å; M197-Q200 PolarHBondContact O-N 3Å; M197-H201 PolarHBondContact O-N 2.74Å; M197-L206 HydrophobicContact CB-CD1 4.33Å; M197-V265 HydrophobicContact CE-CG1 3.75Å; M197-V265 HydrophobicContact SD-CG1 3.56Å; M197-V265 VanDerWaalsContact SD-CG1 3.56Å; M197-V265 HydrophobicContact SD-CG2 4.08Å; M197-R286 HydrophobicContact CE-CB 4.09Å; M197-R286 HydrophobicContact SD-CB 4.44Å
198	K	94.3	Very high	93.9	Very high	27 Å²	27	48.4 Å²	48.4	12%	0.117	24%	0.243	C	C	.	.	H	α-helix	trans	-68.2	-29.5	179.8	-171.9	65	172.3	-167.7	0	112.2	Y194 L195 Q200 H201 K202 A204 L206 D220	Y194-K198 HydrophobicContact CD2-CB 4.45Å; Y194-K198 HydrophobicContact CE1-CB 4.43Å; Y194-K198 HydrophobicContact CE1-CG 4.48Å; Y194-K198 HydrophobicContact CE2-CB 4.03Å; Y194-K198 HydrophobicContact CE2-CD 4.18Å; Y194-K198 HydrophobicContact CE2-CG 4.2Å; Y194-K198 WeakPolarHBondContact O-CB 3.4Å; Y194-K198 PolarHBondContact O-N 3.35Å; L195-K198 PolarHBondContact O-N 2.81Å; K198-Q200 PolarHBondContact O-N 3.36Å; K198-H201 CarbonylContact O-C 3.58Å; K198-H201 PolarHBondContact O-N 2.8Å; K198-K202 WeakPolarHBondContact O-CA 3.2Å; K198-K202 WeakPolarHBondContact O-CG 3.34Å; K198-K202 PolarHBondContact O-N 2.74Å; K198-K202 VanDerWaalsContact O-N 3.12Å; K198-A204 PolarHBondContact NZ-O 2.9Å; K198-L206 HydrophobicContact CB-CD1 4.06Å; K198-L206 HydrophobicContact CD-CD1 3.93Å; K198-L206 HydrophobicContact CD-CG 4.19Å; K198-D220 IonicContact NZ-OD1 3.15Å; K198-D220 PolarHBondContact NZ-OD1 3.14Å; K198-D220 IonicContact NZ-OD2 2.67Å; K198-D220 PolarHBondContact NZ-OD2 3.4Å
199	Q	93.3	Very high	94.1	Very high	128 Å²	128	48.3 Å²	48.3	60%	0.598	24%	0.239	S	C	*	.	H	α-helix	trans	-62.7	-31.4	172.5	-79	178.9	48	0	0	113.1	L195 M197 K202	L195-Q199 WeakPolarHBondContact O-CB 3.39Å; L195-Q199 VanDerWaalsContact O-CG 3.3Å; L195-Q199 WeakPolarHBondContact O-CG 3.27Å; L195-Q199 PolarHBondContact O-N 3.45Å; M197-Q199 VanDerWaalsContact C-N 3.31Å; M197-Q199 PolarHBondContact O-N 3.49Å; Q199-K202 VanDerWaalsContact O-CE 3.3Å; Q199-K202 WeakPolarHBondContact O-CE 3.25Å
200	Q	91.5	Very high	94.3	Very high	145 Å²	145	46.3 Å²	46.3	68%	0.678	23%	0.227	S	C	*	.	H	α-helix	trans	-82.1	-32.6	178.6	-60.5	173.3	18	0	0	112	M197 K198	M197-Q200 PolarHBondContact O-N 3Å; K198-Q200 PolarHBondContact O-N 3.36Å
201	H	92.1	Very high	94.2	Very high	44 Å²	44	46.8 Å²	46.8	20%	0.204	24%	0.239	C	C	.	.			trans	-128.5	60.9	-175.8	-56.6	-74.8	0	0	0	111.7	M197 K198 D203 A204 L288	M197-H201 PolarHBondContact O-N 2.74Å; K198-H201 CarbonylContact O-C 3.58Å; K198-H201 PolarHBondContact O-N 2.8Å; H201-D203 PolarHBondContact O-N 2.86Å; H201-A204 HydrophobicContact CB-CB 4.13Å; H201-A204 PolarHBondContact O-N 2.65Å; H201-L288 VanDerWaalsContact NE2-CD2 3.35Å; H201-L288 WeakPolarHBondContact NE2-CD2 3.5Å
202	K	92.5	Very high	94.1	Very high	155 Å²	155	54.9 Å²	54.9	67%	0.674	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-31.7	-174.5	-64.9	179.3	-177	178.8	0	113	K198 Q199	K198-K202 WeakPolarHBondContact O-CA 3.2Å; K198-K202 WeakPolarHBondContact O-CG 3.34Å; K198-K202 PolarHBondContact O-N 2.74Å; K198-K202 VanDerWaalsContact O-N 3.12Å; Q199-K202 VanDerWaalsContact O-CE 3.3Å; Q199-K202 WeakPolarHBondContact O-CE 3.25Å
203	D	92.9	Very high	94.2	Very high	84 Å²	84	54.4 Å²	54.4	45%	0.449	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-11.3	-178.2	66.3	-53	0	0	0	114.3	H201 K261	H201-D203 PolarHBondContact O-N 2.86Å; D203-K261 VanDerWaalsContact OD2-CD 3.28Å; D203-K261 WeakPolarHBondContact OD2-CD 3.2Å; D203-K261 WeakPolarHBondContact OD2-CE 3.49Å; D203-K261 IonicContact OD2-NZ 2.81Å; D203-K261 PolarHBondContact OD2-NZ 3.42Å
204	A	95.8	Very high	94.4	Very high	1 Å²	1	53 Å²	53	1%	0.008	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	136.1	179.5	0	0	0	0	0	111.8	K198 H201 L206 K261 L291	K198-A204 PolarHBondContact NZ-O 2.9Å; H201-A204 HydrophobicContact CB-CB 4.13Å; H201-A204 PolarHBondContact O-N 2.65Å; A204-L206 HydrophobicContact CB-CD2 4.22Å; A204-K261 CarbonylContact C-O 3.52Å; A204-K261 WeakPolarHBondContact CA-O 3.21Å; A204-K261 HydrophobicContact CB-CB 4.38Å; A204-K261 HydrophobicContact CB-CD 4.17Å; A204-K261 HydrophobicContact CB-CG 4.05Å; A204-L291 HydrophobicContact CB-CD2 4Å
205	V	97.4	Very high	94.6	Very high	3 Å²	3	54.5 Å²	54.5	2%	0.018	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	119.1	170.8	-179.4	0	0	0	0	108.7	F216 D220 I223 L255 Y260 K261 V262 G263	V205-F216 HydrophobicContact CG1-CD1 4.07Å; V205-F216 HydrophobicContact CG1-CE1 4.12Å; V205-D220 HydrophobicContact CG1-CB 3.95Å; V205-I223 HydrophobicContact CG2-CD1 4.3Å; V205-I223 HydrophobicContact CG2-CG2 4.32Å; V205-L255 HydrophobicContact CG1-CD1 4.11Å; V205-Y260 HydrophobicContact CG2-CD1 3.88Å; V205-Y260 HydrophobicContact CG2-CG 4.21Å; V205-K261 PolarHBondContact N-O 3.28Å; V205-V262 WeakPolarHBondContact O-CA 3.42Å; V205-G263 PolarHBondContact O-N 3.02Å
206	L	97.5	Very high	94.8	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	116.6	-171.4	-59.3	-173.6	0	0	0	113.2	Y194 M197 K198 A204 V208 F216 D220	Y194-L206 HydrophobicContact CD2-CD1 4.24Å; Y194-L206 HydrophobicContact CE2-CB 4.25Å; Y194-L206 HydrophobicContact CE2-CD1 4.04Å; M197-L206 HydrophobicContact CB-CD1 4.33Å; K198-L206 HydrophobicContact CB-CD1 4.06Å; K198-L206 HydrophobicContact CD-CD1 3.93Å; K198-L206 HydrophobicContact CD-CG 4.19Å; A204-L206 HydrophobicContact CB-CD2 4.22Å; L206-V208 HydrophobicContact CB-CG2 4.21Å; L206-F216 WeakPolarHBondContact O-CD1 3.36Å; L206-D220 PolarHBondContact N-OD2 2.91Å
207	C	97.2	Very high	94.9	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	100.6	166.4	-67	0	0	0	0	109.3	Y214 F216 L248 G263 V265	C207-Y214 HydrophobicContact CB-CD1 3.88Å; C207-Y214 HydrophobicContact CB-CG 4.3Å; C207-Y214 WeakPolarHBondContact O-CD1 3.4Å; C207-F216 HydrophobicContact CB-CE1 4.47Å; C207-F216 WeakPolarHBondContact SG-CE1 3.44Å; C207-L248 HydrophobicContact CB-CD1 4.2Å; C207-G263 PolarHBondContact N-O 3.41Å; C207-V265 PolarHBondContact O-N 3.13Å
208	V	97.3	Very high	95	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	115.8	-175.9	-174.5	0	0	0	0	112.3	Y194 L206 C210 Y214 R215 F217 V265	Y194-V208 HydrophobicContact CD2-CG2 4.21Å; L206-V208 HydrophobicContact CB-CG2 4.21Å; V208-C210 PolarHBondContact O-N 3.26Å; V208-Y214 CarbonylContact O-C 3.57Å; V208-Y214 WeakPolarHBondContact O-CA 3.46Å; V208-R215 PolarHBondContact N-O 3.39Å; V208-R215 PolarHBondContact O-N 2.97Å; V208-F217 HydrophobicContact CB-CE2 4.03Å; V208-F217 HydrophobicContact CG1-CE2 4.33Å; V208-F217 HydrophobicContact CG2-CD2 4.29Å; V208-F217 HydrophobicContact CG2-CE2 4.16Å; V208-V265 HydrophobicContact CG1-CG1 4.24Å; V208-V265 HydrophobicContact CG2-CB 4.44Å
209	E	96.6	Very high	95.1	Very high	40 Å²	40	53.6 Å²	53.6	19%	0.187	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	126.4	-179.4	-170.4	173.5	-134.2	0	0	112.3	Y214 V265 K266 Q267 R286	E209-Y214 HydrophobicContact CB-CD1 4.02Å; E209-Y214 HydrophobicContact CB-CE1 3.68Å; E209-Y214 HydrophobicContact CG-CE1 4.32Å; E209-V265 VanDerWaalsContact CB-O 3.26Å; E209-V265 WeakPolarHBondContact CB-O 3.35Å; E209-V265 PolarHBondContact N-O 2.9Å; E209-K266 WeakPolarHBondContact OE2-CA 3.48Å; E209-Q267 HydrophobicContact CB-CG 4.28Å; E209-Q267 HydrophobicContact CG-CG 4.19Å; E209-Q267 PolarHBondContact OE2-N 3.32Å; E209-R286 VanDerWaalsContact O-CZ 3.27Å; E209-R286 PolarHBondContact O-NE 2.99Å; E209-R286 PolarHBondContact O-NH2 2.84Å
210	C	93.9	Very high	95.2	Very high	37 Å²	37	47.7 Å²	47.7	25%	0.25	23%	0.232	C	C	.	.			trans	-139.3	68.4	-173.3	-172.6	0	0	0	0	109.8	V208 K213 R215	V208-C210 PolarHBondContact O-N 3.26Å; C210-K213 CarbonylContact C-O 3.58Å; C210-K213 WeakPolarHBondContact CA-O 3.46Å; C210-K213 PolarHBondContact N-O 3.47Å; C210-R215 HydrophobicContact CB-CG 3.91Å
211	G	91.9	Very high	95.5	Very high	41 Å²	41	40.8 Å²	40.8	42%	0.423	20%	0.2	S	C	.	.	S	Bend	trans	70.6	-134.3	-169.2	0	0	0	0	0	111.2	K213	G211-K213 PolarHBondContact O-N 3.42Å
212	Y	91.8	Very high	95.7	Very high	177 Å²	177	43.5 Å²	43.5	69%	0.694	21%	0.212	S	C	*	.	S	Bend	trans	-69.8	8.4	-175.5	64.8	-96	0	0	0	115.6	T245	Y212-T245 PolarHBondContact O-N 2.92Å; Y212-T245 VanDerWaalsContact O-N 3.08Å; Y212-T245 PolarHBondContact O-OG1 3.27Å
213	K	95.7	Very high	95.9	Very high	55 Å²	55	37.4 Å²	37.4	24%	0.239	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	149.2	-175.8	59.4	-179.4	-176.6	174.3	0	112.7	C210 G211 I243	C210-K213 CarbonylContact C-O 3.58Å; C210-K213 WeakPolarHBondContact CA-O 3.46Å; C210-K213 PolarHBondContact N-O 3.47Å; G211-K213 PolarHBondContact O-N 3.42Å; K213-I243 CarbonylContact C-O 3.44Å; K213-I243 VanDerWaalsContact CA-O 3.25Å; K213-I243 WeakPolarHBondContact CA-O 3.44Å; K213-I243 VanDerWaalsContact CB-O 3.24Å; K213-I243 WeakPolarHBondContact CB-O 3.49Å
214	Y	97.3	Very high	96	Very high	6 Å²	6	33.4 Å²	33.4	2%	0.024	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	141.1	165.1	-68.6	-85.5	0	0	0	110	C207 V208 E209 S242 I243 T245 L248 V264 K266	C207-Y214 HydrophobicContact CB-CD1 3.88Å; C207-Y214 HydrophobicContact CB-CG 4.3Å; C207-Y214 WeakPolarHBondContact O-CD1 3.4Å; V208-Y214 CarbonylContact O-C 3.57Å; V208-Y214 WeakPolarHBondContact O-CA 3.46Å; E209-Y214 HydrophobicContact CB-CD1 4.02Å; E209-Y214 HydrophobicContact CB-CE1 3.68Å; E209-Y214 HydrophobicContact CG-CE1 4.32Å; Y214-S242 CarbonylContact O-C 3.5Å; Y214-S242 WeakPolarHBondContact O-CA 3.38Å; Y214-S242 VanDerWaalsContact O-CB 3.25Å; Y214-S242 WeakPolarHBondContact O-CB 3.22Å; Y214-I243 PolarHBondContact N-O 3.48Å; Y214-I243 PolarHBondContact O-N 3.26Å; Y214-T245 HydrophobicContact CD2-CG2 4.01Å; Y214-T245 HydrophobicContact CE2-CG2 3.72Å; Y214-L248 HydrophobicContact CD1-CD1 4.48Å; Y214-L248 HydrophobicContact CD2-CB 4.31Å; Y214-L248 HydrophobicContact CD2-CD1 3.85Å; Y214-L248 HydrophobicContact CE1-CD1 4.41Å; Y214-L248 HydrophobicContact CE2-CB 3.96Å; Y214-L248 HydrophobicContact CE2-CD1 3.78Å; Y214-L248 HydrophobicContact CE2-CD2 3.86Å; Y214-L248 HydrophobicContact CE2-CG 4.08Å; Y214-L248 HydrophobicContact CG-CD1 4.22Å; Y214-V264 HydrophobicContact CE1-CG1 4.04Å; Y214-K266 WeakPolarHBondContact OH-CE 3.39Å
215	R	96.9	Very high	96.1	Very high	44 Å²	44	34.2 Å²	34.2	17%	0.166	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	150	170.8	-60.6	-173	76.3	162.9	4.5	110.1	V208 C210 F217 D235 T240 A241	V208-R215 PolarHBondContact N-O 3.39Å; V208-R215 PolarHBondContact O-N 2.97Å; C210-R215 HydrophobicContact CB-CG 3.91Å; R215-F217 HydrophobicContact CB-CE1 4.4Å; R215-F217 HydrophobicContact CB-CE2 3.98Å; R215-F217 HydrophobicContact CB-CZ 3.8Å; R215-D235 IonicContact CZ-OD2 2.69Å; R215-D235 IonicContact NH1-OD2 2.94Å; R215-D235 IonicContact NH2-OD2 3.22Å; R215-D235 PolarHBondContact NH2-OD2 3.19Å; R215-T240 VanDerWaalsContact NE-CG2 3.34Å; R215-A241 WeakPolarHBondContact CA-O 3.44Å
216	F	97.5	Very high	96	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	150.1	168.7	-57.1	-88	0	0	0	108.5	V205 L206 C207 D220 A221 A224 L228 T240 A241 I243 L255	V205-F216 HydrophobicContact CG1-CD1 4.07Å; V205-F216 HydrophobicContact CG1-CE1 4.12Å; L206-F216 WeakPolarHBondContact O-CD1 3.36Å; C207-F216 HydrophobicContact CB-CE1 4.47Å; C207-F216 WeakPolarHBondContact SG-CE1 3.44Å; F216-D220 HydrophobicContact CB-CB 4.29Å; F216-D220 HydrophobicContact CD1-CB 4.49Å; F216-A221 HydrophobicContact CB-CB 4.05Å; F216-A224 HydrophobicContact CB-CB 4.27Å; F216-A224 HydrophobicContact CD1-CB 4.05Å; F216-A224 HydrophobicContact CD2-CB 3.71Å; F216-A224 HydrophobicContact CE1-CB 4.27Å; F216-A224 HydrophobicContact CE2-CB 3.97Å; F216-A224 HydrophobicContact CG-CB 3.75Å; F216-A224 HydrophobicContact CZ-CB 4.24Å; F216-L228 HydrophobicContact CE2-CD1 4.3Å; F216-L228 HydrophobicContact CZ-CD1 4.17Å; F216-T240 WeakPolarHBondContact O-CA 3.48Å; F216-T240 WeakPolarHBondContact O-CG2 3.28Å; F216-A241 HydrophobicContact CD2-CB 4.27Å; F216-A241 PolarHBondContact N-O 3.48Å; F216-A241 PolarHBondContact O-N 2.98Å; F216-I243 HydrophobicContact CE2-CD1 4.05Å; F216-I243 HydrophobicContact CE2-CG1 4.07Å; F216-I243 HydrophobicContact CE2-CG2 4.3Å; F216-I243 HydrophobicContact CZ-CD1 4.02Å; F216-I243 HydrophobicContact CZ-CG1 4.5Å; F216-L255 HydrophobicContact CE1-CD1 4.28Å
217	F	96.7	Very high	95.9	Very high	7 Å²	7	42.4 Å²	42.4	3%	0.031	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	141.6	-175.9	-59.8	-79	0	0	0	112.5	L190 Y194 V208 R215 D220 F238 M239 T240	L190-F217 HydrophobicContact CD2-CZ 4Å; L190-F217 HydrophobicContact CG-CZ 4.21Å; Y194-F217 HydrophobicContact CD1-CB 3.77Å; Y194-F217 HydrophobicContact CD1-CD2 4.34Å; Y194-F217 HydrophobicContact CD1-CG 4.29Å; Y194-F217 HydrophobicContact CD2-CB 4.21Å; Y194-F217 AromaticContact CD2-CD2 3.79Å; Y194-F217 HydrophobicContact CD2-CD2 3.79Å; Y194-F217 HydrophobicContact CD2-CG 4.42Å; Y194-F217 HydrophobicContact CE1-CB 3.64Å; Y194-F217 HydrophobicContact CE2-CB 4.09Å; Y194-F217 HydrophobicContact CE2-CD2 4.34Å; Y194-F217 HydrophobicContact CG-CB 4.06Å; Y194-F217 AromaticContact CG-CD2 3.79Å; Y194-F217 HydrophobicContact CG-CD2 3.79Å; Y194-F217 HydrophobicContact CG-CG 4.2Å; Y194-F217 PolarHBondContact OH-O 3.25Å; V208-F217 HydrophobicContact CB-CE2 4.03Å; V208-F217 HydrophobicContact CG1-CE2 4.33Å; V208-F217 HydrophobicContact CG2-CD2 4.29Å; V208-F217 HydrophobicContact CG2-CE2 4.16Å; R215-F217 HydrophobicContact CB-CE1 4.4Å; R215-F217 HydrophobicContact CB-CE2 3.98Å; R215-F217 HydrophobicContact CB-CZ 3.8Å; F217-D220 WeakPolarHBondContact O-CB 3.42Å; F217-D220 PolarHBondContact O-N 3.41Å; F217-F238 HydrophobicContact CB-CB 4.36Å; F217-M239 CarbonylContact C-O 3.58Å; F217-M239 WeakPolarHBondContact CA-O 3.49Å; F217-T240 HydrophobicContact CD1-CG2 4.31Å; F217-T240 HydrophobicContact CE1-CG2 4.26Å
218	G	95.6	Very high	95.8	Very high	12 Å²	12	42.6 Å²	42.6	12%	0.124	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	-133.8	179.8	0	0	0	0	0	112.2	D220 A221 E222 M239	G218-D220 PolarHBondContact O-N 2.86Å; G218-A221 WeakPolarHBondContact O-CA 3.44Å; G218-A221 WeakPolarHBondContact O-CB 3.44Å; G218-A221 PolarHBondContact O-N 3.28Å; G218-E222 PolarHBondContact O-N 3.01Å; G218-M239 PolarHBondContact N-O 2.91Å
219	E	95.3	Very high	95.7	Very high	146 Å²	146	49 Å²	49	68%	0.682	24%	0.24	S	C	*	.	H	α-helix	trans	-52.2	-36.7	177.1	-62.5	174.8	-170.4	0	0	112.7	A221 E222 I223	E219-A221 PolarHBondContact O-N 2.85Å; E219-E222 PolarHBondContact O-N 3.09Å; E219-E222 VanDerWaalsContact O-N 3.12Å; E219-I223 WeakPolarHBondContact O-CG1 3.22Å; E219-I223 PolarHBondContact O-N 3.07Å
220	D	96.7	Very high	95.7	Very high	3 Å²	3	49 Å²	49	2%	0.016	24%	0.241	C	C	.	.	H	α-helix	trans	-63.1	-32.3	177.7	-69.8	-11.8	0	0	0	111.7	K198 V205 L206 F216 F217 G218 A224	K198-D220 IonicContact NZ-OD1 3.15Å; K198-D220 PolarHBondContact NZ-OD1 3.14Å; K198-D220 IonicContact NZ-OD2 2.67Å; K198-D220 PolarHBondContact NZ-OD2 3.4Å; V205-D220 HydrophobicContact CG1-CB 3.95Å; L206-D220 PolarHBondContact N-OD2 2.91Å; F216-D220 HydrophobicContact CB-CB 4.29Å; F216-D220 HydrophobicContact CD1-CB 4.49Å; F217-D220 WeakPolarHBondContact O-CB 3.42Å; F217-D220 PolarHBondContact O-N 3.41Å; G218-D220 PolarHBondContact O-N 2.86Å; D220-A224 WeakPolarHBondContact O-CB 3.28Å; D220-A224 PolarHBondContact O-N 2.86Å
221	A	96.8	Very high	95.8	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-74.9	-31.4	176	0	0	0	0	0	112.7	F216 G218 E219 A225 C232 M239 A241	F216-A221 HydrophobicContact CB-CB 4.05Å; G218-A221 WeakPolarHBondContact O-CA 3.44Å; G218-A221 WeakPolarHBondContact O-CB 3.44Å; G218-A221 PolarHBondContact O-N 3.28Å; E219-A221 PolarHBondContact O-N 2.85Å; A221-A225 VanDerWaalsContact O-CB 3.27Å; A221-A225 WeakPolarHBondContact O-CB 3.21Å; A221-A225 PolarHBondContact O-N 3.38Å; A221-C232 HydrophobicContact CB-CB 4.23Å; A221-M239 HydrophobicContact CB-CB 4.32Å; A221-M239 WeakPolarHBondContact CB-O 3.46Å; A221-A241 HydrophobicContact CB-CB 4.17Å
222	E	96.7	Very high	96	Very high	101 Å²	101	57.5 Å²	57.5	47%	0.472	26%	0.262	S	S	.	.	H	α-helix	trans	-74.9	-41.8	176.1	-64.3	-179.1	-162.7	0	0	111.6	G218 E219 A225 R226 M239	G218-E222 PolarHBondContact O-N 3.01Å; E219-E222 PolarHBondContact O-N 3.09Å; E219-E222 VanDerWaalsContact O-N 3.12Å; E222-A225 PolarHBondContact O-N 3.02Å; E222-R226 WeakPolarHBondContact O-CB 3.31Å; E222-R226 PolarHBondContact O-N 3.32Å; E222-M239 HydrophobicContact CG-CB 4.25Å; E222-M239 HydrophobicContact CG-CG 4.36Å; E222-M239 WeakPolarHBondContact OE1-CG 3.49Å
223	I	96.3	Very high	96.1	Very high	27 Å²	27	54.3 Å²	54.3	14%	0.138	25%	0.253	C	S	.	.	H	α-helix	trans	-60.2	-49.2	169.7	-65.9	164.8	0	0	0	109.6	V205 E219 A225 R226 E227 L255 Y260	V205-I223 HydrophobicContact CG2-CD1 4.3Å; V205-I223 HydrophobicContact CG2-CG2 4.32Å; E219-I223 WeakPolarHBondContact O-CG1 3.22Å; E219-I223 PolarHBondContact O-N 3.07Å; I223-A225 VanDerWaalsContact C-N 3.33Å; I223-A225 PolarHBondContact O-N 3.32Å; I223-R226 PolarHBondContact O-N 3.13Å; I223-E227 HydrophobicContact CG2-CG 4.21Å; I223-E227 WeakPolarHBondContact O-CB 3.2Å; I223-E227 WeakPolarHBondContact O-CG 3.45Å; I223-E227 PolarHBondContact O-N 3.34Å; I223-L255 HydrophobicContact CG2-CD2 4.02Å; I223-Y260 HydrophobicContact CD1-CE1 4.04Å; I223-Y260 HydrophobicContact CG1-CE1 4.48Å; I223-Y260 HydrophobicContact CG2-CD1 4.34Å; I223-Y260 HydrophobicContact CG2-CD2 4.32Å; I223-Y260 HydrophobicContact CG2-CE1 3.91Å; I223-Y260 HydrophobicContact CG2-CE2 3.88Å
224	A	96.2	Very high	96.1	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-58.3	-44	176.7	0	0	0	0	0	111.7	F216 D220 L228 I230 A241	F216-A224 HydrophobicContact CB-CB 4.27Å; F216-A224 HydrophobicContact CD1-CB 4.05Å; F216-A224 HydrophobicContact CD2-CB 3.71Å; F216-A224 HydrophobicContact CE1-CB 4.27Å; F216-A224 HydrophobicContact CE2-CB 3.97Å; F216-A224 HydrophobicContact CG-CB 3.75Å; F216-A224 HydrophobicContact CZ-CB 4.24Å; D220-A224 WeakPolarHBondContact O-CB 3.28Å; D220-A224 PolarHBondContact O-N 2.86Å; A224-L228 HydrophobicContact CB-CD1 4.03Å; A224-L228 WeakPolarHBondContact O-CA 3.36Å; A224-L228 WeakPolarHBondContact O-CB 3.48Å; A224-L228 WeakPolarHBondContact O-CG 3.12Å; A224-L228 PolarHBondContact O-N 3.24Å; A224-I230 HydrophobicContact CB-CD1 4.22Å; A224-A241 HydrophobicContact CB-CB 4.46Å
225	A	96.6	Very high	95.9	Very high	18 Å²	18	59.3 Å²	59.3	15%	0.149	28%	0.282	C	S	.	.	H	α-helix	trans	-59.8	-49.9	177.3	0	0	0	0	0	112.5	A221 E222 I223 N229 I230 C232	A221-A225 VanDerWaalsContact O-CB 3.27Å; A221-A225 WeakPolarHBondContact O-CB 3.21Å; A221-A225 PolarHBondContact O-N 3.38Å; E222-A225 PolarHBondContact O-N 3.02Å; I223-A225 VanDerWaalsContact C-N 3.33Å; I223-A225 PolarHBondContact O-N 3.32Å; A225-N229 WeakPolarHBondContact O-CA 3.42Å; A225-N229 PolarHBondContact O-N 2.95Å; A225-N229 VanDerWaalsContact O-N 3.11Å; A225-I230 WeakPolarHBondContact CA-O 3.26Å; A225-I230 WeakPolarHBondContact CB-O 2.9Å; A225-I230 PolarHBondContact O-N 3.05Å; A225-C232 HydrophobicContact CB-CB 3.88Å; A225-C232 WeakPolarHBondContact CB-SG 3.15Å
226	R	96.1	Very high	95.7	Very high	141 Å²	141	63.6 Å²	63.6	53%	0.532	30%	0.303	S	S	.	.	H	α-helix	trans	-67.2	-45.3	-177.3	-170.4	-179.3	69.5	-126.2	-8.1	113.3	E222 I223 Y260	E222-R226 WeakPolarHBondContact O-CB 3.31Å; E222-R226 PolarHBondContact O-N 3.32Å; I223-R226 PolarHBondContact O-N 3.13Å; R226-Y260 PolarHBondContact NH2-OH 3.32Å
227	E	94.7	Very high	95.5	Very high	36 Å²	36	66.5 Å²	66.5	17%	0.168	32%	0.319	C	S	.	.	H	α-helix	trans	-89.5	-26.5	-173.5	-55	-55.4	148	0	0	113.2	I223 R254 L255 K258 Y260	I223-E227 HydrophobicContact CG2-CG 4.21Å; I223-E227 WeakPolarHBondContact O-CB 3.2Å; I223-E227 WeakPolarHBondContact O-CG 3.45Å; I223-E227 PolarHBondContact O-N 3.34Å; E227-R254 PolarHBondContact O-NH2 2.91Å; E227-L255 HydrophobicContact CB-CD2 4.05Å; E227-L255 HydrophobicContact CG-CD2 4.47Å; E227-K258 WeakPolarHBondContact OE2-CE 3.36Å; E227-Y260 HydrophobicContact CG-CE2 4Å
228	L	94.8	Very high	95.4	Very high	4 Å²	4	67.9 Å²	67.9	2%	0.021	33%	0.325	C	S	.	.	H	α-helix	trans	-95.6	-12.3	180	-52.4	176.1	0	0	0	113.8	F216 A224 I230 H251 R254 L255	F216-L228 HydrophobicContact CE2-CD1 4.3Å; F216-L228 HydrophobicContact CZ-CD1 4.17Å; A224-L228 HydrophobicContact CB-CD1 4.03Å; A224-L228 WeakPolarHBondContact O-CA 3.36Å; A224-L228 WeakPolarHBondContact O-CB 3.48Å; A224-L228 WeakPolarHBondContact O-CG 3.12Å; A224-L228 PolarHBondContact O-N 3.24Å; L228-I230 HydrophobicContact CB-CD1 4.28Å; L228-I230 HydrophobicContact CB-CG1 4.24Å; L228-I230 HydrophobicContact CB-CG2 4.22Å; L228-I230 HydrophobicContact CD1-CD1 4.13Å; L228-H251 HydrophobicContact CD1-CB 3.87Å; L228-H251 HydrophobicContact CD2-CB 4.05Å; L228-R254 VanDerWaalsContact CA-NH2 3.3Å; L228-R254 HydrophobicContact CD2-CB 3.74Å; L228-R254 PolarHBondContact O-NH1 3.42Å; L228-R254 PolarHBondContact O-NH2 3.02Å; L228-R254 VanDerWaalsContact O-NH2 3.14Å; L228-L255 HydrophobicContact CD1-CD1 4.42Å; L228-L255 HydrophobicContact CD2-CD2 4.43Å; L228-L255 HydrophobicContact CD2-CG 4.09Å; L228-L255 HydrophobicContact CG-CD2 4.49Å; L228-L255 HydrophobicContact CG-CG 4.48Å
229	N	95.5	Very high	95.5	Very high	134 Å²	134	69.8 Å²	69.8	72%	0.717	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	54.1	-171.5	-53.2	-31.6	0	0	0	111.9	A225	A225-N229 WeakPolarHBondContact O-CA 3.42Å; A225-N229 PolarHBondContact O-N 2.95Å; A225-N229 VanDerWaalsContact O-N 3.11Å
230	I	96.4	Very high	95.6	Very high	41 Å²	41	63 Å²	63	21%	0.21	30%	0.3	C	S	.	.			trans	-126.6	158.7	178	65.6	179.8	0	0	0	110.6	A224 A225 L228 A241 I243	A224-I230 HydrophobicContact CB-CD1 4.22Å; A225-I230 WeakPolarHBondContact CA-O 3.26Å; A225-I230 WeakPolarHBondContact CB-O 2.9Å; A225-I230 PolarHBondContact O-N 3.05Å; L228-I230 HydrophobicContact CB-CD1 4.28Å; L228-I230 HydrophobicContact CB-CG1 4.24Å; L228-I230 HydrophobicContact CB-CG2 4.22Å; L228-I230 HydrophobicContact CD1-CD1 4.13Å; I230-A241 HydrophobicContact CD1-CB 3.81Å; I230-A241 HydrophobicContact CG1-CB 4.2Å; I230-I243 HydrophobicContact CD1-CG2 3.98Å
231	Y	95.8	Very high	95.6	Very high	218 Å²	218	63 Å²	63	86%	0.855	30%	0.3	S	S	*	.			trans	-79.1	129.9	177.7	-63	-82.2	0	0	0	111.3
232	C	96.3	Very high	95.6	Very high	38 Å²	38	65.4 Å²	65.4	26%	0.257	32%	0.317	S	S	.	.			trans	-104.4	150.9	158.5	62.1	0	0	0	0	110.4	A221 A225 M239 T240 A241	A221-C232 HydrophobicContact CB-CB 4.23Å; A225-C232 HydrophobicContact CB-CB 3.88Å; A225-C232 WeakPolarHBondContact CB-SG 3.15Å; C232-M239 HydrophobicContact CB-CE 4.05Å; C232-M239 VanDerWaalsContact SG-CE 3.51Å; C232-T240 VanDerWaalsContact CA-O 3.3Å; C232-T240 WeakPolarHBondContact CA-O 3.46Å; C232-A241 HydrophobicContact CB-CB 4.21Å
233	H	94.6	Very high	95.6	Very high	110 Å²	110	60.9 Å²	60.9	51%	0.509	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	156.2	175.1	58	-77	0	0	0	109.7	D235 M239 T240	H233-D235 PolarHBondContact O-N 2.91Å; H233-M239 CarbonylContact O-C 3.55Å; H233-M239 WeakPolarHBondContact O-CA 3.05Å; H233-T240 PolarHBondContact N-O 2.89Å; H233-T240 VanDerWaalsContact N-O 3.14Å; H233-T240 PolarHBondContact O-N 3.21Å
234	L	95.8	Very high	95.6	Very high	118 Å²	118	62 Å²	62	62%	0.618	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	119.4	175.2	-177.4	60.2	0	0	0	109.7	M239	L234-M239 HydrophobicContact CB-SD 3.99Å; L234-M239 PolarHBondContact N-SD 3.45Å; L234-M239 VanDerWaalsContact N-SD 3.42Å
235	D	92.4	Very high	95.4	Very high	47 Å²	47	64.2 Å²	64.2	25%	0.251	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	120.8	170.7	-177.1	14.9	0	0	0	107.8	R215 H233 N237 F238	R215-D235 IonicContact CZ-OD2 2.69Å; R215-D235 IonicContact NH1-OD2 2.94Å; R215-D235 IonicContact NH2-OD2 3.22Å; R215-D235 PolarHBondContact NH2-OD2 3.19Å; H233-D235 PolarHBondContact O-N 2.91Å; D235-N237 PolarHBondContact O-N 3.45Å; D235-F238 PolarHBondContact N-O 2.83Å; D235-F238 PolarHBondContact O-N 2.94Å; D235-F238 VanDerWaalsContact O-N 3.16Å; D235-F238 VanDerWaalsContact O-O 3.05Å
236	H	92.6	Very high	95.1	Very high	134 Å²	134	69.9 Å²	69.9	62%	0.62	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	-108.2	-170.1	-64.3	63.5	0	0	0	112.1	E191	E191-H236 WeakPolarHBondContact OE1-CB 3.4Å
237	N	93.1	Very high	95	Very high	62 Å²	62	68.1 Å²	68.1	33%	0.332	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-7.8	-175	-54.8	-81.8	0	0	0	113.7	V186 Y187 E191 D235	V186-N237 PolarHBondContact O-ND2 3.33Å; Y187-N237 HydrophobicContact CD1-CB 3.85Å; Y187-N237 HydrophobicContact CE1-CB 3.77Å; E191-N237 VanDerWaalsContact OE1-CB 3.27Å; E191-N237 WeakPolarHBondContact OE1-CB 3.15Å; E191-N237 PolarHBondContact OE1-N 3.04Å; E191-N237 PolarHBondContact OE1-ND2 3.25Å; E191-N237 VanDerWaalsContact OE1-ND2 3.08Å; E191-N237 PolarHBondContact OE2-ND2 2.99Å; D235-N237 PolarHBondContact O-N 3.45Å
238	F	95.2	Very high	95	Very high	35 Å²	35	66.7 Å²	66.7	15%	0.154	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	143.2	-170.8	-67.6	-80.4	0	0	0	113.7	Y187 E191 L195 F217 D235 T240	Y187-F238 AromaticContact CD1-CE2 3.75Å; Y187-F238 HydrophobicContact CD1-CE2 3.75Å; Y187-F238 HydrophobicContact CD1-CZ 4.31Å; Y187-F238 AromaticContact CE1-CE2 3.6Å; Y187-F238 HydrophobicContact CE1-CE2 3.6Å; Y187-F238 AromaticContact CE1-CZ 3.74Å; Y187-F238 HydrophobicContact CE1-CZ 3.74Å; E191-F238 HydrophobicContact CB-CD2 4.3Å; E191-F238 HydrophobicContact CB-CE2 4.02Å; E191-F238 HydrophobicContact CG-CD2 3.78Å; E191-F238 HydrophobicContact CG-CE2 4.02Å; E191-F238 WeakPolarHBondContact OE1-CD2 3.48Å; L195-F238 HydrophobicContact CD1-CZ 4.28Å; L195-F238 HydrophobicContact CD2-CZ 4.04Å; L195-F238 HydrophobicContact CG-CZ 4.29Å; F217-F238 HydrophobicContact CB-CB 4.36Å; D235-F238 PolarHBondContact N-O 2.83Å; D235-F238 PolarHBondContact O-N 2.94Å; D235-F238 VanDerWaalsContact O-N 3.16Å; D235-F238 VanDerWaalsContact O-O 3.05Å; F238-T240 PolarHBondContact O-N 3.35Å; F238-T240 PolarHBondContact O-OG1 3.33Å
239	M	97.4	Very high	94.8	Very high	52 Å²	52	69.5 Å²	69.5	26%	0.256	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	132.1	160.9	-69.4	-59.8	-71.7	0	0	109.1	F217 G218 A221 E222 C232 H233 L234	F217-M239 CarbonylContact C-O 3.58Å; F217-M239 WeakPolarHBondContact CA-O 3.49Å; G218-M239 PolarHBondContact N-O 2.91Å; A221-M239 HydrophobicContact CB-CB 4.32Å; A221-M239 WeakPolarHBondContact CB-O 3.46Å; E222-M239 HydrophobicContact CG-CB 4.25Å; E222-M239 HydrophobicContact CG-CG 4.36Å; E222-M239 WeakPolarHBondContact OE1-CG 3.49Å; C232-M239 HydrophobicContact CB-CE 4.05Å; C232-M239 VanDerWaalsContact SG-CE 3.51Å; H233-M239 CarbonylContact O-C 3.55Å; H233-M239 WeakPolarHBondContact O-CA 3.05Å; L234-M239 HydrophobicContact CB-SD 3.99Å; L234-M239 PolarHBondContact N-SD 3.45Å; L234-M239 VanDerWaalsContact N-SD 3.42Å
240	T	97.1	Very high	94.7	Very high	3 Å²	3	64.8 Å²	64.8	2%	0.018	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	134.3	-174.4	-58.1	0	0	0	0	112.1	R215 F216 F217 C232 H233 F238	R215-T240 VanDerWaalsContact NE-CG2 3.34Å; F216-T240 WeakPolarHBondContact O-CA 3.48Å; F216-T240 WeakPolarHBondContact O-CG2 3.28Å; F217-T240 HydrophobicContact CD1-CG2 4.31Å; F217-T240 HydrophobicContact CE1-CG2 4.26Å; C232-T240 VanDerWaalsContact CA-O 3.3Å; C232-T240 WeakPolarHBondContact CA-O 3.46Å; H233-T240 PolarHBondContact N-O 2.89Å; H233-T240 VanDerWaalsContact N-O 3.14Å; H233-T240 PolarHBondContact O-N 3.21Å; F238-T240 PolarHBondContact O-N 3.35Å; F238-T240 PolarHBondContact O-OG1 3.33Å
241	A	97	Very high	94.6	Very high	3 Å²	3	63.8 Å²	63.8	3%	0.025	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	164.5	169.3	0	0	0	0	0	110	R215 F216 A221 A224 I230 C232	R215-A241 WeakPolarHBondContact CA-O 3.44Å; F216-A241 HydrophobicContact CD2-CB 4.27Å; F216-A241 PolarHBondContact N-O 3.48Å; F216-A241 PolarHBondContact O-N 2.98Å; A221-A241 HydrophobicContact CB-CB 4.17Å; A224-A241 HydrophobicContact CB-CB 4.46Å; I230-A241 HydrophobicContact CD1-CB 3.81Å; I230-A241 HydrophobicContact CG1-CB 4.2Å; C232-A241 HydrophobicContact CB-CB 4.21Å
242	S	96.4	Very high	94.5	Very high	52 Å²	52	53.4 Å²	53.4	36%	0.364	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	149.1	177.2	68.7	0	0	0	0	114.7	Y214	Y214-S242 CarbonylContact O-C 3.5Å; Y214-S242 WeakPolarHBondContact O-CA 3.38Å; Y214-S242 VanDerWaalsContact O-CB 3.25Å; Y214-S242 WeakPolarHBondContact O-CB 3.22Å
243	I	96.7	Very high	94.2	Very high	5 Å²	5	52.5 Å²	52.5	3%	0.026	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	144.3	177.9	59.2	175.6	0	0	0	110.3	K213 Y214 F216 I230 H251	K213-I243 CarbonylContact C-O 3.44Å; K213-I243 VanDerWaalsContact CA-O 3.25Å; K213-I243 WeakPolarHBondContact CA-O 3.44Å; K213-I243 VanDerWaalsContact CB-O 3.24Å; K213-I243 WeakPolarHBondContact CB-O 3.49Å; Y214-I243 PolarHBondContact N-O 3.48Å; Y214-I243 PolarHBondContact O-N 3.26Å; F216-I243 HydrophobicContact CE2-CD1 4.05Å; F216-I243 HydrophobicContact CE2-CG1 4.07Å; F216-I243 HydrophobicContact CE2-CG2 4.3Å; F216-I243 HydrophobicContact CZ-CD1 4.02Å; F216-I243 HydrophobicContact CZ-CG1 4.5Å; I230-I243 HydrophobicContact CD1-CG2 3.98Å; I243-H251 HydrophobicContact CD1-CB 3.5Å; I243-H251 VanDerWaalsContact CD1-CB 3.5Å
244	P	96.8	Very high	94.1	Very high	50 Å²	50	51.3 Å²	51.3	33%	0.325	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	148.7	177.7	30.6	-35.2	0	0	0	111.3	H246 R247	P244-H246 VanDerWaalsContact C-N 3.33Å; P244-H246 PolarHBondContact O-N 3.4Å; P244-R247 HydrophobicContact CG-CB 4.11Å; P244-R247 HydrophobicContact CG-CG 3.73Å; P244-R247 PolarHBondContact O-N 3.28Å
245	T	92.9	Very high	94	Very high	48 Å²	48	45.7 Å²	45.7	29%	0.294	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-54.8	-43.9	-173.1	46.5	0	0	0	0	113.4	Y212 Y214 R247 L248	Y212-T245 PolarHBondContact O-N 2.92Å; Y212-T245 VanDerWaalsContact O-N 3.08Å; Y212-T245 PolarHBondContact O-OG1 3.27Å; Y214-T245 HydrophobicContact CD2-CG2 4.01Å; Y214-T245 HydrophobicContact CE2-CG2 3.72Å; T245-R247 PolarHBondContact O-N 2.92Å; T245-L248 VanDerWaalsContact O-CB 3.32Å; T245-L248 WeakPolarHBondContact O-CB 3.31Å; T245-L248 PolarHBondContact O-N 3.19Å
246	H	90.5	Very high	94	Very high	136 Å²	136	43.6 Å²	43.6	63%	0.63	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-65.6	-0.3	178.7	74	-94.1	0	0	0	115.1	P244 F249	P244-H246 VanDerWaalsContact C-N 3.33Å; P244-H246 PolarHBondContact O-N 3.4Å; H246-F249 WeakPolarHBondContact O-CE1 3.48Å
247	R	93	Very high	93.9	Very high	105 Å²	105	38.5 Å²	38.5	40%	0.396	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-109.6	1.4	173.4	-64.3	-66.9	-67.6	-176.5	-4.6	113.4	P244 T245 F249 V250 H251	P244-R247 HydrophobicContact CG-CB 4.11Å; P244-R247 HydrophobicContact CG-CG 3.73Å; P244-R247 PolarHBondContact O-N 3.28Å; T245-R247 PolarHBondContact O-N 2.92Å; R247-F249 PolarHBondContact O-N 3.42Å; R247-V250 PolarHBondContact O-N 3.16Å; R247-V250 VanDerWaalsContact O-N 3.12Å; R247-H251 PolarHBondContact O-CD2 3.22Å; R247-H251 VanDerWaalsContact O-CD2 3.25Å; R247-H251 PolarHBondContact O-N 3.4Å
248	L	94.2	Very high	93.7	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.026	20%	0.195	C	C	.	.	H	α-helix	trans	-46.4	-56	-177.1	179.3	68.6	0	0	0	112.1	C207 Y214 T245 V250 H251 V252 V264 D301	C207-L248 HydrophobicContact CB-CD1 4.2Å; Y214-L248 HydrophobicContact CD1-CD1 4.48Å; Y214-L248 HydrophobicContact CD2-CB 4.31Å; Y214-L248 HydrophobicContact CD2-CD1 3.85Å; Y214-L248 HydrophobicContact CE1-CD1 4.41Å; Y214-L248 HydrophobicContact CE2-CB 3.96Å; Y214-L248 HydrophobicContact CE2-CD1 3.78Å; Y214-L248 HydrophobicContact CE2-CD2 3.86Å; Y214-L248 HydrophobicContact CE2-CG 4.08Å; Y214-L248 HydrophobicContact CG-CD1 4.22Å; T245-L248 VanDerWaalsContact O-CB 3.32Å; T245-L248 WeakPolarHBondContact O-CB 3.31Å; T245-L248 PolarHBondContact O-N 3.19Å; L248-V250 VanDerWaalsContact C-N 3.27Å; L248-V250 PolarHBondContact O-N 2.89Å; L248-V250 VanDerWaalsContact O-N 3.16Å; L248-H251 PolarHBondContact O-N 2.69Å; L248-V252 HydrophobicContact CD1-CG2 3.53Å; L248-V252 HydrophobicContact CG-CG2 3.83Å; L248-V252 WeakPolarHBondContact O-CG2 3.42Å; L248-V252 PolarHBondContact O-N 2.96Å; L248-V264 HydrophobicContact CD1-CG2 4.17Å; L248-V264 HydrophobicContact CD2-CG1 3.97Å; L248-V264 HydrophobicContact CD2-CG2 4.25Å; L248-D301 HydrophobicContact CD2-CB 3.87Å
249	F	92	Very high	93.5	Very high	63 Å²	63	38.8 Å²	38.8	28%	0.276	20%	0.197	S	C	.	.	H	α-helix	trans	-50.7	-42.8	-178	70.7	-87.1	0	0	0	113.5	H246 R247 H251 R253 D301 P304	H246-F249 WeakPolarHBondContact O-CE1 3.48Å; R247-F249 PolarHBondContact O-N 3.42Å; F249-H251 PolarHBondContact O-N 3.4Å; F249-R253 VanDerWaalsContact O-CB 3.28Å; F249-R253 WeakPolarHBondContact O-CB 3.24Å; F249-R253 VanDerWaalsContact O-CG 3.26Å; F249-R253 WeakPolarHBondContact O-CG 3.41Å; F249-R253 PolarHBondContact O-N 3.12Å; F249-D301 VanDerWaalsContact CA-O 3.3Å; F249-D301 WeakPolarHBondContact CA-O 3.43Å; F249-D301 VanDerWaalsContact CB-O 3.3Å; F249-D301 WeakPolarHBondContact CB-O 3.12Å; F249-D301 PolarHBondContact N-O 3.08Å; F249-P304 HydrophobicContact CD2-CB 4.39Å; F249-P304 HydrophobicContact CD2-CG 3.67Å; F249-P304 HydrophobicContact CE2-CB 4.29Å; F249-P304 HydrophobicContact CE2-CG 3.73Å; F249-P304 HydrophobicContact CG-CG 4.31Å; F249-P304 HydrophobicContact CZ-CG 4.43Å
250	V	92.1	Very high	93.3	Very high	36 Å²	36	39.3 Å²	39.3	22%	0.218	20%	0.197	C	C	.	.	H	α-helix	trans	-65.2	-41.7	-179.5	-175.7	0	0	0	0	111.5	R247 L248 R254	R247-V250 PolarHBondContact O-N 3.16Å; R247-V250 VanDerWaalsContact O-N 3.12Å; L248-V250 VanDerWaalsContact C-N 3.27Å; L248-V250 PolarHBondContact O-N 2.89Å; L248-V250 VanDerWaalsContact O-N 3.16Å; V250-R254 VanDerWaalsContact O-CG 3.3Å; V250-R254 WeakPolarHBondContact O-CG 3.37Å; V250-R254 PolarHBondContact O-N 2.65Å
251	H	94.3	Very high	93.3	Very high	19 Å²	19	39.4 Å²	39.4	9%	0.088	20%	0.197	C	C	.	.	H	α-helix	trans	-82.6	-37.1	-175	-67.6	-74.9	0	0	0	112.1	L228 I243 R247 L248 F249 R254 L255	L228-H251 HydrophobicContact CD1-CB 3.87Å; L228-H251 HydrophobicContact CD2-CB 4.05Å; I243-H251 HydrophobicContact CD1-CB 3.5Å; I243-H251 VanDerWaalsContact CD1-CB 3.5Å; R247-H251 PolarHBondContact O-CD2 3.22Å; R247-H251 VanDerWaalsContact O-CD2 3.25Å; R247-H251 PolarHBondContact O-N 3.4Å; L248-H251 PolarHBondContact O-N 2.69Å; F249-H251 PolarHBondContact O-N 3.4Å; H251-R254 PolarHBondContact O-N 2.94Å; H251-L255 WeakPolarHBondContact O-CG 3.47Å; H251-L255 PolarHBondContact O-N 3.45Å; H251-L255 VanDerWaalsContact O-N 3.1Å
252	V	94.3	Very high	93.3	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.006	20%	0.196	C	C	.	.	H	α-helix	trans	-59.6	-50.4	170.9	175.4	0	0	0	0	109.8	L248 R254 L255 V256 V262 V264 Y292 V302	L248-V252 HydrophobicContact CD1-CG2 3.53Å; L248-V252 HydrophobicContact CG-CG2 3.83Å; L248-V252 WeakPolarHBondContact O-CG2 3.42Å; L248-V252 PolarHBondContact O-N 2.96Å; V252-R254 VanDerWaalsContact C-N 3.34Å; V252-R254 PolarHBondContact O-N 3.16Å; V252-L255 PolarHBondContact O-N 3.35Å; V252-L255 VanDerWaalsContact O-N 3.16Å; V252-V256 HydrophobicContact CG1-CG2 4.13Å; V252-V256 WeakPolarHBondContact O-CB 3.43Å; V252-V256 WeakPolarHBondContact O-CG2 3.32Å; V252-V256 PolarHBondContact O-N 3.25Å; V252-V262 HydrophobicContact CG1-CB 4.31Å; V252-V262 HydrophobicContact CG1-CG1 4.15Å; V252-V262 HydrophobicContact CG2-CG1 4.13Å; V252-V264 HydrophobicContact CG2-CG2 4.23Å; V252-Y292 HydrophobicContact CG1-CD2 3.89Å; V252-Y292 HydrophobicContact CG1-CG 4.06Å; V252-V302 HydrophobicContact CB-CG1 4.19Å; V252-V302 HydrophobicContact CG1-CG1 3.71Å
253	R	90.9	Very high	93.3	Very high	18 Å²	18	36.8 Å²	36.8	7%	0.068	18%	0.179	C	C	.	.	H	α-helix	trans	-62.3	-37.2	-179.8	-73	178.4	64.3	172.1	-10.7	113.3	F249 A257 L297 V302 D315 E316 M318	F249-R253 VanDerWaalsContact O-CB 3.28Å; F249-R253 WeakPolarHBondContact O-CB 3.24Å; F249-R253 VanDerWaalsContact O-CG 3.26Å; F249-R253 WeakPolarHBondContact O-CG 3.41Å; F249-R253 PolarHBondContact O-N 3.12Å; R253-A257 VanDerWaalsContact O-CB 3.29Å; R253-A257 WeakPolarHBondContact O-CB 3.5Å; R253-A257 PolarHBondContact O-N 3.3Å; R253-L297 HydrophobicContact CG-CD2 3.79Å; R253-V302 WeakPolarHBondContact CD-O 3.47Å; R253-V302 PolarHBondContact NH1-O 3.24Å; R253-D315 IonicContact CZ-OD2 3.57Å; R253-D315 IonicContact NH1-OD2 3.91Å; R253-D315 PolarHBondContact NH1-OD2 3.06Å; R253-D315 IonicContact NH2-OD2 2.62Å; R253-D315 PolarHBondContact NH2-OD2 2.94Å; R253-E316 PolarHBondContact NH2-O 3.01Å; R253-M318 HydrophobicContact CB-SD 3.99Å
254	R	91.5	Very high	93.3	Very high	85 Å²	85	36.6 Å²	36.6	32%	0.321	18%	0.177	S	C	.	.	H	α-helix	trans	-62.8	-43.3	172.9	-78.2	177.6	67.7	-174.3	2.9	112.9	E227 L228 V250 H251 V252 K258	E227-R254 PolarHBondContact O-NH2 2.91Å; L228-R254 VanDerWaalsContact CA-NH2 3.3Å; L228-R254 HydrophobicContact CD2-CB 3.74Å; L228-R254 PolarHBondContact O-NH1 3.42Å; L228-R254 PolarHBondContact O-NH2 3.02Å; L228-R254 VanDerWaalsContact O-NH2 3.14Å; V250-R254 VanDerWaalsContact O-CG 3.3Å; V250-R254 WeakPolarHBondContact O-CG 3.37Å; V250-R254 PolarHBondContact O-N 2.65Å; H251-R254 PolarHBondContact O-N 2.94Å; V252-R254 VanDerWaalsContact C-N 3.34Å; V252-R254 PolarHBondContact O-N 3.16Å; R254-K258 WeakPolarHBondContact O-CG 3.35Å; R254-K258 PolarHBondContact O-N 2.96Å
255	L	93.8	Very high	93.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-68	-42.9	177	-71.7	170.1	0	0	0	111.9	V205 F216 I223 E227 L228 H251 V252 K258 G259 Y260 V262	V205-L255 HydrophobicContact CG1-CD1 4.11Å; F216-L255 HydrophobicContact CE1-CD1 4.28Å; I223-L255 HydrophobicContact CG2-CD2 4.02Å; E227-L255 HydrophobicContact CB-CD2 4.05Å; E227-L255 HydrophobicContact CG-CD2 4.47Å; L228-L255 HydrophobicContact CD1-CD1 4.42Å; L228-L255 HydrophobicContact CD2-CD2 4.43Å; L228-L255 HydrophobicContact CD2-CG 4.09Å; L228-L255 HydrophobicContact CG-CD2 4.49Å; L228-L255 HydrophobicContact CG-CG 4.48Å; H251-L255 WeakPolarHBondContact O-CG 3.47Å; H251-L255 PolarHBondContact O-N 3.45Å; H251-L255 VanDerWaalsContact O-N 3.1Å; V252-L255 PolarHBondContact O-N 3.35Å; V252-L255 VanDerWaalsContact O-N 3.16Å; L255-K258 PolarHBondContact O-N 3.13Å; L255-G259 PolarHBondContact O-N 2.96Å; L255-Y260 HydrophobicContact CD2-CD2 4.25Å; L255-Y260 WeakPolarHBondContact O-CB 3.48Å; L255-Y260 PolarHBondContact O-N 3.14Å; L255-Y260 VanDerWaalsContact O-N 3.14Å; L255-V262 HydrophobicContact CB-CG2 3.61Å; L255-V262 HydrophobicContact CD1-CG2 4.22Å
256	V	93.2	Very high	93.4	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.018	16%	0.158	C	C	.	.	H	α-helix	trans	-65.4	-38.6	178.3	171.5	0	0	0	0	111.8	V252 K258 G259 V262 T293 K294 L297	V252-V256 HydrophobicContact CG1-CG2 4.13Å; V252-V256 WeakPolarHBondContact O-CB 3.43Å; V252-V256 WeakPolarHBondContact O-CG2 3.32Å; V252-V256 PolarHBondContact O-N 3.25Å; V256-K258 VanDerWaalsContact C-N 3.32Å; V256-K258 PolarHBondContact O-N 2.84Å; V256-G259 WeakPolarHBondContact O-CA 3.47Å; V256-G259 PolarHBondContact O-N 2.96Å; V256-V262 HydrophobicContact CG2-CB 4.28Å; V256-V262 HydrophobicContact CG2-CG2 3.79Å; V256-T293 WeakPolarHBondContact CG1-O 3.28Å; V256-K294 HydrophobicContact CG1-CG 4.29Å; V256-K294 WeakPolarHBondContact O-CG 3.47Å; V256-L297 HydrophobicContact CG1-CD1 3.94Å; V256-L297 HydrophobicContact CG1-CG 4.37Å
257	A	88.8	Confident	93.5	Very high	27 Å²	27	30 Å²	30	22%	0.223	14%	0.138	C	C	.	.	H	α-helix	trans	-59.5	-41.2	173.3	0	0	0	0	0	111.9	R253 G259 K294	R253-A257 VanDerWaalsContact O-CB 3.29Å; R253-A257 WeakPolarHBondContact O-CB 3.5Å; R253-A257 PolarHBondContact O-N 3.3Å; A257-G259 PolarHBondContact O-N 2.93Å; A257-G259 VanDerWaalsContact O-N 3.12Å; A257-K294 WeakPolarHBondContact O-CE 3.35Å; A257-K294 PolarHBondContact O-NZ 3.3Å
258	K	89.6	Confident	93.3	Very high	84 Å²	84	28.1 Å²	28.1	37%	0.365	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-2.6	171.9	-62.4	-64	-171.7	-172.5	0	114.2	E227 R254 L255 V256 Y260 D408	E227-K258 WeakPolarHBondContact OE2-CE 3.36Å; R254-K258 WeakPolarHBondContact O-CG 3.35Å; R254-K258 PolarHBondContact O-N 2.96Å; L255-K258 PolarHBondContact O-N 3.13Å; V256-K258 VanDerWaalsContact C-N 3.32Å; V256-K258 PolarHBondContact O-N 2.84Å; K258-Y260 HydrophobicContact CB-CD2 3.89Å; K258-Y260 HydrophobicContact CB-CE2 4Å; K258-D408 WeakPolarHBondContact CE-OD1 3.25Å; K258-D408 IonicContact NZ-OD1 3.99Å; K258-D408 PolarHBondContact NZ-OD1 3.19Å
259	G	90.4	Very high	93	Very high	19 Å²	19	30.1 Å²	30.1	20%	0.196	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.4	3.3	175.6	0	0	0	0	0	115.6	L255 V256 A257 R412	L255-G259 PolarHBondContact O-N 2.96Å; V256-G259 WeakPolarHBondContact O-CA 3.47Å; V256-G259 PolarHBondContact O-N 2.96Å; A257-G259 PolarHBondContact O-N 2.93Å; A257-G259 VanDerWaalsContact O-N 3.12Å; G259-R412 PolarHBondContact O-NH1 3.33Å
260	Y	94.6	Very high	92.8	Very high	63 Å²	63	29.5 Å²	29.5	25%	0.247	15%	0.15	C	C	.	.			trans	-71	143.2	177.6	-68.8	-78.8	0	0	0	112	V205 I223 R226 E227 L255 K258	V205-Y260 HydrophobicContact CG2-CD1 3.88Å; V205-Y260 HydrophobicContact CG2-CG 4.21Å; I223-Y260 HydrophobicContact CD1-CE1 4.04Å; I223-Y260 HydrophobicContact CG1-CE1 4.48Å; I223-Y260 HydrophobicContact CG2-CD1 4.34Å; I223-Y260 HydrophobicContact CG2-CD2 4.32Å; I223-Y260 HydrophobicContact CG2-CE1 3.91Å; I223-Y260 HydrophobicContact CG2-CE2 3.88Å; R226-Y260 PolarHBondContact NH2-OH 3.32Å; E227-Y260 HydrophobicContact CG-CE2 4Å; L255-Y260 HydrophobicContact CD2-CD2 4.25Å; L255-Y260 WeakPolarHBondContact O-CB 3.48Å; L255-Y260 PolarHBondContact O-N 3.14Å; L255-Y260 VanDerWaalsContact O-N 3.14Å; K258-Y260 HydrophobicContact CB-CD2 3.89Å; K258-Y260 HydrophobicContact CB-CE2 4Å
261	K	96.2	Very high	92.6	Very high	6 Å²	6	30.7 Å²	30.7	3%	0.026	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	133	160.4	-173.2	-179.5	-65.6	172	0	107	D203 A204 V205 L291 Y292 T293 E414	D203-K261 VanDerWaalsContact OD2-CD 3.28Å; D203-K261 WeakPolarHBondContact OD2-CD 3.2Å; D203-K261 WeakPolarHBondContact OD2-CE 3.49Å; D203-K261 IonicContact OD2-NZ 2.81Å; D203-K261 PolarHBondContact OD2-NZ 3.42Å; A204-K261 CarbonylContact C-O 3.52Å; A204-K261 WeakPolarHBondContact CA-O 3.21Å; A204-K261 HydrophobicContact CB-CB 4.38Å; A204-K261 HydrophobicContact CB-CD 4.17Å; A204-K261 HydrophobicContact CB-CG 4.05Å; V205-K261 PolarHBondContact N-O 3.28Å; K261-L291 HydrophobicContact CD-CD2 4.21Å; K261-L291 HydrophobicContact CG-CD2 4.21Å; K261-Y292 CarbonylContact C-O 3.57Å; K261-Y292 WeakPolarHBondContact CA-O 3.46Å; K261-T293 HydrophobicContact CB-CG2 3.96Å; K261-T293 HydrophobicContact CD-CG2 4.42Å; K261-T293 HydrophobicContact CG-CG2 3.72Å; K261-E414 IonicContact NZ-OE1 2.62Å; K261-E414 PolarHBondContact NZ-OE1 3.46Å; K261-E414 IonicContact NZ-OE2 2.65Å
262	V	97.3	Very high	92.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	125.4	-175.7	-176.4	0	0	0	0	109.7	V205 V252 L255 V256 L291 Y292	V205-V262 WeakPolarHBondContact O-CA 3.42Å; V252-V262 HydrophobicContact CG1-CB 4.31Å; V252-V262 HydrophobicContact CG1-CG1 4.15Å; V252-V262 HydrophobicContact CG2-CG1 4.13Å; L255-V262 HydrophobicContact CB-CG2 3.61Å; L255-V262 HydrophobicContact CD1-CG2 4.22Å; V256-V262 HydrophobicContact CG2-CB 4.28Å; V256-V262 HydrophobicContact CG2-CG2 3.79Å; V262-L291 CarbonylContact O-C 3.54Å; V262-L291 WeakPolarHBondContact O-CA 3.37Å; V262-Y292 PolarHBondContact N-O 3.37Å; V262-Y292 PolarHBondContact O-N 3.15Å
263	G	96.9	Very high	91.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	126.9	176.4	0	0	0	0	0	111.7	V205 C207	V205-G263 PolarHBondContact O-N 3.02Å; C207-G263 PolarHBondContact N-O 3.41Å
264	V	97	Very high	91.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	115.2	174	177.8	0	0	0	0	109	Y214 L248 V252 K266 T289 A290 Y292	Y214-V264 HydrophobicContact CE1-CG1 4.04Å; L248-V264 HydrophobicContact CD1-CG2 4.17Å; L248-V264 HydrophobicContact CD2-CG1 3.97Å; L248-V264 HydrophobicContact CD2-CG2 4.25Å; V252-V264 HydrophobicContact CG2-CG2 4.23Å; V264-K266 HydrophobicContact CG1-CG 4.22Å; V264-T289 PolarHBondContact O-N 3.22Å; V264-T289 PolarHBondContact O-OG1 2.85Å; V264-T289 VanDerWaalsContact O-OG1 3.12Å; V264-A290 PolarHBondContact N-O 2.97Å; V264-Y292 HydrophobicContact CB-CE2 4.36Å; V264-Y292 HydrophobicContact CG2-CD2 3.99Å; V264-Y292 HydrophobicContact CG2-CE2 3.7Å
265	V	96.6	Very high	91	Very high	1 Å²	1	31 Å²	31	1%	0.006	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	111.1	-178	170.9	0	0	0	0	108.8	M197 C207 V208 E209 R286 K287 L288	M197-V265 HydrophobicContact CE-CG1 3.75Å; M197-V265 HydrophobicContact SD-CG1 3.56Å; M197-V265 VanDerWaalsContact SD-CG1 3.56Å; M197-V265 HydrophobicContact SD-CG2 4.08Å; C207-V265 PolarHBondContact O-N 3.13Å; V208-V265 HydrophobicContact CG1-CG1 4.24Å; V208-V265 HydrophobicContact CG2-CB 4.44Å; E209-V265 VanDerWaalsContact CB-O 3.26Å; E209-V265 WeakPolarHBondContact CB-O 3.35Å; E209-V265 PolarHBondContact N-O 2.9Å; V265-R286 HydrophobicContact CG1-CB 3.9Å; V265-R286 HydrophobicContact CG1-CG 4.44Å; V265-K287 WeakPolarHBondContact CA-O 3.31Å; V265-L288 HydrophobicContact CG2-CB 4.31Å; V265-L288 HydrophobicContact CG2-CD1 4.07Å
266	K	94.4	Very high	90.5	Very high	47 Å²	47	35.7 Å²	35.7	20%	0.204	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	159.6	-178.7	-72.8	177.3	170.2	172.1	0	112.2	E209 Y214 V264 R286 K287 T289 D301	E209-K266 WeakPolarHBondContact OE2-CA 3.48Å; Y214-K266 WeakPolarHBondContact OH-CE 3.39Å; V264-K266 HydrophobicContact CG1-CG 4.22Å; K266-R286 WeakPolarHBondContact O-CA 3.32Å; K266-K287 PolarHBondContact N-O 2.75Å; K266-K287 PolarHBondContact O-N 3.46Å; K266-K287 VanDerWaalsContact O-N 3.17Å; K266-T289 HydrophobicContact CB-CG2 3.9Å; K266-T289 HydrophobicContact CD-CG2 4.39Å; K266-T289 HydrophobicContact CG-CG2 4.45Å; K266-D301 WeakPolarHBondContact CE-OD1 3.14Å; K266-D301 WeakPolarHBondContact CE-OD2 3.36Å; K266-D301 IonicContact NZ-OD1 2.67Å; K266-D301 PolarHBondContact NZ-OD1 3.46Å; K266-D301 IonicContact NZ-OD2 3.81Å; K266-D301 PolarHBondContact NZ-OD2 3.46Å
267	Q	92.9	Very high	89.9	Confident	47 Å²	47	36.8 Å²	36.8	22%	0.22	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	132.5	173	-63.5	-172.6	-138.6	0	0	110.5	E209 S285 R286	E209-Q267 HydrophobicContact CB-CG 4.28Å; E209-Q267 HydrophobicContact CG-CG 4.19Å; E209-Q267 PolarHBondContact OE2-N 3.32Å; Q267-S285 WeakPolarHBondContact CA-O 3.42Å; Q267-R286 HydrophobicContact CG-CG 4.35Å
268	T	88.9	Confident	89.5	Confident	67 Å²	67	43.8 Å²	43.8	41%	0.411	25%	0.253	S	S	.	.	S	Bend	trans	-93.7	-4.4	-178.5	28.3	0	0	0	0	114.5	S285 R286 K287	T268-S285 PolarHBondContact N-O 2.95Å; T268-S285 VanDerWaalsContact N-O 3.08Å; T268-S285 WeakPolarHBondContact OG1-CB 3.38Å; T268-S285 PolarHBondContact OG1-O 3.24Å; T268-S285 PolarHBondContact OG1-OG 3.06Å; T268-R286 PolarHBondContact OG1-N 2.72Å; T268-K287 HydrophobicContact CG2-CB 4.41Å; T268-K287 HydrophobicContact CG2-CD 3.67Å; T268-K287 HydrophobicContact CG2-CG 3.66Å
269	E	87.5	Confident	89.2	Confident	46 Å²	46	42.3 Å²	42.3	22%	0.215	25%	0.249	C	C	.	.			trans	-128.9	137.3	-176.9	-79.3	157.1	-154.8	0	0	110.9	K274 N279 F284 S285	E269-K274 HydrophobicContact CB-CB 4.38Å; E269-K274 HydrophobicContact CB-CD 4.46Å; E269-K274 WeakPolarHBondContact OE2-CD 3.24Å; E269-K274 WeakPolarHBondContact OE2-CE 3.35Å; E269-N279 VanDerWaalsContact CD-ND2 3.31Å; E269-N279 PolarHBondContact OE1-ND2 3.18Å; E269-N279 PolarHBondContact OE2-ND2 3.49Å; E269-F284 HydrophobicContact CB-CD1 4.09Å; E269-F284 WeakPolarHBondContact O-CD1 3.45Å; E269-S285 WeakPolarHBondContact CG-OG 3.48Å; E269-S285 VanDerWaalsContact OE1-CB 3.24Å; E269-S285 WeakPolarHBondContact OE1-CB 3.15Å; E269-S285 PolarHBondContact OE1-OG 3.42Å; E269-S285 PolarHBondContact OE2-N 2.88Å
270	T	87.4	Confident	88.8	Confident	51 Å²	51	47.6 Å²	47.6	31%	0.313	27%	0.267	S	S	.	.			trans	-92.6	161.9	171.6	58.7	0	0	0	0	111.2	K274 E755	T270-K274 WeakPolarHBondContact O-CB 3.38Å; T270-K274 PolarHBondContact O-N 2.76Å; T270-E755 WeakPolarHBondContact CB-OE2 3.39Å; T270-E755 PolarHBondContact OG1-OE2 2.92Å
271	A	87.2	Confident	88.1	Confident	61 Å²	61	50.3 Å²	50.3	50%	0.504	30%	0.295	S	S	.	.	H	α-helix	trans	-75.6	-38.4	-162.5	0	0	0	0	0	114.2	A275 F284 E755	A271-A275 PolarHBondContact O-N 2.94Å; A271-F284 HydrophobicContact CB-CE1 4.46Å; A271-F284 HydrophobicContact CB-CZ 4.27Å; A271-E755 PolarHBondContact N-OE1 3.22Å; A271-E755 VanDerWaalsContact N-OE1 3.15Å; A271-E755 PolarHBondContact N-OE2 2.84Å
272	A	84.8	Confident	87.7	Confident	17 Å²	17	52.8 Å²	52.8	14%	0.14	31%	0.313	C	S	.	.	H	α-helix	trans	-78.1	-33.9	-178.5	0	0	0	0	0	112.6	N751 Q752 E755	A272-N751 HydrophobicContact CB-CB 4.07Å; A272-Q752 HydrophobicContact CB-CG 3.9Å; A272-Q752 WeakPolarHBondContact O-CG 3.45Å; A272-Q752 PolarHBondContact O-NE2 3.25Å; A272-E755 WeakPolarHBondContact CA-OE2 3.43Å; A272-E755 VanDerWaalsContact CB-CD 3.46Å; A272-E755 HydrophobicContact CB-CG 4.41Å; A272-E755 WeakPolarHBondContact CB-OE1 3.18Å; A272-E755 WeakPolarHBondContact CB-OE2 3.49Å; A272-E755 VanDerWaalsContact N-CD 3.27Å; A272-E755 PolarHBondContact N-OE1 3.01Å; A272-E755 PolarHBondContact N-OE2 2.94Å
273	L	85.6	Confident	87.3	Confident	41 Å²	41	55.7 Å²	55.7	22%	0.215	33%	0.33	C	S	.	.	H	α-helix	trans	-70.3	-46.7	171.8	-64.4	-179.4	0	0	0	111.6	A275 I276 G277 Q752 E755 L759	L273-A275 PolarHBondContact O-N 3.1Å; L273-I276 PolarHBondContact O-N 2.99Å; L273-G277 PolarHBondContact O-N 3.05Å; L273-Q752 HydrophobicContact CD2-CB 4.33Å; L273-E755 HydrophobicContact CD1-CB 4.03Å; L273-E755 HydrophobicContact CG-CB 3.94Å; L273-E755 PolarHBondContact N-OE2 2.82Å; L273-L759 HydrophobicContact CD1-CD1 3.58Å
274	K	87.2	Confident	87	Confident	13 Å²	13	58.9 Å²	58.9	6%	0.057	34%	0.344	C	S	.	.	H	α-helix	trans	-57.2	-32.1	175.4	-171.9	178.8	-166.7	-61.7	0	112.6	E269 T270 I276 G277 N279 K280 S282 V283 F284	E269-K274 HydrophobicContact CB-CB 4.38Å; E269-K274 HydrophobicContact CB-CD 4.46Å; E269-K274 WeakPolarHBondContact OE2-CD 3.24Å; E269-K274 WeakPolarHBondContact OE2-CE 3.35Å; T270-K274 WeakPolarHBondContact O-CB 3.38Å; T270-K274 PolarHBondContact O-N 2.76Å; K274-I276 PolarHBondContact O-N 3.5Å; K274-G277 PolarHBondContact O-N 3.25Å; K274-N279 PolarHBondContact NZ-O 3.04Å; K274-K280 PolarHBondContact NZ-O 3.26Å; K274-K280 VanDerWaalsContact NZ-O 3.15Å; K274-K280 VanDerWaalsContact O-CA 3.24Å; K274-K280 WeakPolarHBondContact O-CA 3.48Å; K274-K280 WeakPolarHBondContact O-CB 3.45Å; K274-S282 PolarHBondContact NZ-O 2.8Å; K274-S282 PolarHBondContact NZ-OG 3.02Å; K274-V283 WeakPolarHBondContact CE-O 3.3Å; K274-F284 HydrophobicContact CB-CE1 4.43Å; K274-F284 HydrophobicContact CD-CD1 3.55Å; K274-F284 HydrophobicContact CD-CD2 4.43Å; K274-F284 HydrophobicContact CD-CE1 3.72Å; K274-F284 HydrophobicContact CD-CG 3.93Å; K274-F284 HydrophobicContact CD-CZ 4.23Å
275	A	81.2	Confident	86.8	Confident	59 Å²	59	60.4 Å²	60.4	49%	0.488	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-20.2	177.2	0	0	0	0	0	114.2	A271 L273	A271-A275 PolarHBondContact O-N 2.94Å; L273-A275 PolarHBondContact O-N 3.1Å
276	I	82.1	Confident	86.6	Confident	97 Å²	97	62 Å²	62	50%	0.497	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-48.6	172.1	-52.9	161.5	0	0	0	110.7	L273 K274 Q752	L273-I276 PolarHBondContact O-N 2.99Å; K274-I276 PolarHBondContact O-N 3.5Å; I276-Q752 VanDerWaalsContact CD1-CD 3.43Å; I276-Q752 HydrophobicContact CD1-CG 3.85Å; I276-Q752 VanDerWaalsContact CD1-NE2 3.28Å
277	G	80.7	Confident	86.6	Confident	27 Å²	27	65.6 Å²	65.6	28%	0.278	38%	0.377	S	S	.	.	S	Bend	trans	-58.5	163.3	-164.4	0	0	0	0	0	115.4	L273 K274 N279 K280	L273-G277 PolarHBondContact O-N 3.05Å; K274-G277 PolarHBondContact O-N 3.25Å; G277-N279 PolarHBondContact O-N 3.3Å; G277-K280 VanDerWaalsContact O-CB 3.3Å; G277-K280 WeakPolarHBondContact O-CB 3.37Å; G277-K280 PolarHBondContact O-N 3.14Å
278	D	80.8	Confident	86.6	Confident	173 Å²	173	65.4 Å²	65.4	93%	0.925	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-29.8	-172.7	-54.3	-46.9	0	0	0	112.8
279	N	83.5	Confident	86.8	Confident	54 Å²	54	64.8 Å²	64.8	29%	0.289	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	13.9	178.2	77	-3.5	0	0	0	114.6	E269 K274 G277 S281 S282	E269-N279 VanDerWaalsContact CD-ND2 3.31Å; E269-N279 PolarHBondContact OE1-ND2 3.18Å; E269-N279 PolarHBondContact OE2-ND2 3.49Å; K274-N279 PolarHBondContact NZ-O 3.04Å; G277-N279 PolarHBondContact O-N 3.3Å; N279-S281 PolarHBondContact O-N 3.32Å; N279-S282 WeakPolarHBondContact O-CB 3.23Å; N279-S282 PolarHBondContact O-N 3.16Å; N279-S282 PolarHBondContact O-OG 2.84Å
280	K	81.6	Confident	87.1	Confident	130 Å²	130	63 Å²	63	57%	0.565	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.5	-36.3	-174.2	60.2	-162.2	168.6	-154.6	0	116.1	K274 G277	K274-K280 PolarHBondContact NZ-O 3.26Å; K274-K280 VanDerWaalsContact NZ-O 3.15Å; K274-K280 VanDerWaalsContact O-CA 3.24Å; K274-K280 WeakPolarHBondContact O-CA 3.48Å; K274-K280 WeakPolarHBondContact O-CB 3.45Å; G277-K280 VanDerWaalsContact O-CB 3.3Å; G277-K280 WeakPolarHBondContact O-CB 3.37Å; G277-K280 PolarHBondContact O-N 3.14Å
281	S	81.3	Confident	87.5	Confident	119 Å²	119	60.9 Å²	60.9	83%	0.832	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-7.7	178.9	51.5	0	0	0	0	115.9	N279	N279-S281 PolarHBondContact O-N 3.32Å
282	S	86.8	Confident	87.9	Confident	58 Å²	58	58.3 Å²	58.3	41%	0.406	33%	0.331	S	S	.	.	S	Bend	trans	-79.9	173.5	176.7	75.7	0	0	0	0	112.8	K274 N279	K274-S282 PolarHBondContact NZ-O 2.8Å; K274-S282 PolarHBondContact NZ-OG 3.02Å; N279-S282 WeakPolarHBondContact O-CB 3.23Å; N279-S282 PolarHBondContact O-N 3.16Å; N279-S282 PolarHBondContact O-OG 2.84Å
283	V	88.4	Confident	88.3	Confident	61 Å²	61	57.5 Å²	57.5	37%	0.37	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-63.6	152.9	156.6	-73	0	0	0	0	110.9	P189 K274	P189-V283 HydrophobicContact CB-CG1 3.89Å; P189-V283 HydrophobicContact CB-CG2 3.94Å; K274-V283 WeakPolarHBondContact CE-O 3.3Å
284	F	91.3	Very high	88.6	Confident	67 Å²	67	56 Å²	56	29%	0.294	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-53.7	138.2	171.3	-71.5	-94.1	0	0	0	111.3	Q193 E269 A271 K274 R286	Q193-F284 PolarHBondContact NE2-O 3.38Å; Q193-F284 PolarHBondContact OE1-O 3.45Å; E269-F284 HydrophobicContact CB-CD1 4.09Å; E269-F284 WeakPolarHBondContact O-CD1 3.45Å; A271-F284 HydrophobicContact CB-CE1 4.46Å; A271-F284 HydrophobicContact CB-CZ 4.27Å; K274-F284 HydrophobicContact CB-CE1 4.43Å; K274-F284 HydrophobicContact CD-CD1 3.55Å; K274-F284 HydrophobicContact CD-CD2 4.43Å; K274-F284 HydrophobicContact CD-CE1 3.72Å; K274-F284 HydrophobicContact CD-CG 3.93Å; K274-F284 HydrophobicContact CD-CZ 4.23Å; F284-R286 PolarHBondContact O-NH1 2.88Å; F284-R286 VanDerWaalsContact O-NH1 3.14Å
285	S	91.9	Very high	88.9	Confident	33 Å²	33	55.4 Å²	55.4	23%	0.231	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-68.2	155	168.6	62.7	0	0	0	0	111.8	Q267 T268 E269	Q267-S285 WeakPolarHBondContact CA-O 3.42Å; T268-S285 PolarHBondContact N-O 2.95Å; T268-S285 VanDerWaalsContact N-O 3.08Å; T268-S285 WeakPolarHBondContact OG1-CB 3.38Å; T268-S285 PolarHBondContact OG1-O 3.24Å; T268-S285 PolarHBondContact OG1-OG 3.06Å; E269-S285 WeakPolarHBondContact CG-OG 3.48Å; E269-S285 VanDerWaalsContact OE1-CB 3.24Å; E269-S285 WeakPolarHBondContact OE1-CB 3.15Å; E269-S285 PolarHBondContact OE1-OG 3.42Å; E269-S285 PolarHBondContact OE2-N 2.88Å
286	R	93.3	Very high	89.6	Confident	35 Å²	35	52.7 Å²	52.7	13%	0.132	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	153.6	-178.5	-72.2	177.9	175.6	65.5	19.1	109.7	M197 E209 V265 K266 Q267 T268 F284	M197-R286 HydrophobicContact CE-CB 4.09Å; M197-R286 HydrophobicContact SD-CB 4.44Å; E209-R286 VanDerWaalsContact O-CZ 3.27Å; E209-R286 PolarHBondContact O-NE 2.99Å; E209-R286 PolarHBondContact O-NH2 2.84Å; V265-R286 HydrophobicContact CG1-CB 3.9Å; V265-R286 HydrophobicContact CG1-CG 4.44Å; K266-R286 WeakPolarHBondContact O-CA 3.32Å; Q267-R286 HydrophobicContact CG-CG 4.35Å; T268-R286 PolarHBondContact OG1-N 2.72Å; F284-R286 PolarHBondContact O-NH1 2.88Å; F284-R286 VanDerWaalsContact O-NH1 3.14Å
287	K	93.9	Very high	90	Very high	121 Å²	121	49.6 Å²	49.6	53%	0.526	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	156.8	164.3	70	-175.5	177.7	-179.9	0	110.8	V265 K266 T268 T289	V265-K287 WeakPolarHBondContact CA-O 3.31Å; K266-K287 PolarHBondContact N-O 2.75Å; K266-K287 PolarHBondContact O-N 3.46Å; K266-K287 VanDerWaalsContact O-N 3.17Å; T268-K287 HydrophobicContact CG2-CB 4.41Å; T268-K287 HydrophobicContact CG2-CD 3.67Å; T268-K287 HydrophobicContact CG2-CG 3.66Å; K287-T289 HydrophobicContact CG-CG2 4.01Å; K287-T289 PolarHBondContact O-N 2.8Å
288	L	94.1	Very high	90.4	Very high	43 Å²	43	48.7 Å²	48.7	23%	0.225	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	123.4	160.4	-176.5	66.8	0	0	0	108.5	H201 V265 A290 L291	H201-L288 VanDerWaalsContact NE2-CD2 3.35Å; H201-L288 WeakPolarHBondContact NE2-CD2 3.5Å; V265-L288 HydrophobicContact CG2-CB 4.31Å; V265-L288 HydrophobicContact CG2-CD1 4.07Å; L288-A290 WeakPolarHBondContact CD1-O 3.29Å; L288-L291 HydrophobicContact CD1-CD2 4.24Å; L288-L291 HydrophobicContact CD1-CG 4.46Å; L288-L291 HydrophobicContact CD2-CD1 4.19Å; L288-L291 HydrophobicContact CD2-CD2 4.06Å; L288-L291 HydrophobicContact CD2-CG 3.94Å
289	T	91.9	Very high	90.7	Very high	54 Å²	54	40.6 Å²	40.6	33%	0.331	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	-25.2	178.8	49.9	0	0	0	0	113.1	V264 K266 K287	V264-T289 PolarHBondContact O-N 3.22Å; V264-T289 PolarHBondContact O-OG1 2.85Å; V264-T289 VanDerWaalsContact O-OG1 3.12Å; K266-T289 HydrophobicContact CB-CG2 3.9Å; K266-T289 HydrophobicContact CD-CG2 4.39Å; K266-T289 HydrophobicContact CG-CG2 4.45Å; K287-T289 HydrophobicContact CG-CG2 4.01Å; K287-T289 PolarHBondContact O-N 2.8Å
290	A	93.3	Very high	90.8	Very high	10 Å²	10	42.3 Å²	42.3	8%	0.083	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	149.6	175.8	0	0	0	0	0	111.2	V264 L288 Y292	V264-A290 PolarHBondContact N-O 2.97Å; L288-A290 WeakPolarHBondContact CD1-O 3.29Å; A290-Y292 HydrophobicContact CB-CD2 4.46Å; A290-Y292 HydrophobicContact CB-CE2 3.59Å; A290-Y292 WeakPolarHBondContact CB-OH 3.46Å
291	L	95.6	Very high	91.2	Very high	6 Å²	6	37.7 Å²	37.7	3%	0.031	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	152.4	164.3	-73.8	164.7	0	0	0	108.9	A204 K261 V262 L288 E470 F471	A204-L291 HydrophobicContact CB-CD2 4Å; K261-L291 HydrophobicContact CD-CD2 4.21Å; K261-L291 HydrophobicContact CG-CD2 4.21Å; V262-L291 CarbonylContact O-C 3.54Å; V262-L291 WeakPolarHBondContact O-CA 3.37Å; L288-L291 HydrophobicContact CD1-CD2 4.24Å; L288-L291 HydrophobicContact CD1-CG 4.46Å; L288-L291 HydrophobicContact CD2-CD1 4.19Å; L288-L291 HydrophobicContact CD2-CD2 4.06Å; L288-L291 HydrophobicContact CD2-CG 3.94Å; L291-E470 HydrophobicContact CD1-CB 4.31Å; L291-F471 HydrophobicContact CB-CD1 3.67Å; L291-F471 HydrophobicContact CB-CE1 3.58Å; L291-F471 HydrophobicContact CB-CG 4.46Å; L291-F471 HydrophobicContact CB-CZ 4.31Å; L291-F471 WeakPolarHBondContact O-CD1 3.49Å
292	Y	95.6	Very high	91.4	Very high	7 Å²	7	32 Å²	32	3%	0.027	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	133.6	177.5	-61.7	-74.3	0	0	0	111.2	V252 K261 V262 V264 A290 T296 V302	V252-Y292 HydrophobicContact CG1-CD2 3.89Å; V252-Y292 HydrophobicContact CG1-CG 4.06Å; K261-Y292 CarbonylContact C-O 3.57Å; K261-Y292 WeakPolarHBondContact CA-O 3.46Å; V262-Y292 PolarHBondContact N-O 3.37Å; V262-Y292 PolarHBondContact O-N 3.15Å; V264-Y292 HydrophobicContact CB-CE2 4.36Å; V264-Y292 HydrophobicContact CG2-CD2 3.99Å; V264-Y292 HydrophobicContact CG2-CE2 3.7Å; A290-Y292 HydrophobicContact CB-CD2 4.46Å; A290-Y292 HydrophobicContact CB-CE2 3.59Å; A290-Y292 WeakPolarHBondContact CB-OH 3.46Å; Y292-T296 WeakPolarHBondContact CD1-O 3.27Å; Y292-V302 HydrophobicContact CD1-CG1 3.97Å; Y292-V302 HydrophobicContact CD1-CG2 4.17Å; Y292-V302 HydrophobicContact CD2-CG1 4.21Å; Y292-V302 HydrophobicContact CE1-CB 4.41Å; Y292-V302 HydrophobicContact CE1-CG1 3.8Å; Y292-V302 HydrophobicContact CE1-CG2 3.66Å; Y292-V302 HydrophobicContact CE2-CG1 4.04Å; Y292-V302 HydrophobicContact CG-CG1 4.17Å
293	T	95.1	Very high	91.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.152	C	C	.	.			trans	-138.3	178.3	173.6	61.1	0	0	0	0	109.2	V256 K261 S295 T296 L297 E383 F471	V256-T293 WeakPolarHBondContact CG1-O 3.28Å; K261-T293 HydrophobicContact CB-CG2 3.96Å; K261-T293 HydrophobicContact CD-CG2 4.42Å; K261-T293 HydrophobicContact CG-CG2 3.72Å; T293-S295 PolarHBondContact O-N 2.92Å; T293-T296 PolarHBondContact N-OG1 2.67Å; T293-T296 PolarHBondContact O-N 3.1Å; T293-T296 VanDerWaalsContact O-N 3.09Å; T293-T296 PolarHBondContact O-OG1 3.48Å; T293-T296 PolarHBondContact OG1-OG1 3.07Å; T293-L297 VanDerWaalsContact O-CD1 3.26Å; T293-L297 WeakPolarHBondContact O-CD1 3.5Å; T293-E383 WeakPolarHBondContact CB-OE1 3.35Å; T293-E383 WeakPolarHBondContact CB-OE2 3.3Å; T293-E383 VanDerWaalsContact OG1-CD 3.32Å; T293-E383 PolarHBondContact OG1-OE1 3.17Å; T293-E383 VanDerWaalsContact OG1-OE1 3.11Å; T293-E383 PolarHBondContact OG1-OE2 3.22Å; T293-F471 HydrophobicContact CG2-CE1 3.94Å; T293-F471 HydrophobicContact CG2-CZ 3.76Å
294	K	91.8	Very high	91.1	Very high	10 Å²	10	28.2 Å²	28.2	4%	0.043	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-32.1	-173.7	-79.4	-159.8	166.4	-164.1	0	113.9	V256 A257 L297 V382 E383 D408 D409 R410	V256-K294 HydrophobicContact CG1-CG 4.29Å; V256-K294 WeakPolarHBondContact O-CG 3.47Å; A257-K294 WeakPolarHBondContact O-CE 3.35Å; A257-K294 PolarHBondContact O-NZ 3.3Å; K294-L297 WeakPolarHBondContact O-CD1 3.21Å; K294-V382 HydrophobicContact CB-CB 4.14Å; K294-V382 HydrophobicContact CB-CG2 3.91Å; K294-V382 HydrophobicContact CD-CB 4.44Å; K294-E383 PolarHBondContact N-OE2 2.89Å; K294-D408 PolarHBondContact NZ-O 2.9Å; K294-D409 IonicContact NZ-OD1 3.87Å; K294-R410 WeakPolarHBondContact CE-O 3.5Å; K294-R410 PolarHBondContact NZ-O 2.93Å
295	S	93.4	Very high	90.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-13.4	178.3	60.6	0	0	0	0	115	T293 E383	T293-S295 PolarHBondContact O-N 2.92Å; S295-E383 WeakPolarHBondContact CB-OE2 3.4Å; S295-E383 PolarHBondContact N-OE2 2.9Å; S295-E383 PolarHBondContact OG-OE2 3.34Å
296	T	94.2	Very high	89.7	Confident	1 Å²	1	28.7 Å²	28.7	1%	0.006	15%	0.145	C	C	.	.			trans	-115.6	27.5	-163.5	57.5	0	0	0	0	115.1	Y292 T293 I298 P353 F471 L473	Y292-T296 WeakPolarHBondContact CD1-O 3.27Å; T293-T296 PolarHBondContact N-OG1 2.67Å; T293-T296 PolarHBondContact O-N 3.1Å; T293-T296 VanDerWaalsContact O-N 3.09Å; T293-T296 PolarHBondContact O-OG1 3.48Å; T293-T296 PolarHBondContact OG1-OG1 3.07Å; T296-I298 PolarHBondContact O-N 3.26Å; T296-P353 HydrophobicContact CG2-CG 4.5Å; T296-F471 HydrophobicContact CG2-CD1 3.75Å; T296-F471 HydrophobicContact CG2-CD2 4.37Å; T296-F471 HydrophobicContact CG2-CE1 3.89Å; T296-F471 HydrophobicContact CG2-CG 4.02Å; T296-F471 HydrophobicContact CG2-CZ 4.28Å; T296-F471 WeakPolarHBondContact OG1-CD1 3.44Å; T296-F471 VanDerWaalsContact OG1-CE1 3.24Å; T296-F471 WeakPolarHBondContact OG1-CE1 3.41Å; T296-L473 HydrophobicContact CG2-CD1 3.85Å
297	L	90.8	Very high	88.2	Confident	32 Å²	32	37 Å²	37	17%	0.168	18%	0.177	C	C	.	.			trans	-71.6	66	178.8	-68	92.7	0	0	0	113.6	R253 V256 T293 K294 V302 N303	R253-L297 HydrophobicContact CG-CD2 3.79Å; V256-L297 HydrophobicContact CG1-CD1 3.94Å; V256-L297 HydrophobicContact CG1-CG 4.37Å; T293-L297 VanDerWaalsContact O-CD1 3.26Å; T293-L297 WeakPolarHBondContact O-CD1 3.5Å; K294-L297 WeakPolarHBondContact O-CD1 3.21Å; L297-V302 HydrophobicContact CB-CG2 4.48Å; L297-N303 PolarHBondContact O-ND2 3.33Å; L297-N303 PolarHBondContact O-OD1 3.32Å
298	I	89.8	Confident	86.2	Confident	9 Å²	9	34.5 Å²	34.5	5%	0.046	17%	0.169	C	C	.	.			trans	-118.3	116.7	-174.6	-47.1	-59	0	0	0	111	T296 P353 A354 L473 K590	T296-I298 PolarHBondContact O-N 3.26Å; I298-P353 VanDerWaalsContact CD1-O 3.24Å; I298-P353 WeakPolarHBondContact CD1-O 3.36Å; I298-P353 HydrophobicContact CG1-CB 4.28Å; I298-A354 HydrophobicContact CD1-CB 4.33Å; I298-L473 HydrophobicContact CB-CD2 4.13Å; I298-L473 HydrophobicContact CG1-CD1 4.31Å; I298-L473 HydrophobicContact CG1-CD2 4.15Å; I298-L473 HydrophobicContact CG2-CD2 4.21Å; I298-K590 HydrophobicContact CG2-CD 4.33Å
299	G	86.6	Confident	83.7	Confident	2 Å²	2	40.5 Å²	40.5	2%	0.021	20%	0.201	C	C	.	.	S	Bend	trans	129.4	168.9	165.9	0	0	0	0	0	115.6	D301 V302 N303 K590	G299-D301 PolarHBondContact O-N 3.5Å; G299-D301 VanDerWaalsContact O-N 3.14Å; G299-V302 WeakPolarHBondContact O-CG2 3.38Å; G299-V302 PolarHBondContact O-N 2.75Å; G299-N303 PolarHBondContact O-N 3.47Å; G299-K590 CarbonylContact C-O 3.53Å; G299-K590 VanDerWaalsContact CA-O 3.24Å; G299-K590 WeakPolarHBondContact CA-O 3.48Å
300	E	87.1	Confident	81.1	Confident	90 Å²	90	46.7 Å²	46.7	42%	0.421	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-26.2	-173.5	63.6	180	176.9	0	0	114.8	V302 K590 S592	E300-V302 PolarHBondContact O-N 3.3Å; E300-K590 PolarHBondContact N-O 2.92Å; E300-S592 WeakPolarHBondContact OE2-CA 3.49Å; E300-S592 WeakPolarHBondContact OE2-CB 3.32Å
301	D	88	Confident	79.3	Confident	33 Å²	33	48 Å²	48	18%	0.176	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-17.7	176.6	-77.1	-43.4	0	0	0	114.3	L248 F249 K266 G299	L248-D301 HydrophobicContact CD2-CB 3.87Å; F249-D301 VanDerWaalsContact CA-O 3.3Å; F249-D301 WeakPolarHBondContact CA-O 3.43Å; F249-D301 VanDerWaalsContact CB-O 3.3Å; F249-D301 WeakPolarHBondContact CB-O 3.12Å; F249-D301 PolarHBondContact N-O 3.08Å; K266-D301 WeakPolarHBondContact CE-OD1 3.14Å; K266-D301 WeakPolarHBondContact CE-OD2 3.36Å; K266-D301 IonicContact NZ-OD1 2.67Å; K266-D301 PolarHBondContact NZ-OD1 3.46Å; K266-D301 IonicContact NZ-OD2 3.81Å; K266-D301 PolarHBondContact NZ-OD2 3.46Å; G299-D301 PolarHBondContact O-N 3.5Å; G299-D301 VanDerWaalsContact O-N 3.14Å
302	V	87.1	Confident	77.8	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.5	-21.1	-175.3	-65.9	0	0	0	0	114.6	V252 R253 Y292 L297 G299 E300 P304	V252-V302 HydrophobicContact CB-CG1 4.19Å; V252-V302 HydrophobicContact CG1-CG1 3.71Å; R253-V302 WeakPolarHBondContact CD-O 3.47Å; R253-V302 PolarHBondContact NH1-O 3.24Å; Y292-V302 HydrophobicContact CD1-CG1 3.97Å; Y292-V302 HydrophobicContact CD1-CG2 4.17Å; Y292-V302 HydrophobicContact CD2-CG1 4.21Å; Y292-V302 HydrophobicContact CE1-CB 4.41Å; Y292-V302 HydrophobicContact CE1-CG1 3.8Å; Y292-V302 HydrophobicContact CE1-CG2 3.66Å; Y292-V302 HydrophobicContact CE2-CG1 4.04Å; Y292-V302 HydrophobicContact CG-CG1 4.17Å; L297-V302 HydrophobicContact CB-CG2 4.48Å; G299-V302 WeakPolarHBondContact O-CG2 3.38Å; G299-V302 PolarHBondContact O-N 2.75Å; E300-V302 PolarHBondContact O-N 3.3Å; V302-P304 WeakPolarHBondContact O-CD 3.36Å
303	N	84.2	Confident	76.4	Confident	10 Å²	10	51.1 Å²	51.1	5%	0.053	26%	0.26	C	S	.	.			trans	-110.3	80.7	-176.2	-66.7	-20.9	0	0	0	111.5	L297 G299 I314	L297-N303 PolarHBondContact O-ND2 3.33Å; L297-N303 PolarHBondContact O-OD1 3.32Å; G299-N303 PolarHBondContact O-N 3.47Å; N303-I314 HydrophobicContact CB-CG2 4.28Å
304	P	83.5	Confident	74.7	Confident	29 Å²	29	51.2 Å²	51.2	19%	0.188	26%	0.26	C	S	.	.			trans	-69.1	152.6	171.5	33.6	-38.5	0	0	0	111	F249 V302 I306	F249-P304 HydrophobicContact CD2-CB 4.39Å; F249-P304 HydrophobicContact CD2-CG 3.67Å; F249-P304 HydrophobicContact CE2-CB 4.29Å; F249-P304 HydrophobicContact CE2-CG 3.73Å; F249-P304 HydrophobicContact CG-CG 4.31Å; F249-P304 HydrophobicContact CZ-CG 4.43Å; V302-P304 WeakPolarHBondContact O-CD 3.36Å; P304-I306 HydrophobicContact CG-CD1 4.24Å; P304-I306 HydrophobicContact CG-CG1 4.2Å
305	L	79.4	Confident	73.1	Confident	49 Å²	49	52.5 Å²	52.5	26%	0.257	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	127.5	164	-61.5	-175.8	0	0	0	109.7	V312 I314 Q594 E595 L598	L305-V312 HydrophobicContact CB-CG1 4.26Å; L305-I314 HydrophobicContact CD2-CG1 3.97Å; L305-Q594 HydrophobicContact CD1-CB 3.75Å; L305-E595 HydrophobicContact CD2-CB 4.36Å; L305-L598 HydrophobicContact CD1-CD2 4.28Å; L305-L598 HydrophobicContact CD2-CD2 3.72Å
306	I	75.3	Confident	71.4	Confident	61 Å²	61	56.2 Å²	56.2	31%	0.313	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	153	179.4	-58.7	-167.6	0	0	0	109.1	P304 L308 N313 D315	P304-I306 HydrophobicContact CG-CD1 4.24Å; P304-I306 HydrophobicContact CG-CG1 4.2Å; I306-L308 HydrophobicContact CB-CD1 4.35Å; I306-L308 HydrophobicContact CG2-CD1 4Å; I306-N313 PolarHBondContact N-O 2.78Å; I306-N313 PolarHBondContact O-N 2.81Å; I306-N313 VanDerWaalsContact O-O 3.13Å; I306-D315 HydrophobicContact CD1-CB 3.65Å; I306-D315 VanDerWaalsContact CD1-CG 3.4Å; I306-D315 HydrophobicContact CG1-CB 4.02Å
307	R	61.5	Low	69.6	Low	210 Å²	210	58.2 Å²	58.2	79%	0.792	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.1	119.9	168.9	-62.5	-173.5	-173.4	-179	2.5	109.3	S311 V312	R307-S311 VanDerWaalsContact CA-O 3.28Å; R307-S311 WeakPolarHBondContact CA-O 3.25Å; R307-V312 HydrophobicContact CG-CG2 4.35Å
308	L	51.7	Low	67.8	Low	69 Å²	69	62.1 Å²	62.1	36%	0.361	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	118.2	164.6	-78	83.5	0	0	0	106.4	I306 D310 S311 N313	I306-L308 HydrophobicContact CB-CD1 4.35Å; I306-L308 HydrophobicContact CG2-CD1 4Å; L308-D310 PolarHBondContact O-N 3.05Å; L308-S311 PolarHBondContact N-O 3.07Å; L308-S311 WeakPolarHBondContact O-CA 3.49Å; L308-S311 WeakPolarHBondContact O-CB 3.44Å; L308-S311 PolarHBondContact O-N 3.11Å; L308-S311 PolarHBondContact O-OG 3.48Å; L308-N313 HydrophobicContact CD1-CB 4.48Å
309	D	41.1	Very low	66.2	Low	169 Å²	169	63 Å²	63	90%	0.904	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	36.1	77.6	171	-59.6	-10.4	0	0	0	114.6	S311	D309-S311 PolarHBondContact O-N 2.82Å
310	D	38.2	Very low	64.5	Low	184 Å²	184	66.2 Å²	66.2	98%	0.984	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	-9.7	-175.2	-70.8	-28.8	0	0	0	117.6	L308	L308-D310 PolarHBondContact O-N 3.05Å
311	S	55.3	Low	63.2	Low	38 Å²	38	63.1 Å²	63.1	27%	0.266	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	163.3	170.8	82.9	0	0	0	0	112.8	R307 L308 D309	R307-S311 VanDerWaalsContact CA-O 3.28Å; R307-S311 WeakPolarHBondContact CA-O 3.25Å; L308-S311 PolarHBondContact N-O 3.07Å; L308-S311 WeakPolarHBondContact O-CA 3.49Å; L308-S311 WeakPolarHBondContact O-CB 3.44Å; L308-S311 PolarHBondContact O-N 3.11Å; L308-S311 PolarHBondContact O-OG 3.48Å; D309-S311 PolarHBondContact O-N 2.82Å
312	V	64.4	Low	62.2	Low	60 Å²	60	63.1 Å²	63.1	36%	0.364	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	119	169.2	-176	0	0	0	0	107.7	L305 R307 L598	L305-V312 HydrophobicContact CB-CG1 4.26Å; R307-V312 HydrophobicContact CG-CG2 4.35Å; V312-L598 HydrophobicContact CB-CD1 4.36Å; V312-L598 HydrophobicContact CG1-CD1 4.48Å; V312-L598 HydrophobicContact CG1-CD2 4.03Å
313	N	65.2	Low	61.9	Low	17 Å²	17	63.2 Å²	63.2	9%	0.091	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	160.3	-177.5	-159.5	0.2	0	0	0	111.2	I306 L308 P577 D578	I306-N313 PolarHBondContact N-O 2.78Å; I306-N313 PolarHBondContact O-N 2.81Å; I306-N313 VanDerWaalsContact O-O 3.13Å; L308-N313 HydrophobicContact CD1-CB 4.48Å; N313-P577 HydrophobicContact CB-CB 4.5Å; N313-P577 WeakPolarHBondContact OD1-CA 3.22Å; N313-P577 VanDerWaalsContact OD1-CB 3.28Å; N313-P577 WeakPolarHBondContact OD1-CB 3.44Å; N313-D578 PolarHBondContact OD1-N 2.93Å
314	I	61.4	Low	62	Low	2 Å²	2	63.2 Å²	63.2	1%	0.01	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	129.7	162.7	-61.5	169.9	0	0	0	106.5	N303 L305 E316 E595 I599	N303-I314 HydrophobicContact CB-CG2 4.28Å; L305-I314 HydrophobicContact CD2-CG1 3.97Å; I314-E316 PolarHBondContact O-N 3.48Å; I314-E595 HydrophobicContact CD1-CG 4.02Å; I314-E595 HydrophobicContact CG1-CG 4.44Å; I314-I599 HydrophobicContact CD1-CD1 4.16Å
315	D	57	Low	62.5	Low	37 Å²	37	62 Å²	62	20%	0.198	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-52.3	133.8	-174.4	-172.7	26.1	0	0	0	112.9	R253 I306 R581	R253-D315 IonicContact CZ-OD2 3.57Å; R253-D315 IonicContact NH1-OD2 3.91Å; R253-D315 PolarHBondContact NH1-OD2 3.06Å; R253-D315 IonicContact NH2-OD2 2.62Å; R253-D315 PolarHBondContact NH2-OD2 2.94Å; I306-D315 HydrophobicContact CD1-CB 3.65Å; I306-D315 VanDerWaalsContact CD1-CG 3.4Å; I306-D315 HydrophobicContact CG1-CB 4.02Å; D315-R581 VanDerWaalsContact O-CZ 3.28Å; D315-R581 PolarHBondContact O-NH1 2.74Å; D315-R581 PolarHBondContact O-NH2 2.82Å
316	E	58.5	Low	63.3	Low	78 Å²	78	59.7 Å²	59.7	36%	0.364	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-68.3	166.3	-175.4	-67	-156.4	142.6	0	0	112.1	R253 I314	R253-E316 PolarHBondContact NH2-O 3.01Å; I314-E316 PolarHBondContact O-N 3.48Å
317	V	56.5	Low	64.4	Low	43 Å²	43	56.9 Å²	56.9	26%	0.261	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-74.4	142.9	-177.3	-171.9	0	0	0	0	109.7	T319 N324	V317-T319 VanDerWaalsContact C-N 3.3Å; V317-T319 HydrophobicContact CG1-CG2 4.46Å; V317-T319 VanDerWaalsContact CG1-OG1 3.24Å; V317-T319 WeakPolarHBondContact CG1-OG1 3.5Å; V317-T319 PolarHBondContact O-N 2.81Å; V317-N324 WeakPolarHBondContact CG1-ND2 3.39Å; V317-N324 WeakPolarHBondContact CG1-OD1 3.38Å
318	M	52.4	Low	66.1	Low	115 Å²	115	46.9 Å²	46.9	57%	0.567	26%	0.256	S	S	*	.	S	Bend	trans	-82.6	-1.7	-175.4	-62.8	178.8	61.3	0	0	114.7	R253	R253-M318 HydrophobicContact CB-SD 3.99Å
319	T	55	Low	68.2	Low	26 Å²	26	43.6 Å²	43.6	16%	0.16	24%	0.239	C	C	.	.	S	Bend	trans	-89.5	151.5	178.7	50.6	0	0	0	0	110.6	V317 T321 V382 D409	V317-T319 VanDerWaalsContact C-N 3.3Å; V317-T319 HydrophobicContact CG1-CG2 4.46Å; V317-T319 VanDerWaalsContact CG1-OG1 3.24Å; V317-T319 WeakPolarHBondContact CG1-OG1 3.5Å; V317-T319 PolarHBondContact O-N 2.81Å; T319-T321 PolarHBondContact O-N 3.37Å; T319-T321 PolarHBondContact OG1-O 3.04Å; T319-V382 HydrophobicContact CG2-CG1 4.09Å; T319-D409 VanDerWaalsContact CG2-OD1 3.27Å; T319-D409 WeakPolarHBondContact CG2-OD1 3.37Å
320	D	52.3	Low	70.7	Confident	71 Å²	71	37.4 Å²	37.4	38%	0.38	20%	0.203	S	C	.	.	S	Bend	trans	-65.9	-34.9	174.4	-146.1	81.6	0	0	0	111.1	D409 K513 T514	D320-D409 PolarHBondContact N-OD2 3.16Å; D320-K513 HydrophobicContact CB-CD 4.32Å; D320-K513 VanDerWaalsContact CG-NZ 3.25Å; D320-K513 WeakPolarHBondContact OD1-CD 3.32Å; D320-K513 WeakPolarHBondContact OD1-CE 3.27Å; D320-K513 IonicContact OD1-NZ 3.66Å; D320-K513 PolarHBondContact OD1-NZ 2.88Å; D320-K513 WeakPolarHBondContact OD2-CD 3.29Å; D320-K513 IonicContact OD2-NZ 3.25Å; D320-T514 PolarHBondContact OD2-N 3.01Å
321	T	58.4	Low	73.2	Confident	24 Å²	24	28.9 Å²	28.9	15%	0.147	16%	0.157	C	C	.	.	S	Bend	trans	-67.4	130.1	170.2	-42.9	0	0	0	0	110.4	T319 T323 Q380	T319-T321 PolarHBondContact O-N 3.37Å; T319-T321 PolarHBondContact OG1-O 3.04Å; T321-T323 VanDerWaalsContact CG2-OG1 3.22Å; T321-T323 WeakPolarHBondContact CG2-OG1 3.36Å; T321-T323 PolarHBondContact O-N 2.84Å; T321-Q380 HydrophobicContact CG2-CB 3.74Å
322	S	67.2	Low	74.6	Confident	33 Å²	33	28.7 Å²	28.7	23%	0.231	15%	0.152	C	C	.	.	S	Bend	trans	-71.4	8	176.7	56.6	0	0	0	0	115.4
323	T	81.1	Confident	75	Confident	2 Å²	2	32.2 Å²	32.2	1%	0.012	16%	0.163	C	C	.	.			trans	-139.8	136.1	-170	54.2	0	0	0	0	112.2	T321 Y325 R532 K535	T321-T323 VanDerWaalsContact CG2-OG1 3.22Å; T321-T323 WeakPolarHBondContact CG2-OG1 3.36Å; T321-T323 PolarHBondContact O-N 2.84Å; T323-Y325 HydrophobicContact CG2-CE2 3.96Å; T323-R532 HydrophobicContact CG2-CG 4.18Å; T323-K535 HydrophobicContact CG2-CD 4.11Å; T323-K535 PolarHBondContact OG1-NZ 3.46Å
324	N	86.4	Confident	74.8	Confident	10 Å²	10	35.8 Å²	35.8	5%	0.053	18%	0.179	C	C	.	.			trans	-111	57.2	-178.1	-82	-19.5	0	0	0	111.9	V317 L326 V382	V317-N324 WeakPolarHBondContact CG1-ND2 3.39Å; V317-N324 WeakPolarHBondContact CG1-OD1 3.38Å; N324-L326 PolarHBondContact O-N 2.74Å; N324-V382 HydrophobicContact CB-CG2 4.19Å
325	Y	93.8	Very high	74.3	Confident	5 Å²	5	40.6 Å²	40.6	2%	0.02	21%	0.205	C	C	.	.			trans	-71.6	131.2	178.3	-71.9	-79.9	0	0	0	112.3	T323 V351 Q352 E357 V359 L379 P381 V382 E383	T323-Y325 HydrophobicContact CG2-CE2 3.96Å; Y325-V351 WeakPolarHBondContact CA-O 3.29Å; Y325-Q352 HydrophobicContact CD1-CB 3.81Å; Y325-Q352 HydrophobicContact CE1-CB 3.79Å; Y325-Q352 HydrophobicContact CG-CB 4.44Å; Y325-E357 PolarHBondContact OH-OE2 3.37Å; Y325-V359 HydrophobicContact CE1-CG2 4.25Å; Y325-L379 HydrophobicContact CD1-CD1 3.98Å; Y325-L379 HydrophobicContact CD1-CD2 4.09Å; Y325-L379 HydrophobicContact CD1-CG 4.06Å; Y325-L379 HydrophobicContact CD2-CD1 3.77Å; Y325-L379 HydrophobicContact CD2-CD2 4.39Å; Y325-L379 HydrophobicContact CD2-CG 3.59Å; Y325-L379 WeakPolarHBondContact CD2-O 3.3Å; Y325-L379 HydrophobicContact CE1-CD1 3.85Å; Y325-L379 HydrophobicContact CE1-CG 4.44Å; Y325-L379 HydrophobicContact CE2-CD1 3.6Å; Y325-L379 HydrophobicContact CE2-CG 3.97Å; Y325-L379 HydrophobicContact CG-CD1 3.95Å; Y325-L379 HydrophobicContact CG-CD2 3.92Å; Y325-L379 HydrophobicContact CG-CG 3.63Å; Y325-P381 CarbonylContact O-C 3.49Å; Y325-P381 WeakPolarHBondContact O-CA 3.11Å; Y325-P381 WeakPolarHBondContact O-CB 3.43Å; Y325-V382 PolarHBondContact O-N 3.49Å; Y325-E383 PolarHBondContact O-N 2.86Å
326	L	96.7	Very high	74	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	123	154.1	175.7	68.8	0	0	0	107.7	N324 G350 V351 E383 L385 Y467 L468	N324-L326 PolarHBondContact O-N 2.74Å; L326-G350 CarbonylContact O-C 3.53Å; L326-G350 WeakPolarHBondContact O-CA 3.48Å; L326-V351 HydrophobicContact CB-CG2 3.89Å; L326-V351 HydrophobicContact CD2-CG2 3.89Å; L326-V351 HydrophobicContact CG-CG2 4.26Å; L326-V351 PolarHBondContact N-O 3.06Å; L326-V351 PolarHBondContact O-N 3.18Å; L326-E383 CarbonylContact C-O 3.57Å; L326-E383 WeakPolarHBondContact CA-O 3.45Å; L326-E383 HydrophobicContact CD1-CB 3.78Å; L326-E383 HydrophobicContact CD1-CG 3.59Å; L326-L385 HydrophobicContact CD1-CB 4.21Å; L326-Y467 HydrophobicContact CD1-CE1 4.16Å; L326-Y467 HydrophobicContact CD2-CD1 3.76Å; L326-Y467 HydrophobicContact CD2-CE1 4.03Å; L326-L468 HydrophobicContact CD2-CD1 3.71Å
327	L	97.4	Very high	73.7	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	114	177.3	-178.1	64.4	0	0	0	111	I329 I348 I376 L379 P381 E383 L384 L385	L327-I329 HydrophobicContact CD2-CD1 4.2Å; L327-I329 HydrophobicContact CD2-CG1 4.24Å; L327-I329 HydrophobicContact CG-CD1 4.4Å; L327-I329 HydrophobicContact CG-CG1 4.01Å; L327-I348 HydrophobicContact CD1-CB 3.97Å; L327-I348 HydrophobicContact CD1-CD1 4.25Å; L327-I376 HydrophobicContact CD2-CG1 3.99Å; L327-L379 HydrophobicContact CB-CD2 4.5Å; L327-L379 HydrophobicContact CD1-CD2 3.91Å; L327-L379 HydrophobicContact CD2-CD2 4.49Å; L327-P381 HydrophobicContact CB-CB 3.73Å; L327-P381 HydrophobicContact CB-CG 4.09Å; L327-P381 HydrophobicContact CD2-CG 4.03Å; L327-E383 PolarHBondContact N-O 3.34Å; L327-L384 HydrophobicContact CB-CD2 3.86Å; L327-L384 HydrophobicContact CD2-CD2 4.28Å; L327-L384 HydrophobicContact CG-CD2 4.41Å; L327-L384 WeakPolarHBondContact O-CA 3.46Å; L327-L385 PolarHBondContact O-N 3.02Å
328	C	97.7	Very high	73.4	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	134.5	169.4	-170.4	0	0	0	0	110.2	I348 V349 L385 A460 V464	C328-I348 VanDerWaalsContact O-CA 3.3Å; C328-I348 WeakPolarHBondContact O-CA 3.25Å; C328-V349 HydrophobicContact CB-CB 4.41Å; C328-V349 WeakPolarHBondContact CB-O 3.26Å; C328-V349 PolarHBondContact N-O 3.22Å; C328-V349 PolarHBondContact O-N 2.92Å; C328-L385 WeakPolarHBondContact CA-O 3.2Å; C328-L385 HydrophobicContact CB-CB 4.1Å; C328-L385 HydrophobicContact CB-CD2 4.38Å; C328-A460 HydrophobicContact CB-CB 4.36Å; C328-A460 PolarHBondContact SG-O 3.43Å; C328-V464 HydrophobicContact CB-CG2 3.31Å
329	I	96.1	Very high	73.3	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	125.1	-178.2	-55.7	165.9	0	0	0	109.1	L327 V346 I348 L372 I376 L384 L385 L386 P387	L327-I329 HydrophobicContact CD2-CD1 4.2Å; L327-I329 HydrophobicContact CD2-CG1 4.24Å; L327-I329 HydrophobicContact CG-CD1 4.4Å; L327-I329 HydrophobicContact CG-CG1 4.01Å; I329-V346 HydrophobicContact CG2-CG1 3.97Å; I329-I348 HydrophobicContact CB-CG2 4.42Å; I329-I348 HydrophobicContact CG1-CG2 4.04Å; I329-I348 HydrophobicContact CG2-CG2 4.28Å; I329-L372 HydrophobicContact CD1-CD1 3.98Å; I329-L372 HydrophobicContact CG1-CD1 4.25Å; I329-L372 HydrophobicContact CG2-CD1 4.07Å; I329-L372 HydrophobicContact CG2-CD2 4.1Å; I329-I376 HydrophobicContact CD1-CD1 4.36Å; I329-L384 HydrophobicContact CD1-CD2 4.28Å; I329-L385 PolarHBondContact N-O 2.96Å; I329-L386 HydrophobicContact CB-CD2 3.92Å; I329-L386 HydrophobicContact CD1-CD2 4.03Å; I329-L386 HydrophobicContact CG1-CD2 4.3Å; I329-P387 VanDerWaalsContact O-CD 3.28Å; I329-P387 WeakPolarHBondContact O-CD 3.42Å
330	Y	94.4	Very high	73.1	Confident	39 Å²	39	63 Å²	63	15%	0.153	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	137	171.9	176	-99.1	0	0	0	110.8	E332 V346 G347 P387 F421 P456 C459	Y330-E332 HydrophobicContact CE1-CB 4.41Å; Y330-V346 WeakPolarHBondContact O-CA 3.3Å; Y330-G347 PolarHBondContact N-O 3.21Å; Y330-G347 PolarHBondContact O-N 2.84Å; Y330-P387 HydrophobicContact CD2-CG 4.24Å; Y330-F421 HydrophobicContact CD2-CB 3.64Å; Y330-F421 AromaticContact CD2-CD1 3.77Å; Y330-F421 HydrophobicContact CD2-CD1 3.77Å; Y330-F421 HydrophobicContact CD2-CG 4.02Å; Y330-F421 HydrophobicContact CE2-CB 3.68Å; Y330-F421 HydrophobicContact CG-CD1 4.27Å; Y330-P456 HydrophobicContact CD1-CB 3.95Å; Y330-P456 HydrophobicContact CE1-CB 4.43Å; Y330-C459 HydrophobicContact CD1-CB 3.47Å; Y330-C459 VanDerWaalsContact CD1-CB 3.47Å; Y330-C459 HydrophobicContact CD2-CB 4.21Å; Y330-C459 HydrophobicContact CE1-CB 3.64Å; Y330-C459 HydrophobicContact CE2-CB 4.35Å; Y330-C459 HydrophobicContact CG-CB 3.76Å
331	E	90.9	Very high	73.3	Confident	5 Å²	5	67 Å²	67	2%	0.023	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	129.4	177.3	44.6	163	-120.9	0	0	110.6	L344 S345 L390 S391 T394	E331-L344 HydrophobicContact CB-CD1 4.09Å; E331-L344 HydrophobicContact CB-CD2 3.91Å; E331-L344 HydrophobicContact CG-CD2 4.47Å; E331-S345 WeakPolarHBondContact CA-O 3.42Å; E331-L390 HydrophobicContact CG-CD2 3.7Å; E331-S391 WeakPolarHBondContact OE1-CB 3.35Å; E331-S391 PolarHBondContact OE1-N 2.74Å; E331-S391 PolarHBondContact OE1-OG 3.42Å; E331-S391 WeakPolarHBondContact OE2-CB 3.44Å; E331-S391 PolarHBondContact OE2-N 2.96Å; E331-S391 PolarHBondContact OE2-OG 2.92Å; E331-T394 VanDerWaalsContact OE2-CB 3.29Å; E331-T394 WeakPolarHBondContact OE2-CB 3.26Å; E331-T394 PolarHBondContact OE2-OG1 2.74Å
332	E	84.4	Confident	73.6	Confident	35 Å²	35	67.2 Å²	67.2	16%	0.164	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	122.4	-179.4	-161.6	171.1	-164.4	0	0	110.9	Y330 E334 S345 K455 P456	Y330-E332 HydrophobicContact CE1-CB 4.41Å; E332-E334 HydrophobicContact CG-CG 4.12Å; E332-E334 PolarHBondContact O-N 2.86Å; E332-S345 PolarHBondContact N-O 3.31Å; E332-K455 IonicContact OE1-NZ 3Å; E332-K455 PolarHBondContact OE1-NZ 2.93Å; E332-K455 IonicContact OE2-NZ 2.6Å; E332-K455 PolarHBondContact OE2-NZ 3.17Å; E332-P456 HydrophobicContact CB-CG 4.12Å
333	K	71.1	Confident	74	Confident	133 Å²	133	69.2 Å²	69.2	58%	0.578	33%	0.329	S	S	*	.			trans	-83.4	63.7	-177.2	-64.4	178.6	-175.2	173.5	0	111	D389	K333-D389 PolarHBondContact NZ-O 3.17Å
334	E	62.4	Low	74.3	Confident	92 Å²	92	70.3 Å²	70.3	43%	0.43	33%	0.334	S	S	.	.			trans	-68.1	179.7	-177.2	-94.2	-80.5	150.9	0	0	114.6	E332	E332-E334 HydrophobicContact CG-CG 4.12Å; E332-E334 PolarHBondContact O-N 2.86Å
335	N	50.6	Low	74.4	Confident	104 Å²	104	71 Å²	71	56%	0.556	34%	0.34	S	S	*	.			trans	-69.5	163.5	-149.1	-79.8	-79.8	0	0	0	118.2	K337 D338	N335-K337 PolarHBondContact O-N 2.56Å; N335-D338 PolarHBondContact O-N 3.18Å; N335-D338 VanDerWaalsContact O-N 3.12Å
336	I	51.3	Low	74.4	Confident	144 Å²	144	70.8 Å²	70.8	74%	0.738	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-25.4	-174.2	-63.4	173.2	0	0	0	114
337	K	50.8	Low	74.3	Confident	183 Å²	183	70.8 Å²	70.8	80%	0.796	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-42.1	-179.9	-67.9	-178.4	179.5	176.4	0	112.3	N335	N335-K337 PolarHBondContact O-N 2.56Å
338	D	49.8	Very low	74.3	Confident	79 Å²	79	70.9 Å²	70.9	42%	0.422	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-88.5	-10.7	-171.2	-64.4	-76.6	0	0	0	113.9	N335 K340 K341 G342	N335-D338 PolarHBondContact O-N 3.18Å; N335-D338 VanDerWaalsContact O-N 3.12Å; D338-K340 PolarHBondContact O-N 3.38Å; D338-K341 PolarHBondContact O-N 2.99Å; D338-G342 PolarHBondContact O-N 3.11Å
339	K	50.8	Low	74.3	Confident	165 Å²	165	71 Å²	71	72%	0.717	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-50.7	-22.2	162.5	-73.3	-171.1	174.6	-178.7	0	113.7
340	K	51.6	Low	74.3	Confident	197 Å²	197	71 Å²	71	86%	0.857	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-78	-12.1	174.9	-70.4	-171	175	-175.3	0	115	D338	D338-K340 PolarHBondContact O-N 3.38Å
341	K	56.2	Low	74.4	Confident	155 Å²	155	69.2 Å²	69.2	67%	0.674	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.5	-25.5	179.2	-70.4	-176.5	177.4	178.4	0	113.9	D338 N343	D338-K341 PolarHBondContact O-N 2.99Å; K341-N343 VanDerWaalsContact C-N 3.28Å; K341-N343 PolarHBondContact O-N 3.22Å
342	G	64.6	Low	74.6	Confident	29 Å²	29	69.1 Å²	69.1	30%	0.299	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	8	179	0	0	0	0	0	115	D338 R369	D338-G342 PolarHBondContact O-N 3.11Å; G342-R369 PolarHBondContact O-NH1 3.23Å; G342-R369 VanDerWaalsContact O-NH1 3.15Å
343	N	76.4	Confident	75	Confident	75 Å²	75	67.5 Å²	67.5	40%	0.401	33%	0.326	S	S	.	.			trans	-66.7	147.3	165.3	-65.5	17.3	0	0	0	109.7	K341 D365	K341-N343 VanDerWaalsContact C-N 3.28Å; K341-N343 PolarHBondContact O-N 3.22Å; N343-D365 VanDerWaalsContact CA-O 3.28Å; N343-D365 WeakPolarHBondContact CA-O 3.18Å
344	L	86	Confident	75.9	Confident	26 Å²	26	61.6 Å²	61.6	14%	0.136	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	167	166.6	52.1	63.6	0	0	0	111.6	E331 V346 Q364 D365	E331-L344 HydrophobicContact CB-CD1 4.09Å; E331-L344 HydrophobicContact CB-CD2 3.91Å; E331-L344 HydrophobicContact CG-CD2 4.47Å; L344-V346 HydrophobicContact CD1-CG2 3.35Å; L344-Q364 WeakPolarHBondContact O-CA 3.41Å; L344-D365 PolarHBondContact N-O 2.85Å; L344-D365 PolarHBondContact O-N 3.17Å
345	S	90.2	Very high	77.3	Confident	24 Å²	24	57.6 Å²	57.6	17%	0.168	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	134.9	171.7	-164.5	0	0	0	0	110.1	E331 E332	E331-S345 WeakPolarHBondContact CA-O 3.42Å; E332-S345 PolarHBondContact N-O 3.31Å
346	V	93.4	Very high	79.2	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.006	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	128.5	176.1	-173.4	0	0	0	0	109	I329 Y330 L344 I348 C362 F363 D365 L372	I329-V346 HydrophobicContact CG2-CG1 3.97Å; Y330-V346 WeakPolarHBondContact O-CA 3.3Å; L344-V346 HydrophobicContact CD1-CG2 3.35Å; V346-I348 HydrophobicContact CG1-CG2 3.97Å; V346-C362 WeakPolarHBondContact O-CA 3.29Å; V346-F363 HydrophobicContact CB-CD2 4.13Å; V346-F363 HydrophobicContact CB-CE2 3.66Å; V346-F363 HydrophobicContact CB-CZ 3.92Å; V346-F363 HydrophobicContact CG1-CE2 4.12Å; V346-F363 HydrophobicContact CG1-CZ 3.91Å; V346-F363 HydrophobicContact CG2-CE2 3.98Å; V346-F363 PolarHBondContact N-O 2.8Å; V346-F363 PolarHBondContact O-N 3.3Å; V346-D365 HydrophobicContact CG2-CB 4.23Å; V346-L372 HydrophobicContact CG1-CD1 4.39Å
347	G	95	Very high	81.1	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	134.9	164.7	0	0	0	0	0	109.8	Y330 P456	Y330-G347 PolarHBondContact N-O 3.21Å; Y330-G347 PolarHBondContact O-N 2.84Å; G347-P456 VanDerWaalsContact N-CB 3.33Å
348	I	96.3	Very high	83.2	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.01	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	145.4	172.8	61.7	170.6	0	0	0	111.3	L327 C328 I329 V346 F360 D361 F363 L372 R375 L486	L327-I348 HydrophobicContact CD1-CB 3.97Å; L327-I348 HydrophobicContact CD1-CD1 4.25Å; C328-I348 VanDerWaalsContact O-CA 3.3Å; C328-I348 WeakPolarHBondContact O-CA 3.25Å; I329-I348 HydrophobicContact CB-CG2 4.42Å; I329-I348 HydrophobicContact CG1-CG2 4.04Å; I329-I348 HydrophobicContact CG2-CG2 4.28Å; V346-I348 HydrophobicContact CG1-CG2 3.97Å; I348-F360 WeakPolarHBondContact O-CA 3.28Å; I348-D361 HydrophobicContact CD1-CB 3.81Å; I348-D361 HydrophobicContact CG1-CB 3.58Å; I348-D361 PolarHBondContact N-O 3.32Å; I348-D361 PolarHBondContact O-N 2.74Å; I348-D361 VanDerWaalsContact O-N 3.08Å; I348-F363 HydrophobicContact CD1-CE1 4.03Å; I348-F363 HydrophobicContact CG1-CE1 4.18Å; I348-F363 HydrophobicContact CG2-CE1 4.39Å; I348-F363 HydrophobicContact CG2-CZ 4.47Å; I348-L372 HydrophobicContact CG2-CD1 4.11Å; I348-R375 HydrophobicContact CD1-CB 3.75Å; I348-R375 HydrophobicContact CD1-CG 3.78Å; I348-L486 HydrophobicContact CD1-CD2 4.04Å
349	V	97.2	Very high	85.3	Confident	3 Å²	3	35.4 Å²	35.4	2%	0.018	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	106.2	170.3	176.1	0	0	0	0	107.6	C328 V351 V359 F360 V457 A460 L461 V464	C328-V349 HydrophobicContact CB-CB 4.41Å; C328-V349 WeakPolarHBondContact CB-O 3.26Å; C328-V349 PolarHBondContact N-O 3.22Å; C328-V349 PolarHBondContact O-N 2.92Å; V349-V351 HydrophobicContact CG1-CG1 4.14Å; V349-V359 CarbonylContact C-O 3.35Å; V349-V359 WeakPolarHBondContact CA-O 3.42Å; V349-F360 HydrophobicContact CG2-CB 4.38Å; V349-V457 HydrophobicContact CG2-CG1 3.87Å; V349-A460 HydrophobicContact CB-CB 4.21Å; V349-A460 HydrophobicContact CG2-CB 3.81Å; V349-L461 HydrophobicContact CG1-CD1 4.33Å; V349-L461 HydrophobicContact CG2-CB 4.16Å; V349-V464 HydrophobicContact CB-CG2 4.25Å; V349-V464 HydrophobicContact CG1-CB 4.47Å; V349-V464 HydrophobicContact CG1-CG2 4.02Å
350	G	96.6	Very high	87.4	Confident	1 Å²	1	29.2 Å²	29.2	1%	0.01	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	133.1	174	0	0	0	0	0	110.3	L326 V359	L326-G350 CarbonylContact O-C 3.53Å; L326-G350 WeakPolarHBondContact O-CA 3.48Å; G350-V359 PolarHBondContact N-O 3.48Å; G350-V359 WeakPolarHBondContact O-CA 3.17Å; G350-V359 PolarHBondContact O-N 2.84Å
351	V	95.9	Very high	89.5	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	143.7	176.4	-61.6	0	0	0	0	111.3	Y325 L326 V349 E357 V358 V464 L468 M476 L477	Y325-V351 WeakPolarHBondContact CA-O 3.29Å; L326-V351 HydrophobicContact CB-CG2 3.89Å; L326-V351 HydrophobicContact CD2-CG2 3.89Å; L326-V351 HydrophobicContact CG-CG2 4.26Å; L326-V351 PolarHBondContact N-O 3.06Å; L326-V351 PolarHBondContact O-N 3.18Å; V349-V351 HydrophobicContact CG1-CG1 4.14Å; V351-E357 WeakPolarHBondContact CA-O 3.35Å; V351-V358 HydrophobicContact CG1-CB 4.47Å; V351-V358 HydrophobicContact CG1-CG1 4.11Å; V351-V358 HydrophobicContact CG1-CG2 4.2Å; V351-V464 HydrophobicContact CG1-CG1 4.03Å; V351-V464 HydrophobicContact CG2-CG1 4.1Å; V351-L468 HydrophobicContact CG2-CD2 4.35Å; V351-M476 HydrophobicContact CB-CE 3.55Å; V351-M476 HydrophobicContact CG1-CE 4.03Å; V351-M476 HydrophobicContact CG2-CE 3.98Å; V351-L477 HydrophobicContact CG1-CD2 4.26Å
352	Q	95.1	Very high	91.2	Very high	4 Å²	4	14.2 Å²	14.2	2%	0.019	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	90.2	174.6	-176.9	164.8	-102.6	0	0	109.7	Y325 A354 T355 G356 E357	Y325-Q352 HydrophobicContact CD1-CB 3.81Å; Y325-Q352 HydrophobicContact CE1-CB 3.79Å; Y325-Q352 HydrophobicContact CG-CB 4.44Å; Q352-A354 HydrophobicContact CG-CB 4.07Å; Q352-A354 PolarHBondContact O-N 3.47Å; Q352-T355 HydrophobicContact CG-CG2 4.45Å; Q352-T355 PolarHBondContact NE2-OG1 2.87Å; Q352-T355 PolarHBondContact O-N 3.45Å; Q352-G356 PolarHBondContact O-N 2.84Å; Q352-E357 PolarHBondContact N-O 3.24Å
353	P	93.3	Very high	92.5	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-17.4	179.2	-23.4	33.3	0	0	0	114.2	T296 I298 L473 M476	T296-P353 HydrophobicContact CG2-CG 4.5Å; I298-P353 VanDerWaalsContact CD1-O 3.24Å; I298-P353 WeakPolarHBondContact CD1-O 3.36Å; I298-P353 HydrophobicContact CG1-CB 4.28Å; P353-L473 HydrophobicContact CB-CD1 4.09Å; P353-M476 HydrophobicContact CB-SD 4.2Å; P353-M476 HydrophobicContact CG-CE 4.2Å; P353-M476 HydrophobicContact CG-SD 4.44Å
354	A	90.8	Very high	93.1	Very high	9 Å²	9	17.2 Å²	17.2	7%	0.074	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-27	172.5	0	0	0	0	0	113.9	I298 Q352 R581	I298-A354 HydrophobicContact CD1-CB 4.33Å; Q352-A354 HydrophobicContact CG-CB 4.07Å; Q352-A354 PolarHBondContact O-N 3.47Å; A354-R581 HydrophobicContact CB-CG 4.37Å; A354-R581 VanDerWaalsContact O-CA 3.29Å; A354-R581 WeakPolarHBondContact O-CA 3.15Å; A354-R581 VanDerWaalsContact O-CG 3.25Å; A354-R581 WeakPolarHBondContact O-CG 3.36Å
355	T	91	Very high	93.2	Very high	8 Å²	8	16.2 Å²	16.2	5%	0.049	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.4	3.3	-178.2	65.2	0	0	0	0	113.6	Q352 E357 E580 C584	Q352-T355 HydrophobicContact CG-CG2 4.45Å; Q352-T355 PolarHBondContact NE2-OG1 2.87Å; Q352-T355 PolarHBondContact O-N 3.45Å; T355-E357 PolarHBondContact O-N 2.81Å; T355-E357 VanDerWaalsContact O-N 3.14Å; T355-E580 WeakPolarHBondContact CB-OE1 3.43Å; T355-E580 VanDerWaalsContact CG2-CD 3.45Å; T355-E580 HydrophobicContact CG2-CG 3.86Å; T355-E580 WeakPolarHBondContact CG2-OE2 3.39Å; T355-C584 WeakPolarHBondContact CA-SG 3.39Å; T355-C584 PolarHBondContact O-SG 2.94Å
356	G	90.5	Very high	93	Very high	11 Å²	11	15.9 Å²	15.9	11%	0.113	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	10.5	-176.6	0	0	0	0	0	114.1	Q352 C584	Q352-G356 PolarHBondContact O-N 2.84Å; G356-C584 PolarHBondContact N-SG 2.88Å
357	E	92.3	Very high	92.5	Very high	25 Å²	25	17.8 Å²	17.8	12%	0.117	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	130.9	-179.5	-171.5	170.7	-132.2	0	0	110.7	Y325 V351 Q352 T355 V359 K484	Y325-E357 PolarHBondContact OH-OE2 3.37Å; V351-E357 WeakPolarHBondContact CA-O 3.35Å; Q352-E357 PolarHBondContact N-O 3.24Å; T355-E357 PolarHBondContact O-N 2.81Å; T355-E357 VanDerWaalsContact O-N 3.14Å; E357-V359 HydrophobicContact CG-CG2 4.12Å; E357-K484 WeakPolarHBondContact OE1-CD 3.26Å; E357-K484 WeakPolarHBondContact OE1-CE 3.47Å; E357-K484 IonicContact OE1-NZ 3.37Å; E357-K484 PolarHBondContact OE1-NZ 2.99Å
358	V	94.3	Very high	91.7	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.006	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	129	178.2	-179.2	0	0	0	0	109	V351 M476 L477 F483 K484	V351-V358 HydrophobicContact CG1-CB 4.47Å; V351-V358 HydrophobicContact CG1-CG1 4.11Å; V351-V358 HydrophobicContact CG1-CG2 4.2Å; V358-M476 HydrophobicContact CG2-CE 4.44Å; V358-L477 HydrophobicContact CG1-CD2 4.4Å; V358-L477 HydrophobicContact CG2-CD2 3.77Å; V358-F483 HydrophobicContact CB-CD1 3.56Å; V358-F483 HydrophobicContact CB-CE1 3.89Å; V358-F483 HydrophobicContact CB-CG 4.1Å; V358-F483 HydrophobicContact CG1-CB 4.3Å; V358-F483 HydrophobicContact CG1-CD1 3.47Å; V358-F483 VanDerWaalsContact CG1-CD1 3.47Å; V358-F483 HydrophobicContact CG1-CD2 3.93Å; V358-F483 HydrophobicContact CG1-CE1 3.66Å; V358-F483 HydrophobicContact CG1-CE2 4.1Å; V358-F483 HydrophobicContact CG1-CG 3.62Å; V358-F483 HydrophobicContact CG1-CZ 3.97Å; V358-F483 HydrophobicContact CG2-CD1 4.07Å; V358-F483 HydrophobicContact CG2-CE1 3.92Å; V358-K484 PolarHBondContact O-N 2.88Å
359	V	94.5	Very high	91.3	Very high	8 Å²	8	18.9 Å²	18.9	5%	0.048	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	136.7	-172.9	176.6	0	0	0	0	108.6	Y325 V349 G350 E357 K484 L486	Y325-V359 HydrophobicContact CE1-CG2 4.25Å; V349-V359 CarbonylContact C-O 3.35Å; V349-V359 WeakPolarHBondContact CA-O 3.42Å; G350-V359 PolarHBondContact N-O 3.48Å; G350-V359 WeakPolarHBondContact O-CA 3.17Å; G350-V359 PolarHBondContact O-N 2.84Å; E357-V359 HydrophobicContact CG-CG2 4.12Å; V359-K484 CarbonylContact C-O 3.5Å; V359-K484 VanDerWaalsContact CA-O 3.28Å; V359-K484 WeakPolarHBondContact CA-O 3.3Å; V359-L486 HydrophobicContact CG1-CB 3.59Å; V359-L486 HydrophobicContact CG1-CD1 3.93Å; V359-L486 HydrophobicContact CG1-CD2 4.07Å; V359-L486 HydrophobicContact CG1-CG 4.06Å
360	F	94.9	Very high	90.8	Very high	35 Å²	35	19.5 Å²	19.5	15%	0.154	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	157.9	174.6	70	-82.7	0	0	0	111.8	I348 V349 L453 V457 F483 K484 Q485 L486	I348-F360 WeakPolarHBondContact O-CA 3.28Å; V349-F360 HydrophobicContact CG2-CB 4.38Å; F360-L453 HydrophobicContact CD2-CD2 4.18Å; F360-L453 HydrophobicContact CE2-CD2 3.68Å; F360-L453 HydrophobicContact CZ-CD2 3.98Å; F360-V457 HydrophobicContact CB-CG1 3.89Å; F360-V457 HydrophobicContact CD2-CG1 4.12Å; F360-V457 HydrophobicContact CG-CG1 4.31Å; F360-F483 HydrophobicContact CD1-CB 3.94Å; F360-F483 HydrophobicContact CE1-CB 3.87Å; F360-K484 WeakPolarHBondContact CD1-O 3.42Å; F360-K484 PolarHBondContact N-O 2.66Å; F360-Q485 HydrophobicContact CE1-CB 4.37Å; F360-Q485 HydrophobicContact CE2-CB 4.24Å; F360-Q485 HydrophobicContact CE2-CG 4.32Å; F360-Q485 HydrophobicContact CZ-CB 3.98Å; F360-Q485 CarbonylContact O-C 3.6Å; F360-Q485 WeakPolarHBondContact O-CA 3.37Å; F360-L486 PolarHBondContact O-N 3.29Å
361	D	94.4	Very high	90.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	150.5	173.8	-144.7	24.6	0	0	0	110.1	I348 F363 R375 V457 L486 S487	I348-D361 HydrophobicContact CD1-CB 3.81Å; I348-D361 HydrophobicContact CG1-CB 3.58Å; I348-D361 PolarHBondContact N-O 3.32Å; I348-D361 PolarHBondContact O-N 2.74Å; I348-D361 VanDerWaalsContact O-N 3.08Å; D361-F363 HydrophobicContact CB-CD1 4.33Å; D361-F363 HydrophobicContact CB-CE1 4.49Å; D361-R375 IonicContact OD2-CZ 3.68Å; D361-R375 VanDerWaalsContact OD2-CZ 3.29Å; D361-R375 IonicContact OD2-NE 3.37Å; D361-R375 PolarHBondContact OD2-NE 3.06Å; D361-R375 IonicContact OD2-NH2 3.84Å; D361-R375 PolarHBondContact OD2-NH2 2.94Å; D361-R375 VanDerWaalsContact OD2-NH2 3.09Å; D361-V457 WeakPolarHBondContact O-CG2 3.49Å; D361-L486 HydrophobicContact CB-CB 3.97Å; D361-S487 PolarHBondContact OD1-N 3.42Å; D361-S487 VanDerWaalsContact OD1-N 3.17Å; D361-S487 PolarHBondContact OD1-OG 2.72Å; D361-S487 WeakPolarHBondContact OD2-CB 3.4Å; D361-S487 PolarHBondContact OD2-OG 3.02Å
362	C	93.1	Very high	90.3	Very high	36 Å²	36	20.4 Å²	20.4	24%	0.243	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	127.7	171.7	-166.2	0	0	0	0	109.1	V346 E454 V457	V346-C362 WeakPolarHBondContact O-CA 3.29Å; C362-E454 HydrophobicContact CB-CB 3.92Å; C362-E454 HydrophobicContact CB-CG 4.05Å; C362-E454 VanDerWaalsContact SG-CB 3.57Å; C362-V457 HydrophobicContact CB-CG2 3.78Å
363	F	91.1	Very high	90.1	Very high	17 Å²	17	20.8 Å²	20.8	8%	0.075	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	152.6	-177.5	53.6	-95.2	0	0	0	112	V346 I348 D361 D365 E371 L372 R375	V346-F363 HydrophobicContact CB-CD2 4.13Å; V346-F363 HydrophobicContact CB-CE2 3.66Å; V346-F363 HydrophobicContact CB-CZ 3.92Å; V346-F363 HydrophobicContact CG1-CE2 4.12Å; V346-F363 HydrophobicContact CG1-CZ 3.91Å; V346-F363 HydrophobicContact CG2-CE2 3.98Å; V346-F363 PolarHBondContact N-O 2.8Å; V346-F363 PolarHBondContact O-N 3.3Å; I348-F363 HydrophobicContact CD1-CE1 4.03Å; I348-F363 HydrophobicContact CG1-CE1 4.18Å; I348-F363 HydrophobicContact CG2-CE1 4.39Å; I348-F363 HydrophobicContact CG2-CZ 4.47Å; D361-F363 HydrophobicContact CB-CD1 4.33Å; D361-F363 HydrophobicContact CB-CE1 4.49Å; F363-D365 HydrophobicContact CD2-CB 4.11Å; F363-D365 HydrophobicContact CE2-CB 4.09Å; F363-E371 HydrophobicContact CD2-CB 3.29Å; F363-E371 HydrophobicContact CD2-CG 3.91Å; F363-E371 HydrophobicContact CE2-CB 3.36Å; F363-E371 HydrophobicContact CE2-CG 4.45Å; F363-E371 HydrophobicContact CG-CB 4.05Å; F363-E371 HydrophobicContact CG-CG 4.43Å; F363-E371 HydrophobicContact CZ-CB 4.19Å; F363-L372 HydrophobicContact CE2-CB 4.21Å; F363-L372 HydrophobicContact CZ-CB 4.2Å; F363-L372 HydrophobicContact CZ-CD1 4.18Å; F363-R375 HydrophobicContact CE1-CG 3.76Å; F363-R375 HydrophobicContact CZ-CG 4.15Å
364	Q	89.5	Confident	90	Very high	151 Å²	151	21.3 Å²	21.3	71%	0.706	12%	0.12	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86	131	166.8	-64.1	-174.4	8.3	0	0	109.3	L344	L344-Q364 WeakPolarHBondContact O-CA 3.41Å
365	D	88.9	Confident	90.1	Very high	4 Å²	4	22 Å²	22	2%	0.021	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	148.5	179	-156	-14.2	0	0	0	110.9	N343 L344 V346 F363 R369 L370 E371 L372	N343-D365 VanDerWaalsContact CA-O 3.28Å; N343-D365 WeakPolarHBondContact CA-O 3.18Å; L344-D365 PolarHBondContact N-O 2.85Å; L344-D365 PolarHBondContact O-N 3.17Å; V346-D365 HydrophobicContact CG2-CB 4.23Å; F363-D365 HydrophobicContact CD2-CB 4.11Å; F363-D365 HydrophobicContact CE2-CB 4.09Å; D365-R369 WeakPolarHBondContact OD1-CA 3.3Å; D365-R369 WeakPolarHBondContact OD2-CA 3.47Å; D365-L370 PolarHBondContact OD1-N 3.4Å; D365-L370 VanDerWaalsContact OD1-N 3.17Å; D365-E371 HydrophobicContact CB-CB 4.22Å; D365-E371 PolarHBondContact OD1-N 2.85Å; D365-E371 PolarHBondContact OD2-N 3.17Å; D365-L372 WeakPolarHBondContact OD2-CB 3.39Å; D365-L372 PolarHBondContact OD2-N 3.09Å
366	S	84.9	Confident	90.2	Very high	18 Å²	18	22.3 Å²	22.3	13%	0.126	12%	0.122	C	C	.	.			trans	-91.3	178.8	-178	82.7	0	0	0	0	111.8	S368 R369	S366-S368 PolarHBondContact O-N 3.48Å; S366-S368 PolarHBondContact OG-OG 3.15Å; S366-R369 PolarHBondContact O-N 3.32Å; S366-R369 PolarHBondContact O-NH1 2.58Å
367	A	82.4	Confident	90.2	Very high	41 Å²	41	23 Å²	23	34%	0.339	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-6.3	-178.7	0	0	0	0	0	115.3
368	S	79.3	Confident	90.1	Very high	19 Å²	19	22.8 Å²	22.8	13%	0.133	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-21	170.9	53.7	0	0	0	0	114.1	S366 L370	S366-S368 PolarHBondContact O-N 3.48Å; S366-S368 PolarHBondContact OG-OG 3.15Å; S368-L370 WeakPolarHBondContact OG-CD1 3.44Å; S368-L370 WeakPolarHBondContact OG-CG 3.37Å
369	R	88.2	Confident	90	Very high	6 Å²	6	23.2 Å²	23.2	2%	0.023	13%	0.129	C	C	.	.			trans	63.2	37.4	-174.9	-57.7	-63.9	-172.9	-104.6	-4.3	115.3	G342 D365 S366 E373 S391 P393 T394 L397	G342-R369 PolarHBondContact O-NH1 3.23Å; G342-R369 VanDerWaalsContact O-NH1 3.15Å; D365-R369 WeakPolarHBondContact OD1-CA 3.3Å; D365-R369 WeakPolarHBondContact OD2-CA 3.47Å; S366-R369 PolarHBondContact O-N 3.32Å; S366-R369 PolarHBondContact O-NH1 2.58Å; R369-E373 VanDerWaalsContact O-CB 3.3Å; R369-E373 WeakPolarHBondContact O-CB 3.25Å; R369-E373 PolarHBondContact O-N 3.35Å; R369-S391 PolarHBondContact NH2-OG 2.89Å; R369-P393 HydrophobicContact CG-CB 4.01Å; R369-T394 PolarHBondContact NE-OG1 3.24Å; R369-L397 HydrophobicContact CB-CD2 3.75Å
370	L	86.2	Confident	89.8	Confident	16 Å²	16	24.1 Å²	24.1	8%	0.084	13%	0.133	C	C	.	.	H	α-helix	trans	-72.1	-29.7	-176.1	-73.7	170.1	0	0	0	113.5	D365 S368 T374 E919	D365-L370 PolarHBondContact OD1-N 3.4Å; D365-L370 VanDerWaalsContact OD1-N 3.17Å; S368-L370 WeakPolarHBondContact OG-CD1 3.44Å; S368-L370 WeakPolarHBondContact OG-CG 3.37Å; L370-T374 WeakPolarHBondContact O-CB 3.36Å; L370-T374 PolarHBondContact O-N 3.13Å; L370-T374 PolarHBondContact O-OG1 3.34Å; L370-E919 HydrophobicContact CD1-CB 4.21Å; L370-E919 HydrophobicContact CD1-CG 4.15Å
371	E	89.3	Confident	89.7	Confident	19 Å²	19	22.7 Å²	22.7	9%	0.089	13%	0.127	C	C	.	.	H	α-helix	trans	-69.1	-47.3	173.7	-75.4	-54.6	94.2	0	0	110.9	F363 D365 E373 T374 R375 R923	F363-E371 HydrophobicContact CD2-CB 3.29Å; F363-E371 HydrophobicContact CD2-CG 3.91Å; F363-E371 HydrophobicContact CE2-CB 3.36Å; F363-E371 HydrophobicContact CE2-CG 4.45Å; F363-E371 HydrophobicContact CG-CB 4.05Å; F363-E371 HydrophobicContact CG-CG 4.43Å; F363-E371 HydrophobicContact CZ-CB 4.19Å; D365-E371 HydrophobicContact CB-CB 4.22Å; D365-E371 PolarHBondContact OD1-N 2.85Å; D365-E371 PolarHBondContact OD2-N 3.17Å; E371-E373 VanDerWaalsContact C-N 3.33Å; E371-E373 PolarHBondContact O-N 3.25Å; E371-T374 WeakPolarHBondContact O-CA 3.44Å; E371-T374 VanDerWaalsContact O-CB 3.29Å; E371-T374 WeakPolarHBondContact O-CB 3.12Å; E371-T374 PolarHBondContact O-N 2.98Å; E371-T374 VanDerWaalsContact O-N 3.07Å; E371-R375 WeakPolarHBondContact O-CG 3.32Å; E371-R375 PolarHBondContact O-N 2.85Å; E371-R375 IonicContact OE1-NH1 3.59Å; E371-R375 IonicContact OE2-CZ 2.82Å; E371-R375 VanDerWaalsContact OE2-CZ 3.31Å; E371-R375 IonicContact OE2-NH1 2.66Å; E371-R375 PolarHBondContact OE2-NH1 3.15Å; E371-R375 IonicContact OE2-NH2 2.72Å; E371-R375 PolarHBondContact OE2-NH2 3.44Å; E371-R923 IonicContact OE1-CZ 3.61Å; E371-R923 IonicContact OE1-NH1 3.33Å; E371-R923 PolarHBondContact OE1-NH1 2.9Å; E371-R923 IonicContact OE1-NH2 2.65Å; E371-R923 PolarHBondContact OE1-NH2 3.08Å; E371-R923 IonicContact OE2-NH1 3.37Å
372	L	92.3	Very high	89.7	Confident	0 Å²	0	23 Å²	23	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.9	-40	178.4	-174.8	57.5	0	0	0	111.4	I329 V346 I348 F363 D365 T374 R375 I376 T394 L397	I329-L372 HydrophobicContact CD1-CD1 3.98Å; I329-L372 HydrophobicContact CG1-CD1 4.25Å; I329-L372 HydrophobicContact CG2-CD1 4.07Å; I329-L372 HydrophobicContact CG2-CD2 4.1Å; V346-L372 HydrophobicContact CG1-CD1 4.39Å; I348-L372 HydrophobicContact CG2-CD1 4.11Å; F363-L372 HydrophobicContact CE2-CB 4.21Å; F363-L372 HydrophobicContact CZ-CB 4.2Å; F363-L372 HydrophobicContact CZ-CD1 4.18Å; D365-L372 WeakPolarHBondContact OD2-CB 3.39Å; D365-L372 PolarHBondContact OD2-N 3.09Å; L372-T374 VanDerWaalsContact C-N 3.29Å; L372-T374 PolarHBondContact O-N 3.12Å; L372-R375 PolarHBondContact O-N 2.96Å; L372-I376 HydrophobicContact CD1-CD1 4.18Å; L372-I376 HydrophobicContact CD1-CG1 4.41Å; L372-I376 HydrophobicContact CG-CD1 3.97Å; L372-I376 WeakPolarHBondContact O-CB 3.17Å; L372-I376 VanDerWaalsContact O-CG1 3.28Å; L372-I376 WeakPolarHBondContact O-CG1 3.39Å; L372-I376 PolarHBondContact O-N 2.97Å; L372-T394 HydrophobicContact CD2-CG2 3.83Å; L372-L397 HydrophobicContact CB-CD2 3.98Å; L372-L397 HydrophobicContact CD2-CD2 4.11Å; L372-L397 HydrophobicContact CG-CD2 3.91Å
373	E	90.7	Very high	89.8	Confident	12 Å²	12	21.2 Å²	21.2	6%	0.056	12%	0.117	C	C	.	.	H	α-helix	trans	-62.4	-35.7	172.5	-172.2	161.1	-165.3	0	0	111.7	R369 E371 S377 L397 R400 R501	R369-E373 VanDerWaalsContact O-CB 3.3Å; R369-E373 WeakPolarHBondContact O-CB 3.25Å; R369-E373 PolarHBondContact O-N 3.35Å; E371-E373 VanDerWaalsContact C-N 3.33Å; E371-E373 PolarHBondContact O-N 3.25Å; E373-S377 VanDerWaalsContact O-CB 3.23Å; E373-S377 WeakPolarHBondContact O-CB 3.42Å; E373-S377 PolarHBondContact O-N 3.05Å; E373-S377 PolarHBondContact O-OG 3.31Å; E373-L397 HydrophobicContact CB-CD1 3.78Å; E373-L397 HydrophobicContact CB-CD2 3.96Å; E373-L397 HydrophobicContact CG-CD1 3.81Å; E373-R400 VanDerWaalsContact CD-NH1 3.29Å; E373-R400 IonicContact OE1-NH1 2.67Å; E373-R400 PolarHBondContact OE1-NH1 3.16Å; E373-R400 IonicContact OE2-NH1 3.26Å; E373-R400 PolarHBondContact OE2-NH1 2.8Å; E373-R501 IonicContact OE1-CZ 3.16Å; E373-R501 IonicContact OE1-NH1 2.66Å; E373-R501 PolarHBondContact OE1-NH1 3.2Å; E373-R501 IonicContact OE1-NH2 3.52Å; E373-R501 PolarHBondContact OE1-NH2 2.94Å; E373-R501 VanDerWaalsContact OE1-NH2 3.07Å
374	T	91.3	Very high	90	Very high	12 Å²	12	20.5 Å²	20.5	7%	0.074	11%	0.113	C	C	.	.	H	α-helix	trans	-65	-48.1	173.7	-59.5	0	0	0	0	112	L370 E371 L372 S377 S378 I495 G497	L370-T374 WeakPolarHBondContact O-CB 3.36Å; L370-T374 PolarHBondContact O-N 3.13Å; L370-T374 PolarHBondContact O-OG1 3.34Å; E371-T374 WeakPolarHBondContact O-CA 3.44Å; E371-T374 VanDerWaalsContact O-CB 3.29Å; E371-T374 WeakPolarHBondContact O-CB 3.12Å; E371-T374 PolarHBondContact O-N 2.98Å; E371-T374 VanDerWaalsContact O-N 3.07Å; L372-T374 VanDerWaalsContact C-N 3.29Å; L372-T374 PolarHBondContact O-N 3.12Å; T374-S377 PolarHBondContact O-N 3.41Å; T374-S378 WeakPolarHBondContact O-CB 3.4Å; T374-S378 PolarHBondContact O-N 2.87Å; T374-I495 WeakPolarHBondContact CG2-O 3.49Å; T374-G497 PolarHBondContact OG1-N 3.29Å
375	R	93.1	Very high	90.4	Very high	23 Å²	23	13.3 Å²	13.3	9%	0.087	8%	0.08	C	C	.	.	H	α-helix	trans	-66	-40.8	179.8	-57.7	-47	-173.7	-80.3	-5.4	112.1	I348 D361 F363 E371 L372 S378 L379 L486 S487	I348-R375 HydrophobicContact CD1-CB 3.75Å; I348-R375 HydrophobicContact CD1-CG 3.78Å; D361-R375 IonicContact OD2-CZ 3.68Å; D361-R375 VanDerWaalsContact OD2-CZ 3.29Å; D361-R375 IonicContact OD2-NE 3.37Å; D361-R375 PolarHBondContact OD2-NE 3.06Å; D361-R375 IonicContact OD2-NH2 3.84Å; D361-R375 PolarHBondContact OD2-NH2 2.94Å; D361-R375 VanDerWaalsContact OD2-NH2 3.09Å; F363-R375 HydrophobicContact CE1-CG 3.76Å; F363-R375 HydrophobicContact CZ-CG 4.15Å; E371-R375 WeakPolarHBondContact O-CG 3.32Å; E371-R375 PolarHBondContact O-N 2.85Å; E371-R375 IonicContact OE1-NH1 3.59Å; E371-R375 IonicContact OE2-CZ 2.82Å; E371-R375 VanDerWaalsContact OE2-CZ 3.31Å; E371-R375 IonicContact OE2-NH1 2.66Å; E371-R375 PolarHBondContact OE2-NH1 3.15Å; E371-R375 IonicContact OE2-NH2 2.72Å; E371-R375 PolarHBondContact OE2-NH2 3.44Å; L372-R375 PolarHBondContact O-N 2.96Å; R375-S378 PolarHBondContact O-N 2.93Å; R375-L379 VanDerWaalsContact O-CB 3.24Å; R375-L379 WeakPolarHBondContact O-CB 3.23Å; R375-L379 PolarHBondContact O-N 3.24Å; R375-L486 HydrophobicContact CB-CD2 4.25Å; R375-L486 HydrophobicContact CG-CD2 4.31Å; R375-S487 PolarHBondContact NH2-OG 2.89Å
376	I	92.6	Very high	90.7	Very high	14 Å²	14	13.1 Å²	13.1	7%	0.072	8%	0.079	C	C	.	.	H	α-helix	trans	-61.9	-43.3	173.6	-68.1	167.5	0	0	0	110.8	L327 I329 L372 Q380 P381 L397 A401	L327-I376 HydrophobicContact CD2-CG1 3.99Å; I329-I376 HydrophobicContact CD1-CD1 4.36Å; L372-I376 HydrophobicContact CD1-CD1 4.18Å; L372-I376 HydrophobicContact CD1-CG1 4.41Å; L372-I376 HydrophobicContact CG-CD1 3.97Å; L372-I376 WeakPolarHBondContact O-CB 3.17Å; L372-I376 VanDerWaalsContact O-CG1 3.28Å; L372-I376 WeakPolarHBondContact O-CG1 3.39Å; L372-I376 PolarHBondContact O-N 2.97Å; I376-Q380 WeakPolarHBondContact O-CA 3.39Å; I376-Q380 PolarHBondContact O-N 3.02Å; I376-P381 HydrophobicContact CG2-CG 4.4Å; I376-P381 WeakPolarHBondContact O-CD 3.33Å; I376-L397 HydrophobicContact CD1-CD2 4.32Å; I376-A401 HydrophobicContact CG2-CB 4.48Å
377	S	90.4	Very high	91.2	Very high	27 Å²	27	12.3 Å²	12.3	19%	0.189	7%	0.073	C	C	.	.	H	α-helix	trans	-70.4	-31.4	-178.4	-57.5	0	0	0	0	113.8	E373 T374 Q380	E373-S377 VanDerWaalsContact O-CB 3.23Å; E373-S377 WeakPolarHBondContact O-CB 3.42Å; E373-S377 PolarHBondContact O-N 3.05Å; E373-S377 PolarHBondContact O-OG 3.31Å; T374-S377 PolarHBondContact O-N 3.41Å; S377-Q380 WeakPolarHBondContact O-CG 3.48Å
378	S	91.2	Very high	91.7	Very high	20 Å²	20	13.2 Å²	13.2	14%	0.14	8%	0.077	C	C	.	.	H	α-helix	trans	-78.7	-49.3	176.6	-179.2	0	0	0	0	111.9	T374 R375	T374-S378 WeakPolarHBondContact O-CB 3.4Å; T374-S378 PolarHBondContact O-N 2.87Å; R375-S378 PolarHBondContact O-N 2.93Å
379	L	91.5	Very high	92.2	Very high	9 Å²	9	17.3 Å²	17.3	5%	0.047	10%	0.098	C	C	.	.	H	α-helix	trans	-74.1	-32.2	-175.4	-158.1	71.7	0	0	0	112.2	Y325 L327 R375 K535	Y325-L379 HydrophobicContact CD1-CD1 3.98Å; Y325-L379 HydrophobicContact CD1-CD2 4.09Å; Y325-L379 HydrophobicContact CD1-CG 4.06Å; Y325-L379 HydrophobicContact CD2-CD1 3.77Å; Y325-L379 HydrophobicContact CD2-CD2 4.39Å; Y325-L379 HydrophobicContact CD2-CG 3.59Å; Y325-L379 WeakPolarHBondContact CD2-O 3.3Å; Y325-L379 HydrophobicContact CE1-CD1 3.85Å; Y325-L379 HydrophobicContact CE1-CG 4.44Å; Y325-L379 HydrophobicContact CE2-CD1 3.6Å; Y325-L379 HydrophobicContact CE2-CG 3.97Å; Y325-L379 HydrophobicContact CG-CD1 3.95Å; Y325-L379 HydrophobicContact CG-CD2 3.92Å; Y325-L379 HydrophobicContact CG-CG 3.63Å; L327-L379 HydrophobicContact CB-CD2 4.5Å; L327-L379 HydrophobicContact CD1-CD2 3.91Å; L327-L379 HydrophobicContact CD2-CD2 4.49Å; R375-L379 VanDerWaalsContact O-CB 3.24Å; R375-L379 WeakPolarHBondContact O-CB 3.23Å; R375-L379 PolarHBondContact O-N 3.24Å; L379-K535 PolarHBondContact O-NZ 2.99Å
380	Q	90.9	Very high	92.2	Very high	28 Å²	28	18.3 Å²	18.3	13%	0.131	10%	0.103	C	C	.	.			trans	51.6	63.4	-175.8	-62.8	169.3	-56.1	0	0	112.6	T321 I376 S377	T321-Q380 HydrophobicContact CG2-CB 3.74Å; I376-Q380 WeakPolarHBondContact O-CA 3.39Å; I376-Q380 PolarHBondContact O-N 3.02Å; S377-Q380 WeakPolarHBondContact O-CG 3.48Å
381	P	93.5	Very high	92.4	Very high	4 Å²	4	18.9 Å²	18.9	3%	0.026	11%	0.109	C	C	.	.			trans	-70.7	139.5	-176.9	30.7	-35.8	0	0	0	112.8	Y325 L327 I376 L384	Y325-P381 CarbonylContact O-C 3.49Å; Y325-P381 WeakPolarHBondContact O-CA 3.11Å; Y325-P381 WeakPolarHBondContact O-CB 3.43Å; L327-P381 HydrophobicContact CB-CB 3.73Å; L327-P381 HydrophobicContact CB-CG 4.09Å; L327-P381 HydrophobicContact CD2-CG 4.03Å; I376-P381 HydrophobicContact CG2-CG 4.4Å; I376-P381 WeakPolarHBondContact O-CD 3.33Å; P381-L384 HydrophobicContact CB-CD2 4.1Å; P381-L384 HydrophobicContact CG-CD2 3.73Å
382	V	92.5	Very high	92.3	Very high	6 Å²	6	22.8 Å²	22.8	4%	0.036	13%	0.133	C	C	.	.	S	Bend	trans	-89.5	-16.3	177	-59.7	0	0	0	0	112.5	K294 T319 N324 Y325 R412	K294-V382 HydrophobicContact CB-CB 4.14Å; K294-V382 HydrophobicContact CB-CG2 3.91Å; K294-V382 HydrophobicContact CD-CB 4.44Å; T319-V382 HydrophobicContact CG2-CG1 4.09Å; N324-V382 HydrophobicContact CB-CG2 4.19Å; Y325-V382 PolarHBondContact O-N 3.49Å; V382-R412 PolarHBondContact O-N 2.92Å
383	E	95.1	Very high	92	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	136.2	-179.3	-167	166.4	-176.4	0	0	110.2	T293 K294 S295 Y325 L326 L327 R412 Y467	T293-E383 WeakPolarHBondContact CB-OE1 3.35Å; T293-E383 WeakPolarHBondContact CB-OE2 3.3Å; T293-E383 VanDerWaalsContact OG1-CD 3.32Å; T293-E383 PolarHBondContact OG1-OE1 3.17Å; T293-E383 VanDerWaalsContact OG1-OE1 3.11Å; T293-E383 PolarHBondContact OG1-OE2 3.22Å; K294-E383 PolarHBondContact N-OE2 2.89Å; S295-E383 WeakPolarHBondContact CB-OE2 3.4Å; S295-E383 PolarHBondContact N-OE2 2.9Å; S295-E383 PolarHBondContact OG-OE2 3.34Å; Y325-E383 PolarHBondContact O-N 2.86Å; L326-E383 CarbonylContact C-O 3.57Å; L326-E383 WeakPolarHBondContact CA-O 3.45Å; L326-E383 HydrophobicContact CD1-CB 3.78Å; L326-E383 HydrophobicContact CD1-CG 3.59Å; L327-E383 PolarHBondContact N-O 3.34Å; E383-R412 CarbonylContact C-O 3.58Å; E383-R412 VanDerWaalsContact CA-O 3.3Å; E383-R412 WeakPolarHBondContact CA-O 3.45Å; E383-R412 HydrophobicContact CB-CB 4.36Å; E383-R412 HydrophobicContact CG-CB 4Å; E383-R412 HydrophobicContact CG-CG 4.01Å; E383-R412 WeakPolarHBondContact OE1-CD 3.21Å; E383-R412 IonicContact OE1-NE 2.73Å; E383-R412 PolarHBondContact OE1-NE 2.65Å; E383-R412 VanDerWaalsContact OE1-NE 3.11Å; E383-Y467 PolarHBondContact OE1-OH 2.93Å
384	L	96.5	Very high	92	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131.5	176.8	-61.6	179.9	0	0	0	110.3	L327 I329 P381 L386 I398 I411 R412 E414	L327-L384 HydrophobicContact CB-CD2 3.86Å; L327-L384 HydrophobicContact CD2-CD2 4.28Å; L327-L384 HydrophobicContact CG-CD2 4.41Å; L327-L384 WeakPolarHBondContact O-CA 3.46Å; I329-L384 HydrophobicContact CD1-CD2 4.28Å; P381-L384 HydrophobicContact CB-CD2 4.1Å; P381-L384 HydrophobicContact CG-CD2 3.73Å; L384-L386 HydrophobicContact CB-CD1 4.46Å; L384-L386 HydrophobicContact CB-CD2 4.31Å; L384-L386 HydrophobicContact CB-CG 4.18Å; L384-I398 HydrophobicContact CD1-CG1 4.41Å; L384-I398 HydrophobicContact CD1-CG2 4.01Å; L384-I411 HydrophobicContact CD1-CG2 4.09Å; L384-I411 HydrophobicContact CG-CG2 3.75Å; L384-R412 PolarHBondContact N-O 3.19Å; L384-E414 PolarHBondContact O-N 3.33Å
385	L	97.1	Very high	91.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	115.2	173.4	-170.7	65.2	0	0	0	109.5	L326 L327 C328 I329 E414 M416 A463 V464 Y467	L326-L385 HydrophobicContact CD1-CB 4.21Å; L327-L385 PolarHBondContact O-N 3.02Å; C328-L385 WeakPolarHBondContact CA-O 3.2Å; C328-L385 HydrophobicContact CB-CB 4.1Å; C328-L385 HydrophobicContact CB-CD2 4.38Å; I329-L385 PolarHBondContact N-O 2.96Å; L385-E414 HydrophobicContact CD1-CB 3.8Å; L385-E414 HydrophobicContact CD1-CG 3.6Å; L385-M416 HydrophobicContact CD1-CG 3.94Å; L385-M416 HydrophobicContact CD1-SD 3.71Å; L385-M416 HydrophobicContact CD2-SD 4.15Å; L385-M416 HydrophobicContact CG-SD 4.2Å; L385-A463 HydrophobicContact CD2-CB 4.29Å; L385-V464 HydrophobicContact CD2-CG2 4.18Å; L385-Y467 HydrophobicContact CD1-CD1 4.15Å; L385-Y467 HydrophobicContact CD1-CD2 4.1Å; L385-Y467 HydrophobicContact CD1-CE1 4.43Å; L385-Y467 HydrophobicContact CD1-CE2 4.41Å; L385-Y467 HydrophobicContact CD1-CG 3.96Å; L385-Y467 HydrophobicContact CD2-CD1 4.23Å; L385-Y467 HydrophobicContact CD2-CG 4.14Å
386	L	96.6	Very high	91.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	150.1	-168.2	-58	179	0	0	0	112.6	I329 L384 L390 I398 V413 E414 R415 M416	I329-L386 HydrophobicContact CB-CD2 3.92Å; I329-L386 HydrophobicContact CD1-CD2 4.03Å; I329-L386 HydrophobicContact CG1-CD2 4.3Å; L384-L386 HydrophobicContact CB-CD1 4.46Å; L384-L386 HydrophobicContact CB-CD2 4.31Å; L384-L386 HydrophobicContact CB-CG 4.18Å; L386-L390 HydrophobicContact CB-CD1 4.2Å; L386-L390 HydrophobicContact CD1-CD1 4.12Å; L386-L390 HydrophobicContact CD2-CD1 4.13Å; L386-L390 HydrophobicContact CG-CD1 4.39Å; L386-I398 HydrophobicContact CD1-CD1 3.75Å; L386-I398 HydrophobicContact CD1-CG1 4.48Å; L386-I398 HydrophobicContact CD1-CG2 4.05Å; L386-I398 HydrophobicContact CD2-CD1 4.06Å; L386-V413 HydrophobicContact CD1-CG1 3.66Å; L386-V413 HydrophobicContact CG-CG1 4.44Å; L386-E414 PolarHBondContact N-O 2.61Å; L386-R415 WeakPolarHBondContact O-CA 3.27Å; L386-M416 PolarHBondContact O-N 2.93Å
387	P	95.1	Very high	91.4	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	155.2	159.8	-17.5	28.4	0	0	0	112.1	I329 Y330 L390 R415 M416 N418 F421	I329-P387 VanDerWaalsContact O-CD 3.28Å; I329-P387 WeakPolarHBondContact O-CD 3.42Å; Y330-P387 HydrophobicContact CD2-CG 4.24Å; P387-L390 HydrophobicContact CB-CD2 4.44Å; P387-L390 HydrophobicContact CG-CD2 4.01Å; P387-R415 WeakPolarHBondContact O-CD 3.11Å; P387-R415 PolarHBondContact O-NH1 3.47Å; P387-M416 CarbonylContact C-O 3.55Å; P387-M416 WeakPolarHBondContact CA-O 3.4Å; P387-N418 WeakPolarHBondContact CB-ND2 3.4Å; P387-F421 HydrophobicContact CB-CD2 4.03Å; P387-F421 HydrophobicContact CB-CE2 3.96Å; P387-F421 HydrophobicContact CB-CZ 4.43Å; P387-F421 HydrophobicContact CG-CD1 4.02Å; P387-F421 HydrophobicContact CG-CD2 3.89Å; P387-F421 HydrophobicContact CG-CE1 3.92Å; P387-F421 HydrophobicContact CG-CE2 3.79Å; P387-F421 HydrophobicContact CG-CG 3.99Å; P387-F421 HydrophobicContact CG-CZ 3.81Å
388	S	92.1	Very high	91.4	Very high	61 Å²	61	27.2 Å²	27.2	43%	0.427	16%	0.156	S	C	.	.	S	Bend	trans	-58.1	-50.5	167.4	-59.3	0	0	0	0	111.3	R415 M416 N418	S388-R415 PolarHBondContact O-NH1 2.86Å; S388-M416 PolarHBondContact N-O 3.1Å; S388-M416 PolarHBondContact OG-O 2.96Å; S388-N418 WeakPolarHBondContact CB-OD1 3.46Å; S388-N418 PolarHBondContact N-OD1 2.93Å; S388-N418 VanDerWaalsContact N-OD1 3.07Å
389	D	89.3	Confident	91.2	Very high	105 Å²	105	31 Å²	31	56%	0.561	17%	0.171	S	C	*	.			trans	-101	105.1	-176.4	-62.8	-26	0	0	0	113.1	K333 N418	K333-D389 PolarHBondContact NZ-O 3.17Å; D389-N418 PolarHBondContact N-OD1 3.48Å; D389-N418 PolarHBondContact O-ND2 3.43Å
390	L	90	Very high	90.9	Very high	26 Å²	26	33.1 Å²	33.1	14%	0.136	18%	0.179	C	C	.	.			trans	-114.7	160	172.3	-71	175.9	0	0	0	112.3	E331 L386 P387 T394 I398	E331-L390 HydrophobicContact CG-CD2 3.7Å; L386-L390 HydrophobicContact CB-CD1 4.2Å; L386-L390 HydrophobicContact CD1-CD1 4.12Å; L386-L390 HydrophobicContact CD2-CD1 4.13Å; L386-L390 HydrophobicContact CG-CD1 4.39Å; P387-L390 HydrophobicContact CB-CD2 4.44Å; P387-L390 HydrophobicContact CG-CD2 4.01Å; L390-T394 HydrophobicContact CD1-CG2 4.35Å; L390-I398 HydrophobicContact CD1-CD1 3.64Å
391	S	89.4	Confident	90.5	Very high	29 Å²	29	32.8 Å²	32.8	20%	0.203	18%	0.181	C	C	.	.			trans	-69.3	144	174.4	71.3	0	0	0	0	112.2	E331 R369 P393 T394 E395	E331-S391 WeakPolarHBondContact OE1-CB 3.35Å; E331-S391 PolarHBondContact OE1-N 2.74Å; E331-S391 PolarHBondContact OE1-OG 3.42Å; E331-S391 WeakPolarHBondContact OE2-CB 3.44Å; E331-S391 PolarHBondContact OE2-N 2.96Å; E331-S391 PolarHBondContact OE2-OG 2.92Å; R369-S391 PolarHBondContact NH2-OG 2.89Å; S391-P393 VanDerWaalsContact C-CD 3.43Å; S391-P393 VanDerWaalsContact C-N 3.35Å; S391-T394 WeakPolarHBondContact O-CB 3.37Å; S391-T394 PolarHBondContact O-N 2.84Å; S391-T394 PolarHBondContact OG-OG1 2.87Å; S391-E395 PolarHBondContact O-N 3.22Å
392	V	87.3	Confident	90.1	Very high	100 Å²	100	33.6 Å²	33.6	61%	0.606	19%	0.186	S	C	*	.	H	α-helix	trans	-52.2	-40.7	-176.2	-176.3	0	0	0	0	113.9	T394 M396	V392-T394 PolarHBondContact O-N 3.45Å; V392-M396 HydrophobicContact CG1-CE 3.84Å; V392-M396 HydrophobicContact CG1-CG 4.43Å; V392-M396 HydrophobicContact CG1-SD 4.28Å; V392-M396 WeakPolarHBondContact O-CB 3.44Å; V392-M396 VanDerWaalsContact O-CG 3.3Å; V392-M396 WeakPolarHBondContact O-CG 3.29Å; V392-M396 PolarHBondContact O-N 2.93Å
393	P	85.9	Confident	89.6	Confident	43 Å²	43	38.7 Å²	38.7	28%	0.279	21%	0.213	S	C	.	.	H	α-helix	trans	-64.4	-38.8	176.1	-21.7	34.5	0	0	0	113.4	R369 S391 L397	R369-P393 HydrophobicContact CG-CB 4.01Å; S391-P393 VanDerWaalsContact C-CD 3.43Å; S391-P393 VanDerWaalsContact C-N 3.35Å; P393-L397 PolarHBondContact O-N 2.93Å; P393-L397 VanDerWaalsContact O-N 3.14Å
394	T	90.1	Very high	88.6	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.006	24%	0.24	C	C	.	.	H	α-helix	trans	-68.1	-46.6	178.1	-54.1	0	0	0	0	110.3	E331 R369 L372 L390 S391 V392 M396 L397 I398	E331-T394 VanDerWaalsContact OE2-CB 3.29Å; E331-T394 WeakPolarHBondContact OE2-CB 3.26Å; E331-T394 PolarHBondContact OE2-OG1 2.74Å; R369-T394 PolarHBondContact NE-OG1 3.24Å; L372-T394 HydrophobicContact CD2-CG2 3.83Å; L390-T394 HydrophobicContact CD1-CG2 4.35Å; S391-T394 WeakPolarHBondContact O-CB 3.37Å; S391-T394 PolarHBondContact O-N 2.84Å; S391-T394 PolarHBondContact OG-OG1 2.87Å; V392-T394 PolarHBondContact O-N 3.45Å; T394-M396 PolarHBondContact O-N 2.84Å; T394-L397 WeakPolarHBondContact O-CB 3.38Å; T394-L397 PolarHBondContact O-N 2.88Å; T394-L397 VanDerWaalsContact O-N 3.12Å; T394-I398 HydrophobicContact CG2-CD1 3.96Å; T394-I398 WeakPolarHBondContact O-CD1 3.19Å; T394-I398 WeakPolarHBondContact O-CG1 3.36Å; T394-I398 PolarHBondContact O-N 3.11Å
395	E	90.5	Very high	87.2	Confident	44 Å²	44	44.2 Å²	44.2	21%	0.206	25%	0.248	C	C	.	.	H	α-helix	trans	-60.1	-42.5	176.2	-173.5	59.8	-139.5	0	0	111.8	S391 L397 I398 Q399 R415	S391-E395 PolarHBondContact O-N 3.22Å; E395-L397 VanDerWaalsContact C-N 3.34Å; E395-L397 PolarHBondContact O-N 3.44Å; E395-I398 PolarHBondContact O-N 2.88Å; E395-Q399 WeakPolarHBondContact O-CB 3.36Å; E395-Q399 VanDerWaalsContact O-CG 3.3Å; E395-Q399 WeakPolarHBondContact O-CG 3.35Å; E395-Q399 PolarHBondContact O-N 2.81Å; E395-Q399 PolarHBondContact OE1-NE2 3.47Å; E395-R415 VanDerWaalsContact CD-NH2 3.28Å; E395-R415 IonicContact OE1-NH2 2.65Å; E395-R415 PolarHBondContact OE1-NH2 3.04Å; E395-R415 VanDerWaalsContact OE1-NH2 3.09Å; E395-R415 IonicContact OE2-CZ 2.7Å; E395-R415 IonicContact OE2-NH1 3.01Å; E395-R415 PolarHBondContact OE2-NH1 2.89Å; E395-R415 VanDerWaalsContact OE2-NH1 3.17Å; E395-R415 IonicContact OE2-NH2 2.85Å; E395-R415 PolarHBondContact OE2-NH2 2.97Å
396	M	86.4	Confident	85.8	Confident	86 Å²	86	49.6 Å²	49.6	42%	0.424	28%	0.28	S	S	.	.	H	α-helix	trans	-63.1	-33.8	173.7	-77	-179.3	175	0	0	113.7	V392 T394 R400 K905	V392-M396 HydrophobicContact CG1-CE 3.84Å; V392-M396 HydrophobicContact CG1-CG 4.43Å; V392-M396 HydrophobicContact CG1-SD 4.28Å; V392-M396 WeakPolarHBondContact O-CB 3.44Å; V392-M396 VanDerWaalsContact O-CG 3.3Å; V392-M396 WeakPolarHBondContact O-CG 3.29Å; V392-M396 PolarHBondContact O-N 2.93Å; T394-M396 PolarHBondContact O-N 2.84Å; M396-R400 WeakPolarHBondContact O-CB 3.04Å; M396-R400 PolarHBondContact O-N 3.13Å; M396-K905 HydrophobicContact SD-CG 4.44Å
397	L	88.1	Confident	84.1	Confident	5 Å²	5	59.2 Å²	59.2	3%	0.026	32%	0.316	C	S	.	.	H	α-helix	trans	-70	-43.4	175.2	173.1	62.3	0	0	0	111.2	R369 L372 E373 I376 P393 T394 E395 R400 A401	R369-L397 HydrophobicContact CB-CD2 3.75Å; L372-L397 HydrophobicContact CB-CD2 3.98Å; L372-L397 HydrophobicContact CD2-CD2 4.11Å; L372-L397 HydrophobicContact CG-CD2 3.91Å; E373-L397 HydrophobicContact CB-CD1 3.78Å; E373-L397 HydrophobicContact CB-CD2 3.96Å; E373-L397 HydrophobicContact CG-CD1 3.81Å; I376-L397 HydrophobicContact CD1-CD2 4.32Å; P393-L397 PolarHBondContact O-N 2.93Å; P393-L397 VanDerWaalsContact O-N 3.14Å; T394-L397 WeakPolarHBondContact O-CB 3.38Å; T394-L397 PolarHBondContact O-N 2.88Å; T394-L397 VanDerWaalsContact O-N 3.12Å; E395-L397 VanDerWaalsContact C-N 3.34Å; E395-L397 PolarHBondContact O-N 3.44Å; L397-R400 WeakPolarHBondContact O-CB 3.31Å; L397-R400 PolarHBondContact O-N 2.76Å; L397-A401 PolarHBondContact O-N 3.43Å
398	I	90.5	Very high	82.6	Confident	3 Å²	3	63.4 Å²	63.4	2%	0.015	34%	0.339	C	S	.	.	H	α-helix	trans	-61.1	-46.9	176.9	-68.7	155.7	0	0	0	109.9	L384 L386 L390 T394 E395 R400 A401 T402 V413	L384-I398 HydrophobicContact CD1-CG1 4.41Å; L384-I398 HydrophobicContact CD1-CG2 4.01Å; L386-I398 HydrophobicContact CD1-CD1 3.75Å; L386-I398 HydrophobicContact CD1-CG1 4.48Å; L386-I398 HydrophobicContact CD1-CG2 4.05Å; L386-I398 HydrophobicContact CD2-CD1 4.06Å; L390-I398 HydrophobicContact CD1-CD1 3.64Å; T394-I398 HydrophobicContact CG2-CD1 3.96Å; T394-I398 WeakPolarHBondContact O-CD1 3.19Å; T394-I398 WeakPolarHBondContact O-CG1 3.36Å; T394-I398 PolarHBondContact O-N 3.11Å; E395-I398 PolarHBondContact O-N 2.88Å; I398-R400 VanDerWaalsContact C-N 3.33Å; I398-R400 PolarHBondContact O-N 2.67Å; I398-A401 PolarHBondContact O-N 2.88Å; I398-T402 WeakPolarHBondContact O-CB 3.32Å; I398-T402 PolarHBondContact O-N 3.02Å; I398-T402 PolarHBondContact O-OG1 3Å; I398-V413 HydrophobicContact CG2-CG2 4.39Å
399	Q	87.7	Confident	81.6	Confident	98 Å²	98	63 Å²	63	46%	0.458	33%	0.332	S	S	.	.	H	α-helix	trans	-62.4	-36.3	175.8	-69.2	174.9	15.8	0	0	112.7	E395 N403	E395-Q399 WeakPolarHBondContact O-CB 3.36Å; E395-Q399 VanDerWaalsContact O-CG 3.3Å; E395-Q399 WeakPolarHBondContact O-CG 3.35Å; E395-Q399 PolarHBondContact O-N 2.81Å; E395-Q399 PolarHBondContact OE1-NE2 3.47Å; Q399-N403 VanDerWaalsContact O-CB 3.26Å; Q399-N403 WeakPolarHBondContact O-CB 3.49Å; Q399-N403 PolarHBondContact O-N 3.49Å; Q399-N403 VanDerWaalsContact O-N 3.13Å; Q399-N403 PolarHBondContact O-ND2 3.37Å
400	R	83.6	Confident	81.5	Confident	54 Å²	54	63 Å²	63	20%	0.204	32%	0.324	C	S	.	.	H	α-helix	trans	-58.5	-54.5	170.9	-176.3	-164.7	-81.9	165.1	-4.6	110.3	E373 M396 L397 I398 T402 N403 V404 N902 K905 E912	E373-R400 VanDerWaalsContact CD-NH1 3.29Å; E373-R400 IonicContact OE1-NH1 2.67Å; E373-R400 PolarHBondContact OE1-NH1 3.16Å; E373-R400 IonicContact OE2-NH1 3.26Å; E373-R400 PolarHBondContact OE2-NH1 2.8Å; M396-R400 WeakPolarHBondContact O-CB 3.04Å; M396-R400 PolarHBondContact O-N 3.13Å; L397-R400 WeakPolarHBondContact O-CB 3.31Å; L397-R400 PolarHBondContact O-N 2.76Å; I398-R400 VanDerWaalsContact C-N 3.33Å; I398-R400 PolarHBondContact O-N 2.67Å; R400-T402 PolarHBondContact O-N 2.84Å; R400-N403 PolarHBondContact O-N 2.67Å; R400-V404 WeakPolarHBondContact O-CG2 3.36Å; R400-V404 PolarHBondContact O-N 3.03Å; R400-V404 VanDerWaalsContact O-N 3.15Å; R400-N902 PolarHBondContact NE-OD1 3.32Å; R400-N902 VanDerWaalsContact NE-OD1 3.16Å; R400-N902 PolarHBondContact NH2-ND2 3.48Å; R400-N902 PolarHBondContact NH2-OD1 3.28Å; R400-K905 VanDerWaalsContact NH2-NZ 3.18Å; R400-E912 IonicContact NH2-OE1 3.11Å
401	A	83.7	Confident	81.5	Confident	21 Å²	21	63 Å²	63	17%	0.174	32%	0.323	C	S	.	.	H	α-helix	trans	-61.8	-42	-177.9	0	0	0	0	0	113.4	I376 L397 I398 N403 S405 I411	I376-A401 HydrophobicContact CG2-CB 4.48Å; L397-A401 PolarHBondContact O-N 3.43Å; I398-A401 PolarHBondContact O-N 2.88Å; A401-N403 VanDerWaalsContact C-N 3.28Å; A401-N403 PolarHBondContact O-N 2.97Å; A401-S405 PolarHBondContact O-OG 3.48Å; A401-I411 HydrophobicContact CB-CD1 4.12Å
402	T	84.8	Confident	81.7	Confident	21 Å²	21	63.2 Å²	63.2	13%	0.129	32%	0.32	C	S	.	.	H	α-helix	trans	-69.8	-21.9	178.1	-53.5	0	0	0	0	113.4	I398 R400 S405 R410	I398-T402 WeakPolarHBondContact O-CB 3.32Å; I398-T402 PolarHBondContact O-N 3.02Å; I398-T402 PolarHBondContact O-OG1 3Å; R400-T402 PolarHBondContact O-N 2.84Å; T402-S405 PolarHBondContact O-OG 3.25Å; T402-R410 HydrophobicContact CG2-CG 3.92Å; T402-R410 PolarHBondContact O-NE 3.32Å
403	N	81.8	Confident	82	Confident	113 Å²	113	60.8 Å²	60.8	60%	0.604	31%	0.305	S	S	*	.	H	α-helix	trans	-91.7	-23.5	178.5	-75.7	-28.7	0	0	0	114.3	Q399 R400 A401 S405	Q399-N403 VanDerWaalsContact O-CB 3.26Å; Q399-N403 WeakPolarHBondContact O-CB 3.49Å; Q399-N403 PolarHBondContact O-N 3.49Å; Q399-N403 VanDerWaalsContact O-N 3.13Å; Q399-N403 PolarHBondContact O-ND2 3.37Å; R400-N403 PolarHBondContact O-N 2.67Å; A401-N403 VanDerWaalsContact C-N 3.28Å; A401-N403 PolarHBondContact O-N 2.97Å; N403-S405 VanDerWaalsContact C-N 3.25Å; N403-S405 PolarHBondContact O-N 2.92Å
404	V	74.6	Confident	82.5	Confident	95 Å²	95	59.8 Å²	59.8	58%	0.576	30%	0.297	S	S	*	.	H	α-helix	trans	-64.8	-31.9	172.8	169.5	0	0	0	0	111.5	R400	R400-V404 WeakPolarHBondContact O-CG2 3.36Å; R400-V404 PolarHBondContact O-N 3.03Å; R400-V404 VanDerWaalsContact O-N 3.15Å
405	S	67.4	Low	82.7	Confident	23 Å²	23	63.9 Å²	63.9	16%	0.161	31%	0.312	C	S	.	.	S	Bend	trans	-84.7	127.3	-175.6	38.3	0	0	0	0	113.1	A401 T402 N403 D409	A401-S405 PolarHBondContact O-OG 3.48Å; T402-S405 PolarHBondContact O-OG 3.25Å; N403-S405 VanDerWaalsContact C-N 3.25Å; N403-S405 PolarHBondContact O-N 2.92Å; S405-D409 WeakPolarHBondContact CB-O 3.44Å
406	V	67.6	Low	82.9	Confident	112 Å²	112	62.5 Å²	62.5	68%	0.679	31%	0.306	S	S	*	.			trans	-59.8	152	175.3	-177.8	0	0	0	0	110.1	D408 D409 R410	V406-D408 PolarHBondContact O-N 3.07Å; V406-D409 CarbonylContact O-C 3.54Å; V406-D409 PolarHBondContact O-N 2.82Å; V406-R410 PolarHBondContact O-N 2.85Å
407	R	61	Low	83.2	Confident	203 Å²	203	62.5 Å²	62.5	77%	0.766	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.3	-33.9	-172.5	-72.3	-172.2	178.3	-169.5	0.2	115.8
408	D	62.8	Low	83.3	Confident	89 Å²	89	64 Å²	64	48%	0.476	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-33.2	-177.3	-62.5	-46.8	0	0	0	113.3	K258 K294 V406	K258-D408 WeakPolarHBondContact CE-OD1 3.25Å; K258-D408 IonicContact NZ-OD1 3.99Å; K258-D408 PolarHBondContact NZ-OD1 3.19Å; K294-D408 PolarHBondContact NZ-O 2.9Å; V406-D408 PolarHBondContact O-N 3.07Å
409	D	70.8	Confident	83.3	Confident	52 Å²	52	66.9 Å²	66.9	28%	0.278	33%	0.333	S	S	.	.	S	Bend	trans	-110.6	26.3	176.1	-140.8	-7.9	0	0	0	113.5	K294 T319 D320 S405 V406 I411	K294-D409 IonicContact NZ-OD1 3.87Å; T319-D409 VanDerWaalsContact CG2-OD1 3.27Å; T319-D409 WeakPolarHBondContact CG2-OD1 3.37Å; D320-D409 PolarHBondContact N-OD2 3.16Å; S405-D409 WeakPolarHBondContact CB-O 3.44Å; V406-D409 CarbonylContact O-C 3.54Å; V406-D409 PolarHBondContact O-N 2.82Å; D409-I411 PolarHBondContact O-N 3.01Å
410	R	86.6	Confident	83.5	Confident	106 Å²	106	65.1 Å²	65.1	40%	0.4	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-61.9	133.3	174.9	177.3	168	-72.7	-173.7	-5.8	111.5	K294 T402 V406 R412	K294-R410 WeakPolarHBondContact CE-O 3.5Å; K294-R410 PolarHBondContact NZ-O 2.93Å; T402-R410 HydrophobicContact CG2-CG 3.92Å; T402-R410 PolarHBondContact O-NE 3.32Å; V406-R410 PolarHBondContact O-N 2.85Å; R410-R412 PolarHBondContact O-N 3.09Å
411	I	91	Very high	83.9	Confident	24 Å²	24	62.6 Å²	62.6	12%	0.123	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-60.7	120.6	169.8	-54.2	179.2	0	0	0	109	L384 A401 D409	L384-I411 HydrophobicContact CD1-CG2 4.09Å; L384-I411 HydrophobicContact CG-CG2 3.75Å; A401-I411 HydrophobicContact CB-CD1 4.12Å; D409-I411 PolarHBondContact O-N 3.01Å
412	R	93.1	Very high	84.3	Confident	34 Å²	34	67 Å²	67	13%	0.128	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	140.7	174	174.3	178.2	166.7	81.2	11.2	109.5	G259 V382 E383 L384 R410 E414	G259-R412 PolarHBondContact O-NH1 3.33Å; V382-R412 PolarHBondContact O-N 2.92Å; E383-R412 CarbonylContact C-O 3.58Å; E383-R412 VanDerWaalsContact CA-O 3.3Å; E383-R412 WeakPolarHBondContact CA-O 3.45Å; E383-R412 HydrophobicContact CB-CB 4.36Å; E383-R412 HydrophobicContact CG-CB 4Å; E383-R412 HydrophobicContact CG-CG 4.01Å; E383-R412 WeakPolarHBondContact OE1-CD 3.21Å; E383-R412 IonicContact OE1-NE 2.73Å; E383-R412 PolarHBondContact OE1-NE 2.65Å; E383-R412 VanDerWaalsContact OE1-NE 3.11Å; L384-R412 PolarHBondContact N-O 3.19Å; R410-R412 PolarHBondContact O-N 3.09Å; R412-E414 IonicContact CZ-OE2 2.73Å; R412-E414 IonicContact NE-OE2 2.69Å; R412-E414 IonicContact NH2-OE2 2.69Å; R412-E414 PolarHBondContact NH2-OE2 3.48Å
413	V	94.9	Very high	84.6	Confident	50 Å²	50	70.4 Å²	70.4	30%	0.303	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	122.4	175.2	178.2	0	0	0	0	109.5	L386 I398	L386-V413 HydrophobicContact CD1-CG1 3.66Å; L386-V413 HydrophobicContact CG-CG1 4.44Å; I398-V413 HydrophobicContact CG2-CG2 4.39Å
414	E	95.8	Very high	85.1	Confident	22 Å²	22	68.9 Å²	68.9	10%	0.103	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	140.6	172.8	-170.5	73.4	174.2	0	0	109.6	K261 L384 L385 L386 R412 Y467	K261-E414 IonicContact NZ-OE1 2.62Å; K261-E414 PolarHBondContact NZ-OE1 3.46Å; K261-E414 IonicContact NZ-OE2 2.65Å; L384-E414 PolarHBondContact O-N 3.33Å; L385-E414 HydrophobicContact CD1-CB 3.8Å; L385-E414 HydrophobicContact CD1-CG 3.6Å; L386-E414 PolarHBondContact N-O 2.61Å; R412-E414 IonicContact CZ-OE2 2.73Å; R412-E414 IonicContact NE-OE2 2.69Å; R412-E414 IonicContact NH2-OE2 2.69Å; R412-E414 PolarHBondContact NH2-OE2 3.48Å; E414-Y467 HydrophobicContact CG-CD2 4.34Å; E414-Y467 HydrophobicContact CG-CE2 3.61Å; E414-Y467 WeakPolarHBondContact OE1-CE2 3.18Å
415	R	94.8	Very high	86	Confident	86 Å²	86	67.8 Å²	67.8	33%	0.325	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	127.3	177.4	-67.7	-73.7	173.1	150.8	9.2	110.6	L386 P387 S388 E395	L386-R415 WeakPolarHBondContact O-CA 3.27Å; P387-R415 WeakPolarHBondContact O-CD 3.11Å; P387-R415 PolarHBondContact O-NH1 3.47Å; S388-R415 PolarHBondContact O-NH1 2.86Å; E395-R415 VanDerWaalsContact CD-NH2 3.28Å; E395-R415 IonicContact OE1-NH2 2.65Å; E395-R415 PolarHBondContact OE1-NH2 3.04Å; E395-R415 VanDerWaalsContact OE1-NH2 3.09Å; E395-R415 IonicContact OE2-CZ 2.7Å; E395-R415 IonicContact OE2-NH1 3.01Å; E395-R415 PolarHBondContact OE2-NH1 2.89Å; E395-R415 VanDerWaalsContact OE2-NH1 3.17Å; E395-R415 IonicContact OE2-NH2 2.85Å; E395-R415 PolarHBondContact OE2-NH2 2.97Å
416	M	93.6	Very high	87.2	Confident	16 Å²	16	66.7 Å²	66.7	8%	0.079	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	151.9	174.3	-65.9	-176.4	83.1	0	0	111	L385 L386 P387 S388 N418 Y420 F421 A463 R466	L385-M416 HydrophobicContact CD1-CG 3.94Å; L385-M416 HydrophobicContact CD1-SD 3.71Å; L385-M416 HydrophobicContact CD2-SD 4.15Å; L385-M416 HydrophobicContact CG-SD 4.2Å; L386-M416 PolarHBondContact O-N 2.93Å; P387-M416 CarbonylContact C-O 3.55Å; P387-M416 WeakPolarHBondContact CA-O 3.4Å; S388-M416 PolarHBondContact N-O 3.1Å; S388-M416 PolarHBondContact OG-O 2.96Å; M416-N418 PolarHBondContact O-N 2.91Å; M416-Y420 HydrophobicContact CB-CD2 4.48Å; M416-Y420 HydrophobicContact CE-CD2 4.09Å; M416-F421 HydrophobicContact CB-CE2 3.96Å; M416-A463 HydrophobicContact SD-CB 4.47Å; M416-R466 HydrophobicContact CE-CB 4.15Å; M416-R466 HydrophobicContact CE-CG 3.8Å
417	N	92.8	Very high	88.4	Confident	86 Å²	86	64.4 Å²	64.4	46%	0.46	30%	0.302	S	S	.	.			trans	-59.8	133.3	178.3	-171.1	-5.6	0	0	0	111.3	T419 Y420	N417-T419 PolarHBondContact ND2-OG1 2.93Å; N417-T419 PolarHBondContact O-N 3.3Å; N417-T419 PolarHBondContact OD1-N 3.09Å; N417-Y420 HydrophobicContact CB-CD2 4.1Å; N417-Y420 HydrophobicContact CB-CE2 3.99Å; N417-Y420 WeakPolarHBondContact O-CD2 3.45Å; N417-Y420 PolarHBondContact O-N 3.25Å
418	N	90.6	Very high	89.8	Confident	36 Å²	36	59.8 Å²	59.8	19%	0.193	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-54.6	-24.5	179.5	-76.4	67.5	0	0	0	113.8	P387 S388 D389 M416 Y420 F421 E422	P387-N418 WeakPolarHBondContact CB-ND2 3.4Å; S388-N418 WeakPolarHBondContact CB-OD1 3.46Å; S388-N418 PolarHBondContact N-OD1 2.93Å; S388-N418 VanDerWaalsContact N-OD1 3.07Å; D389-N418 PolarHBondContact N-OD1 3.48Å; D389-N418 PolarHBondContact O-ND2 3.43Å; M416-N418 PolarHBondContact O-N 2.91Å; N418-Y420 PolarHBondContact O-N 3.26Å; N418-F421 PolarHBondContact O-N 3.28Å; N418-E422 PolarHBondContact O-N 3.4Å
419	T	91.5	Very high	91.2	Very high	63 Å²	63	56.8 Å²	56.8	39%	0.387	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-55.2	-31.3	173.4	56.1	0	0	0	0	113.5	N417 F421 E422	N417-T419 PolarHBondContact ND2-OG1 2.93Å; N417-T419 PolarHBondContact O-N 3.3Å; N417-T419 PolarHBondContact OD1-N 3.09Å; T419-F421 VanDerWaalsContact C-N 3.3Å; T419-E422 PolarHBondContact O-N 3.38Å
420	Y	90.7	Very high	92.1	Very high	61 Å²	61	54.5 Å²	54.5	24%	0.239	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-78.8	-14.8	178.7	-55.9	-50.6	0	0	0	113.6	M416 N417 N418 H425 R466	M416-Y420 HydrophobicContact CB-CD2 4.48Å; M416-Y420 HydrophobicContact CE-CD2 4.09Å; N417-Y420 HydrophobicContact CB-CD2 4.1Å; N417-Y420 HydrophobicContact CB-CE2 3.99Å; N417-Y420 WeakPolarHBondContact O-CD2 3.45Å; N417-Y420 PolarHBondContact O-N 3.25Å; N418-Y420 PolarHBondContact O-N 3.26Å; Y420-H425 AromaticContact CD1-CE1 3.79Å; Y420-R466 PolarHBondContact OH-NH2 3.34Å
421	F	91.8	Very high	92.2	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.009	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-100.4	-3.9	175	-63.2	-93.5	0	0	0	112.6	Y330 P387 M416 N418 T419 Y423 C459 A463	Y330-F421 HydrophobicContact CD2-CB 3.64Å; Y330-F421 AromaticContact CD2-CD1 3.77Å; Y330-F421 HydrophobicContact CD2-CD1 3.77Å; Y330-F421 HydrophobicContact CD2-CG 4.02Å; Y330-F421 HydrophobicContact CE2-CB 3.68Å; Y330-F421 HydrophobicContact CG-CD1 4.27Å; P387-F421 HydrophobicContact CB-CD2 4.03Å; P387-F421 HydrophobicContact CB-CE2 3.96Å; P387-F421 HydrophobicContact CB-CZ 4.43Å; P387-F421 HydrophobicContact CG-CD1 4.02Å; P387-F421 HydrophobicContact CG-CD2 3.89Å; P387-F421 HydrophobicContact CG-CE1 3.92Å; P387-F421 HydrophobicContact CG-CE2 3.79Å; P387-F421 HydrophobicContact CG-CG 3.99Å; P387-F421 HydrophobicContact CG-CZ 3.81Å; M416-F421 HydrophobicContact CB-CE2 3.96Å; N418-F421 PolarHBondContact O-N 3.28Å; T419-F421 VanDerWaalsContact C-N 3.3Å; F421-Y423 PolarHBondContact O-N 2.89Å; F421-C459 WeakPolarHBondContact O-CB 3.43Å; F421-C459 PolarHBondContact O-SG 2.85Å; F421-A463 HydrophobicContact CD1-CB 3.88Å; F421-A463 HydrophobicContact CE1-CB 3.39Å; F421-A463 HydrophobicContact CE2-CB 4.15Å; F421-A463 HydrophobicContact CG-CB 4.46Å; F421-A463 HydrophobicContact CZ-CB 3.55Å
422	E	92.5	Very high	92.1	Very high	113 Å²	113	53.8 Å²	53.8	53%	0.528	27%	0.265	S	S	.	.	S	Bend	trans	-66.5	126.8	175.4	-171.5	-172	149.9	0	0	109.7	N418 T419 S424 H425 A426	N418-E422 PolarHBondContact O-N 3.4Å; T419-E422 PolarHBondContact O-N 3.38Å; E422-S424 PolarHBondContact O-N 3.44Å; E422-S424 VanDerWaalsContact O-N 3.07Å; E422-H425 PolarHBondContact O-N 2.84Å; E422-H425 VanDerWaalsContact O-N 3.07Å; E422-A426 WeakPolarHBondContact O-CB 3.26Å; E422-A426 PolarHBondContact O-N 3.29Å
423	Y	91.8	Very high	91.9	Very high	92 Å²	92	53 Å²	53	36%	0.361	26%	0.262	S	S	.	.	H	α-helix	trans	-51.6	-39.2	-171.1	-179.3	-100.9	0	0	0	114	F421 A426 F427 K455 I458	F421-Y423 PolarHBondContact O-N 2.89Å; Y423-A426 PolarHBondContact O-N 3.46Å; Y423-F427 WeakPolarHBondContact O-CB 3.26Å; Y423-F427 PolarHBondContact O-N 3.22Å; Y423-K455 HydrophobicContact CD2-CB 3.73Å; Y423-K455 HydrophobicContact CD2-CD 4.36Å; Y423-K455 HydrophobicContact CD2-CG 4.27Å; Y423-K455 HydrophobicContact CE2-CB 3.76Å; Y423-K455 HydrophobicContact CE2-CD 4.35Å; Y423-K455 HydrophobicContact CE2-CG 3.98Å; Y423-I458 HydrophobicContact CE2-CB 4.37Å; Y423-I458 HydrophobicContact CE2-CD1 4.26Å; Y423-I458 HydrophobicContact CE2-CG2 4.29Å
424	S	92.3	Very high	91.4	Very high	82 Å²	82	50.8 Å²	50.8	57%	0.573	25%	0.249	S	C	*	.	H	α-helix	trans	-60.9	-53	178	-170.2	0	0	0	0	112.1	E422 Q428	E422-S424 PolarHBondContact O-N 3.44Å; E422-S424 VanDerWaalsContact O-N 3.07Å; S424-Q428 PolarHBondContact O-N 3.19Å; S424-Q428 VanDerWaalsContact O-N 3.13Å
425	H	93.4	Very high	90.4	Very high	71 Å²	71	52 Å²	52	33%	0.329	26%	0.263	S	S	.	.	H	α-helix	trans	-67.9	-37.1	177.3	-177.8	-69	0	0	0	111.9	Y420 E422 Q428 T429	Y420-H425 AromaticContact CD1-CE1 3.79Å; E422-H425 PolarHBondContact O-N 2.84Å; E422-H425 VanDerWaalsContact O-N 3.07Å; H425-Q428 PolarHBondContact O-N 2.8Å; H425-T429 PolarHBondContact CE1-OG1 3.21Å; H425-T429 PolarHBondContact ND1-OG1 3.39Å; H425-T429 WeakPolarHBondContact O-CB 3.3Å; H425-T429 PolarHBondContact O-N 3.11Å; H425-T429 PolarHBondContact O-OG1 2.84Å
426	A	92.8	Very high	89	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64.4	-48.6	178.7	0	0	0	0	0	111.6	E422 Y423 Q428 T429 V430 A462	E422-A426 WeakPolarHBondContact O-CB 3.26Å; E422-A426 PolarHBondContact O-N 3.29Å; Y423-A426 PolarHBondContact O-N 3.46Å; A426-Q428 VanDerWaalsContact C-N 3.35Å; A426-Q428 PolarHBondContact O-N 2.93Å; A426-T429 PolarHBondContact O-N 2.83Å; A426-T429 VanDerWaalsContact O-N 3.13Å; A426-V430 WeakPolarHBondContact O-CB 3.23Å; A426-V430 WeakPolarHBondContact O-CG2 3.19Å; A426-V430 PolarHBondContact O-N 3.07Å; A426-A462 VanDerWaalsContact CA-CB 3.46Å; A426-A462 HydrophobicContact CB-CB 3.5Å; A426-A462 VanDerWaalsContact CB-CB 3.5Å
427	F	91.6	Very high	87.1	Confident	64 Å²	64	59.7 Å²	59.7	28%	0.281	30%	0.295	S	S	.	.	H	α-helix	trans	-62.4	-40.3	177	-171.9	-91.9	0	0	0	111.8	Y423 V430 T431 I451 I458	Y423-F427 WeakPolarHBondContact O-CB 3.26Å; Y423-F427 PolarHBondContact O-N 3.22Å; F427-V430 PolarHBondContact O-N 2.86Å; F427-T431 HydrophobicContact CD1-CG2 4.14Å; F427-T431 HydrophobicContact CE1-CG2 3.75Å; F427-T431 HydrophobicContact CE2-CG2 4.49Å; F427-T431 HydrophobicContact CZ-CG2 3.94Å; F427-T431 WeakPolarHBondContact O-CB 3.42Å; F427-T431 WeakPolarHBondContact O-CG2 3.16Å; F427-T431 PolarHBondContact O-N 2.97Å; F427-T431 PolarHBondContact O-OG1 2.91Å; F427-I451 HydrophobicContact CE2-CG1 4.35Å; F427-I451 HydrophobicContact CE2-CG2 4.47Å; F427-I451 HydrophobicContact CZ-CG1 4.35Å; F427-I458 HydrophobicContact CB-CG2 4.49Å; F427-I458 HydrophobicContact CD2-CD1 4.38Å; F427-I458 HydrophobicContact CD2-CG2 4.44Å
428	Q	91.7	Very high	85.1	Confident	106 Å²	106	59.9 Å²	59.9	50%	0.495	30%	0.295	S	S	.	.	H	α-helix	trans	-61.2	-46.5	171	-177.8	179.7	-16.7	0	0	111.5	S424 H425 A426 V430 T431 E432	S424-Q428 PolarHBondContact O-N 3.19Å; S424-Q428 VanDerWaalsContact O-N 3.13Å; H425-Q428 PolarHBondContact O-N 2.8Å; A426-Q428 VanDerWaalsContact C-N 3.35Å; A426-Q428 PolarHBondContact O-N 2.93Å; Q428-V430 VanDerWaalsContact C-N 3.31Å; Q428-V430 PolarHBondContact O-N 3.06Å; Q428-T431 WeakPolarHBondContact CA-OG1 3.28Å; Q428-T431 PolarHBondContact O-N 2.94Å; Q428-T431 PolarHBondContact O-OG1 3.42Å; Q428-E432 HydrophobicContact CG-CG 4.31Å; Q428-E432 PolarHBondContact NE2-OE1 3Å; Q428-E432 VanDerWaalsContact O-CB 3.26Å; Q428-E432 WeakPolarHBondContact O-CB 3.34Å; Q428-E432 WeakPolarHBondContact O-CG 3.18Å; Q428-E432 PolarHBondContact O-N 3.41Å
429	T	90.8	Very high	83.2	Confident	27 Å²	27	64.8 Å²	64.8	17%	0.166	33%	0.326	C	S	.	.	H	α-helix	trans	-62.6	-38.4	-178.6	-59.4	0	0	0	0	112.2	H425 A426 F433 A462	H425-T429 PolarHBondContact CE1-OG1 3.21Å; H425-T429 PolarHBondContact ND1-OG1 3.39Å; H425-T429 WeakPolarHBondContact O-CB 3.3Å; H425-T429 PolarHBondContact O-N 3.11Å; H425-T429 PolarHBondContact O-OG1 2.84Å; A426-T429 PolarHBondContact O-N 2.83Å; A426-T429 VanDerWaalsContact O-N 3.13Å; T429-F433 WeakPolarHBondContact O-CB 3.3Å; T429-F433 PolarHBondContact O-N 2.94Å; T429-A462 HydrophobicContact CG2-CB 4.38Å
430	V	90.9	Very high	81	Confident	4 Å²	4	67.3 Å²	67.3	2%	0.024	34%	0.337	C	S	.	.	H	α-helix	trans	-70.9	-48.9	177.5	167.1	0	0	0	0	111	A426 F427 Q428 F433 Y434 V450 I458 L461 A462 I465	A426-V430 WeakPolarHBondContact O-CB 3.23Å; A426-V430 WeakPolarHBondContact O-CG2 3.19Å; A426-V430 PolarHBondContact O-N 3.07Å; F427-V430 PolarHBondContact O-N 2.86Å; Q428-V430 VanDerWaalsContact C-N 3.31Å; Q428-V430 PolarHBondContact O-N 3.06Å; V430-F433 WeakPolarHBondContact O-CB 3.16Å; V430-F433 PolarHBondContact O-N 3.21Å; V430-F433 VanDerWaalsContact O-N 3.17Å; V430-Y434 HydrophobicContact CG1-CD2 4.13Å; V430-Y434 HydrophobicContact CG1-CE2 4.08Å; V430-Y434 VanDerWaalsContact O-CD2 3.3Å; V430-Y434 WeakPolarHBondContact O-CD2 3.44Å; V430-Y434 PolarHBondContact O-N 2.96Å; V430-V450 HydrophobicContact CG1-CG1 3.44Å; V430-V450 VanDerWaalsContact CG1-CG1 3.44Å; V430-I458 HydrophobicContact CG2-CG2 4.29Å; V430-L461 HydrophobicContact CG2-CD2 4.36Å; V430-L461 HydrophobicContact CG2-CG 4.34Å; V430-A462 HydrophobicContact CG2-CB 3.99Å; V430-I465 HydrophobicContact CG2-CD1 3.98Å
431	T	88.3	Confident	78.9	Confident	35 Å²	35	69.4 Å²	69.4	22%	0.215	36%	0.36	C	S	.	.	H	α-helix	trans	-64.9	-41.5	178.3	49.8	0	0	0	0	111.7	F427 Q428 F433 A435	F427-T431 HydrophobicContact CD1-CG2 4.14Å; F427-T431 HydrophobicContact CE1-CG2 3.75Å; F427-T431 HydrophobicContact CE2-CG2 4.49Å; F427-T431 HydrophobicContact CZ-CG2 3.94Å; F427-T431 WeakPolarHBondContact O-CB 3.42Å; F427-T431 WeakPolarHBondContact O-CG2 3.16Å; F427-T431 PolarHBondContact O-N 2.97Å; F427-T431 PolarHBondContact O-OG1 2.91Å; Q428-T431 WeakPolarHBondContact CA-OG1 3.28Å; Q428-T431 PolarHBondContact O-N 2.94Å; Q428-T431 PolarHBondContact O-OG1 3.42Å; T431-F433 VanDerWaalsContact C-N 3.25Å; T431-F433 PolarHBondContact O-N 3.42Å; T431-A435 WeakPolarHBondContact O-CB 3.49Å; T431-A435 PolarHBondContact O-N 3.29Å
432	E	89.4	Confident	76.9	Confident	79 Å²	79	75.4 Å²	75.4	37%	0.369	39%	0.388	S	S	.	.	H	α-helix	trans	-62.6	-25.1	172.8	-85.2	-165.1	-135.5	0	0	114.6	Q428 R436	Q428-E432 HydrophobicContact CG-CG 4.31Å; Q428-E432 PolarHBondContact NE2-OE1 3Å; Q428-E432 VanDerWaalsContact O-CB 3.26Å; Q428-E432 WeakPolarHBondContact O-CB 3.34Å; Q428-E432 WeakPolarHBondContact O-CG 3.18Å; Q428-E432 PolarHBondContact O-N 3.41Å; E432-R436 VanDerWaalsContact O-CD 3.27Å; E432-R436 WeakPolarHBondContact O-CD 3.38Å; E432-R436 VanDerWaalsContact O-CG 3.28Å; E432-R436 WeakPolarHBondContact O-CG 3.42Å; E432-R436 PolarHBondContact O-NE 3.42Å; E432-R436 IonicContact OE2-CZ 2.7Å; E432-R436 IonicContact OE2-NH2 3.99Å; E432-R436 PolarHBondContact OE2-NH2 2.88Å
433	F	88.3	Confident	74.9	Confident	17 Å²	17	70.5 Å²	70.5	8%	0.075	37%	0.369	C	S	.	.	H	α-helix	trans	-74.1	-58.5	178	175.8	-113.5	0	0	0	110.2	T429 V430 T431 A435 R436 I465 E474 L477	T429-F433 WeakPolarHBondContact O-CB 3.3Å; T429-F433 PolarHBondContact O-N 2.94Å; V430-F433 WeakPolarHBondContact O-CB 3.16Å; V430-F433 PolarHBondContact O-N 3.21Å; V430-F433 VanDerWaalsContact O-N 3.17Å; T431-F433 VanDerWaalsContact C-N 3.25Å; T431-F433 PolarHBondContact O-N 3.42Å; F433-A435 VanDerWaalsContact C-N 3.34Å; F433-A435 PolarHBondContact O-N 2.98Å; F433-R436 PolarHBondContact O-N 3.34Å; F433-I465 HydrophobicContact CB-CD1 4.34Å; F433-I465 HydrophobicContact CB-CG2 4.26Å; F433-I465 HydrophobicContact CD1-CD1 3.83Å; F433-I465 HydrophobicContact CD1-CG1 4.28Å; F433-I465 HydrophobicContact CD1-CG2 4.48Å; F433-I465 HydrophobicContact CD2-CG2 4.02Å; F433-I465 HydrophobicContact CE1-CD1 4.44Å; F433-I465 HydrophobicContact CE2-CG2 4.5Å; F433-I465 HydrophobicContact CG-CD1 4.2Å; F433-I465 HydrophobicContact CG-CG2 4Å; F433-E474 HydrophobicContact CE2-CB 4.21Å; F433-E474 HydrophobicContact CE2-CG 3.92Å; F433-E474 HydrophobicContact CZ-CB 4.44Å; F433-E474 HydrophobicContact CZ-CG 4.49Å; F433-L477 HydrophobicContact CE1-CB 3.84Å; F433-L477 HydrophobicContact CZ-CB 4.05Å
434	Y	84.9	Confident	73	Confident	4 Å²	4	69.8 Å²	69.8	2%	0.016	38%	0.377	C	S	.	.	H	α-helix	trans	-69.1	-29	179.9	-64.7	-70.1	0	0	0	113.1	V430 R436 E437 V450 L477 P480 F483	V430-Y434 HydrophobicContact CG1-CD2 4.13Å; V430-Y434 HydrophobicContact CG1-CE2 4.08Å; V430-Y434 VanDerWaalsContact O-CD2 3.3Å; V430-Y434 WeakPolarHBondContact O-CD2 3.44Å; V430-Y434 PolarHBondContact O-N 2.96Å; Y434-R436 PolarHBondContact O-N 3.01Å; Y434-E437 PolarHBondContact O-N 3.47Å; Y434-E437 VanDerWaalsContact O-N 3.16Å; Y434-V450 HydrophobicContact CD2-CG1 4.41Å; Y434-V450 HydrophobicContact CD2-CG2 4.41Å; Y434-V450 HydrophobicContact CE2-CB 4.37Å; Y434-V450 HydrophobicContact CE2-CG1 3.97Å; Y434-V450 HydrophobicContact CE2-CG2 3.87Å; Y434-L477 WeakPolarHBondContact CE1-O 3.48Å; Y434-L477 PolarHBondContact OH-O 3.24Å; Y434-P480 HydrophobicContact CD1-CG 4.34Å; Y434-P480 HydrophobicContact CE1-CG 3.65Å; Y434-F483 WeakPolarHBondContact OH-CZ 3.38Å
435	A	74.5	Confident	71.2	Confident	48 Å²	48	72.8 Å²	72.8	40%	0.397	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-66.1	-19.7	178.8	0	0	0	0	0	114.2	T431 F433 E437 I438	T431-A435 WeakPolarHBondContact O-CB 3.49Å; T431-A435 PolarHBondContact O-N 3.29Å; F433-A435 VanDerWaalsContact C-N 3.34Å; F433-A435 PolarHBondContact O-N 2.98Å; A435-E437 VanDerWaalsContact C-N 3.25Å; A435-E437 PolarHBondContact O-N 3.34Å; A435-I438 HydrophobicContact CB-CD1 4.06Å; A435-I438 WeakPolarHBondContact O-CG1 3.49Å
436	R	64.6	Low	69.5	Low	176 Å²	176	70.1 Å²	70.1	66%	0.664	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-76.4	-12.9	176.9	-68.5	168.6	-161.9	-141.6	1.2	113.2	E432 F433 Y434	E432-R436 VanDerWaalsContact O-CD 3.27Å; E432-R436 WeakPolarHBondContact O-CD 3.38Å; E432-R436 VanDerWaalsContact O-CG 3.28Å; E432-R436 WeakPolarHBondContact O-CG 3.42Å; E432-R436 PolarHBondContact O-NE 3.42Å; E432-R436 IonicContact OE2-CZ 2.7Å; E432-R436 IonicContact OE2-NH2 3.99Å; E432-R436 PolarHBondContact OE2-NH2 2.88Å; F433-R436 PolarHBondContact O-N 3.34Å; Y434-R436 PolarHBondContact O-N 3.01Å
437	E	54.4	Low	68	Low	88 Å²	88	71.4 Å²	71.4	41%	0.411	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-98	1.4	178.6	-60	-175	156.6	0	0	112.7	Y434 A435 V439 D440 S478	Y434-E437 PolarHBondContact O-N 3.47Å; Y434-E437 VanDerWaalsContact O-N 3.16Å; A435-E437 VanDerWaalsContact C-N 3.25Å; A435-E437 PolarHBondContact O-N 3.34Å; E437-V439 PolarHBondContact O-N 3.47Å; E437-D440 PolarHBondContact O-N 3.08Å; E437-S478 WeakPolarHBondContact OE1-CB 3.34Å; E437-S478 WeakPolarHBondContact OE2-CB 3.26Å
438	I	50.1	Low	66.6	Low	90 Å²	90	71.5 Å²	71.5	46%	0.462	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	46.9	175.5	-39.2	166.8	0	0	0	111.9	A435 L447	A435-I438 HydrophobicContact CB-CD1 4.06Å; A435-I438 WeakPolarHBondContact O-CG1 3.49Å; I438-L447 HydrophobicContact CD1-CD1 3.84Å; I438-L447 HydrophobicContact CG1-CD1 4.35Å
439	V	50.1	Low	65.4	Low	139 Å²	139	68.6 Å²	68.6	84%	0.842	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-32.8	155.2	-176.7	0	0	0	0	109.1	E437	E437-V439 PolarHBondContact O-N 3.47Å
440	D	45.8	Very low	64.3	Low	115 Å²	115	67.4 Å²	67.4	62%	0.615	38%	0.378	S	S	*	.	S	Bend	trans	-95.1	146.2	172.8	-75.7	-48.8	0	0	0	112.5	E437 Q442 G443	E437-D440 PolarHBondContact O-N 3.08Å; D440-Q442 PolarHBondContact O-N 2.73Å; D440-Q442 VanDerWaalsContact O-N 3.12Å; D440-G443 PolarHBondContact O-N 3.31Å
441	S	47.5	Very low	63.2	Low	105 Å²	105	70.9 Å²	70.9	73%	0.734	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-19.1	-179.6	51.4	0	0	0	0	114.2	G443 S444	S441-G443 PolarHBondContact O-N 2.83Å; S441-S444 PolarHBondContact O-OG 3.22Å
442	Q	48.9	Very low	62.8	Low	128 Å²	128	75.9 Å²	75.9	60%	0.598	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-33.4	178.8	-66.6	-175.4	-0.7	0	0	113.4	D440 S444 Q445 S446	D440-Q442 PolarHBondContact O-N 2.73Å; D440-Q442 VanDerWaalsContact O-N 3.12Å; Q442-S444 PolarHBondContact O-N 2.86Å; Q442-Q445 PolarHBondContact O-N 2.84Å; Q442-S446 PolarHBondContact O-N 3.4Å
443	G	50.5	Low	62.5	Low	11 Å²	11	73.8 Å²	73.8	11%	0.113	41%	0.412	C	S	.	.	H	α-helix	trans	-59.5	-23.5	-175.6	0	0	0	0	0	114.2	D440 S441 Q445 L447	D440-G443 PolarHBondContact O-N 3.31Å; S441-G443 PolarHBondContact O-N 2.83Å; G443-Q445 VanDerWaalsContact C-N 3.31Å; G443-Q445 PolarHBondContact O-N 3.06Å; G443-L447 WeakPolarHBondContact O-CB 3.43Å; G443-L447 WeakPolarHBondContact O-CG 3.32Å; G443-L447 PolarHBondContact O-N 3.27Å
444	S	51.3	Low	62.6	Low	77 Å²	77	78.6 Å²	78.6	54%	0.538	44%	0.435	S	S	.	.	H	α-helix	trans	-63.9	-30.9	173.2	67	0	0	0	0	113.9	S441 Q442	S441-S444 PolarHBondContact O-OG 3.22Å; Q442-S444 PolarHBondContact O-N 2.86Å
445	Q	55.6	Low	62.8	Low	145 Å²	145	82.2 Å²	82.2	68%	0.678	45%	0.45	S	S	*	.	H	α-helix	trans	-82.9	-47.8	178.4	-66.5	-169.8	-13.1	0	0	111	Q442 G443 L447 S448 G449	Q442-Q445 PolarHBondContact O-N 2.84Å; G443-Q445 VanDerWaalsContact C-N 3.31Å; G443-Q445 PolarHBondContact O-N 3.06Å; Q445-L447 VanDerWaalsContact C-N 3.25Å; Q445-L447 PolarHBondContact O-N 3.47Å; Q445-S448 PolarHBondContact O-N 2.84Å; Q445-S448 PolarHBondContact O-OG 3.46Å; Q445-G449 PolarHBondContact O-N 3.47Å
446	S	58.1	Low	63.7	Low	15 Å²	15	79.9 Å²	79.9	11%	0.105	43%	0.431	C	S	.	.	H	α-helix	trans	-54.6	-39.8	178.1	-52.3	0	0	0	0	112.4	Q442 S448 G449 V450 E481	Q442-S446 PolarHBondContact O-N 3.4Å; S446-S448 PolarHBondContact O-N 3.09Å; S446-G449 PolarHBondContact O-N 3.09Å; S446-V450 PolarHBondContact O-N 3.38Å; S446-E481 WeakPolarHBondContact CA-OE1 3.33Å; S446-E481 VanDerWaalsContact CB-OE1 3.29Å; S446-E481 WeakPolarHBondContact CB-OE1 3.37Å; S446-E481 PolarHBondContact OG-OE1 3.36Å
447	L	61.5	Low	65.1	Low	27 Å²	27	71.7 Å²	71.7	14%	0.141	40%	0.401	C	S	.	.	H	α-helix	trans	-59.3	-42.7	172.6	-86	166.2	0	0	0	113.4	I438 G443 Q445 G449 V450 I451	I438-L447 HydrophobicContact CD1-CD1 3.84Å; I438-L447 HydrophobicContact CG1-CD1 4.35Å; G443-L447 WeakPolarHBondContact O-CB 3.43Å; G443-L447 WeakPolarHBondContact O-CG 3.32Å; G443-L447 PolarHBondContact O-N 3.27Å; Q445-L447 VanDerWaalsContact C-N 3.25Å; Q445-L447 PolarHBondContact O-N 3.47Å; L447-G449 VanDerWaalsContact C-N 3.34Å; L447-G449 PolarHBondContact O-N 3.1Å; L447-V450 PolarHBondContact O-N 3.45Å; L447-I451 HydrophobicContact CB-CD1 4.34Å; L447-I451 HydrophobicContact CD2-CD1 4.47Å; L447-I451 WeakPolarHBondContact O-CB 2.82Å; L447-I451 WeakPolarHBondContact O-CD1 3.45Å; L447-I451 WeakPolarHBondContact O-CG1 3.3Å; L447-I451 PolarHBondContact O-N 3.04Å
448	S	61.7	Low	66.9	Low	66 Å²	66	67.5 Å²	67.5	46%	0.462	38%	0.381	S	S	.	.	H	α-helix	trans	-71.4	-28.5	-175.9	68.3	0	0	0	0	113.2	Q445 S446 N452	Q445-S448 PolarHBondContact O-N 2.84Å; Q445-S448 PolarHBondContact O-OG 3.46Å; S446-S448 PolarHBondContact O-N 3.09Å; S448-N452 PolarHBondContact O-ND2 3.26Å
449	G	65.2	Low	69	Low	44 Å²	44	63.3 Å²	63.3	45%	0.454	36%	0.36	S	S	.	.	H	α-helix	trans	-64.4	-44.4	169.1	0	0	0	0	0	112.8	Q445 S446 L447	Q445-G449 PolarHBondContact O-N 3.47Å; S446-G449 PolarHBondContact O-N 3.09Å; L447-G449 VanDerWaalsContact C-N 3.34Å; L447-G449 PolarHBondContact O-N 3.1Å
450	V	68.6	Low	71.2	Confident	3 Å²	3	56.7 Å²	56.7	2%	0.018	32%	0.319	C	S	.	.	H	α-helix	trans	-74.7	-35.9	-177.3	178	0	0	0	0	112.7	V430 Y434 S446 L447 N452 L453 L461 P480	V430-V450 HydrophobicContact CG1-CG1 3.44Å; V430-V450 VanDerWaalsContact CG1-CG1 3.44Å; Y434-V450 HydrophobicContact CD2-CG1 4.41Å; Y434-V450 HydrophobicContact CD2-CG2 4.41Å; Y434-V450 HydrophobicContact CE2-CB 4.37Å; Y434-V450 HydrophobicContact CE2-CG1 3.97Å; Y434-V450 HydrophobicContact CE2-CG2 3.87Å; S446-V450 PolarHBondContact O-N 3.38Å; L447-V450 PolarHBondContact O-N 3.45Å; V450-N452 PolarHBondContact O-N 2.87Å; V450-L453 HydrophobicContact CG1-CD1 4.28Å; V450-L453 WeakPolarHBondContact O-CB 3.29Å; V450-L453 WeakPolarHBondContact O-CG 3.39Å; V450-L453 PolarHBondContact O-N 3.38Å; V450-L453 VanDerWaalsContact O-N 3.17Å; V450-L461 HydrophobicContact CG1-CD2 4.11Å; V450-P480 HydrophobicContact CG2-CB 3.56Å; V450-P480 HydrophobicContact CG2-CG 3.34Å
451	I	68.6	Low	73.5	Confident	77 Å²	77	51.3 Å²	51.3	40%	0.395	29%	0.291	S	S	.	.	H	α-helix	trans	-65.5	-25.4	179.1	-71.4	164.9	0	0	0	112	F427 L447 L453	F427-I451 HydrophobicContact CE2-CG1 4.35Å; F427-I451 HydrophobicContact CE2-CG2 4.47Å; F427-I451 HydrophobicContact CZ-CG1 4.35Å; L447-I451 HydrophobicContact CB-CD1 4.34Å; L447-I451 HydrophobicContact CD2-CD1 4.47Å; L447-I451 WeakPolarHBondContact O-CB 2.82Å; L447-I451 WeakPolarHBondContact O-CD1 3.45Å; L447-I451 WeakPolarHBondContact O-CG1 3.3Å; L447-I451 PolarHBondContact O-N 3.04Å; I451-L453 VanDerWaalsContact C-N 3.32Å
452	N	78.9	Confident	75.8	Confident	139 Å²	139	46.3 Å²	46.3	74%	0.743	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	3.5	176.9	-72.1	-29.3	0	0	0	114.2	S448 V450	S448-N452 PolarHBondContact O-ND2 3.26Å; V450-N452 PolarHBondContact O-N 2.87Å
453	L	84.3	Confident	78	Confident	35 Å²	35	40.2 Å²	40.2	18%	0.183	23%	0.228	C	C	.	.	S	Bend	trans	-75.5	148.7	176.1	-65.3	176.4	0	0	0	112	F360 V450 I451 V457 I458	F360-L453 HydrophobicContact CD2-CD2 4.18Å; F360-L453 HydrophobicContact CE2-CD2 3.68Å; F360-L453 HydrophobicContact CZ-CD2 3.98Å; V450-L453 HydrophobicContact CG1-CD1 4.28Å; V450-L453 WeakPolarHBondContact O-CB 3.29Å; V450-L453 WeakPolarHBondContact O-CG 3.39Å; V450-L453 PolarHBondContact O-N 3.38Å; V450-L453 VanDerWaalsContact O-N 3.17Å; I451-L453 VanDerWaalsContact C-N 3.32Å; L453-V457 HydrophobicContact CD1-CG1 4.31Å; L453-I458 HydrophobicContact CB-CD1 4.33Å; L453-I458 HydrophobicContact CB-CG1 3.94Å; L453-I458 VanDerWaalsContact O-CD1 3.27Å; L453-I458 WeakPolarHBondContact O-CD1 3.49Å
454	E	88.7	Confident	80.2	Confident	119 Å²	119	39.7 Å²	39.7	56%	0.556	22%	0.222	S	C	*	.			trans	-58.7	140.8	176.5	-77	-67.5	174.6	0	0	112.5	C362 P456 V457 I458	C362-E454 HydrophobicContact CB-CB 3.92Å; C362-E454 HydrophobicContact CB-CG 4.05Å; C362-E454 VanDerWaalsContact SG-CB 3.57Å; E454-P456 VanDerWaalsContact C-N 3.31Å; E454-P456 VanDerWaalsContact O-N 3.11Å; E454-V457 HydrophobicContact CB-CG2 4.33Å; E454-V457 WeakPolarHBondContact O-CA 3.44Å; E454-V457 WeakPolarHBondContact O-CB 3.32Å; E454-V457 PolarHBondContact O-N 2.97Å; E454-I458 PolarHBondContact O-N 2.96Å
455	K	90.3	Very high	82.3	Confident	79 Å²	79	36 Å²	36	34%	0.343	20%	0.197	S	C	.	.	H	α-helix	trans	-47.9	-45.5	-174.8	-43	-166.8	-134.3	93.2	0	113.7	E332 Y423 V457 I458 C459	E332-K455 IonicContact OE1-NZ 3Å; E332-K455 PolarHBondContact OE1-NZ 2.93Å; E332-K455 IonicContact OE2-NZ 2.6Å; E332-K455 PolarHBondContact OE2-NZ 3.17Å; Y423-K455 HydrophobicContact CD2-CB 3.73Å; Y423-K455 HydrophobicContact CD2-CD 4.36Å; Y423-K455 HydrophobicContact CD2-CG 4.27Å; Y423-K455 HydrophobicContact CE2-CB 3.76Å; Y423-K455 HydrophobicContact CE2-CD 4.35Å; Y423-K455 HydrophobicContact CE2-CG 3.98Å; K455-V457 VanDerWaalsContact C-N 3.26Å; K455-V457 PolarHBondContact O-N 3.33Å; K455-I458 PolarHBondContact O-N 3.14Å; K455-C459 PolarHBondContact O-N 2.81Å; K455-C459 PolarHBondContact O-SG 2.93Å
456	P	92.2	Very high	84.2	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-64.8	-30.4	-177.8	-24	38.1	0	0	0	113.1	Y330 E332 G347 E454 A460	Y330-P456 HydrophobicContact CD1-CB 3.95Å; Y330-P456 HydrophobicContact CE1-CB 4.43Å; E332-P456 HydrophobicContact CB-CG 4.12Å; G347-P456 VanDerWaalsContact N-CB 3.33Å; E454-P456 VanDerWaalsContact C-N 3.31Å; E454-P456 VanDerWaalsContact O-N 3.11Å; P456-A460 PolarHBondContact O-N 3.01Å; P456-A460 VanDerWaalsContact O-N 3.1Å
457	V	94	Very high	86	Confident	3 Å²	3	33.2 Å²	33.2	2%	0.018	18%	0.177	C	C	.	.	H	α-helix	trans	-72.3	-41.5	175.9	-177.7	0	0	0	0	110.4	V349 F360 D361 C362 L453 E454 K455 C459 A460 L461	V349-V457 HydrophobicContact CG2-CG1 3.87Å; F360-V457 HydrophobicContact CB-CG1 3.89Å; F360-V457 HydrophobicContact CD2-CG1 4.12Å; F360-V457 HydrophobicContact CG-CG1 4.31Å; D361-V457 WeakPolarHBondContact O-CG2 3.49Å; C362-V457 HydrophobicContact CB-CG2 3.78Å; L453-V457 HydrophobicContact CD1-CG1 4.31Å; E454-V457 HydrophobicContact CB-CG2 4.33Å; E454-V457 WeakPolarHBondContact O-CA 3.44Å; E454-V457 WeakPolarHBondContact O-CB 3.32Å; E454-V457 PolarHBondContact O-N 2.97Å; K455-V457 VanDerWaalsContact C-N 3.26Å; K455-V457 PolarHBondContact O-N 3.33Å; V457-C459 VanDerWaalsContact C-N 3.33Å; V457-C459 PolarHBondContact O-N 3.09Å; V457-A460 PolarHBondContact O-N 2.92Å; V457-L461 VanDerWaalsContact O-CB 3.26Å; V457-L461 WeakPolarHBondContact O-CB 3.46Å; V457-L461 PolarHBondContact O-N 2.91Å
458	I	93.8	Very high	87.6	Confident	1 Å²	1	32 Å²	32	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-60.7	-43	174.5	-64.1	178.8	0	0	0	110.8	Y423 F427 V430 L453 E454 K455 L461 A462	Y423-I458 HydrophobicContact CE2-CB 4.37Å; Y423-I458 HydrophobicContact CE2-CD1 4.26Å; Y423-I458 HydrophobicContact CE2-CG2 4.29Å; F427-I458 HydrophobicContact CB-CG2 4.49Å; F427-I458 HydrophobicContact CD2-CD1 4.38Å; F427-I458 HydrophobicContact CD2-CG2 4.44Å; V430-I458 HydrophobicContact CG2-CG2 4.29Å; L453-I458 HydrophobicContact CB-CD1 4.33Å; L453-I458 HydrophobicContact CB-CG1 3.94Å; L453-I458 VanDerWaalsContact O-CD1 3.27Å; L453-I458 WeakPolarHBondContact O-CD1 3.49Å; E454-I458 PolarHBondContact O-N 2.96Å; K455-I458 PolarHBondContact O-N 3.14Å; I458-L461 PolarHBondContact O-N 3.34Å; I458-A462 PolarHBondContact O-N 3.26Å
459	C	94.1	Very high	89.1	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.007	16%	0.164	C	C	.	.	H	α-helix	trans	-59.1	-46.3	174.3	-68	0	0	0	0	112.6	Y330 F421 K455 V457 A463	Y330-C459 HydrophobicContact CD1-CB 3.47Å; Y330-C459 VanDerWaalsContact CD1-CB 3.47Å; Y330-C459 HydrophobicContact CD2-CB 4.21Å; Y330-C459 HydrophobicContact CE1-CB 3.64Å; Y330-C459 HydrophobicContact CE2-CB 4.35Å; Y330-C459 HydrophobicContact CG-CB 3.76Å; F421-C459 WeakPolarHBondContact O-CB 3.43Å; F421-C459 PolarHBondContact O-SG 2.85Å; K455-C459 PolarHBondContact O-N 2.81Å; K455-C459 PolarHBondContact O-SG 2.93Å; V457-C459 VanDerWaalsContact C-N 3.33Å; V457-C459 PolarHBondContact O-N 3.09Å; C459-A463 PolarHBondContact O-N 3.25Å
460	A	94.9	Very high	90.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-67.1	-41	176.8	0	0	0	0	0	112.5	C328 V349 P456 V457 A463 V464	C328-A460 HydrophobicContact CB-CB 4.36Å; C328-A460 PolarHBondContact SG-O 3.43Å; V349-A460 HydrophobicContact CB-CB 4.21Å; V349-A460 HydrophobicContact CG2-CB 3.81Å; P456-A460 PolarHBondContact O-N 3.01Å; P456-A460 VanDerWaalsContact O-N 3.1Å; V457-A460 PolarHBondContact O-N 2.92Å; A460-A463 PolarHBondContact O-N 3.31Å; A460-V464 WeakPolarHBondContact O-CG2 3.46Å; A460-V464 PolarHBondContact O-N 3.11Å
461	L	95.1	Very high	91.7	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.01	16%	0.159	C	C	.	.	H	α-helix	trans	-63.9	-42	179.5	-179.3	60.8	0	0	0	111.9	V349 V430 V450 V457 I458 A463 V464 I465 F483	V349-L461 HydrophobicContact CG1-CD1 4.33Å; V349-L461 HydrophobicContact CG2-CB 4.16Å; V430-L461 HydrophobicContact CG2-CD2 4.36Å; V430-L461 HydrophobicContact CG2-CG 4.34Å; V450-L461 HydrophobicContact CG1-CD2 4.11Å; V457-L461 VanDerWaalsContact O-CB 3.26Å; V457-L461 WeakPolarHBondContact O-CB 3.46Å; V457-L461 PolarHBondContact O-N 2.91Å; I458-L461 PolarHBondContact O-N 3.34Å; L461-A463 VanDerWaalsContact C-N 3.32Å; L461-A463 PolarHBondContact O-N 3.46Å; L461-V464 PolarHBondContact O-N 3.1Å; L461-I465 HydrophobicContact CD1-CD1 4.28Å; L461-I465 HydrophobicContact CD1-CG1 4.32Å; L461-I465 HydrophobicContact CG-CD1 3.94Å; L461-I465 HydrophobicContact CG-CG1 4.43Å; L461-I465 WeakPolarHBondContact O-CG1 3.32Å; L461-I465 PolarHBondContact O-N 3.49Å; L461-F483 HydrophobicContact CD1-CE2 4.27Å; L461-F483 HydrophobicContact CD2-CE2 4.35Å
462	A	94.8	Very high	92.9	Very high	1 Å²	1	35 Å²	35	1%	0.008	17%	0.166	C	C	.	.	H	α-helix	trans	-59.9	-41.5	176.5	0	0	0	0	0	112.6	A426 T429 V430 I458 R466	A426-A462 VanDerWaalsContact CA-CB 3.46Å; A426-A462 HydrophobicContact CB-CB 3.5Å; A426-A462 VanDerWaalsContact CB-CB 3.5Å; T429-A462 HydrophobicContact CG2-CB 4.38Å; V430-A462 HydrophobicContact CG2-CB 3.99Å; I458-A462 PolarHBondContact O-N 3.26Å; A462-R466 WeakPolarHBondContact O-CB 3.46Å; A462-R466 PolarHBondContact O-N 3.28Å
463	A	95.9	Very high	93.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65.5	-41.4	174.7	0	0	0	0	0	111.9	L385 M416 F421 C459 A460 L461 R466 Y467	L385-A463 HydrophobicContact CD2-CB 4.29Å; M416-A463 HydrophobicContact SD-CB 4.47Å; F421-A463 HydrophobicContact CD1-CB 3.88Å; F421-A463 HydrophobicContact CE1-CB 3.39Å; F421-A463 HydrophobicContact CE2-CB 4.15Å; F421-A463 HydrophobicContact CG-CB 4.46Å; F421-A463 HydrophobicContact CZ-CB 3.55Å; C459-A463 PolarHBondContact O-N 3.25Å; A460-A463 PolarHBondContact O-N 3.31Å; L461-A463 VanDerWaalsContact C-N 3.32Å; L461-A463 PolarHBondContact O-N 3.46Å; A463-R466 PolarHBondContact O-N 2.91Å; A463-Y467 WeakPolarHBondContact O-CB 3.32Å; A463-Y467 PolarHBondContact O-N 3.03Å
464	V	96.3	Very high	94.1	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62.7	-46.7	174.7	173.4	0	0	0	0	111.6	C328 V349 V351 L385 A460 L461 R466 Y467 L468 L477	C328-V464 HydrophobicContact CB-CG2 3.31Å; V349-V464 HydrophobicContact CB-CG2 4.25Å; V349-V464 HydrophobicContact CG1-CB 4.47Å; V349-V464 HydrophobicContact CG1-CG2 4.02Å; V351-V464 HydrophobicContact CG1-CG1 4.03Å; V351-V464 HydrophobicContact CG2-CG1 4.1Å; L385-V464 HydrophobicContact CD2-CG2 4.18Å; A460-V464 WeakPolarHBondContact O-CG2 3.46Å; A460-V464 PolarHBondContact O-N 3.11Å; L461-V464 PolarHBondContact O-N 3.1Å; V464-R466 VanDerWaalsContact C-N 3.27Å; V464-R466 PolarHBondContact O-N 3.39Å; V464-Y467 PolarHBondContact O-N 3.11Å; V464-L468 HydrophobicContact CG1-CD1 4.09Å; V464-L468 HydrophobicContact CG1-CD2 4.13Å; V464-L468 WeakPolarHBondContact O-CB 3.29Å; V464-L468 PolarHBondContact O-N 3.26Å; V464-L477 HydrophobicContact CG1-CD1 4.16Å
465	I	95.3	Very high	94.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-56.5	-43.6	174.8	-70.3	165.5	0	0	0	110.4	V430 F433 L461 K469 L477	V430-I465 HydrophobicContact CG2-CD1 3.98Å; F433-I465 HydrophobicContact CB-CD1 4.34Å; F433-I465 HydrophobicContact CB-CG2 4.26Å; F433-I465 HydrophobicContact CD1-CD1 3.83Å; F433-I465 HydrophobicContact CD1-CG1 4.28Å; F433-I465 HydrophobicContact CD1-CG2 4.48Å; F433-I465 HydrophobicContact CD2-CG2 4.02Å; F433-I465 HydrophobicContact CE1-CD1 4.44Å; F433-I465 HydrophobicContact CE2-CG2 4.5Å; F433-I465 HydrophobicContact CG-CD1 4.2Å; F433-I465 HydrophobicContact CG-CG2 4Å; L461-I465 HydrophobicContact CD1-CD1 4.28Å; L461-I465 HydrophobicContact CD1-CG1 4.32Å; L461-I465 HydrophobicContact CG-CD1 3.94Å; L461-I465 HydrophobicContact CG-CG1 4.43Å; L461-I465 WeakPolarHBondContact O-CG1 3.32Å; L461-I465 PolarHBondContact O-N 3.49Å; I465-K469 HydrophobicContact CG2-CD 4.16Å; I465-K469 WeakPolarHBondContact O-CD 3.3Å; I465-K469 VanDerWaalsContact O-CG 3.27Å; I465-K469 WeakPolarHBondContact O-CG 3.48Å; I465-K469 PolarHBondContact O-N 3.05Å; I465-L477 HydrophobicContact CB-CD1 4.33Å; I465-L477 HydrophobicContact CG1-CD1 3.54Å
466	R	95.1	Very high	94.1	Very high	100 Å²	100	22.3 Å²	22.3	38%	0.377	10%	0.102	S	C	.	.	H	α-helix	trans	-66.5	-45.9	178.7	-176.1	175.8	173	87.5	11.4	112	M416 Y420 A462 A463 V464 K469	M416-R466 HydrophobicContact CE-CB 4.15Å; M416-R466 HydrophobicContact CE-CG 3.8Å; Y420-R466 PolarHBondContact OH-NH2 3.34Å; A462-R466 WeakPolarHBondContact O-CB 3.46Å; A462-R466 PolarHBondContact O-N 3.28Å; A463-R466 PolarHBondContact O-N 2.91Å; V464-R466 VanDerWaalsContact C-N 3.27Å; V464-R466 PolarHBondContact O-N 3.39Å; R466-K469 PolarHBondContact O-N 2.94Å
467	Y	95.9	Very high	94	Very high	1 Å²	1	22.3 Å²	22.3	0%	0.004	10%	0.102	C	C	.	.	H	α-helix	trans	-64.1	-49.1	179.7	-169.8	-123.6	0	0	0	111.1	L326 E383 L385 E414 A463 V464 K469 E470 F471	L326-Y467 HydrophobicContact CD1-CE1 4.16Å; L326-Y467 HydrophobicContact CD2-CD1 3.76Å; L326-Y467 HydrophobicContact CD2-CE1 4.03Å; E383-Y467 PolarHBondContact OE1-OH 2.93Å; L385-Y467 HydrophobicContact CD1-CD1 4.15Å; L385-Y467 HydrophobicContact CD1-CD2 4.1Å; L385-Y467 HydrophobicContact CD1-CE1 4.43Å; L385-Y467 HydrophobicContact CD1-CE2 4.41Å; L385-Y467 HydrophobicContact CD1-CG 3.96Å; L385-Y467 HydrophobicContact CD2-CD1 4.23Å; L385-Y467 HydrophobicContact CD2-CG 4.14Å; E414-Y467 HydrophobicContact CG-CD2 4.34Å; E414-Y467 HydrophobicContact CG-CE2 3.61Å; E414-Y467 WeakPolarHBondContact OE1-CE2 3.18Å; A463-Y467 WeakPolarHBondContact O-CB 3.32Å; A463-Y467 PolarHBondContact O-N 3.03Å; V464-Y467 PolarHBondContact O-N 3.11Å; Y467-K469 VanDerWaalsContact C-N 3.25Å; Y467-K469 PolarHBondContact O-N 3.29Å; Y467-E470 VanDerWaalsContact O-CB 3.31Å; Y467-E470 WeakPolarHBondContact O-CB 3.15Å; Y467-E470 PolarHBondContact O-N 2.74Å; Y467-F471 AromaticContact CD1-CE2 4Å; Y467-F471 HydrophobicContact CD1-CE2 4Å; Y467-F471 HydrophobicContact CD2-CE2 4.02Å; Y467-F471 AromaticContact CE1-CE2 3.71Å; Y467-F471 HydrophobicContact CE1-CE2 3.71Å; Y467-F471 HydrophobicContact CE1-CZ 4.16Å; Y467-F471 AromaticContact CE2-CE2 3.69Å; Y467-F471 HydrophobicContact CE2-CE2 3.69Å; Y467-F471 HydrophobicContact CE2-CZ 4.18Å; Y467-F471 HydrophobicContact CG-CE2 4.17Å; Y467-F471 AromaticContact CZ-CE2 3.55Å; Y467-F471 AromaticContact CZ-CZ 3.79Å; Y467-F471 VanDerWaalsContact O-CD2 3.29Å; Y467-F471 WeakPolarHBondContact O-CD2 3.41Å
468	L	95.6	Very high	93.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-64.8	-25.2	-177.7	-90.6	56.3	0	0	0	113.7	L326 V351 V464 E470 F471 N472 L473 E474 M476 L477	L326-L468 HydrophobicContact CD2-CD1 3.71Å; V351-L468 HydrophobicContact CG2-CD2 4.35Å; V464-L468 HydrophobicContact CG1-CD1 4.09Å; V464-L468 HydrophobicContact CG1-CD2 4.13Å; V464-L468 WeakPolarHBondContact O-CB 3.29Å; V464-L468 PolarHBondContact O-N 3.26Å; L468-E470 VanDerWaalsContact C-N 3.31Å; L468-E470 PolarHBondContact O-N 3.37Å; L468-F471 CarbonylContact O-C 3.59Å; L468-F471 PolarHBondContact O-N 3.41Å; L468-F471 VanDerWaalsContact O-N 3.15Å; L468-N472 PolarHBondContact O-N 2.92Å; L468-L473 HydrophobicContact CB-CB 4.35Å; L468-L473 HydrophobicContact CG-CB 4.19Å; L468-L473 PolarHBondContact O-N 3.36Å; L468-E474 HydrophobicContact CB-CB 4.26Å; L468-M476 HydrophobicContact CD2-CE 3.55Å; L468-M476 HydrophobicContact CD2-SD 4.17Å; L468-L477 HydrophobicContact CD2-CD1 4.21Å; L468-L477 HydrophobicContact CD2-CG 4.48Å
469	K	94.6	Very high	93.2	Very high	73 Å²	73	26.2 Å²	26.2	32%	0.317	12%	0.12	S	C	.	.	H	α-helix	trans	-62.2	-33.7	169.7	-80.1	167.5	179.6	171.6	0	112.9	I465 R466 Y467 F471 N472 E474	I465-K469 HydrophobicContact CG2-CD 4.16Å; I465-K469 WeakPolarHBondContact O-CD 3.3Å; I465-K469 VanDerWaalsContact O-CG 3.27Å; I465-K469 WeakPolarHBondContact O-CG 3.48Å; I465-K469 PolarHBondContact O-N 3.05Å; R466-K469 PolarHBondContact O-N 2.94Å; Y467-K469 VanDerWaalsContact C-N 3.25Å; Y467-K469 PolarHBondContact O-N 3.29Å; K469-F471 PolarHBondContact O-N 2.98Å; K469-N472 PolarHBondContact O-N 3.25Å; K469-E474 HydrophobicContact CG-CB 3.88Å; K469-E474 HydrophobicContact CG-CG 3.64Å; K469-E474 WeakPolarHBondContact CG-OE1 3.14Å
470	E	93.7	Very high	92.5	Very high	76 Å²	76	27 Å²	27	36%	0.355	13%	0.125	S	C	.	.	H	α-helix	trans	-63.8	-29.5	174.8	-57.4	-178.1	-172.9	0	0	111.7	L291 Y467 L468	L291-E470 HydrophobicContact CD1-CB 4.31Å; Y467-E470 VanDerWaalsContact O-CB 3.31Å; Y467-E470 WeakPolarHBondContact O-CB 3.15Å; Y467-E470 PolarHBondContact O-N 2.74Å; L468-E470 VanDerWaalsContact C-N 3.31Å; L468-E470 PolarHBondContact O-N 3.37Å
471	F	94.4	Very high	91.8	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.009	15%	0.151	C	C	.	.	H	α-helix	trans	-92	-10.5	177.5	-62	-96.2	0	0	0	113.6	L291 T293 T296 Y467 L468 K469 L473 K590	L291-F471 HydrophobicContact CB-CD1 3.67Å; L291-F471 HydrophobicContact CB-CE1 3.58Å; L291-F471 HydrophobicContact CB-CG 4.46Å; L291-F471 HydrophobicContact CB-CZ 4.31Å; L291-F471 WeakPolarHBondContact O-CD1 3.49Å; T293-F471 HydrophobicContact CG2-CE1 3.94Å; T293-F471 HydrophobicContact CG2-CZ 3.76Å; T296-F471 HydrophobicContact CG2-CD1 3.75Å; T296-F471 HydrophobicContact CG2-CD2 4.37Å; T296-F471 HydrophobicContact CG2-CE1 3.89Å; T296-F471 HydrophobicContact CG2-CG 4.02Å; T296-F471 HydrophobicContact CG2-CZ 4.28Å; T296-F471 WeakPolarHBondContact OG1-CD1 3.44Å; T296-F471 VanDerWaalsContact OG1-CE1 3.24Å; T296-F471 WeakPolarHBondContact OG1-CE1 3.41Å; Y467-F471 AromaticContact CD1-CE2 4Å; Y467-F471 HydrophobicContact CD1-CE2 4Å; Y467-F471 HydrophobicContact CD2-CE2 4.02Å; Y467-F471 AromaticContact CE1-CE2 3.71Å; Y467-F471 HydrophobicContact CE1-CE2 3.71Å; Y467-F471 HydrophobicContact CE1-CZ 4.16Å; Y467-F471 AromaticContact CE2-CE2 3.69Å; Y467-F471 HydrophobicContact CE2-CE2 3.69Å; Y467-F471 HydrophobicContact CE2-CZ 4.18Å; Y467-F471 HydrophobicContact CG-CE2 4.17Å; Y467-F471 AromaticContact CZ-CE2 3.55Å; Y467-F471 AromaticContact CZ-CZ 3.79Å; Y467-F471 VanDerWaalsContact O-CD2 3.29Å; Y467-F471 WeakPolarHBondContact O-CD2 3.41Å; L468-F471 CarbonylContact O-C 3.59Å; L468-F471 PolarHBondContact O-N 3.41Å; L468-F471 VanDerWaalsContact O-N 3.15Å; K469-F471 PolarHBondContact O-N 2.98Å; F471-L473 HydrophobicContact CB-CB 4.26Å; F471-L473 HydrophobicContact CB-CD1 3.65Å; F471-L473 HydrophobicContact CB-CG 3.8Å; F471-L473 HydrophobicContact CG-CD1 4.36Å; F471-K590 PolarHBondContact O-NZ 3.12Å
472	N	93.6	Very high	91.1	Very high	102 Å²	102	34.6 Å²	34.6	55%	0.545	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	55.2	-164.9	-55.2	-109.9	0	0	0	110.8	L468 K469 E474 K590	L468-N472 PolarHBondContact O-N 2.92Å; K469-N472 PolarHBondContact O-N 3.25Å; N472-E474 VanDerWaalsContact CA-OE2 3.3Å; N472-E474 WeakPolarHBondContact CA-OE2 3.38Å; N472-K590 WeakPolarHBondContact O-CE 3.36Å; N472-K590 PolarHBondContact O-NZ 3.12Å
473	L	94.6	Very high	90.8	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	17%	0.171	C	C	.	.			trans	-128	0.8	179.6	-68	175.3	0	0	0	112.9	T296 I298 P353 L468 F471 K475 M476 H588 K590	T296-L473 HydrophobicContact CG2-CD1 3.85Å; I298-L473 HydrophobicContact CB-CD2 4.13Å; I298-L473 HydrophobicContact CG1-CD1 4.31Å; I298-L473 HydrophobicContact CG1-CD2 4.15Å; I298-L473 HydrophobicContact CG2-CD2 4.21Å; P353-L473 HydrophobicContact CB-CD1 4.09Å; L468-L473 HydrophobicContact CB-CB 4.35Å; L468-L473 HydrophobicContact CG-CB 4.19Å; L468-L473 PolarHBondContact O-N 3.36Å; F471-L473 HydrophobicContact CB-CB 4.26Å; F471-L473 HydrophobicContact CB-CD1 3.65Å; F471-L473 HydrophobicContact CB-CG 3.8Å; F471-L473 HydrophobicContact CG-CD1 4.36Å; L473-K475 PolarHBondContact O-N 3.01Å; L473-M476 WeakPolarHBondContact O-CG 3.36Å; L473-H588 HydrophobicContact CD2-CB 4.22Å; L473-H588 PolarHBondContact O-CE1 3.36Å; L473-H588 VanDerWaalsContact O-CE1 3.24Å; L473-K590 HydrophobicContact CD2-CD 4.42Å; L473-K590 VanDerWaalsContact CD2-NZ 3.29Å
474	E	92.9	Very high	90.5	Very high	47 Å²	47	40.7 Å²	40.7	22%	0.22	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-64.6	-20.9	-176.5	72.4	-83.3	-150.8	0	0	114	F433 L468 K469 N472 M476 L477	F433-E474 HydrophobicContact CE2-CB 4.21Å; F433-E474 HydrophobicContact CE2-CG 3.92Å; F433-E474 HydrophobicContact CZ-CB 4.44Å; F433-E474 HydrophobicContact CZ-CG 4.49Å; L468-E474 HydrophobicContact CB-CB 4.26Å; K469-E474 HydrophobicContact CG-CB 3.88Å; K469-E474 HydrophobicContact CG-CG 3.64Å; K469-E474 WeakPolarHBondContact CG-OE1 3.14Å; N472-E474 VanDerWaalsContact CA-OE2 3.3Å; N472-E474 WeakPolarHBondContact CA-OE2 3.38Å; E474-M476 PolarHBondContact O-N 2.98Å; E474-M476 VanDerWaalsContact O-N 3.08Å; E474-L477 WeakPolarHBondContact O-CB 3.25Å; E474-L477 PolarHBondContact O-N 3.49Å
475	K	89.7	Confident	90.3	Very high	51 Å²	51	45.8 Å²	45.8	22%	0.222	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-53.9	-31.5	-178.8	-165.6	-175	179.1	-178.4	0	113.2	L473 L477 S478 Y587 E770	L473-K475 PolarHBondContact O-N 3.01Å; K475-L477 PolarHBondContact O-N 3.2Å; K475-S478 WeakPolarHBondContact O-CB 3.45Å; K475-S478 PolarHBondContact O-N 3.39Å; K475-S478 PolarHBondContact O-OG 2.71Å; K475-Y587 HydrophobicContact CB-CE1 4.16Å; K475-Y587 HydrophobicContact CD-CD1 4.3Å; K475-Y587 HydrophobicContact CD-CE1 3.87Å; K475-Y587 HydrophobicContact CD-CE2 4.41Å; K475-Y587 HydrophobicContact CG-CE1 3.73Å; K475-Y587 PolarHBondContact O-OH 2.9Å; K475-E770 IonicContact NZ-OE1 2.87Å; K475-E770 PolarHBondContact NZ-OE1 2.88Å; K475-E770 IonicContact NZ-OE2 3.94Å; K475-E770 PolarHBondContact NZ-OE2 2.76Å
476	M	90.3	Very high	89.9	Confident	7 Å²	7	47.2 Å²	47.2	3%	0.034	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-66.4	-15.9	177.7	72.8	-165.3	-142.7	0	0	113.9	V351 P353 V358 L468 L473 E474	V351-M476 HydrophobicContact CB-CE 3.55Å; V351-M476 HydrophobicContact CG1-CE 4.03Å; V351-M476 HydrophobicContact CG2-CE 3.98Å; P353-M476 HydrophobicContact CB-SD 4.2Å; P353-M476 HydrophobicContact CG-CE 4.2Å; P353-M476 HydrophobicContact CG-SD 4.44Å; V358-M476 HydrophobicContact CG2-CE 4.44Å; L468-M476 HydrophobicContact CD2-CE 3.55Å; L468-M476 HydrophobicContact CD2-SD 4.17Å; L473-M476 WeakPolarHBondContact O-CG 3.36Å; E474-M476 PolarHBondContact O-N 2.98Å; E474-M476 VanDerWaalsContact O-N 3.08Å
477	L	90.1	Very high	89.3	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-87.1	-5	178.5	-53.5	176.7	0	0	0	112.8	V351 V358 F433 Y434 V464 I465 L468 E474 K475 K479 F483	V351-L477 HydrophobicContact CG1-CD2 4.26Å; V358-L477 HydrophobicContact CG1-CD2 4.4Å; V358-L477 HydrophobicContact CG2-CD2 3.77Å; F433-L477 HydrophobicContact CE1-CB 3.84Å; F433-L477 HydrophobicContact CZ-CB 4.05Å; Y434-L477 WeakPolarHBondContact CE1-O 3.48Å; Y434-L477 PolarHBondContact OH-O 3.24Å; V464-L477 HydrophobicContact CG1-CD1 4.16Å; I465-L477 HydrophobicContact CB-CD1 4.33Å; I465-L477 HydrophobicContact CG1-CD1 3.54Å; L468-L477 HydrophobicContact CD2-CD1 4.21Å; L468-L477 HydrophobicContact CD2-CG 4.48Å; E474-L477 WeakPolarHBondContact O-CB 3.25Å; E474-L477 PolarHBondContact O-N 3.49Å; K475-L477 PolarHBondContact O-N 3.2Å; L477-K479 VanDerWaalsContact C-N 3.26Å; L477-K479 PolarHBondContact O-N 2.94Å; L477-F483 HydrophobicContact CB-CZ 4.39Å; L477-F483 HydrophobicContact CD2-CZ 4.38Å
478	S	86	Confident	88.6	Confident	10 Å²	10	45.3 Å²	45.3	7%	0.07	23%	0.225	C	C	.	.	S	Bend	trans	-65.4	-22.2	-174.5	61.1	0	0	0	0	114.6	E437 K475 P480 Y587	E437-S478 WeakPolarHBondContact OE1-CB 3.34Å; E437-S478 WeakPolarHBondContact OE2-CB 3.26Å; K475-S478 WeakPolarHBondContact O-CB 3.45Å; K475-S478 PolarHBondContact O-N 3.39Å; K475-S478 PolarHBondContact O-OG 2.71Å; S478-P480 WeakPolarHBondContact O-CD 3.48Å; S478-Y587 PolarHBondContact OG-OH 2.66Å
479	K	83.4	Confident	87.6	Confident	77 Å²	77	47.5 Å²	47.5	34%	0.335	25%	0.248	S	C	.	.			trans	-116.5	88.2	-177.2	-58	-132.7	-174.9	-161.7	0	112.3	L477 E481 S482 H777	L477-K479 VanDerWaalsContact C-N 3.26Å; L477-K479 PolarHBondContact O-N 2.94Å; K479-E481 VanDerWaalsContact CA-OE2 3.29Å; K479-E481 WeakPolarHBondContact CA-OE2 3.36Å; K479-E481 WeakPolarHBondContact CB-OE2 3.17Å; K479-E481 PolarHBondContact O-N 2.89Å; K479-E481 VanDerWaalsContact O-N 3.12Å; K479-S482 WeakPolarHBondContact O-CB 3.48Å; K479-S482 PolarHBondContact O-N 2.89Å; K479-S482 VanDerWaalsContact O-N 3.09Å; K479-S482 PolarHBondContact O-OG 3.32Å; K479-H777 WeakPolarHBondContact CD-NE2 3.33Å
480	P	80.3	Confident	87	Confident	17 Å²	17	51.9 Å²	51.9	11%	0.11	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-58	-22.2	178.9	-25	35.8	0	0	0	114.3	Y434 V450 S478 S482 F483	Y434-P480 HydrophobicContact CD1-CG 4.34Å; Y434-P480 HydrophobicContact CE1-CG 3.65Å; V450-P480 HydrophobicContact CG2-CB 3.56Å; V450-P480 HydrophobicContact CG2-CG 3.34Å; S478-P480 WeakPolarHBondContact O-CD 3.48Å; P480-S482 PolarHBondContact O-N 3.08Å; P480-S482 VanDerWaalsContact O-N 3.11Å; P480-F483 HydrophobicContact CB-CE2 4.49Å; P480-F483 VanDerWaalsContact O-CB 3.32Å; P480-F483 WeakPolarHBondContact O-CB 3.3Å; P480-F483 WeakPolarHBondContact O-CG 3.49Å; P480-F483 PolarHBondContact O-N 3.23Å
481	E	79.3	Confident	86.8	Confident	119 Å²	119	51.5 Å²	51.5	56%	0.556	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-66.2	-11.8	178.2	-47.8	74.4	-160.7	0	0	112.3	S446 K479	S446-E481 WeakPolarHBondContact CA-OE1 3.33Å; S446-E481 VanDerWaalsContact CB-OE1 3.29Å; S446-E481 WeakPolarHBondContact CB-OE1 3.37Å; S446-E481 PolarHBondContact OG-OE1 3.36Å; K479-E481 VanDerWaalsContact CA-OE2 3.29Å; K479-E481 WeakPolarHBondContact CA-OE2 3.36Å; K479-E481 WeakPolarHBondContact CB-OE2 3.17Å; K479-E481 PolarHBondContact O-N 2.89Å; K479-E481 VanDerWaalsContact O-N 3.12Å
482	S	81.2	Confident	86.8	Confident	42 Å²	42	53.7 Å²	53.7	29%	0.294	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-93.2	-7.7	173.7	68.5	0	0	0	0	114.2	K479 P480	K479-S482 WeakPolarHBondContact O-CB 3.48Å; K479-S482 PolarHBondContact O-N 2.89Å; K479-S482 VanDerWaalsContact O-N 3.09Å; K479-S482 PolarHBondContact O-OG 3.32Å; P480-S482 PolarHBondContact O-N 3.08Å; P480-S482 VanDerWaalsContact O-N 3.11Å
483	F	89.2	Confident	86.8	Confident	29 Å²	29	49.1 Å²	49.1	13%	0.127	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-77	129.2	-174.3	-66.8	10.8	0	0	0	110.3	V358 F360 Y434 L461 L477 P480	V358-F483 HydrophobicContact CB-CD1 3.56Å; V358-F483 HydrophobicContact CB-CE1 3.89Å; V358-F483 HydrophobicContact CB-CG 4.1Å; V358-F483 HydrophobicContact CG1-CB 4.3Å; V358-F483 HydrophobicContact CG1-CD1 3.47Å; V358-F483 VanDerWaalsContact CG1-CD1 3.47Å; V358-F483 HydrophobicContact CG1-CD2 3.93Å; V358-F483 HydrophobicContact CG1-CE1 3.66Å; V358-F483 HydrophobicContact CG1-CE2 4.1Å; V358-F483 HydrophobicContact CG1-CG 3.62Å; V358-F483 HydrophobicContact CG1-CZ 3.97Å; V358-F483 HydrophobicContact CG2-CD1 4.07Å; V358-F483 HydrophobicContact CG2-CE1 3.92Å; F360-F483 HydrophobicContact CD1-CB 3.94Å; F360-F483 HydrophobicContact CE1-CB 3.87Å; Y434-F483 WeakPolarHBondContact OH-CZ 3.38Å; L461-F483 HydrophobicContact CD1-CE2 4.27Å; L461-F483 HydrophobicContact CD2-CE2 4.35Å; L477-F483 HydrophobicContact CB-CZ 4.39Å; L477-F483 HydrophobicContact CD2-CZ 4.38Å; P480-F483 HydrophobicContact CB-CE2 4.49Å; P480-F483 VanDerWaalsContact O-CB 3.32Å; P480-F483 WeakPolarHBondContact O-CB 3.3Å; P480-F483 WeakPolarHBondContact O-CG 3.49Å; P480-F483 PolarHBondContact O-N 3.23Å
484	K	89.5	Confident	86.7	Confident	100 Å²	100	54.4 Å²	54.4	44%	0.435	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	133	-179	-59.6	178	-171.8	173.9	0	110.6	E357 V358 V359 F360	E357-K484 WeakPolarHBondContact OE1-CD 3.26Å; E357-K484 WeakPolarHBondContact OE1-CE 3.47Å; E357-K484 IonicContact OE1-NZ 3.37Å; E357-K484 PolarHBondContact OE1-NZ 2.99Å; V358-K484 PolarHBondContact O-N 2.88Å; V359-K484 CarbonylContact C-O 3.5Å; V359-K484 VanDerWaalsContact CA-O 3.28Å; V359-K484 WeakPolarHBondContact CA-O 3.3Å; F360-K484 WeakPolarHBondContact CD1-O 3.42Å; F360-K484 PolarHBondContact N-O 2.66Å
485	Q	90.8	Very high	86.6	Confident	107 Å²	107	52.9 Å²	52.9	50%	0.5	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	129	167.3	-173.3	172.7	-11.5	0	0	109.4	F360 S487	F360-Q485 HydrophobicContact CE1-CB 4.37Å; F360-Q485 HydrophobicContact CE2-CB 4.24Å; F360-Q485 HydrophobicContact CE2-CG 4.32Å; F360-Q485 HydrophobicContact CZ-CB 3.98Å; F360-Q485 CarbonylContact O-C 3.6Å; F360-Q485 WeakPolarHBondContact O-CA 3.37Å; Q485-S487 PolarHBondContact NE2-O 3.44Å; Q485-S487 VanDerWaalsContact NE2-O 3.11Å
486	L	87.1	Confident	86.5	Confident	30 Å²	30	51.5 Å²	51.5	16%	0.157	26%	0.262	C	S	.	.	S	Bend	trans	-73.5	-35.1	-174.1	-174.1	51.2	0	0	0	113.2	I348 V359 F360 D361 R375	I348-L486 HydrophobicContact CD1-CD2 4.04Å; V359-L486 HydrophobicContact CG1-CB 3.59Å; V359-L486 HydrophobicContact CG1-CD1 3.93Å; V359-L486 HydrophobicContact CG1-CD2 4.07Å; V359-L486 HydrophobicContact CG1-CG 4.06Å; F360-L486 PolarHBondContact O-N 3.29Å; D361-L486 HydrophobicContact CB-CB 3.97Å; R375-L486 HydrophobicContact CB-CD2 4.25Å; R375-L486 HydrophobicContact CG-CD2 4.31Å
487	S	82.4	Confident	86.3	Confident	38 Å²	38	51.2 Å²	51.2	27%	0.266	26%	0.261	S	S	.	.			trans	-117.5	114.2	177.1	72.2	0	0	0	0	111.4	D361 R375 Q485	D361-S487 PolarHBondContact OD1-N 3.42Å; D361-S487 VanDerWaalsContact OD1-N 3.17Å; D361-S487 PolarHBondContact OD1-OG 2.72Å; D361-S487 WeakPolarHBondContact OD2-CB 3.4Å; D361-S487 PolarHBondContact OD2-OG 3.02Å; R375-S487 PolarHBondContact NH2-OG 2.89Å; Q485-S487 PolarHBondContact NE2-O 3.44Å; Q485-S487 VanDerWaalsContact NE2-O 3.11Å
488	S	82.9	Confident	86.2	Confident	24 Å²	24	52.2 Å²	52.2	17%	0.168	27%	0.267	C	S	.	.			trans	-118.1	91.2	175.4	-175	0	0	0	0	109.2	M490 E491 F492	S488-M490 PolarHBondContact O-N 3.18Å; S488-E491 WeakPolarHBondContact CB-OE2 3.36Å; S488-E491 PolarHBondContact O-N 2.64Å; S488-E491 VanDerWaalsContact OG-CG 3.27Å; S488-E491 WeakPolarHBondContact OG-CG 3.37Å; S488-E491 PolarHBondContact OG-OE2 3.11Å; S488-F492 PolarHBondContact O-N 3.18Å
489	G	73.8	Confident	86.5	Confident	46 Å²	46	51.8 Å²	51.8	47%	0.474	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	5.3	-174.1	0	0	0	0	0	115.8
490	M	82.8	Confident	86.9	Confident	165 Å²	165	48.5 Å²	48.5	81%	0.813	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.3	-3.9	172.5	-62.1	-176.5	69.9	0	0	112.8	S488	S488-M490 PolarHBondContact O-N 3.18Å
491	E	87.8	Confident	87.3	Confident	67 Å²	67	51.6 Å²	51.6	31%	0.313	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.2	-33	-172.1	-58.9	-172.2	107.3	0	0	112.9	S488 L543 K544	S488-E491 WeakPolarHBondContact CB-OE2 3.36Å; S488-E491 PolarHBondContact O-N 2.64Å; S488-E491 VanDerWaalsContact OG-CG 3.27Å; S488-E491 WeakPolarHBondContact OG-CG 3.37Å; S488-E491 PolarHBondContact OG-OE2 3.11Å; E491-L543 PolarHBondContact O-N 3.41Å; E491-K544 IonicContact OE1-NZ 3.73Å; E491-K544 PolarHBondContact OE1-NZ 3.25Å
492	F	94.3	Very high	87.8	Confident	48 Å²	48	46.8 Å²	46.8	21%	0.211	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-123.6	143	-174.1	-50.4	-51.4	0	0	0	113.2	S488 Q540 P541 L542	S488-F492 PolarHBondContact O-N 3.18Å; F492-Q540 HydrophobicContact CB-CB 3.89Å; F492-Q540 HydrophobicContact CB-CG 4.43Å; F492-Q540 HydrophobicContact CD1-CB 4.07Å; F492-Q540 HydrophobicContact CD1-CG 3.68Å; F492-Q540 HydrophobicContact CD2-CB 4.2Å; F492-Q540 HydrophobicContact CD2-CG 4.05Å; F492-Q540 HydrophobicContact CE1-CG 3.88Å; F492-Q540 HydrophobicContact CE2-CG 4.24Å; F492-Q540 HydrophobicContact CG-CB 3.79Å; F492-Q540 HydrophobicContact CG-CG 3.79Å; F492-Q540 HydrophobicContact CZ-CG 4.16Å; F492-P541 CarbonylContact C-O 3.57Å; F492-P541 VanDerWaalsContact CA-O 3.27Å; F492-P541 WeakPolarHBondContact CA-O 3.27Å; F492-L542 HydrophobicContact CD1-CD2 4.2Å; F492-L542 HydrophobicContact CE1-CD2 4.02Å
493	M	94.5	Very high	88.4	Confident	7 Å²	7	44.8 Å²	44.8	3%	0.034	22%	0.224	C	C	.	.			trans	-60.8	134.3	173.2	179.6	-165.8	-74.5	0	0	110.7	I495 P541 L543 T871 I872 Q875 V890 D891 I893	M493-I495 HydrophobicContact CG-CG1 4.15Å; M493-I495 PolarHBondContact O-N 3.42Å; M493-I495 HydrophobicContact SD-CD1 4Å; M493-I495 HydrophobicContact SD-CG1 3.97Å; M493-P541 HydrophobicContact CB-CB 4.1Å; M493-P541 HydrophobicContact CE-CB 4.2Å; M493-P541 PolarHBondContact N-O 2.92Å; M493-P541 HydrophobicContact SD-CB 4.26Å; M493-P541 HydrophobicContact SD-CG 4.18Å; M493-L543 HydrophobicContact CB-CD2 4.24Å; M493-T871 HydrophobicContact CE-CG2 4.28Å; M493-I872 HydrophobicContact SD-CG1 4.18Å; M493-Q875 HydrophobicContact CE-CB 4.01Å; M493-Q875 HydrophobicContact CE-CG 4.22Å; M493-V890 HydrophobicContact CE-CB 4.45Å; M493-D891 WeakPolarHBondContact CA-O 3.3Å; M493-I893 HydrophobicContact CE-CD1 3.92Å; M493-I893 HydrophobicContact CE-CG1 4.28Å; M493-I893 HydrophobicContact SD-CB 4.5Å; M493-I893 HydrophobicContact SD-CD1 3.51Å; M493-I893 VanDerWaalsContact SD-CD1 3.51Å; M493-I893 HydrophobicContact SD-CG1 3.67Å
494	R	91.9	Very high	88.6	Confident	112 Å²	112	44.9 Å²	44.9	42%	0.423	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	113.8	175.4	-60.8	173.7	-176.1	165.8	3.1	110.4	D891 G892 I893	R494-D891 PolarHBondContact N-O 2.74Å; R494-G892 CarbonylContact O-C 3.58Å; R494-G892 WeakPolarHBondContact O-CA 3.45Å; R494-I893 PolarHBondContact O-N 2.78Å
495	I	91.8	Very high	88.9	Confident	14 Å²	14	40.1 Å²	40.1	7%	0.072	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	105.9	173.3	-50.6	-176.6	0	0	0	108.9	T374 M493 T499 L500 I505 P541 I872	T374-I495 WeakPolarHBondContact CG2-O 3.49Å; M493-I495 HydrophobicContact CG-CG1 4.15Å; M493-I495 PolarHBondContact O-N 3.42Å; M493-I495 HydrophobicContact SD-CD1 4Å; M493-I495 HydrophobicContact SD-CG1 3.97Å; I495-T499 HydrophobicContact CG2-CG2 3.64Å; I495-L500 HydrophobicContact CG2-CG 3.85Å; I495-I505 HydrophobicContact CD1-CD1 4.23Å; I495-I505 HydrophobicContact CG2-CD1 3.95Å; I495-P541 HydrophobicContact CD1-CG 3.89Å; I495-I872 HydrophobicContact CD1-CD1 4.38Å; I495-I872 HydrophobicContact CD1-CG1 4.45Å
496	N	86.8	Confident	89	Confident	22 Å²	22	35.3 Å²	35.3	12%	0.118	18%	0.182	C	C	.	.			trans	-65.8	155.5	177.6	-67.4	5	0	0	0	111.1	T498 T499 L500	N496-T498 PolarHBondContact O-N 2.95Å; N496-T499 CarbonylContact O-C 3.54Å; N496-T499 WeakPolarHBondContact O-CA 3.19Å; N496-T499 WeakPolarHBondContact O-CB 3.45Å; N496-T499 PolarHBondContact O-N 3.11Å; N496-L500 PolarHBondContact O-N 3.08Å
497	G	86.6	Confident	89.1	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-56.9	-34.7	177.7	0	0	0	0	0	113.7	T374 L500 R501	T374-G497 PolarHBondContact OG1-N 3.29Å; G497-L500 PolarHBondContact O-N 3.13Å; G497-R501 WeakPolarHBondContact O-CG 3.37Å; G497-R501 PolarHBondContact O-N 3.45Å; G497-R501 VanDerWaalsContact O-N 3.14Å; G497-R501 PolarHBondContact O-NE 2.7Å
498	T	87.9	Confident	89.4	Confident	21 Å²	21	35.2 Å²	35.2	13%	0.129	18%	0.177	C	C	.	.	H	α-helix	trans	-65.3	-38.5	170.7	-65.5	0	0	0	0	112	N496 R501 N502	N496-T498 PolarHBondContact O-N 2.95Å; T498-R501 PolarHBondContact O-N 3.09Å; T498-R501 PolarHBondContact OG1-NH2 3.12Å; T498-N502 VanDerWaalsContact CG2-ND2 3.3Å; T498-N502 WeakPolarHBondContact CG2-ND2 3.14Å; T498-N502 VanDerWaalsContact O-CB 3.26Å; T498-N502 WeakPolarHBondContact O-CB 3.47Å; T498-N502 PolarHBondContact O-N 2.67Å; T498-N502 PolarHBondContact O-ND2 3.44Å; T498-N502 PolarHBondContact O-OD1 2.9Å
499	T	91.4	Very high	89.5	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.006	19%	0.188	C	C	.	.	H	α-helix	trans	-68.4	-43.8	172.6	-59.6	0	0	0	0	112.8	I495 N496 R501 N502 L503 I893 T895	I495-T499 HydrophobicContact CG2-CG2 3.64Å; N496-T499 CarbonylContact O-C 3.54Å; N496-T499 WeakPolarHBondContact O-CA 3.19Å; N496-T499 WeakPolarHBondContact O-CB 3.45Å; N496-T499 PolarHBondContact O-N 3.11Å; T499-R501 PolarHBondContact O-N 3.15Å; T499-N502 PolarHBondContact O-N 3.05Å; T499-L503 HydrophobicContact CG2-CD1 3.5Å; T499-L503 VanDerWaalsContact CG2-CD1 3.5Å; T499-L503 HydrophobicContact CG2-CG 3.92Å; T499-L503 WeakPolarHBondContact O-CB 3.03Å; T499-L503 PolarHBondContact O-N 3.07Å; T499-I893 HydrophobicContact CG2-CB 4.42Å; T499-I893 HydrophobicContact CG2-CG2 4.02Å; T499-I893 WeakPolarHBondContact CG2-O 3.18Å; T499-I893 PolarHBondContact OG1-O 3.12Å; T499-T895 VanDerWaalsContact CA-OG1 3.26Å; T499-T895 WeakPolarHBondContact CA-OG1 3.08Å; T499-T895 HydrophobicContact CG2-CG2 3.83Å; T499-T895 PolarHBondContact OG1-N 2.91Å; T499-T895 VanDerWaalsContact OG1-N 3.14Å; T499-T895 PolarHBondContact OG1-OG1 3.1Å; T499-T895 VanDerWaalsContact OG1-OG1 3.09Å
500	L	92.1	Very high	90	Very high	9 Å²	9	42.1 Å²	42.1	5%	0.047	20%	0.203	C	C	.	.	H	α-helix	trans	-52.5	-40.2	174.2	-85.6	151.5	0	0	0	112.2	I495 N496 G497 I505 L506	I495-L500 HydrophobicContact CG2-CG 3.85Å; N496-L500 PolarHBondContact O-N 3.08Å; G497-L500 PolarHBondContact O-N 3.13Å; L500-I505 HydrophobicContact CD2-CB 4.15Å; L500-I505 HydrophobicContact CD2-CD1 4.3Å; L500-I505 HydrophobicContact CD2-CG2 4.19Å; L500-I505 PolarHBondContact O-N 3.39Å; L500-I505 VanDerWaalsContact O-N 3.09Å; L500-L506 HydrophobicContact CD2-CD1 4.22Å; L500-L506 HydrophobicContact CD2-CG 4.21Å
501	R	89.5	Confident	90	Very high	82 Å²	82	38.7 Å²	38.7	31%	0.309	19%	0.188	S	C	.	.	H	α-helix	trans	-75.7	-49.9	174.4	-69.2	-176.7	-67	-142.7	3.2	112.8	E373 G497 T498 T499 L503 E504 Q509	E373-R501 IonicContact OE1-CZ 3.16Å; E373-R501 IonicContact OE1-NH1 2.66Å; E373-R501 PolarHBondContact OE1-NH1 3.2Å; E373-R501 IonicContact OE1-NH2 3.52Å; E373-R501 PolarHBondContact OE1-NH2 2.94Å; E373-R501 VanDerWaalsContact OE1-NH2 3.07Å; G497-R501 WeakPolarHBondContact O-CG 3.37Å; G497-R501 PolarHBondContact O-N 3.45Å; G497-R501 VanDerWaalsContact O-N 3.14Å; G497-R501 PolarHBondContact O-NE 2.7Å; T498-R501 PolarHBondContact O-N 3.09Å; T498-R501 PolarHBondContact OG1-NH2 3.12Å; T499-R501 PolarHBondContact O-N 3.15Å; R501-L503 VanDerWaalsContact C-N 3.34Å; R501-L503 PolarHBondContact O-N 3.16Å; R501-E504 WeakPolarHBondContact O-CG 3.49Å; R501-E504 PolarHBondContact O-N 2.82Å; R501-Q509 PolarHBondContact O-NE2 3.28Å
502	N	90.8	Very high	89.8	Confident	17 Å²	17	39.5 Å²	39.5	9%	0.091	19%	0.193	C	C	.	.	H	α-helix	trans	-64	-38.1	-173.1	-71.8	-12.5	0	0	0	112.8	T498 T499 E504 K865 T895 M897	T498-N502 VanDerWaalsContact CG2-ND2 3.3Å; T498-N502 WeakPolarHBondContact CG2-ND2 3.14Å; T498-N502 VanDerWaalsContact O-CB 3.26Å; T498-N502 WeakPolarHBondContact O-CB 3.47Å; T498-N502 PolarHBondContact O-N 2.67Å; T498-N502 PolarHBondContact O-ND2 3.44Å; T498-N502 PolarHBondContact O-OD1 2.9Å; T499-N502 PolarHBondContact O-N 3.05Å; N502-E504 VanDerWaalsContact C-N 3.31Å; N502-K865 WeakPolarHBondContact O-CE 3.34Å; N502-K865 PolarHBondContact O-NZ 3.12Å; N502-T895 PolarHBondContact ND2-OG1 2.81Å; N502-T895 VanDerWaalsContact ND2-OG1 3.09Å; N502-M897 HydrophobicContact CB-CB 4.33Å
503	L	92.8	Very high	89.4	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	2.2	176.1	-57.9	-176.9	0	0	0	113.1	T499 R501 I505 M824 K865 A868 L869 I872 I893 T895	T499-L503 HydrophobicContact CG2-CD1 3.5Å; T499-L503 VanDerWaalsContact CG2-CD1 3.5Å; T499-L503 HydrophobicContact CG2-CG 3.92Å; T499-L503 WeakPolarHBondContact O-CB 3.03Å; T499-L503 PolarHBondContact O-N 3.07Å; R501-L503 VanDerWaalsContact C-N 3.34Å; R501-L503 PolarHBondContact O-N 3.16Å; L503-I505 VanDerWaalsContact C-N 3.33Å; L503-I505 HydrophobicContact CB-CD1 4.23Å; L503-I505 HydrophobicContact CB-CG1 3.83Å; L503-I505 PolarHBondContact O-N 3.09Å; L503-M824 WeakPolarHBondContact O-CE 3.33Å; L503-K865 HydrophobicContact CD2-CB 4.33Å; L503-K865 HydrophobicContact CD2-CG 4.03Å; L503-A868 HydrophobicContact CD1-CB 3.58Å; L503-A868 HydrophobicContact CD2-CB 3.95Å; L503-A868 HydrophobicContact CG-CB 4.45Å; L503-L869 HydrophobicContact CB-CD2 4.2Å; L503-I872 HydrophobicContact CD1-CD1 3.73Å; L503-I893 HydrophobicContact CD1-CG2 4.17Å; L503-T895 HydrophobicContact CD1-CG2 4.32Å; L503-T895 HydrophobicContact CD2-CG2 4.12Å; L503-T895 HydrophobicContact CG-CG2 4.15Å
504	E	93.7	Very high	89.2	Confident	31 Å²	31	42.9 Å²	42.9	15%	0.145	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	50.4	177.1	-65.6	174	110.9	0	0	112.2	R501 N502 Q507 N508 Q509 S517 L518 M824 K865	R501-E504 WeakPolarHBondContact O-CG 3.49Å; R501-E504 PolarHBondContact O-N 2.82Å; N502-E504 VanDerWaalsContact C-N 3.31Å; E504-Q507 WeakPolarHBondContact CA-O 3.49Å; E504-N508 WeakPolarHBondContact OE1-CA 3.41Å; E504-Q509 HydrophobicContact CG-CG 4.09Å; E504-Q509 PolarHBondContact OE1-N 2.73Å; E504-S517 CarbonylContact O-C 3.52Å; E504-S517 WeakPolarHBondContact O-CA 3.3Å; E504-S517 WeakPolarHBondContact O-CB 3.46Å; E504-L518 PolarHBondContact O-N 3.42Å; E504-M824 HydrophobicContact CB-CE 4.41Å; E504-M824 HydrophobicContact CB-SD 4.32Å; E504-K865 IonicContact OE2-NZ 3.17Å; E504-K865 PolarHBondContact OE2-NZ 3.48Å
505	I	95	Very high	89.1	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	-73.2	-48.8	-169.8	-62	-175.4	0	0	0	111.5	I495 L500 L503 S517 L518 L519 V538 I872	I495-I505 HydrophobicContact CD1-CD1 4.23Å; I495-I505 HydrophobicContact CG2-CD1 3.95Å; L500-I505 HydrophobicContact CD2-CB 4.15Å; L500-I505 HydrophobicContact CD2-CD1 4.3Å; L500-I505 HydrophobicContact CD2-CG2 4.19Å; L500-I505 PolarHBondContact O-N 3.39Å; L500-I505 VanDerWaalsContact O-N 3.09Å; L503-I505 VanDerWaalsContact C-N 3.33Å; L503-I505 HydrophobicContact CB-CD1 4.23Å; L503-I505 HydrophobicContact CB-CG1 3.83Å; L503-I505 PolarHBondContact O-N 3.09Å; I505-S517 PolarHBondContact O-OG 3.36Å; I505-L518 PolarHBondContact O-N 2.88Å; I505-L519 WeakPolarHBondContact O-CB 3.24Å; I505-L519 PolarHBondContact O-N 3.11Å; I505-V538 HydrophobicContact CG2-CG1 3.49Å; I505-V538 VanDerWaalsContact CG2-CG1 3.49Å; I505-I872 HydrophobicContact CD1-CD1 3.84Å
506	L	93.2	Very high	89	Confident	7 Å²	7	44.4 Å²	44.4	4%	0.037	23%	0.225	C	C	.	.	S	Bend	trans	-99.1	-42.3	-177.8	-64	-179	0	0	0	112.5	L500 S517 L519 K535 T539	L500-L506 HydrophobicContact CD2-CD1 4.22Å; L500-L506 HydrophobicContact CD2-CG 4.21Å; L506-S517 VanDerWaalsContact O-CB 3.28Å; L506-S517 WeakPolarHBondContact O-CB 3.26Å; L506-S517 PolarHBondContact O-OG 3.1Å; L506-L519 HydrophobicContact CD2-CD2 3.96Å; L506-K535 HydrophobicContact CD2-CG 4.07Å; L506-T539 HydrophobicContact CD1-CG2 3.84Å; L506-T539 HydrophobicContact CD2-CG2 3.76Å; L506-T539 HydrophobicContact CG-CG2 4.21Å
507	Q	90.1	Very high	89.3	Confident	54 Å²	54	43.3 Å²	43.3	25%	0.252	22%	0.219	S	C	.	.	S	Bend	trans	-139.9	150.2	-176.4	61.3	-170.1	73.4	0	0	109.2	E504 M512 K513	E504-Q507 WeakPolarHBondContact CA-O 3.49Å; Q507-M512 PolarHBondContact NE2-SD 3.5Å; Q507-K513 VanDerWaalsContact CA-O 3.23Å; Q507-K513 WeakPolarHBondContact CA-O 3.32Å; Q507-K513 WeakPolarHBondContact CB-O 3.43Å
508	N	88.8	Confident	89.8	Confident	12 Å²	12	43.3 Å²	43.3	6%	0.064	22%	0.219	C	C	.	.			trans	-73.3	166.7	170.6	73.9	61.8	0	0	0	111	E504 T510 D511 M512 K513 K515	E504-N508 WeakPolarHBondContact OE1-CA 3.41Å; N508-T510 PolarHBondContact OD1-N 2.95Å; N508-T510 PolarHBondContact OD1-OG1 2.95Å; N508-T510 VanDerWaalsContact OD1-OG1 3.07Å; N508-D511 VanDerWaalsContact CG-OD1 3.31Å; N508-D511 PolarHBondContact ND2-OD1 2.68Å; N508-D511 PolarHBondContact OD1-N 3.34Å; N508-D511 PolarHBondContact OD1-OD1 3.14Å; N508-D511 VanDerWaalsContact OD1-OD1 3.08Å; N508-M512 WeakPolarHBondContact O-CA 3.39Å; N508-M512 PolarHBondContact OD1-N 3.24Å; N508-K513 PolarHBondContact N-O 2.89Å; N508-K513 PolarHBondContact ND2-O 3.38Å; N508-K515 PolarHBondContact ND2-O 3.46Å
509	Q	84.3	Confident	90.2	Very high	85 Å²	85	42.8 Å²	42.8	40%	0.397	22%	0.215	S	C	.	.	S	Bend	trans	-90.9	-3.2	177.7	-66.2	-156.3	35	0	0	115.3	R501 E504	R501-Q509 PolarHBondContact O-NE2 3.28Å; E504-Q509 HydrophobicContact CG-CG 4.09Å; E504-Q509 PolarHBondContact OE1-N 2.73Å
510	T	83.3	Confident	90.4	Very high	129 Å²	129	46.4 Å²	46.4	79%	0.791	23%	0.229	S	C	*	.	S	Bend	trans	-95.5	-40.7	-172	62	0	0	0	0	113.8	N508	N508-T510 PolarHBondContact OD1-N 2.95Å; N508-T510 PolarHBondContact OD1-OG1 2.95Å; N508-T510 VanDerWaalsContact OD1-OG1 3.07Å
511	D	83.5	Confident	90.5	Very high	94 Å²	94	46.2 Å²	46.2	50%	0.503	23%	0.228	S	C	.	.	S	Bend	trans	-123.1	-1.1	174.8	72.7	4.3	0	0	0	113.8	N508 K513	N508-D511 VanDerWaalsContact CG-OD1 3.31Å; N508-D511 PolarHBondContact ND2-OD1 2.68Å; N508-D511 PolarHBondContact OD1-N 3.34Å; N508-D511 PolarHBondContact OD1-OD1 3.14Å; N508-D511 VanDerWaalsContact OD1-OD1 3.08Å; D511-K513 HydrophobicContact CB-CG 4.31Å; D511-K513 VanDerWaalsContact CG-CG 3.44Å; D511-K513 PolarHBondContact O-N 2.84Å; D511-K513 WeakPolarHBondContact OD1-CB 3.39Å; D511-K513 VanDerWaalsContact OD1-CG 3.27Å; D511-K513 WeakPolarHBondContact OD1-CG 3.35Å; D511-K513 PolarHBondContact OD1-N 3.21Å
512	M	82.9	Confident	90.9	Very high	84 Å²	84	42.3 Å²	42.3	41%	0.414	21%	0.214	S	C	.	.			trans	61.5	23.2	-177.8	-57.2	-69.5	168	0	0	114.1	Q507 N508	Q507-M512 PolarHBondContact NE2-SD 3.5Å; N508-M512 WeakPolarHBondContact O-CA 3.39Å; N508-M512 PolarHBondContact OD1-N 3.24Å
513	K	86.7	Confident	91.1	Very high	84 Å²	84	43.4 Å²	43.4	37%	0.365	22%	0.219	S	C	.	.			trans	-93.2	159.9	175.7	-59.9	-66.6	-175.7	177.4	0	112.7	D320 Q507 N508 D511 K515	D320-K513 HydrophobicContact CB-CD 4.32Å; D320-K513 VanDerWaalsContact CG-NZ 3.25Å; D320-K513 WeakPolarHBondContact OD1-CD 3.32Å; D320-K513 WeakPolarHBondContact OD1-CE 3.27Å; D320-K513 IonicContact OD1-NZ 3.66Å; D320-K513 PolarHBondContact OD1-NZ 2.88Å; D320-K513 WeakPolarHBondContact OD2-CD 3.29Å; D320-K513 IonicContact OD2-NZ 3.25Å; Q507-K513 VanDerWaalsContact CA-O 3.23Å; Q507-K513 WeakPolarHBondContact CA-O 3.32Å; Q507-K513 WeakPolarHBondContact CB-O 3.43Å; N508-K513 PolarHBondContact N-O 2.89Å; N508-K513 PolarHBondContact ND2-O 3.38Å; D511-K513 HydrophobicContact CB-CG 4.31Å; D511-K513 VanDerWaalsContact CG-CG 3.44Å; D511-K513 PolarHBondContact O-N 2.84Å; D511-K513 WeakPolarHBondContact OD1-CB 3.39Å; D511-K513 VanDerWaalsContact OD1-CG 3.27Å; D511-K513 WeakPolarHBondContact OD1-CG 3.35Å; D511-K513 PolarHBondContact OD1-N 3.21Å; K513-K515 VanDerWaalsContact C-N 3.3Å; K513-K515 PolarHBondContact O-N 3.44Å
514	T	89.5	Confident	91.3	Very high	41 Å²	41	46.1 Å²	46.1	25%	0.252	23%	0.232	S	C	.	.	S	Bend	trans	-65.5	-31.6	174.7	-54.3	0	0	0	0	112.2	D320 G516 S517 L519 W520	D320-T514 PolarHBondContact OD2-N 3.01Å; T514-G516 PolarHBondContact O-N 2.86Å; T514-S517 VanDerWaalsContact O-CB 3.3Å; T514-S517 WeakPolarHBondContact O-CB 3.43Å; T514-S517 PolarHBondContact O-N 2.89Å; T514-S517 VanDerWaalsContact O-N 3.1Å; T514-S517 PolarHBondContact O-OG 3.18Å; T514-L519 HydrophobicContact CG2-CD2 4.32Å; T514-L519 HydrophobicContact CG2-CG 4.45Å; T514-W520 HydrophobicContact CG2-CB 4.4Å; T514-W520 WeakPolarHBondContact O-CB 3.34Å
515	K	90.2	Very high	91.4	Very high	140 Å²	140	45.1 Å²	45.1	61%	0.609	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	131.1	179.8	-173.8	-176.5	176.3	-173.3	0	110.7	N508 K513 W520	N508-K515 PolarHBondContact ND2-O 3.46Å; K513-K515 VanDerWaalsContact C-N 3.3Å; K513-K515 PolarHBondContact O-N 3.44Å; K515-W520 HydrophobicContact CG-CD2 4.38Å
516	G	89.3	Confident	91.3	Very high	18 Å²	18	48.7 Å²	48.7	19%	0.186	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	16.1	-177.5	0	0	0	0	0	114.3	T514 W520	T514-G516 PolarHBondContact O-N 2.86Å; G516-W520 VanDerWaalsContact CA-CE3 3.5Å; G516-W520 VanDerWaalsContact N-CE3 3.28Å
517	S	94.6	Very high	91.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.243	C	C	.	.	S	Bend	trans	-97.1	170.5	166.6	79.1	0	0	0	0	112.1	E504 I505 L506 T514 L519 W520 V521	E504-S517 CarbonylContact O-C 3.52Å; E504-S517 WeakPolarHBondContact O-CA 3.3Å; E504-S517 WeakPolarHBondContact O-CB 3.46Å; I505-S517 PolarHBondContact O-OG 3.36Å; L506-S517 VanDerWaalsContact O-CB 3.28Å; L506-S517 WeakPolarHBondContact O-CB 3.26Å; L506-S517 PolarHBondContact O-OG 3.1Å; T514-S517 VanDerWaalsContact O-CB 3.3Å; T514-S517 WeakPolarHBondContact O-CB 3.43Å; T514-S517 PolarHBondContact O-N 2.89Å; T514-S517 VanDerWaalsContact O-N 3.1Å; T514-S517 PolarHBondContact O-OG 3.18Å; S517-L519 VanDerWaalsContact C-N 3.31Å; S517-L519 PolarHBondContact O-N 3.04Å; S517-L519 PolarHBondContact OG-N 3.22Å; S517-W520 PolarHBondContact O-N 3.07Å; S517-W520 PolarHBondContact OG-N 3.05Å; S517-V521 PolarHBondContact O-N 2.97Å
518	L	95.9	Very high	91.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-59.4	-41.2	170.9	-179	63.4	0	0	0	111.8	E504 I505 W520 V521 L522 V538 P823 L869 I872 M873	E504-L518 PolarHBondContact O-N 3.42Å; I505-L518 PolarHBondContact O-N 2.88Å; L518-W520 VanDerWaalsContact C-N 3.26Å; L518-W520 PolarHBondContact O-N 2.82Å; L518-V521 PolarHBondContact O-N 2.59Å; L518-V521 VanDerWaalsContact O-N 3.1Å; L518-L522 HydrophobicContact CD1-CD1 4.17Å; L518-L522 HydrophobicContact CD1-CG 4.3Å; L518-L522 HydrophobicContact CD2-CD1 4.43Å; L518-L522 HydrophobicContact CG-CD1 3.96Å; L518-L522 HydrophobicContact CG-CG 4.44Å; L518-L522 WeakPolarHBondContact O-CG 3.43Å; L518-L522 PolarHBondContact O-N 3.45Å; L518-L522 VanDerWaalsContact O-N 3.11Å; L518-V538 HydrophobicContact CD2-CG1 4.45Å; L518-P823 HydrophobicContact CD1-CB 4.23Å; L518-P823 HydrophobicContact CD1-CG 4.43Å; L518-L869 HydrophobicContact CB-CD2 4.19Å; L518-L869 HydrophobicContact CD1-CD2 4.36Å; L518-L869 HydrophobicContact CD2-CD2 3.87Å; L518-L869 HydrophobicContact CG-CD2 4.36Å; L518-I872 HydrophobicContact CD2-CG2 3.72Å; L518-M873 HydrophobicContact CD1-CG 3.96Å; L518-M873 HydrophobicContact CD1-SD 3.75Å; L518-M873 HydrophobicContact CD2-CG 4.44Å
519	L	96.4	Very high	91.6	Very high	11 Å²	11	46.2 Å²	46.2	6%	0.058	23%	0.233	C	C	.	.	H	α-helix	trans	-59.8	-37.1	177.6	179.9	60.7	0	0	0	111.8	I505 L506 T514 S517 L522 D523 L534 K535 V538	I505-L519 WeakPolarHBondContact O-CB 3.24Å; I505-L519 PolarHBondContact O-N 3.11Å; L506-L519 HydrophobicContact CD2-CD2 3.96Å; T514-L519 HydrophobicContact CG2-CD2 4.32Å; T514-L519 HydrophobicContact CG2-CG 4.45Å; S517-L519 VanDerWaalsContact C-N 3.31Å; S517-L519 PolarHBondContact O-N 3.04Å; S517-L519 PolarHBondContact OG-N 3.22Å; L519-L522 PolarHBondContact O-N 2.63Å; L519-D523 WeakPolarHBondContact O-CB 3.35Å; L519-D523 PolarHBondContact O-N 2.73Å; L519-L534 HydrophobicContact CD1-CG 4.24Å; L519-K535 HydrophobicContact CD2-CB 4.16Å; L519-K535 HydrophobicContact CD2-CG 4.01Å; L519-V538 HydrophobicContact CB-CG1 4.48Å; L519-V538 HydrophobicContact CD1-CB 4.37Å; L519-V538 HydrophobicContact CD1-CG2 4.06Å
520	W	95.6	Very high	92.1	Very high	77 Å²	77	42.1 Å²	42.1	29%	0.292	21%	0.214	S	C	.	.	H	α-helix	trans	-67.2	-32.9	174.9	167.2	72.5	0	0	0	113.6	T514 K515 G516 S517 L518 L522 V827 L828	T514-W520 HydrophobicContact CG2-CB 4.4Å; T514-W520 WeakPolarHBondContact O-CB 3.34Å; K515-W520 HydrophobicContact CG-CD2 4.38Å; G516-W520 VanDerWaalsContact CA-CE3 3.5Å; G516-W520 VanDerWaalsContact N-CE3 3.28Å; S517-W520 PolarHBondContact O-N 3.07Å; S517-W520 PolarHBondContact OG-N 3.05Å; L518-W520 VanDerWaalsContact C-N 3.26Å; L518-W520 PolarHBondContact O-N 2.82Å; W520-L522 VanDerWaalsContact C-N 3.32Å; W520-V827 HydrophobicContact CH2-CB 4.45Å; W520-V827 HydrophobicContact CH2-CG1 3.65Å; W520-V827 HydrophobicContact CZ2-CG1 4.34Å; W520-V827 HydrophobicContact CZ3-CB 4.45Å; W520-V827 HydrophobicContact CZ3-CG1 4.05Å; W520-L828 HydrophobicContact CH2-CD2 3.85Å; W520-L828 HydrophobicContact CH2-CG 4.26Å; W520-L828 HydrophobicContact CZ3-CD2 4.27Å; W520-L828 HydrophobicContact CZ3-CG 4.27Å
521	V	94.9	Very high	92.6	Very high	5 Å²	5	39.7 Å²	39.7	3%	0.03	19%	0.19	C	C	.	.	H	α-helix	trans	-69.1	-32.1	173.1	173.6	0	0	0	0	111.7	S517 L518 P823 M824 V827	S517-V521 PolarHBondContact O-N 2.97Å; L518-V521 PolarHBondContact O-N 2.59Å; L518-V521 VanDerWaalsContact O-N 3.1Å; V521-P823 HydrophobicContact CG1-CB 4.3Å; V521-M824 HydrophobicContact CG2-CB 4.38Å; V521-M824 HydrophobicContact CG2-CG 3.92Å; V521-V827 HydrophobicContact CG1-CG2 3.97Å; V521-V827 HydrophobicContact CG2-CG2 4.2Å
522	L	96.6	Very high	93.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-90.7	-20.8	-176.2	-61.8	177.2	0	0	0	114.3	L518 L519 W520 H524 L534 V538 S794 L795 V798 M873 I876	L518-L522 HydrophobicContact CD1-CD1 4.17Å; L518-L522 HydrophobicContact CD1-CG 4.3Å; L518-L522 HydrophobicContact CD2-CD1 4.43Å; L518-L522 HydrophobicContact CG-CD1 3.96Å; L518-L522 HydrophobicContact CG-CG 4.44Å; L518-L522 WeakPolarHBondContact O-CG 3.43Å; L518-L522 PolarHBondContact O-N 3.45Å; L518-L522 VanDerWaalsContact O-N 3.11Å; L519-L522 PolarHBondContact O-N 2.63Å; W520-L522 VanDerWaalsContact C-N 3.32Å; L522-H524 PolarHBondContact O-N 2.57Å; L522-L534 HydrophobicContact CB-CD2 4.41Å; L522-L534 WeakPolarHBondContact O-CD2 3.27Å; L522-V538 HydrophobicContact CD1-CG2 3.72Å; L522-S794 PolarHBondContact O-OG 3.1Å; L522-L795 HydrophobicContact CD2-CD2 4.17Å; L522-V798 HydrophobicContact CD2-CG1 4.16Å; L522-V798 HydrophobicContact CD2-CG2 4.06Å; L522-M873 HydrophobicContact CD2-CE 3.94Å; L522-I876 HydrophobicContact CD1-CD1 4.17Å
523	D	96.3	Very high	93.7	Very high	40 Å²	40	33.5 Å²	33.5	21%	0.214	16%	0.156	C	C	.	.			trans	-83.1	97.5	-176	-173.5	24.4	0	0	0	113.8	L519 T525 R531 L534	L519-D523 WeakPolarHBondContact O-CB 3.35Å; L519-D523 PolarHBondContact O-N 2.73Å; D523-T525 WeakPolarHBondContact OD1-CB 3.18Å; D523-T525 WeakPolarHBondContact OD1-CG2 3.37Å; D523-T525 PolarHBondContact OD1-N 3.47Å; D523-T525 PolarHBondContact OD1-OG1 2.91Å; D523-R531 IonicContact OD2-CZ 3.7Å; D523-R531 IonicContact OD2-NE 3.39Å; D523-R531 PolarHBondContact OD2-NE 3.33Å; D523-R531 IonicContact OD2-NH2 2.74Å; D523-L534 HydrophobicContact CB-CD2 4.1Å
524	H	95.7	Very high	94.2	Very high	56 Å²	56	29.5 Å²	29.5	26%	0.259	14%	0.139	S	C	.	.			trans	-119.3	20.9	164.6	-61.8	-41.7	0	0	0	111.4	L522 K526 S794 K797 Q801	L522-H524 PolarHBondContact O-N 2.57Å; H524-K526 PolarHBondContact O-NZ 2.87Å; H524-S794 WeakPolarHBondContact CA-OG 3.48Å; H524-S794 PolarHBondContact N-OG 3.16Å; H524-K797 HydrophobicContact CB-CB 3.85Å; H524-K797 HydrophobicContact CB-CG 4.16Å; H524-Q801 PolarHBondContact NE2-NE2 2.87Å
525	T	95.8	Very high	94.4	Very high	11 Å²	11	27.7 Å²	27.7	7%	0.067	13%	0.127	C	C	.	.			trans	-61.1	152.9	-179	60.6	0	0	0	0	111.9	D523 R531 L534 D790 S794	D523-T525 WeakPolarHBondContact OD1-CB 3.18Å; D523-T525 WeakPolarHBondContact OD1-CG2 3.37Å; D523-T525 PolarHBondContact OD1-N 3.47Å; D523-T525 PolarHBondContact OD1-OG1 2.91Å; T525-R531 WeakPolarHBondContact OG1-CB 3.4Å; T525-R531 PolarHBondContact OG1-N 3.23Å; T525-L534 HydrophobicContact CG2-CB 4.28Å; T525-L534 HydrophobicContact CG2-CD2 3.93Å; T525-D790 WeakPolarHBondContact CB-OD2 3.45Å; T525-S794 PolarHBondContact N-OG 2.99Å
526	K	93.6	Very high	94.6	Very high	75 Å²	75	22.7 Å²	22.7	33%	0.326	11%	0.107	S	C	.	.	S	Bend	trans	-101.5	-14.6	177.8	-53.6	-53.3	173.5	-130.5	0	112.8	H524 E570 L573 R574 D790	H524-K526 PolarHBondContact O-NZ 2.87Å; K526-E570 WeakPolarHBondContact CE-OE1 3.45Å; K526-E570 HydrophobicContact CG-CG 4.34Å; K526-L573 HydrophobicContact CB-CB 4.05Å; K526-R574 HydrophobicContact CB-CG 4.24Å; K526-R574 HydrophobicContact CD-CG 4.03Å; K526-R574 HydrophobicContact CG-CG 3.99Å; K526-D790 VanDerWaalsContact N-CG 3.35Å; K526-D790 PolarHBondContact N-OD1 3.4Å; K526-D790 PolarHBondContact N-OD2 2.93Å
527	T	93.2	Very high	94.9	Very high	5 Å²	5	22.8 Å²	22.8	3%	0.031	10%	0.102	C	C	.	.	S	Bend	trans	-123.9	146.6	-177.2	70.3	0	0	0	0	111.3	F529 G530 R531 L573 L576 D790	T527-F529 VanDerWaalsContact C-N 3.32Å; T527-F529 HydrophobicContact CG2-CE1 4.24Å; T527-F529 HydrophobicContact CG2-CE2 3.82Å; T527-F529 HydrophobicContact CG2-CZ 3.62Å; T527-F529 PolarHBondContact O-N 3.18Å; T527-F529 VanDerWaalsContact OG1-CD2 3.28Å; T527-F529 WeakPolarHBondContact OG1-CD2 3.46Å; T527-F529 VanDerWaalsContact OG1-CE2 3.24Å; T527-F529 WeakPolarHBondContact OG1-CE2 3.36Å; T527-G530 PolarHBondContact O-N 2.88Å; T527-G530 WeakPolarHBondContact OG1-CA 3.39Å; T527-G530 PolarHBondContact OG1-N 3.04Å; T527-R531 PolarHBondContact O-N 2.72Å; T527-L573 HydrophobicContact CG2-CB 4.19Å; T527-L573 HydrophobicContact CG2-CD2 4.2Å; T527-L576 HydrophobicContact CG2-CB 4.39Å; T527-L576 HydrophobicContact CG2-CD1 4.42Å; T527-D790 WeakPolarHBondContact CA-OD2 3.48Å; T527-D790 WeakPolarHBondContact CB-OD2 3.28Å; T527-D790 PolarHBondContact N-OD2 2.87Å; T527-D790 PolarHBondContact OG1-OD2 3.41Å
528	S	91.3	Very high	95	Very high	12 Å²	12	22.8 Å²	22.8	8%	0.084	10%	0.102	C	C	.	.	H	α-helix	trans	-66.8	-32.6	178.6	56	0	0	0	0	112.9	R531 R532 D578	S528-R531 PolarHBondContact O-N 2.77Å; S528-R532 WeakPolarHBondContact O-CG 3.42Å; S528-R532 PolarHBondContact O-N 3.22Å; S528-D578 WeakPolarHBondContact CB-OD2 3.47Å; S528-D578 WeakPolarHBondContact OG-CB 3.28Å; S528-D578 PolarHBondContact OG-OD2 3.45Å
529	F	93.5	Very high	94.9	Very high	3 Å²	3	23.5 Å²	23.5	1%	0.013	11%	0.106	C	C	.	.	H	α-helix	trans	-71.1	-35.3	172	48.8	-99	0	0	0	112.2	T527 R532 K533 L576 V579 E580 V783 L786 A787	T527-F529 VanDerWaalsContact C-N 3.32Å; T527-F529 HydrophobicContact CG2-CE1 4.24Å; T527-F529 HydrophobicContact CG2-CE2 3.82Å; T527-F529 HydrophobicContact CG2-CZ 3.62Å; T527-F529 PolarHBondContact O-N 3.18Å; T527-F529 VanDerWaalsContact OG1-CD2 3.28Å; T527-F529 WeakPolarHBondContact OG1-CD2 3.46Å; T527-F529 VanDerWaalsContact OG1-CE2 3.24Å; T527-F529 WeakPolarHBondContact OG1-CE2 3.36Å; F529-R532 PolarHBondContact O-N 3.08Å; F529-K533 WeakPolarHBondContact O-CB 3.31Å; F529-K533 PolarHBondContact O-N 3.39Å; F529-L576 HydrophobicContact CZ-CD1 4.07Å; F529-V579 HydrophobicContact CE1-CB 4.21Å; F529-V579 HydrophobicContact CE1-CG2 4.44Å; F529-E580 HydrophobicContact CB-CB 4.21Å; F529-E580 WeakPolarHBondContact CB-OE2 3.2Å; F529-V783 HydrophobicContact CB-CG1 4.25Å; F529-V783 HydrophobicContact CD1-CG1 4.16Å; F529-V783 HydrophobicContact CD2-CG1 3.97Å; F529-V783 HydrophobicContact CE1-CG1 4.5Å; F529-V783 HydrophobicContact CE2-CG1 4.31Å; F529-V783 HydrophobicContact CG-CG1 3.88Å; F529-L786 HydrophobicContact CE2-CB 3.9Å; F529-A787 HydrophobicContact CD2-CB 3.89Å
530	G	95.4	Very high	94.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-56.5	-51.2	166.3	0	0	0	0	0	111.9	T527 R532 K533 L534 C791	T527-G530 PolarHBondContact O-N 2.88Å; T527-G530 WeakPolarHBondContact OG1-CA 3.39Å; T527-G530 PolarHBondContact OG1-N 3.04Å; G530-R532 VanDerWaalsContact C-N 3.34Å; G530-R532 PolarHBondContact O-N 3.08Å; G530-K533 PolarHBondContact O-N 2.85Å; G530-K533 VanDerWaalsContact O-N 3.15Å; G530-L534 WeakPolarHBondContact O-CB 3.37Å; G530-L534 PolarHBondContact O-N 3.32Å; G530-C791 PolarHBondContact O-SG 2.82Å; G530-C791 VanDerWaalsContact O-SG 3.41Å
531	R	94.4	Very high	94.8	Very high	78 Å²	78	21.4 Å²	21.4	29%	0.294	10%	0.1	S	C	.	.	H	α-helix	trans	-55.7	-44.3	175.6	-175.8	177.3	-67.8	122.8	17.1	112.8	D523 T525 T527 S528 L534 K535	D523-R531 IonicContact OD2-CZ 3.7Å; D523-R531 IonicContact OD2-NE 3.39Å; D523-R531 PolarHBondContact OD2-NE 3.33Å; D523-R531 IonicContact OD2-NH2 2.74Å; T525-R531 WeakPolarHBondContact OG1-CB 3.4Å; T525-R531 PolarHBondContact OG1-N 3.23Å; T527-R531 PolarHBondContact O-N 2.72Å; S528-R531 PolarHBondContact O-N 2.77Å; R531-L534 PolarHBondContact O-N 3.23Å; R531-K535 PolarHBondContact O-N 2.97Å
532	R	93.6	Very high	94.8	Very high	19 Å²	19	21.7 Å²	21.7	7%	0.072	10%	0.101	C	C	.	.	H	α-helix	trans	-62.3	-43.7	176.3	-73.5	-175	-68.6	-97.2	8.6	111.7	T323 S528 F529 G530 K535 N536 D578 E580	T323-R532 HydrophobicContact CG2-CG 4.18Å; S528-R532 WeakPolarHBondContact O-CG 3.42Å; S528-R532 PolarHBondContact O-N 3.22Å; F529-R532 PolarHBondContact O-N 3.08Å; G530-R532 VanDerWaalsContact C-N 3.34Å; G530-R532 PolarHBondContact O-N 3.08Å; R532-K535 WeakPolarHBondContact O-CB 3.41Å; R532-K535 PolarHBondContact O-N 2.86Å; R532-N536 PolarHBondContact O-N 3.41Å; R532-N536 VanDerWaalsContact O-N 3.15Å; R532-D578 IonicContact CZ-OD1 3.96Å; R532-D578 IonicContact CZ-OD2 3.9Å; R532-D578 IonicContact NH1-OD1 3.07Å; R532-D578 IonicContact NH1-OD2 2.73Å; R532-D578 PolarHBondContact NH1-OD2 2.93Å; R532-D578 VanDerWaalsContact NH2-CG 3.3Å; R532-D578 IonicContact NH2-OD1 3.56Å; R532-D578 PolarHBondContact NH2-OD1 3.32Å; R532-D578 IonicContact NH2-OD2 2.71Å; R532-D578 PolarHBondContact NH2-OD2 3.22Å; R532-E580 IonicContact CZ-OE2 2.68Å; R532-E580 IonicContact NE-OE2 2.73Å; R532-E580 PolarHBondContact NE-OE2 3.45Å; R532-E580 IonicContact NH2-OE2 3.51Å; R532-E580 PolarHBondContact NH2-OE2 3.23Å
533	K	95.4	Very high	94.8	Very high	29 Å²	29	23.1 Å²	23.1	13%	0.126	11%	0.108	C	C	.	.	H	α-helix	trans	-68.7	-36.6	177.6	-169.7	163.2	-173.8	162.3	0	112.9	F529 G530 N536 W537 D784 A787 T788	F529-K533 WeakPolarHBondContact O-CB 3.31Å; F529-K533 PolarHBondContact O-N 3.39Å; G530-K533 PolarHBondContact O-N 2.85Å; G530-K533 VanDerWaalsContact O-N 3.15Å; K533-N536 WeakPolarHBondContact O-CB 3.42Å; K533-N536 PolarHBondContact O-N 3.24Å; K533-W537 PolarHBondContact O-N 3.05Å; K533-D784 PolarHBondContact NZ-O 3.29Å; K533-D784 IonicContact NZ-OD1 3.23Å; K533-D784 PolarHBondContact NZ-OD1 2.91Å; K533-D784 IonicContact NZ-OD2 3.38Å; K533-D784 PolarHBondContact NZ-OD2 3.01Å; K533-A787 HydrophobicContact CB-CB 4Å; K533-A787 HydrophobicContact CD-CB 3.5Å; K533-A787 VanDerWaalsContact CD-CB 3.5Å; K533-A787 HydrophobicContact CG-CB 4.39Å; K533-T788 VanDerWaalsContact CE-OG1 3.28Å; K533-T788 WeakPolarHBondContact CE-OG1 3.39Å; K533-T788 PolarHBondContact NZ-OG1 3.02Å
534	L	96.7	Very high	94.7	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-65.4	-42.6	174.2	-176.8	62.8	0	0	0	111.6	L519 L522 D523 T525 G530 R531 N536 W537 V538 C791 L795	L519-L534 HydrophobicContact CD1-CG 4.24Å; L522-L534 HydrophobicContact CB-CD2 4.41Å; L522-L534 WeakPolarHBondContact O-CD2 3.27Å; D523-L534 HydrophobicContact CB-CD2 4.1Å; T525-L534 HydrophobicContact CG2-CB 4.28Å; T525-L534 HydrophobicContact CG2-CD2 3.93Å; G530-L534 WeakPolarHBondContact O-CB 3.37Å; G530-L534 PolarHBondContact O-N 3.32Å; R531-L534 PolarHBondContact O-N 3.23Å; L534-N536 VanDerWaalsContact C-N 3.26Å; L534-N536 PolarHBondContact O-N 3.25Å; L534-W537 PolarHBondContact O-N 2.87Å; L534-W537 VanDerWaalsContact O-N 3.1Å; L534-V538 HydrophobicContact CD1-CG2 4.32Å; L534-V538 HydrophobicContact CG-CG2 4.45Å; L534-V538 WeakPolarHBondContact O-CG2 3.35Å; L534-V538 PolarHBondContact O-N 3.36Å; L534-C791 PolarHBondContact N-SG 3.25Å; L534-L795 HydrophobicContact CD1-CD2 4.27Å
535	K	95.1	Very high	94.7	Very high	3 Å²	3	25.8 Å²	25.8	1%	0.013	12%	0.119	C	C	.	.	H	α-helix	trans	-51.4	-50	169.9	-174.4	-161.6	-176.9	-172	0	110.2	T323 L379 L506 L519 R531 R532 W537 V538 T539	T323-K535 HydrophobicContact CG2-CD 4.11Å; T323-K535 PolarHBondContact OG1-NZ 3.46Å; L379-K535 PolarHBondContact O-NZ 2.99Å; L506-K535 HydrophobicContact CD2-CG 4.07Å; L519-K535 HydrophobicContact CD2-CB 4.16Å; L519-K535 HydrophobicContact CD2-CG 4.01Å; R531-K535 PolarHBondContact O-N 2.97Å; R532-K535 WeakPolarHBondContact O-CB 3.41Å; R532-K535 PolarHBondContact O-N 2.86Å; K535-W537 VanDerWaalsContact C-N 3.33Å; K535-W537 PolarHBondContact O-N 3.39Å; K535-V538 PolarHBondContact O-N 2.89Å; K535-V538 VanDerWaalsContact O-N 3.17Å; K535-T539 PolarHBondContact O-N 2.89Å; K535-T539 PolarHBondContact O-OG1 3.02Å
536	N	93.1	Very high	94.7	Very high	35 Å²	35	36.2 Å²	36.2	19%	0.187	16%	0.157	C	C	.	.	H	α-helix	trans	-64	-33	179.9	-69.7	-0.7	0	0	0	112.9	R532 K533 L534 T539 Q540	R532-N536 PolarHBondContact O-N 3.41Å; R532-N536 VanDerWaalsContact O-N 3.15Å; K533-N536 WeakPolarHBondContact O-CB 3.42Å; K533-N536 PolarHBondContact O-N 3.24Å; L534-N536 VanDerWaalsContact C-N 3.26Å; L534-N536 PolarHBondContact O-N 3.25Å; N536-T539 WeakPolarHBondContact CA-OG1 3.47Å; N536-T539 PolarHBondContact O-OG1 2.78Å; N536-T539 VanDerWaalsContact O-OG1 3.13Å; N536-Q540 VanDerWaalsContact O-CG 3.25Å; N536-Q540 WeakPolarHBondContact O-CG 3.18Å; N536-Q540 PolarHBondContact O-N 2.7Å; N536-Q540 PolarHBondContact O-NE2 2.86Å
537	W	95.9	Very high	94.8	Very high	19 Å²	19	36 Å²	36	7%	0.072	16%	0.157	C	C	.	.	H	α-helix	trans	-70	-38.2	172.9	-72.7	9.5	0	0	0	112.2	K533 L534 K535 Q540 R551 T788 C791 I792 L795	K533-W537 PolarHBondContact O-N 3.05Å; L534-W537 PolarHBondContact O-N 2.87Å; L534-W537 VanDerWaalsContact O-N 3.1Å; K535-W537 VanDerWaalsContact C-N 3.33Å; K535-W537 PolarHBondContact O-N 3.39Å; W537-Q540 CarbonylContact O-C 3.57Å; W537-Q540 PolarHBondContact O-N 3.34Å; W537-R551 VanDerWaalsContact CD2-NH1 3.27Å; W537-T788 HydrophobicContact CH2-CG2 4.06Å; W537-T788 HydrophobicContact CZ2-CG2 4Å; W537-C791 HydrophobicContact CD2-CB 4.42Å; W537-C791 HydrophobicContact CE3-CB 3.92Å; W537-C791 HydrophobicContact CH2-CB 3.66Å; W537-C791 HydrophobicContact CZ2-CB 4.18Å; W537-C791 HydrophobicContact CZ3-CB 3.51Å; W537-I792 HydrophobicContact CH2-CD1 3.93Å; W537-I792 HydrophobicContact CH2-CG1 4.3Å; W537-I792 HydrophobicContact CZ3-CD1 4.04Å; W537-L795 HydrophobicContact CE3-CD1 4.33Å; W537-L795 HydrophobicContact CZ3-CD1 4.14Å
538	V	96.2	Very high	94.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-72.3	-33	-179.6	173.1	0	0	0	0	112.1	I505 L518 L519 L522 L534 K535 I876	I505-V538 HydrophobicContact CG2-CG1 3.49Å; I505-V538 VanDerWaalsContact CG2-CG1 3.49Å; L518-V538 HydrophobicContact CD2-CG1 4.45Å; L519-V538 HydrophobicContact CB-CG1 4.48Å; L519-V538 HydrophobicContact CD1-CB 4.37Å; L519-V538 HydrophobicContact CD1-CG2 4.06Å; L522-V538 HydrophobicContact CD1-CG2 3.72Å; L534-V538 HydrophobicContact CD1-CG2 4.32Å; L534-V538 HydrophobicContact CG-CG2 4.45Å; L534-V538 WeakPolarHBondContact O-CG2 3.35Å; L534-V538 PolarHBondContact O-N 3.36Å; K535-V538 PolarHBondContact O-N 2.89Å; K535-V538 VanDerWaalsContact O-N 3.17Å; V538-I876 HydrophobicContact CB-CD1 4.4Å; V538-I876 HydrophobicContact CG2-CD1 4.05Å
539	T	93.3	Very high	95.2	Very high	15 Å²	15	37.1 Å²	37.1	9%	0.092	16%	0.162	C	C	.	.	H	α-helix	trans	-74.3	-24.7	174.8	51	0	0	0	0	114.2	L506 K535 N536	L506-T539 HydrophobicContact CD1-CG2 3.84Å; L506-T539 HydrophobicContact CD2-CG2 3.76Å; L506-T539 HydrophobicContact CG-CG2 4.21Å; K535-T539 PolarHBondContact O-N 2.89Å; K535-T539 PolarHBondContact O-OG1 3.02Å; N536-T539 WeakPolarHBondContact CA-OG1 3.47Å; N536-T539 PolarHBondContact O-OG1 2.78Å; N536-T539 VanDerWaalsContact O-OG1 3.13Å
540	Q	93.5	Very high	95.4	Very high	45 Å²	45	38.4 Å²	38.4	21%	0.21	17%	0.174	C	C	.	.	S	Bend	trans	-135.8	75.1	-177.5	81.1	-148.9	-47.7	0	0	111.8	F492 N536 W537	F492-Q540 HydrophobicContact CB-CB 3.89Å; F492-Q540 HydrophobicContact CB-CG 4.43Å; F492-Q540 HydrophobicContact CD1-CB 4.07Å; F492-Q540 HydrophobicContact CD1-CG 3.68Å; F492-Q540 HydrophobicContact CD2-CB 4.2Å; F492-Q540 HydrophobicContact CD2-CG 4.05Å; F492-Q540 HydrophobicContact CE1-CG 3.88Å; F492-Q540 HydrophobicContact CE2-CG 4.24Å; F492-Q540 HydrophobicContact CG-CB 3.79Å; F492-Q540 HydrophobicContact CG-CG 3.79Å; F492-Q540 HydrophobicContact CZ-CG 4.16Å; N536-Q540 VanDerWaalsContact O-CG 3.25Å; N536-Q540 WeakPolarHBondContact O-CG 3.18Å; N536-Q540 PolarHBondContact O-N 2.7Å; N536-Q540 PolarHBondContact O-NE2 2.86Å; W537-Q540 CarbonylContact O-C 3.57Å; W537-Q540 PolarHBondContact O-N 3.34Å
541	P	96.4	Very high	95.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.176	C	C	.	.			trans	-57	152.3	172.3	-23.1	34.8	0	0	0	111.3	F492 M493 I495 I872 Q875 I876	F492-P541 CarbonylContact C-O 3.57Å; F492-P541 VanDerWaalsContact CA-O 3.27Å; F492-P541 WeakPolarHBondContact CA-O 3.27Å; M493-P541 HydrophobicContact CB-CB 4.1Å; M493-P541 HydrophobicContact CE-CB 4.2Å; M493-P541 PolarHBondContact N-O 2.92Å; M493-P541 HydrophobicContact SD-CB 4.26Å; M493-P541 HydrophobicContact SD-CG 4.18Å; I495-P541 HydrophobicContact CD1-CG 3.89Å; P541-I872 HydrophobicContact CG-CG2 3.96Å; P541-Q875 HydrophobicContact CB-CB 3.9Å; P541-I876 HydrophobicContact CB-CG1 4.16Å; P541-I876 HydrophobicContact CG-CG1 4.08Å
542	L	96.4	Very high	95.6	Very high	11 Å²	11	35.4 Å²	35.4	6%	0.058	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-86	155.3	-168.7	-60	162	0	0	0	113.1	F492 E547 I548 Q875	F492-L542 HydrophobicContact CD1-CD2 4.2Å; F492-L542 HydrophobicContact CE1-CD2 4.02Å; L542-E547 HydrophobicContact CD1-CB 4.1Å; L542-E547 HydrophobicContact CD1-CG 3.39Å; L542-E547 HydrophobicContact CD2-CG 4.1Å; L542-E547 HydrophobicContact CG-CG 4.36Å; L542-I548 HydrophobicContact CB-CD1 4.1Å; L542-I548 HydrophobicContact CB-CG1 3.65Å; L542-I548 HydrophobicContact CD1-CG1 3.86Å; L542-I548 HydrophobicContact CG-CG1 4.44Å; L542-Q875 WeakPolarHBondContact CB-O 3.44Å; L542-Q875 PolarHBondContact N-O 3.33Å; L542-Q875 PolarHBondContact O-NE2 3.39Å
543	L	95.4	Very high	95.8	Very high	29 Å²	29	38 Å²	38	15%	0.152	18%	0.177	C	C	.	.			trans	-103.6	-17.1	165.7	-56.2	-177.6	0	0	0	112.9	E491 M493 L545 I889 V890	E491-L543 PolarHBondContact O-N 3.41Å; M493-L543 HydrophobicContact CB-CD2 4.24Å; L543-L545 PolarHBondContact O-N 3.45Å; L543-I889 HydrophobicContact CB-CG2 4.35Å; L543-I889 HydrophobicContact CD2-CG2 4.02Å; L543-V890 VanDerWaalsContact CD2-O 3.27Å; L543-V890 WeakPolarHBondContact CD2-O 3.31Å
544	K	95.2	Very high	95.8	Very high	101 Å²	101	36.6 Å²	36.6	44%	0.439	17%	0.171	S	C	.	.			trans	-83.5	100.8	-174.3	-72.3	174.2	171.1	172.7	0	111.6	E491 R546 E547 I548	E491-K544 IonicContact OE1-NZ 3.73Å; E491-K544 PolarHBondContact OE1-NZ 3.25Å; K544-R546 PolarHBondContact O-N 2.93Å; K544-E547 HydrophobicContact CB-CB 4.26Å; K544-E547 PolarHBondContact O-N 3.17Å; K544-I548 PolarHBondContact O-N 3.46Å
545	L	95.4	Very high	95.8	Very high	52 Å²	52	36.6 Å²	36.6	27%	0.272	17%	0.171	S	C	.	.	H	α-helix	trans	-44.9	-39.1	-179.8	-173.8	60.7	0	0	0	114.7	L543 N549 L809 I889	L543-L545 PolarHBondContact O-N 3.45Å; L545-N549 WeakPolarHBondContact CD1-ND2 3.45Å; L545-N549 PolarHBondContact O-N 3.06Å; L545-N549 VanDerWaalsContact O-N 3.11Å; L545-N549 PolarHBondContact O-ND2 3.13Å; L545-L809 HydrophobicContact CD1-CB 3.59Å; L545-I889 HydrophobicContact CB-CD1 3.68Å; L545-I889 HydrophobicContact CD1-CD1 3.88Å; L545-I889 HydrophobicContact CG-CD1 4.29Å
546	R	95.3	Very high	95.9	Very high	229 Å²	229	37.2 Å²	37.2	86%	0.864	18%	0.176	S	C	*	.	H	α-helix	trans	-65.7	-43.9	179.5	-64.1	-175.2	-177	-177.9	0.7	113	K544 A550	K544-R546 PolarHBondContact O-N 2.93Å; R546-A550 WeakPolarHBondContact O-CB 3.26Å; R546-A550 PolarHBondContact O-N 3.47Å
547	E	95.4	Very high	96	Very high	70 Å²	70	36.6 Å²	36.6	33%	0.327	17%	0.173	S	C	.	.	H	α-helix	trans	-71.1	-38.3	180	174.9	69	-166.1	0	0	110.7	L542 K544 A550 R551	L542-E547 HydrophobicContact CD1-CB 4.1Å; L542-E547 HydrophobicContact CD1-CG 3.39Å; L542-E547 HydrophobicContact CD2-CG 4.1Å; L542-E547 HydrophobicContact CG-CG 4.36Å; K544-E547 HydrophobicContact CB-CB 4.26Å; K544-E547 PolarHBondContact O-N 3.17Å; E547-A550 PolarHBondContact O-N 3.18Å; E547-R551 WeakPolarHBondContact O-CG 3.49Å; E547-R551 PolarHBondContact O-N 3.03Å; E547-R551 VanDerWaalsContact O-N 3.1Å; E547-R551 IonicContact OE1-CZ 2.61Å; E547-R551 IonicContact OE1-NE 4Å; E547-R551 PolarHBondContact OE1-NE 2.9Å; E547-R551 IonicContact OE1-NH2 2.71Å; E547-R551 PolarHBondContact OE1-NH2 3.39Å; E547-R551 VanDerWaalsContact OE1-NH2 3.12Å
548	I	96.7	Very high	95.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61	-47.2	175.7	-57.7	163.6	0	0	0	110.4	L542 K544 R551 L552 L809 A874 Q875 I889	L542-I548 HydrophobicContact CB-CD1 4.1Å; L542-I548 HydrophobicContact CB-CG1 3.65Å; L542-I548 HydrophobicContact CD1-CG1 3.86Å; L542-I548 HydrophobicContact CG-CG1 4.44Å; K544-I548 PolarHBondContact O-N 3.46Å; I548-R551 PolarHBondContact O-N 3.23Å; I548-L552 HydrophobicContact CG2-CD1 4.14Å; I548-L552 WeakPolarHBondContact O-CG 3.38Å; I548-L552 PolarHBondContact O-N 3.21Å; I548-L809 HydrophobicContact CG2-CD1 4.26Å; I548-L809 HydrophobicContact CG2-CD2 4.39Å; I548-L809 HydrophobicContact CG2-CG 3.82Å; I548-A874 VanDerWaalsContact CG2-O 3.24Å; I548-A874 WeakPolarHBondContact CG2-O 3.39Å; I548-Q875 HydrophobicContact CD1-CG 4.19Å; I548-I889 HydrophobicContact CD1-CD1 4.48Å; I548-I889 HydrophobicContact CD1-CG1 4.31Å
549	N	96.9	Very high	95.8	Very high	41 Å²	41	38.4 Å²	38.4	22%	0.219	19%	0.185	C	C	.	.	H	α-helix	trans	-66.1	-43.4	176.6	-78.5	-79.1	0	0	0	112	L545 R551 L552 D553 R806	L545-N549 WeakPolarHBondContact CD1-ND2 3.45Å; L545-N549 PolarHBondContact O-N 3.06Å; L545-N549 VanDerWaalsContact O-N 3.11Å; L545-N549 PolarHBondContact O-ND2 3.13Å; N549-R551 PolarHBondContact O-N 2.65Å; N549-R551 VanDerWaalsContact O-N 3.13Å; N549-L552 CarbonylContact O-C 3.59Å; N549-L552 PolarHBondContact O-N 3.4Å; N549-D553 WeakPolarHBondContact O-CB 3.45Å; N549-D553 PolarHBondContact O-N 3.45Å; N549-D553 VanDerWaalsContact O-OD2 3.12Å; N549-R806 PolarHBondContact OD1-NH2 3.12Å
550	A	96.9	Very high	95.6	Very high	30 Å²	30	44.4 Å²	44.4	25%	0.248	21%	0.211	C	C	.	.	H	α-helix	trans	-55.2	-35.1	176.8	0	0	0	0	0	113.1	R546 E547 A554 L625	R546-A550 WeakPolarHBondContact O-CB 3.26Å; R546-A550 PolarHBondContact O-N 3.47Å; E547-A550 PolarHBondContact O-N 3.18Å; A550-A554 VanDerWaalsContact O-CB 3.27Å; A550-A554 WeakPolarHBondContact O-CB 3.3Å; A550-A554 PolarHBondContact O-N 3.36Å; A550-L625 HydrophobicContact CB-CD2 4.4Å
551	R	97.4	Very high	95.4	Very high	16 Å²	16	43.9 Å²	43.9	6%	0.06	21%	0.213	C	C	.	.	H	α-helix	trans	-72.7	-45.9	172	-67.8	175.7	-175	-161.3	-1.3	113	W537 E547 I548 N549 D553 A554 V555 L625 I792 I876	W537-R551 VanDerWaalsContact CD2-NH1 3.27Å; E547-R551 WeakPolarHBondContact O-CG 3.49Å; E547-R551 PolarHBondContact O-N 3.03Å; E547-R551 VanDerWaalsContact O-N 3.1Å; E547-R551 IonicContact OE1-CZ 2.61Å; E547-R551 IonicContact OE1-NE 4Å; E547-R551 PolarHBondContact OE1-NE 2.9Å; E547-R551 IonicContact OE1-NH2 2.71Å; E547-R551 PolarHBondContact OE1-NH2 3.39Å; E547-R551 VanDerWaalsContact OE1-NH2 3.12Å; I548-R551 PolarHBondContact O-N 3.23Å; N549-R551 PolarHBondContact O-N 2.65Å; N549-R551 VanDerWaalsContact O-N 3.13Å; R551-D553 PolarHBondContact O-N 3.32Å; R551-A554 WeakPolarHBondContact O-CB 3.37Å; R551-A554 PolarHBondContact O-N 3Å; R551-V555 WeakPolarHBondContact O-CG2 3.38Å; R551-V555 PolarHBondContact O-N 2.97Å; R551-L625 HydrophobicContact CG-CD2 4.24Å; R551-I792 HydrophobicContact CB-CD1 4.23Å; R551-I792 HydrophobicContact CG-CD1 4.27Å; R551-I876 VanDerWaalsContact CD-O 3.26Å; R551-I876 WeakPolarHBondContact CD-O 3.32Å; R551-I876 PolarHBondContact NH1-O 2.69Å; R551-I876 VanDerWaalsContact NH1-O 3.08Å
552	L	97.1	Very high	94.9	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-59.8	-37.4	176	-71.8	170.4	0	0	0	111.8	I548 N549 S556 R806 P807 L809 S878 Y879	I548-L552 HydrophobicContact CG2-CD1 4.14Å; I548-L552 WeakPolarHBondContact O-CG 3.38Å; I548-L552 PolarHBondContact O-N 3.21Å; N549-L552 CarbonylContact O-C 3.59Å; N549-L552 PolarHBondContact O-N 3.4Å; L552-S556 WeakPolarHBondContact O-CB 3.27Å; L552-S556 PolarHBondContact O-N 2.98Å; L552-S556 PolarHBondContact O-OG 3.21Å; L552-R806 HydrophobicContact CD2-CG 4.46Å; L552-P807 HydrophobicContact CD1-CG 4.18Å; L552-P807 HydrophobicContact CD2-CG 4.01Å; L552-L809 HydrophobicContact CD1-CD2 3.84Å; L552-S878 WeakPolarHBondContact CD2-O 3.49Å; L552-Y879 HydrophobicContact CD2-CD1 4.3Å
553	D	97	Very high	94.3	Very high	72 Å²	72	53.5 Å²	53.5	39%	0.385	26%	0.26	S	S	.	.	H	α-helix	trans	-73	-39.7	178	-62.1	-26.7	0	0	0	111.1	N549 R551 S556 D557 R806	N549-D553 WeakPolarHBondContact O-CB 3.45Å; N549-D553 PolarHBondContact O-N 3.45Å; N549-D553 VanDerWaalsContact O-OD2 3.12Å; R551-D553 PolarHBondContact O-N 3.32Å; D553-S556 WeakPolarHBondContact O-CB 3.45Å; D553-S556 PolarHBondContact O-N 3.39Å; D553-D557 WeakPolarHBondContact O-CB 3.4Å; D553-D557 PolarHBondContact O-N 2.91Å; D553-R806 IonicContact OD1-CZ 2.81Å; D553-R806 IonicContact OD1-NE 3.8Å; D553-R806 IonicContact OD1-NH2 3.79Å; D553-R806 PolarHBondContact OD1-NH2 2.88Å
554	A	96.6	Very high	94.1	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.1	-42.8	170.5	0	0	0	0	0	112.8	A550 R551 V558 S623 L625 L626 I792	A550-A554 VanDerWaalsContact O-CB 3.27Å; A550-A554 WeakPolarHBondContact O-CB 3.3Å; A550-A554 PolarHBondContact O-N 3.36Å; R551-A554 WeakPolarHBondContact O-CB 3.37Å; R551-A554 PolarHBondContact O-N 3Å; A554-V558 WeakPolarHBondContact O-CG2 3.4Å; A554-V558 PolarHBondContact O-N 3.01Å; A554-S623 WeakPolarHBondContact CA-OG 3.36Å; A554-S623 WeakPolarHBondContact CB-OG 3.42Å; A554-L625 HydrophobicContact CB-CD2 4.32Å; A554-L626 HydrophobicContact CB-CD1 3.85Å; A554-L626 HydrophobicContact CB-CD2 4.49Å; A554-L626 HydrophobicContact CB-CG 3.82Å; A554-I792 HydrophobicContact CB-CD1 4.03Å; A554-I792 HydrophobicContact CB-CG1 4.23Å; A554-I792 HydrophobicContact CB-CG2 3.89Å
555	V	97.1	Very high	94	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-64.5	-41.2	173.1	169.9	0	0	0	0	110.7	R551 V558 L559 I792 L795 A796 A799 Y879	R551-V555 WeakPolarHBondContact O-CG2 3.38Å; R551-V555 PolarHBondContact O-N 2.97Å; V555-V558 PolarHBondContact O-N 3.19Å; V555-L559 HydrophobicContact CG1-CD1 3.88Å; V555-L559 HydrophobicContact CG1-CG 4.45Å; V555-L559 VanDerWaalsContact O-CG 3.25Å; V555-L559 WeakPolarHBondContact O-CG 3.23Å; V555-L559 PolarHBondContact O-N 3Å; V555-L559 VanDerWaalsContact O-N 3.08Å; V555-I792 HydrophobicContact CG2-CD1 4.3Å; V555-I792 HydrophobicContact CG2-CG2 4.05Å; V555-L795 HydrophobicContact CG2-CB 3.77Å; V555-L795 HydrophobicContact CG2-CD1 4.49Å; V555-A796 HydrophobicContact CG1-CB 4.27Å; V555-A799 HydrophobicContact CG1-CB 4.09Å; V555-Y879 HydrophobicContact CG1-CD1 3.81Å; V555-Y879 HydrophobicContact CG1-CE1 3.8Å
556	S	95.9	Very high	93.8	Very high	17 Å²	17	48.7 Å²	48.7	12%	0.119	24%	0.244	C	C	.	.	H	α-helix	trans	-63	-42.9	177.6	-57.6	0	0	0	0	112.2	L552 D553 L559 H560 Y879	L552-S556 WeakPolarHBondContact O-CB 3.27Å; L552-S556 PolarHBondContact O-N 2.98Å; L552-S556 PolarHBondContact O-OG 3.21Å; D553-S556 WeakPolarHBondContact O-CB 3.45Å; D553-S556 PolarHBondContact O-N 3.39Å; S556-L559 PolarHBondContact O-N 3.03Å; S556-H560 PolarHBondContact O-N 3.45Å; S556-H560 VanDerWaalsContact O-N 3.08Å; S556-H560 PolarHBondContact O-ND1 2.73Å; S556-Y879 PolarHBondContact OG-OH 3.35Å
557	D	94.9	Very high	93.5	Very high	22 Å²	22	43.9 Å²	43.9	12%	0.118	23%	0.232	C	C	.	.	H	α-helix	trans	-60.2	-47.6	177.7	-163.3	12	0	0	0	110.8	D553 L559 S561 Q622 S623	D553-D557 WeakPolarHBondContact O-CB 3.4Å; D553-D557 PolarHBondContact O-N 2.91Å; D557-L559 VanDerWaalsContact C-N 3.29Å; D557-L559 PolarHBondContact O-N 3Å; D557-S561 WeakPolarHBondContact O-CB 3.48Å; D557-S561 PolarHBondContact O-N 2.79Å; D557-S561 VanDerWaalsContact O-N 3.11Å; D557-Q622 PolarHBondContact OD2-N 2.92Å; D557-S623 WeakPolarHBondContact OD2-CB 3.36Å; D557-S623 PolarHBondContact OD2-N 2.85Å
558	V	95.2	Very high	93.4	Very high	21 Å²	21	44.8 Å²	44.8	13%	0.127	24%	0.236	C	C	.	.	H	α-helix	trans	-64.7	-28.4	176.7	176.9	0	0	0	0	113.1	A554 V555 F566 L626 I792 F793 A796	A554-V558 WeakPolarHBondContact O-CG2 3.4Å; A554-V558 PolarHBondContact O-N 3.01Å; V555-V558 PolarHBondContact O-N 3.19Å; V558-F566 HydrophobicContact CG2-CD1 3.8Å; V558-F566 HydrophobicContact CG2-CE1 3.66Å; V558-F566 HydrophobicContact CG2-CZ 4.28Å; V558-L626 HydrophobicContact CG2-CD1 3.8Å; V558-I792 HydrophobicContact CG2-CG2 4.17Å; V558-F793 HydrophobicContact CG1-CD1 3.96Å; V558-F793 HydrophobicContact CG1-CE1 3.99Å; V558-A796 HydrophobicContact CB-CB 3.98Å; V558-A796 HydrophobicContact CG1-CB 3.57Å
559	L	92.8	Very high	93.1	Very high	36 Å²	36	45 Å²	45	19%	0.188	24%	0.237	C	C	.	.	H	α-helix	trans	-78.2	-43.8	179.1	-76.4	167.5	0	0	0	113.6	V555 S556 D557 A796 A799 K800 Y879	V555-L559 HydrophobicContact CG1-CD1 3.88Å; V555-L559 HydrophobicContact CG1-CG 4.45Å; V555-L559 VanDerWaalsContact O-CG 3.25Å; V555-L559 WeakPolarHBondContact O-CG 3.23Å; V555-L559 PolarHBondContact O-N 3Å; V555-L559 VanDerWaalsContact O-N 3.08Å; S556-L559 PolarHBondContact O-N 3.03Å; D557-L559 VanDerWaalsContact C-N 3.29Å; D557-L559 PolarHBondContact O-N 3Å; L559-A796 HydrophobicContact CD2-CB 4.49Å; L559-A796 WeakPolarHBondContact CD2-O 3.39Å; L559-A796 HydrophobicContact CG-CB 4.39Å; L559-A799 HydrophobicContact CD1-CB 3.66Å; L559-A799 HydrophobicContact CD2-CB 4.16Å; L559-A799 HydrophobicContact CG-CB 4.41Å; L559-K800 HydrophobicContact CD2-CB 3.86Å; L559-K800 HydrophobicContact CD2-CD 4.46Å; L559-K800 HydrophobicContact CD2-CG 4.49Å; L559-Y879 HydrophobicContact CD1-CD2 4.35Å; L559-Y879 HydrophobicContact CD1-CE1 3.98Å; L559-Y879 HydrophobicContact CD1-CE2 3.73Å
560	H	90.9	Very high	92.9	Very high	140 Å²	140	43.6 Å²	43.6	65%	0.648	23%	0.229	S	C	*	.	H	α-helix	trans	-94.9	-8.8	-171.3	-59.7	90.7	0	0	0	113.7	S556 E562	S556-H560 PolarHBondContact O-N 3.45Å; S556-H560 VanDerWaalsContact O-N 3.08Å; S556-H560 PolarHBondContact O-ND1 2.73Å; H560-E562 PolarHBondContact O-N 3.17Å
561	S	87.7	Confident	92.6	Very high	35 Å²	35	44.5 Å²	44.5	25%	0.245	23%	0.229	C	C	.	.			trans	-79.9	117.3	-179	-165.8	0	0	0	0	112.5	D557 S563 F566	D557-S561 WeakPolarHBondContact O-CB 3.48Å; D557-S561 PolarHBondContact O-N 2.79Å; D557-S561 VanDerWaalsContact O-N 3.11Å; S561-S563 PolarHBondContact O-N 2.81Å; S561-S563 VanDerWaalsContact OG-CB 3.27Å; S561-S563 WeakPolarHBondContact OG-CB 3.39Å; S561-S563 PolarHBondContact OG-N 3.29Å; S561-F566 VanDerWaalsContact CB-CE2 3.42Å; S561-F566 WeakPolarHBondContact OG-CE2 3.44Å
562	E	85.6	Confident	92.3	Very high	193 Å²	193	44.6 Å²	44.6	90%	0.902	23%	0.231	S	C	*	.			trans	-71.1	4.6	166.5	-61.2	-64.6	162	0	0	112.8	H560	H560-E562 PolarHBondContact O-N 3.17Å
563	S	85.7	Confident	92.1	Very high	20 Å²	20	44.7 Å²	44.7	14%	0.14	23%	0.232	C	C	.	.			trans	-81.8	122.2	-175.7	-170.9	0	0	0	0	112.7	S561 V565 F566 H620	S561-S563 PolarHBondContact O-N 2.81Å; S561-S563 VanDerWaalsContact OG-CB 3.27Å; S561-S563 WeakPolarHBondContact OG-CB 3.39Å; S561-S563 PolarHBondContact OG-N 3.29Å; S563-V565 PolarHBondContact O-N 3.27Å; S563-V565 WeakPolarHBondContact OG-CG2 3.36Å; S563-V565 PolarHBondContact OG-N 2.95Å; S563-F566 PolarHBondContact O-N 2.96Å; S563-H620 PolarHBondContact OG-CD2 3.49Å
564	S	91.3	Very high	91.6	Very high	68 Å²	68	47.9 Å²	47.9	48%	0.476	24%	0.238	S	C	.	.	H	α-helix	trans	-59.1	-8	173.1	67.6	0	0	0	0	114.7	F566 E567 Q568	S564-F566 VanDerWaalsContact C-N 3.3Å; S564-F566 PolarHBondContact O-N 2.84Å; S564-E567 PolarHBondContact O-N 3.07Å; S564-Q568 WeakPolarHBondContact O-CB 3.29Å; S564-Q568 VanDerWaalsContact O-CG 3.27Å; S564-Q568 WeakPolarHBondContact O-CG 3.45Å; S564-Q568 PolarHBondContact O-N 3.45Å; S564-Q568 PolarHBondContact O-NE2 2.94Å; S564-Q568 VanDerWaalsContact O-NE2 3.17Å; S564-Q568 PolarHBondContact OG-NE2 2.65Å
565	V	91.8	Very high	91	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.018	27%	0.267	C	S	.	.	H	α-helix	trans	-56.6	-44.1	172.6	174.7	0	0	0	0	111.1	S563 Q568 I569 A616 V617	S563-V565 PolarHBondContact O-N 3.27Å; S563-V565 WeakPolarHBondContact OG-CG2 3.36Å; S563-V565 PolarHBondContact OG-N 2.95Å; V565-Q568 PolarHBondContact O-N 3.44Å; V565-I569 HydrophobicContact CG1-CD1 3.87Å; V565-I569 WeakPolarHBondContact O-CG1 3.48Å; V565-I569 PolarHBondContact O-N 2.73Å; V565-A616 HydrophobicContact CG2-CB 3.4Å; V565-V617 HydrophobicContact CG1-CG2 3.95Å
566	F	91.3	Very high	90.6	Very high	10 Å²	10	55.5 Å²	55.5	4%	0.044	27%	0.273	C	S	.	.	H	α-helix	trans	-69.7	-39.3	-178.5	-69.1	-69	0	0	0	112.1	V558 S561 S563 S564 I569 E570 V621 L626 F793	V558-F566 HydrophobicContact CG2-CD1 3.8Å; V558-F566 HydrophobicContact CG2-CE1 3.66Å; V558-F566 HydrophobicContact CG2-CZ 4.28Å; S561-F566 VanDerWaalsContact CB-CE2 3.42Å; S561-F566 WeakPolarHBondContact OG-CE2 3.44Å; S563-F566 PolarHBondContact O-N 2.96Å; S564-F566 VanDerWaalsContact C-N 3.3Å; S564-F566 PolarHBondContact O-N 2.84Å; F566-I569 PolarHBondContact O-N 2.68Å; F566-E570 PolarHBondContact O-N 2.97Å; F566-V621 HydrophobicContact CE1-CG2 4.17Å; F566-V621 HydrophobicContact CE2-CG2 4.48Å; F566-V621 HydrophobicContact CZ-CB 4.48Å; F566-V621 HydrophobicContact CZ-CG1 4.35Å; F566-V621 HydrophobicContact CZ-CG2 3.81Å; F566-L626 HydrophobicContact CE1-CD1 4.16Å; F566-F793 HydrophobicContact CB-CE1 4.02Å; F566-F793 HydrophobicContact CB-CZ 3.93Å; F566-F793 HydrophobicContact CD1-CE1 4.45Å; F566-F793 HydrophobicContact CD1-CE2 4.49Å; F566-F793 AromaticContact CD1-CZ 3.82Å; F566-F793 HydrophobicContact CD1-CZ 3.82Å; F566-F793 HydrophobicContact CG-CZ 4.38Å; F566-F793 VanDerWaalsContact O-CE1 3.31Å; F566-F793 WeakPolarHBondContact O-CE1 3.45Å; F566-F793 WeakPolarHBondContact O-CZ 3.29Å
567	E	89.9	Confident	90.3	Very high	128 Å²	128	54.9 Å²	54.9	60%	0.598	27%	0.268	S	S	*	.	H	α-helix	trans	-64.4	-39.2	172.6	178.2	173.9	-157.1	0	0	112	S564 E570 N571	S564-E567 PolarHBondContact O-N 3.07Å; E567-E570 PolarHBondContact O-N 2.87Å; E567-N571 WeakPolarHBondContact CG-ND2 3.27Å; E567-N571 WeakPolarHBondContact O-CB 3.48Å; E567-N571 PolarHBondContact O-N 2.66Å; E567-N571 PolarHBondContact O-ND2 2.96Å
568	Q	91.9	Very high	90.1	Very high	88 Å²	88	54 Å²	54	41%	0.411	26%	0.263	S	S	.	.	H	α-helix	trans	-62.2	-46.4	176.1	-76.1	172.6	80.8	0	0	111	S564 V565 N571 L572 L613	S564-Q568 WeakPolarHBondContact O-CB 3.29Å; S564-Q568 VanDerWaalsContact O-CG 3.27Å; S564-Q568 WeakPolarHBondContact O-CG 3.45Å; S564-Q568 PolarHBondContact O-N 3.45Å; S564-Q568 PolarHBondContact O-NE2 2.94Å; S564-Q568 VanDerWaalsContact O-NE2 3.17Å; S564-Q568 PolarHBondContact OG-NE2 2.65Å; V565-Q568 PolarHBondContact O-N 3.44Å; Q568-N571 CarbonylContact O-C 3.59Å; Q568-N571 PolarHBondContact O-N 3.45Å; Q568-L572 WeakPolarHBondContact O-CG 3.24Å; Q568-L572 PolarHBondContact O-N 3.33Å; Q568-L572 VanDerWaalsContact O-N 3.08Å; Q568-L613 HydrophobicContact CB-CD1 4.44Å; Q568-L613 HydrophobicContact CB-CD2 4.31Å
569	I	91.8	Very high	89.9	Confident	6 Å²	6	53.1 Å²	53.1	3%	0.031	26%	0.258	C	S	.	.	H	α-helix	trans	-61.4	-46	176.7	-67.4	168.2	0	0	0	111.5	V565 F566 N571 L572 L573 L613 I630 V789 F793	V565-I569 HydrophobicContact CG1-CD1 3.87Å; V565-I569 WeakPolarHBondContact O-CG1 3.48Å; V565-I569 PolarHBondContact O-N 2.73Å; F566-I569 PolarHBondContact O-N 2.68Å; I569-N571 VanDerWaalsContact C-N 3.25Å; I569-N571 PolarHBondContact O-N 3.33Å; I569-L572 WeakPolarHBondContact O-CB 3.22Å; I569-L572 PolarHBondContact O-N 3.15Å; I569-L573 PolarHBondContact O-N 3.35Å; I569-L573 VanDerWaalsContact O-N 3.16Å; I569-L613 HydrophobicContact CG1-CD1 3.98Å; I569-I630 HydrophobicContact CD1-CD1 3.96Å; I569-V789 HydrophobicContact CG2-CG1 4.02Å; I569-F793 HydrophobicContact CB-CE2 4.28Å; I569-F793 HydrophobicContact CB-CZ 4.15Å; I569-F793 HydrophobicContact CG2-CE2 3.69Å; I569-F793 HydrophobicContact CG2-CZ 4.07Å
570	E	92.3	Very high	89.9	Confident	10 Å²	10	53.4 Å²	53.4	5%	0.047	26%	0.258	C	S	.	.	H	α-helix	trans	-59	-39.1	176.2	-164.8	-166.7	149.2	0	0	111.5	K526 F566 E567 L572 L573 R574 F793 K797	K526-E570 WeakPolarHBondContact CE-OE1 3.45Å; K526-E570 HydrophobicContact CG-CG 4.34Å; F566-E570 PolarHBondContact O-N 2.97Å; E567-E570 PolarHBondContact O-N 2.87Å; E570-L572 VanDerWaalsContact C-N 3.28Å; E570-L572 PolarHBondContact O-N 3.04Å; E570-L573 PolarHBondContact O-N 3.21Å; E570-R574 WeakPolarHBondContact O-CG 3.44Å; E570-R574 PolarHBondContact O-N 3.17Å; E570-R574 VanDerWaalsContact O-N 3.17Å; E570-R574 IonicContact OE1-CZ 2.74Å; E570-R574 IonicContact OE1-NE 3.22Å; E570-R574 PolarHBondContact OE1-NE 2.95Å; E570-R574 IonicContact OE1-NH2 2.82Å; E570-R574 PolarHBondContact OE1-NH2 3.45Å; E570-R574 IonicContact OE2-NH2 2.86Å; E570-F793 HydrophobicContact CB-CD1 4.26Å; E570-F793 HydrophobicContact CB-CE1 4.03Å; E570-F793 HydrophobicContact CG-CD1 4.41Å; E570-K797 IonicContact OE1-NZ 3.52Å; E570-K797 WeakPolarHBondContact OE2-CE 3.25Å; E570-K797 IonicContact OE2-NZ 3.61Å; E570-K797 PolarHBondContact OE2-NZ 3.39Å
571	N	91.3	Very high	89.9	Confident	49 Å²	49	47.9 Å²	47.9	26%	0.262	23%	0.232	S	C	.	.	H	α-helix	trans	-74.3	-11.3	177	-76.7	-54.6	0	0	0	114.6	E567 Q568 I569 R574 K575	E567-N571 WeakPolarHBondContact CG-ND2 3.27Å; E567-N571 WeakPolarHBondContact O-CB 3.48Å; E567-N571 PolarHBondContact O-N 2.66Å; E567-N571 PolarHBondContact O-ND2 2.96Å; Q568-N571 CarbonylContact O-C 3.59Å; Q568-N571 PolarHBondContact O-N 3.45Å; I569-N571 VanDerWaalsContact C-N 3.25Å; I569-N571 PolarHBondContact O-N 3.33Å; N571-R574 PolarHBondContact OD1-NH1 3.49Å; N571-K575 VanDerWaalsContact O-CE 3.29Å; N571-K575 WeakPolarHBondContact O-CE 3.38Å; N571-K575 PolarHBondContact O-NZ 2.94Å
572	L	91	Very high	90	Very high	18 Å²	18	46.2 Å²	46.2	9%	0.094	22%	0.22	C	C	.	.	H	α-helix	trans	-78.6	-51	164.7	-52.5	-165.6	0	0	0	109.8	Q568 I569 E570 R574 K575 L606 E609 L610 L613	Q568-L572 WeakPolarHBondContact O-CG 3.24Å; Q568-L572 PolarHBondContact O-N 3.33Å; Q568-L572 VanDerWaalsContact O-N 3.08Å; I569-L572 WeakPolarHBondContact O-CB 3.22Å; I569-L572 PolarHBondContact O-N 3.15Å; E570-L572 VanDerWaalsContact C-N 3.28Å; E570-L572 PolarHBondContact O-N 3.04Å; L572-R574 VanDerWaalsContact C-N 3.29Å; L572-R574 PolarHBondContact O-N 3.25Å; L572-K575 PolarHBondContact O-N 3.13Å; L572-L606 HydrophobicContact CB-CD1 4.25Å; L572-L606 HydrophobicContact CD1-CD1 3.99Å; L572-E609 HydrophobicContact CD1-CB 3.7Å; L572-E609 HydrophobicContact CD2-CB 4.15Å; L572-E609 HydrophobicContact CD2-CG 4.47Å; L572-L610 HydrophobicContact CD1-CD2 4.09Å; L572-L610 HydrophobicContact CD1-CG 4.43Å; L572-L613 HydrophobicContact CD1-CD1 4.43Å
573	L	91	Very high	90.5	Very high	2 Å²	2	37 Å²	37	1%	0.01	18%	0.177	C	C	.	.	H	α-helix	trans	-55.2	-42.1	-177.1	-65.4	173.6	0	0	0	112.4	K526 T527 I569 E570 K575 L576 L786 V789 D790 F793	K526-L573 HydrophobicContact CB-CB 4.05Å; T527-L573 HydrophobicContact CG2-CB 4.19Å; T527-L573 HydrophobicContact CG2-CD2 4.2Å; I569-L573 PolarHBondContact O-N 3.35Å; I569-L573 VanDerWaalsContact O-N 3.16Å; E570-L573 PolarHBondContact O-N 3.21Å; L573-K575 PolarHBondContact O-N 2.88Å; L573-L576 HydrophobicContact CD2-CD1 4.03Å; L573-L576 PolarHBondContact O-N 3.4Å; L573-L576 VanDerWaalsContact O-N 3.13Å; L573-L786 HydrophobicContact CD2-CD2 4.4Å; L573-V789 HydrophobicContact CD1-CG1 4.42Å; L573-D790 HydrophobicContact CD1-CB 3.99Å; L573-F793 HydrophobicContact CD1-CD2 4.35Å
574	R	87.9	Confident	90.8	Very high	139 Å²	139	36.1 Å²	36.1	53%	0.525	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-15.6	176.7	-72	173.7	-173.8	-168.2	-0.1	115.6	K526 E570 N571 L572	K526-R574 HydrophobicContact CB-CG 4.24Å; K526-R574 HydrophobicContact CD-CG 4.03Å; K526-R574 HydrophobicContact CG-CG 3.99Å; E570-R574 WeakPolarHBondContact O-CG 3.44Å; E570-R574 PolarHBondContact O-N 3.17Å; E570-R574 VanDerWaalsContact O-N 3.17Å; E570-R574 IonicContact OE1-CZ 2.74Å; E570-R574 IonicContact OE1-NE 3.22Å; E570-R574 PolarHBondContact OE1-NE 2.95Å; E570-R574 IonicContact OE1-NH2 2.82Å; E570-R574 PolarHBondContact OE1-NH2 3.45Å; E570-R574 IonicContact OE2-NH2 2.86Å; N571-R574 PolarHBondContact OD1-NH1 3.49Å; L572-R574 VanDerWaalsContact C-N 3.29Å; L572-R574 PolarHBondContact O-N 3.25Å
575	K	83.8	Confident	90.9	Very high	137 Å²	137	33 Å²	33	60%	0.596	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.5	-3.6	-177.1	-60.4	169.6	-170.7	150.8	0	113.3	N571 L572 L573	N571-K575 VanDerWaalsContact O-CE 3.29Å; N571-K575 WeakPolarHBondContact O-CE 3.38Å; N571-K575 PolarHBondContact O-NZ 2.94Å; L572-K575 PolarHBondContact O-N 3.13Å; L573-K575 PolarHBondContact O-N 2.88Å
576	L	88.1	Confident	91	Very high	24 Å²	24	32.9 Å²	32.9	13%	0.126	15%	0.148	C	C	.	.			trans	-80.5	134	-174.7	-64	179.3	0	0	0	111.1	T527 F529 L573 L606	T527-L576 HydrophobicContact CG2-CB 4.39Å; T527-L576 HydrophobicContact CG2-CD1 4.42Å; F529-L576 HydrophobicContact CZ-CD1 4.07Å; L573-L576 HydrophobicContact CD2-CD1 4.03Å; L573-L576 PolarHBondContact O-N 3.4Å; L573-L576 VanDerWaalsContact O-N 3.13Å; L576-L606 HydrophobicContact CD1-CD2 4.25Å; L576-L606 HydrophobicContact CD2-CD2 4.37Å
577	P	89.8	Confident	91.2	Very high	4 Å²	4	32.9 Å²	32.9	3%	0.026	15%	0.148	C	C	.	.			trans	-73.3	-179.8	167	34.5	-36.2	0	0	0	110.5	N313 V579 L598 I599	N313-P577 HydrophobicContact CB-CB 4.5Å; N313-P577 WeakPolarHBondContact OD1-CA 3.22Å; N313-P577 VanDerWaalsContact OD1-CB 3.28Å; N313-P577 WeakPolarHBondContact OD1-CB 3.44Å; P577-V579 HydrophobicContact CG-CG2 4.14Å; P577-V579 PolarHBondContact O-N 3.44Å; P577-L598 HydrophobicContact CB-CD2 4.4Å; P577-L598 HydrophobicContact CG-CG 4.37Å; P577-I599 HydrophobicContact CG-CD1 4.09Å
578	D	90.4	Very high	91.3	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.011	12%	0.123	C	C	.	.			trans	-70	79.7	169.3	-160.3	-40.5	0	0	0	111.3	N313 S528 R532 E580 R581 G582	N313-D578 PolarHBondContact OD1-N 2.93Å; S528-D578 WeakPolarHBondContact CB-OD2 3.47Å; S528-D578 WeakPolarHBondContact OG-CB 3.28Å; S528-D578 PolarHBondContact OG-OD2 3.45Å; R532-D578 IonicContact CZ-OD1 3.96Å; R532-D578 IonicContact CZ-OD2 3.9Å; R532-D578 IonicContact NH1-OD1 3.07Å; R532-D578 IonicContact NH1-OD2 2.73Å; R532-D578 PolarHBondContact NH1-OD2 2.93Å; R532-D578 VanDerWaalsContact NH2-CG 3.3Å; R532-D578 IonicContact NH2-OD1 3.56Å; R532-D578 PolarHBondContact NH2-OD1 3.32Å; R532-D578 IonicContact NH2-OD2 2.71Å; R532-D578 PolarHBondContact NH2-OD2 3.22Å; D578-E580 VanDerWaalsContact C-N 3.28Å; D578-E580 PolarHBondContact O-N 2.65Å; D578-R581 HydrophobicContact CB-CB 4.27Å; D578-R581 VanDerWaalsContact CG-CD 3.45Å; D578-R581 PolarHBondContact O-N 3.28Å; D578-R581 WeakPolarHBondContact OD1-CB 3.27Å; D578-R581 WeakPolarHBondContact OD1-CG 3.5Å; D578-R581 PolarHBondContact OD1-N 3.35Å; D578-R581 WeakPolarHBondContact OD2-CD 3.46Å; D578-G582 PolarHBondContact O-N 3.05Å
579	V	92.1	Very high	91.4	Very high	3 Å²	3	26.9 Å²	26.9	2%	0.018	12%	0.119	C	C	.	.	H	α-helix	trans	-62.3	-36.4	-178.4	177	0	0	0	0	111.5	F529 P577 G582 L583 I599 L603 V783	F529-V579 HydrophobicContact CE1-CB 4.21Å; F529-V579 HydrophobicContact CE1-CG2 4.44Å; P577-V579 HydrophobicContact CG-CG2 4.14Å; P577-V579 PolarHBondContact O-N 3.44Å; V579-G582 PolarHBondContact O-N 2.98Å; V579-L583 HydrophobicContact CG1-CD1 4Å; V579-L583 HydrophobicContact CG1-CG 4.17Å; V579-L583 WeakPolarHBondContact O-CB 3.47Å; V579-L583 WeakPolarHBondContact O-CG 3.25Å; V579-L583 PolarHBondContact O-N 2.98Å; V579-I599 HydrophobicContact CG1-CG2 4.29Å; V579-L603 HydrophobicContact CG1-CD1 4.06Å; V579-L603 HydrophobicContact CG1-CD2 3.71Å; V579-L603 HydrophobicContact CG1-CG 3.96Å; V579-V783 HydrophobicContact CB-CG2 4.19Å; V579-V783 HydrophobicContact CG1-CG2 3.57Å
580	E	91.9	Very high	91.5	Very high	42 Å²	42	28.9 Å²	28.9	20%	0.196	13%	0.127	C	C	.	.	H	α-helix	trans	-60	-51.6	178.2	-163.4	-179.2	-161.8	0	0	111	T355 F529 R532 D578 G582 L583 C584 V783	T355-E580 WeakPolarHBondContact CB-OE1 3.43Å; T355-E580 VanDerWaalsContact CG2-CD 3.45Å; T355-E580 HydrophobicContact CG2-CG 3.86Å; T355-E580 WeakPolarHBondContact CG2-OE2 3.39Å; F529-E580 HydrophobicContact CB-CB 4.21Å; F529-E580 WeakPolarHBondContact CB-OE2 3.2Å; R532-E580 IonicContact CZ-OE2 2.68Å; R532-E580 IonicContact NE-OE2 2.73Å; R532-E580 PolarHBondContact NE-OE2 3.45Å; R532-E580 IonicContact NH2-OE2 3.51Å; R532-E580 PolarHBondContact NH2-OE2 3.23Å; D578-E580 VanDerWaalsContact C-N 3.28Å; D578-E580 PolarHBondContact O-N 2.65Å; E580-G582 VanDerWaalsContact C-N 3.33Å; E580-G582 PolarHBondContact O-N 3.44Å; E580-L583 PolarHBondContact O-N 3.41Å; E580-C584 PolarHBondContact O-N 2.84Å; E580-C584 PolarHBondContact O-SG 3.47Å; E580-V783 HydrophobicContact CB-CG1 4.07Å; E580-V783 HydrophobicContact CG-CG1 4.49Å
581	R	90.6	Very high	91.5	Very high	24 Å²	24	28.5 Å²	28.5	9%	0.091	13%	0.126	C	C	.	.	H	α-helix	trans	-62.5	-39.4	175.1	-73.1	172.6	66.6	-152.8	-1.4	112.5	D315 A354 D578 C584 S585	D315-R581 VanDerWaalsContact O-CZ 3.28Å; D315-R581 PolarHBondContact O-NH1 2.74Å; D315-R581 PolarHBondContact O-NH2 2.82Å; A354-R581 HydrophobicContact CB-CG 4.37Å; A354-R581 VanDerWaalsContact O-CA 3.29Å; A354-R581 WeakPolarHBondContact O-CA 3.15Å; A354-R581 VanDerWaalsContact O-CG 3.25Å; A354-R581 WeakPolarHBondContact O-CG 3.36Å; D578-R581 HydrophobicContact CB-CB 4.27Å; D578-R581 VanDerWaalsContact CG-CD 3.45Å; D578-R581 PolarHBondContact O-N 3.28Å; D578-R581 WeakPolarHBondContact OD1-CB 3.27Å; D578-R581 WeakPolarHBondContact OD1-CG 3.5Å; D578-R581 PolarHBondContact OD1-N 3.35Å; D578-R581 WeakPolarHBondContact OD2-CD 3.46Å; R581-C584 PolarHBondContact O-N 3.37Å; R581-S585 WeakPolarHBondContact O-CB 3.43Å; R581-S585 PolarHBondContact O-N 2.89Å
582	G	91.4	Very high	91.6	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-60.3	-48.1	176.1	0	0	0	0	0	113	D578 V579 E580 C584 S585 I586	D578-G582 PolarHBondContact O-N 3.05Å; V579-G582 PolarHBondContact O-N 2.98Å; E580-G582 VanDerWaalsContact C-N 3.33Å; E580-G582 PolarHBondContact O-N 3.44Å; G582-C584 VanDerWaalsContact C-N 3.3Å; G582-C584 PolarHBondContact O-N 3.43Å; G582-S585 WeakPolarHBondContact O-CB 3.44Å; G582-S585 PolarHBondContact O-N 2.79Å; G582-I586 WeakPolarHBondContact O-CD1 3.28Å; G582-I586 WeakPolarHBondContact O-CG1 3.24Å; G582-I586 PolarHBondContact O-N 3.15Å
583	L	94.4	Very high	91.7	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-61	-37.5	177.1	-72.9	173.6	0	0	0	112.2	V579 E580 I586 Y587 I599 L603 F772 Y776 L779 V783	V579-L583 HydrophobicContact CG1-CD1 4Å; V579-L583 HydrophobicContact CG1-CG 4.17Å; V579-L583 WeakPolarHBondContact O-CB 3.47Å; V579-L583 WeakPolarHBondContact O-CG 3.25Å; V579-L583 PolarHBondContact O-N 2.98Å; E580-L583 PolarHBondContact O-N 3.41Å; L583-I586 PolarHBondContact O-N 2.85Å; L583-Y587 WeakPolarHBondContact O-CB 3.34Å; L583-Y587 PolarHBondContact O-N 2.62Å; L583-I599 HydrophobicContact CD2-CG2 4.21Å; L583-I599 HydrophobicContact CG-CG2 4.41Å; L583-L603 HydrophobicContact CD2-CD1 4.21Å; L583-F772 HydrophobicContact CD2-CE1 4.06Å; L583-F772 HydrophobicContact CD2-CZ 4.32Å; L583-Y776 HydrophobicContact CB-CD2 4.23Å; L583-Y776 HydrophobicContact CB-CE2 4.11Å; L583-L779 HydrophobicContact CD1-CB 3.83Å; L583-L779 HydrophobicContact CD2-CB 4.13Å; L583-L779 HydrophobicContact CD2-CD1 3.84Å; L583-V783 HydrophobicContact CD1-CG2 3.92Å
584	C	93.3	Very high	91.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-68.6	-44	176.5	-60.3	0	0	0	0	112.3	T355 G356 E580 R581 G582 I586 Y587 H588 Y776	T355-C584 WeakPolarHBondContact CA-SG 3.39Å; T355-C584 PolarHBondContact O-SG 2.94Å; G356-C584 PolarHBondContact N-SG 2.88Å; E580-C584 PolarHBondContact O-N 2.84Å; E580-C584 PolarHBondContact O-SG 3.47Å; R581-C584 PolarHBondContact O-N 3.37Å; G582-C584 VanDerWaalsContact C-N 3.3Å; G582-C584 PolarHBondContact O-N 3.43Å; C584-I586 PolarHBondContact O-N 3.1Å; C584-Y587 PolarHBondContact O-N 2.93Å; C584-H588 PolarHBondContact O-CD2 3.43Å; C584-H588 PolarHBondContact O-N 2.8Å; C584-Y776 PolarHBondContact SG-OH 2.88Å
585	S	93.3	Very high	92	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.014	11%	0.107	C	C	.	.	H	α-helix	trans	-57.1	-39.1	174.1	-168	0	0	0	0	111.9	R581 G582 K589 K590 C591 E595	R581-S585 WeakPolarHBondContact O-CB 3.43Å; R581-S585 PolarHBondContact O-N 2.89Å; G582-S585 WeakPolarHBondContact O-CB 3.44Å; G582-S585 PolarHBondContact O-N 2.79Å; S585-K589 PolarHBondContact O-N 3Å; S585-K590 PolarHBondContact O-N 3.49Å; S585-C591 PolarHBondContact O-N 2.95Å; S585-C591 VanDerWaalsContact O-N 3.12Å; S585-C591 WeakPolarHBondContact OG-CA 3.49Å; S585-C591 WeakPolarHBondContact OG-CB 3.43Å; S585-E595 WeakPolarHBondContact CB-OE1 3.41Å; S585-E595 PolarHBondContact OG-OE1 3.17Å
586	I	94.3	Very high	92.5	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	8%	0.078	C	C	.	.	H	α-helix	trans	-67.8	-49.3	173.4	-65.7	164.2	0	0	0	111.6	G582 L583 C584 H588 K589 C591 F596 I599 L769 F772	G582-I586 WeakPolarHBondContact O-CD1 3.28Å; G582-I586 WeakPolarHBondContact O-CG1 3.24Å; G582-I586 PolarHBondContact O-N 3.15Å; L583-I586 PolarHBondContact O-N 2.85Å; C584-I586 PolarHBondContact O-N 3.1Å; I586-H588 VanDerWaalsContact C-N 3.34Å; I586-H588 PolarHBondContact O-N 2.96Å; I586-K589 VanDerWaalsContact O-CA 3.32Å; I586-K589 WeakPolarHBondContact O-CA 3.47Å; I586-K589 PolarHBondContact O-N 3.37Å; I586-C591 HydrophobicContact CG1-CB 4.02Å; I586-F596 HydrophobicContact CD1-CD2 3.9Å; I586-F596 HydrophobicContact CD1-CE2 4.46Å; I586-F596 HydrophobicContact CD1-CG 4.49Å; I586-F596 HydrophobicContact CG1-CD2 3.86Å; I586-F596 HydrophobicContact CG2-CD2 3.91Å; I586-F596 HydrophobicContact CG2-CE2 3.92Å; I586-I599 HydrophobicContact CD1-CB 4.04Å; I586-I599 HydrophobicContact CD1-CG1 4.32Å; I586-I599 HydrophobicContact CD1-CG2 3.97Å; I586-L769 HydrophobicContact CG2-CD2 4.28Å; I586-F772 HydrophobicContact CD1-CE1 4.36Å; I586-F772 HydrophobicContact CG2-CD1 3.47Å; I586-F772 VanDerWaalsContact CG2-CD1 3.47Å; I586-F772 HydrophobicContact CG2-CE1 3.77Å; I586-F772 HydrophobicContact CG2-CG 4.49Å
587	Y	94.5	Very high	92.8	Very high	11 Å²	11	16.8 Å²	16.8	4%	0.043	8%	0.078	C	C	.	.	H	α-helix	trans	-62.9	-36.6	-177	-177.6	-106.1	0	0	0	113.4	K475 S478 L583 C584 K589 Y776	K475-Y587 HydrophobicContact CB-CE1 4.16Å; K475-Y587 HydrophobicContact CD-CD1 4.3Å; K475-Y587 HydrophobicContact CD-CE1 3.87Å; K475-Y587 HydrophobicContact CD-CE2 4.41Å; K475-Y587 HydrophobicContact CG-CE1 3.73Å; K475-Y587 PolarHBondContact O-OH 2.9Å; S478-Y587 PolarHBondContact OG-OH 2.66Å; L583-Y587 WeakPolarHBondContact O-CB 3.34Å; L583-Y587 PolarHBondContact O-N 2.62Å; C584-Y587 PolarHBondContact O-N 2.93Å; Y587-K589 PolarHBondContact O-N 3.21Å; Y587-Y776 HydrophobicContact CD1-CD1 4.43Å; Y587-Y776 HydrophobicContact CD1-CE1 4.37Å; Y587-Y776 AromaticContact CD2-CD1 3.79Å; Y587-Y776 HydrophobicContact CD2-CD1 3.79Å; Y587-Y776 AromaticContact CD2-CD2 3.93Å; Y587-Y776 HydrophobicContact CD2-CD2 3.93Å; Y587-Y776 HydrophobicContact CD2-CE1 4.49Å; Y587-Y776 AromaticContact CD2-CG 3.47Å; Y587-Y776 HydrophobicContact CD2-CG 3.47Å; Y587-Y776 VanDerWaalsContact CD2-CG 3.47Å; Y587-Y776 HydrophobicContact CE1-CD1 4.49Å; Y587-Y776 HydrophobicContact CE1-CE1 4.49Å; Y587-Y776 AromaticContact CE2-CD1 3.84Å; Y587-Y776 HydrophobicContact CE2-CD1 3.84Å; Y587-Y776 AromaticContact CE2-CG 3.94Å; Y587-Y776 HydrophobicContact CE2-CG 3.94Å; Y587-Y776 HydrophobicContact CG-CD1 4.08Å; Y587-Y776 AromaticContact CG-CD2 3.86Å; Y587-Y776 HydrophobicContact CG-CD2 3.86Å; Y587-Y776 HydrophobicContact CG-CE1 4.36Å; Y587-Y776 HydrophobicContact CG-CE2 4.14Å; Y587-Y776 AromaticContact CG-CG 3.83Å; Y587-Y776 HydrophobicContact CG-CG 3.83Å
588	H	92.4	Very high	93	Very high	17 Å²	17	17.9 Å²	17.9	8%	0.079	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-1.2	170.8	-67	-60.7	0	0	0	113.9	L473 C584 I586 K590	L473-H588 HydrophobicContact CD2-CB 4.22Å; L473-H588 PolarHBondContact O-CE1 3.36Å; L473-H588 VanDerWaalsContact O-CE1 3.24Å; C584-H588 PolarHBondContact O-CD2 3.43Å; C584-H588 PolarHBondContact O-N 2.8Å; I586-H588 VanDerWaalsContact C-N 3.34Å; I586-H588 PolarHBondContact O-N 2.96Å; H588-K590 VanDerWaalsContact C-N 3.28Å; H588-K590 HydrophobicContact CB-CD 4.24Å; H588-K590 HydrophobicContact CB-CG 4.48Å; H588-K590 PolarHBondContact O-N 3.07Å
589	K	94.6	Very high	93.1	Very high	73 Å²	73	17.8 Å²	17.8	32%	0.317	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	34.7	-179.2	-53	-171.4	-67.6	-164.1	0	114.2	S585 I586 Y587 L766 L769 E770	S585-K589 PolarHBondContact O-N 3Å; I586-K589 VanDerWaalsContact O-CA 3.32Å; I586-K589 WeakPolarHBondContact O-CA 3.47Å; I586-K589 PolarHBondContact O-N 3.37Å; Y587-K589 PolarHBondContact O-N 3.21Å; K589-L766 HydrophobicContact CB-CD2 3.91Å; K589-L766 WeakPolarHBondContact CD-O 3.4Å; K589-L769 HydrophobicContact CB-CB 4.43Å; K589-L769 HydrophobicContact CB-CD1 4.16Å; K589-L769 HydrophobicContact CD-CB 4.18Å; K589-L769 HydrophobicContact CG-CB 3.92Å; K589-L769 HydrophobicContact CG-CD1 4.49Å; K589-E770 HydrophobicContact CD-CB 4.19Å; K589-E770 WeakPolarHBondContact CD-OE2 3.38Å; K589-E770 WeakPolarHBondContact CE-OE2 3.29Å; K589-E770 IonicContact NZ-OE2 3.62Å; K589-E770 PolarHBondContact NZ-OE2 2.86Å
590	K	92.6	Very high	93.3	Very high	48 Å²	48	17.6 Å²	17.6	21%	0.209	8%	0.082	C	C	.	.			trans	-113.8	-3	-177.3	-72.7	172.7	179.6	171.7	0	114.1	I298 G299 E300 F471 N472 L473 S585 H588	I298-K590 HydrophobicContact CG2-CD 4.33Å; G299-K590 CarbonylContact C-O 3.53Å; G299-K590 VanDerWaalsContact CA-O 3.24Å; G299-K590 WeakPolarHBondContact CA-O 3.48Å; E300-K590 PolarHBondContact N-O 2.92Å; F471-K590 PolarHBondContact O-NZ 3.12Å; N472-K590 WeakPolarHBondContact O-CE 3.36Å; N472-K590 PolarHBondContact O-NZ 3.12Å; L473-K590 HydrophobicContact CD2-CD 4.42Å; L473-K590 VanDerWaalsContact CD2-NZ 3.29Å; S585-K590 PolarHBondContact O-N 3.49Å; H588-K590 VanDerWaalsContact C-N 3.28Å; H588-K590 HydrophobicContact CB-CD 4.24Å; H588-K590 HydrophobicContact CB-CG 4.48Å; H588-K590 PolarHBondContact O-N 3.07Å
591	C	93.4	Very high	93.3	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.014	9%	0.09	C	C	.	.			trans	-71.5	157.1	178.6	67.6	0	0	0	0	113.3	S585 I586 E595	S585-C591 PolarHBondContact O-N 2.95Å; S585-C591 VanDerWaalsContact O-N 3.12Å; S585-C591 WeakPolarHBondContact OG-CA 3.49Å; S585-C591 WeakPolarHBondContact OG-CB 3.43Å; I586-C591 HydrophobicContact CG1-CB 4.02Å; C591-E595 WeakPolarHBondContact CA-OE2 3.27Å; C591-E595 HydrophobicContact CB-CB 4.48Å; C591-E595 HydrophobicContact CB-CG 4.19Å; C591-E595 VanDerWaalsContact CB-OE2 3.31Å; C591-E595 WeakPolarHBondContact CB-OE2 3.42Å
592	S	93	Very high	93.4	Very high	16 Å²	16	19.2 Å²	19.2	11%	0.112	9%	0.091	C	C	.	.			trans	-81.1	161.3	167.8	68.8	0	0	0	0	111.9	E300 Q594 E595 F596	E300-S592 WeakPolarHBondContact OE2-CA 3.49Å; E300-S592 WeakPolarHBondContact OE2-CB 3.32Å; S592-Q594 PolarHBondContact O-N 2.99Å; S592-E595 PolarHBondContact N-OE2 3.13Å; S592-E595 PolarHBondContact O-N 3.03Å; S592-E595 WeakPolarHBondContact OG-CB 3.44Å; S592-E595 PolarHBondContact OG-N 3.26Å; S592-E595 VanDerWaalsContact OG-N 3.1Å; S592-F596 PolarHBondContact O-N 3.31Å
593	T	93.7	Very high	93.6	Very high	4 Å²	4	19.2 Å²	19.2	3%	0.025	9%	0.091	C	C	.	.	H	α-helix	trans	-63.2	-29.1	172.1	61.4	0	0	0	0	112.4	F597 A652 G655 K657 L660 W765	T593-F597 VanDerWaalsContact O-CB 3.22Å; T593-F597 WeakPolarHBondContact O-CB 3.5Å; T593-F597 PolarHBondContact O-N 3.26Å; T593-A652 CarbonylContact C-O 3.57Å; T593-A652 PolarHBondContact OG1-O 2.87Å; T593-G655 WeakPolarHBondContact OG1-CA 3.38Å; T593-K657 HydrophobicContact CG2-CD 4.45Å; T593-K657 HydrophobicContact CG2-CG 3.77Å; T593-L660 HydrophobicContact CG2-CD1 4.38Å; T593-L660 HydrophobicContact CG2-CD2 3.79Å; T593-W765 HydrophobicContact CG2-CD2 4.3Å; T593-W765 HydrophobicContact CG2-CE3 4.37Å; T593-W765 HydrophobicContact CG2-CH2 3.97Å; T593-W765 HydrophobicContact CG2-CZ2 3.87Å; T593-W765 HydrophobicContact CG2-CZ3 4.22Å
594	Q	92.3	Very high	93.6	Very high	75 Å²	75	19.9 Å²	19.9	35%	0.35	10%	0.095	S	C	.	.	H	α-helix	trans	-68.6	-45.4	178.7	-54.6	-176.1	15.4	0	0	110.3	L305 S592 L598 A652 K653 V654	L305-Q594 HydrophobicContact CD1-CB 3.75Å; S592-Q594 PolarHBondContact O-N 2.99Å; Q594-L598 WeakPolarHBondContact O-CB 3.41Å; Q594-L598 PolarHBondContact O-N 2.89Å; Q594-A652 WeakPolarHBondContact CA-O 3.31Å; Q594-A652 VanDerWaalsContact CG-O 3.25Å; Q594-A652 WeakPolarHBondContact CG-O 3.35Å; Q594-A652 PolarHBondContact N-O 2.77Å; Q594-K653 VanDerWaalsContact CD-O 3.32Å; Q594-K653 PolarHBondContact NE2-O 2.97Å; Q594-V654 PolarHBondContact NE2-O 3.07Å
595	E	92.3	Very high	93.5	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-65.6	-50.9	176.8	-179.1	-174.9	-177.2	0	0	111.3	L305 I314 S585 C591 S592 F597 L598 I599	L305-E595 HydrophobicContact CD2-CB 4.36Å; I314-E595 HydrophobicContact CD1-CG 4.02Å; I314-E595 HydrophobicContact CG1-CG 4.44Å; S585-E595 WeakPolarHBondContact CB-OE1 3.41Å; S585-E595 PolarHBondContact OG-OE1 3.17Å; C591-E595 WeakPolarHBondContact CA-OE2 3.27Å; C591-E595 HydrophobicContact CB-CB 4.48Å; C591-E595 HydrophobicContact CB-CG 4.19Å; C591-E595 VanDerWaalsContact CB-OE2 3.31Å; C591-E595 WeakPolarHBondContact CB-OE2 3.42Å; S592-E595 PolarHBondContact N-OE2 3.13Å; S592-E595 PolarHBondContact O-N 3.03Å; S592-E595 WeakPolarHBondContact OG-CB 3.44Å; S592-E595 PolarHBondContact OG-N 3.26Å; S592-E595 VanDerWaalsContact OG-N 3.1Å; E595-F597 VanDerWaalsContact C-N 3.31Å; E595-F597 PolarHBondContact O-N 3.16Å; E595-L598 WeakPolarHBondContact O-CB 3.5Å; E595-L598 PolarHBondContact O-N 3.5Å; E595-L598 VanDerWaalsContact O-N 3.1Å; E595-I599 WeakPolarHBondContact O-CG1 3.16Å; E595-I599 PolarHBondContact O-N 3.11Å
596	F	94.8	Very high	93.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-53.9	-48.4	174.5	-176.5	-79.7	0	0	0	111.5	I586 S592 L598 I599 V600 L647 W765 F768 L769 F772	I586-F596 HydrophobicContact CD1-CD2 3.9Å; I586-F596 HydrophobicContact CD1-CE2 4.46Å; I586-F596 HydrophobicContact CD1-CG 4.49Å; I586-F596 HydrophobicContact CG1-CD2 3.86Å; I586-F596 HydrophobicContact CG2-CD2 3.91Å; I586-F596 HydrophobicContact CG2-CE2 3.92Å; S592-F596 PolarHBondContact O-N 3.31Å; F596-L598 VanDerWaalsContact C-N 3.33Å; F596-L598 PolarHBondContact O-N 3.14Å; F596-I599 PolarHBondContact O-N 3.17Å; F596-V600 HydrophobicContact CD1-CB 4.4Å; F596-V600 HydrophobicContact CD1-CG2 3.95Å; F596-V600 HydrophobicContact CE1-CB 4.12Å; F596-V600 HydrophobicContact CE1-CG1 4.4Å; F596-V600 HydrophobicContact CE1-CG2 3.51Å; F596-V600 HydrophobicContact CE2-CG2 4.27Å; F596-V600 HydrophobicContact CG-CG2 4.47Å; F596-V600 HydrophobicContact CZ-CG2 3.7Å; F596-V600 WeakPolarHBondContact O-CB 3.46Å; F596-V600 WeakPolarHBondContact O-CG2 3.33Å; F596-V600 PolarHBondContact O-N 3.36Å; F596-L647 HydrophobicContact CD1-CD1 3.69Å; F596-L647 HydrophobicContact CE1-CD1 3.52Å; F596-W765 HydrophobicContact CB-CH2 3.69Å; F596-W765 HydrophobicContact CB-CZ2 4.17Å; F596-W765 HydrophobicContact CD1-CH2 4.14Å; F596-W765 HydrophobicContact CD2-CH2 4.05Å; F596-W765 AromaticContact CG-CH2 3.69Å; F596-W765 HydrophobicContact CG-CH2 3.69Å; F596-W765 HydrophobicContact CG-CZ2 4.47Å; F596-F768 AromaticContact CE1-CE1 3.72Å; F596-F768 HydrophobicContact CE1-CE1 3.72Å; F596-F768 HydrophobicContact CE1-CZ 4.28Å; F596-F768 HydrophobicContact CE2-CE1 4.3Å; F596-F768 HydrophobicContact CZ-CD1 4.41Å; F596-F768 AromaticContact CZ-CE1 3.59Å; F596-F768 HydrophobicContact CZ-CE1 3.59Å; F596-F768 HydrophobicContact CZ-CZ 4.24Å; F596-L769 HydrophobicContact CD2-CD2 3.29Å; F596-L769 HydrophobicContact CE2-CD2 3.42Å; F596-L769 VanDerWaalsContact CE2-CD2 3.42Å; F596-L769 HydrophobicContact CG-CD2 4.26Å; F596-L769 HydrophobicContact CZ-CD2 4.45Å; F596-F772 HydrophobicContact CE2-CB 4.27Å; F596-F772 HydrophobicContact CE2-CD1 4.01Å; F596-F772 HydrophobicContact CE2-CD2 4.15Å; F596-F772 HydrophobicContact CE2-CE1 4.39Å; F596-F772 AromaticContact CE2-CG 3.87Å; F596-F772 HydrophobicContact CE2-CG 3.87Å; F596-F772 HydrophobicContact CZ-CB 4.45Å; F596-F772 AromaticContact CZ-CD2 3.85Å; F596-F772 HydrophobicContact CZ-CD2 3.85Å; F596-F772 HydrophobicContact CZ-CE2 4.2Å; F596-F772 HydrophobicContact CZ-CG 4.02Å
597	F	94.3	Very high	93.5	Very high	27 Å²	27	24.5 Å²	24.5	12%	0.118	12%	0.116	C	C	.	.	H	α-helix	trans	-65.4	-34.9	179.7	-176	-93.1	0	0	0	112.4	T593 E595 K601 L644 L647 A652	T593-F597 VanDerWaalsContact O-CB 3.22Å; T593-F597 WeakPolarHBondContact O-CB 3.5Å; T593-F597 PolarHBondContact O-N 3.26Å; E595-F597 VanDerWaalsContact C-N 3.31Å; E595-F597 PolarHBondContact O-N 3.16Å; F597-K601 HydrophobicContact CE1-CD 3.96Å; F597-K601 HydrophobicContact CZ-CD 4.37Å; F597-K601 WeakPolarHBondContact O-CB 3.38Å; F597-K601 PolarHBondContact O-N 3.4Å; F597-L644 HydrophobicContact CD2-CD1 4.1Å; F597-L644 HydrophobicContact CE2-CD1 3.69Å; F597-L644 HydrophobicContact CZ-CD1 4.31Å; F597-L647 HydrophobicContact CD2-CB 4.48Å; F597-A652 HydrophobicContact CB-CB 3.86Å; F597-A652 HydrophobicContact CD2-CB 3.98Å; F597-A652 HydrophobicContact CG-CB 3.93Å
598	L	92.9	Very high	93.5	Very high	26 Å²	26	27.1 Å²	27.1	14%	0.136	14%	0.136	C	C	.	.	H	α-helix	trans	-62	-51.7	172.6	176.9	63.7	0	0	0	111	L305 V312 P577 Q594 E595 F596 K601 S602	L305-L598 HydrophobicContact CD1-CD2 4.28Å; L305-L598 HydrophobicContact CD2-CD2 3.72Å; V312-L598 HydrophobicContact CB-CD1 4.36Å; V312-L598 HydrophobicContact CG1-CD1 4.48Å; V312-L598 HydrophobicContact CG1-CD2 4.03Å; P577-L598 HydrophobicContact CB-CD2 4.4Å; P577-L598 HydrophobicContact CG-CG 4.37Å; Q594-L598 WeakPolarHBondContact O-CB 3.41Å; Q594-L598 PolarHBondContact O-N 2.89Å; E595-L598 WeakPolarHBondContact O-CB 3.5Å; E595-L598 PolarHBondContact O-N 3.5Å; E595-L598 VanDerWaalsContact O-N 3.1Å; F596-L598 VanDerWaalsContact C-N 3.33Å; F596-L598 PolarHBondContact O-N 3.14Å; L598-K601 PolarHBondContact O-N 2.97Å; L598-S602 WeakPolarHBondContact O-CB 3.17Å; L598-S602 PolarHBondContact O-N 3.13Å; L598-S602 PolarHBondContact O-OG 3.1Å
599	I	93.9	Very high	93.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.1	-51.9	-177.7	-61.7	-50.9	0	0	0	111.6	I314 P577 V579 L583 I586 E595 F596 K601 S602 L603	I314-I599 HydrophobicContact CD1-CD1 4.16Å; P577-I599 HydrophobicContact CG-CD1 4.09Å; V579-I599 HydrophobicContact CG1-CG2 4.29Å; L583-I599 HydrophobicContact CD2-CG2 4.21Å; L583-I599 HydrophobicContact CG-CG2 4.41Å; I586-I599 HydrophobicContact CD1-CB 4.04Å; I586-I599 HydrophobicContact CD1-CG1 4.32Å; I586-I599 HydrophobicContact CD1-CG2 3.97Å; E595-I599 WeakPolarHBondContact O-CG1 3.16Å; E595-I599 PolarHBondContact O-N 3.11Å; F596-I599 PolarHBondContact O-N 3.17Å; I599-K601 VanDerWaalsContact C-N 3.32Å; I599-K601 PolarHBondContact O-N 2.94Å; I599-S602 PolarHBondContact O-N 3.08Å; I599-L603 HydrophobicContact CG2-CD1 4.13Å; I599-L603 WeakPolarHBondContact O-CB 3.48Å; I599-L603 WeakPolarHBondContact O-CG 3.48Å; I599-L603 PolarHBondContact O-N 2.98Å
600	V	94.8	Very high	93.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.4	-34.9	-178.8	169	0	0	0	0	111.6	F596 C604 V640 L644 F772	F596-V600 HydrophobicContact CD1-CB 4.4Å; F596-V600 HydrophobicContact CD1-CG2 3.95Å; F596-V600 HydrophobicContact CE1-CB 4.12Å; F596-V600 HydrophobicContact CE1-CG1 4.4Å; F596-V600 HydrophobicContact CE1-CG2 3.51Å; F596-V600 HydrophobicContact CE2-CG2 4.27Å; F596-V600 HydrophobicContact CG-CG2 4.47Å; F596-V600 HydrophobicContact CZ-CG2 3.7Å; F596-V600 WeakPolarHBondContact O-CB 3.46Å; F596-V600 WeakPolarHBondContact O-CG2 3.33Å; F596-V600 PolarHBondContact O-N 3.36Å; V600-C604 VanDerWaalsContact O-CB 3.26Å; V600-C604 WeakPolarHBondContact O-CB 3.27Å; V600-C604 PolarHBondContact O-N 2.97Å; V600-V640 HydrophobicContact CB-CG1 4.25Å; V600-V640 HydrophobicContact CG1-CG1 3.74Å; V600-V640 WeakPolarHBondContact O-CG1 3.43Å; V600-L644 HydrophobicContact CG1-CB 3.84Å; V600-L644 HydrophobicContact CG1-CD1 4.18Å; V600-F772 HydrophobicContact CG2-CE2 3.72Å; V600-F772 HydrophobicContact CG2-CZ 3.79Å
601	K	93.3	Very high	93.3	Very high	86 Å²	86	29.3 Å²	29.3	37%	0.374	15%	0.148	S	C	.	.	H	α-helix	trans	-65.7	-47.8	171.4	179.5	176.6	171.5	-73.1	0	112	F597 L598 I599 C604 Q605 L644	F597-K601 HydrophobicContact CE1-CD 3.96Å; F597-K601 HydrophobicContact CZ-CD 4.37Å; F597-K601 WeakPolarHBondContact O-CB 3.38Å; F597-K601 PolarHBondContact O-N 3.4Å; L598-K601 PolarHBondContact O-N 2.97Å; I599-K601 VanDerWaalsContact C-N 3.32Å; I599-K601 PolarHBondContact O-N 2.94Å; K601-C604 PolarHBondContact O-N 3.01Å; K601-Q605 WeakPolarHBondContact O-CG 3.36Å; K601-Q605 PolarHBondContact O-N 3.28Å; K601-L644 HydrophobicContact CB-CD1 4.22Å
602	S	93.1	Very high	93.3	Very high	14 Å²	14	33 Å²	33	10%	0.098	18%	0.179	C	C	.	.	H	α-helix	trans	-62.6	-44.5	-178.5	-63.4	0	0	0	0	111.8	L598 I599 C604 Q605 L606	L598-S602 WeakPolarHBondContact O-CB 3.17Å; L598-S602 PolarHBondContact O-N 3.13Å; L598-S602 PolarHBondContact O-OG 3.1Å; I599-S602 PolarHBondContact O-N 3.08Å; S602-C604 PolarHBondContact O-N 3.02Å; S602-Q605 PolarHBondContact O-N 3.21Å; S602-L606 WeakPolarHBondContact O-CB 3.44Å; S602-L606 PolarHBondContact O-N 3.3Å
603	L	94	Very high	93.3	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.2	-39.2	174.8	-75.2	-178.4	0	0	0	112.7	V579 L583 I599 L606 K607 L637 V640	V579-L603 HydrophobicContact CG1-CD1 4.06Å; V579-L603 HydrophobicContact CG1-CD2 3.71Å; V579-L603 HydrophobicContact CG1-CG 3.96Å; L583-L603 HydrophobicContact CD2-CD1 4.21Å; I599-L603 HydrophobicContact CG2-CD1 4.13Å; I599-L603 WeakPolarHBondContact O-CB 3.48Å; I599-L603 WeakPolarHBondContact O-CG 3.48Å; I599-L603 PolarHBondContact O-N 2.98Å; L603-L606 PolarHBondContact O-N 2.91Å; L603-K607 WeakPolarHBondContact O-CB 3.3Å; L603-K607 PolarHBondContact O-N 2.95Å; L603-L637 HydrophobicContact CB-CD2 4.39Å; L603-L637 HydrophobicContact CD1-CD2 4.34Å; L603-L637 HydrophobicContact CD2-CD1 4.36Å; L603-L637 HydrophobicContact CD2-CD2 3.65Å; L603-L637 HydrophobicContact CG-CD2 4.35Å; L603-V640 HydrophobicContact CB-CG1 3.78Å; L603-V640 HydrophobicContact CB-CG2 4.17Å; L603-V640 HydrophobicContact CD1-CG2 4.3Å
604	C	94.1	Very high	93.1	Very high	14 Å²	14	35 Å²	35	10%	0.095	19%	0.187	C	C	.	.	H	α-helix	trans	-69.6	-36.4	177.1	-169.5	0	0	0	0	112.7	V600 K601 S602 S608 V640 L644	V600-C604 VanDerWaalsContact O-CB 3.26Å; V600-C604 WeakPolarHBondContact O-CB 3.27Å; V600-C604 PolarHBondContact O-N 2.97Å; K601-C604 PolarHBondContact O-N 3.01Å; S602-C604 PolarHBondContact O-N 3.02Å; C604-S608 PolarHBondContact O-N 2.91Å; C604-S608 PolarHBondContact O-OG 3.34Å; C604-V640 HydrophobicContact CB-CG1 4.07Å; C604-L644 HydrophobicContact CB-CD2 3.57Å
605	Q	92.3	Very high	93	Very high	79 Å²	79	35.9 Å²	35.9	37%	0.369	20%	0.2	S	C	.	.	H	α-helix	trans	-64	-48.8	173.1	-74.7	-175.3	-105.3	0	0	110.9	K601 S602 K607 S608 E609	K601-Q605 WeakPolarHBondContact O-CG 3.36Å; K601-Q605 PolarHBondContact O-N 3.28Å; S602-Q605 PolarHBondContact O-N 3.21Å; Q605-K607 VanDerWaalsContact C-N 3.32Å; Q605-K607 PolarHBondContact O-N 3.11Å; Q605-S608 PolarHBondContact O-N 2.87Å; Q605-S608 VanDerWaalsContact O-N 3.09Å; Q605-E609 WeakPolarHBondContact O-CB 3.3Å; Q605-E609 WeakPolarHBondContact O-CG 3.42Å; Q605-E609 PolarHBondContact O-N 3.2Å
606	L	93	Very high	92.9	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.016	21%	0.21	C	C	.	.	H	α-helix	trans	-58.3	-42.8	178	-177.6	67.5	0	0	0	112.1	L572 L576 S602 L603 S608 E609 L610 L637 L786	L572-L606 HydrophobicContact CB-CD1 4.25Å; L572-L606 HydrophobicContact CD1-CD1 3.99Å; L576-L606 HydrophobicContact CD1-CD2 4.25Å; L576-L606 HydrophobicContact CD2-CD2 4.37Å; S602-L606 WeakPolarHBondContact O-CB 3.44Å; S602-L606 PolarHBondContact O-N 3.3Å; L603-L606 PolarHBondContact O-N 2.91Å; L606-S608 PolarHBondContact O-N 2.85Å; L606-E609 PolarHBondContact O-N 2.93Å; L606-L610 HydrophobicContact CD1-CD1 3.94Å; L606-L610 HydrophobicContact CD1-CG 3.95Å; L606-L610 HydrophobicContact CG-CD1 3.89Å; L606-L610 HydrophobicContact CG-CG 4.26Å; L606-L610 WeakPolarHBondContact O-CB 3.35Å; L606-L610 VanDerWaalsContact O-CG 3.31Å; L606-L610 WeakPolarHBondContact O-CG 3.38Å; L606-L610 PolarHBondContact O-N 3.4Å; L606-L637 HydrophobicContact CD2-CD1 4.07Å; L606-L637 HydrophobicContact CG-CD1 4.31Å; L606-L786 HydrophobicContact CD1-CD2 4.4Å; L606-L786 HydrophobicContact CD2-CD1 3.33Å; L606-L786 HydrophobicContact CD2-CD2 3.85Å; L606-L786 HydrophobicContact CD2-CG 4.22Å
607	K	94.4	Very high	92.7	Very high	19 Å²	19	37.2 Å²	37.2	8%	0.083	21%	0.21	C	C	.	.	H	α-helix	trans	-52.5	-54	171.7	-179.8	-164.4	174.2	-175.9	0	110.9	L603 Q605 Q611 L637 S638 E641	L603-K607 WeakPolarHBondContact O-CB 3.3Å; L603-K607 PolarHBondContact O-N 2.95Å; Q605-K607 VanDerWaalsContact C-N 3.32Å; Q605-K607 PolarHBondContact O-N 3.11Å; K607-Q611 WeakPolarHBondContact O-CB 3.06Å; K607-Q611 PolarHBondContact O-N 3.31Å; K607-L637 HydrophobicContact CB-CB 4.04Å; K607-L637 HydrophobicContact CB-CD1 4.45Å; K607-L637 HydrophobicContact CG-CB 4.29Å; K607-S638 PolarHBondContact NZ-O 3.33Å; K607-E641 IonicContact NZ-OE2 3.83Å; K607-E641 PolarHBondContact NZ-OE2 3.23Å
608	S	93.6	Very high	92.5	Very high	65 Å²	65	40.5 Å²	40.5	46%	0.455	23%	0.229	S	C	.	.	H	α-helix	trans	-65.9	-38.6	-177.8	-62.1	0	0	0	0	113.3	C604 Q605 L606 A612	C604-S608 PolarHBondContact O-N 2.91Å; C604-S608 PolarHBondContact O-OG 3.34Å; Q605-S608 PolarHBondContact O-N 2.87Å; Q605-S608 VanDerWaalsContact O-N 3.09Å; L606-S608 PolarHBondContact O-N 2.85Å; S608-A612 WeakPolarHBondContact O-CB 3.41Å; S608-A612 PolarHBondContact O-N 3.01Å; S608-A612 VanDerWaalsContact O-N 3.07Å
609	E	93	Very high	92.3	Very high	74 Å²	74	42.6 Å²	42.6	35%	0.346	25%	0.246	S	C	.	.	H	α-helix	trans	-71.5	-43.9	-179.6	-70.1	170	156.1	0	0	111.2	L572 Q605 L606 A612 L613	L572-E609 HydrophobicContact CD1-CB 3.7Å; L572-E609 HydrophobicContact CD2-CB 4.15Å; L572-E609 HydrophobicContact CD2-CG 4.47Å; Q605-E609 WeakPolarHBondContact O-CB 3.3Å; Q605-E609 WeakPolarHBondContact O-CG 3.42Å; Q605-E609 PolarHBondContact O-N 3.2Å; L606-E609 PolarHBondContact O-N 2.93Å; E609-A612 PolarHBondContact O-N 3.1Å; E609-L613 WeakPolarHBondContact O-CG 3.42Å; E609-L613 PolarHBondContact O-N 3.04Å
610	L	91.1	Very high	92.1	Very high	7 Å²	7	46.8 Å²	46.8	4%	0.037	27%	0.265	C	S	.	.	H	α-helix	trans	-64.8	-41.6	172.6	-68	178.1	0	0	0	112.2	L572 L606 A612 L613 M614 I630 A633 L786	L572-L610 HydrophobicContact CD1-CD2 4.09Å; L572-L610 HydrophobicContact CD1-CG 4.43Å; L606-L610 HydrophobicContact CD1-CD1 3.94Å; L606-L610 HydrophobicContact CD1-CG 3.95Å; L606-L610 HydrophobicContact CG-CD1 3.89Å; L606-L610 HydrophobicContact CG-CG 4.26Å; L606-L610 WeakPolarHBondContact O-CB 3.35Å; L606-L610 VanDerWaalsContact O-CG 3.31Å; L606-L610 WeakPolarHBondContact O-CG 3.38Å; L606-L610 PolarHBondContact O-N 3.4Å; L610-A612 VanDerWaalsContact C-N 3.27Å; L610-A612 PolarHBondContact O-N 2.7Å; L610-L613 PolarHBondContact O-N 3.32Å; L610-M614 PolarHBondContact O-N 2.99Å; L610-I630 HydrophobicContact CD2-CG2 4.48Å; L610-A633 HydrophobicContact CD1-CB 4.04Å; L610-L786 HydrophobicContact CD1-CD2 4.4Å
611	Q	93.1	Very high	91.9	Very high	104 Å²	104	46.9 Å²	46.9	49%	0.486	27%	0.266	S	S	.	.	H	α-helix	trans	-63.2	-33.1	178.4	-171	169	18	0	0	112.2	K607 L613 M614 P634	K607-Q611 WeakPolarHBondContact O-CB 3.06Å; K607-Q611 PolarHBondContact O-N 3.31Å; Q611-L613 VanDerWaalsContact C-N 3.33Å; Q611-M614 HydrophobicContact CB-SD 4.43Å; Q611-M614 HydrophobicContact CG-SD 3.99Å; Q611-P634 HydrophobicContact CB-CB 4.4Å
612	A	92.9	Very high	91.8	Very high	79 Å²	79	49.1 Å²	49.1	65%	0.653	28%	0.278	S	S	*	.	H	α-helix	trans	-70	-28.3	173	0	0	0	0	0	113.2	S608 E609 L610	S608-A612 WeakPolarHBondContact O-CB 3.41Å; S608-A612 PolarHBondContact O-N 3.01Å; S608-A612 VanDerWaalsContact O-N 3.07Å; E609-A612 PolarHBondContact O-N 3.1Å; L610-A612 VanDerWaalsContact C-N 3.27Å; L610-A612 PolarHBondContact O-N 2.7Å
613	L	91.6	Very high	91.8	Very high	15 Å²	15	49 Å²	49	8%	0.079	28%	0.277	C	S	.	.	H	α-helix	trans	-82.2	-16.3	179.9	-69.4	170.1	0	0	0	113.9	Q568 I569 L572 E609 L610 Q611 P615 A616 V617	Q568-L613 HydrophobicContact CB-CD1 4.44Å; Q568-L613 HydrophobicContact CB-CD2 4.31Å; I569-L613 HydrophobicContact CG1-CD1 3.98Å; L572-L613 HydrophobicContact CD1-CD1 4.43Å; E609-L613 WeakPolarHBondContact O-CG 3.42Å; E609-L613 PolarHBondContact O-N 3.04Å; L610-L613 PolarHBondContact O-N 3.32Å; Q611-L613 VanDerWaalsContact C-N 3.33Å; L613-P615 VanDerWaalsContact C-CD 3.4Å; L613-P615 VanDerWaalsContact O-N 3.15Å; L613-A616 WeakPolarHBondContact O-CA 3.49Å; L613-A616 WeakPolarHBondContact O-CB 3.47Å; L613-A616 PolarHBondContact O-N 3.4Å; L613-V617 HydrophobicContact CB-CG2 4.25Å; L613-V617 WeakPolarHBondContact O-CG2 3.44Å; L613-V617 PolarHBondContact O-N 3.11Å
614	M	90.4	Very high	91.8	Very high	46 Å²	46	54.5 Å²	54.5	23%	0.227	31%	0.306	C	S	.	.	H	α-helix	trans	-47.6	-43.3	-175.3	-65.9	176.7	78.6	0	0	115.4	L610 Q611 A616 V617 N618 V631 P634	L610-M614 PolarHBondContact O-N 2.99Å; Q611-M614 HydrophobicContact CB-SD 4.43Å; Q611-M614 HydrophobicContact CG-SD 3.99Å; M614-A616 VanDerWaalsContact C-N 3.28Å; M614-A616 PolarHBondContact O-N 3.35Å; M614-V617 PolarHBondContact O-N 2.91Å; M614-N618 WeakPolarHBondContact O-CB 3.3Å; M614-N618 VanDerWaalsContact O-CG 3.31Å; M614-N618 PolarHBondContact O-N 2.93Å; M614-N618 PolarHBondContact O-ND2 3.27Å; M614-V631 HydrophobicContact CE-CG1 4.3Å; M614-P634 HydrophobicContact SD-CG 4.38Å
615	P	90.8	Very high	91.8	Very high	95 Å²	95	55.6 Å²	55.6	62%	0.617	31%	0.311	S	S	*	.	H	α-helix	trans	-64.9	-33.1	179.2	-20.5	33.8	0	0	0	113	L613 S619	L613-P615 VanDerWaalsContact C-CD 3.4Å; L613-P615 VanDerWaalsContact O-N 3.15Å; P615-S619 PolarHBondContact O-OG 3.32Å
616	A	90.3	Very high	91.8	Very high	28 Å²	28	51.9 Å²	51.9	23%	0.231	29%	0.294	C	S	.	.	H	α-helix	trans	-80.1	-37.8	178.7	0	0	0	0	0	111.3	V565 L613 M614 S619 H620	V565-A616 HydrophobicContact CG2-CB 3.4Å; L613-A616 WeakPolarHBondContact O-CA 3.49Å; L613-A616 WeakPolarHBondContact O-CB 3.47Å; L613-A616 PolarHBondContact O-N 3.4Å; M614-A616 VanDerWaalsContact C-N 3.28Å; M614-A616 PolarHBondContact O-N 3.35Å; A616-S619 WeakPolarHBondContact CA-OG 3.42Å; A616-S619 PolarHBondContact O-N 3.44Å; A616-S619 PolarHBondContact O-OG 2.88Å; A616-S619 VanDerWaalsContact O-OG 3.1Å; A616-H620 WeakPolarHBondContact O-CB 3.29Å; A616-H620 PolarHBondContact O-N 3.42Å; A616-H620 PolarHBondContact O-ND1 2.85Å
617	V	89.8	Confident	91.9	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-58.2	-51.6	171.9	171.7	0	0	0	0	110.7	V565 L613 M614 S619 H620 V621 R627 I630 V631	V565-V617 HydrophobicContact CG1-CG2 3.95Å; L613-V617 HydrophobicContact CB-CG2 4.25Å; L613-V617 WeakPolarHBondContact O-CG2 3.44Å; L613-V617 PolarHBondContact O-N 3.11Å; M614-V617 PolarHBondContact O-N 2.91Å; V617-S619 PolarHBondContact O-N 2.96Å; V617-S619 VanDerWaalsContact O-N 3.11Å; V617-H620 PolarHBondContact O-N 2.94Å; V617-V621 HydrophobicContact CB-CG2 4.43Å; V617-V621 HydrophobicContact CG1-CB 4.36Å; V617-V621 HydrophobicContact CG1-CG2 4.08Å; V617-V621 WeakPolarHBondContact O-CB 2.98Å; V617-V621 PolarHBondContact O-N 2.98Å; V617-R627 HydrophobicContact CG1-CG 4.48Å; V617-I630 HydrophobicContact CB-CG2 4.46Å; V617-I630 HydrophobicContact CG1-CB 4.26Å; V617-I630 HydrophobicContact CG1-CG2 3.93Å; V617-I630 HydrophobicContact CG2-CG2 3.75Å; V617-V631 HydrophobicContact CG1-CG2 4.34Å
618	N	89.6	Confident	91.8	Very high	96 Å²	96	57.2 Å²	57.2	51%	0.513	33%	0.325	S	S	.	.	H	α-helix	trans	-65.7	-13	-178.5	-72.2	-17.4	0	0	0	114.7	M614	M614-N618 WeakPolarHBondContact O-CB 3.3Å; M614-N618 VanDerWaalsContact O-CG 3.31Å; M614-N618 PolarHBondContact O-N 2.93Å; M614-N618 PolarHBondContact O-ND2 3.27Å
619	S	89.3	Confident	91.9	Very high	70 Å²	70	55.1 Å²	55.1	49%	0.49	31%	0.309	S	S	.	.	H	α-helix	trans	-109	-25.6	179.7	46.4	0	0	0	0	114	P615 A616 V617	P615-S619 PolarHBondContact O-OG 3.32Å; A616-S619 WeakPolarHBondContact CA-OG 3.42Å; A616-S619 PolarHBondContact O-N 3.44Å; A616-S619 PolarHBondContact O-OG 2.88Å; A616-S619 VanDerWaalsContact O-OG 3.1Å; V617-S619 PolarHBondContact O-N 2.96Å; V617-S619 VanDerWaalsContact O-N 3.11Å
620	H	89.6	Confident	91.9	Very high	88 Å²	88	52.1 Å²	52.1	41%	0.407	30%	0.295	S	S	.	.	H	α-helix	trans	-112	-29.7	-174.1	-60.6	75	0	0	0	114	S563 A616 V617 Q622	S563-H620 PolarHBondContact OG-CD2 3.49Å; A616-H620 WeakPolarHBondContact O-CB 3.29Å; A616-H620 PolarHBondContact O-N 3.42Å; A616-H620 PolarHBondContact O-ND1 2.85Å; V617-H620 PolarHBondContact O-N 2.94Å; H620-Q622 PolarHBondContact O-N 2.75Å; H620-Q622 PolarHBondContact O-NE2 2.94Å
621	V	90.5	Very high	92	Very high	3 Å²	3	53.5 Å²	53.5	2%	0.018	30%	0.304	C	S	.	.			trans	-85.1	105.2	-175.9	-177.3	0	0	0	0	110.2	F566 V617 L626 R627	F566-V621 HydrophobicContact CE1-CG2 4.17Å; F566-V621 HydrophobicContact CE2-CG2 4.48Å; F566-V621 HydrophobicContact CZ-CB 4.48Å; F566-V621 HydrophobicContact CZ-CG1 4.35Å; F566-V621 HydrophobicContact CZ-CG2 3.81Å; V617-V621 HydrophobicContact CB-CG2 4.43Å; V617-V621 HydrophobicContact CG1-CB 4.36Å; V617-V621 HydrophobicContact CG1-CG2 4.08Å; V617-V621 WeakPolarHBondContact O-CB 2.98Å; V617-V621 PolarHBondContact O-N 2.98Å; V621-L626 HydrophobicContact CG1-CB 3.72Å; V621-R627 HydrophobicContact CG1-CB 4.12Å; V621-R627 PolarHBondContact O-NH1 3.14Å
622	Q	91.3	Very high	92	Very high	132 Å²	132	52.5 Å²	52.5	62%	0.617	30%	0.299	S	S	*	.			trans	-80.1	-34.5	-177.8	-55.7	-51.8	-53.8	0	0	111.8	D557 H620 D624 R627	D557-Q622 PolarHBondContact OD2-N 2.92Å; H620-Q622 PolarHBondContact O-N 2.75Å; H620-Q622 PolarHBondContact O-NE2 2.94Å; Q622-D624 PolarHBondContact O-N 2.9Å; Q622-R627 PolarHBondContact O-NH1 3.35Å
623	S	93.8	Very high	92	Very high	11 Å²	11	48.8 Å²	48.8	8%	0.077	27%	0.269	C	S	.	.			trans	-62.9	116.9	-179.9	178.6	0	0	0	0	111.9	A554 D557 L625 L626 R627	A554-S623 WeakPolarHBondContact CA-OG 3.36Å; A554-S623 WeakPolarHBondContact CB-OG 3.42Å; D557-S623 WeakPolarHBondContact OD2-CB 3.36Å; D557-S623 PolarHBondContact OD2-N 2.85Å; S623-L625 PolarHBondContact O-N 3.01Å; S623-L626 PolarHBondContact O-N 3.12Å; S623-R627 WeakPolarHBondContact O-CB 3.37Å; S623-R627 PolarHBondContact O-N 3.12Å
624	D	93.4	Very high	92.1	Very high	116 Å²	116	48.5 Å²	48.5	62%	0.62	27%	0.268	S	S	*	.	H	α-helix	trans	-54.2	-40.4	175.9	-69	-9.3	0	0	0	112.1	Q622 R627 A628	Q622-D624 PolarHBondContact O-N 2.9Å; D624-R627 IonicContact OD1-CZ 3.56Å; D624-R627 IonicContact OD1-NH1 2.7Å; D624-R627 IonicContact OD1-NH2 3.53Å; D624-R627 PolarHBondContact OD1-NH2 3.02Å; D624-A628 VanDerWaalsContact O-CB 3.3Å; D624-A628 WeakPolarHBondContact O-CB 3.21Å; D624-A628 PolarHBondContact O-N 2.79Å
625	L	93.8	Very high	92.3	Very high	38 Å²	38	52.4 Å²	52.4	20%	0.199	29%	0.285	C	S	.	.	H	α-helix	trans	-61.7	-52.7	179.3	177.6	61.5	0	0	0	111.3	A550 R551 A554 S623 L629	A550-L625 HydrophobicContact CB-CD2 4.4Å; R551-L625 HydrophobicContact CG-CD2 4.24Å; A554-L625 HydrophobicContact CB-CD2 4.32Å; S623-L625 PolarHBondContact O-N 3.01Å; L625-L629 HydrophobicContact CD1-CD1 3.79Å; L625-L629 HydrophobicContact CD1-CG 4.43Å; L625-L629 HydrophobicContact CG-CD1 4.08Å; L625-L629 WeakPolarHBondContact O-CD1 3.28Å; L625-L629 WeakPolarHBondContact O-CG 3.35Å; L625-L629 PolarHBondContact O-N 3.46Å
626	L	93.1	Very high	92.4	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-67.2	-42.7	179.3	-69.2	173.8	0	0	0	111.6	A554 V558 F566 V621 S623 A628 L629 I630 V789 I792	A554-L626 HydrophobicContact CB-CD1 3.85Å; A554-L626 HydrophobicContact CB-CD2 4.49Å; A554-L626 HydrophobicContact CB-CG 3.82Å; V558-L626 HydrophobicContact CG2-CD1 3.8Å; F566-L626 HydrophobicContact CE1-CD1 4.16Å; V621-L626 HydrophobicContact CG1-CB 3.72Å; S623-L626 PolarHBondContact O-N 3.12Å; L626-A628 PolarHBondContact O-N 3.14Å; L626-L629 PolarHBondContact O-N 3.16Å; L626-I630 HydrophobicContact CB-CD1 4.2Å; L626-I630 WeakPolarHBondContact O-CB 3.28Å; L626-I630 WeakPolarHBondContact O-CD1 3.46Å; L626-I630 WeakPolarHBondContact O-CG1 3.34Å; L626-I630 PolarHBondContact O-N 3.1Å; L626-V789 HydrophobicContact CD2-CG2 4.24Å; L626-I792 HydrophobicContact CD1-CG2 4.27Å; L626-I792 HydrophobicContact CD2-CB 4.24Å; L626-I792 HydrophobicContact CD2-CG1 4.26Å; L626-I792 HydrophobicContact CD2-CG2 4.17Å
627	R	93.7	Very high	92.7	Very high	76 Å²	76	47.6 Å²	47.6	29%	0.287	25%	0.25	S	S	.	.	H	α-helix	trans	-62.3	-43.4	-178.4	-170.2	170.6	63.4	-100.1	-4.9	111.7	V617 V621 Q622 S623 D624 V631	V617-R627 HydrophobicContact CG1-CG 4.48Å; V621-R627 HydrophobicContact CG1-CB 4.12Å; V621-R627 PolarHBondContact O-NH1 3.14Å; Q622-R627 PolarHBondContact O-NH1 3.35Å; S623-R627 WeakPolarHBondContact O-CB 3.37Å; S623-R627 PolarHBondContact O-N 3.12Å; D624-R627 IonicContact OD1-CZ 3.56Å; D624-R627 IonicContact OD1-NH1 2.7Å; D624-R627 IonicContact OD1-NH2 3.53Å; D624-R627 PolarHBondContact OD1-NH2 3.02Å; R627-V631 WeakPolarHBondContact O-CB 3.45Å; R627-V631 WeakPolarHBondContact O-CG2 3.45Å; R627-V631 PolarHBondContact O-N 2.93Å; R627-V631 VanDerWaalsContact O-N 3.17Å
628	A	94.1	Very high	92.8	Very high	57 Å²	57	50.5 Å²	50.5	47%	0.471	27%	0.271	S	S	.	.	H	α-helix	trans	-61.2	-53.1	175.6	0	0	0	0	0	111.9	D624 L626 I630 V631 E632	D624-A628 VanDerWaalsContact O-CB 3.3Å; D624-A628 WeakPolarHBondContact O-CB 3.21Å; D624-A628 PolarHBondContact O-N 2.79Å; L626-A628 PolarHBondContact O-N 3.14Å; A628-I630 VanDerWaalsContact C-N 3.35Å; A628-I630 PolarHBondContact O-N 3.34Å; A628-V631 PolarHBondContact O-N 3.15Å; A628-E632 PolarHBondContact O-N 3.02Å
629	L	93.9	Very high	93	Very high	21 Å²	21	47.4 Å²	47.4	11%	0.11	26%	0.256	C	S	.	.	H	α-helix	trans	-61.6	-38.9	-176.3	-66.9	168.4	0	0	0	113.2	L625 L626 A633 H785 T788 V789	L625-L629 HydrophobicContact CD1-CD1 3.79Å; L625-L629 HydrophobicContact CD1-CG 4.43Å; L625-L629 HydrophobicContact CG-CD1 4.08Å; L625-L629 WeakPolarHBondContact O-CD1 3.28Å; L625-L629 WeakPolarHBondContact O-CG 3.35Å; L625-L629 PolarHBondContact O-N 3.46Å; L626-L629 PolarHBondContact O-N 3.16Å; L629-A633 WeakPolarHBondContact O-CB 3.48Å; L629-A633 PolarHBondContact O-N 3.35Å; L629-H785 HydrophobicContact CB-CB 4.27Å; L629-H785 HydrophobicContact CD2-CB 3.9Å; L629-H785 WeakPolarHBondContact CD2-ND1 3.48Å; L629-T788 HydrophobicContact CD1-CG2 3.45Å; L629-T788 VanDerWaalsContact CD1-CG2 3.45Å; L629-V789 HydrophobicContact CB-CG2 4.44Å
630	I	93.1	Very high	93.2	Very high	11 Å²	11	44.1 Å²	44.1	6%	0.056	23%	0.233	C	C	.	.	H	α-helix	trans	-75.1	-30.2	-179.3	-63.8	163.3	0	0	0	111.5	I569 L610 V617 L626 A628 P634 V789	I569-I630 HydrophobicContact CD1-CD1 3.96Å; L610-I630 HydrophobicContact CD2-CG2 4.48Å; V617-I630 HydrophobicContact CB-CG2 4.46Å; V617-I630 HydrophobicContact CG1-CB 4.26Å; V617-I630 HydrophobicContact CG1-CG2 3.93Å; V617-I630 HydrophobicContact CG2-CG2 3.75Å; L626-I630 HydrophobicContact CB-CD1 4.2Å; L626-I630 WeakPolarHBondContact O-CB 3.28Å; L626-I630 WeakPolarHBondContact O-CD1 3.46Å; L626-I630 WeakPolarHBondContact O-CG1 3.34Å; L626-I630 PolarHBondContact O-N 3.1Å; A628-I630 VanDerWaalsContact C-N 3.35Å; A628-I630 PolarHBondContact O-N 3.34Å; I630-P634 WeakPolarHBondContact O-CD 3.24Å; I630-V789 HydrophobicContact CG1-CG2 4.13Å
631	V	93.2	Very high	93.4	Very high	37 Å²	37	42.9 Å²	42.9	22%	0.224	23%	0.228	C	C	.	.	H	α-helix	trans	-80.9	-38.3	177.7	171.1	0	0	0	0	112.3	M614 V617 R627 A628 P634	M614-V631 HydrophobicContact CE-CG1 4.3Å; V617-V631 HydrophobicContact CG1-CG2 4.34Å; R627-V631 WeakPolarHBondContact O-CB 3.45Å; R627-V631 WeakPolarHBondContact O-CG2 3.45Å; R627-V631 PolarHBondContact O-N 2.93Å; R627-V631 VanDerWaalsContact O-N 3.17Å; A628-V631 PolarHBondContact O-N 3.15Å; V631-P634 VanDerWaalsContact O-CD 3.31Å; V631-P634 WeakPolarHBondContact O-CD 3.39Å; V631-P634 WeakPolarHBondContact O-CG 3.35Å
632	E	94.9	Very high	93.4	Very high	82 Å²	82	48.6 Å²	48.6	38%	0.383	25%	0.254	S	S	.	.	H	α-helix	trans	-70.7	-34.7	178.2	-170.5	176	164.1	0	0	112.2	A628 E635 L636 H785	A628-E632 PolarHBondContact O-N 3.02Å; E632-E635 WeakPolarHBondContact O-CB 3.24Å; E632-E635 PolarHBondContact O-N 3.42Å; E632-E635 VanDerWaalsContact O-N 3.1Å; E632-L636 HydrophobicContact CG-CD1 3.85Å; E632-L636 HydrophobicContact CG-CG 3.96Å; E632-L636 WeakPolarHBondContact O-CG 3.42Å; E632-L636 PolarHBondContact O-N 3.23Å; E632-L636 VanDerWaalsContact O-N 3.09Å; E632-H785 IonicContact OE1-NE2 2.79Å; E632-H785 IonicContact OE2-NE2 3.99Å
633	A	93	Very high	93.5	Very high	2 Å²	2	43.4 Å²	43.4	2%	0.017	23%	0.229	C	C	.	.	H	α-helix	trans	-51.8	-52.1	-177.9	0	0	0	0	0	115.7	L610 L629 E635 L636 L637	L610-A633 HydrophobicContact CD1-CB 4.04Å; L629-A633 WeakPolarHBondContact O-CB 3.48Å; L629-A633 PolarHBondContact O-N 3.35Å; A633-E635 VanDerWaalsContact C-N 3.26Å; A633-E635 PolarHBondContact O-N 3.44Å; A633-L636 PolarHBondContact O-N 3.21Å; A633-L637 VanDerWaalsContact O-CG 3.28Å; A633-L637 WeakPolarHBondContact O-CG 3.43Å; A633-L637 PolarHBondContact O-N 2.89Å; A633-L637 VanDerWaalsContact O-N 3.09Å
634	P	93.3	Very high	93.4	Very high	8 Å²	8	44.7 Å²	44.7	5%	0.052	23%	0.234	C	C	.	.	H	α-helix	trans	-65.3	-25.1	178.4	25.6	-35.6	0	0	0	114	Q611 M614 I630 V631 S638	Q611-P634 HydrophobicContact CB-CB 4.4Å; M614-P634 HydrophobicContact SD-CG 4.38Å; I630-P634 WeakPolarHBondContact O-CD 3.24Å; V631-P634 VanDerWaalsContact O-CD 3.31Å; V631-P634 WeakPolarHBondContact O-CD 3.39Å; V631-P634 WeakPolarHBondContact O-CG 3.35Å; P634-S638 PolarHBondContact O-N 2.9Å
635	E	93.4	Very high	93.3	Very high	128 Å²	128	45.5 Å²	45.5	60%	0.598	23%	0.233	S	C	*	.	H	α-helix	trans	-73	-46.8	175.9	-57.4	-168.3	162	0	0	110.9	E632 A633 L637 S638	E632-E635 WeakPolarHBondContact O-CB 3.24Å; E632-E635 PolarHBondContact O-N 3.42Å; E632-E635 VanDerWaalsContact O-N 3.1Å; A633-E635 VanDerWaalsContact C-N 3.26Å; A633-E635 PolarHBondContact O-N 3.44Å; E635-L637 VanDerWaalsContact C-N 3.25Å; E635-L637 PolarHBondContact O-N 3.32Å; E635-S638 WeakPolarHBondContact O-CB 3.28Å; E635-S638 PolarHBondContact O-N 2.96Å; E635-S638 PolarHBondContact O-OG 3.42Å
636	L	94.4	Very high	93.2	Very high	22 Å²	22	45.4 Å²	45.4	12%	0.115	23%	0.233	C	C	.	.	H	α-helix	trans	-60.4	-33.5	174.4	-65.1	173.5	0	0	0	112.7	E632 A633 S638 T778 K781 A782	E632-L636 HydrophobicContact CG-CD1 3.85Å; E632-L636 HydrophobicContact CG-CG 3.96Å; E632-L636 WeakPolarHBondContact O-CG 3.42Å; E632-L636 PolarHBondContact O-N 3.23Å; E632-L636 VanDerWaalsContact O-N 3.09Å; A633-L636 PolarHBondContact O-N 3.21Å; L636-S638 VanDerWaalsContact C-N 3.27Å; L636-S638 PolarHBondContact O-N 3.25Å; L636-T778 HydrophobicContact CB-CG2 4.14Å; L636-T778 HydrophobicContact CD2-CG2 3.59Å; L636-T778 HydrophobicContact CG-CG2 4.49Å; L636-K781 HydrophobicContact CD1-CB 3.83Å; L636-A782 HydrophobicContact CB-CB 3.88Å; L636-A782 HydrophobicContact CD1-CB 4.15Å
637	L	94.7	Very high	93.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	1	176.9	-64.9	179.8	0	0	0	114.1	L603 L606 K607 A633 E635 V640 L779 A782	L603-L637 HydrophobicContact CB-CD2 4.39Å; L603-L637 HydrophobicContact CD1-CD2 4.34Å; L603-L637 HydrophobicContact CD2-CD1 4.36Å; L603-L637 HydrophobicContact CD2-CD2 3.65Å; L603-L637 HydrophobicContact CG-CD2 4.35Å; L606-L637 HydrophobicContact CD2-CD1 4.07Å; L606-L637 HydrophobicContact CG-CD1 4.31Å; K607-L637 HydrophobicContact CB-CB 4.04Å; K607-L637 HydrophobicContact CB-CD1 4.45Å; K607-L637 HydrophobicContact CG-CB 4.29Å; A633-L637 VanDerWaalsContact O-CG 3.28Å; A633-L637 WeakPolarHBondContact O-CG 3.43Å; A633-L637 PolarHBondContact O-N 2.89Å; A633-L637 VanDerWaalsContact O-N 3.09Å; E635-L637 VanDerWaalsContact C-N 3.25Å; E635-L637 PolarHBondContact O-N 3.32Å; L637-V640 WeakPolarHBondContact O-CG2 3.18Å; L637-V640 PolarHBondContact O-N 2.93Å; L637-L779 HydrophobicContact CD2-CD2 3.82Å; L637-A782 HydrophobicContact CD2-CB 3.63Å; L637-A782 HydrophobicContact CG-CB 3.86Å
638	S	92.9	Very high	93.1	Very high	62 Å²	62	44.1 Å²	44.1	43%	0.434	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-38.6	-176	59.4	0	0	0	0	116.3	K607 P634 E635 L636 V640	K607-S638 PolarHBondContact NZ-O 3.33Å; P634-S638 PolarHBondContact O-N 2.9Å; E635-S638 WeakPolarHBondContact O-CB 3.28Å; E635-S638 PolarHBondContact O-N 2.96Å; E635-S638 PolarHBondContact O-OG 3.42Å; L636-S638 VanDerWaalsContact C-N 3.27Å; L636-S638 PolarHBondContact O-N 3.25Å; S638-V640 VanDerWaalsContact C-N 3.34Å; S638-V640 PolarHBondContact O-N 2.94Å
639	P	94.1	Very high	92.9	Very high	31 Å²	31	42 Å²	42	20%	0.201	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-28	-174.8	-19.8	33.6	0	0	0	114.3	E641 H642 Y643	P639-E641 PolarHBondContact O-N 2.9Å; P639-E641 VanDerWaalsContact O-N 3.08Å; P639-H642 PolarHBondContact O-N 3.3Å; P639-H642 VanDerWaalsContact O-N 3.09Å; P639-Y643 WeakPolarHBondContact O-CD2 3.39Å
640	V	93.6	Very high	92.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-55.6	-33.9	-170.2	-177.8	0	0	0	0	112.6	V600 L603 C604 L637 S638 H642 Y643 L644 L779	V600-V640 HydrophobicContact CB-CG1 4.25Å; V600-V640 HydrophobicContact CG1-CG1 3.74Å; V600-V640 WeakPolarHBondContact O-CG1 3.43Å; L603-V640 HydrophobicContact CB-CG1 3.78Å; L603-V640 HydrophobicContact CB-CG2 4.17Å; L603-V640 HydrophobicContact CD1-CG2 4.3Å; C604-V640 HydrophobicContact CB-CG1 4.07Å; L637-V640 WeakPolarHBondContact O-CG2 3.18Å; L637-V640 PolarHBondContact O-N 2.93Å; S638-V640 VanDerWaalsContact C-N 3.34Å; S638-V640 PolarHBondContact O-N 2.94Å; V640-H642 VanDerWaalsContact C-N 3.33Å; V640-H642 PolarHBondContact O-N 3.46Å; V640-Y643 PolarHBondContact O-N 2.95Å; V640-L644 PolarHBondContact O-N 2.98Å; V640-L644 VanDerWaalsContact O-N 3.15Å; V640-L779 HydrophobicContact CG2-CD1 4.33Å; V640-L779 HydrophobicContact CG2-CD2 3.56Å
641	E	92.6	Very high	92.8	Very high	63 Å²	63	45.3 Å²	45.3	29%	0.294	24%	0.24	S	C	.	.	H	α-helix	trans	-64.8	-32	-177.5	-171.1	-174.9	152.7	0	0	113.4	K607 P639 K645	K607-E641 IonicContact NZ-OE2 3.83Å; K607-E641 PolarHBondContact NZ-OE2 3.23Å; P639-E641 PolarHBondContact O-N 2.9Å; P639-E641 VanDerWaalsContact O-N 3.08Å; E641-K645 HydrophobicContact CG-CD 4.49Å; E641-K645 WeakPolarHBondContact O-CG 3.41Å; E641-K645 PolarHBondContact O-N 2.7Å; E641-K645 WeakPolarHBondContact OE1-CE 3.4Å; E641-K645 IonicContact OE1-NZ 3.19Å; E641-K645 PolarHBondContact OE1-NZ 2.74Å
642	H	92	Very high	92.7	Very high	122 Å²	122	43.6 Å²	43.6	57%	0.565	23%	0.23	S	C	*	.	H	α-helix	trans	-64.6	-55.1	176.1	172.5	82	0	0	0	110.4	P639 V640 L644 K645 V646	P639-H642 PolarHBondContact O-N 3.3Å; P639-H642 VanDerWaalsContact O-N 3.09Å; V640-H642 VanDerWaalsContact C-N 3.33Å; V640-H642 PolarHBondContact O-N 3.46Å; H642-L644 VanDerWaalsContact C-N 3.28Å; H642-L644 PolarHBondContact O-N 2.93Å; H642-K645 PolarHBondContact O-N 3.03Å; H642-K645 VanDerWaalsContact O-N 3.07Å; H642-V646 PolarHBondContact O-N 2.7Å
643	Y	91.9	Very high	92.5	Very high	23 Å²	23	46.2 Å²	46.2	9%	0.09	24%	0.24	C	C	.	.	H	α-helix	trans	-59.9	-35.6	-178.9	-64.8	-89.9	0	0	0	112.5	P639 V640 L647 F768 N771 F772 H775	P639-Y643 WeakPolarHBondContact O-CD2 3.39Å; V640-Y643 PolarHBondContact O-N 2.95Å; Y643-L647 WeakPolarHBondContact O-CG 3.28Å; Y643-F768 HydrophobicContact CD1-CD2 4.48Å; Y643-F768 HydrophobicContact CD1-CE1 4.45Å; Y643-F768 AromaticContact CD1-CE2 3.75Å; Y643-F768 HydrophobicContact CD1-CE2 3.75Å; Y643-F768 AromaticContact CD1-CZ 3.74Å; Y643-F768 HydrophobicContact CD1-CZ 3.74Å; Y643-F768 HydrophobicContact CE1-CE2 4.38Å; Y643-N771 PolarHBondContact OH-O 2.79Å; Y643-F772 HydrophobicContact CD1-CB 4.23Å; Y643-F772 AromaticContact CD1-CD2 3.87Å; Y643-F772 HydrophobicContact CD1-CD2 3.87Å; Y643-F772 AromaticContact CD2-CD2 3.76Å; Y643-F772 HydrophobicContact CD2-CD2 3.76Å; Y643-F772 HydrophobicContact CD2-CE2 4.25Å; Y643-F772 HydrophobicContact CE1-CB 3.86Å; Y643-F772 HydrophobicContact CE1-CD2 4.1Å; Y643-F772 HydrophobicContact CE2-CD2 4.01Å; Y643-F772 AromaticContact CG-CD2 3.7Å; Y643-F772 HydrophobicContact CG-CD2 3.7Å; Y643-F772 HydrophobicContact CG-CE2 4.33Å; Y643-H775 AromaticContact CE2-CD2 3.64Å; Y643-H775 AromaticContact CE2-NE2 3.65Å; Y643-H775 AromaticContact CZ-NE2 3.91Å; Y643-H775 PolarHBondContact OH-NE2 3.48Å
644	L	92.9	Very high	92.3	Very high	38 Å²	38	51.4 Å²	51.4	20%	0.199	27%	0.271	C	S	.	.	H	α-helix	trans	-66.7	-35.5	176.3	-169.7	59.1	0	0	0	113.2	F597 V600 K601 C604 V640 H642	F597-L644 HydrophobicContact CD2-CD1 4.1Å; F597-L644 HydrophobicContact CE2-CD1 3.69Å; F597-L644 HydrophobicContact CZ-CD1 4.31Å; V600-L644 HydrophobicContact CG1-CB 3.84Å; V600-L644 HydrophobicContact CG1-CD1 4.18Å; K601-L644 HydrophobicContact CB-CD1 4.22Å; C604-L644 HydrophobicContact CB-CD2 3.57Å; V640-L644 PolarHBondContact O-N 2.98Å; V640-L644 VanDerWaalsContact O-N 3.15Å; H642-L644 VanDerWaalsContact C-N 3.28Å; H642-L644 PolarHBondContact O-N 2.93Å
645	K	91.2	Very high	92.2	Very high	134 Å²	134	52.7 Å²	52.7	58%	0.583	29%	0.286	S	S	*	.	H	α-helix	trans	-68.8	-36.5	-178	-75.7	170	-177.1	170.9	0	112.4	E641 H642 L647 K662	E641-K645 HydrophobicContact CG-CD 4.49Å; E641-K645 WeakPolarHBondContact O-CG 3.41Å; E641-K645 PolarHBondContact O-N 2.7Å; E641-K645 WeakPolarHBondContact OE1-CE 3.4Å; E641-K645 IonicContact OE1-NZ 3.19Å; E641-K645 PolarHBondContact OE1-NZ 2.74Å; H642-K645 PolarHBondContact O-N 3.03Å; H642-K645 VanDerWaalsContact O-N 3.07Å; K645-L647 VanDerWaalsContact C-N 3.34Å; K645-L647 PolarHBondContact O-N 3.26Å; K645-K662 PolarHBondContact O-NZ 3.14Å
646	V	91.3	Very high	92.1	Very high	35 Å²	35	49.4 Å²	49.4	21%	0.212	27%	0.272	C	S	.	.	H	α-helix	trans	-67.3	-32.7	179.9	-178.5	0	0	0	0	112.4	H642 F661 K662	H642-V646 PolarHBondContact O-N 2.7Å; V646-F661 HydrophobicContact CG1-CD1 4.08Å; V646-K662 WeakPolarHBondContact O-CB 3.49Å; V646-K662 WeakPolarHBondContact O-CG 3.27Å; V646-K662 PolarHBondContact O-N 3.4Å
647	L	91.8	Very high	92	Very high	3 Å²	3	50 Å²	50	2%	0.016	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-83.6	137.7	-169.9	-66.4	177.4	0	0	0	115.4	F596 F597 Y643 K645 G649 L660 F661 K662 F768	F596-L647 HydrophobicContact CD1-CD1 3.69Å; F596-L647 HydrophobicContact CE1-CD1 3.52Å; F597-L647 HydrophobicContact CD2-CB 4.48Å; Y643-L647 WeakPolarHBondContact O-CG 3.28Å; K645-L647 VanDerWaalsContact C-N 3.34Å; K645-L647 PolarHBondContact O-N 3.26Å; L647-G649 PolarHBondContact O-N 3.17Å; L647-L660 HydrophobicContact CD2-CD1 3.94Å; L647-L660 HydrophobicContact CD2-CD2 4.24Å; L647-L660 HydrophobicContact CD2-CG 3.75Å; L647-F661 HydrophobicContact CD2-CD1 4.27Å; L647-F661 HydrophobicContact CD2-CE1 4.2Å; L647-K662 VanDerWaalsContact O-CE 3.29Å; L647-K662 WeakPolarHBondContact O-CE 3.39Å; L647-K662 PolarHBondContact O-NZ 3.45Å; L647-F768 HydrophobicContact CD1-CE1 4.22Å; L647-F768 HydrophobicContact CD1-CZ 4.19Å; L647-F768 HydrophobicContact CD2-CE1 4.03Å; L647-F768 HydrophobicContact CD2-CZ 3.91Å; L647-F768 HydrophobicContact CG-CE1 4.42Å; L647-F768 HydrophobicContact CG-CZ 4.06Å
648	N	93.4	Very high	91.9	Very high	47 Å²	47	51.2 Å²	51.2	25%	0.251	28%	0.281	S	S	.	.			trans	-84	98.4	175.6	-172.5	14.8	0	0	0	111.1	P650 A651 A652 E659 L660 K662	N648-P650 WeakPolarHBondContact OD1-CD 3.44Å; N648-A651 HydrophobicContact CB-CB 4.2Å; N648-A651 PolarHBondContact O-N 2.94Å; N648-A651 VanDerWaalsContact O-N 3.08Å; N648-A652 WeakPolarHBondContact O-CB 3.32Å; N648-A652 PolarHBondContact O-N 3.41Å; N648-E659 VanDerWaalsContact CB-O 3.24Å; N648-E659 WeakPolarHBondContact CB-O 3.39Å; N648-E659 PolarHBondContact ND2-O 3.13Å; N648-L660 VanDerWaalsContact CB-O 3.28Å; N648-L660 WeakPolarHBondContact CB-O 3.28Å; N648-L660 PolarHBondContact N-O 3.09Å; N648-K662 HydrophobicContact CB-CG 4.04Å
649	G	89.3	Confident	91.9	Very high	13 Å²	13	52.3 Å²	52.3	13%	0.134	28%	0.28	C	S	.	.	H	α-helix	trans	-51.7	-44.6	-173.5	0	0	0	0	0	116.1	L647 K653	L647-G649 PolarHBondContact O-N 3.17Å; G649-K653 WeakPolarHBondContact O-CB 3.19Å; G649-K653 VanDerWaalsContact O-CG 3.27Å; G649-K653 WeakPolarHBondContact O-CG 3.18Å; G649-K653 PolarHBondContact O-N 3.07Å; G649-K653 VanDerWaalsContact O-N 3.07Å
650	P	91.9	Very high	91.8	Very high	94 Å²	94	50.9 Å²	50.9	61%	0.61	27%	0.27	S	S	*	.	H	α-helix	trans	-56.4	-49.1	171.8	-29.7	36.3	0	0	0	114.3	N648 K653 V654	N648-P650 WeakPolarHBondContact OD1-CD 3.44Å; P650-K653 PolarHBondContact O-N 2.7Å; P650-V654 WeakPolarHBondContact O-CG2 3.37Å; P650-V654 PolarHBondContact O-N 2.92Å
651	A	92.5	Very high	91.7	Very high	8 Å²	8	51.2 Å²	51.2	7%	0.066	27%	0.272	C	S	.	.	H	α-helix	trans	-66.8	-43.9	180	0	0	0	0	0	111.7	N648 K653 V654 G655 D656 E659	N648-A651 HydrophobicContact CB-CB 4.2Å; N648-A651 PolarHBondContact O-N 2.94Å; N648-A651 VanDerWaalsContact O-N 3.08Å; A651-K653 VanDerWaalsContact C-N 3.28Å; A651-K653 PolarHBondContact O-N 2.98Å; A651-V654 PolarHBondContact O-N 2.86Å; A651-G655 PolarHBondContact O-N 2.61Å; A651-D656 HydrophobicContact CB-CB 4.37Å; A651-D656 PolarHBondContact O-N 2.66Å; A651-D656 VanDerWaalsContact O-N 3.12Å; A651-E659 HydrophobicContact CB-CB 4.06Å; A651-E659 WeakPolarHBondContact CB-O 3.4Å
652	A	91.9	Very high	91.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-55.8	-41.5	176	0	0	0	0	0	112.5	T593 Q594 F597 N648 G655 L660	T593-A652 CarbonylContact C-O 3.57Å; T593-A652 PolarHBondContact OG1-O 2.87Å; Q594-A652 WeakPolarHBondContact CA-O 3.31Å; Q594-A652 VanDerWaalsContact CG-O 3.25Å; Q594-A652 WeakPolarHBondContact CG-O 3.35Å; Q594-A652 PolarHBondContact N-O 2.77Å; F597-A652 HydrophobicContact CB-CB 3.86Å; F597-A652 HydrophobicContact CD2-CB 3.98Å; F597-A652 HydrophobicContact CG-CB 3.93Å; N648-A652 WeakPolarHBondContact O-CB 3.32Å; N648-A652 PolarHBondContact O-N 3.41Å; A652-G655 PolarHBondContact O-N 2.8Å; A652-L660 HydrophobicContact CB-CD1 3.62Å
653	K	89.8	Confident	91.2	Very high	138 Å²	138	52.6 Å²	52.6	60%	0.6	28%	0.279	S	S	*	.	H	α-helix	trans	-70	-24.2	175.7	-76.9	176.4	178.6	-176.8	0	114.7	Q594 G649 P650 A651	Q594-K653 VanDerWaalsContact CD-O 3.32Å; Q594-K653 PolarHBondContact NE2-O 2.97Å; G649-K653 WeakPolarHBondContact O-CB 3.19Å; G649-K653 VanDerWaalsContact O-CG 3.27Å; G649-K653 WeakPolarHBondContact O-CG 3.18Å; G649-K653 PolarHBondContact O-N 3.07Å; G649-K653 VanDerWaalsContact O-N 3.07Å; P650-K653 PolarHBondContact O-N 2.7Å; A651-K653 VanDerWaalsContact C-N 3.28Å; A651-K653 PolarHBondContact O-N 2.98Å
654	V	90.3	Very high	91	Very high	110 Å²	110	53 Å²	53	67%	0.667	28%	0.283	S	S	*	.	H	α-helix	trans	-83.9	-32.5	176.1	170.8	0	0	0	0	111	Q594 P650 A651 D656	Q594-V654 PolarHBondContact NE2-O 3.07Å; P650-V654 WeakPolarHBondContact O-CG2 3.37Å; P650-V654 PolarHBondContact O-N 2.92Å; A651-V654 PolarHBondContact O-N 2.86Å; V654-D656 HydrophobicContact CG1-CB 4.41Å
655	G	89.4	Confident	90.5	Very high	35 Å²	35	54.8 Å²	54.8	36%	0.361	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.8	6.2	-167	0	0	0	0	0	113.3	T593 A651 A652 K657	T593-G655 WeakPolarHBondContact OG1-CA 3.38Å; A651-G655 PolarHBondContact O-N 2.61Å; A652-G655 PolarHBondContact O-N 2.8Å; G655-K657 PolarHBondContact O-N 2.79Å
656	D	92.1	Very high	90.1	Very high	60 Å²	60	55 Å²	55	32%	0.321	31%	0.306	S	S	.	.			trans	-81.3	101.7	-178	-171.7	-12.7	0	0	0	110.6	A651 V654 T658 E659	A651-D656 HydrophobicContact CB-CB 4.37Å; A651-D656 PolarHBondContact O-N 2.66Å; A651-D656 VanDerWaalsContact O-N 3.12Å; V654-D656 HydrophobicContact CG1-CB 4.41Å; D656-T658 VanDerWaalsContact C-N 3.27Å; D656-T658 PolarHBondContact O-N 2.8Å; D656-T658 WeakPolarHBondContact OD1-CA 3.48Å; D656-T658 WeakPolarHBondContact OD1-CB 3.21Å; D656-T658 PolarHBondContact OD1-N 2.87Å; D656-T658 PolarHBondContact OD1-OG1 3.02Å; D656-E659 PolarHBondContact OD1-N 2.95Å
657	K	93.2	Very high	89.9	Confident	34 Å²	34	54.6 Å²	54.6	15%	0.148	30%	0.302	C	S	.	.	S	Bend	trans	-72.2	-17.2	176.4	-64.6	179.8	-170.7	-178.5	0	113.1	T593 G655 L660 C761 N762 W765	T593-K657 HydrophobicContact CG2-CD 4.45Å; T593-K657 HydrophobicContact CG2-CG 3.77Å; G655-K657 PolarHBondContact O-N 2.79Å; K657-L660 WeakPolarHBondContact O-CB 3.35Å; K657-C761 HydrophobicContact CB-CB 4.34Å; K657-N762 WeakPolarHBondContact CD-OD1 3.36Å; K657-N762 PolarHBondContact NZ-OD1 3.21Å; K657-W765 HydrophobicContact CD-CB 4.35Å; K657-W765 HydrophobicContact CD-CG 4.18Å
658	T	92.6	Very high	89.8	Confident	25 Å²	25	58.8 Å²	58.8	15%	0.153	33%	0.329	C	S	.	.	S	Bend	trans	-78.6	-39.1	-177.4	71.7	0	0	0	0	111.9	D656 K674 L757 V758	D656-T658 VanDerWaalsContact C-N 3.27Å; D656-T658 PolarHBondContact O-N 2.8Å; D656-T658 WeakPolarHBondContact OD1-CA 3.48Å; D656-T658 WeakPolarHBondContact OD1-CB 3.21Å; D656-T658 PolarHBondContact OD1-N 2.87Å; D656-T658 PolarHBondContact OD1-OG1 3.02Å; T658-K674 WeakPolarHBondContact O-CE 3.44Å; T658-K674 PolarHBondContact O-NZ 2.96Å; T658-L757 HydrophobicContact CG2-CD2 4.12Å; T658-L757 HydrophobicContact CG2-CG 4.03Å; T658-V758 HydrophobicContact CG2-CG2 3.8Å
659	E	92.3	Very high	89.7	Confident	86 Å²	86	60.2 Å²	60.2	40%	0.402	34%	0.336	S	S	.	.	S	Bend	trans	-98.5	18.8	175.3	-62.8	-53.2	139.3	0	0	113.6	N648 A651 D656 K674	N648-E659 VanDerWaalsContact CB-O 3.24Å; N648-E659 WeakPolarHBondContact CB-O 3.39Å; N648-E659 PolarHBondContact ND2-O 3.13Å; A651-E659 HydrophobicContact CB-CB 4.06Å; A651-E659 WeakPolarHBondContact CB-O 3.4Å; D656-E659 PolarHBondContact OD1-N 2.95Å; E659-K674 WeakPolarHBondContact OE1-CE 3.5Å; E659-K674 IonicContact OE1-NZ 3.96Å; E659-K674 PolarHBondContact OE1-NZ 3.47Å; E659-K674 IonicContact OE2-NZ 2.66Å; E659-K674 PolarHBondContact OE2-NZ 2.85Å
660	L	92.4	Very high	89.8	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.005	33%	0.33	C	S	.	.			trans	-74.6	-41.3	-173.5	-175.9	63.2	0	0	0	114.5	T593 L647 N648 A652 K657 W765	T593-L660 HydrophobicContact CG2-CD1 4.38Å; T593-L660 HydrophobicContact CG2-CD2 3.79Å; L647-L660 HydrophobicContact CD2-CD1 3.94Å; L647-L660 HydrophobicContact CD2-CD2 4.24Å; L647-L660 HydrophobicContact CD2-CG 3.75Å; N648-L660 VanDerWaalsContact CB-O 3.28Å; N648-L660 WeakPolarHBondContact CB-O 3.28Å; N648-L660 PolarHBondContact N-O 3.09Å; A652-L660 HydrophobicContact CB-CD1 3.62Å; K657-L660 WeakPolarHBondContact O-CB 3.35Å; L660-W765 HydrophobicContact CD2-CD2 4.39Å; L660-W765 HydrophobicContact CD2-CE3 3.51Å; L660-W765 HydrophobicContact CD2-CZ3 3.65Å
661	F	91.9	Very high	89.8	Confident	7 Å²	7	60 Å²	60	3%	0.031	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-91.2	122.3	-178.1	-57.7	-73.7	0	0	0	109.8	V646 L647 L664 F667 E764 F768	V646-F661 HydrophobicContact CG1-CD1 4.08Å; L647-F661 HydrophobicContact CD2-CD1 4.27Å; L647-F661 HydrophobicContact CD2-CE1 4.2Å; F661-L664 HydrophobicContact CB-CD2 4.1Å; F661-F667 HydrophobicContact CB-CD2 4.21Å; F661-F667 HydrophobicContact CB-CE2 4.11Å; F661-F667 AromaticContact CD1-CE2 3.7Å; F661-F667 HydrophobicContact CD1-CE2 3.7Å; F661-F667 HydrophobicContact CD1-CZ 4.01Å; F661-F667 HydrophobicContact CD2-CD2 4.47Å; F661-F667 HydrophobicContact CD2-CE2 4.22Å; F661-F667 HydrophobicContact CD2-CZ 4.46Å; F661-F667 HydrophobicContact CE1-CE2 4.14Å; F661-F667 AromaticContact CE1-CZ 3.96Å; F661-F667 HydrophobicContact CE1-CZ 3.96Å; F661-F667 HydrophobicContact CE2-CZ 4.41Å; F661-F667 HydrophobicContact CG-CD2 4.17Å; F661-F667 AromaticContact CG-CE2 3.74Å; F661-F667 HydrophobicContact CG-CE2 3.74Å; F661-F667 HydrophobicContact CG-CZ 4.26Å; F661-F667 HydrophobicContact CZ-CZ 4.16Å; F661-E764 HydrophobicContact CE2-CB 4.5Å; F661-F768 HydrophobicContact CE1-CB 4.31Å; F661-F768 HydrophobicContact CE1-CD1 4.29Å; F661-F768 AromaticContact CE1-CD2 3.79Å; F661-F768 HydrophobicContact CE1-CD2 3.79Å; F661-F768 HydrophobicContact CE1-CE2 4.09Å; F661-F768 AromaticContact CE1-CG 3.89Å; F661-F768 HydrophobicContact CE1-CG 3.89Å; F661-F768 HydrophobicContact CE1-CZ 4.46Å; F661-F768 HydrophobicContact CZ-CB 4.2Å; F661-F768 HydrophobicContact CZ-CG 4.22Å
662	K	85.7	Confident	89.8	Confident	125 Å²	125	65.4 Å²	65.4	54%	0.543	34%	0.344	S	S	.	.	S	Bend	trans	-70.4	-44.3	178.7	-63.7	-168.1	-165	92.9	0	111.9	K645 V646 L647 N648	K645-K662 PolarHBondContact O-NZ 3.14Å; V646-K662 WeakPolarHBondContact O-CB 3.49Å; V646-K662 WeakPolarHBondContact O-CG 3.27Å; V646-K662 PolarHBondContact O-N 3.4Å; L647-K662 VanDerWaalsContact O-CE 3.29Å; L647-K662 WeakPolarHBondContact O-CE 3.39Å; L647-K662 PolarHBondContact O-NZ 3.45Å; N648-K662 HydrophobicContact CB-CG 4.04Å
663	D	86.8	Confident	89.8	Confident	89 Å²	89	68.2 Å²	68.2	48%	0.476	35%	0.354	S	S	.	.			trans	-95.2	140.3	174.6	-157.6	-28	0	0	0	108.8	S665	D663-S665 VanDerWaalsContact OD1-CB 3.24Å; D663-S665 WeakPolarHBondContact OD1-CB 3.49Å; D663-S665 PolarHBondContact OD1-N 2.73Å; D663-S665 PolarHBondContact OD1-OG 2.86Å
664	L	87.6	Confident	90	Very high	31 Å²	31	62.5 Å²	62.5	16%	0.162	33%	0.33	C	S	.	.			trans	-123.9	19.7	179	-59.6	176.1	0	0	0	111	F661 F667 I670 K671 K674	F661-L664 HydrophobicContact CB-CD2 4.1Å; L664-F667 HydrophobicContact CD2-CB 4.26Å; L664-F667 HydrophobicContact CD2-CD2 4.47Å; L664-F667 CarbonylContact O-C 3.53Å; L664-F667 PolarHBondContact O-N 2.75Å; L664-I670 HydrophobicContact CD2-CG2 4.1Å; L664-K671 HydrophobicContact CB-CB 4.12Å; L664-K671 HydrophobicContact CB-CD 4.3Å; L664-K671 HydrophobicContact CB-CG 4.36Å; L664-K674 HydrophobicContact CD1-CD 4.05Å
665	S	83.9	Confident	90.2	Very high	75 Å²	75	61 Å²	61	52%	0.524	32%	0.318	S	S	.	.	S	Bend	trans	-65.2	-45.9	176.1	-60.4	0	0	0	0	111.2	D663 F667	D663-S665 VanDerWaalsContact OD1-CB 3.24Å; D663-S665 WeakPolarHBondContact OD1-CB 3.49Å; D663-S665 PolarHBondContact OD1-N 2.73Å; D663-S665 PolarHBondContact OD1-OG 2.86Å; S665-F667 VanDerWaalsContact C-N 3.26Å; S665-F667 PolarHBondContact O-N 2.79Å
666	D	81.3	Confident	90.5	Very high	139 Å²	139	61.2 Å²	61.2	74%	0.743	31%	0.309	S	S	*	.	S	Bend	trans	-77.9	-9.9	176.2	-52.6	-45.6	0	0	0	113.1	P668	D666-P668 WeakPolarHBondContact O-CD 3.3Å
667	F	88.2	Confident	90.6	Very high	27 Å²	27	59.1 Å²	59.1	12%	0.118	30%	0.298	C	S	.	.			trans	-116.2	59.7	-175.7	-58.1	-68.5	0	0	0	112.8	F661 L664 S665 L669 I670 K671 E764	F661-F667 HydrophobicContact CB-CD2 4.21Å; F661-F667 HydrophobicContact CB-CE2 4.11Å; F661-F667 AromaticContact CD1-CE2 3.7Å; F661-F667 HydrophobicContact CD1-CE2 3.7Å; F661-F667 HydrophobicContact CD1-CZ 4.01Å; F661-F667 HydrophobicContact CD2-CD2 4.47Å; F661-F667 HydrophobicContact CD2-CE2 4.22Å; F661-F667 HydrophobicContact CD2-CZ 4.46Å; F661-F667 HydrophobicContact CE1-CE2 4.14Å; F661-F667 AromaticContact CE1-CZ 3.96Å; F661-F667 HydrophobicContact CE1-CZ 3.96Å; F661-F667 HydrophobicContact CE2-CZ 4.41Å; F661-F667 HydrophobicContact CG-CD2 4.17Å; F661-F667 AromaticContact CG-CE2 3.74Å; F661-F667 HydrophobicContact CG-CE2 3.74Å; F661-F667 HydrophobicContact CG-CZ 4.26Å; F661-F667 HydrophobicContact CZ-CZ 4.16Å; L664-F667 HydrophobicContact CD2-CB 4.26Å; L664-F667 HydrophobicContact CD2-CD2 4.47Å; L664-F667 CarbonylContact O-C 3.53Å; L664-F667 PolarHBondContact O-N 2.75Å; S665-F667 VanDerWaalsContact C-N 3.26Å; S665-F667 PolarHBondContact O-N 2.79Å; F667-L669 VanDerWaalsContact C-N 3.29Å; F667-L669 PolarHBondContact O-N 3.29Å; F667-I670 HydrophobicContact CB-CB 4.04Å; F667-I670 HydrophobicContact CB-CG1 4.02Å; F667-I670 PolarHBondContact O-N 3.09Å; F667-K671 PolarHBondContact O-N 2.98Å; F667-E764 HydrophobicContact CD1-CB 4.15Å; F667-E764 HydrophobicContact CD1-CG 3.98Å; F667-E764 HydrophobicContact CE1-CB 4.01Å; F667-E764 HydrophobicContact CE1-CG 4.31Å
668	P	89.3	Confident	90.7	Very high	90 Å²	90	63.6 Å²	63.6	58%	0.584	32%	0.32	S	S	*	.	H	α-helix	trans	-63.7	-31.2	-173.1	26.4	-35.4	0	0	0	113.3	D666 K672	D666-P668 WeakPolarHBondContact O-CD 3.3Å; P668-K672 WeakPolarHBondContact O-CB 3.35Å; P668-K672 PolarHBondContact O-N 3.47Å
669	L	90.4	Very high	90.8	Very high	77 Å²	77	68.7 Å²	68.7	40%	0.403	34%	0.342	S	S	.	.	H	α-helix	trans	-64.6	-49.3	175	-179.8	61.6	0	0	0	111.1	F667 K671 K672 R673	F667-L669 VanDerWaalsContact C-N 3.29Å; F667-L669 PolarHBondContact O-N 3.29Å; L669-K671 VanDerWaalsContact C-N 3.34Å; L669-K671 PolarHBondContact O-N 3.39Å; L669-K672 WeakPolarHBondContact O-CB 3.09Å; L669-K672 PolarHBondContact O-N 2.97Å; L669-R673 WeakPolarHBondContact O-CG 3.39Å; L669-R673 PolarHBondContact O-N 3.28Å
670	I	91.3	Very high	90.9	Very high	1 Å²	1	65.2 Å²	65.2	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-61.2	-43.7	178.2	-54.8	-49.1	0	0	0	110.8	L664 F667 K672 R673 K674 L757 D760 E764	L664-I670 HydrophobicContact CD2-CG2 4.1Å; F667-I670 HydrophobicContact CB-CB 4.04Å; F667-I670 HydrophobicContact CB-CG1 4.02Å; F667-I670 PolarHBondContact O-N 3.09Å; I670-K672 PolarHBondContact O-N 3.35Å; I670-R673 PolarHBondContact O-N 3.28Å; I670-K674 PolarHBondContact O-N 3.23Å; I670-L757 HydrophobicContact CG2-CD1 3.96Å; I670-D760 HydrophobicContact CD1-CB 3.62Å; I670-E764 HydrophobicContact CD1-CG 3.9Å; I670-E764 HydrophobicContact CG1-CG 3.87Å
671	K	92.6	Very high	91	Very high	101 Å²	101	67 Å²	67	44%	0.439	34%	0.335	S	S	.	.	H	α-helix	trans	-58.2	-46.7	175.1	-167.1	172.1	-176.7	171.6	0	111.8	L664 F667 L669 K674 N675	L664-K671 HydrophobicContact CB-CB 4.12Å; L664-K671 HydrophobicContact CB-CD 4.3Å; L664-K671 HydrophobicContact CB-CG 4.36Å; F667-K671 PolarHBondContact O-N 2.98Å; L669-K671 VanDerWaalsContact C-N 3.34Å; L669-K671 PolarHBondContact O-N 3.39Å; K671-K674 PolarHBondContact O-N 3.03Å; K671-N675 VanDerWaalsContact O-CG 3.31Å; K671-N675 PolarHBondContact O-N 3.17Å; K671-N675 VanDerWaalsContact O-N 3.11Å; K671-N675 PolarHBondContact O-OD1 3.25Å
672	K	92.9	Very high	91.1	Very high	123 Å²	123	71.8 Å²	71.8	54%	0.535	36%	0.358	S	S	.	.	H	α-helix	trans	-60.4	-46	175	177.5	176.2	170.8	177.7	0	111.9	P668 L669 I670 K674 N675 E676	P668-K672 WeakPolarHBondContact O-CB 3.35Å; P668-K672 PolarHBondContact O-N 3.47Å; L669-K672 WeakPolarHBondContact O-CB 3.09Å; L669-K672 PolarHBondContact O-N 2.97Å; I670-K672 PolarHBondContact O-N 3.35Å; K672-K674 PolarHBondContact O-N 3.35Å; K672-N675 PolarHBondContact O-N 2.66Å; K672-E676 WeakPolarHBondContact CE-OE1 3.29Å; K672-E676 HydrophobicContact CG-CG 4.47Å; K672-E676 IonicContact NZ-OE1 3.98Å; K672-E676 WeakPolarHBondContact O-CG 3.49Å; K672-E676 PolarHBondContact O-N 2.94Å
673	R	92.4	Very high	91.4	Very high	58 Å²	58	68 Å²	68	22%	0.219	35%	0.347	C	S	.	.	H	α-helix	trans	-60.4	-42.7	177.6	-71.2	-61.1	-172.4	-147.4	2	113	L669 I670 N675 E676 I677 L757 D760	L669-R673 WeakPolarHBondContact O-CG 3.39Å; L669-R673 PolarHBondContact O-N 3.28Å; I670-R673 PolarHBondContact O-N 3.28Å; R673-N675 VanDerWaalsContact C-N 3.34Å; R673-N675 PolarHBondContact O-N 3.39Å; R673-E676 WeakPolarHBondContact CD-OE2 3.28Å; R673-E676 IonicContact CZ-OE2 3.84Å; R673-E676 IonicContact NH1-OE1 3.86Å; R673-E676 IonicContact NH1-OE2 2.82Å; R673-E676 PolarHBondContact NH1-OE2 3.36Å; R673-E676 PolarHBondContact O-N 3.29Å; R673-I677 WeakPolarHBondContact O-CB 3.34Å; R673-I677 WeakPolarHBondContact O-CD1 3.39Å; R673-I677 WeakPolarHBondContact O-CG1 3.48Å; R673-I677 PolarHBondContact O-N 2.93Å; R673-L757 HydrophobicContact CB-CD1 3.83Å; R673-D760 WeakPolarHBondContact CG-OD2 3.16Å; R673-D760 IonicContact NE-OD2 3.05Å; R673-D760 PolarHBondContact NE-OD2 2.84Å
674	K	93.7	Very high	91.7	Very high	19 Å²	19	63.8 Å²	63.8	8%	0.083	32%	0.324	C	S	.	.	H	α-helix	trans	-62.2	-41	175.2	-73.1	-168.5	-179	-171.5	0	112	T658 E659 L664 I670 K671 K672 I677 Q678 L757	T658-K674 WeakPolarHBondContact O-CE 3.44Å; T658-K674 PolarHBondContact O-NZ 2.96Å; E659-K674 WeakPolarHBondContact OE1-CE 3.5Å; E659-K674 IonicContact OE1-NZ 3.96Å; E659-K674 PolarHBondContact OE1-NZ 3.47Å; E659-K674 IonicContact OE2-NZ 2.66Å; E659-K674 PolarHBondContact OE2-NZ 2.85Å; L664-K674 HydrophobicContact CD1-CD 4.05Å; I670-K674 PolarHBondContact O-N 3.23Å; K671-K674 PolarHBondContact O-N 3.03Å; K672-K674 PolarHBondContact O-N 3.35Å; K674-I677 PolarHBondContact O-N 2.96Å; K674-Q678 WeakPolarHBondContact O-CG 3.34Å; K674-Q678 PolarHBondContact O-N 3.44Å; K674-L757 HydrophobicContact CG-CD1 4.38Å; K674-L757 HydrophobicContact CG-CD2 4.17Å
675	N	94.1	Very high	91.9	Very high	77 Å²	77	67.3 Å²	67.3	41%	0.412	34%	0.34	S	S	.	.	H	α-helix	trans	-63	-48.9	175	-65.7	2.1	0	0	0	111.5	K671 K672 R673 I677 Q678 E679	K671-N675 VanDerWaalsContact O-CG 3.31Å; K671-N675 PolarHBondContact O-N 3.17Å; K671-N675 VanDerWaalsContact O-N 3.11Å; K671-N675 PolarHBondContact O-OD1 3.25Å; K672-N675 PolarHBondContact O-N 2.66Å; R673-N675 VanDerWaalsContact C-N 3.34Å; R673-N675 PolarHBondContact O-N 3.39Å; N675-I677 PolarHBondContact O-N 3.38Å; N675-Q678 PolarHBondContact O-N 3.42Å; N675-Q678 VanDerWaalsContact O-N 3.07Å; N675-E679 WeakPolarHBondContact O-CG 3.48Å; N675-E679 PolarHBondContact O-N 3.14Å
676	E	94.7	Very high	92.2	Very high	40 Å²	40	68.4 Å²	68.4	19%	0.187	34%	0.338	C	S	.	.	H	α-helix	trans	-55.1	-38.4	176	-71.8	173.6	174.5	0	0	112.1	K672 R673 V680 L753	K672-E676 WeakPolarHBondContact CE-OE1 3.29Å; K672-E676 HydrophobicContact CG-CG 4.47Å; K672-E676 IonicContact NZ-OE1 3.98Å; K672-E676 WeakPolarHBondContact O-CG 3.49Å; K672-E676 PolarHBondContact O-N 2.94Å; R673-E676 WeakPolarHBondContact CD-OE2 3.28Å; R673-E676 IonicContact CZ-OE2 3.84Å; R673-E676 IonicContact NH1-OE1 3.86Å; R673-E676 IonicContact NH1-OE2 2.82Å; R673-E676 PolarHBondContact NH1-OE2 3.36Å; R673-E676 PolarHBondContact O-N 3.29Å; E676-V680 WeakPolarHBondContact O-CG2 3.21Å; E676-V680 PolarHBondContact O-N 2.92Å; E676-L753 HydrophobicContact CB-CD1 4.27Å; E676-L753 HydrophobicContact CB-CD2 4.49Å
677	I	94.8	Very high	92.5	Very high	17 Å²	17	66.1 Å²	66.1	9%	0.087	32%	0.319	C	S	.	.	H	α-helix	trans	-69.1	-45.1	175.7	-74.7	165.1	0	0	0	111.6	R673 K674 N675 V680 I681 L750 L753 R754 L757	R673-I677 WeakPolarHBondContact O-CB 3.34Å; R673-I677 WeakPolarHBondContact O-CD1 3.39Å; R673-I677 WeakPolarHBondContact O-CG1 3.48Å; R673-I677 PolarHBondContact O-N 2.93Å; K674-I677 PolarHBondContact O-N 2.96Å; N675-I677 PolarHBondContact O-N 3.38Å; I677-V680 PolarHBondContact O-N 2.89Å; I677-I681 HydrophobicContact CG2-CD1 3.8Å; I677-I681 WeakPolarHBondContact O-CG1 3.44Å; I677-I681 PolarHBondContact O-N 2.72Å; I677-L750 HydrophobicContact CG2-CD1 3.88Å; I677-L753 HydrophobicContact CD1-CB 4.18Å; I677-L753 HydrophobicContact CG1-CB 3.61Å; I677-L753 HydrophobicContact CG1-CD1 4.4Å; I677-R754 HydrophobicContact CD1-CG 4.41Å; I677-L757 HydrophobicContact CD1-CB 3.95Å; I677-L757 HydrophobicContact CD1-CD2 3.63Å; I677-L757 HydrophobicContact CD1-CG 4.38Å
678	Q	94.8	Very high	92.5	Very high	128 Å²	128	65.9 Å²	65.9	60%	0.598	32%	0.318	S	S	*	.	H	α-helix	trans	-64.8	-39.9	179.1	-73.8	177.9	4.6	0	0	112.1	K674 N675 I681 H682	K674-Q678 WeakPolarHBondContact O-CG 3.34Å; K674-Q678 PolarHBondContact O-N 3.44Å; N675-Q678 PolarHBondContact O-N 3.42Å; N675-Q678 VanDerWaalsContact O-N 3.07Å; Q678-I681 PolarHBondContact O-N 2.94Å; Q678-H682 WeakPolarHBondContact O-CB 3.3Å; Q678-H682 PolarHBondContact O-N 3.39Å
679	E	95.1	Very high	92.4	Very high	132 Å²	132	66.8 Å²	66.8	62%	0.617	32%	0.315	S	S	*	.	H	α-helix	trans	-58.9	-46.9	173.4	-73.4	171.3	-164.6	0	0	111.8	N675 H682 S683	N675-E679 WeakPolarHBondContact O-CG 3.48Å; N675-E679 PolarHBondContact O-N 3.14Å; E679-H682 PolarHBondContact O-N 3.17Å; E679-S683 PolarHBondContact O-N 3.27Å
680	V	94.4	Very high	92.2	Very high	12 Å²	12	66.6 Å²	66.6	7%	0.073	31%	0.312	C	S	.	.	H	α-helix	trans	-64.1	-44.6	177.1	173.1	0	0	0	0	111.1	E676 I677 H682 S683 I684 L750 L753	E676-V680 WeakPolarHBondContact O-CG2 3.21Å; E676-V680 PolarHBondContact O-N 2.92Å; I677-V680 PolarHBondContact O-N 2.89Å; V680-H682 VanDerWaalsContact C-N 3.34Å; V680-H682 PolarHBondContact O-N 3.12Å; V680-S683 PolarHBondContact O-N 3.3Å; V680-S683 PolarHBondContact O-OG 3.09Å; V680-I684 HydrophobicContact CG1-CD1 4.12Å; V680-I684 WeakPolarHBondContact O-CG1 3.35Å; V680-I684 PolarHBondContact O-N 2.62Å; V680-I684 VanDerWaalsContact O-N 3.14Å; V680-L750 HydrophobicContact CG1-CB 3.88Å; V680-L750 HydrophobicContact CG1-CD1 4.31Å; V680-L753 HydrophobicContact CG2-CD1 4.05Å
681	I	94.6	Very high	92	Very high	40 Å²	40	67 Å²	67	21%	0.205	31%	0.314	C	S	.	.	H	α-helix	trans	-59.8	-44.7	175.8	-69.5	167.9	0	0	0	111	I677 Q678 S683 I684 Q685 L750	I677-I681 HydrophobicContact CG2-CD1 3.8Å; I677-I681 WeakPolarHBondContact O-CG1 3.44Å; I677-I681 PolarHBondContact O-N 2.72Å; Q678-I681 PolarHBondContact O-N 2.94Å; I681-S683 VanDerWaalsContact C-N 3.34Å; I681-S683 PolarHBondContact O-N 3Å; I681-I684 PolarHBondContact O-N 2.93Å; I681-Q685 HydrophobicContact CG2-CG 4.41Å; I681-Q685 WeakPolarHBondContact O-CG 3.35Å; I681-Q685 PolarHBondContact O-N 2.77Å; I681-L750 HydrophobicContact CD1-CD1 4.11Å; I681-L750 HydrophobicContact CG1-CD1 3.74Å; I681-L750 HydrophobicContact CG1-CD2 3.83Å; I681-L750 HydrophobicContact CG1-CG 4.47Å
682	H	94.2	Very high	91.8	Very high	107 Å²	107	66.1 Å²	66.1	50%	0.495	31%	0.308	S	S	.	.	H	α-helix	trans	-61.9	-41	177.9	-174.3	69.3	0	0	0	111.7	Q678 E679 V680 I684 Q685 M686	Q678-H682 WeakPolarHBondContact O-CB 3.3Å; Q678-H682 PolarHBondContact O-N 3.39Å; E679-H682 PolarHBondContact O-N 3.17Å; V680-H682 VanDerWaalsContact C-N 3.34Å; V680-H682 PolarHBondContact O-N 3.12Å; H682-I684 VanDerWaalsContact C-N 3.33Å; H682-I684 PolarHBondContact O-N 2.99Å; H682-Q685 PolarHBondContact O-N 3.45Å; H682-M686 WeakPolarHBondContact O-CG 3.4Å; H682-M686 PolarHBondContact O-N 3.17Å
683	S	93.4	Very high	91.5	Very high	45 Å²	45	67.7 Å²	67.7	32%	0.315	31%	0.314	S	S	.	.	H	α-helix	trans	-60.3	-39.8	175.8	80.9	0	0	0	0	112.8	E679 V680 I681 R687	E679-S683 PolarHBondContact O-N 3.27Å; V680-S683 PolarHBondContact O-N 3.3Å; V680-S683 PolarHBondContact O-OG 3.09Å; I681-S683 VanDerWaalsContact C-N 3.34Å; I681-S683 PolarHBondContact O-N 3Å; S683-R687 PolarHBondContact O-N 2.87Å; S683-R687 VanDerWaalsContact O-N 3.16Å
684	I	92.6	Very high	91.2	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-70	-39.3	176.9	-62.7	165.6	0	0	0	110.7	V680 I681 H682 R687 Y702 F710 F742 I743 L750	V680-I684 HydrophobicContact CG1-CD1 4.12Å; V680-I684 WeakPolarHBondContact O-CG1 3.35Å; V680-I684 PolarHBondContact O-N 2.62Å; V680-I684 VanDerWaalsContact O-N 3.14Å; I681-I684 PolarHBondContact O-N 2.93Å; H682-I684 VanDerWaalsContact C-N 3.33Å; H682-I684 PolarHBondContact O-N 2.99Å; I684-R687 PolarHBondContact O-N 2.98Å; I684-Y702 HydrophobicContact CG2-CE2 4.05Å; I684-Y702 WeakPolarHBondContact O-CE2 3.44Å; I684-Y702 PolarHBondContact O-OH 3.18Å; I684-F710 HydrophobicContact CB-CD1 4.45Å; I684-F710 HydrophobicContact CG2-CB 4.1Å; I684-F710 HydrophobicContact CG2-CD1 3.45Å; I684-F710 VanDerWaalsContact CG2-CD1 3.45Å; I684-F710 HydrophobicContact CG2-CD2 4.48Å; I684-F710 HydrophobicContact CG2-CE1 3.97Å; I684-F710 HydrophobicContact CG2-CG 3.74Å; I684-F742 HydrophobicContact CG1-CE1 4.46Å; I684-I743 HydrophobicContact CG2-CD1 4.45Å; I684-L750 HydrophobicContact CD1-CD2 4.28Å
685	Q	90.8	Very high	90.7	Very high	106 Å²	106	68.1 Å²	68.1	50%	0.495	32%	0.321	S	S	.	.	H	α-helix	trans	-63.3	-44.8	174.9	-72.5	176	-1.8	0	0	112	I681 H682 R687 L688	I681-Q685 HydrophobicContact CG2-CG 4.41Å; I681-Q685 WeakPolarHBondContact O-CG 3.35Å; I681-Q685 PolarHBondContact O-N 2.77Å; H682-Q685 PolarHBondContact O-N 3.45Å; Q685-R687 VanDerWaalsContact C-N 3.33Å; Q685-R687 PolarHBondContact O-N 3.14Å; Q685-L688 WeakPolarHBondContact O-CB 3.26Å; Q685-L688 PolarHBondContact O-N 2.84Å
686	M	90.3	Very high	90.3	Very high	98 Å²	98	73 Å²	73	48%	0.483	34%	0.339	S	S	.	.	H	α-helix	trans	-62.2	-39.1	177.5	-73.5	-62.8	-73	0	0	112.2	H682 L688 Q689	H682-M686 WeakPolarHBondContact O-CG 3.4Å; H682-M686 PolarHBondContact O-N 3.17Å; M686-L688 PolarHBondContact O-N 2.64Å; M686-L688 VanDerWaalsContact O-N 3.14Å; M686-Q689 PolarHBondContact O-N 3.02Å
687	R	87.7	Confident	89.7	Confident	91 Å²	91	74.8 Å²	74.8	34%	0.343	35%	0.349	S	S	.	.	H	α-helix	trans	-62.1	-20.9	178.4	-148.2	78.9	-170.9	166.3	6.8	114	S683 I684 Q685 Q689 E690 F691 F742	S683-R687 PolarHBondContact O-N 2.87Å; S683-R687 VanDerWaalsContact O-N 3.16Å; I684-R687 PolarHBondContact O-N 2.98Å; Q685-R687 VanDerWaalsContact C-N 3.33Å; Q685-R687 PolarHBondContact O-N 3.14Å; R687-Q689 PolarHBondContact O-N 2.79Å; R687-E690 IonicContact CZ-OE1 3.05Å; R687-E690 IonicContact CZ-OE2 3.01Å; R687-E690 IonicContact NE-OE1 3.56Å; R687-E690 IonicContact NE-OE2 3.33Å; R687-E690 PolarHBondContact NE-OE2 3.42Å; R687-E690 IonicContact NH1-OE1 2.93Å; R687-E690 PolarHBondContact NH1-OE1 2.89Å; R687-E690 IonicContact NH1-OE2 3.71Å; R687-E690 IonicContact NH2-OE1 3.36Å; R687-E690 PolarHBondContact NH2-OE1 3.11Å; R687-E690 IonicContact NH2-OE2 2.65Å; R687-E690 PolarHBondContact NH2-OE2 2.71Å; R687-E690 PolarHBondContact O-N 3.25Å; R687-F691 HydrophobicContact CB-CD2 4.47Å; R687-F691 HydrophobicContact CB-CE2 3.74Å; R687-F691 HydrophobicContact CB-CZ 4.16Å; R687-F691 HydrophobicContact CG-CD2 4.43Å; R687-F691 HydrophobicContact CG-CE1 4.25Å; R687-F691 HydrophobicContact CG-CE2 3.56Å; R687-F691 HydrophobicContact CG-CZ 3.44Å; R687-F691 VanDerWaalsContact CG-CZ 3.44Å; R687-F691 VanDerWaalsContact O-CD2 3.31Å; R687-F691 WeakPolarHBondContact O-CD2 3.3Å; R687-F691 PolarHBondContact O-N 2.64Å; R687-F742 HydrophobicContact CB-CD1 4.05Å; R687-F742 HydrophobicContact CB-CE1 3.76Å; R687-F742 HydrophobicContact CG-CD1 3.65Å; R687-F742 HydrophobicContact CG-CE1 3.77Å; R687-F742 HydrophobicContact CG-CG 4.29Å
688	L	89.1	Confident	89	Confident	21 Å²	21	79 Å²	79	11%	0.11	38%	0.377	C	S	.	.	H	α-helix	trans	-56.9	-31.3	175.4	-175.6	59.9	0	0	0	112.7	Q685 M686 E690 F691 R692 L700 Y702	Q685-L688 WeakPolarHBondContact O-CB 3.26Å; Q685-L688 PolarHBondContact O-N 2.84Å; M686-L688 PolarHBondContact O-N 2.64Å; M686-L688 VanDerWaalsContact O-N 3.14Å; L688-E690 VanDerWaalsContact C-N 3.27Å; L688-E690 PolarHBondContact O-N 2.87Å; L688-F691 PolarHBondContact O-N 3.05Å; L688-R692 WeakPolarHBondContact O-CG 3.39Å; L688-R692 PolarHBondContact O-N 2.82Å; L688-L700 HydrophobicContact CD1-CD2 4.11Å; L688-L700 HydrophobicContact CD1-CG 4.07Å; L688-Y702 HydrophobicContact CB-CE2 3.85Å; L688-Y702 HydrophobicContact CD1-CD1 4.18Å; L688-Y702 HydrophobicContact CD1-CD2 4.44Å; L688-Y702 HydrophobicContact CD1-CE1 3.91Å; L688-Y702 HydrophobicContact CD1-CE2 4.2Å; L688-Y702 HydrophobicContact CD1-CG 4.44Å; L688-Y702 HydrophobicContact CD2-CD2 4.18Å; L688-Y702 HydrophobicContact CD2-CE2 4.2Å; L688-Y702 HydrophobicContact CG-CE2 4.3Å
689	Q	86.4	Confident	88.6	Confident	109 Å²	109	77.5 Å²	77.5	51%	0.509	38%	0.381	S	S	.	.	H	α-helix	trans	-64.8	-30.6	176.5	-61	-165.9	17.7	0	0	112.9	M686 R687 K693	M686-Q689 PolarHBondContact O-N 3.02Å; R687-Q689 PolarHBondContact O-N 2.79Å; Q689-K693 WeakPolarHBondContact O-CG 3.36Å
690	E	86.8	Confident	88.1	Confident	74 Å²	74	71.9 Å²	71.9	35%	0.346	36%	0.355	S	S	.	.	H	α-helix	trans	-79.5	-41.1	175.8	-66.3	-175.8	-145.6	0	0	111.5	R687 L688 R692 K693 I694	R687-E690 IonicContact CZ-OE1 3.05Å; R687-E690 IonicContact CZ-OE2 3.01Å; R687-E690 IonicContact NE-OE1 3.56Å; R687-E690 IonicContact NE-OE2 3.33Å; R687-E690 PolarHBondContact NE-OE2 3.42Å; R687-E690 IonicContact NH1-OE1 2.93Å; R687-E690 PolarHBondContact NH1-OE1 2.89Å; R687-E690 IonicContact NH1-OE2 3.71Å; R687-E690 IonicContact NH2-OE1 3.36Å; R687-E690 PolarHBondContact NH2-OE1 3.11Å; R687-E690 IonicContact NH2-OE2 2.65Å; R687-E690 PolarHBondContact NH2-OE2 2.71Å; R687-E690 PolarHBondContact O-N 3.25Å; L688-E690 VanDerWaalsContact C-N 3.27Å; L688-E690 PolarHBondContact O-N 2.87Å; E690-R692 VanDerWaalsContact C-N 3.26Å; E690-R692 PolarHBondContact O-N 2.89Å; E690-K693 WeakPolarHBondContact O-CA 3.26Å; E690-K693 WeakPolarHBondContact O-CB 3.15Å; E690-K693 PolarHBondContact O-N 3.41Å; E690-I694 WeakPolarHBondContact O-CG1 3.42Å; E690-I694 PolarHBondContact O-N 2.91Å
691	F	86.4	Confident	87.8	Confident	9 Å²	9	78 Å²	78	4%	0.039	38%	0.383	C	S	.	.	H	α-helix	trans	-62.3	-34.1	176	-56	-45.2	0	0	0	112.2	R687 L688 K693 I694 L695 L700 Y702 I712 W726 P740 F742 I743	R687-F691 HydrophobicContact CB-CD2 4.47Å; R687-F691 HydrophobicContact CB-CE2 3.74Å; R687-F691 HydrophobicContact CB-CZ 4.16Å; R687-F691 HydrophobicContact CG-CD2 4.43Å; R687-F691 HydrophobicContact CG-CE1 4.25Å; R687-F691 HydrophobicContact CG-CE2 3.56Å; R687-F691 HydrophobicContact CG-CZ 3.44Å; R687-F691 VanDerWaalsContact CG-CZ 3.44Å; R687-F691 VanDerWaalsContact O-CD2 3.31Å; R687-F691 WeakPolarHBondContact O-CD2 3.3Å; R687-F691 PolarHBondContact O-N 2.64Å; L688-F691 PolarHBondContact O-N 3.05Å; F691-K693 VanDerWaalsContact C-N 3.35Å; F691-K693 PolarHBondContact O-N 2.92Å; F691-I694 HydrophobicContact CD1-CD1 4.14Å; F691-I694 PolarHBondContact O-N 3.02Å; F691-L695 WeakPolarHBondContact O-CB 3.09Å; F691-L695 PolarHBondContact O-N 3.12Å; F691-L700 HydrophobicContact CB-CD2 4.09Å; F691-Y702 HydrophobicContact CD2-CE1 4.44Å; F691-I712 HydrophobicContact CB-CD1 3.92Å; F691-I712 HydrophobicContact CD2-CD1 4.12Å; F691-I712 HydrophobicContact CG-CD1 4.01Å; F691-W726 HydrophobicContact CB-CH2 4.32Å; F691-W726 HydrophobicContact CD1-CH2 4.05Å; F691-W726 AromaticContact CD1-CZ2 3.77Å; F691-W726 HydrophobicContact CD1-CZ2 3.77Å; F691-W726 HydrophobicContact CE1-CZ2 4.31Å; F691-W726 HydrophobicContact CG-CH2 4.39Å; F691-P740 HydrophobicContact CD1-CB 4.29Å; F691-P740 HydrophobicContact CD1-CG 3.86Å; F691-P740 HydrophobicContact CD2-CG 4.31Å; F691-P740 HydrophobicContact CE1-CB 3.53Å; F691-P740 HydrophobicContact CE1-CG 3.52Å; F691-P740 HydrophobicContact CE2-CB 4.5Å; F691-P740 HydrophobicContact CE2-CG 4.01Å; F691-P740 HydrophobicContact CG-CG 4.26Å; F691-P740 HydrophobicContact CZ-CB 3.65Å; F691-P740 HydrophobicContact CZ-CG 3.6Å; F691-F742 HydrophobicContact CZ-CD1 4.42Å; F691-I743 HydrophobicContact CD2-CD1 4.34Å; F691-I743 HydrophobicContact CE2-CD1 3.72Å; F691-I743 HydrophobicContact CE2-CG1 3.9Å; F691-I743 HydrophobicContact CZ-CD1 4.39Å; F691-I743 HydrophobicContact CZ-CG1 4.14Å
692	R	89	Confident	87.8	Confident	82 Å²	82	78.2 Å²	78.2	31%	0.309	38%	0.382	S	S	.	.	H	α-helix	trans	-58.3	-40.3	168.1	-77	171.6	179.5	173.3	1.2	113.1	L688 E690 K696 L697 P698 L700	L688-R692 WeakPolarHBondContact O-CG 3.39Å; L688-R692 PolarHBondContact O-N 2.82Å; E690-R692 VanDerWaalsContact C-N 3.26Å; E690-R692 PolarHBondContact O-N 2.89Å; R692-K696 CarbonylContact O-C 3.59Å; R692-K696 WeakPolarHBondContact O-CA 3.34Å; R692-K696 PolarHBondContact O-N 2.98Å; R692-K696 VanDerWaalsContact O-N 3.11Å; R692-L697 WeakPolarHBondContact CG-O 3.34Å; R692-L697 PolarHBondContact O-N 3.24Å; R692-L697 VanDerWaalsContact O-N 3.1Å; R692-P698 PolarHBondContact NE-O 3.02Å; R692-L700 HydrophobicContact CG-CB 3.9Å; R692-L700 VanDerWaalsContact CZ-O 3.27Å; R692-L700 PolarHBondContact NE-O 3.37Å; R692-L700 PolarHBondContact NH2-O 3.09Å
693	K	86.3	Confident	87.7	Confident	156 Å²	156	75.2 Å²	75.2	68%	0.678	37%	0.371	S	S	*	.	H	α-helix	trans	-71.7	-46.7	177.8	-68	170.6	-176	176.4	0	111.6	Q689 E690 F691 K696	Q689-K693 WeakPolarHBondContact O-CG 3.36Å; E690-K693 WeakPolarHBondContact O-CA 3.26Å; E690-K693 WeakPolarHBondContact O-CB 3.15Å; E690-K693 PolarHBondContact O-N 3.41Å; F691-K693 VanDerWaalsContact C-N 3.35Å; F691-K693 PolarHBondContact O-N 2.92Å; K693-K696 PolarHBondContact O-N 2.96Å
694	I	85.6	Confident	87.7	Confident	84 Å²	84	77.3 Å²	77.3	43%	0.431	38%	0.382	S	S	.	.	H	α-helix	trans	-59.2	-50.6	-179.6	-68.6	163.3	0	0	0	110.8	E690 F691 K696 P723 W726	E690-I694 WeakPolarHBondContact O-CG1 3.42Å; E690-I694 PolarHBondContact O-N 2.91Å; F691-I694 HydrophobicContact CD1-CD1 4.14Å; F691-I694 PolarHBondContact O-N 3.02Å; I694-K696 VanDerWaalsContact C-N 3.29Å; I694-K696 PolarHBondContact O-N 3.39Å; I694-P723 HydrophobicContact CG2-CG 3.75Å; I694-W726 HydrophobicContact CG2-CZ2 4.34Å
695	L	84.6	Confident	87.6	Confident	3 Å²	3	79.6 Å²	79.6	2%	0.016	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-3.8	-179.5	-64.7	169.6	0	0	0	113.7	F691 L697 L700 I712 I714 C721 I722 W726	F691-L695 WeakPolarHBondContact O-CB 3.09Å; F691-L695 PolarHBondContact O-N 3.12Å; L695-L697 HydrophobicContact CB-CB 4.44Å; L695-L697 HydrophobicContact CB-CD1 4.4Å; L695-L697 WeakPolarHBondContact O-CG 3.3Å; L695-L697 PolarHBondContact O-N 3.29Å; L695-L697 VanDerWaalsContact O-N 3.13Å; L695-L700 HydrophobicContact CD1-CD2 3.78Å; L695-I712 HydrophobicContact CD1-CG2 3.88Å; L695-I714 HydrophobicContact CD1-CD1 3.91Å; L695-I714 HydrophobicContact CD2-CD1 4.05Å; L695-C721 WeakPolarHBondContact CD2-O 3.34Å; L695-I722 HydrophobicContact CD2-CG1 4.41Å; L695-W726 HydrophobicContact CD1-CH2 3.6Å; L695-W726 HydrophobicContact CD1-CZ3 3.8Å; L695-W726 HydrophobicContact CD2-CH2 4.19Å; L695-W726 HydrophobicContact CD2-CZ3 4.36Å; L695-W726 HydrophobicContact CG-CH2 3.9Å; L695-W726 HydrophobicContact CG-CZ3 4.37Å
696	K	84.4	Confident	87.4	Confident	180 Å²	180	80.5 Å²	80.5	78%	0.783	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	27.1	-175	-56	177.9	-177.2	176.6	0	114.1	R692 K693 I694 P698	R692-K696 CarbonylContact O-C 3.59Å; R692-K696 WeakPolarHBondContact O-CA 3.34Å; R692-K696 PolarHBondContact O-N 2.98Å; R692-K696 VanDerWaalsContact O-N 3.11Å; K693-K696 PolarHBondContact O-N 2.96Å; I694-K696 VanDerWaalsContact C-N 3.29Å; I694-K696 PolarHBondContact O-N 3.39Å; K696-P698 WeakPolarHBondContact O-CD 3.47Å
697	L	82.8	Confident	87.1	Confident	76 Å²	76	78.7 Å²	78.7	40%	0.398	42%	0.421	S	S	.	.			trans	-114.7	91.3	-177.6	-75	171.9	0	0	0	110	R692 L695 S699 L700	R692-L697 WeakPolarHBondContact CG-O 3.34Å; R692-L697 PolarHBondContact O-N 3.24Å; R692-L697 VanDerWaalsContact O-N 3.1Å; L695-L697 HydrophobicContact CB-CB 4.44Å; L695-L697 HydrophobicContact CB-CD1 4.4Å; L695-L697 WeakPolarHBondContact O-CG 3.3Å; L695-L697 PolarHBondContact O-N 3.29Å; L695-L697 VanDerWaalsContact O-N 3.13Å; L697-S699 PolarHBondContact O-N 3.49Å; L697-L700 HydrophobicContact CB-CB 4.38Å; L697-L700 VanDerWaalsContact O-CB 3.29Å; L697-L700 WeakPolarHBondContact O-CB 3.16Å; L697-L700 PolarHBondContact O-N 3.03Å; L697-L700 VanDerWaalsContact O-N 3.15Å
698	P	80.5	Confident	87.2	Confident	105 Å²	105	78.1 Å²	78.1	68%	0.682	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-25.5	-176.5	26.4	-34.6	0	0	0	113.2	R692 K696 L700	R692-P698 PolarHBondContact NE-O 3.02Å; K696-P698 WeakPolarHBondContact O-CD 3.47Å; P698-L700 PolarHBondContact O-N 3.43Å
699	S	84.9	Confident	87.3	Confident	97 Å²	97	79.4 Å²	79.4	68%	0.678	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-0.6	176.4	54.8	0	0	0	0	114.5	L697 Q701	L697-S699 PolarHBondContact O-N 3.49Å; S699-Q701 PolarHBondContact O-N 3.16Å
700	L	84.8	Confident	87.6	Confident	14 Å²	14	75.2 Å²	75.2	7%	0.073	41%	0.407	C	S	.	.			trans	-60.5	131.1	-178.4	179.6	67.4	0	0	0	111.7	L688 F691 R692 L695 L697 P698 I712	L688-L700 HydrophobicContact CD1-CD2 4.11Å; L688-L700 HydrophobicContact CD1-CG 4.07Å; F691-L700 HydrophobicContact CB-CD2 4.09Å; R692-L700 HydrophobicContact CG-CB 3.9Å; R692-L700 VanDerWaalsContact CZ-O 3.27Å; R692-L700 PolarHBondContact NE-O 3.37Å; R692-L700 PolarHBondContact NH2-O 3.09Å; L695-L700 HydrophobicContact CD1-CD2 3.78Å; L697-L700 HydrophobicContact CB-CB 4.38Å; L697-L700 VanDerWaalsContact O-CB 3.29Å; L697-L700 WeakPolarHBondContact O-CB 3.16Å; L697-L700 PolarHBondContact O-N 3.03Å; L697-L700 VanDerWaalsContact O-N 3.15Å; P698-L700 PolarHBondContact O-N 3.43Å; L700-I712 HydrophobicContact CD1-CG1 4.39Å; L700-I712 HydrophobicContact CD1-CG2 3.85Å; L700-I712 HydrophobicContact CD2-CD1 4.17Å; L700-I712 HydrophobicContact CD2-CG1 4.26Å; L700-I712 HydrophobicContact CD2-CG2 4.4Å
701	Q	89.8	Confident	87.9	Confident	142 Å²	142	71.8 Å²	71.8	66%	0.664	39%	0.391	S	S	*	.			trans	-129.2	157.7	170.8	-62.4	-176.6	3.6	0	0	108.7	S699	S699-Q701 PolarHBondContact O-N 3.16Å
702	Y	92.9	Very high	88.1	Confident	43 Å²	43	71.3 Å²	71.3	17%	0.169	39%	0.389	C	S	.	.			trans	-73.4	145.2	169.6	-67	-50.5	0	0	0	110.6	I684 L688 F691 F710 M711 I712 I743	I684-Y702 HydrophobicContact CG2-CE2 4.05Å; I684-Y702 WeakPolarHBondContact O-CE2 3.44Å; I684-Y702 PolarHBondContact O-OH 3.18Å; L688-Y702 HydrophobicContact CB-CE2 3.85Å; L688-Y702 HydrophobicContact CD1-CD1 4.18Å; L688-Y702 HydrophobicContact CD1-CD2 4.44Å; L688-Y702 HydrophobicContact CD1-CE1 3.91Å; L688-Y702 HydrophobicContact CD1-CE2 4.2Å; L688-Y702 HydrophobicContact CD1-CG 4.44Å; L688-Y702 HydrophobicContact CD2-CD2 4.18Å; L688-Y702 HydrophobicContact CD2-CE2 4.2Å; L688-Y702 HydrophobicContact CG-CE2 4.3Å; F691-Y702 HydrophobicContact CD2-CE1 4.44Å; Y702-F710 HydrophobicContact CD1-CB 4.3Å; Y702-F710 VanDerWaalsContact CD1-O 3.28Å; Y702-F710 WeakPolarHBondContact CD1-O 3.39Å; Y702-F710 AromaticContact CD2-CD1 3.9Å; Y702-F710 HydrophobicContact CD2-CD1 3.9Å; Y702-F710 HydrophobicContact CE2-CD1 4.14Å; Y702-F710 HydrophobicContact CG-CB 4.4Å; Y702-F710 HydrophobicContact CG-CD1 4.31Å; Y702-M711 WeakPolarHBondContact CA-O 3.42Å; Y702-I712 HydrophobicContact CD1-CG1 4.28Å; Y702-I712 HydrophobicContact CE1-CD1 4.5Å; Y702-I712 HydrophobicContact CE1-CG1 4.26Å; Y702-I743 HydrophobicContact CD1-CD1 4.48Å; Y702-I743 HydrophobicContact CE1-CD1 3.5Å; Y702-I743 VanDerWaalsContact CE1-CD1 3.5Å
703	V	92.8	Very high	88.2	Confident	44 Å²	44	70.8 Å²	70.8	27%	0.267	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	149.2	169.9	-55.9	0	0	0	0	111	V705 M711 E713	V703-V705 HydrophobicContact CG2-CG2 4.39Å; V703-M711 HydrophobicContact CG2-CB 3.9Å; V703-M711 HydrophobicContact CG2-CE 4.42Å; V703-M711 PolarHBondContact N-O 3.17Å; V703-M711 PolarHBondContact O-N 2.85Å; V703-E713 HydrophobicContact CG1-CB 4.46Å; V703-E713 HydrophobicContact CG2-CB 3.83Å
704	T	93.9	Very high	88.4	Confident	89 Å²	89	64 Å²	64	55%	0.546	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	124	173	-63.8	0	0	0	0	108.6	Q708 E709	T704-Q708 CarbonylContact C-O 3.6Å; T704-Q708 VanDerWaalsContact CA-O 3.22Å; T704-Q708 WeakPolarHBondContact CA-O 3.4Å; T704-Q708 WeakPolarHBondContact CG2-O 3.25Å; T704-E709 HydrophobicContact CG2-CB 4.47Å; T704-E709 HydrophobicContact CG2-CG 3.8Å
705	V	90.8	Very high	88.6	Confident	48 Å²	48	66.9 Å²	66.9	29%	0.291	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	130	-178.1	-172.5	0	0	0	0	109.5	V703 G707 Q708 M711	V703-V705 HydrophobicContact CG2-CG2 4.39Å; V705-G707 PolarHBondContact O-N 2.83Å; V705-Q708 PolarHBondContact N-O 3.47Å; V705-Q708 PolarHBondContact O-N 3.03Å; V705-Q708 VanDerWaalsContact O-N 3.11Å; V705-M711 HydrophobicContact CB-CE 3.71Å; V705-M711 HydrophobicContact CG2-CE 4.02Å; V705-M711 VanDerWaalsContact N-CE 3.3Å
706	S	85.7	Confident	88.9	Confident	126 Å²	126	69.6 Å²	69.6	88%	0.881	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	37.5	179.5	-54.8	0	0	0	0	114.3	Q708	S706-Q708 VanDerWaalsContact C-N 3.27Å; S706-Q708 PolarHBondContact O-N 3.44Å
707	G	84.9	Confident	89	Confident	60 Å²	60	66.1 Å²	66.1	62%	0.619	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	-11.7	179.6	0	0	0	0	0	115.6	V705 Y747	V705-G707 PolarHBondContact O-N 2.83Å; G707-Y747 PolarHBondContact O-OH 2.97Å
708	Q	88.4	Confident	89.1	Confident	79 Å²	79	64.2 Å²	64.2	37%	0.369	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	128.8	167.3	-65	-176.1	7.8	0	0	109	T704 V705 S706 M711	T704-Q708 CarbonylContact C-O 3.6Å; T704-Q708 VanDerWaalsContact CA-O 3.22Å; T704-Q708 WeakPolarHBondContact CA-O 3.4Å; T704-Q708 WeakPolarHBondContact CG2-O 3.25Å; V705-Q708 PolarHBondContact N-O 3.47Å; V705-Q708 PolarHBondContact O-N 3.03Å; V705-Q708 VanDerWaalsContact O-N 3.11Å; S706-Q708 VanDerWaalsContact C-N 3.27Å; S706-Q708 PolarHBondContact O-N 3.44Å; Q708-M711 HydrophobicContact CB-CE 3.78Å; Q708-M711 HydrophobicContact CB-CG 4.45Å; Q708-M711 HydrophobicContact CB-SD 3.82Å; Q708-M711 WeakPolarHBondContact O-CE 3.47Å
709	E	92	Very high	89.3	Confident	47 Å²	47	61.7 Å²	61.7	22%	0.22	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	168.8	-179.3	-60.3	172.2	146.4	0	0	111	T704 M711 H739 Y747 R754	T704-E709 HydrophobicContact CG2-CB 4.47Å; T704-E709 HydrophobicContact CG2-CG 3.8Å; E709-M711 PolarHBondContact O-N 2.91Å; E709-M711 VanDerWaalsContact O-N 3.14Å; E709-H739 PolarHBondContact O-NE2 3.38Å; E709-H739 VanDerWaalsContact O-NE2 3.15Å; E709-Y747 HydrophobicContact CB-CE2 3.93Å; E709-Y747 HydrophobicContact CG-CE2 4.47Å; E709-Y747 PolarHBondContact N-OH 2.77Å; E709-R754 VanDerWaalsContact CD-NH2 3.31Å; E709-R754 IonicContact OE1-CZ 3.49Å; E709-R754 IonicContact OE1-NH1 2.95Å; E709-R754 IonicContact OE1-NH2 2.86Å; E709-R754 PolarHBondContact OE1-NH2 3Å; E709-R754 IonicContact OE2-CZ 2.66Å; E709-R754 IonicContact OE2-NH1 3.12Å; E709-R754 PolarHBondContact OE2-NH1 2.9Å; E709-R754 IonicContact OE2-NH2 2.82Å; E709-R754 PolarHBondContact OE2-NH2 3.02Å
710	F	92.3	Very high	89.3	Confident	21 Å²	21	62.7 Å²	62.7	9%	0.092	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	60.5	20	174.3	-47.9	-74.9	0	0	0	115.1	I684 Y702 I743 Y747 L750	I684-F710 HydrophobicContact CB-CD1 4.45Å; I684-F710 HydrophobicContact CG2-CB 4.1Å; I684-F710 HydrophobicContact CG2-CD1 3.45Å; I684-F710 VanDerWaalsContact CG2-CD1 3.45Å; I684-F710 HydrophobicContact CG2-CD2 4.48Å; I684-F710 HydrophobicContact CG2-CE1 3.97Å; I684-F710 HydrophobicContact CG2-CG 3.74Å; Y702-F710 HydrophobicContact CD1-CB 4.3Å; Y702-F710 VanDerWaalsContact CD1-O 3.28Å; Y702-F710 WeakPolarHBondContact CD1-O 3.39Å; Y702-F710 AromaticContact CD2-CD1 3.9Å; Y702-F710 HydrophobicContact CD2-CD1 3.9Å; Y702-F710 HydrophobicContact CE2-CD1 4.14Å; Y702-F710 HydrophobicContact CG-CB 4.4Å; Y702-F710 HydrophobicContact CG-CD1 4.31Å; F710-I743 HydrophobicContact CB-CD1 4.43Å; F710-I743 HydrophobicContact CB-CG2 3.96Å; F710-Y747 AromaticContact CD2-CD2 3.74Å; F710-Y747 HydrophobicContact CD2-CD2 3.74Å; F710-Y747 HydrophobicContact CD2-CE2 4Å; F710-Y747 HydrophobicContact CE2-CD2 4.1Å; F710-Y747 HydrophobicContact CE2-CE2 4.25Å; F710-L750 HydrophobicContact CE2-CD2 3.61Å; F710-L750 HydrophobicContact CZ-CD2 4.09Å
711	M	93	Very high	89.1	Confident	2 Å²	2	65.2 Å²	65.2	1%	0.01	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	141	177.5	-72.8	179	-67.1	0	0	111.9	Y702 V703 V705 Q708 E709 V729 R737 H739	Y702-M711 WeakPolarHBondContact CA-O 3.42Å; V703-M711 HydrophobicContact CG2-CB 3.9Å; V703-M711 HydrophobicContact CG2-CE 4.42Å; V703-M711 PolarHBondContact N-O 3.17Å; V703-M711 PolarHBondContact O-N 2.85Å; V705-M711 HydrophobicContact CB-CE 3.71Å; V705-M711 HydrophobicContact CG2-CE 4.02Å; V705-M711 VanDerWaalsContact N-CE 3.3Å; Q708-M711 HydrophobicContact CB-CE 3.78Å; Q708-M711 HydrophobicContact CB-CG 4.45Å; Q708-M711 HydrophobicContact CB-SD 3.82Å; Q708-M711 WeakPolarHBondContact O-CE 3.47Å; E709-M711 PolarHBondContact O-N 2.91Å; E709-M711 VanDerWaalsContact O-N 3.14Å; M711-V729 HydrophobicContact CG-CG2 3.8Å; M711-V729 HydrophobicContact SD-CG2 3.96Å; M711-R737 HydrophobicContact CB-CB 4.24Å; M711-R737 HydrophobicContact CG-CB 4.3Å; M711-R737 HydrophobicContact SD-CB 3.82Å; M711-R737 WeakPolarHBondContact SD-CD 3.49Å; M711-R737 HydrophobicContact SD-CG 4.21Å; M711-H739 WeakPolarHBondContact CG-NE2 3.29Å
712	I	91.4	Very high	89	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	115.4	165.3	-70	169	0	0	0	108.1	F691 L695 L700 Y702 I714 W726 R737 F738 P740	F691-I712 HydrophobicContact CB-CD1 3.92Å; F691-I712 HydrophobicContact CD2-CD1 4.12Å; F691-I712 HydrophobicContact CG-CD1 4.01Å; L695-I712 HydrophobicContact CD1-CG2 3.88Å; L700-I712 HydrophobicContact CD1-CG1 4.39Å; L700-I712 HydrophobicContact CD1-CG2 3.85Å; L700-I712 HydrophobicContact CD2-CD1 4.17Å; L700-I712 HydrophobicContact CD2-CG1 4.26Å; L700-I712 HydrophobicContact CD2-CG2 4.4Å; Y702-I712 HydrophobicContact CD1-CG1 4.28Å; Y702-I712 HydrophobicContact CE1-CD1 4.5Å; Y702-I712 HydrophobicContact CE1-CG1 4.26Å; I712-I714 HydrophobicContact CG2-CD1 3.78Å; I712-I714 HydrophobicContact CG2-CG1 4.02Å; I712-W726 HydrophobicContact CB-CZ3 4.25Å; I712-W726 HydrophobicContact CD1-CE3 4.48Å; I712-W726 HydrophobicContact CD1-CH2 3.65Å; I712-W726 HydrophobicContact CD1-CZ3 3.49Å; I712-W726 VanDerWaalsContact CD1-CZ3 3.49Å; I712-W726 HydrophobicContact CG1-CZ3 4.46Å; I712-W726 HydrophobicContact CG2-CZ3 4.01Å; I712-R737 WeakPolarHBondContact O-CA 3.39Å; I712-F738 PolarHBondContact N-O 3.15Å; I712-F738 VanDerWaalsContact N-O 3.07Å; I712-F738 PolarHBondContact O-N 2.72Å; I712-P740 HydrophobicContact CD1-CG 3.92Å
713	E	91.7	Very high	88.8	Confident	70 Å²	70	59.2 Å²	59.2	33%	0.327	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	125.7	-179.9	-175.6	174.7	109.5	0	0	111.6	V703 V735 R737	V703-E713 HydrophobicContact CG1-CB 4.46Å; V703-E713 HydrophobicContact CG2-CB 3.83Å; E713-V735 HydrophobicContact CG-CB 3.7Å; E713-V735 HydrophobicContact CG-CG1 4.1Å; E713-V735 HydrophobicContact CG-CG2 3.84Å; E713-R737 HydrophobicContact CB-CG 4.14Å; E713-R737 HydrophobicContact CG-CG 4.12Å; E713-R737 IonicContact OE2-CZ 2.77Å; E713-R737 IonicContact OE2-NE 3.22Å; E713-R737 PolarHBondContact OE2-NE 2.83Å; E713-R737 IonicContact OE2-NH2 2.79Å; E713-R737 PolarHBondContact OE2-NH2 2.91Å
714	I	89.9	Confident	88.4	Confident	13 Å²	13	62.5 Å²	62.5	7%	0.067	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	142.2	-177.2	-66.7	171	0	0	0	109.3	L695 I712 A718 I722 V735 S736	L695-I714 HydrophobicContact CD1-CD1 3.91Å; L695-I714 HydrophobicContact CD2-CD1 4.05Å; I712-I714 HydrophobicContact CG2-CD1 3.78Å; I712-I714 HydrophobicContact CG2-CG1 4.02Å; I714-A718 HydrophobicContact CG2-CB 3.83Å; I714-I722 HydrophobicContact CB-CD1 4.09Å; I714-I722 HydrophobicContact CD1-CD1 3.6Å; I714-I722 HydrophobicContact CD1-CG1 3.63Å; I714-I722 HydrophobicContact CG1-CD1 4.39Å; I714-I722 HydrophobicContact CG2-CD1 4.18Å; I714-V735 CarbonylContact O-C 3.53Å; I714-V735 WeakPolarHBondContact O-CA 3.44Å; I714-S736 PolarHBondContact N-O 2.85Å; I714-S736 PolarHBondContact O-N 2.64Å
715	K	90.2	Very high	88.2	Confident	146 Å²	146	62.6 Å²	62.6	64%	0.635	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.5	141.6	176.5	-68.1	-177.3	179.4	179.4	0	110.8	S717 A718 V735	K715-S717 PolarHBondContact O-N 3.43Å; K715-A718 PolarHBondContact O-N 2.84Å; K715-V735 HydrophobicContact CG-CG1 4.25Å
716	N	89.8	Confident	88.2	Confident	60 Å²	60	61.3 Å²	61.3	32%	0.321	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-57.2	-27.1	-178.3	-73.3	-19.4	0	0	0	113	A718 T732 K733 A734 S736	N716-A718 VanDerWaalsContact C-N 3.27Å; N716-A718 PolarHBondContact O-N 2.68Å; N716-T732 PolarHBondContact ND2-O 3.11Å; N716-K733 VanDerWaalsContact ND2-C 3.28Å; N716-K733 PolarHBondContact ND2-O 2.92Å; N716-A734 PolarHBondContact N-O 3.37Å; N716-S736 WeakPolarHBondContact OD1-CB 3.46Å; N716-S736 PolarHBondContact OD1-N 3.29Å; N716-S736 VanDerWaalsContact OD1-N 3.17Å; N716-S736 PolarHBondContact OD1-OG 3.04Å
717	S	87.3	Confident	88.6	Confident	106 Å²	106	58.9 Å²	58.9	74%	0.741	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-71.3	-12	173.8	60.7	0	0	0	0	115.4	K715	K715-S717 PolarHBondContact O-N 3.43Å
718	A	84.3	Confident	88.9	Confident	37 Å²	37	60.9 Å²	60.9	31%	0.306	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-120.9	12.5	-175.3	0	0	0	0	0	113	I714 K715 N716 S720 C721	I714-A718 HydrophobicContact CG2-CB 3.83Å; K715-A718 PolarHBondContact O-N 2.84Å; N716-A718 VanDerWaalsContact C-N 3.27Å; N716-A718 PolarHBondContact O-N 2.68Å; A718-S720 PolarHBondContact O-N 2.99Å; A718-C721 VanDerWaalsContact O-CB 3.24Å; A718-C721 WeakPolarHBondContact O-CB 3.49Å; A718-C721 PolarHBondContact O-N 2.65Å
719	V	85.9	Confident	89.1	Confident	51 Å²	51	59.2 Å²	59.2	31%	0.309	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-62.8	-24.1	179.7	168.9	0	0	0	0	112.5	C721 I722 F738	V719-C721 PolarHBondContact O-N 3.43Å; V719-I722 HydrophobicContact CB-CD1 4.43Å; V719-I722 HydrophobicContact CG1-CD1 4.38Å; V719-I722 HydrophobicContact CG2-CD1 4.37Å; V719-I722 WeakPolarHBondContact O-CB 3.49Å; V719-I722 WeakPolarHBondContact O-CG1 3.36Å; V719-I722 PolarHBondContact O-N 3.42Å; V719-I722 VanDerWaalsContact O-N 3.15Å; V719-F738 HydrophobicContact CG1-CZ 3.95Å; V719-F738 HydrophobicContact CG2-CE2 4.32Å; V719-F738 HydrophobicContact CG2-CZ 4.19Å
720	S	83.1	Confident	88.9	Confident	118 Å²	118	57.8 Å²	57.8	83%	0.825	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-64.7	-11.5	171.6	50.2	0	0	0	0	114.8	A718 I722	A718-S720 PolarHBondContact O-N 2.99Å; S720-I722 VanDerWaalsContact C-N 3.28Å
721	C	82.1	Confident	89	Confident	67 Å²	67	60.5 Å²	60.5	45%	0.453	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-81.9	-6.4	174.3	-166.6	0	0	0	0	112.9	L695 A718 V719	L695-C721 WeakPolarHBondContact CD2-O 3.34Å; A718-C721 VanDerWaalsContact O-CB 3.24Å; A718-C721 WeakPolarHBondContact O-CB 3.49Å; A718-C721 PolarHBondContact O-N 2.65Å; V719-C721 PolarHBondContact O-N 3.43Å
722	I	86.5	Confident	88.9	Confident	23 Å²	23	63 Å²	63	12%	0.118	38%	0.384	C	S	.	.	S	Bend	trans	-97.7	133.7	-168.5	-52.4	177.9	0	0	0	110.3	L695 I714 V719 S720 W726 F738	L695-I722 HydrophobicContact CD2-CG1 4.41Å; I714-I722 HydrophobicContact CB-CD1 4.09Å; I714-I722 HydrophobicContact CD1-CD1 3.6Å; I714-I722 HydrophobicContact CD1-CG1 3.63Å; I714-I722 HydrophobicContact CG1-CD1 4.39Å; I714-I722 HydrophobicContact CG2-CD1 4.18Å; V719-I722 HydrophobicContact CB-CD1 4.43Å; V719-I722 HydrophobicContact CG1-CD1 4.38Å; V719-I722 HydrophobicContact CG2-CD1 4.37Å; V719-I722 WeakPolarHBondContact O-CB 3.49Å; V719-I722 WeakPolarHBondContact O-CG1 3.36Å; V719-I722 PolarHBondContact O-N 3.42Å; V719-I722 VanDerWaalsContact O-N 3.15Å; S720-I722 VanDerWaalsContact C-N 3.28Å; I722-W726 HydrophobicContact CG2-CB 3.99Å; I722-W726 HydrophobicContact CG2-CD2 3.93Å; I722-W726 HydrophobicContact CG2-CE3 3.6Å; I722-W726 HydrophobicContact CG2-CG 4.14Å; I722-W726 HydrophobicContact CG2-CZ3 4.32Å; I722-F738 HydrophobicContact CD1-CD1 4.37Å; I722-F738 HydrophobicContact CD1-CD2 3.48Å; I722-F738 VanDerWaalsContact CD1-CD2 3.48Å; I722-F738 HydrophobicContact CD1-CE1 4.13Å; I722-F738 HydrophobicContact CD1-CE2 3.17Å; I722-F738 HydrophobicContact CD1-CG 4.08Å; I722-F738 HydrophobicContact CD1-CZ 3.55Å; I722-F738 HydrophobicContact CG2-CD1 4.23Å; I722-F738 HydrophobicContact CG2-CG 4.32Å
723	P	88.4	Confident	88.8	Confident	37 Å²	37	73.4 Å²	73.4	24%	0.24	43%	0.429	C	S	.	.			trans	-59.2	145.6	174.6	-25	35.4	0	0	0	113.6	I694 D725 W726	I694-P723 HydrophobicContact CG2-CG 3.75Å; P723-D725 VanDerWaalsContact C-N 3.26Å; P723-D725 WeakPolarHBondContact CB-OD1 3.41Å; P723-D725 PolarHBondContact O-N 3.47Å; P723-W726 HydrophobicContact CB-CG 4.35Å; P723-W726 HydrophobicContact CG-CD2 4.45Å; P723-W726 HydrophobicContact CG-CZ2 4.12Å; P723-W726 WeakPolarHBondContact O-CB 3.42Å; P723-W726 PolarHBondContact O-N 2.97Å
724	A	85	Confident	88.7	Confident	112 Å²	112	73.3 Å²	73.3	93%	0.926	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-15.7	-173.1	0	0	0	0	0	114.6	W726	A724-W726 VanDerWaalsContact C-N 3.31Å
725	D	89.3	Confident	88.9	Confident	92 Å²	92	73.8 Å²	73.8	49%	0.492	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-5.7	175.3	59.6	-60.2	0	0	0	113.6	P723 P741	P723-D725 VanDerWaalsContact C-N 3.26Å; P723-D725 WeakPolarHBondContact CB-OD1 3.41Å; P723-D725 PolarHBondContact O-N 3.47Å; D725-P741 HydrophobicContact CB-CG 4.48Å; D725-P741 WeakPolarHBondContact OD2-CD 3.47Å; D725-P741 WeakPolarHBondContact OD2-CG 3.44Å
726	W	92	Very high	89	Confident	21 Å²	21	66.9 Å²	66.9	8%	0.08	41%	0.414	C	S	.	.			trans	-86.2	126.4	-176.5	-70.1	25.9	0	0	0	112.1	F691 I694 L695 I712 I722 P723 A724 K728 F738 P740	F691-W726 HydrophobicContact CB-CH2 4.32Å; F691-W726 HydrophobicContact CD1-CH2 4.05Å; F691-W726 AromaticContact CD1-CZ2 3.77Å; F691-W726 HydrophobicContact CD1-CZ2 3.77Å; F691-W726 HydrophobicContact CE1-CZ2 4.31Å; F691-W726 HydrophobicContact CG-CH2 4.39Å; I694-W726 HydrophobicContact CG2-CZ2 4.34Å; L695-W726 HydrophobicContact CD1-CH2 3.6Å; L695-W726 HydrophobicContact CD1-CZ3 3.8Å; L695-W726 HydrophobicContact CD2-CH2 4.19Å; L695-W726 HydrophobicContact CD2-CZ3 4.36Å; L695-W726 HydrophobicContact CG-CH2 3.9Å; L695-W726 HydrophobicContact CG-CZ3 4.37Å; I712-W726 HydrophobicContact CB-CZ3 4.25Å; I712-W726 HydrophobicContact CD1-CE3 4.48Å; I712-W726 HydrophobicContact CD1-CH2 3.65Å; I712-W726 HydrophobicContact CD1-CZ3 3.49Å; I712-W726 VanDerWaalsContact CD1-CZ3 3.49Å; I712-W726 HydrophobicContact CG1-CZ3 4.46Å; I712-W726 HydrophobicContact CG2-CZ3 4.01Å; I722-W726 HydrophobicContact CG2-CB 3.99Å; I722-W726 HydrophobicContact CG2-CD2 3.93Å; I722-W726 HydrophobicContact CG2-CE3 3.6Å; I722-W726 HydrophobicContact CG2-CG 4.14Å; I722-W726 HydrophobicContact CG2-CZ3 4.32Å; P723-W726 HydrophobicContact CB-CG 4.35Å; P723-W726 HydrophobicContact CG-CD2 4.45Å; P723-W726 HydrophobicContact CG-CZ2 4.12Å; P723-W726 WeakPolarHBondContact O-CB 3.42Å; P723-W726 PolarHBondContact O-N 2.97Å; A724-W726 VanDerWaalsContact C-N 3.31Å; W726-K728 PolarHBondContact O-N 3.15Å; W726-F738 HydrophobicContact CB-CB 4.44Å; W726-F738 HydrophobicContact CE3-CB 4.06Å; W726-P740 HydrophobicContact CD2-CB 4.04Å; W726-P740 HydrophobicContact CD2-CG 3.78Å; W726-P740 HydrophobicContact CE3-CG 3.9Å; W726-P740 HydrophobicContact CG-CB 4.33Å; W726-P740 HydrophobicContact CG-CG 4.5Å; W726-P740 HydrophobicContact CH2-CG 3.85Å; W726-P740 HydrophobicContact CZ2-CB 4.15Å; W726-P740 HydrophobicContact CZ2-CG 3.71Å; W726-P740 HydrophobicContact CZ3-CG 3.93Å
727	V	92.5	Very high	89.2	Confident	75 Å²	75	65.8 Å²	65.8	46%	0.455	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	122.4	-178.9	-178.6	0	0	0	0	109.8	V729 F738 H739 V744	V727-V729 HydrophobicContact CG1-CG1 4.2Å; V727-V729 PolarHBondContact O-N 3.44Å; V727-F738 CarbonylContact O-C 3.47Å; V727-F738 VanDerWaalsContact O-CA 3.3Å; V727-F738 WeakPolarHBondContact O-CA 3.47Å; V727-H739 PolarHBondContact N-O 2.93Å; V727-H739 PolarHBondContact O-N 2.87Å; V727-V744 HydrophobicContact CB-CG2 4.08Å; V727-V744 HydrophobicContact CG2-CG2 3.94Å
728	K	92.4	Very high	89.5	Confident	102 Å²	102	61.4 Å²	61.4	44%	0.443	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	110.3	171.3	-176.4	168.5	168.2	168	0	110.1	W726 G730 S731 S736 R737 F738	W726-K728 PolarHBondContact O-N 3.15Å; K728-G730 WeakPolarHBondContact CE-O 3.48Å; K728-S731 VanDerWaalsContact CE-CB 3.45Å; K728-S731 WeakPolarHBondContact CE-OG 3.44Å; K728-S731 PolarHBondContact NZ-OG 2.93Å; K728-S736 WeakPolarHBondContact CE-OG 3.34Å; K728-S736 PolarHBondContact NZ-OG 3.41Å; K728-R737 CarbonylContact C-O 3.56Å; K728-F738 HydrophobicContact CB-CD1 3.78Å; K728-F738 HydrophobicContact CB-CE1 3.65Å; K728-F738 HydrophobicContact CB-CZ 4.42Å; K728-F738 HydrophobicContact CD-CE1 4.05Å; K728-F738 HydrophobicContact CD-CZ 4.05Å; K728-F738 HydrophobicContact CG-CD1 4.28Å; K728-F738 HydrophobicContact CG-CE1 3.94Å; K728-F738 HydrophobicContact CG-CZ 4.23Å
729	V	91.5	Very high	89.9	Confident	44 Å²	44	60.1 Å²	60.1	27%	0.267	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-20.7	-176.7	-63.6	0	0	0	0	113.6	M711 V727 R737 H739	M711-V729 HydrophobicContact CG-CG2 3.8Å; M711-V729 HydrophobicContact SD-CG2 3.96Å; V727-V729 HydrophobicContact CG1-CG1 4.2Å; V727-V729 PolarHBondContact O-N 3.44Å; V729-R737 HydrophobicContact CG2-CB 4.38Å; V729-R737 PolarHBondContact N-O 3.26Å; V729-H739 HydrophobicContact CG1-CB 4.11Å
730	G	89.7	Confident	90.2	Very high	17 Å²	17	57.7 Å²	57.7	18%	0.175	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	154.2	178.4	0	0	0	0	0	113.4	K728 R737	K728-G730 WeakPolarHBondContact CE-O 3.48Å; G730-R737 PolarHBondContact N-O 2.61Å; G730-R737 VanDerWaalsContact N-O 3.16Å; G730-R737 PolarHBondContact O-N 3.21Å
731	S	92.8	Very high	90.6	Very high	77 Å²	77	55 Å²	55	54%	0.538	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	141.8	176.2	-155.7	0	0	0	0	111.2	K728	K728-S731 VanDerWaalsContact CE-CB 3.45Å; K728-S731 WeakPolarHBondContact CE-OG 3.44Å; K728-S731 PolarHBondContact NZ-OG 2.93Å
732	T	91.7	Very high	91.1	Very high	56 Å²	56	55.3 Å²	55.3	34%	0.344	32%	0.319	S	S	.	.			trans	-130.6	177.8	165.7	71.9	0	0	0	0	108.9	N716 A734 V735	N716-T732 PolarHBondContact ND2-O 3.11Å; T732-A734 PolarHBondContact O-N 3.49Å; T732-A734 PolarHBondContact OG1-N 2.98Å; T732-V735 HydrophobicContact CG2-CG2 4.24Å; T732-V735 PolarHBondContact N-O 3.36Å; T732-V735 WeakPolarHBondContact OG1-CG2 3.37Å; T732-V735 PolarHBondContact OG1-N 3.27Å; T732-V735 PolarHBondContact OG1-O 2.94Å
733	K	88.9	Confident	91.4	Very high	217 Å²	217	54.2 Å²	54.2	94%	0.943	31%	0.314	S	S	*	.	S	Bend	trans	-64	-27.4	175.1	-64.8	-173.7	178.7	-177.3	0	113.2	N716	N716-K733 VanDerWaalsContact ND2-C 3.28Å; N716-K733 PolarHBondContact ND2-O 2.92Å
734	A	90.5	Very high	91.6	Very high	68 Å²	68	54.2 Å²	54.2	56%	0.562	31%	0.313	S	S	*	.	S	Bend	trans	-106.8	-37.1	-175.1	0	0	0	0	0	114.5	N716 T732	N716-A734 PolarHBondContact N-O 3.37Å; T732-A734 PolarHBondContact O-N 3.49Å; T732-A734 PolarHBondContact OG1-N 2.98Å
735	V	93.6	Very high	91.9	Very high	23 Å²	23	55.2 Å²	55.2	14%	0.139	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	148.5	-174.3	-66.4	0	0	0	0	111.9	E713 I714 K715 T732	E713-V735 HydrophobicContact CG-CB 3.7Å; E713-V735 HydrophobicContact CG-CG1 4.1Å; E713-V735 HydrophobicContact CG-CG2 3.84Å; I714-V735 CarbonylContact O-C 3.53Å; I714-V735 WeakPolarHBondContact O-CA 3.44Å; K715-V735 HydrophobicContact CG-CG1 4.25Å; T732-V735 HydrophobicContact CG2-CG2 4.24Å; T732-V735 PolarHBondContact N-O 3.36Å; T732-V735 WeakPolarHBondContact OG1-CG2 3.37Å; T732-V735 PolarHBondContact OG1-N 3.27Å; T732-V735 PolarHBondContact OG1-O 2.94Å
736	S	92.3	Very high	92	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.014	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	148.5	172.3	-70.8	0	0	0	0	109.9	I714 N716 K728	I714-S736 PolarHBondContact N-O 2.85Å; I714-S736 PolarHBondContact O-N 2.64Å; N716-S736 WeakPolarHBondContact OD1-CB 3.46Å; N716-S736 PolarHBondContact OD1-N 3.29Å; N716-S736 VanDerWaalsContact OD1-N 3.17Å; N716-S736 PolarHBondContact OD1-OG 3.04Å; K728-S736 WeakPolarHBondContact CE-OG 3.34Å; K728-S736 PolarHBondContact NZ-OG 3.41Å
737	R	93.6	Very high	92	Very high	37 Å²	37	52.1 Å²	52.1	14%	0.14	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	134.7	-175.3	-60.8	-175.1	-172.7	115.6	10.3	111.4	M711 I712 E713 K728 V729 G730	M711-R737 HydrophobicContact CB-CB 4.24Å; M711-R737 HydrophobicContact CG-CB 4.3Å; M711-R737 HydrophobicContact SD-CB 3.82Å; M711-R737 WeakPolarHBondContact SD-CD 3.49Å; M711-R737 HydrophobicContact SD-CG 4.21Å; I712-R737 WeakPolarHBondContact O-CA 3.39Å; E713-R737 HydrophobicContact CB-CG 4.14Å; E713-R737 HydrophobicContact CG-CG 4.12Å; E713-R737 IonicContact OE2-CZ 2.77Å; E713-R737 IonicContact OE2-NE 3.22Å; E713-R737 PolarHBondContact OE2-NE 2.83Å; E713-R737 IonicContact OE2-NH2 2.79Å; E713-R737 PolarHBondContact OE2-NH2 2.91Å; K728-R737 CarbonylContact C-O 3.56Å; V729-R737 HydrophobicContact CG2-CB 4.38Å; V729-R737 PolarHBondContact N-O 3.26Å; G730-R737 PolarHBondContact N-O 2.61Å; G730-R737 VanDerWaalsContact N-O 3.16Å; G730-R737 PolarHBondContact O-N 3.21Å
738	F	92.6	Very high	92	Very high	14 Å²	14	54.8 Å²	54.8	6%	0.061	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	146.9	-169.6	-58.9	-100.4	0	0	0	112	I712 V719 I722 W726 V727 K728	I712-F738 PolarHBondContact N-O 3.15Å; I712-F738 VanDerWaalsContact N-O 3.07Å; I712-F738 PolarHBondContact O-N 2.72Å; V719-F738 HydrophobicContact CG1-CZ 3.95Å; V719-F738 HydrophobicContact CG2-CE2 4.32Å; V719-F738 HydrophobicContact CG2-CZ 4.19Å; I722-F738 HydrophobicContact CD1-CD1 4.37Å; I722-F738 HydrophobicContact CD1-CD2 3.48Å; I722-F738 VanDerWaalsContact CD1-CD2 3.48Å; I722-F738 HydrophobicContact CD1-CE1 4.13Å; I722-F738 HydrophobicContact CD1-CE2 3.17Å; I722-F738 HydrophobicContact CD1-CG 4.08Å; I722-F738 HydrophobicContact CD1-CZ 3.55Å; I722-F738 HydrophobicContact CG2-CD1 4.23Å; I722-F738 HydrophobicContact CG2-CG 4.32Å; W726-F738 HydrophobicContact CB-CB 4.44Å; W726-F738 HydrophobicContact CE3-CB 4.06Å; V727-F738 CarbonylContact O-C 3.47Å; V727-F738 VanDerWaalsContact O-CA 3.3Å; V727-F738 WeakPolarHBondContact O-CA 3.47Å; K728-F738 HydrophobicContact CB-CD1 3.78Å; K728-F738 HydrophobicContact CB-CE1 3.65Å; K728-F738 HydrophobicContact CB-CZ 4.42Å; K728-F738 HydrophobicContact CD-CE1 4.05Å; K728-F738 HydrophobicContact CD-CZ 4.05Å; K728-F738 HydrophobicContact CG-CD1 4.28Å; K728-F738 HydrophobicContact CG-CE1 3.94Å; K728-F738 HydrophobicContact CG-CZ 4.23Å
739	H	93.8	Very high	92	Very high	9 Å²	9	56.9 Å²	56.9	4%	0.042	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	120.5	166.2	-72.6	-179	0	0	0	109.5	E709 M711 V727 V729 I743 V744 Y747	E709-H739 PolarHBondContact O-NE2 3.38Å; E709-H739 VanDerWaalsContact O-NE2 3.15Å; M711-H739 WeakPolarHBondContact CG-NE2 3.29Å; V727-H739 PolarHBondContact N-O 2.93Å; V727-H739 PolarHBondContact O-N 2.87Å; V729-H739 HydrophobicContact CG1-CB 4.11Å; H739-I743 HydrophobicContact CB-CB 4.33Å; H739-I743 HydrophobicContact CB-CG2 4.29Å; H739-V744 HydrophobicContact CB-CG2 3.6Å; H739-Y747 AromaticContact CE1-CD1 3.99Å
740	P	92.1	Very high	92.1	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.006	28%	0.277	C	S	.	.			trans	-54.9	152.8	162.6	-19.8	29.8	0	0	0	111	F691 I712 W726 F742 I743 V744	F691-P740 HydrophobicContact CD1-CB 4.29Å; F691-P740 HydrophobicContact CD1-CG 3.86Å; F691-P740 HydrophobicContact CD2-CG 4.31Å; F691-P740 HydrophobicContact CE1-CB 3.53Å; F691-P740 HydrophobicContact CE1-CG 3.52Å; F691-P740 HydrophobicContact CE2-CB 4.5Å; F691-P740 HydrophobicContact CE2-CG 4.01Å; F691-P740 HydrophobicContact CG-CG 4.26Å; F691-P740 HydrophobicContact CZ-CB 3.65Å; F691-P740 HydrophobicContact CZ-CG 3.6Å; I712-P740 HydrophobicContact CD1-CG 3.92Å; W726-P740 HydrophobicContact CD2-CB 4.04Å; W726-P740 HydrophobicContact CD2-CG 3.78Å; W726-P740 HydrophobicContact CE3-CG 3.9Å; W726-P740 HydrophobicContact CG-CB 4.33Å; W726-P740 HydrophobicContact CG-CG 4.5Å; W726-P740 HydrophobicContact CH2-CG 3.85Å; W726-P740 HydrophobicContact CZ2-CB 4.15Å; W726-P740 HydrophobicContact CZ2-CG 3.71Å; W726-P740 HydrophobicContact CZ3-CG 3.93Å; P740-F742 VanDerWaalsContact C-N 3.27Å; P740-F742 PolarHBondContact O-N 2.94Å; P740-I743 HydrophobicContact CB-CG1 4.4Å; P740-I743 HydrophobicContact CG-CD1 4.13Å; P740-I743 HydrophobicContact CG-CG1 4.16Å; P740-I743 WeakPolarHBondContact O-CA 3.46Å; P740-I743 PolarHBondContact O-N 3.39Å; P740-V744 PolarHBondContact O-N 3.47Å
741	P	91.2	Very high	92.3	Very high	62 Å²	62	55.8 Å²	55.8	40%	0.403	28%	0.278	S	S	.	.	H	α-helix	trans	-57.2	-38.1	-176.9	21.8	-33.5	0	0	0	113.1	D725 I743 V744 E745	D725-P741 HydrophobicContact CB-CG 4.48Å; D725-P741 WeakPolarHBondContact OD2-CD 3.47Å; D725-P741 WeakPolarHBondContact OD2-CG 3.44Å; P741-I743 VanDerWaalsContact C-N 3.3Å; P741-I743 PolarHBondContact O-N 2.88Å; P741-V744 WeakPolarHBondContact O-CB 3.3Å; P741-V744 PolarHBondContact O-N 3.09Å; P741-V744 VanDerWaalsContact O-N 3.13Å; P741-E745 PolarHBondContact O-N 3.5Å
742	F	92.3	Very high	92.2	Very high	72 Å²	72	53.8 Å²	53.8	32%	0.316	26%	0.26	S	S	.	.	H	α-helix	trans	-57.7	-39.2	172.3	176.1	-92.7	0	0	0	113	I684 R687 F691 P740 S746	I684-F742 HydrophobicContact CG1-CE1 4.46Å; R687-F742 HydrophobicContact CB-CD1 4.05Å; R687-F742 HydrophobicContact CB-CE1 3.76Å; R687-F742 HydrophobicContact CG-CD1 3.65Å; R687-F742 HydrophobicContact CG-CE1 3.77Å; R687-F742 HydrophobicContact CG-CG 4.29Å; F691-F742 HydrophobicContact CZ-CD1 4.42Å; P740-F742 VanDerWaalsContact C-N 3.27Å; P740-F742 PolarHBondContact O-N 2.94Å; F742-S746 WeakPolarHBondContact CZ-OG 3.4Å; F742-S746 VanDerWaalsContact O-CB 3.22Å; F742-S746 WeakPolarHBondContact O-CB 3.13Å; F742-S746 PolarHBondContact O-N 3.22Å; F742-S746 PolarHBondContact O-OG 3.07Å
743	I	92.9	Very high	92.3	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-72.6	-39.4	175.6	-58	-165.2	0	0	0	110.1	I684 F691 Y702 F710 H739 P740 P741 E745 S746 Y747	I684-I743 HydrophobicContact CG2-CD1 4.45Å; F691-I743 HydrophobicContact CD2-CD1 4.34Å; F691-I743 HydrophobicContact CE2-CD1 3.72Å; F691-I743 HydrophobicContact CE2-CG1 3.9Å; F691-I743 HydrophobicContact CZ-CD1 4.39Å; F691-I743 HydrophobicContact CZ-CG1 4.14Å; Y702-I743 HydrophobicContact CD1-CD1 4.48Å; Y702-I743 HydrophobicContact CE1-CD1 3.5Å; Y702-I743 VanDerWaalsContact CE1-CD1 3.5Å; F710-I743 HydrophobicContact CB-CD1 4.43Å; F710-I743 HydrophobicContact CB-CG2 3.96Å; H739-I743 HydrophobicContact CB-CB 4.33Å; H739-I743 HydrophobicContact CB-CG2 4.29Å; P740-I743 HydrophobicContact CB-CG1 4.4Å; P740-I743 HydrophobicContact CG-CD1 4.13Å; P740-I743 HydrophobicContact CG-CG1 4.16Å; P740-I743 WeakPolarHBondContact O-CA 3.46Å; P740-I743 PolarHBondContact O-N 3.39Å; P741-I743 VanDerWaalsContact C-N 3.3Å; P741-I743 PolarHBondContact O-N 2.88Å; I743-E745 VanDerWaalsContact C-N 3.27Å; I743-E745 PolarHBondContact O-N 3.3Å; I743-S746 PolarHBondContact O-N 2.87Å; I743-Y747 WeakPolarHBondContact O-CA 3.38Å; I743-Y747 WeakPolarHBondContact O-CB 3.31Å; I743-Y747 PolarHBondContact O-N 2.92Å
744	V	92.4	Very high	92.6	Very high	37 Å²	37	45.1 Å²	45.1	22%	0.224	22%	0.217	C	C	.	.	H	α-helix	trans	-56.8	-42	176.5	178.3	0	0	0	0	111.5	V727 H739 P740 P741 R748	V727-V744 HydrophobicContact CB-CG2 4.08Å; V727-V744 HydrophobicContact CG2-CG2 3.94Å; H739-V744 HydrophobicContact CB-CG2 3.6Å; P740-V744 PolarHBondContact O-N 3.47Å; P741-V744 WeakPolarHBondContact O-CB 3.3Å; P741-V744 PolarHBondContact O-N 3.09Å; P741-V744 VanDerWaalsContact O-N 3.13Å; V744-R748 WeakPolarHBondContact O-CB 3.47Å; V744-R748 PolarHBondContact O-N 3.21Å
745	E	91.8	Very high	92.7	Very high	134 Å²	134	43.9 Å²	43.9	63%	0.626	20%	0.199	S	C	*	.	H	α-helix	trans	-76.1	-49.7	176.9	-173.9	168.3	-156.1	0	0	113	P741 I743 Y747 R748 R749	P741-E745 PolarHBondContact O-N 3.5Å; I743-E745 VanDerWaalsContact C-N 3.27Å; I743-E745 PolarHBondContact O-N 3.3Å; E745-Y747 VanDerWaalsContact C-N 3.35Å; E745-Y747 PolarHBondContact O-N 3.29Å; E745-R748 WeakPolarHBondContact O-CB 3.16Å; E745-R748 PolarHBondContact O-N 3.35Å; E745-R749 PolarHBondContact O-N 2.93Å
746	S	91.8	Very high	92.6	Very high	15 Å²	15	45.4 Å²	45.4	11%	0.105	21%	0.205	C	C	.	.	H	α-helix	trans	-64.8	-37	-178	-53.8	0	0	0	0	112.7	F742 I743 R749 L750	F742-S746 WeakPolarHBondContact CZ-OG 3.4Å; F742-S746 VanDerWaalsContact O-CB 3.22Å; F742-S746 WeakPolarHBondContact O-CB 3.13Å; F742-S746 PolarHBondContact O-N 3.22Å; F742-S746 PolarHBondContact O-OG 3.07Å; I743-S746 PolarHBondContact O-N 2.87Å; S746-R749 PolarHBondContact O-N 3.32Å; S746-L750 WeakPolarHBondContact O-CB 3.16Å; S746-L750 PolarHBondContact O-N 2.66Å
747	Y	92.8	Very high	92.7	Very high	33 Å²	33	45.9 Å²	45.9	13%	0.129	21%	0.207	C	C	.	.	H	α-helix	trans	-71.1	-34.3	175.3	-173.6	-124.3	0	0	0	112	G707 E709 F710 H739 I743 E745 L750 N751	G707-Y747 PolarHBondContact O-OH 2.97Å; E709-Y747 HydrophobicContact CB-CE2 3.93Å; E709-Y747 HydrophobicContact CG-CE2 4.47Å; E709-Y747 PolarHBondContact N-OH 2.77Å; F710-Y747 AromaticContact CD2-CD2 3.74Å; F710-Y747 HydrophobicContact CD2-CD2 3.74Å; F710-Y747 HydrophobicContact CD2-CE2 4Å; F710-Y747 HydrophobicContact CE2-CD2 4.1Å; F710-Y747 HydrophobicContact CE2-CE2 4.25Å; H739-Y747 AromaticContact CE1-CD1 3.99Å; I743-Y747 WeakPolarHBondContact O-CA 3.38Å; I743-Y747 WeakPolarHBondContact O-CB 3.31Å; I743-Y747 PolarHBondContact O-N 2.92Å; E745-Y747 VanDerWaalsContact C-N 3.35Å; E745-Y747 PolarHBondContact O-N 3.29Å; Y747-L750 HydrophobicContact CD2-CD2 4.33Å; Y747-L750 PolarHBondContact O-N 3.38Å; Y747-N751 WeakPolarHBondContact CE1-ND2 3.49Å; Y747-N751 VanDerWaalsContact CZ-ND2 3.33Å; Y747-N751 WeakPolarHBondContact O-CB 3.38Å; Y747-N751 VanDerWaalsContact O-CG 3.27Å; Y747-N751 PolarHBondContact O-N 3.29Å; Y747-N751 PolarHBondContact O-ND2 2.82Å
748	R	91.8	Very high	92.7	Very high	130 Å²	130	47.4 Å²	47.4	49%	0.491	22%	0.22	S	C	.	.	H	α-helix	trans	-61	-49.1	170.1	-175.5	-170.5	-64.1	123.6	-0.8	110.4	V744 E745 L750 N751 Q752	V744-R748 WeakPolarHBondContact O-CB 3.47Å; V744-R748 PolarHBondContact O-N 3.21Å; E745-R748 WeakPolarHBondContact O-CB 3.16Å; E745-R748 PolarHBondContact O-N 3.35Å; R748-L750 PolarHBondContact O-N 2.77Å; R748-N751 PolarHBondContact O-N 3.16Å; R748-Q752 VanDerWaalsContact O-CG 3.24Å; R748-Q752 WeakPolarHBondContact O-CG 3.46Å; R748-Q752 PolarHBondContact O-N 2.92Å; R748-Q752 PolarHBondContact O-OE1 3.18Å
749	R	92.7	Very high	92.7	Very high	147 Å²	147	50.6 Å²	50.6	56%	0.555	24%	0.238	S	C	*	.	H	α-helix	trans	-61.5	-41.6	175.9	-177.9	174.7	172.7	177	-4.4	112.4	E745 S746 Q752 L753	E745-R749 PolarHBondContact O-N 2.93Å; S746-R749 PolarHBondContact O-N 3.32Å; R749-Q752 PolarHBondContact O-N 2.87Å; R749-L753 HydrophobicContact CG-CD1 4.26Å; R749-L753 WeakPolarHBondContact O-CG 3.38Å; R749-L753 PolarHBondContact O-N 2.72Å
750	L	93.8	Very high	92.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-60.5	-45.4	176.8	179.8	57.9	0	0	0	111.9	I677 V680 I681 I684 F710 S746 Y747 R748 L753 R754	I677-L750 HydrophobicContact CG2-CD1 3.88Å; V680-L750 HydrophobicContact CG1-CB 3.88Å; V680-L750 HydrophobicContact CG1-CD1 4.31Å; I681-L750 HydrophobicContact CD1-CD1 4.11Å; I681-L750 HydrophobicContact CG1-CD1 3.74Å; I681-L750 HydrophobicContact CG1-CD2 3.83Å; I681-L750 HydrophobicContact CG1-CG 4.47Å; I684-L750 HydrophobicContact CD1-CD2 4.28Å; F710-L750 HydrophobicContact CE2-CD2 3.61Å; F710-L750 HydrophobicContact CZ-CD2 4.09Å; S746-L750 WeakPolarHBondContact O-CB 3.16Å; S746-L750 PolarHBondContact O-N 2.66Å; Y747-L750 HydrophobicContact CD2-CD2 4.33Å; Y747-L750 PolarHBondContact O-N 3.38Å; R748-L750 PolarHBondContact O-N 2.77Å; L750-L753 PolarHBondContact O-N 2.74Å; L750-R754 HydrophobicContact CD1-CG 4.49Å; L750-R754 WeakPolarHBondContact O-CB 3.39Å; L750-R754 WeakPolarHBondContact O-CG 3.47Å; L750-R754 PolarHBondContact O-N 3.05Å
751	N	92.7	Very high	92.7	Very high	38 Å²	38	51 Å²	51	20%	0.203	24%	0.24	C	C	.	.	H	α-helix	trans	-71	-32	179.9	-67.2	-21.5	0	0	0	112.1	A272 Y747 R748 R754 E755	A272-N751 HydrophobicContact CB-CB 4.07Å; Y747-N751 WeakPolarHBondContact CE1-ND2 3.49Å; Y747-N751 VanDerWaalsContact CZ-ND2 3.33Å; Y747-N751 WeakPolarHBondContact O-CB 3.38Å; Y747-N751 VanDerWaalsContact O-CG 3.27Å; Y747-N751 PolarHBondContact O-N 3.29Å; Y747-N751 PolarHBondContact O-ND2 2.82Å; R748-N751 PolarHBondContact O-N 3.16Å; N751-R754 PolarHBondContact O-N 3.33Å; N751-R754 PolarHBondContact OD1-NH1 3.12Å; N751-E755 WeakPolarHBondContact O-CB 3.22Å; N751-E755 WeakPolarHBondContact O-CG 3.25Å; N751-E755 PolarHBondContact O-N 3.01Å
752	Q	91.5	Very high	92.8	Very high	35 Å²	35	50.6 Å²	50.6	16%	0.164	24%	0.235	C	C	.	.	H	α-helix	trans	-63.1	-46.5	170.1	-71.1	160.1	-11.9	0	0	111.8	A272 L273 I276 R748 R749 R754 E755 Q756	A272-Q752 HydrophobicContact CB-CG 3.9Å; A272-Q752 WeakPolarHBondContact O-CG 3.45Å; A272-Q752 PolarHBondContact O-NE2 3.25Å; L273-Q752 HydrophobicContact CD2-CB 4.33Å; I276-Q752 VanDerWaalsContact CD1-CD 3.43Å; I276-Q752 HydrophobicContact CD1-CG 3.85Å; I276-Q752 VanDerWaalsContact CD1-NE2 3.28Å; R748-Q752 VanDerWaalsContact O-CG 3.24Å; R748-Q752 WeakPolarHBondContact O-CG 3.46Å; R748-Q752 PolarHBondContact O-N 2.92Å; R748-Q752 PolarHBondContact O-OE1 3.18Å; R749-Q752 PolarHBondContact O-N 2.87Å; Q752-R754 VanDerWaalsContact C-N 3.34Å; Q752-R754 PolarHBondContact O-N 3.07Å; Q752-E755 PolarHBondContact O-N 2.97Å; Q752-Q756 WeakPolarHBondContact O-CB 3.43Å; Q752-Q756 PolarHBondContact O-N 2.97Å
753	L	93.9	Very high	92.8	Very high	20 Å²	20	50.1 Å²	50.1	11%	0.105	24%	0.244	C	C	.	.	H	α-helix	trans	-64.7	-37	176.2	-70.3	170.9	0	0	0	112.3	E676 I677 V680 R749 L750 Q756 L757	E676-L753 HydrophobicContact CB-CD1 4.27Å; E676-L753 HydrophobicContact CB-CD2 4.49Å; I677-L753 HydrophobicContact CD1-CB 4.18Å; I677-L753 HydrophobicContact CG1-CB 3.61Å; I677-L753 HydrophobicContact CG1-CD1 4.4Å; V680-L753 HydrophobicContact CG2-CD1 4.05Å; R749-L753 HydrophobicContact CG-CD1 4.26Å; R749-L753 WeakPolarHBondContact O-CG 3.38Å; R749-L753 PolarHBondContact O-N 2.72Å; L750-L753 PolarHBondContact O-N 2.74Å; L753-Q756 PolarHBondContact O-N 2.83Å; L753-L757 WeakPolarHBondContact O-CB 3.32Å; L753-L757 PolarHBondContact O-N 2.88Å
754	R	93.9	Very high	92.9	Very high	71 Å²	71	52.9 Å²	52.9	27%	0.268	26%	0.257	S	S	.	.	H	α-helix	trans	-65.6	-47.2	174.2	-76.8	166.7	162.8	170.3	-12.1	112.6	I677 E709 L750 N751 Q752 Q756 L757 V758	I677-R754 HydrophobicContact CD1-CG 4.41Å; E709-R754 VanDerWaalsContact CD-NH2 3.31Å; E709-R754 IonicContact OE1-CZ 3.49Å; E709-R754 IonicContact OE1-NH1 2.95Å; E709-R754 IonicContact OE1-NH2 2.86Å; E709-R754 PolarHBondContact OE1-NH2 3Å; E709-R754 IonicContact OE2-CZ 2.66Å; E709-R754 IonicContact OE2-NH1 3.12Å; E709-R754 PolarHBondContact OE2-NH1 2.9Å; E709-R754 IonicContact OE2-NH2 2.82Å; E709-R754 PolarHBondContact OE2-NH2 3.02Å; L750-R754 HydrophobicContact CD1-CG 4.49Å; L750-R754 WeakPolarHBondContact O-CB 3.39Å; L750-R754 WeakPolarHBondContact O-CG 3.47Å; L750-R754 PolarHBondContact O-N 3.05Å; N751-R754 PolarHBondContact O-N 3.33Å; N751-R754 PolarHBondContact OD1-NH1 3.12Å; Q752-R754 VanDerWaalsContact C-N 3.34Å; Q752-R754 PolarHBondContact O-N 3.07Å; R754-Q756 VanDerWaalsContact C-N 3.31Å; R754-Q756 PolarHBondContact O-N 3.36Å; R754-L757 PolarHBondContact O-N 2.96Å; R754-V758 WeakPolarHBondContact O-CG2 3.41Å; R754-V758 PolarHBondContact O-N 2.85Å
755	E	92.8	Very high	93	Very high	41 Å²	41	51.3 Å²	51.3	19%	0.192	25%	0.247	C	C	.	.	H	α-helix	trans	-61.6	-41.4	175.4	-75	-177.6	-179.5	0	0	110.8	T270 A271 A272 L273 N751 Q752 V758 L759	T270-E755 WeakPolarHBondContact CB-OE2 3.39Å; T270-E755 PolarHBondContact OG1-OE2 2.92Å; A271-E755 PolarHBondContact N-OE1 3.22Å; A271-E755 VanDerWaalsContact N-OE1 3.15Å; A271-E755 PolarHBondContact N-OE2 2.84Å; A272-E755 WeakPolarHBondContact CA-OE2 3.43Å; A272-E755 VanDerWaalsContact CB-CD 3.46Å; A272-E755 HydrophobicContact CB-CG 4.41Å; A272-E755 WeakPolarHBondContact CB-OE1 3.18Å; A272-E755 WeakPolarHBondContact CB-OE2 3.49Å; A272-E755 VanDerWaalsContact N-CD 3.27Å; A272-E755 PolarHBondContact N-OE1 3.01Å; A272-E755 PolarHBondContact N-OE2 2.94Å; L273-E755 HydrophobicContact CD1-CB 4.03Å; L273-E755 HydrophobicContact CG-CB 3.94Å; L273-E755 PolarHBondContact N-OE2 2.82Å; N751-E755 WeakPolarHBondContact O-CB 3.22Å; N751-E755 WeakPolarHBondContact O-CG 3.25Å; N751-E755 PolarHBondContact O-N 3.01Å; Q752-E755 PolarHBondContact O-N 2.97Å; E755-V758 PolarHBondContact O-N 2.62Å; E755-L759 PolarHBondContact O-N 2.98Å
756	Q	92.6	Very high	93.1	Very high	56 Å²	56	48.6 Å²	48.6	26%	0.262	24%	0.236	S	C	.	.	H	α-helix	trans	-64.2	-44	174.5	-169.8	64.3	51.4	0	0	112.4	Q752 L753 R754 V758 L759 D760	Q752-Q756 WeakPolarHBondContact O-CB 3.43Å; Q752-Q756 PolarHBondContact O-N 2.97Å; L753-Q756 PolarHBondContact O-N 2.83Å; R754-Q756 VanDerWaalsContact C-N 3.31Å; R754-Q756 PolarHBondContact O-N 3.36Å; Q756-V758 VanDerWaalsContact C-N 3.26Å; Q756-V758 PolarHBondContact O-N 2.71Å; Q756-L759 PolarHBondContact O-N 2.9Å; Q756-L759 VanDerWaalsContact O-N 3.08Å; Q756-D760 PolarHBondContact NE2-OD1 2.82Å; Q756-D760 WeakPolarHBondContact O-CB 3.28Å; Q756-D760 PolarHBondContact O-N 2.93Å
757	L	94.5	Very high	93.2	Very high	12 Å²	12	49.5 Å²	49.5	6%	0.063	25%	0.247	C	C	.	.	H	α-helix	trans	-58.9	-38.5	175.2	175.1	66.1	0	0	0	111.4	T658 I670 R673 K674 I677 L753 R754 C761	T658-L757 HydrophobicContact CG2-CD2 4.12Å; T658-L757 HydrophobicContact CG2-CG 4.03Å; I670-L757 HydrophobicContact CG2-CD1 3.96Å; R673-L757 HydrophobicContact CB-CD1 3.83Å; K674-L757 HydrophobicContact CG-CD1 4.38Å; K674-L757 HydrophobicContact CG-CD2 4.17Å; I677-L757 HydrophobicContact CD1-CB 3.95Å; I677-L757 HydrophobicContact CD1-CD2 3.63Å; I677-L757 HydrophobicContact CD1-CG 4.38Å; L753-L757 WeakPolarHBondContact O-CB 3.32Å; L753-L757 PolarHBondContact O-N 2.88Å; R754-L757 PolarHBondContact O-N 2.96Å; L757-C761 VanDerWaalsContact O-CB 3.25Å; L757-C761 WeakPolarHBondContact O-CB 3.42Å; L757-C761 PolarHBondContact O-N 2.82Å; L757-C761 PolarHBondContact O-SG 2.87Å
758	V	93.4	Very high	93.2	Very high	68 Å²	68	48.8 Å²	48.8	41%	0.412	25%	0.245	S	C	.	.	H	α-helix	trans	-65.7	-38.5	175	170.6	0	0	0	0	111.4	T658 R754 E755 Q756 N762	T658-V758 HydrophobicContact CG2-CG2 3.8Å; R754-V758 WeakPolarHBondContact O-CG2 3.41Å; R754-V758 PolarHBondContact O-N 2.85Å; E755-V758 PolarHBondContact O-N 2.62Å; Q756-V758 VanDerWaalsContact C-N 3.26Å; Q756-V758 PolarHBondContact O-N 2.71Å; V758-N762 WeakPolarHBondContact O-CB 3.36Å; V758-N762 PolarHBondContact O-N 3.01Å; V758-N762 PolarHBondContact O-ND2 2.8Å
759	L	91.6	Very high	93.3	Very high	82 Å²	82	42.6 Å²	42.6	43%	0.429	22%	0.222	S	C	.	.	H	α-helix	trans	-67.3	-48.9	173.8	-66.5	177.7	0	0	0	111.9	L273 E755 Q756 C761 N762 A763	L273-L759 HydrophobicContact CD1-CD1 3.58Å; E755-L759 PolarHBondContact O-N 2.98Å; Q756-L759 PolarHBondContact O-N 2.9Å; Q756-L759 VanDerWaalsContact O-N 3.08Å; L759-C761 PolarHBondContact O-N 2.94Å; L759-N762 PolarHBondContact O-N 2.9Å; L759-N762 VanDerWaalsContact O-N 3.09Å; L759-A763 PolarHBondContact O-N 3.29Å
760	D	93.4	Very high	93.4	Very high	19 Å²	19	38.9 Å²	38.9	10%	0.102	21%	0.211	C	C	.	.	H	α-helix	trans	-57.3	-49.7	178.7	-62.9	-8.1	0	0	0	109.6	I670 R673 Q756 N762 A763 E764	I670-D760 HydrophobicContact CD1-CB 3.62Å; R673-D760 WeakPolarHBondContact CG-OD2 3.16Å; R673-D760 IonicContact NE-OD2 3.05Å; R673-D760 PolarHBondContact NE-OD2 2.84Å; Q756-D760 PolarHBondContact NE2-OD1 2.82Å; Q756-D760 WeakPolarHBondContact O-CB 3.28Å; Q756-D760 PolarHBondContact O-N 2.93Å; D760-N762 VanDerWaalsContact C-N 3.33Å; D760-N762 PolarHBondContact O-N 2.73Å; D760-A763 WeakPolarHBondContact O-CB 3.28Å; D760-A763 PolarHBondContact O-N 2.95Å; D760-A763 VanDerWaalsContact O-N 3.13Å; D760-E764 PolarHBondContact O-N 2.88Å; D760-E764 VanDerWaalsContact O-N 3.08Å
761	C	94.1	Very high	93.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-65.6	-27	175.9	-71.5	0	0	0	0	114.6	K657 L757 L759 W765	K657-C761 HydrophobicContact CB-CB 4.34Å; L757-C761 VanDerWaalsContact O-CB 3.25Å; L757-C761 WeakPolarHBondContact O-CB 3.42Å; L757-C761 PolarHBondContact O-N 2.82Å; L757-C761 PolarHBondContact O-SG 2.87Å; L759-C761 PolarHBondContact O-N 2.94Å; C761-W765 VanDerWaalsContact O-CB 3.29Å; C761-W765 WeakPolarHBondContact O-CB 3.41Å; C761-W765 PolarHBondContact O-N 3.33Å
762	N	92.8	Very high	93.4	Very high	53 Å²	53	41.5 Å²	41.5	28%	0.283	22%	0.224	S	C	.	.	H	α-helix	trans	-72.5	-32.7	172.5	-88.9	-71.3	0	0	0	111.8	K657 V758 L759 D760 L766	K657-N762 WeakPolarHBondContact CD-OD1 3.36Å; K657-N762 PolarHBondContact NZ-OD1 3.21Å; V758-N762 WeakPolarHBondContact O-CB 3.36Å; V758-N762 PolarHBondContact O-N 3.01Å; V758-N762 PolarHBondContact O-ND2 2.8Å; L759-N762 PolarHBondContact O-N 2.9Å; L759-N762 VanDerWaalsContact O-N 3.09Å; D760-N762 VanDerWaalsContact C-N 3.33Å; D760-N762 PolarHBondContact O-N 2.73Å; N762-L766 WeakPolarHBondContact O-CG 3.2Å; N762-L766 PolarHBondContact O-N 3.11Å
763	A	92.7	Very high	93.4	Very high	61 Å²	61	40 Å²	40	50%	0.504	22%	0.219	S	C	.	.	H	α-helix	trans	-68.1	-49.1	173.7	0	0	0	0	0	111.2	L759 D760 W765 L766 G767	L759-A763 PolarHBondContact O-N 3.29Å; D760-A763 WeakPolarHBondContact O-CB 3.28Å; D760-A763 PolarHBondContact O-N 2.95Å; D760-A763 VanDerWaalsContact O-N 3.13Å; A763-W765 VanDerWaalsContact C-N 3.28Å; A763-W765 PolarHBondContact O-N 3.36Å; A763-L766 PolarHBondContact O-N 3.08Å; A763-G767 PolarHBondContact O-N 2.85Å
764	E	93.4	Very high	93.3	Very high	59 Å²	59	45.9 Å²	45.9	28%	0.276	25%	0.246	S	C	.	.	H	α-helix	trans	-60.3	-36.8	176.1	-60.3	-58.1	163.2	0	0	112.3	F661 F667 I670 D760 L766 G767 F768	F661-E764 HydrophobicContact CE2-CB 4.5Å; F667-E764 HydrophobicContact CD1-CB 4.15Å; F667-E764 HydrophobicContact CD1-CG 3.98Å; F667-E764 HydrophobicContact CE1-CB 4.01Å; F667-E764 HydrophobicContact CE1-CG 4.31Å; I670-E764 HydrophobicContact CD1-CG 3.9Å; I670-E764 HydrophobicContact CG1-CG 3.87Å; D760-E764 PolarHBondContact O-N 2.88Å; D760-E764 VanDerWaalsContact O-N 3.08Å; E764-L766 PolarHBondContact O-N 2.78Å; E764-G767 PolarHBondContact O-N 3.02Å; E764-F768 WeakPolarHBondContact O-CB 3.48Å; E764-F768 PolarHBondContact O-N 2.85Å
765	W	94.5	Very high	93.3	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.015	24%	0.244	C	C	.	.	H	α-helix	trans	-59	-44.4	172.3	175.3	-110.5	0	0	0	112.4	T593 F596 K657 L660 C761 A763 G767 F768 L769	T593-W765 HydrophobicContact CG2-CD2 4.3Å; T593-W765 HydrophobicContact CG2-CE3 4.37Å; T593-W765 HydrophobicContact CG2-CH2 3.97Å; T593-W765 HydrophobicContact CG2-CZ2 3.87Å; T593-W765 HydrophobicContact CG2-CZ3 4.22Å; F596-W765 HydrophobicContact CB-CH2 3.69Å; F596-W765 HydrophobicContact CB-CZ2 4.17Å; F596-W765 HydrophobicContact CD1-CH2 4.14Å; F596-W765 HydrophobicContact CD2-CH2 4.05Å; F596-W765 AromaticContact CG-CH2 3.69Å; F596-W765 HydrophobicContact CG-CH2 3.69Å; F596-W765 HydrophobicContact CG-CZ2 4.47Å; K657-W765 HydrophobicContact CD-CB 4.35Å; K657-W765 HydrophobicContact CD-CG 4.18Å; L660-W765 HydrophobicContact CD2-CD2 4.39Å; L660-W765 HydrophobicContact CD2-CE3 3.51Å; L660-W765 HydrophobicContact CD2-CZ3 3.65Å; C761-W765 VanDerWaalsContact O-CB 3.29Å; C761-W765 WeakPolarHBondContact O-CB 3.41Å; C761-W765 PolarHBondContact O-N 3.33Å; A763-W765 VanDerWaalsContact C-N 3.28Å; A763-W765 PolarHBondContact O-N 3.36Å; W765-G767 VanDerWaalsContact C-N 3.32Å; W765-G767 PolarHBondContact O-N 2.96Å; W765-F768 AromaticContact CE3-CD1 3.99Å; W765-F768 HydrophobicContact CE3-CD1 3.99Å; W765-F768 AromaticContact CZ3-CD1 3.76Å; W765-F768 HydrophobicContact CZ3-CD1 3.76Å; W765-F768 AromaticContact CZ3-CE1 3.96Å; W765-F768 HydrophobicContact CZ3-CE1 3.96Å; W765-F768 PolarHBondContact O-N 3.44Å; W765-L769 HydrophobicContact CD2-CG 4.22Å; W765-L769 HydrophobicContact CH2-CD2 3.72Å; W765-L769 HydrophobicContact CH2-CG 4.41Å; W765-L769 HydrophobicContact CZ2-CD1 3.92Å; W765-L769 HydrophobicContact CZ2-CD2 3.67Å; W765-L769 HydrophobicContact CZ2-CG 4Å; W765-L769 HydrophobicContact CZ3-CD2 4.15Å; W765-L769 WeakPolarHBondContact O-CG 3.24Å; W765-L769 PolarHBondContact O-N 3.08Å
766	L	93.9	Very high	93.2	Very high	77 Å²	77	43.7 Å²	43.7	40%	0.403	24%	0.238	S	C	.	.	H	α-helix	trans	-69.8	-28.2	178.5	-69.1	172.3	0	0	0	113	K589 N762 A763 E764 E770	K589-L766 HydrophobicContact CB-CD2 3.91Å; K589-L766 WeakPolarHBondContact CD-O 3.4Å; N762-L766 WeakPolarHBondContact O-CG 3.2Å; N762-L766 PolarHBondContact O-N 3.11Å; A763-L766 PolarHBondContact O-N 3.08Å; E764-L766 PolarHBondContact O-N 2.78Å; L766-E770 PolarHBondContact O-N 3.31Å
767	G	93.6	Very high	93.2	Very high	33 Å²	33	43.6 Å²	43.6	34%	0.34	24%	0.237	S	C	.	.	H	α-helix	trans	-69	-49.1	169.2	0	0	0	0	0	112	A763 E764 W765 L769 E770 N771	A763-G767 PolarHBondContact O-N 2.85Å; E764-G767 PolarHBondContact O-N 3.02Å; W765-G767 VanDerWaalsContact C-N 3.32Å; W765-G767 PolarHBondContact O-N 2.96Å; G767-L769 VanDerWaalsContact C-N 3.29Å; G767-L769 PolarHBondContact O-N 2.94Å; G767-E770 WeakPolarHBondContact O-CB 3.25Å; G767-E770 PolarHBondContact O-N 3.06Å; G767-N771 PolarHBondContact O-N 2.92Å; G767-N771 PolarHBondContact O-OD1 2.92Å
768	F	93.8	Very high	93.1	Very high	19 Å²	19	45.7 Å²	45.7	8%	0.083	25%	0.251	C	S	.	.	H	α-helix	trans	-57.2	-38.7	176.4	179.3	-98.5	0	0	0	113	F596 Y643 L647 F661 E764 W765 F772	F596-F768 AromaticContact CE1-CE1 3.72Å; F596-F768 HydrophobicContact CE1-CE1 3.72Å; F596-F768 HydrophobicContact CE1-CZ 4.28Å; F596-F768 HydrophobicContact CE2-CE1 4.3Å; F596-F768 HydrophobicContact CZ-CD1 4.41Å; F596-F768 AromaticContact CZ-CE1 3.59Å; F596-F768 HydrophobicContact CZ-CE1 3.59Å; F596-F768 HydrophobicContact CZ-CZ 4.24Å; Y643-F768 HydrophobicContact CD1-CD2 4.48Å; Y643-F768 HydrophobicContact CD1-CE1 4.45Å; Y643-F768 AromaticContact CD1-CE2 3.75Å; Y643-F768 HydrophobicContact CD1-CE2 3.75Å; Y643-F768 AromaticContact CD1-CZ 3.74Å; Y643-F768 HydrophobicContact CD1-CZ 3.74Å; Y643-F768 HydrophobicContact CE1-CE2 4.38Å; L647-F768 HydrophobicContact CD1-CE1 4.22Å; L647-F768 HydrophobicContact CD1-CZ 4.19Å; L647-F768 HydrophobicContact CD2-CE1 4.03Å; L647-F768 HydrophobicContact CD2-CZ 3.91Å; L647-F768 HydrophobicContact CG-CE1 4.42Å; L647-F768 HydrophobicContact CG-CZ 4.06Å; F661-F768 HydrophobicContact CE1-CB 4.31Å; F661-F768 HydrophobicContact CE1-CD1 4.29Å; F661-F768 AromaticContact CE1-CD2 3.79Å; F661-F768 HydrophobicContact CE1-CD2 3.79Å; F661-F768 HydrophobicContact CE1-CE2 4.09Å; F661-F768 AromaticContact CE1-CG 3.89Å; F661-F768 HydrophobicContact CE1-CG 3.89Å; F661-F768 HydrophobicContact CE1-CZ 4.46Å; F661-F768 HydrophobicContact CZ-CB 4.2Å; F661-F768 HydrophobicContact CZ-CG 4.22Å; E764-F768 WeakPolarHBondContact O-CB 3.48Å; E764-F768 PolarHBondContact O-N 2.85Å; W765-F768 AromaticContact CE3-CD1 3.99Å; W765-F768 HydrophobicContact CE3-CD1 3.99Å; W765-F768 AromaticContact CZ3-CD1 3.76Å; W765-F768 HydrophobicContact CZ3-CD1 3.76Å; W765-F768 AromaticContact CZ3-CE1 3.96Å; W765-F768 HydrophobicContact CZ3-CE1 3.96Å; W765-F768 PolarHBondContact O-N 3.44Å; F768-F772 PolarHBondContact O-N 2.96Å
769	L	94.8	Very high	93.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-70.2	-30	173.3	-67.8	-166	0	0	0	113.8	I586 K589 F596 W765 G767 G773	I586-L769 HydrophobicContact CG2-CD2 4.28Å; K589-L769 HydrophobicContact CB-CB 4.43Å; K589-L769 HydrophobicContact CB-CD1 4.16Å; K589-L769 HydrophobicContact CD-CB 4.18Å; K589-L769 HydrophobicContact CG-CB 3.92Å; K589-L769 HydrophobicContact CG-CD1 4.49Å; F596-L769 HydrophobicContact CD2-CD2 3.29Å; F596-L769 HydrophobicContact CE2-CD2 3.42Å; F596-L769 VanDerWaalsContact CE2-CD2 3.42Å; F596-L769 HydrophobicContact CG-CD2 4.26Å; F596-L769 HydrophobicContact CZ-CD2 4.45Å; W765-L769 HydrophobicContact CD2-CG 4.22Å; W765-L769 HydrophobicContact CH2-CD2 3.72Å; W765-L769 HydrophobicContact CH2-CG 4.41Å; W765-L769 HydrophobicContact CZ2-CD1 3.92Å; W765-L769 HydrophobicContact CZ2-CD2 3.67Å; W765-L769 HydrophobicContact CZ2-CG 4Å; W765-L769 HydrophobicContact CZ3-CD2 4.15Å; W765-L769 WeakPolarHBondContact O-CG 3.24Å; W765-L769 PolarHBondContact O-N 3.08Å; G767-L769 VanDerWaalsContact C-N 3.29Å; G767-L769 PolarHBondContact O-N 2.94Å; L769-G773 PolarHBondContact O-N 3.14Å; L769-G773 VanDerWaalsContact O-N 3.08Å
770	E	93.5	Very high	93.3	Very high	68 Å²	68	40.1 Å²	40.1	32%	0.318	22%	0.221	S	C	.	.	H	α-helix	trans	-69.4	-47.2	176.1	-168.2	59.4	-125.1	0	0	110.6	K475 K589 L766 G767 F772 G773 E774	K475-E770 IonicContact NZ-OE1 2.87Å; K475-E770 PolarHBondContact NZ-OE1 2.88Å; K475-E770 IonicContact NZ-OE2 3.94Å; K475-E770 PolarHBondContact NZ-OE2 2.76Å; K589-E770 HydrophobicContact CD-CB 4.19Å; K589-E770 WeakPolarHBondContact CD-OE2 3.38Å; K589-E770 WeakPolarHBondContact CE-OE2 3.29Å; K589-E770 IonicContact NZ-OE2 3.62Å; K589-E770 PolarHBondContact NZ-OE2 2.86Å; L766-E770 PolarHBondContact O-N 3.31Å; G767-E770 WeakPolarHBondContact O-CB 3.25Å; G767-E770 PolarHBondContact O-N 3.06Å; E770-F772 VanDerWaalsContact C-N 3.34Å; E770-F772 PolarHBondContact O-N 2.62Å; E770-G773 VanDerWaalsContact O-CA 3.29Å; E770-G773 WeakPolarHBondContact O-CA 3.39Å; E770-G773 PolarHBondContact O-N 2.94Å; E770-E774 PolarHBondContact O-N 2.98Å
771	N	93.1	Very high	93.3	Very high	89 Å²	89	45 Å²	45	48%	0.476	24%	0.242	S	C	.	.	H	α-helix	trans	-58.4	-43.8	176.3	-61.1	10.4	0	0	0	111.8	Y643 G767 G773 E774	Y643-N771 PolarHBondContact OH-O 2.79Å; G767-N771 PolarHBondContact O-N 2.92Å; G767-N771 PolarHBondContact O-OD1 2.92Å; N771-G773 PolarHBondContact O-N 3.3Å; N771-E774 WeakPolarHBondContact O-CB 3.21Å; N771-E774 WeakPolarHBondContact O-CG 3.35Å; N771-E774 PolarHBondContact O-N 2.78Å
772	F	94.4	Very high	93.4	Very high	4 Å²	4	45 Å²	45	2%	0.018	24%	0.242	C	C	.	.	H	α-helix	trans	-63.2	-31.7	173.6	-176.6	-88.2	0	0	0	112.3	L583 I586 F596 V600 Y643 F768 E770 E774 H775 L779	L583-F772 HydrophobicContact CD2-CE1 4.06Å; L583-F772 HydrophobicContact CD2-CZ 4.32Å; I586-F772 HydrophobicContact CD1-CE1 4.36Å; I586-F772 HydrophobicContact CG2-CD1 3.47Å; I586-F772 VanDerWaalsContact CG2-CD1 3.47Å; I586-F772 HydrophobicContact CG2-CE1 3.77Å; I586-F772 HydrophobicContact CG2-CG 4.49Å; F596-F772 HydrophobicContact CE2-CB 4.27Å; F596-F772 HydrophobicContact CE2-CD1 4.01Å; F596-F772 HydrophobicContact CE2-CD2 4.15Å; F596-F772 HydrophobicContact CE2-CE1 4.39Å; F596-F772 AromaticContact CE2-CG 3.87Å; F596-F772 HydrophobicContact CE2-CG 3.87Å; F596-F772 HydrophobicContact CZ-CB 4.45Å; F596-F772 AromaticContact CZ-CD2 3.85Å; F596-F772 HydrophobicContact CZ-CD2 3.85Å; F596-F772 HydrophobicContact CZ-CE2 4.2Å; F596-F772 HydrophobicContact CZ-CG 4.02Å; V600-F772 HydrophobicContact CG2-CE2 3.72Å; V600-F772 HydrophobicContact CG2-CZ 3.79Å; Y643-F772 HydrophobicContact CD1-CB 4.23Å; Y643-F772 AromaticContact CD1-CD2 3.87Å; Y643-F772 HydrophobicContact CD1-CD2 3.87Å; Y643-F772 AromaticContact CD2-CD2 3.76Å; Y643-F772 HydrophobicContact CD2-CD2 3.76Å; Y643-F772 HydrophobicContact CD2-CE2 4.25Å; Y643-F772 HydrophobicContact CE1-CB 3.86Å; Y643-F772 HydrophobicContact CE1-CD2 4.1Å; Y643-F772 HydrophobicContact CE2-CD2 4.01Å; Y643-F772 AromaticContact CG-CD2 3.7Å; Y643-F772 HydrophobicContact CG-CD2 3.7Å; Y643-F772 HydrophobicContact CG-CE2 4.33Å; F768-F772 PolarHBondContact O-N 2.96Å; E770-F772 VanDerWaalsContact C-N 3.34Å; E770-F772 PolarHBondContact O-N 2.62Å; F772-E774 PolarHBondContact O-N 3Å; F772-H775 PolarHBondContact O-N 3.14Å; F772-L779 HydrophobicContact CE1-CD1 3.9Å; F772-L779 HydrophobicContact CE2-CD1 4.17Å; F772-L779 HydrophobicContact CZ-CD1 3.46Å; F772-L779 VanDerWaalsContact CZ-CD1 3.46Å
773	G	91	Very high	93.5	Very high	5 Å²	5	42.7 Å²	42.7	5%	0.052	23%	0.229	C	C	.	.	H	α-helix	trans	-62.3	-23.4	178.1	0	0	0	0	0	114.5	L769 E770 N771 H775 Y776	L769-G773 PolarHBondContact O-N 3.14Å; L769-G773 VanDerWaalsContact O-N 3.08Å; E770-G773 VanDerWaalsContact O-CA 3.29Å; E770-G773 WeakPolarHBondContact O-CA 3.39Å; E770-G773 PolarHBondContact O-N 2.94Å; N771-G773 PolarHBondContact O-N 3.3Å; G773-H775 PolarHBondContact O-N 2.91Å; G773-Y776 WeakPolarHBondContact O-CB 3.41Å; G773-Y776 PolarHBondContact O-N 3.01Å; G773-Y776 VanDerWaalsContact O-N 3.16Å
774	E	90.6	Very high	93.6	Very high	143 Å²	143	43 Å²	43	67%	0.668	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-37.1	173.7	-63.1	-178.6	-176	0	0	112.1	E770 N771 F772 Y776	E770-E774 PolarHBondContact O-N 2.98Å; N771-E774 WeakPolarHBondContact O-CB 3.21Å; N771-E774 WeakPolarHBondContact O-CG 3.35Å; N771-E774 PolarHBondContact O-N 2.78Å; F772-E774 PolarHBondContact O-N 3Å; E774-Y776 VanDerWaalsContact C-N 3.3Å; E774-Y776 PolarHBondContact O-N 3.23Å
775	H	94	Very high	93.7	Very high	49 Å²	49	41.2 Å²	41.2	23%	0.227	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-2.4	-178.6	-51.1	-37.6	0	0	0	113.7	Y643 F772 G773 H777 T778 L779	Y643-H775 AromaticContact CE2-CD2 3.64Å; Y643-H775 AromaticContact CE2-NE2 3.65Å; Y643-H775 AromaticContact CZ-NE2 3.91Å; Y643-H775 PolarHBondContact OH-NE2 3.48Å; F772-H775 PolarHBondContact O-N 3.14Å; G773-H775 PolarHBondContact O-N 2.91Å; H775-H777 PolarHBondContact O-N 3.47Å; H775-T778 WeakPolarHBondContact O-CB 3.43Å; H775-T778 PolarHBondContact O-N 2.92Å; H775-L779 HydrophobicContact CB-CD1 4.43Å; H775-L779 HydrophobicContact CB-CG 4.44Å; H775-L779 WeakPolarHBondContact O-CG 3.32Å; H775-L779 PolarHBondContact O-N 3.31Å
776	Y	92.3	Very high	93.7	Very high	16 Å²	16	41.5 Å²	41.5	6%	0.063	22%	0.216	C	C	.	.	H	α-helix	trans	-49.6	-51	-171.1	169.4	-104.7	0	0	0	113.5	L583 C584 Y587 G773 E774 T778 L779 C780	L583-Y776 HydrophobicContact CB-CD2 4.23Å; L583-Y776 HydrophobicContact CB-CE2 4.11Å; C584-Y776 PolarHBondContact SG-OH 2.88Å; Y587-Y776 HydrophobicContact CD1-CD1 4.43Å; Y587-Y776 HydrophobicContact CD1-CE1 4.37Å; Y587-Y776 AromaticContact CD2-CD1 3.79Å; Y587-Y776 HydrophobicContact CD2-CD1 3.79Å; Y587-Y776 AromaticContact CD2-CD2 3.93Å; Y587-Y776 HydrophobicContact CD2-CD2 3.93Å; Y587-Y776 HydrophobicContact CD2-CE1 4.49Å; Y587-Y776 AromaticContact CD2-CG 3.47Å; Y587-Y776 HydrophobicContact CD2-CG 3.47Å; Y587-Y776 VanDerWaalsContact CD2-CG 3.47Å; Y587-Y776 HydrophobicContact CE1-CD1 4.49Å; Y587-Y776 HydrophobicContact CE1-CE1 4.49Å; Y587-Y776 AromaticContact CE2-CD1 3.84Å; Y587-Y776 HydrophobicContact CE2-CD1 3.84Å; Y587-Y776 AromaticContact CE2-CG 3.94Å; Y587-Y776 HydrophobicContact CE2-CG 3.94Å; Y587-Y776 HydrophobicContact CG-CD1 4.08Å; Y587-Y776 AromaticContact CG-CD2 3.86Å; Y587-Y776 HydrophobicContact CG-CD2 3.86Å; Y587-Y776 HydrophobicContact CG-CE1 4.36Å; Y587-Y776 HydrophobicContact CG-CE2 4.14Å; Y587-Y776 AromaticContact CG-CG 3.83Å; Y587-Y776 HydrophobicContact CG-CG 3.83Å; G773-Y776 WeakPolarHBondContact O-CB 3.41Å; G773-Y776 PolarHBondContact O-N 3.01Å; G773-Y776 VanDerWaalsContact O-N 3.16Å; E774-Y776 VanDerWaalsContact C-N 3.3Å; E774-Y776 PolarHBondContact O-N 3.23Å; Y776-T778 VanDerWaalsContact C-N 3.34Å; Y776-T778 PolarHBondContact O-N 3.5Å; Y776-L779 PolarHBondContact O-N 3.32Å; Y776-C780 WeakPolarHBondContact CE2-SG 3.49Å; Y776-C780 VanDerWaalsContact CZ-SG 3.52Å; Y776-C780 PolarHBondContact O-N 3.1Å; Y776-C780 PolarHBondContact O-SG 3.37Å
777	H	91.2	Very high	93.9	Very high	54 Å²	54	38 Å²	38	25%	0.25	20%	0.198	C	C	.	.	H	α-helix	trans	-67.5	-33.1	-177.4	-58.5	-86.5	0	0	0	112.7	K479 H775 C780 K781	K479-H777 WeakPolarHBondContact CD-NE2 3.33Å; H775-H777 PolarHBondContact O-N 3.47Å; H777-C780 PolarHBondContact O-N 3.32Å; H777-K781 PolarHBondContact O-N 2.99Å
778	T	93.8	Very high	94.1	Very high	57 Å²	57	37.1 Å²	37.1	35%	0.35	19%	0.186	S	C	.	.	H	α-helix	trans	-65.5	-43.8	174.7	-48.3	0	0	0	0	110.8	L636 H775 Y776 K781 A782	L636-T778 HydrophobicContact CB-CG2 4.14Å; L636-T778 HydrophobicContact CD2-CG2 3.59Å; L636-T778 HydrophobicContact CG-CG2 4.49Å; H775-T778 WeakPolarHBondContact O-CB 3.43Å; H775-T778 PolarHBondContact O-N 2.92Å; Y776-T778 VanDerWaalsContact C-N 3.34Å; Y776-T778 PolarHBondContact O-N 3.5Å; T778-K781 PolarHBondContact O-N 3.38Å; T778-A782 PolarHBondContact O-N 3.17Å
779	L	94.8	Very high	94.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-69	-35.4	176	-59.3	178.8	0	0	0	111.9	L583 L637 V640 F772 H775 Y776 A782 V783	L583-L779 HydrophobicContact CD1-CB 3.83Å; L583-L779 HydrophobicContact CD2-CB 4.13Å; L583-L779 HydrophobicContact CD2-CD1 3.84Å; L637-L779 HydrophobicContact CD2-CD2 3.82Å; V640-L779 HydrophobicContact CG2-CD1 4.33Å; V640-L779 HydrophobicContact CG2-CD2 3.56Å; F772-L779 HydrophobicContact CE1-CD1 3.9Å; F772-L779 HydrophobicContact CE2-CD1 4.17Å; F772-L779 HydrophobicContact CZ-CD1 3.46Å; F772-L779 VanDerWaalsContact CZ-CD1 3.46Å; H775-L779 HydrophobicContact CB-CD1 4.43Å; H775-L779 HydrophobicContact CB-CG 4.44Å; H775-L779 WeakPolarHBondContact O-CG 3.32Å; H775-L779 PolarHBondContact O-N 3.31Å; Y776-L779 PolarHBondContact O-N 3.32Å; L779-A782 WeakPolarHBondContact O-CB 3.24Å; L779-A782 PolarHBondContact O-N 2.86Å; L779-V783 WeakPolarHBondContact O-CG2 3.48Å; L779-V783 PolarHBondContact O-N 3.25Å
780	C	93.1	Very high	94.3	Very high	32 Å²	32	36.5 Å²	36.5	22%	0.216	18%	0.184	C	C	.	.	H	α-helix	trans	-65.2	-37.1	174.5	-67.3	0	0	0	0	112.4	Y776 H777 A782 V783 D784	Y776-C780 WeakPolarHBondContact CE2-SG 3.49Å; Y776-C780 VanDerWaalsContact CZ-SG 3.52Å; Y776-C780 PolarHBondContact O-N 3.1Å; Y776-C780 PolarHBondContact O-SG 3.37Å; H777-C780 PolarHBondContact O-N 3.32Å; C780-A782 VanDerWaalsContact C-N 3.34Å; C780-A782 PolarHBondContact O-N 3.31Å; C780-V783 PolarHBondContact O-N 2.93Å; C780-D784 WeakPolarHBondContact O-CB 3.42Å; C780-D784 PolarHBondContact O-N 3.41Å
781	K	93.8	Very high	94.5	Very high	123 Å²	123	33.3 Å²	33.3	54%	0.535	17%	0.169	S	C	.	.	H	α-helix	trans	-59.5	-44	170.7	-75.7	-177	173.8	-168.6	0	111.9	L636 H777 T778 V783 D784 H785	L636-K781 HydrophobicContact CD1-CB 3.83Å; H777-K781 PolarHBondContact O-N 2.99Å; T778-K781 PolarHBondContact O-N 3.38Å; K781-V783 VanDerWaalsContact C-N 3.32Å; K781-V783 PolarHBondContact O-N 3.3Å; K781-D784 WeakPolarHBondContact O-CB 3.43Å; K781-D784 PolarHBondContact O-N 3.07Å; K781-D784 VanDerWaalsContact O-N 3.15Å; K781-H785 VanDerWaalsContact O-CG 3.29Å; K781-H785 PolarHBondContact O-N 3.44Å; K781-H785 PolarHBondContact O-ND1 3.37Å; K781-H785 VanDerWaalsContact O-ND1 3.15Å
782	A	95.6	Very high	94.7	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60.8	-41.3	176.1	0	0	0	0	0	111.9	L636 L637 T778 L779 C780 H785 L786	L636-A782 HydrophobicContact CB-CB 3.88Å; L636-A782 HydrophobicContact CD1-CB 4.15Å; L637-A782 HydrophobicContact CD2-CB 3.63Å; L637-A782 HydrophobicContact CG-CB 3.86Å; T778-A782 PolarHBondContact O-N 3.17Å; L779-A782 WeakPolarHBondContact O-CB 3.24Å; L779-A782 PolarHBondContact O-N 2.86Å; C780-A782 VanDerWaalsContact C-N 3.34Å; C780-A782 PolarHBondContact O-N 3.31Å; A782-H785 PolarHBondContact O-N 3.1Å; A782-L786 VanDerWaalsContact O-CG 3.28Å; A782-L786 WeakPolarHBondContact O-CG 3.43Å; A782-L786 PolarHBondContact O-N 3.04Å; A782-L786 VanDerWaalsContact O-N 3.09Å
783	V	95.5	Very high	94.9	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.018	15%	0.147	C	C	.	.	H	α-helix	trans	-64.8	-39.6	174	177.3	0	0	0	0	111.9	F529 V579 E580 L583 L779 C780 K781 H785 L786 A787	F529-V783 HydrophobicContact CB-CG1 4.25Å; F529-V783 HydrophobicContact CD1-CG1 4.16Å; F529-V783 HydrophobicContact CD2-CG1 3.97Å; F529-V783 HydrophobicContact CE1-CG1 4.5Å; F529-V783 HydrophobicContact CE2-CG1 4.31Å; F529-V783 HydrophobicContact CG-CG1 3.88Å; V579-V783 HydrophobicContact CB-CG2 4.19Å; V579-V783 HydrophobicContact CG1-CG2 3.57Å; E580-V783 HydrophobicContact CB-CG1 4.07Å; E580-V783 HydrophobicContact CG-CG1 4.49Å; L583-V783 HydrophobicContact CD1-CG2 3.92Å; L779-V783 WeakPolarHBondContact O-CG2 3.48Å; L779-V783 PolarHBondContact O-N 3.25Å; C780-V783 PolarHBondContact O-N 2.93Å; K781-V783 VanDerWaalsContact C-N 3.32Å; K781-V783 PolarHBondContact O-N 3.3Å; V783-H785 VanDerWaalsContact C-N 3.32Å; V783-H785 PolarHBondContact O-N 3.45Å; V783-L786 PolarHBondContact O-N 3.19Å; V783-A787 WeakPolarHBondContact O-CB 3.35Å; V783-A787 PolarHBondContact O-N 2.92Å
784	D	94.8	Very high	95.2	Very high	69 Å²	69	29 Å²	29	37%	0.369	15%	0.145	S	C	.	.	H	α-helix	trans	-64.1	-35.1	176.2	-174.2	73.9	0	0	0	112.6	K533 C780 K781 A787 T788	K533-D784 PolarHBondContact NZ-O 3.29Å; K533-D784 IonicContact NZ-OD1 3.23Å; K533-D784 PolarHBondContact NZ-OD1 2.91Å; K533-D784 IonicContact NZ-OD2 3.38Å; K533-D784 PolarHBondContact NZ-OD2 3.01Å; C780-D784 WeakPolarHBondContact O-CB 3.42Å; C780-D784 PolarHBondContact O-N 3.41Å; K781-D784 WeakPolarHBondContact O-CB 3.43Å; K781-D784 PolarHBondContact O-N 3.07Å; K781-D784 VanDerWaalsContact O-N 3.15Å; D784-A787 PolarHBondContact O-N 3.31Å; D784-T788 PolarHBondContact O-N 3.33Å; D784-T788 PolarHBondContact O-OG1 2.96Å
785	H	95.5	Very high	95.5	Very high	20 Å²	20	22.2 Å²	22.2	9%	0.093	11%	0.113	C	C	.	.	H	α-helix	trans	-65.8	-46.6	172	-62.3	-2.1	0	0	0	111.8	L629 E632 K781 A782 V783 A787 T788 V789	L629-H785 HydrophobicContact CB-CB 4.27Å; L629-H785 HydrophobicContact CD2-CB 3.9Å; L629-H785 WeakPolarHBondContact CD2-ND1 3.48Å; E632-H785 IonicContact OE1-NE2 2.79Å; E632-H785 IonicContact OE2-NE2 3.99Å; K781-H785 VanDerWaalsContact O-CG 3.29Å; K781-H785 PolarHBondContact O-N 3.44Å; K781-H785 PolarHBondContact O-ND1 3.37Å; K781-H785 VanDerWaalsContact O-ND1 3.15Å; A782-H785 PolarHBondContact O-N 3.1Å; V783-H785 VanDerWaalsContact C-N 3.32Å; V783-H785 PolarHBondContact O-N 3.45Å; H785-A787 VanDerWaalsContact C-N 3.28Å; H785-A787 PolarHBondContact O-N 2.96Å; H785-T788 WeakPolarHBondContact O-CB 3.34Å; H785-T788 PolarHBondContact O-N 3.24Å; H785-T788 VanDerWaalsContact O-N 3.13Å; H785-V789 WeakPolarHBondContact O-CG2 3.3Å; H785-V789 PolarHBondContact O-N 3.04Å
786	L	95.8	Very high	95.6	Very high	11 Å²	11	20 Å²	20	6%	0.058	10%	0.103	C	C	.	.	H	α-helix	trans	-61.2	-38.9	175.6	-63.2	163.4	0	0	0	111.6	F529 L573 L606 L610 A782 V783 V789 D790	F529-L786 HydrophobicContact CE2-CB 3.9Å; L573-L786 HydrophobicContact CD2-CD2 4.4Å; L606-L786 HydrophobicContact CD1-CD2 4.4Å; L606-L786 HydrophobicContact CD2-CD1 3.33Å; L606-L786 HydrophobicContact CD2-CD2 3.85Å; L606-L786 HydrophobicContact CD2-CG 4.22Å; L610-L786 HydrophobicContact CD1-CD2 4.4Å; A782-L786 VanDerWaalsContact O-CG 3.28Å; A782-L786 WeakPolarHBondContact O-CG 3.43Å; A782-L786 PolarHBondContact O-N 3.04Å; A782-L786 VanDerWaalsContact O-N 3.09Å; V783-L786 PolarHBondContact O-N 3.19Å; L786-V789 PolarHBondContact O-N 3.03Å; L786-D790 WeakPolarHBondContact O-CB 3.24Å; L786-D790 PolarHBondContact O-N 3.14Å
787	A	96.7	Very high	95.8	Very high	4 Å²	4	22.6 Å²	22.6	3%	0.033	12%	0.115	C	C	.	.	H	α-helix	trans	-61.7	-41.5	174.1	0	0	0	0	0	111.6	F529 K533 V783 D784 H785 C791	F529-A787 HydrophobicContact CD2-CB 3.89Å; K533-A787 HydrophobicContact CB-CB 4Å; K533-A787 HydrophobicContact CD-CB 3.5Å; K533-A787 VanDerWaalsContact CD-CB 3.5Å; K533-A787 HydrophobicContact CG-CB 4.39Å; V783-A787 WeakPolarHBondContact O-CB 3.35Å; V783-A787 PolarHBondContact O-N 2.92Å; D784-A787 PolarHBondContact O-N 3.31Å; H785-A787 VanDerWaalsContact C-N 3.28Å; H785-A787 PolarHBondContact O-N 2.96Å; A787-C791 WeakPolarHBondContact O-CB 3.24Å; A787-C791 PolarHBondContact O-N 3.05Å; A787-C791 PolarHBondContact O-SG 3Å
788	T	97.2	Very high	96	Very high	13 Å²	13	20.1 Å²	20.1	8%	0.08	10%	0.103	C	C	.	.	H	α-helix	trans	-61.9	-46.9	173.4	-58.4	0	0	0	0	111.3	K533 W537 L629 D784 H785 D790 C791 I792	K533-T788 VanDerWaalsContact CE-OG1 3.28Å; K533-T788 WeakPolarHBondContact CE-OG1 3.39Å; K533-T788 PolarHBondContact NZ-OG1 3.02Å; W537-T788 HydrophobicContact CH2-CG2 4.06Å; W537-T788 HydrophobicContact CZ2-CG2 4Å; L629-T788 HydrophobicContact CD1-CG2 3.45Å; L629-T788 VanDerWaalsContact CD1-CG2 3.45Å; D784-T788 PolarHBondContact O-N 3.33Å; D784-T788 PolarHBondContact O-OG1 2.96Å; H785-T788 WeakPolarHBondContact O-CB 3.34Å; H785-T788 PolarHBondContact O-N 3.24Å; H785-T788 VanDerWaalsContact O-N 3.13Å; T788-D790 PolarHBondContact O-N 3.49Å; T788-C791 WeakPolarHBondContact O-CB 3.33Å; T788-C791 PolarHBondContact O-N 3.28Å; T788-I792 WeakPolarHBondContact O-CG1 3.17Å; T788-I792 PolarHBondContact O-N 3.32Å
789	V	96.4	Very high	96	Very high	6 Å²	6	17.9 Å²	17.9	4%	0.036	9%	0.091	C	C	.	.	H	α-helix	trans	-60.3	-48.2	180	172.6	0	0	0	0	110.4	I569 L573 L626 L629 I630 H785 L786 C791 I792 F793	I569-V789 HydrophobicContact CG2-CG1 4.02Å; L573-V789 HydrophobicContact CD1-CG1 4.42Å; L626-V789 HydrophobicContact CD2-CG2 4.24Å; L629-V789 HydrophobicContact CB-CG2 4.44Å; I630-V789 HydrophobicContact CG1-CG2 4.13Å; H785-V789 WeakPolarHBondContact O-CG2 3.3Å; H785-V789 PolarHBondContact O-N 3.04Å; L786-V789 PolarHBondContact O-N 3.03Å; V789-C791 VanDerWaalsContact C-N 3.31Å; V789-C791 PolarHBondContact O-N 3.38Å; V789-I792 PolarHBondContact O-N 3.39Å; V789-I792 VanDerWaalsContact O-N 3.14Å; V789-F793 HydrophobicContact CG1-CD2 3.69Å; V789-F793 HydrophobicContact CG1-CE2 3.65Å; V789-F793 WeakPolarHBondContact O-CD2 3.31Å; V789-F793 PolarHBondContact O-N 3.43Å
790	D	97.7	Very high	96	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-61.6	-35.8	176.7	-165.4	26.5	0	0	0	112.4	T525 K526 T527 L573 L786 T788 F793 S794	T525-D790 WeakPolarHBondContact CB-OD2 3.45Å; K526-D790 VanDerWaalsContact N-CG 3.35Å; K526-D790 PolarHBondContact N-OD1 3.4Å; K526-D790 PolarHBondContact N-OD2 2.93Å; T527-D790 WeakPolarHBondContact CA-OD2 3.48Å; T527-D790 WeakPolarHBondContact CB-OD2 3.28Å; T527-D790 PolarHBondContact N-OD2 2.87Å; T527-D790 PolarHBondContact OG1-OD2 3.41Å; L573-D790 HydrophobicContact CD1-CB 3.99Å; L786-D790 WeakPolarHBondContact O-CB 3.24Å; L786-D790 PolarHBondContact O-N 3.14Å; T788-D790 PolarHBondContact O-N 3.49Å; D790-F793 PolarHBondContact O-N 3.26Å; D790-S794 WeakPolarHBondContact O-CB 3.07Å; D790-S794 PolarHBondContact O-N 3.41Å
791	C	97.9	Very high	95.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.7	-44.2	171.7	-67.6	0	0	0	0	112.5	G530 L534 W537 A787 T788 V789 S794 L795	G530-C791 PolarHBondContact O-SG 2.82Å; G530-C791 VanDerWaalsContact O-SG 3.41Å; L534-C791 PolarHBondContact N-SG 3.25Å; W537-C791 HydrophobicContact CD2-CB 4.42Å; W537-C791 HydrophobicContact CE3-CB 3.92Å; W537-C791 HydrophobicContact CH2-CB 3.66Å; W537-C791 HydrophobicContact CZ2-CB 4.18Å; W537-C791 HydrophobicContact CZ3-CB 3.51Å; A787-C791 WeakPolarHBondContact O-CB 3.24Å; A787-C791 PolarHBondContact O-N 3.05Å; A787-C791 PolarHBondContact O-SG 3Å; T788-C791 WeakPolarHBondContact O-CB 3.33Å; T788-C791 PolarHBondContact O-N 3.28Å; V789-C791 VanDerWaalsContact C-N 3.31Å; V789-C791 PolarHBondContact O-N 3.38Å; C791-S794 VanDerWaalsContact O-CB 3.3Å; C791-S794 WeakPolarHBondContact O-CB 3.46Å; C791-S794 PolarHBondContact O-N 3.09Å; C791-L795 WeakPolarHBondContact O-CG 3.45Å; C791-L795 PolarHBondContact O-N 3.06Å
792	I	97.7	Very high	94.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.9	-43.4	176.6	-63.7	-61.3	0	0	0	110.9	W537 R551 A554 V555 V558 L626 T788 V789 S794 L795 A796	W537-I792 HydrophobicContact CH2-CD1 3.93Å; W537-I792 HydrophobicContact CH2-CG1 4.3Å; W537-I792 HydrophobicContact CZ3-CD1 4.04Å; R551-I792 HydrophobicContact CB-CD1 4.23Å; R551-I792 HydrophobicContact CG-CD1 4.27Å; A554-I792 HydrophobicContact CB-CD1 4.03Å; A554-I792 HydrophobicContact CB-CG1 4.23Å; A554-I792 HydrophobicContact CB-CG2 3.89Å; V555-I792 HydrophobicContact CG2-CD1 4.3Å; V555-I792 HydrophobicContact CG2-CG2 4.05Å; V558-I792 HydrophobicContact CG2-CG2 4.17Å; L626-I792 HydrophobicContact CD1-CG2 4.27Å; L626-I792 HydrophobicContact CD2-CB 4.24Å; L626-I792 HydrophobicContact CD2-CG1 4.26Å; L626-I792 HydrophobicContact CD2-CG2 4.17Å; T788-I792 WeakPolarHBondContact O-CG1 3.17Å; T788-I792 PolarHBondContact O-N 3.32Å; V789-I792 PolarHBondContact O-N 3.39Å; V789-I792 VanDerWaalsContact O-N 3.14Å; I792-S794 VanDerWaalsContact C-N 3.28Å; I792-S794 PolarHBondContact O-N 3.4Å; I792-L795 PolarHBondContact O-N 2.96Å; I792-A796 WeakPolarHBondContact O-CB 3.43Å; I792-A796 PolarHBondContact O-N 3.31Å
793	F	96.6	Very high	94.1	Very high	8 Å²	8	29.6 Å²	29.6	4%	0.035	16%	0.163	C	C	.	.	H	α-helix	trans	-59.2	-39.6	172.6	-88.5	-81.7	0	0	0	111.8	V558 F566 I569 E570 L573 V789 D790 A796 K797	V558-F793 HydrophobicContact CG1-CD1 3.96Å; V558-F793 HydrophobicContact CG1-CE1 3.99Å; F566-F793 HydrophobicContact CB-CE1 4.02Å; F566-F793 HydrophobicContact CB-CZ 3.93Å; F566-F793 HydrophobicContact CD1-CE1 4.45Å; F566-F793 HydrophobicContact CD1-CE2 4.49Å; F566-F793 AromaticContact CD1-CZ 3.82Å; F566-F793 HydrophobicContact CD1-CZ 3.82Å; F566-F793 HydrophobicContact CG-CZ 4.38Å; F566-F793 VanDerWaalsContact O-CE1 3.31Å; F566-F793 WeakPolarHBondContact O-CE1 3.45Å; F566-F793 WeakPolarHBondContact O-CZ 3.29Å; I569-F793 HydrophobicContact CB-CE2 4.28Å; I569-F793 HydrophobicContact CB-CZ 4.15Å; I569-F793 HydrophobicContact CG2-CE2 3.69Å; I569-F793 HydrophobicContact CG2-CZ 4.07Å; E570-F793 HydrophobicContact CB-CD1 4.26Å; E570-F793 HydrophobicContact CB-CE1 4.03Å; E570-F793 HydrophobicContact CG-CD1 4.41Å; L573-F793 HydrophobicContact CD1-CD2 4.35Å; V789-F793 HydrophobicContact CG1-CD2 3.69Å; V789-F793 HydrophobicContact CG1-CE2 3.65Å; V789-F793 WeakPolarHBondContact O-CD2 3.31Å; V789-F793 PolarHBondContact O-N 3.43Å; D790-F793 PolarHBondContact O-N 3.26Å; F793-A796 PolarHBondContact O-N 3.12Å; F793-K797 WeakPolarHBondContact O-CG 3.45Å; F793-K797 PolarHBondContact O-N 3.26Å
794	S	97.7	Very high	94.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-59.4	-53.2	175.3	-164.7	0	0	0	0	111.6	L522 H524 T525 D790 C791 I792 A796 K797 V798	L522-S794 PolarHBondContact O-OG 3.1Å; H524-S794 WeakPolarHBondContact CA-OG 3.48Å; H524-S794 PolarHBondContact N-OG 3.16Å; T525-S794 PolarHBondContact N-OG 2.99Å; D790-S794 WeakPolarHBondContact O-CB 3.07Å; D790-S794 PolarHBondContact O-N 3.41Å; C791-S794 VanDerWaalsContact O-CB 3.3Å; C791-S794 WeakPolarHBondContact O-CB 3.46Å; C791-S794 PolarHBondContact O-N 3.09Å; I792-S794 VanDerWaalsContact C-N 3.28Å; I792-S794 PolarHBondContact O-N 3.4Å; S794-A796 VanDerWaalsContact C-N 3.29Å; S794-A796 PolarHBondContact O-N 3.33Å; S794-K797 WeakPolarHBondContact O-CB 3.46Å; S794-K797 PolarHBondContact O-N 3.09Å; S794-V798 PolarHBondContact O-N 3.43Å; S794-V798 VanDerWaalsContact O-N 3.12Å
795	L	97.6	Very high	94.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.1	-33.8	177.9	-63	-177.1	0	0	0	112.2	L522 L534 W537 V555 C791 I792 V798 A799 I876	L522-L795 HydrophobicContact CD2-CD2 4.17Å; L534-L795 HydrophobicContact CD1-CD2 4.27Å; W537-L795 HydrophobicContact CE3-CD1 4.33Å; W537-L795 HydrophobicContact CZ3-CD1 4.14Å; V555-L795 HydrophobicContact CG2-CB 3.77Å; V555-L795 HydrophobicContact CG2-CD1 4.49Å; C791-L795 WeakPolarHBondContact O-CG 3.45Å; C791-L795 PolarHBondContact O-N 3.06Å; I792-L795 PolarHBondContact O-N 2.96Å; L795-V798 WeakPolarHBondContact O-CB 3.4Å; L795-V798 PolarHBondContact O-N 3.43Å; L795-A799 WeakPolarHBondContact O-CB 3.19Å; L795-A799 PolarHBondContact O-N 3.05Å; L795-I876 HydrophobicContact CD1-CG2 4.22Å
796	A	96.4	Very high	94.3	Very high	4 Å²	4	31.4 Å²	31.4	3%	0.033	17%	0.166	C	C	.	.	H	α-helix	trans	-68.8	-29.3	172.2	0	0	0	0	0	113.2	V555 V558 L559 I792 F793 S794 K800	V555-A796 HydrophobicContact CG1-CB 4.27Å; V558-A796 HydrophobicContact CB-CB 3.98Å; V558-A796 HydrophobicContact CG1-CB 3.57Å; L559-A796 HydrophobicContact CD2-CB 4.49Å; L559-A796 WeakPolarHBondContact CD2-O 3.39Å; L559-A796 HydrophobicContact CG-CB 4.39Å; I792-A796 WeakPolarHBondContact O-CB 3.43Å; I792-A796 PolarHBondContact O-N 3.31Å; F793-A796 PolarHBondContact O-N 3.12Å; S794-A796 VanDerWaalsContact C-N 3.29Å; S794-A796 PolarHBondContact O-N 3.33Å; A796-K800 WeakPolarHBondContact O-CB 3.18Å; A796-K800 PolarHBondContact O-N 2.84Å
797	K	95.5	Very high	94.3	Very high	69 Å²	69	30.9 Å²	30.9	30%	0.3	16%	0.164	S	C	.	.	H	α-helix	trans	-68.6	-37.9	169	-63.9	-44.7	179.6	-170.9	0	111.6	H524 E570 F793 S794 Q801	H524-K797 HydrophobicContact CB-CB 3.85Å; H524-K797 HydrophobicContact CB-CG 4.16Å; E570-K797 IonicContact OE1-NZ 3.52Å; E570-K797 WeakPolarHBondContact OE2-CE 3.25Å; E570-K797 IonicContact OE2-NZ 3.61Å; E570-K797 PolarHBondContact OE2-NZ 3.39Å; F793-K797 WeakPolarHBondContact O-CG 3.45Å; F793-K797 PolarHBondContact O-N 3.26Å; S794-K797 WeakPolarHBondContact O-CB 3.46Å; S794-K797 PolarHBondContact O-N 3.09Å; K797-Q801 PolarHBondContact O-NE2 2.91Å
798	V	95.4	Very high	94.4	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.012	18%	0.183	C	C	.	.	H	α-helix	trans	-62.6	-52.8	173.9	-176.3	0	0	0	0	110	L522 S794 L795 K800 Q801 Y804	L522-V798 HydrophobicContact CD2-CG1 4.16Å; L522-V798 HydrophobicContact CD2-CG2 4.06Å; S794-V798 PolarHBondContact O-N 3.43Å; S794-V798 VanDerWaalsContact O-N 3.12Å; L795-V798 WeakPolarHBondContact O-CB 3.4Å; L795-V798 PolarHBondContact O-N 3.43Å; V798-K800 PolarHBondContact O-N 2.7Å; V798-K800 VanDerWaalsContact O-N 3.07Å; V798-Q801 WeakPolarHBondContact O-CB 3.41Å; V798-Q801 PolarHBondContact O-N 3.02Å; V798-Y804 HydrophobicContact CG1-CD1 4.2Å; V798-Y804 HydrophobicContact CG1-CE1 3.51Å
799	A	95.3	Very high	94.3	Very high	11 Å²	11	34.3 Å²	34.3	9%	0.091	18%	0.183	C	C	.	.	H	α-helix	trans	-62.4	-17.3	-177.9	0	0	0	0	0	114.8	V555 L559 L795 Y879	V555-A799 HydrophobicContact CG1-CB 4.09Å; L559-A799 HydrophobicContact CD1-CB 3.66Å; L559-A799 HydrophobicContact CD2-CB 4.16Å; L559-A799 HydrophobicContact CG-CB 4.41Å; L795-A799 WeakPolarHBondContact O-CB 3.19Å; L795-A799 PolarHBondContact O-N 3.05Å; A799-Y879 HydrophobicContact CB-CD1 4.08Å; A799-Y879 HydrophobicContact CB-CD2 3.74Å; A799-Y879 HydrophobicContact CB-CE2 4.39Å; A799-Y879 HydrophobicContact CB-CG 3.56Å
800	K	93.4	Very high	94.2	Very high	155 Å²	155	36.8 Å²	36.8	67%	0.674	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.6	0.1	175.6	-166	155.1	-174.2	154.8	0	113.5	L559 A796 V798	L559-K800 HydrophobicContact CD2-CB 3.86Å; L559-K800 HydrophobicContact CD2-CD 4.46Å; L559-K800 HydrophobicContact CD2-CG 4.49Å; A796-K800 WeakPolarHBondContact O-CB 3.18Å; A796-K800 PolarHBondContact O-N 2.84Å; V798-K800 PolarHBondContact O-N 2.7Å; V798-K800 VanDerWaalsContact O-N 3.07Å
801	Q	83.4	Confident	93.8	Very high	86 Å²	86	42.5 Å²	42.5	40%	0.402	22%	0.221	S	C	.	.	S	Bend	trans	-103.8	127.9	178.4	-69.9	166.2	77.7	0	0	110.9	H524 K797 V798 Y804	H524-Q801 PolarHBondContact NE2-NE2 2.87Å; K797-Q801 PolarHBondContact O-NE2 2.91Å; V798-Q801 WeakPolarHBondContact O-CB 3.41Å; V798-Q801 PolarHBondContact O-N 3.02Å; Q801-Y804 WeakPolarHBondContact O-CD2 3.27Å
802	G	74.3	Confident	93.4	Very high	66 Å²	66	48.8 Å²	48.8	68%	0.68	25%	0.25	S	S	*	.	S	Bend	trans	58.6	-157.3	171.5	0	0	0	0	0	115.1	Y804	G802-Y804 PolarHBondContact O-N 2.88Å; G802-Y804 VanDerWaalsContact O-N 3.11Å
803	N	85.8	Confident	92.9	Very high	94 Å²	94	49.8 Å²	49.8	50%	0.503	26%	0.255	S	S	.	.	S	Bend	trans	-86.3	77.3	-177.9	-61.1	-53.1	0	0	0	110.3	R821 E831 A882	N803-R821 VanDerWaalsContact O-CZ 3.32Å; N803-R821 PolarHBondContact O-NH1 3.31Å; N803-R821 PolarHBondContact O-NH2 3.37Å; N803-E831 PolarHBondContact ND2-OE1 2.94Å; N803-A882 PolarHBondContact O-N 3.37Å
804	Y	95.1	Very high	92.8	Very high	29 Å²	29	51.6 Å²	51.6	11%	0.114	26%	0.263	C	S	.	.			trans	-110.4	129	178	-91.6	-117.3	0	0	0	111.4	V798 Q801 G802 M873 V880 P881	V798-Y804 HydrophobicContact CG1-CD1 4.2Å; V798-Y804 HydrophobicContact CG1-CE1 3.51Å; Q801-Y804 WeakPolarHBondContact O-CD2 3.27Å; G802-Y804 PolarHBondContact O-N 2.88Å; G802-Y804 VanDerWaalsContact O-N 3.11Å; Y804-M873 HydrophobicContact CE1-CE 3.77Å; Y804-V880 CarbonylContact C-O 3.55Å; Y804-V880 VanDerWaalsContact CA-O 3.29Å; Y804-V880 WeakPolarHBondContact CA-O 3.5Å; Y804-P881 HydrophobicContact CD2-CB 4.1Å; Y804-P881 HydrophobicContact CE1-CB 4.22Å; Y804-P881 HydrophobicContact CE1-CG 4.39Å; Y804-P881 HydrophobicContact CE2-CB 3.63Å
805	C	95.9	Very high	92.8	Very high	19 Å²	19	51.6 Å²	51.6	13%	0.128	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-108.7	153.8	-179	74.2	0	0	0	0	112.8	P807 Y879 V880 A882 E883	C805-P807 VanDerWaalsContact O-CD 3.31Å; C805-P807 WeakPolarHBondContact O-CD 3.42Å; C805-Y879 VanDerWaalsContact C-CD2 3.44Å; C805-Y879 WeakPolarHBondContact O-CA 3.22Å; C805-Y879 WeakPolarHBondContact O-CB 3.39Å; C805-V880 PolarHBondContact N-O 3.08Å; C805-V880 PolarHBondContact O-N 3.09Å; C805-A882 WeakPolarHBondContact CB-O 3.38Å; C805-A882 PolarHBondContact N-O 2.7Å; C805-E883 WeakPolarHBondContact CB-O 3.28Å
806	R	97.7	Very high	92.8	Very high	82 Å²	82	53.6 Å²	53.6	31%	0.309	27%	0.273	S	S	.	.			trans	-73.1	114.7	167.4	-171.1	-174.9	177.4	-70.5	4.4	108.4	N549 L552 D553 Y879	N549-R806 PolarHBondContact OD1-NH2 3.12Å; L552-R806 HydrophobicContact CD2-CG 4.46Å; D553-R806 IonicContact OD1-CZ 2.81Å; D553-R806 IonicContact OD1-NE 3.8Å; D553-R806 IonicContact OD1-NH2 3.79Å; D553-R806 PolarHBondContact OD1-NH2 2.88Å; R806-Y879 HydrophobicContact CB-CD1 4.27Å; R806-Y879 HydrophobicContact CB-CD2 4.42Å; R806-Y879 HydrophobicContact CB-CE1 3.79Å; R806-Y879 HydrophobicContact CB-CE2 3.96Å; R806-Y879 HydrophobicContact CG-CD1 4.43Å; R806-Y879 HydrophobicContact CG-CE1 3.85Å
807	P	97.6	Very high	92.8	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.272	C	S	.	.			trans	-67.5	145	177.8	28.8	-35.8	0	0	0	111.2	L552 C805 L809 A874 S878 V880 A885	L552-P807 HydrophobicContact CD1-CG 4.18Å; L552-P807 HydrophobicContact CD2-CG 4.01Å; C805-P807 VanDerWaalsContact O-CD 3.31Å; C805-P807 WeakPolarHBondContact O-CD 3.42Å; P807-L809 HydrophobicContact CB-CD2 3.78Å; P807-L809 HydrophobicContact CG-CD2 3.81Å; P807-A874 HydrophobicContact CB-CB 3.97Å; P807-A874 HydrophobicContact CG-CB 3.9Å; P807-S878 WeakPolarHBondContact CG-O 3.22Å; P807-V880 HydrophobicContact CB-CG2 4.27Å; P807-V880 HydrophobicContact CG-CG1 4.28Å; P807-A885 WeakPolarHBondContact CA-O 3.45Å; P807-A885 HydrophobicContact CB-CB 4.21Å
808	T	97.6	Very high	92.8	Very high	72 Å²	72	54.8 Å²	54.8	44%	0.442	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	113.7	170.6	-62.9	0	0	0	0	108.9	A885 T886 I887	T808-A885 PolarHBondContact N-O 2.62Å; T808-T886 CarbonylContact O-C 3.55Å; T808-T886 WeakPolarHBondContact O-CA 3.29Å; T808-I887 PolarHBondContact O-N 3.18Å
809	L	95	Very high	92.7	Very high	16 Å²	16	57.9 Å²	57.9	8%	0.084	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	136	-176.9	-81.8	-74.9	0	0	0	110.9	L545 I548 L552 P807 A874 Q875 I887	L545-L809 HydrophobicContact CD1-CB 3.59Å; I548-L809 HydrophobicContact CG2-CD1 4.26Å; I548-L809 HydrophobicContact CG2-CD2 4.39Å; I548-L809 HydrophobicContact CG2-CG 3.82Å; L552-L809 HydrophobicContact CD1-CD2 3.84Å; P807-L809 HydrophobicContact CB-CD2 3.78Å; P807-L809 HydrophobicContact CG-CD2 3.81Å; L809-A874 HydrophobicContact CD1-CB 4.46Å; L809-A874 HydrophobicContact CD2-CB 4.25Å; L809-Q875 HydrophobicContact CD1-CG 4.36Å; L809-I887 CarbonylContact C-O 3.2Å; L809-I887 VanDerWaalsContact CA-O 3.29Å; L809-I887 WeakPolarHBondContact CA-O 3.14Å; L809-I887 HydrophobicContact CD1-CB 4.3Å; L809-I887 HydrophobicContact CD1-CG2 4.31Å
810	Q	93.9	Very high	92.6	Very high	59 Å²	59	57.4 Å²	57.4	28%	0.276	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	159.7	178.7	-50.3	-158.2	-85.4	0	0	111.1	T886 I887 G888 I889	Q810-T886 HydrophobicContact CG-CG2 3.98Å; Q810-T886 VanDerWaalsContact OE1-CG2 3.27Å; Q810-I887 PolarHBondContact N-O 3.03Å; Q810-G888 CarbonylContact O-C 3.58Å; Q810-G888 VanDerWaalsContact O-CA 3.3Å; Q810-G888 WeakPolarHBondContact O-CA 3.33Å; Q810-I889 PolarHBondContact O-N 3.04Å
811	E	90.8	Very high	92.6	Very high	121 Å²	121	51 Å²	51	57%	0.565	26%	0.262	S	S	*	.	S	Bend	trans	-83.4	-21.4	173.6	-155.4	73.9	-157.8	0	0	111.9
812	E	88.9	Confident	93	Very high	131 Å²	131	47.4 Å²	47.4	61%	0.612	24%	0.244	S	C	*	.	S	Bend	trans	-83.7	133.1	178	-64.3	176	160.6	0	0	111	K814 G888	E812-K814 PolarHBondContact O-N 3.28Å; E812-G888 WeakPolarHBondContact O-CA 3.27Å
813	K	87.2	Confident	93.9	Very high	21 Å²	21	44.2 Å²	44.2	9%	0.091	21%	0.212	C	C	.	.			trans	-60.7	119.4	-178.9	57.9	-176.2	179.5	-178.6	0	113.1	Q844 P926 K960 L962	K813-Q844 HydrophobicContact CG-CB 4.36Å; K813-P926 WeakPolarHBondContact CD-O 3.3Å; K813-P926 PolarHBondContact NZ-O 3.31Å; K813-K960 PolarHBondContact NZ-O 3.2Å; K813-L962 HydrophobicContact CB-CD1 4.24Å; K813-L962 HydrophobicContact CB-CG 4.38Å; K813-L962 HydrophobicContact CD-CD2 4.42Å
814	K	94.4	Very high	94.1	Very high	47 Å²	47	40.1 Å²	40.1	20%	0.204	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	138.1	-172.6	-163.3	163.3	176.2	179.7	0	109.6	E812 I816 L842 T886 I887 G888	E812-K814 PolarHBondContact O-N 3.28Å; K814-I816 HydrophobicContact CD-CD1 4.5Å; K814-I816 HydrophobicContact CG-CD1 4.31Å; K814-I816 HydrophobicContact CG-CG1 4.1Å; K814-L842 CarbonylContact C-O 3.56Å; K814-L842 WeakPolarHBondContact CA-O 3.33Å; K814-T886 HydrophobicContact CD-CG2 4.14Å; K814-I887 CarbonylContact O-C 3.45Å; K814-I887 WeakPolarHBondContact O-CA 3.34Å; K814-G888 PolarHBondContact O-N 3.08Å
815	I	97.3	Very high	93.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	92.7	168.1	-60.1	174	0	0	0	106.2	I817 T840 S841 L842 V867 I887 L929 L962	I815-I817 HydrophobicContact CG2-CD1 3.74Å; I815-I817 HydrophobicContact CG2-CG1 3.94Å; I815-T840 HydrophobicContact CG2-CG2 4.37Å; I815-S841 CarbonylContact O-C 3.57Å; I815-S841 WeakPolarHBondContact O-CA 3.41Å; I815-L842 HydrophobicContact CB-CB 4.39Å; I815-L842 PolarHBondContact N-O 3.38Å; I815-L842 PolarHBondContact O-N 2.81Å; I815-V867 HydrophobicContact CD1-CG1 4.38Å; I815-V867 HydrophobicContact CG2-CG1 4.01Å; I815-I887 HydrophobicContact CB-CD1 4.5Å; I815-I887 HydrophobicContact CG2-CD1 3.99Å; I815-L929 HydrophobicContact CD1-CD1 4.01Å; I815-L929 HydrophobicContact CD1-CD2 4.04Å; I815-L929 HydrophobicContact CD1-CG 4.48Å; I815-L962 HydrophobicContact CD1-CD1 3.86Å; I815-L962 HydrophobicContact CG1-CD1 3.8Å
816	I	97.4	Very high	93.3	Very high	42 Å²	42	40.8 Å²	40.8	22%	0.215	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	122.7	168.8	-62.2	-178.1	0	0	0	107.5	K814 T840 A885 T886	K814-I816 HydrophobicContact CD-CD1 4.5Å; K814-I816 HydrophobicContact CG-CD1 4.31Å; K814-I816 HydrophobicContact CG-CG1 4.1Å; I816-T840 WeakPolarHBondContact CA-O 3.32Å; I816-A885 CarbonylContact O-C 3.51Å; I816-A885 WeakPolarHBondContact O-CA 3.01Å; I816-T886 PolarHBondContact N-O 2.69Å; I816-T886 PolarHBondContact O-N 2.87Å
817	I	97.2	Very high	92.8	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	123.6	178.8	-54.4	170	0	0	0	106.7	I815 S839 T840 V870 A882 I887	I815-I817 HydrophobicContact CG2-CD1 3.74Å; I815-I817 HydrophobicContact CG2-CG1 3.94Å; I817-S839 CarbonylContact O-C 3.56Å; I817-S839 WeakPolarHBondContact O-CA 3.2Å; I817-S839 WeakPolarHBondContact O-CB 3.15Å; I817-T840 PolarHBondContact N-O 3.28Å; I817-T840 PolarHBondContact O-N 3.05Å; I817-V870 HydrophobicContact CD1-CB 4Å; I817-V870 HydrophobicContact CD1-CG1 3.7Å; I817-V870 HydrophobicContact CG1-CG1 4.09Å; I817-A882 HydrophobicContact CG2-CB 3.89Å; I817-I887 HydrophobicContact CG1-CD1 4.39Å
818	K	96	Very high	92.1	Very high	98 Å²	98	45 Å²	45	43%	0.426	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	124.7	172.5	-64	-64.4	-169.8	170.9	0	109.3	G820 E883 E884	K818-G820 PolarHBondContact O-N 3.1Å; K818-G820 VanDerWaalsContact O-N 3.13Å; K818-E883 HydrophobicContact CB-CB 4.33Å; K818-E883 PolarHBondContact O-N 3.41Å; K818-E884 HydrophobicContact CB-CB 3.97Å; K818-E884 HydrophobicContact CB-CG 4.45Å; K818-E884 HydrophobicContact CG-CB 3.92Å; K818-E884 HydrophobicContact CG-CG 4.38Å; K818-E884 PolarHBondContact N-O 3.05Å
819	N	92.9	Very high	91.2	Very high	67 Å²	67	44.4 Å²	44.4	36%	0.358	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	46.7	46.8	176.2	-64.3	-27.9	0	0	0	112.7	P837 S839 E883	N819-P837 HydrophobicContact CB-CB 3.84Å; N819-S839 PolarHBondContact N-OG 3.34Å; N819-S839 PolarHBondContact OD1-OG 3.27Å; N819-E883 HydrophobicContact CB-CB 4.18Å; N819-E883 PolarHBondContact ND2-OE2 3.49Å
820	G	93.7	Very high	89.8	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	152.7	177.6	0	0	0	0	0	111.9	K818 P837 N838 Q866 P881	K818-G820 PolarHBondContact O-N 3.1Å; K818-G820 VanDerWaalsContact O-N 3.13Å; G820-P837 WeakPolarHBondContact O-CA 3.48Å; G820-N838 WeakPolarHBondContact CA-O 3.27Å; G820-N838 PolarHBondContact N-O 3.36Å; G820-N838 PolarHBondContact O-N 2.89Å; G820-Q866 PolarHBondContact O-NE2 3.22Å; G820-Q866 PolarHBondContact O-OE1 3.02Å; G820-P881 CarbonylContact C-O 3.5Å; G820-P881 VanDerWaalsContact CA-O 3.3Å; G820-P881 WeakPolarHBondContact CA-O 3.49Å
821	R	91.9	Very high	88.1	Confident	22 Å²	22	50.9 Å²	50.9	8%	0.083	26%	0.257	C	S	.	.			trans	-130.8	155.8	-179.3	-52.9	177.8	-51.9	-70.6	-5.4	110.4	N803 P823 D826 F835 P837 Q866 P881	N803-R821 VanDerWaalsContact O-CZ 3.32Å; N803-R821 PolarHBondContact O-NH1 3.31Å; N803-R821 PolarHBondContact O-NH2 3.37Å; R821-P823 WeakPolarHBondContact O-CD 3.39Å; R821-D826 WeakPolarHBondContact CD-OD1 3.17Å; R821-D826 IonicContact CZ-OD1 3.18Å; R821-D826 IonicContact CZ-OD2 2.87Å; R821-D826 VanDerWaalsContact NE-CG 3.28Å; R821-D826 IonicContact NE-OD1 2.66Å; R821-D826 PolarHBondContact NE-OD1 2.84Å; R821-D826 IonicContact NE-OD2 2.73Å; R821-D826 PolarHBondContact NE-OD2 2.96Å; R821-D826 IonicContact NH2-OD1 2.79Å; R821-D826 IonicContact NH2-OD2 2.75Å; R821-D826 PolarHBondContact NH2-OD2 2.87Å; R821-F835 HydrophobicContact CB-CE1 4.36Å; R821-P837 HydrophobicContact CG-CB 4.05Å; R821-P837 HydrophobicContact CG-CG 4.12Å; R821-Q866 VanDerWaalsContact CA-OE1 3.3Å; R821-P881 HydrophobicContact CB-CB 4.39Å; R821-P881 PolarHBondContact N-O 3.11Å; R821-P881 WeakPolarHBondContact O-CG 3.45Å
822	H	92.7	Very high	86.4	Confident	9 Å²	9	51.5 Å²	51.5	4%	0.042	26%	0.26	C	S	.	.			trans	-79.6	116.7	-179.4	-179.1	-86.3	0	0	0	110	M824 I825 D826 F835 S862 K865 Q866 L869	H822-M824 VanDerWaalsContact C-N 3.32Å; H822-M824 PolarHBondContact O-N 3.05Å; H822-M824 VanDerWaalsContact O-N 3.09Å; H822-I825 HydrophobicContact CB-CB 4.19Å; H822-I825 HydrophobicContact CB-CD1 3.99Å; H822-I825 HydrophobicContact CB-CG1 4.31Å; H822-I825 WeakPolarHBondContact ND1-CG1 3.26Å; H822-I825 PolarHBondContact O-N 2.66Å; H822-D826 PolarHBondContact O-N 2.83Å; H822-F835 HydrophobicContact CB-CE1 4.03Å; H822-F835 HydrophobicContact CB-CE2 4.39Å; H822-F835 HydrophobicContact CB-CZ 3.69Å; H822-S862 PolarHBondContact CD2-O 2.67Å; H822-K865 WeakPolarHBondContact NE2-CB 3.41Å; H822-Q866 HydrophobicContact CB-CB 4.1Å; H822-Q866 VanDerWaalsContact N-OE1 3.14Å; H822-L869 WeakPolarHBondContact NE2-CD1 3.47Å
823	P	92.8	Very high	84.7	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-53.7	-41.7	-165.3	-25.4	29.1	0	0	0	115	L518 V521 R821 I825 V827 L869 M873 P881	L518-P823 HydrophobicContact CD1-CB 4.23Å; L518-P823 HydrophobicContact CD1-CG 4.43Å; V521-P823 HydrophobicContact CG1-CB 4.3Å; R821-P823 WeakPolarHBondContact O-CD 3.39Å; P823-I825 VanDerWaalsContact C-N 3.35Å; P823-I825 PolarHBondContact O-N 3.17Å; P823-V827 PolarHBondContact O-N 2.69Å; P823-L869 HydrophobicContact CG-CB 4.09Å; P823-M873 HydrophobicContact CB-SD 3.88Å; P823-M873 HydrophobicContact CG-SD 3.46Å; P823-M873 WeakPolarHBondContact CG-SD 3.42Å; P823-P881 HydrophobicContact CB-CG 4.3Å; P823-P881 HydrophobicContact CG-CG 3.85Å
824	M	90.7	Very high	83.2	Confident	8 Å²	8	58.7 Å²	58.7	4%	0.039	30%	0.299	C	S	.	.	H	α-helix	trans	-73.1	-24.9	179.6	-61.6	168.5	-106.2	0	0	113.4	L503 E504 V521 H822 L828 L869	L503-M824 WeakPolarHBondContact O-CE 3.33Å; E504-M824 HydrophobicContact CB-CE 4.41Å; E504-M824 HydrophobicContact CB-SD 4.32Å; V521-M824 HydrophobicContact CG2-CB 4.38Å; V521-M824 HydrophobicContact CG2-CG 3.92Å; H822-M824 VanDerWaalsContact C-N 3.32Å; H822-M824 PolarHBondContact O-N 3.05Å; H822-M824 VanDerWaalsContact O-N 3.09Å; M824-L828 WeakPolarHBondContact O-CB 3.39Å; M824-L828 VanDerWaalsContact O-CD1 3.29Å; M824-L828 WeakPolarHBondContact O-CD1 3.47Å; M824-L828 WeakPolarHBondContact O-CG 3.5Å; M824-L828 PolarHBondContact O-N 3.15Å; M824-L869 HydrophobicContact CE-CD1 3.42Å; M824-L869 VanDerWaalsContact CE-CD1 3.42Å; M824-L869 HydrophobicContact CE-CD2 3.99Å; M824-L869 HydrophobicContact CE-CG 4.38Å
825	I	87.9	Confident	82	Confident	35 Å²	35	58.1 Å²	58.1	18%	0.179	30%	0.297	C	S	.	.	H	α-helix	trans	-85.9	-36.9	179.2	-64.7	169.3	0	0	0	109.8	H822 P823 V827 L828 L829 F835	H822-I825 HydrophobicContact CB-CB 4.19Å; H822-I825 HydrophobicContact CB-CD1 3.99Å; H822-I825 HydrophobicContact CB-CG1 4.31Å; H822-I825 WeakPolarHBondContact ND1-CG1 3.26Å; H822-I825 PolarHBondContact O-N 2.66Å; P823-I825 VanDerWaalsContact C-N 3.35Å; P823-I825 PolarHBondContact O-N 3.17Å; I825-V827 VanDerWaalsContact C-N 3.26Å; I825-V827 PolarHBondContact O-N 3.06Å; I825-L828 PolarHBondContact O-N 3.31Å; I825-L829 HydrophobicContact CG2-CB 4.48Å; I825-L829 HydrophobicContact CG2-CD1 3.65Å; I825-L829 HydrophobicContact CG2-CG 4.03Å; I825-L829 PolarHBondContact O-N 3.06Å; I825-F835 HydrophobicContact CB-CD2 4.43Å; I825-F835 HydrophobicContact CD1-CD2 4.05Å; I825-F835 HydrophobicContact CD1-CE2 3.78Å; I825-F835 HydrophobicContact CD1-CZ 4.46Å; I825-F835 HydrophobicContact CG2-CB 3.89Å; I825-F835 HydrophobicContact CG2-CD1 4.38Å; I825-F835 HydrophobicContact CG2-CD2 3.68Å; I825-F835 HydrophobicContact CG2-CE2 4.37Å; I825-F835 HydrophobicContact CG2-CG 3.68Å
826	D	86.6	Confident	81.3	Confident	27 Å²	27	60.5 Å²	60.5	14%	0.144	31%	0.311	C	S	.	.	H	α-helix	trans	-52.4	-44.6	173.3	-150.9	34.8	0	0	0	111.2	R821 H822 G830	R821-D826 WeakPolarHBondContact CD-OD1 3.17Å; R821-D826 IonicContact CZ-OD1 3.18Å; R821-D826 IonicContact CZ-OD2 2.87Å; R821-D826 VanDerWaalsContact NE-CG 3.28Å; R821-D826 IonicContact NE-OD1 2.66Å; R821-D826 PolarHBondContact NE-OD1 2.84Å; R821-D826 IonicContact NE-OD2 2.73Å; R821-D826 PolarHBondContact NE-OD2 2.96Å; R821-D826 IonicContact NH2-OD1 2.79Å; R821-D826 IonicContact NH2-OD2 2.75Å; R821-D826 PolarHBondContact NH2-OD2 2.87Å; H822-D826 PolarHBondContact O-N 2.83Å; D826-G830 VanDerWaalsContact O-CA 3.25Å; D826-G830 WeakPolarHBondContact O-CA 3.28Å; D826-G830 PolarHBondContact O-N 3.47Å
827	V	86.9	Confident	80.9	Confident	64 Å²	64	61 Å²	61	39%	0.388	32%	0.317	S	S	.	.	H	α-helix	trans	-75.9	-28.7	176.9	179.5	0	0	0	0	113.6	W520 V521 P823 I825	W520-V827 HydrophobicContact CH2-CB 4.45Å; W520-V827 HydrophobicContact CH2-CG1 3.65Å; W520-V827 HydrophobicContact CZ2-CG1 4.34Å; W520-V827 HydrophobicContact CZ3-CB 4.45Å; W520-V827 HydrophobicContact CZ3-CG1 4.05Å; V521-V827 HydrophobicContact CG1-CG2 3.97Å; V521-V827 HydrophobicContact CG2-CG2 4.2Å; P823-V827 PolarHBondContact O-N 2.69Å; I825-V827 VanDerWaalsContact C-N 3.26Å; I825-V827 PolarHBondContact O-N 3.06Å
828	L	83.3	Confident	80.7	Confident	105 Å²	105	61.1 Å²	61.1	55%	0.55	32%	0.318	S	S	.	.	H	α-helix	trans	-87.6	-28.9	-176.1	-75.1	173.4	0	0	0	114.2	W520 M824 I825	W520-L828 HydrophobicContact CH2-CD2 3.85Å; W520-L828 HydrophobicContact CH2-CG 4.26Å; W520-L828 HydrophobicContact CZ3-CD2 4.27Å; W520-L828 HydrophobicContact CZ3-CG 4.27Å; M824-L828 WeakPolarHBondContact O-CB 3.39Å; M824-L828 VanDerWaalsContact O-CD1 3.29Å; M824-L828 WeakPolarHBondContact O-CD1 3.47Å; M824-L828 WeakPolarHBondContact O-CG 3.5Å; M824-L828 PolarHBondContact O-N 3.15Å; I825-L828 PolarHBondContact O-N 3.31Å
829	L	77.5	Confident	80.6	Confident	61 Å²	61	58.8 Å²	58.8	32%	0.319	31%	0.314	S	S	.	.	H	α-helix	trans	-114.6	-28.3	-178.5	-59	-176.2	0	0	0	113.3	I825 Q832 Q834	I825-L829 HydrophobicContact CG2-CB 4.48Å; I825-L829 HydrophobicContact CG2-CD1 3.65Å; I825-L829 HydrophobicContact CG2-CG 4.03Å; I825-L829 PolarHBondContact O-N 3.06Å; L829-Q832 VanDerWaalsContact O-CG 3.31Å; L829-Q832 WeakPolarHBondContact O-CG 3.48Å; L829-Q834 HydrophobicContact CD1-CB 4.39Å
830	G	66.7	Low	80.8	Confident	35 Å²	35	55.8 Å²	55.8	36%	0.361	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	-153.7	-170.8	0	0	0	0	0	112.6	D826 Q832	D826-G830 VanDerWaalsContact O-CA 3.25Å; D826-G830 WeakPolarHBondContact O-CA 3.28Å; D826-G830 PolarHBondContact O-N 3.47Å; G830-Q832 PolarHBondContact O-N 2.96Å
831	E	58.3	Low	80.9	Confident	175 Å²	175	58.2 Å²	58.2	82%	0.818	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	26.4	179.9	-57.5	-177.2	142.1	0	0	113.8	N803	N803-E831 PolarHBondContact ND2-OE1 2.94Å
832	Q	54.2	Low	81	Confident	134 Å²	134	57.2 Å²	57.2	63%	0.626	31%	0.311	S	S	*	.	S	Bend	trans	-78.5	147.2	175.4	-65.7	180	28.5	0	0	110.9	L829 G830 Q834	L829-Q832 VanDerWaalsContact O-CG 3.31Å; L829-Q832 WeakPolarHBondContact O-CG 3.48Å; G830-Q832 PolarHBondContact O-N 2.96Å; Q832-Q834 PolarHBondContact O-N 3.21Å
833	D	52.1	Low	81	Confident	169 Å²	169	57.3 Å²	57.3	90%	0.904	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	11.7	-162.2	-50.1	-81.5	0	0	0	117.5
834	Q	56.8	Low	80.7	Confident	135 Å²	135	61.7 Å²	61.7	63%	0.631	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-21.5	-174.4	-64.8	-171.7	2.3	0	0	115.2	L829 Q832	L829-Q834 HydrophobicContact CD1-CB 4.39Å; Q832-Q834 PolarHBondContact O-N 3.21Å
835	F	69.4	Low	80.3	Confident	35 Å²	35	67.9 Å²	67.9	15%	0.154	37%	0.367	C	S	.	.			trans	-118.9	89.3	-178.8	-159.8	-91.1	0	0	0	112.7	R821 H822 I825	R821-F835 HydrophobicContact CB-CE1 4.36Å; H822-F835 HydrophobicContact CB-CE1 4.03Å; H822-F835 HydrophobicContact CB-CE2 4.39Å; H822-F835 HydrophobicContact CB-CZ 3.69Å; I825-F835 HydrophobicContact CB-CD2 4.43Å; I825-F835 HydrophobicContact CD1-CD2 4.05Å; I825-F835 HydrophobicContact CD1-CE2 3.78Å; I825-F835 HydrophobicContact CD1-CZ 4.46Å; I825-F835 HydrophobicContact CG2-CB 3.89Å; I825-F835 HydrophobicContact CG2-CD1 4.38Å; I825-F835 HydrophobicContact CG2-CD2 3.68Å; I825-F835 HydrophobicContact CG2-CE2 4.37Å; I825-F835 HydrophobicContact CG2-CG 3.68Å
836	V	82.4	Confident	80.4	Confident	49 Å²	49	68.4 Å²	68.4	30%	0.297	37%	0.374	S	S	.	.			trans	-68.1	132.3	179.7	178.8	0	0	0	0	110.8	N838 L1014 Q1016	V836-N838 PolarHBondContact O-ND2 3.19Å; V836-L1014 WeakPolarHBondContact CG2-O 3.4Å; V836-Q1016 HydrophobicContact CG1-CB 4.22Å; V836-Q1016 HydrophobicContact CG1-CG 4.47Å
837	P	89.3	Confident	80.7	Confident	52 Å²	52	68 Å²	68	34%	0.338	37%	0.371	S	S	.	.			trans	-61.2	139.8	173.6	-23.1	33.9	0	0	0	112.2	N819 G820 R821	N819-P837 HydrophobicContact CB-CB 3.84Å; G820-P837 WeakPolarHBondContact O-CA 3.48Å; R821-P837 HydrophobicContact CG-CB 4.05Å; R821-P837 HydrophobicContact CG-CG 4.12Å
838	N	91.9	Very high	81.1	Confident	4 Å²	4	66 Å²	66	2%	0.021	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	134.8	-174.2	-84	-84.1	0	0	0	111.1	G820 V836 Y863 Q866 Y1015 Q1016 I1017	G820-N838 WeakPolarHBondContact CA-O 3.27Å; G820-N838 PolarHBondContact N-O 3.36Å; G820-N838 PolarHBondContact O-N 2.89Å; V836-N838 PolarHBondContact O-ND2 3.19Å; N838-Y863 HydrophobicContact CB-CD2 3.64Å; N838-Y863 HydrophobicContact CB-CE2 3.9Å; N838-Q866 PolarHBondContact O-NE2 2.84Å; N838-Y1015 PolarHBondContact ND2-O 3.17Å; N838-Q1016 WeakPolarHBondContact OD1-CA 3.47Å; N838-I1017 HydrophobicContact CB-CG2 4.4Å; N838-I1017 WeakPolarHBondContact OD1-CB 3.45Å; N838-I1017 WeakPolarHBondContact OD1-CG2 3.42Å; N838-I1017 PolarHBondContact OD1-N 2.93Å
839	S	94.8	Very high	81.8	Confident	48 Å²	48	61 Å²	61	34%	0.336	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	143.9	176.4	-67.1	0	0	0	0	111.4	I817 N819	I817-S839 CarbonylContact O-C 3.56Å; I817-S839 WeakPolarHBondContact O-CA 3.2Å; I817-S839 WeakPolarHBondContact O-CB 3.15Å; N819-S839 PolarHBondContact N-OG 3.34Å; N819-S839 PolarHBondContact OD1-OG 3.27Å
840	T	96.5	Very high	82.7	Confident	5 Å²	5	58.1 Å²	58.1	3%	0.031	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	140.6	178.6	-54.5	0	0	0	0	108.9	I815 I816 I817 L842 M850 Y863 V867	I815-T840 HydrophobicContact CG2-CG2 4.37Å; I816-T840 WeakPolarHBondContact CA-O 3.32Å; I817-T840 PolarHBondContact N-O 3.28Å; I817-T840 PolarHBondContact O-N 3.05Å; T840-L842 HydrophobicContact CG2-CD1 4.47Å; T840-L842 HydrophobicContact CG2-CG 4.34Å; T840-M850 HydrophobicContact CG2-CE 4.47Å; T840-Y863 VanDerWaalsContact OG1-CE2 3.3Å; T840-Y863 WeakPolarHBondContact OG1-CE2 3.43Å; T840-Y863 PolarHBondContact OG1-OH 3.19Å; T840-V867 HydrophobicContact CG2-CG1 4.33Å; T840-V867 HydrophobicContact CG2-CG2 4.04Å; T840-V867 WeakPolarHBondContact OG1-CG2 3.49Å
841	S	95.8	Very high	84.2	Confident	51 Å²	51	56.5 Å²	56.5	36%	0.357	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	113.3	172.4	-173.8	0	0	0	0	109.1	I815	I815-S841 CarbonylContact O-C 3.57Å; I815-S841 WeakPolarHBondContact O-CA 3.41Å
842	L	95.3	Very high	85.8	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	132.8	171.1	-62.3	172.5	0	0	0	108.5	K814 I815 T840 E847 M850 L962 L964	K814-L842 CarbonylContact C-O 3.56Å; K814-L842 WeakPolarHBondContact CA-O 3.33Å; I815-L842 HydrophobicContact CB-CB 4.39Å; I815-L842 PolarHBondContact N-O 3.38Å; I815-L842 PolarHBondContact O-N 2.81Å; T840-L842 HydrophobicContact CG2-CD1 4.47Å; T840-L842 HydrophobicContact CG2-CG 4.34Å; L842-E847 VanDerWaalsContact CA-O 3.26Å; L842-E847 WeakPolarHBondContact CA-O 3.46Å; L842-M850 HydrophobicContact CD2-CB 4.26Å; L842-M850 HydrophobicContact CD2-CE 4.43Å; L842-L962 HydrophobicContact CB-CD2 4.33Å; L842-L962 HydrophobicContact CD1-CB 4.47Å; L842-L964 HydrophobicContact CD1-CD2 4.02Å
843	S	92.6	Very high	87.5	Confident	11 Å²	11	42.3 Å²	42.3	8%	0.077	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	169.3	176.2	69.8	0	0	0	0	112.3	D845 S846 E847 R848	S843-D845 VanDerWaalsContact C-N 3.32Å; S843-S846 VanDerWaalsContact OG-CB 3.25Å; S843-S846 WeakPolarHBondContact OG-CB 3.47Å; S843-S846 PolarHBondContact OG-N 3.46Å; S843-E847 PolarHBondContact N-O 3.18Å; S843-E847 VanDerWaalsContact N-O 3.11Å; S843-R848 WeakPolarHBondContact O-CG 3.42Å
844	Q	85.1	Confident	88.8	Confident	93 Å²	93	34.9 Å²	34.9	44%	0.435	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-34.3	173.4	175.3	55.1	33.3	0	0	112.8	K813 S846	K813-Q844 HydrophobicContact CG-CB 4.36Å; Q844-S846 VanDerWaalsContact C-N 3.29Å; Q844-S846 PolarHBondContact O-N 3.02Å
845	D	83.1	Confident	89.7	Confident	137 Å²	137	28.9 Å²	28.9	73%	0.733	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	10.7	-176.6	-36	-67.1	0	0	0	113.5	S843	S843-D845 VanDerWaalsContact C-N 3.32Å
846	S	89.9	Confident	89.9	Confident	47 Å²	47	31.4 Å²	31.4	33%	0.329	18%	0.184	S	C	.	.	S	Bend	trans	-154.7	-156.7	-176	-164.1	0	0	0	0	109.1	S843 Q844 R848 E981	S843-S846 VanDerWaalsContact OG-CB 3.25Å; S843-S846 WeakPolarHBondContact OG-CB 3.47Å; S843-S846 PolarHBondContact OG-N 3.46Å; Q844-S846 VanDerWaalsContact C-N 3.29Å; Q844-S846 PolarHBondContact O-N 3.02Å; S846-R848 PolarHBondContact O-N 3.32Å; S846-E981 CarbonylContact C-O 3.12Å
847	E	93.4	Very high	89.3	Confident	18 Å²	18	34.9 Å²	34.9	8%	0.084	20%	0.198	C	C	.	.			trans	-59.6	125.1	177.2	-71.3	156	-134.9	0	0	110.8	L842 S843 E981 G984 Y986 R1019	L842-E847 VanDerWaalsContact CA-O 3.26Å; L842-E847 WeakPolarHBondContact CA-O 3.46Å; S843-E847 PolarHBondContact N-O 3.18Å; S843-E847 VanDerWaalsContact N-O 3.11Å; E847-E981 PolarHBondContact N-O 3.21Å; E847-G984 WeakPolarHBondContact OE2-CA 3.37Å; E847-Y986 WeakPolarHBondContact OE2-CE2 3.49Å; E847-Y986 PolarHBondContact OE2-OH 3.14Å; E847-R1019 IonicContact OE1-CZ 3.6Å; E847-R1019 IonicContact OE1-NH1 2.82Å; E847-R1019 PolarHBondContact OE1-NH1 3.27Å; E847-R1019 IonicContact OE1-NH2 2.81Å; E847-R1019 PolarHBondContact OE1-NH2 2.82Å; E847-R1019 IonicContact OE2-CZ 3.9Å; E847-R1019 IonicContact OE2-NH1 3.3Å; E847-R1019 IonicContact OE2-NH2 3.98Å
848	R	95.6	Very high	88.1	Confident	21 Å²	21	32.4 Å²	32.4	8%	0.079	18%	0.183	C	C	.	.			trans	-99.5	-18.2	170.2	-65	-174.6	-53.4	-74.5	-2.7	111.5	S843 S846 I956 L962 T963 Q982	S843-R848 WeakPolarHBondContact O-CG 3.42Å; S846-R848 PolarHBondContact O-N 3.32Å; R848-I956 PolarHBondContact NH2-O 3.08Å; R848-L962 HydrophobicContact CB-CD2 4.22Å; R848-L962 HydrophobicContact CG-CD2 4.19Å; R848-L962 CarbonylContact O-C 3.53Å; R848-L962 WeakPolarHBondContact O-CA 3.46Å; R848-T963 PolarHBondContact O-N 2.76Å; R848-Q982 PolarHBondContact N-O 3.3Å
849	V	97.2	Very high	87.5	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	118.9	-169.6	-179.2	0	0	0	0	109.8	L952 I956 T963 Q982 V983 G984	V849-L952 HydrophobicContact CG1-CD1 3.64Å; V849-I956 HydrophobicContact CB-CG1 4.23Å; V849-I956 HydrophobicContact CG1-CG1 4.03Å; V849-I956 HydrophobicContact CG2-CG1 3.82Å; V849-T963 WeakPolarHBondContact CA-O 3.37Å; V849-Q982 PolarHBondContact N-O 2.6Å; V849-Q982 VanDerWaalsContact N-O 3.1Å; V849-V983 HydrophobicContact CB-CG2 4.1Å; V849-V983 HydrophobicContact CG1-CG2 4.38Å; V849-V983 WeakPolarHBondContact O-CA 3.26Å; V849-G984 PolarHBondContact O-N 3.29Å
850	M	97.3	Very high	87	Confident	2 Å²	2	30.6 Å²	30.6	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	110.3	179.2	-174.5	175	-74.4	0	0	109.1	T840 L842 I852 Y863 T963 L964 F965 Y986	T840-M850 HydrophobicContact CG2-CE 4.47Å; L842-M850 HydrophobicContact CD2-CB 4.26Å; L842-M850 HydrophobicContact CD2-CE 4.43Å; M850-I852 HydrophobicContact CG-CD1 4.28Å; M850-I852 HydrophobicContact CG-CG1 3.82Å; M850-I852 HydrophobicContact SD-CD1 4.19Å; M850-I852 HydrophobicContact SD-CG1 4.29Å; M850-Y863 HydrophobicContact SD-CE1 3.89Å; M850-Y863 PolarHBondContact SD-OH 3.34Å; M850-Y863 VanDerWaalsContact SD-OH 3.34Å; M850-T963 PolarHBondContact N-O 2.88Å; M850-L964 HydrophobicContact CB-CD2 3.81Å; M850-L964 HydrophobicContact CG-CD2 4.4Å; M850-L964 HydrophobicContact SD-CD2 4.12Å; M850-F965 PolarHBondContact O-N 3.23Å; M850-Y986 HydrophobicContact CE-CD2 4.24Å; M850-Y986 HydrophobicContact CE-CE1 4.3Å; M850-Y986 HydrophobicContact CE-CE2 3.94Å; M850-Y986 HydrophobicContact CG-CD2 3.53Å; M850-Y986 HydrophobicContact CG-CE2 4.02Å; M850-Y986 HydrophobicContact CG-CG 4.02Å; M850-Y986 HydrophobicContact SD-CD2 4.32Å; M850-Y986 HydrophobicContact SD-CG 4.39Å
851	I	96.5	Very high	86.6	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	112.9	174.8	-55.7	-179.1	0	0	0	107.7	T853 L952 F965 T967 L975 V983 G984 N985 Y986	I851-T853 HydrophobicContact CG2-CG2 4.45Å; I851-L952 HydrophobicContact CD1-CD2 3.7Å; I851-L952 HydrophobicContact CG1-CD2 3.87Å; I851-F965 CarbonylContact C-O 3.57Å; I851-F965 WeakPolarHBondContact CA-O 3.3Å; I851-T967 HydrophobicContact CG2-CG2 3.81Å; I851-L975 HydrophobicContact CD1-CB 4.46Å; I851-V983 HydrophobicContact CD1-CG1 3.55Å; I851-V983 HydrophobicContact CG1-CG1 3.91Å; I851-G984 PolarHBondContact N-O 2.91Å; I851-N985 WeakPolarHBondContact CB-OD1 3.49Å; I851-N985 WeakPolarHBondContact CG2-OD1 3.3Å; I851-Y986 PolarHBondContact O-N 3.17Å
852	I	93.6	Very high	86.3	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	120.9	-176.1	-47.9	176.7	0	0	0	109.7	M850 K860 Y863 I864 F965 V966 T967 Y986 I1017	M850-I852 HydrophobicContact CG-CD1 4.28Å; M850-I852 HydrophobicContact CG-CG1 3.82Å; M850-I852 HydrophobicContact SD-CD1 4.19Å; M850-I852 HydrophobicContact SD-CG1 4.29Å; I852-K860 HydrophobicContact CG2-CD 3.87Å; I852-K860 HydrophobicContact CG2-CG 4.22Å; I852-Y863 HydrophobicContact CD1-CD1 3.94Å; I852-Y863 HydrophobicContact CD1-CE1 3.77Å; I852-I864 HydrophobicContact CD1-CG1 4.22Å; I852-F965 PolarHBondContact N-O 2.89Å; I852-V966 HydrophobicContact CB-CG2 3.8Å; I852-V966 HydrophobicContact CD1-CG2 3.94Å; I852-V966 HydrophobicContact CG1-CG2 4.16Å; I852-V966 WeakPolarHBondContact O-CA 3.33Å; I852-T967 PolarHBondContact O-N 2.73Å; I852-Y986 WeakPolarHBondContact CA-O 3.22Å; I852-I1017 HydrophobicContact CG2-CD1 4.06Å
853	T	89.6	Confident	86.1	Confident	11 Å²	11	31.7 Å²	31.7	7%	0.067	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	170.4	-179	59.4	0	0	0	0	112.2	I851 T967 C973 Y986 H987 A1022	I851-T853 HydrophobicContact CG2-CG2 4.45Å; T853-T967 HydrophobicContact CG2-CG2 4.3Å; T853-C973 VanDerWaalsContact CG2-SG 3.53Å; T853-Y986 PolarHBondContact N-O 3.13Å; T853-Y986 PolarHBondContact OG1-O 2.69Å; T853-H987 WeakPolarHBondContact O-CA 3.42Å; T853-A1022 WeakPolarHBondContact OG1-CB 3.32Å; T853-A1022 PolarHBondContact OG1-N 3.34Å
854	G	79.7	Confident	86.1	Confident	13 Å²	13	31.2 Å²	31.2	13%	0.134	18%	0.176	C	C	.	.	S	Bend	trans	94.8	-162.9	175.8	0	0	0	0	0	114.7	K860	G854-K860 PolarHBondContact O-NZ 3.35Å
855	P	75.6	Confident	86.5	Confident	10 Å²	10	28.6 Å²	28.6	7%	0.065	16%	0.164	C	C	.	.			trans	-74.9	156.7	-159.8	23.8	-34.6	0	0	0	117.8	K860 F1013 Y1026	P855-K860 WeakPolarHBondContact O-CG 3.37Å; P855-K860 PolarHBondContact O-NZ 3.11Å; P855-F1013 HydrophobicContact CG-CE1 4.34Å; P855-Y1026 HydrophobicContact CB-CD1 4.24Å; P855-Y1026 HydrophobicContact CB-CE1 3.41Å; P855-Y1026 VanDerWaalsContact CB-CE1 3.41Å; P855-Y1026 HydrophobicContact CB-CE2 4.19Å; P855-Y1026 WeakPolarHBondContact CB-OH 3.2Å; P855-Y1026 HydrophobicContact CG-CD1 4.46Å; P855-Y1026 HydrophobicContact CG-CD2 4.46Å; P855-Y1026 HydrophobicContact CG-CE1 3.85Å; P855-Y1026 HydrophobicContact CG-CE2 3.73Å; P855-Y1026 VanDerWaalsContact CG-CZ 3.41Å; P855-Y1026 WeakPolarHBondContact CG-OH 3.41Å
856	N	73.5	Confident	87.1	Confident	87 Å²	87	22.1 Å²	22.1	47%	0.465	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-27.8	169.5	-64.2	6.4	0	0	0	111.3	K860 E934 H968	N856-K860 PolarHBondContact OD1-NZ 3.33Å; N856-E934 PolarHBondContact ND2-OE1 3.21Å; N856-E934 PolarHBondContact OD1-OE1 2.65Å; N856-H968 PolarHBondContact OD1-CE1 2.69Å; N856-H968 PolarHBondContact OD1-NE2 2.82Å
857	M	68.2	Low	87.4	Confident	122 Å²	122	19.9 Å²	19.9	60%	0.601	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-16.5	176.9	-167.5	165.9	177.3	0	0	114.4	G859 F1013 Y1015	M857-G859 VanDerWaalsContact C-N 3.26Å; M857-G859 PolarHBondContact O-N 3.24Å; M857-F1013 HydrophobicContact CE-CE2 4.43Å; M857-F1013 HydrophobicContact CG-CE2 4.25Å; M857-F1013 HydrophobicContact SD-CE2 4.32Å; M857-Y1015 WeakPolarHBondContact O-CE1 3.48Å
858	G	64.1	Low	87.5	Confident	1 Å²	1	19 Å²	19	1%	0.01	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	19.8	-178.3	0	0	0	0	0	115.2	M988	G858-M988 WeakPolarHBondContact O-CB 3.4Å; G858-M988 WeakPolarHBondContact O-CE 3.16Å; G858-M988 WeakPolarHBondContact O-CG 3.45Å
859	G	79.3	Confident	87.6	Confident	13 Å²	13	18 Å²	18	13%	0.134	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	4.2	174.8	0	0	0	0	0	117	M857 S861 S862 Y863	M857-G859 VanDerWaalsContact C-N 3.26Å; M857-G859 PolarHBondContact O-N 3.24Å; G859-S861 VanDerWaalsContact C-N 3.33Å; G859-S861 PolarHBondContact O-N 3.19Å; G859-S862 WeakPolarHBondContact O-CB 3.33Å; G859-S862 PolarHBondContact O-N 2.95Å; G859-Y863 PolarHBondContact O-N 3.12Å; G859-Y863 VanDerWaalsContact O-N 3.11Å
860	K	85.8	Confident	87.6	Confident	0 Å²	0	18 Å²	18	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-44.8	-54.8	179.6	-75.7	-157.9	-38.2	-76.2	0	112.5	I852 G854 P855 N856 S862 Y863 I864 V966 M988	I852-K860 HydrophobicContact CG2-CD 3.87Å; I852-K860 HydrophobicContact CG2-CG 4.22Å; G854-K860 PolarHBondContact O-NZ 3.35Å; P855-K860 WeakPolarHBondContact O-CG 3.37Å; P855-K860 PolarHBondContact O-NZ 3.11Å; N856-K860 PolarHBondContact OD1-NZ 3.33Å; K860-S862 PolarHBondContact O-N 2.85Å; K860-Y863 PolarHBondContact O-N 3Å; K860-Y863 VanDerWaalsContact O-N 3.15Å; K860-I864 HydrophobicContact CB-CD1 4.22Å; K860-I864 VanDerWaalsContact O-CD1 3.26Å; K860-I864 WeakPolarHBondContact O-CD1 3.44Å; K860-I864 WeakPolarHBondContact O-CG1 3.39Å; K860-I864 PolarHBondContact O-N 3.13Å; K860-V966 HydrophobicContact CD-CG1 3.76Å; K860-M988 HydrophobicContact CB-CG 4.42Å; K860-M988 HydrophobicContact CG-CG 3.55Å
861	S	87.3	Confident	87.6	Confident	44 Å²	44	17.9 Å²	17.9	31%	0.308	11%	0.105	S	C	.	.	H	α-helix	trans	-59.9	-33.2	-176.6	-49.6	0	0	0	0	112.9	G859 K865	G859-S861 VanDerWaalsContact C-N 3.33Å; G859-S861 PolarHBondContact O-N 3.19Å; S861-K865 WeakPolarHBondContact O-CB 3.4Å; S861-K865 VanDerWaalsContact O-CG 3.28Å; S861-K865 WeakPolarHBondContact O-CG 3.29Å; S861-K865 PolarHBondContact O-N 3.47Å
862	S	89.1	Confident	87.7	Confident	34 Å²	34	17.9 Å²	17.9	24%	0.238	11%	0.105	C	C	.	.	H	α-helix	trans	-71.6	-43.9	176.1	-50.4	0	0	0	0	111.8	H822 G859 K860 K865 Q866	H822-S862 PolarHBondContact CD2-O 2.67Å; G859-S862 WeakPolarHBondContact O-CB 3.33Å; G859-S862 PolarHBondContact O-N 2.95Å; K860-S862 PolarHBondContact O-N 2.85Å; S862-K865 PolarHBondContact O-N 3.2Å; S862-Q866 VanDerWaalsContact O-CB 3.26Å; S862-Q866 WeakPolarHBondContact O-CB 3.26Å; S862-Q866 PolarHBondContact O-N 3.39Å
863	Y	91.9	Very high	87.9	Confident	2 Å²	2	17.9 Å²	17.9	1%	0.008	11%	0.105	C	C	.	.	H	α-helix	trans	-62	-45.3	174.9	173.3	-110.2	0	0	0	111.7	N838 T840 M850 I852 G859 K860 K865 Q866 V867 I1017	N838-Y863 HydrophobicContact CB-CD2 3.64Å; N838-Y863 HydrophobicContact CB-CE2 3.9Å; T840-Y863 VanDerWaalsContact OG1-CE2 3.3Å; T840-Y863 WeakPolarHBondContact OG1-CE2 3.43Å; T840-Y863 PolarHBondContact OG1-OH 3.19Å; M850-Y863 HydrophobicContact SD-CE1 3.89Å; M850-Y863 PolarHBondContact SD-OH 3.34Å; M850-Y863 VanDerWaalsContact SD-OH 3.34Å; I852-Y863 HydrophobicContact CD1-CD1 3.94Å; I852-Y863 HydrophobicContact CD1-CE1 3.77Å; G859-Y863 PolarHBondContact O-N 3.12Å; G859-Y863 VanDerWaalsContact O-N 3.11Å; K860-Y863 PolarHBondContact O-N 3Å; K860-Y863 VanDerWaalsContact O-N 3.15Å; Y863-K865 PolarHBondContact O-N 3Å; Y863-Q866 WeakPolarHBondContact O-CB 3.39Å; Y863-Q866 PolarHBondContact O-N 2.97Å; Y863-V867 HydrophobicContact CE2-CG2 4.14Å; Y863-V867 PolarHBondContact O-N 3.39Å; Y863-V867 VanDerWaalsContact O-N 3.17Å; Y863-I1017 HydrophobicContact CD1-CD1 4.09Å; Y863-I1017 HydrophobicContact CD1-CG1 4.48Å; Y863-I1017 HydrophobicContact CE1-CB 4.5Å; Y863-I1017 HydrophobicContact CE1-CD1 3.92Å; Y863-I1017 HydrophobicContact CE1-CG1 3.99Å; Y863-I1017 HydrophobicContact CE2-CB 4.44Å; Y863-I1017 HydrophobicContact CE2-CG2 4.13Å
864	I	93.2	Very high	88.3	Confident	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60.6	-47.2	178.1	-62.7	155.6	0	0	0	111.2	I852 K860 M897 I931 L964 V966	I852-I864 HydrophobicContact CD1-CG1 4.22Å; K860-I864 HydrophobicContact CB-CD1 4.22Å; K860-I864 VanDerWaalsContact O-CD1 3.26Å; K860-I864 WeakPolarHBondContact O-CD1 3.44Å; K860-I864 WeakPolarHBondContact O-CG1 3.39Å; K860-I864 PolarHBondContact O-N 3.13Å; I864-M897 HydrophobicContact CB-CE 4.06Å; I864-M897 HydrophobicContact CG2-CE 3.61Å; I864-M897 HydrophobicContact CG2-SD 4.1Å; I864-I931 HydrophobicContact CG2-CB 4.48Å; I864-I931 HydrophobicContact CG2-CD1 4.1Å; I864-I931 HydrophobicContact CG2-CG1 4.49Å; I864-I931 HydrophobicContact CG2-CG2 3.28Å; I864-L964 HydrophobicContact CG2-CD1 4.34Å; I864-V966 HydrophobicContact CD1-CB 4.13Å; I864-V966 HydrophobicContact CD1-CG1 4.07Å; I864-V966 HydrophobicContact CD1-CG2 3.33Å; I864-V966 HydrophobicContact CG1-CG2 3.84Å
865	K	93.5	Very high	89.1	Confident	39 Å²	39	16.8 Å²	16.8	17%	0.17	10%	0.095	C	C	.	.	H	α-helix	trans	-60.8	-44.1	174.8	-76.4	-177.8	-176.1	-169	0	111.6	N502 L503 E504 H822 S861 S862 Y863 V867 A868 L869 M897	N502-K865 WeakPolarHBondContact O-CE 3.34Å; N502-K865 PolarHBondContact O-NZ 3.12Å; L503-K865 HydrophobicContact CD2-CB 4.33Å; L503-K865 HydrophobicContact CD2-CG 4.03Å; E504-K865 IonicContact OE2-NZ 3.17Å; E504-K865 PolarHBondContact OE2-NZ 3.48Å; H822-K865 WeakPolarHBondContact NE2-CB 3.41Å; S861-K865 WeakPolarHBondContact O-CB 3.4Å; S861-K865 VanDerWaalsContact O-CG 3.28Å; S861-K865 WeakPolarHBondContact O-CG 3.29Å; S861-K865 PolarHBondContact O-N 3.47Å; S862-K865 PolarHBondContact O-N 3.2Å; Y863-K865 PolarHBondContact O-N 3Å; K865-V867 PolarHBondContact O-N 2.86Å; K865-A868 PolarHBondContact O-N 3.09Å; K865-L869 HydrophobicContact CB-CD1 4.09Å; K865-L869 WeakPolarHBondContact O-CB 3.35Å; K865-L869 WeakPolarHBondContact O-CD1 3.33Å; K865-L869 WeakPolarHBondContact O-CG 3.48Å; K865-L869 PolarHBondContact O-N 2.93Å; K865-M897 HydrophobicContact CG-CE 4.31Å
866	Q	94.8	Very high	90.2	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-54.7	-48	-178.9	163.7	-178.6	-43.5	0	0	112	G820 R821 H822 N838 S862 Y863 A868 L869 V870	G820-Q866 PolarHBondContact O-NE2 3.22Å; G820-Q866 PolarHBondContact O-OE1 3.02Å; R821-Q866 VanDerWaalsContact CA-OE1 3.3Å; H822-Q866 HydrophobicContact CB-CB 4.1Å; H822-Q866 VanDerWaalsContact N-OE1 3.14Å; N838-Q866 PolarHBondContact O-NE2 2.84Å; S862-Q866 VanDerWaalsContact O-CB 3.26Å; S862-Q866 WeakPolarHBondContact O-CB 3.26Å; S862-Q866 PolarHBondContact O-N 3.39Å; Y863-Q866 WeakPolarHBondContact O-CB 3.39Å; Y863-Q866 PolarHBondContact O-N 2.97Å; Q866-A868 VanDerWaalsContact C-N 3.35Å; Q866-A868 PolarHBondContact O-N 3.12Å; Q866-L869 PolarHBondContact O-N 3.16Å; Q866-V870 HydrophobicContact CG-CG2 4.32Å; Q866-V870 WeakPolarHBondContact O-CB 3.44Å; Q866-V870 WeakPolarHBondContact O-CG2 3.41Å; Q866-V870 PolarHBondContact O-N 3.45Å
867	V	96.7	Very high	91.3	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-57.7	-48.5	-178.8	178.2	0	0	0	0	110.9	I815 T840 Y863 K865 T871 L929 L964	I815-V867 HydrophobicContact CD1-CG1 4.38Å; I815-V867 HydrophobicContact CG2-CG1 4.01Å; T840-V867 HydrophobicContact CG2-CG1 4.33Å; T840-V867 HydrophobicContact CG2-CG2 4.04Å; T840-V867 WeakPolarHBondContact OG1-CG2 3.49Å; Y863-V867 HydrophobicContact CE2-CG2 4.14Å; Y863-V867 PolarHBondContact O-N 3.39Å; Y863-V867 VanDerWaalsContact O-N 3.17Å; K865-V867 PolarHBondContact O-N 2.86Å; V867-T871 PolarHBondContact O-N 3.41Å; V867-T871 PolarHBondContact O-OG1 2.68Å; V867-L929 HydrophobicContact CG1-CD2 4.5Å; V867-L964 HydrophobicContact CB-CD1 3.99Å; V867-L964 HydrophobicContact CG1-CD1 4.17Å; V867-L964 HydrophobicContact CG2-CD1 4.17Å
868	A	96.3	Very high	92.7	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-65.9	-42.1	177.8	0	0	0	0	0	113.1	L503 K865 Q866 T871 I872 I893 L929 I931	L503-A868 HydrophobicContact CD1-CB 3.58Å; L503-A868 HydrophobicContact CD2-CB 3.95Å; L503-A868 HydrophobicContact CG-CB 4.45Å; K865-A868 PolarHBondContact O-N 3.09Å; Q866-A868 VanDerWaalsContact C-N 3.35Å; Q866-A868 PolarHBondContact O-N 3.12Å; A868-T871 PolarHBondContact O-N 3.11Å; A868-I872 VanDerWaalsContact O-CG1 3.29Å; A868-I872 WeakPolarHBondContact O-CG1 3.33Å; A868-I872 PolarHBondContact O-N 3.08Å; A868-I893 HydrophobicContact CB-CD1 4.48Å; A868-I893 HydrophobicContact CB-CG2 4.03Å; A868-L929 HydrophobicContact CB-CD2 4.17Å; A868-I931 HydrophobicContact CB-CD1 3.83Å
869	L	97.2	Very high	94.3	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-65.8	-38.8	-179.5	-70.8	166.2	0	0	0	112.3	L503 L518 H822 P823 M824 K865 Q866 I872 M873	L503-L869 HydrophobicContact CB-CD2 4.2Å; L518-L869 HydrophobicContact CB-CD2 4.19Å; L518-L869 HydrophobicContact CD1-CD2 4.36Å; L518-L869 HydrophobicContact CD2-CD2 3.87Å; L518-L869 HydrophobicContact CG-CD2 4.36Å; H822-L869 WeakPolarHBondContact NE2-CD1 3.47Å; P823-L869 HydrophobicContact CG-CB 4.09Å; M824-L869 HydrophobicContact CE-CD1 3.42Å; M824-L869 VanDerWaalsContact CE-CD1 3.42Å; M824-L869 HydrophobicContact CE-CD2 3.99Å; M824-L869 HydrophobicContact CE-CG 4.38Å; K865-L869 HydrophobicContact CB-CD1 4.09Å; K865-L869 WeakPolarHBondContact O-CB 3.35Å; K865-L869 WeakPolarHBondContact O-CD1 3.33Å; K865-L869 WeakPolarHBondContact O-CG 3.48Å; K865-L869 PolarHBondContact O-N 2.93Å; Q866-L869 PolarHBondContact O-N 3.16Å; L869-I872 PolarHBondContact O-N 3.41Å; L869-M873 WeakPolarHBondContact O-CB 3.5Å; L869-M873 WeakPolarHBondContact O-CG 3.32Å; L869-M873 PolarHBondContact O-N 2.7Å
870	V	97.1	Very high	95.2	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-64.4	-43.3	174.5	167.7	0	0	0	0	110.9	I817 Q866 M873 A874 V880 P881 I887	I817-V870 HydrophobicContact CD1-CB 4Å; I817-V870 HydrophobicContact CD1-CG1 3.7Å; I817-V870 HydrophobicContact CG1-CG1 4.09Å; Q866-V870 HydrophobicContact CG-CG2 4.32Å; Q866-V870 WeakPolarHBondContact O-CB 3.44Å; Q866-V870 WeakPolarHBondContact O-CG2 3.41Å; Q866-V870 PolarHBondContact O-N 3.45Å; V870-M873 PolarHBondContact O-N 3.47Å; V870-A874 WeakPolarHBondContact O-CB 3.39Å; V870-A874 PolarHBondContact O-N 3.04Å; V870-V880 HydrophobicContact CG1-CB 4.04Å; V870-V880 HydrophobicContact CG1-CG1 4.15Å; V870-V880 HydrophobicContact CG1-CG2 4.22Å; V870-P881 HydrophobicContact CG2-CG 4.49Å; V870-I887 HydrophobicContact CG1-CD1 4.5Å
871	T	97.6	Very high	95.6	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-61.3	-42.8	173.7	-60.6	0	0	0	0	112.1	M493 V867 A868 A874 Q875 I887 V890 I893	M493-T871 HydrophobicContact CE-CG2 4.28Å; V867-T871 PolarHBondContact O-N 3.41Å; V867-T871 PolarHBondContact O-OG1 2.68Å; A868-T871 PolarHBondContact O-N 3.11Å; T871-A874 PolarHBondContact O-N 3.06Å; T871-Q875 PolarHBondContact O-N 3.24Å; T871-I887 HydrophobicContact CG2-CG2 4.11Å; T871-V890 HydrophobicContact CG2-CB 4.09Å; T871-V890 HydrophobicContact CG2-CG2 3.92Å; T871-I893 HydrophobicContact CG2-CD1 4.3Å
872	I	97.7	Very high	96	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-59.6	-50.1	175	-72.5	164.8	0	0	0	110.8	M493 I495 L503 I505 L518 P541 A868 L869 A874 Q875 I876 I893	M493-I872 HydrophobicContact SD-CG1 4.18Å; I495-I872 HydrophobicContact CD1-CD1 4.38Å; I495-I872 HydrophobicContact CD1-CG1 4.45Å; L503-I872 HydrophobicContact CD1-CD1 3.73Å; I505-I872 HydrophobicContact CD1-CD1 3.84Å; L518-I872 HydrophobicContact CD2-CG2 3.72Å; P541-I872 HydrophobicContact CG-CG2 3.96Å; A868-I872 VanDerWaalsContact O-CG1 3.29Å; A868-I872 WeakPolarHBondContact O-CG1 3.33Å; A868-I872 PolarHBondContact O-N 3.08Å; L869-I872 PolarHBondContact O-N 3.41Å; I872-A874 VanDerWaalsContact C-N 3.33Å; I872-A874 PolarHBondContact O-N 3.26Å; I872-Q875 PolarHBondContact O-N 3.36Å; I872-I876 HydrophobicContact CG2-CD1 3.64Å; I872-I876 HydrophobicContact CG2-CG1 4.4Å; I872-I876 VanDerWaalsContact O-CG1 3.29Å; I872-I876 WeakPolarHBondContact O-CG1 3.39Å; I872-I876 PolarHBondContact O-N 2.78Å; I872-I893 HydrophobicContact CD1-CD1 3.94Å; I872-I893 HydrophobicContact CG1-CD1 3.52Å
873	M	97.8	Very high	96.3	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-61.1	-40.4	179.8	-73.2	176.5	64.3	0	0	112.3	L518 L522 Y804 P823 L869 V870 I876 G877 S878 Y879 V880	L518-M873 HydrophobicContact CD1-CG 3.96Å; L518-M873 HydrophobicContact CD1-SD 3.75Å; L518-M873 HydrophobicContact CD2-CG 4.44Å; L522-M873 HydrophobicContact CD2-CE 3.94Å; Y804-M873 HydrophobicContact CE1-CE 3.77Å; P823-M873 HydrophobicContact CB-SD 3.88Å; P823-M873 HydrophobicContact CG-SD 3.46Å; P823-M873 WeakPolarHBondContact CG-SD 3.42Å; L869-M873 WeakPolarHBondContact O-CB 3.5Å; L869-M873 WeakPolarHBondContact O-CG 3.32Å; L869-M873 PolarHBondContact O-N 2.7Å; V870-M873 PolarHBondContact O-N 3.47Å; M873-I876 PolarHBondContact O-N 3.15Å; M873-G877 PolarHBondContact O-N 3.27Å; M873-S878 WeakPolarHBondContact O-CB 3.49Å; M873-S878 PolarHBondContact O-N 3.42Å; M873-Y879 WeakPolarHBondContact CE-O 3.15Å; M873-V880 HydrophobicContact CB-CG1 3.83Å
874	A	97.6	Very high	96.5	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-61.6	-46.5	174.5	0	0	0	0	0	112.2	I548 P807 L809 V870 T871 I872 I876 G877 V880 I887	I548-A874 VanDerWaalsContact CG2-O 3.24Å; I548-A874 WeakPolarHBondContact CG2-O 3.39Å; P807-A874 HydrophobicContact CB-CB 3.97Å; P807-A874 HydrophobicContact CG-CB 3.9Å; L809-A874 HydrophobicContact CD1-CB 4.46Å; L809-A874 HydrophobicContact CD2-CB 4.25Å; V870-A874 WeakPolarHBondContact O-CB 3.39Å; V870-A874 PolarHBondContact O-N 3.04Å; T871-A874 PolarHBondContact O-N 3.06Å; I872-A874 VanDerWaalsContact C-N 3.33Å; I872-A874 PolarHBondContact O-N 3.26Å; A874-I876 VanDerWaalsContact C-N 3.34Å; A874-I876 PolarHBondContact O-N 3.44Å; A874-G877 PolarHBondContact O-N 3.07Å; A874-G877 VanDerWaalsContact O-N 3.08Å; A874-V880 HydrophobicContact CB-CG1 4.23Å; A874-I887 HydrophobicContact CB-CB 4.19Å; A874-I887 HydrophobicContact CB-CG1 3.93Å; A874-I887 HydrophobicContact CB-CG2 4.2Å
875	Q	97.6	Very high	96.7	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-77.2	-12	179.6	-77.9	179.6	-112.4	0	0	114.7	M493 P541 L542 I548 L809 T871 I872 G877 V890	M493-Q875 HydrophobicContact CE-CB 4.01Å; M493-Q875 HydrophobicContact CE-CG 4.22Å; P541-Q875 HydrophobicContact CB-CB 3.9Å; L542-Q875 WeakPolarHBondContact CB-O 3.44Å; L542-Q875 PolarHBondContact N-O 3.33Å; L542-Q875 PolarHBondContact O-NE2 3.39Å; I548-Q875 HydrophobicContact CD1-CG 4.19Å; L809-Q875 HydrophobicContact CD1-CG 4.36Å; T871-Q875 PolarHBondContact O-N 3.24Å; I872-Q875 PolarHBondContact O-N 3.36Å; Q875-G877 VanDerWaalsContact C-N 3.26Å; Q875-V890 PolarHBondContact NE2-O 2.71Å
876	I	97.7	Very high	96.9	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-70.6	-26.5	164.4	-73.5	162.7	0	0	0	111.3	L522 V538 P541 R551 L795 I872 M873 A874	L522-I876 HydrophobicContact CD1-CD1 4.17Å; V538-I876 HydrophobicContact CB-CD1 4.4Å; V538-I876 HydrophobicContact CG2-CD1 4.05Å; P541-I876 HydrophobicContact CB-CG1 4.16Å; P541-I876 HydrophobicContact CG-CG1 4.08Å; R551-I876 VanDerWaalsContact CD-O 3.26Å; R551-I876 WeakPolarHBondContact CD-O 3.32Å; R551-I876 PolarHBondContact NH1-O 2.69Å; R551-I876 VanDerWaalsContact NH1-O 3.08Å; L795-I876 HydrophobicContact CD1-CG2 4.22Å; I872-I876 HydrophobicContact CG2-CD1 3.64Å; I872-I876 HydrophobicContact CG2-CG1 4.4Å; I872-I876 VanDerWaalsContact O-CG1 3.29Å; I872-I876 WeakPolarHBondContact O-CG1 3.39Å; I872-I876 PolarHBondContact O-N 2.78Å; M873-I876 PolarHBondContact O-N 3.15Å; A874-I876 VanDerWaalsContact C-N 3.34Å; A874-I876 PolarHBondContact O-N 3.44Å
877	G	97.1	Very high	97	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.2	28.4	-167.7	0	0	0	0	0	113.5	M873 A874 Q875	M873-G877 PolarHBondContact O-N 3.27Å; A874-G877 PolarHBondContact O-N 3.07Å; A874-G877 VanDerWaalsContact O-N 3.08Å; Q875-G877 VanDerWaalsContact C-N 3.26Å
878	S	97.8	Very high	97	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.07	C	C	.	.			trans	-102.2	155.5	177.1	-173.9	0	0	0	0	111.9	L552 P807 M873	L552-S878 WeakPolarHBondContact CD2-O 3.49Å; P807-S878 WeakPolarHBondContact CG-O 3.22Å; M873-S878 WeakPolarHBondContact O-CB 3.49Å; M873-S878 PolarHBondContact O-N 3.42Å
879	Y	97.9	Very high	97	Very high	19 Å²	19	15.1 Å²	15.1	8%	0.075	7%	0.074	C	C	.	.			trans	-65.5	157.9	160.1	-79	41	0	0	0	109.9	L552 V555 S556 L559 A799 C805 R806 M873	L552-Y879 HydrophobicContact CD2-CD1 4.3Å; V555-Y879 HydrophobicContact CG1-CD1 3.81Å; V555-Y879 HydrophobicContact CG1-CE1 3.8Å; S556-Y879 PolarHBondContact OG-OH 3.35Å; L559-Y879 HydrophobicContact CD1-CD2 4.35Å; L559-Y879 HydrophobicContact CD1-CE1 3.98Å; L559-Y879 HydrophobicContact CD1-CE2 3.73Å; A799-Y879 HydrophobicContact CB-CD1 4.08Å; A799-Y879 HydrophobicContact CB-CD2 3.74Å; A799-Y879 HydrophobicContact CB-CE2 4.39Å; A799-Y879 HydrophobicContact CB-CG 3.56Å; C805-Y879 VanDerWaalsContact C-CD2 3.44Å; C805-Y879 WeakPolarHBondContact O-CA 3.22Å; C805-Y879 WeakPolarHBondContact O-CB 3.39Å; R806-Y879 HydrophobicContact CB-CD1 4.27Å; R806-Y879 HydrophobicContact CB-CD2 4.42Å; R806-Y879 HydrophobicContact CB-CE1 3.79Å; R806-Y879 HydrophobicContact CB-CE2 3.96Å; R806-Y879 HydrophobicContact CG-CD1 4.43Å; R806-Y879 HydrophobicContact CG-CE1 3.85Å; M873-Y879 WeakPolarHBondContact CE-O 3.15Å
880	V	97.2	Very high	96.9	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.074	C	C	.	.	B	Isolated β-bridge	trans	-124.7	147.5	-173.6	-60.6	0	0	0	0	112.3	Y804 C805 P807 V870 M873 A874 A882 A885	Y804-V880 CarbonylContact C-O 3.55Å; Y804-V880 VanDerWaalsContact CA-O 3.29Å; Y804-V880 WeakPolarHBondContact CA-O 3.5Å; C805-V880 PolarHBondContact N-O 3.08Å; C805-V880 PolarHBondContact O-N 3.09Å; P807-V880 HydrophobicContact CB-CG2 4.27Å; P807-V880 HydrophobicContact CG-CG1 4.28Å; V870-V880 HydrophobicContact CG1-CB 4.04Å; V870-V880 HydrophobicContact CG1-CG1 4.15Å; V870-V880 HydrophobicContact CG1-CG2 4.22Å; M873-V880 HydrophobicContact CB-CG1 3.83Å; A874-V880 HydrophobicContact CB-CG1 4.23Å; V880-A882 VanDerWaalsContact C-N 3.29Å; V880-A882 HydrophobicContact CG2-CB 4.29Å; V880-A882 PolarHBondContact O-N 3.3Å; V880-A885 HydrophobicContact CG2-CB 3.56Å
881	P	95.3	Very high	96.8	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.081	C	C	.	.	S	Bend	trans	-73.9	80.1	178	29.5	-34.6	0	0	0	111.1	Y804 G820 R821 P823 V870	Y804-P881 HydrophobicContact CD2-CB 4.1Å; Y804-P881 HydrophobicContact CE1-CB 4.22Å; Y804-P881 HydrophobicContact CE1-CG 4.39Å; Y804-P881 HydrophobicContact CE2-CB 3.63Å; G820-P881 CarbonylContact C-O 3.5Å; G820-P881 VanDerWaalsContact CA-O 3.3Å; G820-P881 WeakPolarHBondContact CA-O 3.49Å; R821-P881 HydrophobicContact CB-CB 4.39Å; R821-P881 PolarHBondContact N-O 3.11Å; R821-P881 WeakPolarHBondContact O-CG 3.45Å; P823-P881 HydrophobicContact CB-CG 4.3Å; P823-P881 HydrophobicContact CG-CG 3.85Å; V870-P881 HydrophobicContact CG2-CG 4.49Å
882	A	94.9	Very high	96.7	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.008	8%	0.081	C	C	.	.	S	Bend	trans	-154.3	165.7	178.4	0	0	0	0	0	109.8	N803 C805 I817 V880	N803-A882 PolarHBondContact O-N 3.37Å; C805-A882 WeakPolarHBondContact CB-O 3.38Å; C805-A882 PolarHBondContact N-O 2.7Å; I817-A882 HydrophobicContact CG2-CB 3.89Å; V880-A882 VanDerWaalsContact C-N 3.29Å; V880-A882 HydrophobicContact CG2-CB 4.29Å; V880-A882 PolarHBondContact O-N 3.3Å
883	E	94.8	Very high	96.6	Very high	125 Å²	125	16.5 Å²	16.5	58%	0.584	8%	0.081	S	C	*	.	S	Bend	trans	-77.3	-47.2	170.3	-175.6	179.4	178.5	0	0	110.3	C805 K818 N819	C805-E883 WeakPolarHBondContact CB-O 3.28Å; K818-E883 HydrophobicContact CB-CB 4.33Å; K818-E883 PolarHBondContact O-N 3.41Å; N819-E883 HydrophobicContact CB-CB 4.18Å; N819-E883 PolarHBondContact ND2-OE2 3.49Å
884	E	96.5	Very high	96.5	Very high	122 Å²	122	16.5 Å²	16.5	57%	0.57	8%	0.081	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-138.2	147.7	171	-55.2	-176.5	144.3	0	0	110	K818	K818-E884 HydrophobicContact CB-CB 3.97Å; K818-E884 HydrophobicContact CB-CG 4.45Å; K818-E884 HydrophobicContact CG-CB 3.92Å; K818-E884 HydrophobicContact CG-CG 4.38Å; K818-E884 PolarHBondContact N-O 3.05Å
885	A	97.5	Very high	96.2	Very high	5 Å²	5	16.7 Å²	16.7	4%	0.041	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	130.9	172.4	0	0	0	0	0	111.7	P807 T808 I816 V880	P807-A885 WeakPolarHBondContact CA-O 3.45Å; P807-A885 HydrophobicContact CB-CB 4.21Å; T808-A885 PolarHBondContact N-O 2.62Å; I816-A885 CarbonylContact O-C 3.51Å; I816-A885 WeakPolarHBondContact O-CA 3.01Å; V880-A885 HydrophobicContact CG2-CB 3.56Å
886	T	97.6	Very high	95.9	Very high	32 Å²	32	17.4 Å²	17.4	20%	0.196	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	116.2	170.4	-60.8	0	0	0	0	109.1	T808 Q810 K814 I816	T808-T886 CarbonylContact O-C 3.55Å; T808-T886 WeakPolarHBondContact O-CA 3.29Å; Q810-T886 HydrophobicContact CG-CG2 3.98Å; Q810-T886 VanDerWaalsContact OE1-CG2 3.27Å; K814-T886 HydrophobicContact CD-CG2 4.14Å; I816-T886 PolarHBondContact N-O 2.69Å; I816-T886 PolarHBondContact O-N 2.87Å
887	I	97.5	Very high	95.2	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	119.4	-169.3	-57.7	-62.2	0	0	0	109.5	T808 L809 Q810 K814 I815 I817 V870 T871 A874	T808-I887 PolarHBondContact O-N 3.18Å; L809-I887 CarbonylContact C-O 3.2Å; L809-I887 VanDerWaalsContact CA-O 3.29Å; L809-I887 WeakPolarHBondContact CA-O 3.14Å; L809-I887 HydrophobicContact CD1-CB 4.3Å; L809-I887 HydrophobicContact CD1-CG2 4.31Å; Q810-I887 PolarHBondContact N-O 3.03Å; K814-I887 CarbonylContact O-C 3.45Å; K814-I887 WeakPolarHBondContact O-CA 3.34Å; I815-I887 HydrophobicContact CB-CD1 4.5Å; I815-I887 HydrophobicContact CG2-CD1 3.99Å; I817-I887 HydrophobicContact CG1-CD1 4.39Å; V870-I887 HydrophobicContact CG1-CD1 4.5Å; T871-I887 HydrophobicContact CG2-CG2 4.11Å; A874-I887 HydrophobicContact CB-CB 4.19Å; A874-I887 HydrophobicContact CB-CG1 3.93Å; A874-I887 HydrophobicContact CB-CG2 4.2Å
888	G	96.3	Very high	93.8	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	145	163.8	0	0	0	0	0	110.7	Q810 E812 K814 V890	Q810-G888 CarbonylContact O-C 3.58Å; Q810-G888 VanDerWaalsContact O-CA 3.3Å; Q810-G888 WeakPolarHBondContact O-CA 3.33Å; E812-G888 WeakPolarHBondContact O-CA 3.27Å; K814-G888 PolarHBondContact O-N 3.08Å; G888-V890 PolarHBondContact O-N 3.4Å
889	I	96.6	Very high	91.8	Very high	14 Å²	14	23.8 Å²	23.8	7%	0.072	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-63.2	116.9	177.6	-70.9	158.4	0	0	0	110.3	L543 L545 I548 Q810	L543-I889 HydrophobicContact CB-CG2 4.35Å; L543-I889 HydrophobicContact CD2-CG2 4.02Å; L545-I889 HydrophobicContact CB-CD1 3.68Å; L545-I889 HydrophobicContact CD1-CD1 3.88Å; L545-I889 HydrophobicContact CG-CD1 4.29Å; I548-I889 HydrophobicContact CD1-CD1 4.48Å; I548-I889 HydrophobicContact CD1-CG1 4.31Å; Q810-I889 PolarHBondContact O-N 3.04Å
890	V	96	Very high	89.7	Confident	1 Å²	1	26.8 Å²	26.8	1%	0.006	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-94.7	130	175.9	169.9	0	0	0	0	109.6	M493 L543 T871 Q875 G888 G892 I893 L929	M493-V890 HydrophobicContact CE-CB 4.45Å; L543-V890 VanDerWaalsContact CD2-O 3.27Å; L543-V890 WeakPolarHBondContact CD2-O 3.31Å; T871-V890 HydrophobicContact CG2-CB 4.09Å; T871-V890 HydrophobicContact CG2-CG2 3.92Å; Q875-V890 PolarHBondContact NE2-O 2.71Å; G888-V890 PolarHBondContact O-N 3.4Å; V890-G892 WeakPolarHBondContact CG1-O 3.3Å; V890-I893 HydrophobicContact CG1-CG1 4.02Å; V890-L929 HydrophobicContact CG1-CB 3.93Å; V890-L929 HydrophobicContact CG2-CB 4.49Å
891	D	94.9	Very high	87.4	Confident	28 Å²	28	31.6 Å²	31.6	15%	0.15	19%	0.192	C	C	.	.	S	Bend	trans	-78.3	-24	-178	74.9	-30.9	0	0	0	113.7	M493 R494 S925 Q927 S928	M493-D891 WeakPolarHBondContact CA-O 3.3Å; R494-D891 PolarHBondContact N-O 2.74Å; D891-S925 PolarHBondContact OD1-OG 3.4Å; D891-S925 VanDerWaalsContact OD2-CB 3.27Å; D891-S925 WeakPolarHBondContact OD2-CB 3.34Å; D891-S925 PolarHBondContact OD2-OG 3.17Å; D891-Q927 HydrophobicContact CB-CB 4.35Å; D891-S928 WeakPolarHBondContact OD1-CA 3.44Å; D891-S928 WeakPolarHBondContact OD1-CB 3.48Å; D891-S928 PolarHBondContact OD1-N 2.75Å; D891-S928 VanDerWaalsContact OD1-N 3.11Å; D891-S928 PolarHBondContact OD1-OG 3.38Å
892	G	94.3	Very high	85.3	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.3	149.5	178.6	0	0	0	0	0	113.5	R494 V890 S928 L929	R494-G892 CarbonylContact O-C 3.58Å; R494-G892 WeakPolarHBondContact O-CA 3.45Å; V890-G892 WeakPolarHBondContact CG1-O 3.3Å; G892-S928 WeakPolarHBondContact O-CA 3.3Å; G892-L929 PolarHBondContact O-N 3.21Å
893	I	96.1	Very high	83.1	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	111.8	178.4	-59.8	179.2	0	0	0	109.6	M493 R494 T499 L503 A868 T871 I872 V890 T895 L929	M493-I893 HydrophobicContact CE-CD1 3.92Å; M493-I893 HydrophobicContact CE-CG1 4.28Å; M493-I893 HydrophobicContact SD-CB 4.5Å; M493-I893 HydrophobicContact SD-CD1 3.51Å; M493-I893 VanDerWaalsContact SD-CD1 3.51Å; M493-I893 HydrophobicContact SD-CG1 3.67Å; R494-I893 PolarHBondContact O-N 2.78Å; T499-I893 HydrophobicContact CG2-CB 4.42Å; T499-I893 HydrophobicContact CG2-CG2 4.02Å; T499-I893 WeakPolarHBondContact CG2-O 3.18Å; T499-I893 PolarHBondContact OG1-O 3.12Å; L503-I893 HydrophobicContact CD1-CG2 4.17Å; A868-I893 HydrophobicContact CB-CD1 4.48Å; A868-I893 HydrophobicContact CB-CG2 4.03Å; T871-I893 HydrophobicContact CG2-CD1 4.3Å; I872-I893 HydrophobicContact CD1-CD1 3.94Å; I872-I893 HydrophobicContact CG1-CD1 3.52Å; V890-I893 HydrophobicContact CG1-CG1 4.02Å; I893-T895 HydrophobicContact CG2-CG2 4.26Å; I893-L929 WeakPolarHBondContact CA-O 3.22Å; I893-L929 HydrophobicContact CD1-CD2 4.45Å; I893-L929 HydrophobicContact CG1-CB 4.25Å; I893-L929 HydrophobicContact CG1-CD2 4.43Å; I893-L929 HydrophobicContact CG2-CD2 4.44Å
894	F	94.8	Very high	80.7	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	113.3	-175.1	-64.5	-78.4	0	0	0	109.8	I920 R923 A924 L929 I931	F894-I920 HydrophobicContact CB-CB 4.4Å; F894-I920 HydrophobicContact CB-CD1 4.18Å; F894-I920 HydrophobicContact CB-CG1 3.96Å; F894-I920 HydrophobicContact CB-CG2 3.69Å; F894-I920 HydrophobicContact CD1-CG1 4.26Å; F894-I920 HydrophobicContact CG-CG1 4.46Å; F894-I920 HydrophobicContact CG-CG2 4.13Å; F894-R923 HydrophobicContact CE1-CB 3.87Å; F894-R923 HydrophobicContact CZ-CB 3.86Å; F894-A924 HydrophobicContact CD2-CB 4.21Å; F894-A924 HydrophobicContact CE2-CB 4.38Å; F894-L929 PolarHBondContact N-O 3.28Å; F894-I931 PolarHBondContact O-N 2.97Å
895	T	92.9	Very high	78.4	Confident	4 Å²	4	41.3 Å²	41.3	3%	0.025	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	134.5	178	66.3	0	0	0	0	111.4	T499 N502 L503 I893 M897 I931	T499-T895 VanDerWaalsContact CA-OG1 3.26Å; T499-T895 WeakPolarHBondContact CA-OG1 3.08Å; T499-T895 HydrophobicContact CG2-CG2 3.83Å; T499-T895 PolarHBondContact OG1-N 2.91Å; T499-T895 VanDerWaalsContact OG1-N 3.14Å; T499-T895 PolarHBondContact OG1-OG1 3.1Å; T499-T895 VanDerWaalsContact OG1-OG1 3.09Å; N502-T895 PolarHBondContact ND2-OG1 2.81Å; N502-T895 VanDerWaalsContact ND2-OG1 3.09Å; L503-T895 HydrophobicContact CD1-CG2 4.32Å; L503-T895 HydrophobicContact CD2-CG2 4.12Å; L503-T895 HydrophobicContact CG-CG2 4.15Å; I893-T895 HydrophobicContact CG2-CG2 4.26Å; T895-M897 HydrophobicContact CG2-SD 4.44Å; T895-I931 CarbonylContact C-O 3.53Å; T895-I931 WeakPolarHBondContact CA-O 3.38Å; T895-I931 HydrophobicContact CG2-CB 4.1Å; T895-I931 HydrophobicContact CG2-CD1 4.24Å; T895-I931 HydrophobicContact CG2-CG2 4.39Å
896	R	90	Very high	76.1	Confident	15 Å²	15	44.6 Å²	44.6	6%	0.057	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	105.5	160.1	-172.6	-80.6	130.5	144.3	29.2	106.1	E913 I920 I931 L932 D933 E934	R896-E913 VanDerWaalsContact CZ-CD 3.44Å; R896-E913 IonicContact CZ-OE2 3.52Å; R896-E913 VanDerWaalsContact CZ-OE2 3.26Å; R896-E913 VanDerWaalsContact NH1-CD 3.26Å; R896-E913 IonicContact NH1-OE1 3.41Å; R896-E913 IonicContact NH1-OE2 3.56Å; R896-E913 PolarHBondContact NH1-OE2 2.84Å; R896-E913 VanDerWaalsContact NH1-OE2 3.16Å; R896-E913 VanDerWaalsContact NH2-CG 3.31Å; R896-E913 IonicContact NH2-OE2 2.66Å; R896-E913 PolarHBondContact NH2-OE2 3.07Å; R896-I920 HydrophobicContact CB-CD1 4.06Å; R896-I931 PolarHBondContact N-O 3.37Å; R896-L932 HydrophobicContact CB-CD2 3.69Å; R896-D933 PolarHBondContact NH1-O 3.45Å; R896-D933 WeakPolarHBondContact O-CB 3.4Å; R896-D933 PolarHBondContact O-N 3.26Å; R896-E934 PolarHBondContact NH1-O 3.15Å; R896-E934 VanDerWaalsContact NH1-O 3.13Å
897	M	82.5	Confident	74.2	Confident	21 Å²	21	48.2 Å²	48.2	10%	0.103	28%	0.277	C	S	.	.			trans	-140.7	154.1	-176.5	-59.8	-178.2	78.7	0	0	111	N502 I864 K865 T895 I931 D933	N502-M897 HydrophobicContact CB-CB 4.33Å; I864-M897 HydrophobicContact CB-CE 4.06Å; I864-M897 HydrophobicContact CG2-CE 3.61Å; I864-M897 HydrophobicContact CG2-SD 4.1Å; K865-M897 HydrophobicContact CG-CE 4.31Å; T895-M897 HydrophobicContact CG2-SD 4.44Å; M897-I931 HydrophobicContact CG-CG2 4.11Å; M897-I931 HydrophobicContact SD-CG2 3.98Å; M897-D933 HydrophobicContact CB-CB 4.39Å; M897-D933 HydrophobicContact CG-CB 4.03Å
898	G	67.6	Low	72.6	Confident	40 Å²	40	51.5 Å²	51.5	41%	0.412	30%	0.3	S	S	.	.	S	Bend	trans	73.2	-177.6	172.9	0	0	0	0	0	115.8	R937	G898-R937 PolarHBondContact O-NH1 3.36Å; G898-R937 PolarHBondContact O-NH2 3.47Å
899	A	56.1	Low	71.4	Confident	72 Å²	72	54 Å²	54	60%	0.595	32%	0.316	S	S	*	.			trans	-134.5	105.9	179.4	0	0	0	0	0	109.3	R937	A899-R937 VanDerWaalsContact CB-NH2 3.33Å
900	A	54	Low	70.7	Confident	82 Å²	82	54.9 Å²	54.9	68%	0.678	32%	0.319	S	S	*	.			trans	-127	118.1	178.5	0	0	0	0	0	109.6
901	D	49.8	Very low	70.1	Confident	101 Å²	101	59.8 Å²	59.8	54%	0.54	34%	0.343	S	S	.	.			trans	-93.3	116.7	-167.1	-64.6	1	0	0	0	112.5	I903 T909	D901-I903 HydrophobicContact CB-CD1 4.41Å; D901-I903 HydrophobicContact CB-CG1 3.86Å; D901-I903 PolarHBondContact O-N 3.27Å; D901-T909 HydrophobicContact CB-CG2 4.13Å; D901-T909 WeakPolarHBondContact OD1-CG2 3.35Å
902	N	50.2	Low	69.3	Low	35 Å²	35	60 Å²	60	19%	0.187	34%	0.343	C	S	.	.			trans	-84.1	58.5	169.2	-82.8	-87.1	0	0	0	112.6	R400 Y904 K905 E912	R400-N902 PolarHBondContact NE-OD1 3.32Å; R400-N902 VanDerWaalsContact NE-OD1 3.16Å; R400-N902 PolarHBondContact NH2-ND2 3.48Å; R400-N902 PolarHBondContact NH2-OD1 3.28Å; N902-Y904 PolarHBondContact O-N 3.44Å; N902-Y904 VanDerWaalsContact O-N 3.09Å; N902-K905 PolarHBondContact O-N 3.33Å; N902-E912 VanDerWaalsContact CB-OE2 3.26Å; N902-E912 WeakPolarHBondContact CB-OE2 3.49Å; N902-E912 VanDerWaalsContact CG-OE2 3.3Å; N902-E912 PolarHBondContact ND2-OE2 3.2Å
903	I	48.4	Very low	68.8	Low	134 Å²	134	60.3 Å²	60.3	69%	0.687	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-48.2	-41.4	177.1	-54.5	178.9	0	0	0	111.1	D901 K905 G906	D901-I903 HydrophobicContact CB-CD1 4.41Å; D901-I903 HydrophobicContact CB-CG1 3.86Å; D901-I903 PolarHBondContact O-N 3.27Å; I903-K905 PolarHBondContact O-N 3.42Å; I903-K905 VanDerWaalsContact O-N 3.13Å; I903-G906 PolarHBondContact O-N 2.93Å; I903-G906 VanDerWaalsContact O-N 3.11Å
904	Y	45.2	Very low	68.5	Low	233 Å²	233	62.7 Å²	62.7	91%	0.914	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-58.2	-22.5	179	-64.6	-78.2	0	0	0	115.9	N902	N902-Y904 PolarHBondContact O-N 3.44Å; N902-Y904 VanDerWaalsContact O-N 3.09Å
905	K	48.8	Very low	68.1	Low	50 Å²	50	64.7 Å²	64.7	22%	0.217	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-94.1	-5.6	179.1	-78.6	-177.3	173.8	171.5	0	113.5	M396 R400 N902 I903 R907	M396-K905 HydrophobicContact SD-CG 4.44Å; R400-K905 VanDerWaalsContact NH2-NZ 3.18Å; N902-K905 PolarHBondContact O-N 3.33Å; I903-K905 PolarHBondContact O-N 3.42Å; I903-K905 VanDerWaalsContact O-N 3.13Å; K905-R907 HydrophobicContact CB-CB 4.42Å; K905-R907 HydrophobicContact CB-CG 4.11Å; K905-R907 PolarHBondContact O-N 2.95Å; K905-R907 VanDerWaalsContact O-N 3.12Å
906	G	49.7	Very low	67.8	Low	75 Å²	75	66.2 Å²	66.2	77%	0.773	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	16.3	-172.1	0	0	0	0	0	113.9	I903	I903-G906 PolarHBondContact O-N 2.93Å; I903-G906 VanDerWaalsContact O-N 3.11Å
907	R	56.9	Low	67.9	Low	107 Å²	107	65.7 Å²	65.7	40%	0.404	38%	0.376	S	S	.	.			trans	-90.9	135.7	176.7	-69.1	-177.8	179.1	-167.2	-1.9	108.9	K905 E912	K905-R907 HydrophobicContact CB-CB 4.42Å; K905-R907 HydrophobicContact CB-CG 4.11Å; K905-R907 PolarHBondContact O-N 2.95Å; K905-R907 VanDerWaalsContact O-N 3.12Å; R907-E912 HydrophobicContact CB-CG 4.42Å
908	S	63	Low	68.3	Low	70 Å²	70	66.3 Å²	66.3	49%	0.49	38%	0.384	S	S	.	.			trans	-60.9	142.3	169.8	178.5	0	0	0	0	110.1	F910 M911 E912	S908-F910 PolarHBondContact O-N 3.17Å; S908-F910 PolarHBondContact OG-N 3.38Å; S908-M911 WeakPolarHBondContact O-CB 3.33Å; S908-M911 PolarHBondContact O-N 3.42Å; S908-E912 PolarHBondContact O-N 3.38Å
909	T	71.3	Confident	69.2	Low	53 Å²	53	65.2 Å²	65.2	33%	0.325	37%	0.368	S	S	.	.	H	α-helix	trans	-52.4	-38	174	54.9	0	0	0	0	111.5	D901 M911 E912 E913	D901-T909 HydrophobicContact CB-CG2 4.13Å; D901-T909 WeakPolarHBondContact OD1-CG2 3.35Å; T909-M911 VanDerWaalsContact C-N 3.33Å; T909-M911 PolarHBondContact O-N 3.37Å; T909-E912 PolarHBondContact O-N 3.19Å; T909-E913 WeakPolarHBondContact O-CB 3.31Å; T909-E913 PolarHBondContact O-N 2.98Å
910	F	82.9	Confident	71	Confident	31 Å²	31	62.1 Å²	62.1	14%	0.136	34%	0.342	C	S	.	.	H	α-helix	trans	-63.7	-32.2	175.5	-174.3	-122.7	0	0	0	113.7	S908 L914 T939 I947	S908-F910 PolarHBondContact O-N 3.17Å; S908-F910 PolarHBondContact OG-N 3.38Å; F910-L914 HydrophobicContact CD1-CD1 4.19Å; F910-L914 HydrophobicContact CD2-CG 4.31Å; F910-L914 HydrophobicContact CE1-CD1 3.59Å; F910-L914 HydrophobicContact CE1-CG 4.27Å; F910-L914 HydrophobicContact CE2-CD1 4.1Å; F910-L914 HydrophobicContact CE2-CD2 4.03Å; F910-L914 HydrophobicContact CE2-CG 3.92Å; F910-L914 HydrophobicContact CZ-CD1 3.54Å; F910-L914 HydrophobicContact CZ-CD2 4.12Å; F910-L914 HydrophobicContact CZ-CG 3.9Å; F910-L914 WeakPolarHBondContact O-CB 3.47Å; F910-L914 WeakPolarHBondContact O-CG 3.44Å; F910-L914 PolarHBondContact O-N 3.36Å; F910-T939 HydrophobicContact CD2-CG2 4.39Å; F910-T939 HydrophobicContact CE1-CG2 3.92Å; F910-T939 HydrophobicContact CE2-CG2 3.63Å; F910-T939 HydrophobicContact CZ-CG2 3.35Å; F910-I947 HydrophobicContact CZ-CD1 3.82Å
911	M	81.9	Confident	72.8	Confident	105 Å²	105	60.7 Å²	60.7	52%	0.517	32%	0.322	S	S	.	.	H	α-helix	trans	-72.4	-35.9	178.3	-176.3	58.1	60.1	0	0	111.6	S908 T909 T915	S908-M911 WeakPolarHBondContact O-CB 3.33Å; S908-M911 PolarHBondContact O-N 3.42Å; T909-M911 VanDerWaalsContact C-N 3.33Å; T909-M911 PolarHBondContact O-N 3.37Å; M911-T915 WeakPolarHBondContact O-CB 3.36Å; M911-T915 PolarHBondContact O-N 3.14Å; M911-T915 PolarHBondContact O-OG1 2.82Å
912	E	79.1	Confident	74.7	Confident	32 Å²	32	64 Å²	64	15%	0.15	33%	0.327	C	S	.	.	H	α-helix	trans	-74.7	-38.9	174.1	-63.5	-164.5	150.9	0	0	111.2	R400 N902 R907 S908 T909 L914 T915 D916	R400-E912 IonicContact NH2-OE1 3.11Å; N902-E912 VanDerWaalsContact CB-OE2 3.26Å; N902-E912 WeakPolarHBondContact CB-OE2 3.49Å; N902-E912 VanDerWaalsContact CG-OE2 3.3Å; N902-E912 PolarHBondContact ND2-OE2 3.2Å; R907-E912 HydrophobicContact CB-CG 4.42Å; S908-E912 PolarHBondContact O-N 3.38Å; T909-E912 PolarHBondContact O-N 3.19Å; E912-L914 PolarHBondContact O-N 3.17Å; E912-T915 WeakPolarHBondContact O-CB 3.38Å; E912-T915 PolarHBondContact O-N 3.5Å; E912-T915 VanDerWaalsContact O-N 3.12Å; E912-D916 PolarHBondContact O-N 3.49Å
913	E	84.6	Confident	76.5	Confident	7 Å²	7	65 Å²	65	3%	0.033	33%	0.328	C	S	.	.	H	α-helix	trans	-52.5	-52.5	169.3	171.4	173.2	146	0	0	112.7	R896 T909 T915 D916 T917 L935 G936 R937	R896-E913 VanDerWaalsContact CZ-CD 3.44Å; R896-E913 IonicContact CZ-OE2 3.52Å; R896-E913 VanDerWaalsContact CZ-OE2 3.26Å; R896-E913 VanDerWaalsContact NH1-CD 3.26Å; R896-E913 IonicContact NH1-OE1 3.41Å; R896-E913 IonicContact NH1-OE2 3.56Å; R896-E913 PolarHBondContact NH1-OE2 2.84Å; R896-E913 VanDerWaalsContact NH1-OE2 3.16Å; R896-E913 VanDerWaalsContact NH2-CG 3.31Å; R896-E913 IonicContact NH2-OE2 2.66Å; R896-E913 PolarHBondContact NH2-OE2 3.07Å; T909-E913 WeakPolarHBondContact O-CB 3.31Å; T909-E913 PolarHBondContact O-N 2.98Å; E913-T915 VanDerWaalsContact C-N 3.31Å; E913-T915 PolarHBondContact O-N 3.37Å; E913-D916 PolarHBondContact O-N 3.19Å; E913-T917 PolarHBondContact O-N 2.82Å; E913-T917 PolarHBondContact O-OG1 2.8Å; E913-L935 HydrophobicContact CG-CD1 4.22Å; E913-G936 PolarHBondContact OE1-N 3.37Å; E913-R937 IonicContact OE2-CZ 3.21Å; E913-R937 IonicContact OE2-NH2 2.93Å
914	L	88.3	Confident	78.7	Confident	50 Å²	50	59.2 Å²	59.2	26%	0.262	30%	0.301	S	S	.	.	H	α-helix	trans	-67.9	-28.8	176.9	-69	-175.2	0	0	0	113.1	F910 E912 A918 L935 I947	F910-L914 HydrophobicContact CD1-CD1 4.19Å; F910-L914 HydrophobicContact CD2-CG 4.31Å; F910-L914 HydrophobicContact CE1-CD1 3.59Å; F910-L914 HydrophobicContact CE1-CG 4.27Å; F910-L914 HydrophobicContact CE2-CD1 4.1Å; F910-L914 HydrophobicContact CE2-CD2 4.03Å; F910-L914 HydrophobicContact CE2-CG 3.92Å; F910-L914 HydrophobicContact CZ-CD1 3.54Å; F910-L914 HydrophobicContact CZ-CD2 4.12Å; F910-L914 HydrophobicContact CZ-CG 3.9Å; F910-L914 WeakPolarHBondContact O-CB 3.47Å; F910-L914 WeakPolarHBondContact O-CG 3.44Å; F910-L914 PolarHBondContact O-N 3.36Å; E912-L914 PolarHBondContact O-N 3.17Å; L914-A918 WeakPolarHBondContact O-CB 3.33Å; L914-A918 PolarHBondContact O-N 3.5Å; L914-L935 HydrophobicContact CD2-CD1 4.48Å; L914-I947 HydrophobicContact CD2-CG2 4.02Å
915	T	86.6	Confident	81	Confident	41 Å²	41	49.5 Å²	49.5	25%	0.252	27%	0.267	S	S	.	.	H	α-helix	trans	-67.9	-45.1	176.1	-62	0	0	0	0	110.9	M911 E912 E913 A918 E919	M911-T915 WeakPolarHBondContact O-CB 3.36Å; M911-T915 PolarHBondContact O-N 3.14Å; M911-T915 PolarHBondContact O-OG1 2.82Å; E912-T915 WeakPolarHBondContact O-CB 3.38Å; E912-T915 PolarHBondContact O-N 3.5Å; E912-T915 VanDerWaalsContact O-N 3.12Å; E913-T915 VanDerWaalsContact C-N 3.31Å; E913-T915 PolarHBondContact O-N 3.37Å; T915-A918 PolarHBondContact O-N 2.87Å; T915-E919 PolarHBondContact O-N 3.2Å; T915-E919 VanDerWaalsContact O-N 3.1Å
916	D	86.9	Confident	83.2	Confident	37 Å²	37	50.5 Å²	50.5	20%	0.198	28%	0.278	C	S	.	.	H	α-helix	trans	-64.4	-48.1	176.3	-80.5	15.1	0	0	0	110.4	E912 E913 A918 E919 I920	E912-D916 PolarHBondContact O-N 3.49Å; E913-D916 PolarHBondContact O-N 3.19Å; D916-A918 VanDerWaalsContact C-N 3.35Å; D916-A918 PolarHBondContact O-N 3.16Å; D916-E919 PolarHBondContact O-N 3.27Å; D916-E919 VanDerWaalsContact O-N 3.09Å; D916-I920 WeakPolarHBondContact O-CG1 3.41Å; D916-I920 PolarHBondContact O-N 3.07Å
917	T	91.3	Very high	85.3	Confident	4 Å²	4	50.5 Å²	50.5	3%	0.025	26%	0.258	C	S	.	.	H	α-helix	trans	-60	-40.7	176.4	-66	0	0	0	0	112.7	E913 E919 I920 I921 L935 T951	E913-T917 PolarHBondContact O-N 2.82Å; E913-T917 PolarHBondContact O-OG1 2.8Å; T917-E919 VanDerWaalsContact C-N 3.28Å; T917-E919 PolarHBondContact O-N 3Å; T917-I920 PolarHBondContact O-N 3.07Å; T917-I921 HydrophobicContact CG2-CD1 3.99Å; T917-I921 WeakPolarHBondContact O-CG1 3.27Å; T917-I921 PolarHBondContact O-N 3.39Å; T917-L935 HydrophobicContact CG2-CD1 4.21Å; T917-L935 HydrophobicContact CG2-CD2 4.16Å; T917-T951 HydrophobicContact CG2-CG2 4.05Å
918	A	90.8	Very high	87.1	Confident	33 Å²	33	45.4 Å²	45.4	27%	0.273	24%	0.239	S	C	.	.	H	α-helix	trans	-65.2	-30.1	175.9	0	0	0	0	0	113.1	L914 T915 D916 R922	L914-A918 WeakPolarHBondContact O-CB 3.33Å; L914-A918 PolarHBondContact O-N 3.5Å; T915-A918 PolarHBondContact O-N 2.87Å; D916-A918 VanDerWaalsContact C-N 3.35Å; D916-A918 PolarHBondContact O-N 3.16Å; A918-R922 WeakPolarHBondContact O-CD 3.38Å; A918-R922 VanDerWaalsContact O-CG 3.3Å; A918-R922 WeakPolarHBondContact O-CG 3.5Å; A918-R922 PolarHBondContact O-N 2.81Å
919	E	88	Confident	88.7	Confident	18 Å²	18	42 Å²	42	8%	0.084	22%	0.216	C	C	.	.	H	α-helix	trans	-79.2	-31.6	175.7	-164.5	65.8	-176	0	0	112.1	L370 T915 D916 T917 R922 R923	L370-E919 HydrophobicContact CD1-CB 4.21Å; L370-E919 HydrophobicContact CD1-CG 4.15Å; T915-E919 PolarHBondContact O-N 3.2Å; T915-E919 VanDerWaalsContact O-N 3.1Å; D916-E919 PolarHBondContact O-N 3.27Å; D916-E919 VanDerWaalsContact O-N 3.09Å; T917-E919 VanDerWaalsContact C-N 3.28Å; T917-E919 PolarHBondContact O-N 3Å; E919-R922 PolarHBondContact O-N 2.99Å; E919-R922 WeakPolarHBondContact OE2-CD 3.48Å; E919-R922 IonicContact OE2-CZ 2.68Å; E919-R922 IonicContact OE2-NE 2.61Å; E919-R922 IonicContact OE2-NH1 3.16Å; E919-R922 PolarHBondContact OE2-NH1 2.98Å; E919-R923 WeakPolarHBondContact O-CB 3.34Å; E919-R923 WeakPolarHBondContact O-CD 3.18Å; E919-R923 VanDerWaalsContact O-CG 3.29Å; E919-R923 WeakPolarHBondContact O-CG 3.38Å; E919-R923 PolarHBondContact O-N 2.99Å; E919-R923 IonicContact OE1-CZ 3.68Å; E919-R923 VanDerWaalsContact OE1-CZ 3.22Å; E919-R923 IonicContact OE1-NE 3.64Å; E919-R923 PolarHBondContact OE1-NE 2.9Å; E919-R923 IonicContact OE1-NH2 2.66Å; E919-R923 PolarHBondContact OE1-NH2 3.13Å
920	I	92.6	Very high	89.9	Confident	6 Å²	6	39.5 Å²	39.5	3%	0.031	20%	0.2	C	C	.	.	H	α-helix	trans	-62.6	-48.9	168.5	-63	173.9	0	0	0	110.2	F894 R896 D916 T917 R922 R923 A924 V930 L932 F955	F894-I920 HydrophobicContact CB-CB 4.4Å; F894-I920 HydrophobicContact CB-CD1 4.18Å; F894-I920 HydrophobicContact CB-CG1 3.96Å; F894-I920 HydrophobicContact CB-CG2 3.69Å; F894-I920 HydrophobicContact CD1-CG1 4.26Å; F894-I920 HydrophobicContact CG-CG1 4.46Å; F894-I920 HydrophobicContact CG-CG2 4.13Å; R896-I920 HydrophobicContact CB-CD1 4.06Å; D916-I920 WeakPolarHBondContact O-CG1 3.41Å; D916-I920 PolarHBondContact O-N 3.07Å; T917-I920 PolarHBondContact O-N 3.07Å; I920-R922 PolarHBondContact O-N 3.46Å; I920-R923 PolarHBondContact O-N 2.85Å; I920-A924 HydrophobicContact CG2-CB 4.33Å; I920-A924 WeakPolarHBondContact O-CB 3.27Å; I920-A924 PolarHBondContact O-N 2.88Å; I920-V930 HydrophobicContact CG2-CG1 4.04Å; I920-V930 HydrophobicContact CG2-CG2 4.35Å; I920-L932 HydrophobicContact CD1-CD2 3.97Å; I920-F955 HydrophobicContact CG2-CE1 4.44Å; I920-F955 HydrophobicContact CG2-CZ 3.98Å
921	I	93.2	Very high	90.6	Very high	52 Å²	52	38 Å²	38	27%	0.267	19%	0.194	S	C	.	.	H	α-helix	trans	-54.5	-34.7	177.8	-76.4	167.9	0	0	0	112.5	T917 T951 Y954 F955	T917-I921 HydrophobicContact CG2-CD1 3.99Å; T917-I921 WeakPolarHBondContact O-CG1 3.27Å; T917-I921 PolarHBondContact O-N 3.39Å; I921-T951 HydrophobicContact CD1-CG2 4.24Å; I921-Y954 HydrophobicContact CG1-CD1 4.46Å; I921-Y954 HydrophobicContact CG1-CE1 4.49Å; I921-Y954 HydrophobicContact CG2-CD1 4.39Å; I921-Y954 HydrophobicContact CG2-CE1 3.76Å; I921-F955 HydrophobicContact CG1-CE2 3.97Å; I921-F955 HydrophobicContact CG1-CZ 3.7Å
922	R	89.8	Confident	91.2	Very high	171 Å²	171	33 Å²	33	65%	0.645	17%	0.169	S	C	*	.	H	α-helix	trans	-77.6	-18.4	178.8	-72.1	166.8	-173.5	156.8	4.1	114.9	A918 E919 I920	A918-R922 WeakPolarHBondContact O-CD 3.38Å; A918-R922 VanDerWaalsContact O-CG 3.3Å; A918-R922 WeakPolarHBondContact O-CG 3.5Å; A918-R922 PolarHBondContact O-N 2.81Å; E919-R922 PolarHBondContact O-N 2.99Å; E919-R922 WeakPolarHBondContact OE2-CD 3.48Å; E919-R922 IonicContact OE2-CZ 2.68Å; E919-R922 IonicContact OE2-NE 2.61Å; E919-R922 IonicContact OE2-NH1 3.16Å; E919-R922 PolarHBondContact OE2-NH1 2.98Å; I920-R922 PolarHBondContact O-N 3.46Å
923	R	88.1	Confident	91.8	Very high	55 Å²	55	32 Å²	32	21%	0.208	16%	0.164	C	C	.	.	H	α-helix	trans	-125.2	-26.7	-163	-69	178.1	175.5	-142.8	16.4	114.9	E371 F894 E919 I920 S925	E371-R923 IonicContact OE1-CZ 3.61Å; E371-R923 IonicContact OE1-NH1 3.33Å; E371-R923 PolarHBondContact OE1-NH1 2.9Å; E371-R923 IonicContact OE1-NH2 2.65Å; E371-R923 PolarHBondContact OE1-NH2 3.08Å; E371-R923 IonicContact OE2-NH1 3.37Å; F894-R923 HydrophobicContact CE1-CB 3.87Å; F894-R923 HydrophobicContact CZ-CB 3.86Å; E919-R923 WeakPolarHBondContact O-CB 3.34Å; E919-R923 WeakPolarHBondContact O-CD 3.18Å; E919-R923 VanDerWaalsContact O-CG 3.29Å; E919-R923 WeakPolarHBondContact O-CG 3.38Å; E919-R923 PolarHBondContact O-N 2.99Å; E919-R923 IonicContact OE1-CZ 3.68Å; E919-R923 VanDerWaalsContact OE1-CZ 3.22Å; E919-R923 IonicContact OE1-NE 3.64Å; E919-R923 PolarHBondContact OE1-NE 2.9Å; E919-R923 IonicContact OE1-NH2 2.66Å; E919-R923 PolarHBondContact OE1-NH2 3.13Å; I920-R923 PolarHBondContact O-N 2.85Å; R923-S925 PolarHBondContact O-N 2.75Å
924	A	93.6	Very high	92	Very high	14 Å²	14	33.1 Å²	33.1	12%	0.116	17%	0.17	C	C	.	.			trans	-62.1	126.1	174.4	0	0	0	0	0	109.2	F894 I920 V930 F955 V959	F894-A924 HydrophobicContact CD2-CB 4.21Å; F894-A924 HydrophobicContact CE2-CB 4.38Å; I920-A924 HydrophobicContact CG2-CB 4.33Å; I920-A924 WeakPolarHBondContact O-CB 3.27Å; I920-A924 PolarHBondContact O-N 2.88Å; A924-V930 HydrophobicContact CB-CG2 3.66Å; A924-F955 HydrophobicContact CB-CE1 4Å; A924-V959 HydrophobicContact CB-CG1 4.23Å
925	S	93.8	Very high	92	Very high	28 Å²	28	30.9 Å²	30.9	20%	0.196	16%	0.158	C	C	.	.			trans	-97.9	172.7	173.2	86.5	0	0	0	0	110.1	D891 R923 Q927 S928	D891-S925 PolarHBondContact OD1-OG 3.4Å; D891-S925 VanDerWaalsContact OD2-CB 3.27Å; D891-S925 WeakPolarHBondContact OD2-CB 3.34Å; D891-S925 PolarHBondContact OD2-OG 3.17Å; R923-S925 PolarHBondContact O-N 2.75Å; S925-Q927 PolarHBondContact O-N 2.94Å; S925-Q927 PolarHBondContact OG-N 3.17Å; S925-Q927 VanDerWaalsContact OG-N 3.07Å; S925-S928 PolarHBondContact N-OG 2.96Å; S925-S928 WeakPolarHBondContact O-CB 3.22Å; S925-S928 PolarHBondContact O-N 2.82Å; S925-S928 PolarHBondContact OG-OG 3.43Å
926	P	94.4	Very high	92	Very high	71 Å²	71	28.9 Å²	28.9	46%	0.461	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-12.9	171.5	-22	33.2	0	0	0	114.6	K813 V959	K813-P926 WeakPolarHBondContact CD-O 3.3Å; K813-P926 PolarHBondContact NZ-O 3.31Å; P926-V959 WeakPolarHBondContact CA-O 3.24Å; P926-V959 WeakPolarHBondContact CB-O 3.24Å; P926-V959 WeakPolarHBondContact CG-O 3.36Å
927	Q	93.8	Very high	91.9	Very high	75 Å²	75	31 Å²	31	35%	0.35	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-6.3	176.4	-56.1	-68.1	34.8	0	0	113.4	D891 S925	D891-Q927 HydrophobicContact CB-CB 4.35Å; S925-Q927 PolarHBondContact O-N 2.94Å; S925-Q927 PolarHBondContact OG-N 3.17Å; S925-Q927 VanDerWaalsContact OG-N 3.07Å
928	S	95.6	Very high	91.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.166	C	C	.	.			trans	-77.3	153.3	-175.8	-57.9	0	0	0	0	112.7	D891 G892 S925 S961 L962	D891-S928 WeakPolarHBondContact OD1-CA 3.44Å; D891-S928 WeakPolarHBondContact OD1-CB 3.48Å; D891-S928 PolarHBondContact OD1-N 2.75Å; D891-S928 VanDerWaalsContact OD1-N 3.11Å; D891-S928 PolarHBondContact OD1-OG 3.38Å; G892-S928 WeakPolarHBondContact O-CA 3.3Å; S925-S928 PolarHBondContact N-OG 2.96Å; S925-S928 WeakPolarHBondContact O-CB 3.22Å; S925-S928 PolarHBondContact O-N 2.82Å; S925-S928 PolarHBondContact OG-OG 3.43Å; S928-S961 WeakPolarHBondContact O-CB 3.21Å; S928-L962 PolarHBondContact O-N 2.88Å; S928-L962 VanDerWaalsContact O-N 3.11Å
929	L	96.9	Very high	91.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	116.7	164.6	176.3	60.9	0	0	0	108.9	I815 V867 A868 V890 G892 I893 F894 I931 L962	I815-L929 HydrophobicContact CD1-CD1 4.01Å; I815-L929 HydrophobicContact CD1-CD2 4.04Å; I815-L929 HydrophobicContact CD1-CG 4.48Å; V867-L929 HydrophobicContact CG1-CD2 4.5Å; A868-L929 HydrophobicContact CB-CD2 4.17Å; V890-L929 HydrophobicContact CG1-CB 3.93Å; V890-L929 HydrophobicContact CG2-CB 4.49Å; G892-L929 PolarHBondContact O-N 3.21Å; I893-L929 WeakPolarHBondContact CA-O 3.22Å; I893-L929 HydrophobicContact CD1-CD2 4.45Å; I893-L929 HydrophobicContact CG1-CB 4.25Å; I893-L929 HydrophobicContact CG1-CD2 4.43Å; I893-L929 HydrophobicContact CG2-CD2 4.44Å; F894-L929 PolarHBondContact N-O 3.28Å; L929-I931 HydrophobicContact CD2-CD1 4.39Å; L929-I931 HydrophobicContact CG-CD1 4.41Å; L929-I931 HydrophobicContact CG-CG1 4.36Å; L929-L962 CarbonylContact C-O 3.58Å; L929-L962 WeakPolarHBondContact CA-O 3.2Å; L929-L962 HydrophobicContact CD1-CB 4.25Å
930	V	96.9	Very high	91.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	130.8	-179.2	176.4	0	0	0	0	109.6	I920 A924 L932 F955 L962 T963 L964	I920-V930 HydrophobicContact CG2-CG1 4.04Å; I920-V930 HydrophobicContact CG2-CG2 4.35Å; A924-V930 HydrophobicContact CB-CG2 3.66Å; V930-L932 HydrophobicContact CG1-CD1 4.25Å; V930-L932 HydrophobicContact CG1-CD2 4.45Å; V930-L932 HydrophobicContact CG1-CG 3.98Å; V930-F955 HydrophobicContact CG1-CD1 4.31Å; V930-F955 HydrophobicContact CG1-CE1 4.06Å; V930-F955 HydrophobicContact CG1-CE2 4.35Å; V930-F955 HydrophobicContact CG1-CZ 4.09Å; V930-F955 HydrophobicContact CG2-CD1 4.25Å; V930-F955 HydrophobicContact CG2-CE1 4Å; V930-L962 PolarHBondContact N-O 3.48Å; V930-T963 HydrophobicContact CB-CG2 4.17Å; V930-T963 HydrophobicContact CG1-CG2 4.17Å; V930-T963 CarbonylContact O-C 3.54Å; V930-T963 VanDerWaalsContact O-CA 3.3Å; V930-T963 WeakPolarHBondContact O-CA 3.38Å; V930-L964 PolarHBondContact O-N 2.85Å
931	I	96.2	Very high	91.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	114.2	-178.6	-66.3	-179.2	0	0	0	108.3	I864 A868 F894 T895 R896 M897 L929 L964	I864-I931 HydrophobicContact CG2-CB 4.48Å; I864-I931 HydrophobicContact CG2-CD1 4.1Å; I864-I931 HydrophobicContact CG2-CG1 4.49Å; I864-I931 HydrophobicContact CG2-CG2 3.28Å; A868-I931 HydrophobicContact CB-CD1 3.83Å; F894-I931 PolarHBondContact O-N 2.97Å; T895-I931 CarbonylContact C-O 3.53Å; T895-I931 WeakPolarHBondContact CA-O 3.38Å; T895-I931 HydrophobicContact CG2-CB 4.1Å; T895-I931 HydrophobicContact CG2-CD1 4.24Å; T895-I931 HydrophobicContact CG2-CG2 4.39Å; R896-I931 PolarHBondContact N-O 3.37Å; M897-I931 HydrophobicContact CG-CG2 4.11Å; M897-I931 HydrophobicContact SD-CG2 3.98Å; L929-I931 HydrophobicContact CD2-CD1 4.39Å; L929-I931 HydrophobicContact CG-CD1 4.41Å; L929-I931 HydrophobicContact CG-CG1 4.36Å; I931-L964 WeakPolarHBondContact CA-O 3.32Å; I931-L964 HydrophobicContact CD1-CD1 4.18Å; I931-L964 HydrophobicContact CG1-CB 4.22Å; I931-L964 HydrophobicContact CG1-CD1 4.2Å; I931-L964 HydrophobicContact CG1-CG 4.35Å
932	L	94.3	Very high	91.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	113.5	-179.8	-61.3	177.7	0	0	0	109.7	R896 I920 V930 L935 T951 F955 L964 F965 V966	R896-L932 HydrophobicContact CB-CD2 3.69Å; I920-L932 HydrophobicContact CD1-CD2 3.97Å; V930-L932 HydrophobicContact CG1-CD1 4.25Å; V930-L932 HydrophobicContact CG1-CD2 4.45Å; V930-L932 HydrophobicContact CG1-CG 3.98Å; L932-L935 HydrophobicContact CD1-CD2 4.39Å; L932-T951 HydrophobicContact CD1-CG2 3.98Å; L932-F955 HydrophobicContact CD1-CD2 4.04Å; L932-F955 HydrophobicContact CD1-CE2 3.72Å; L932-L964 PolarHBondContact N-O 3.48Å; L932-F965 HydrophobicContact CB-CD2 3.79Å; L932-F965 HydrophobicContact CB-CE2 3.95Å; L932-F965 HydrophobicContact CD1-CD2 3.9Å; L932-F965 HydrophobicContact CD1-CE2 3.8Å; L932-F965 HydrophobicContact CG-CD2 4.41Å; L932-V966 PolarHBondContact O-N 3.15Å
933	D	91.8	Very high	91.3	Very high	9 Å²	9	37.9 Å²	37.9	5%	0.048	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	124.7	-177.7	-172.4	33.5	0	0	0	110.5	R896 M897 L935 V966	R896-D933 PolarHBondContact NH1-O 3.45Å; R896-D933 WeakPolarHBondContact O-CB 3.4Å; R896-D933 PolarHBondContact O-N 3.26Å; M897-D933 HydrophobicContact CB-CB 4.39Å; M897-D933 HydrophobicContact CG-CB 4.03Å; D933-L935 VanDerWaalsContact C-N 3.31Å; D933-L935 PolarHBondContact O-N 3.31Å; D933-V966 VanDerWaalsContact OD1-CG1 3.25Å; D933-V966 WeakPolarHBondContact OD1-CG1 3.16Å
934	E	88.5	Confident	91.5	Very high	32 Å²	32	35.2 Å²	35.2	15%	0.15	20%	0.199	C	C	.	.	S	Bend	trans	49.8	42.4	179.6	-55.6	-174.8	154.7	0	0	114.8	N856 R896 G936 R937 V966 H968	N856-E934 PolarHBondContact ND2-OE1 3.21Å; N856-E934 PolarHBondContact OD1-OE1 2.65Å; R896-E934 PolarHBondContact NH1-O 3.15Å; R896-E934 VanDerWaalsContact NH1-O 3.13Å; E934-G936 PolarHBondContact O-N 2.94Å; E934-R937 HydrophobicContact CB-CB 4.43Å; E934-R937 HydrophobicContact CB-CG 4.41Å; E934-R937 WeakPolarHBondContact O-CG 3.33Å; E934-R937 PolarHBondContact O-N 3.39Å; E934-R937 WeakPolarHBondContact OE2-CD 3.18Å; E934-R937 IonicContact OE2-NH1 3.81Å; E934-R937 PolarHBondContact OE2-NH1 3.38Å; E934-V966 PolarHBondContact N-O 3.07Å; E934-H968 IonicContact OE1-CD2 3.21Å; E934-H968 IonicContact OE1-CE1 3.12Å; E934-H968 IonicContact OE1-NE2 2.74Å; E934-H968 PolarHBondContact OE1-NE2 3.19Å
935	L	90.3	Very high	91.5	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.01	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	130.4	174.8	179.4	62.3	0	0	0	110.8	E913 L914 T917 L932 D933 T951 F965	E913-L935 HydrophobicContact CG-CD1 4.22Å; L914-L935 HydrophobicContact CD2-CD1 4.48Å; T917-L935 HydrophobicContact CG2-CD1 4.21Å; T917-L935 HydrophobicContact CG2-CD2 4.16Å; L932-L935 HydrophobicContact CD1-CD2 4.39Å; D933-L935 VanDerWaalsContact C-N 3.31Å; D933-L935 PolarHBondContact O-N 3.31Å; L935-T951 HydrophobicContact CD2-CG2 3.66Å; L935-F965 HydrophobicContact CB-CZ 4.22Å; L935-F965 HydrophobicContact CD2-CE2 4.1Å; L935-F965 HydrophobicContact CD2-CZ 4.23Å
936	G	85.3	Confident	91.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.5	-6.9	178.1	0	0	0	0	0	114.5	E913 E934 G938 T939 G944 Y969	E913-G936 PolarHBondContact OE1-N 3.37Å; E934-G936 PolarHBondContact O-N 2.94Å; G936-G938 PolarHBondContact O-N 2.65Å; G936-G938 VanDerWaalsContact O-N 3.09Å; G936-T939 WeakPolarHBondContact O-CG2 3.37Å; G936-T939 PolarHBondContact O-N 2.97Å; G936-G944 WeakPolarHBondContact O-CA 3.38Å; G936-Y969 PolarHBondContact O-OH 3.44Å
937	R	85.3	Confident	91.5	Very high	80 Å²	80	37.1 Å²	37.1	30%	0.302	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-21.6	-175.5	72.3	171.9	-171.7	-116.7	-18.1	114.8	G898 A899 E913 E934 T939	G898-R937 PolarHBondContact O-NH1 3.36Å; G898-R937 PolarHBondContact O-NH2 3.47Å; A899-R937 VanDerWaalsContact CB-NH2 3.33Å; E913-R937 IonicContact OE2-CZ 3.21Å; E913-R937 IonicContact OE2-NH2 2.93Å; E934-R937 HydrophobicContact CB-CB 4.43Å; E934-R937 HydrophobicContact CB-CG 4.41Å; E934-R937 WeakPolarHBondContact O-CG 3.33Å; E934-R937 PolarHBondContact O-N 3.39Å; E934-R937 WeakPolarHBondContact OE2-CD 3.18Å; E934-R937 IonicContact OE2-NH1 3.81Å; E934-R937 PolarHBondContact OE2-NH1 3.38Å; R937-T939 VanDerWaalsContact C-N 3.34Å; R937-T939 PolarHBondContact O-N 2.81Å
938	G	83.3	Confident	91.5	Very high	34 Å²	34	33.5 Å²	33.5	35%	0.351	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	8.8	-172.9	0	0	0	0	0	115.5	G936	G936-G938 PolarHBondContact O-N 2.65Å; G936-G938 VanDerWaalsContact O-N 3.09Å
939	T	89.3	Confident	91.6	Very high	51 Å²	51	36.7 Å²	36.7	31%	0.313	20%	0.204	S	C	.	.	S	Bend	trans	-137.9	-170.3	-176	-169.2	0	0	0	0	111.9	F910 G936 R937 D943	F910-T939 HydrophobicContact CD2-CG2 4.39Å; F910-T939 HydrophobicContact CE1-CG2 3.92Å; F910-T939 HydrophobicContact CE2-CG2 3.63Å; F910-T939 HydrophobicContact CZ-CG2 3.35Å; G936-T939 WeakPolarHBondContact O-CG2 3.37Å; G936-T939 PolarHBondContact O-N 2.97Å; R937-T939 VanDerWaalsContact C-N 3.34Å; R937-T939 PolarHBondContact O-N 2.81Å; T939-D943 HydrophobicContact CG2-CB 3.73Å
940	S	90.2	Very high	91.5	Very high	40 Å²	40	39.4 Å²	39.4	28%	0.28	23%	0.226	S	C	.	.			trans	-59.1	152.1	174.6	92.1	0	0	0	0	111.3	H942 D943 G944	S940-H942 PolarHBondContact O-N 2.97Å; S940-H942 PolarHBondContact OG-CD2 3.47Å; S940-H942 PolarHBondContact OG-CE1 3.08Å; S940-H942 PolarHBondContact OG-ND1 3.26Å; S940-H942 PolarHBondContact OG-NE2 2.6Å; S940-D943 WeakPolarHBondContact CB-OD2 3.44Å; S940-D943 PolarHBondContact O-N 3Å; S940-D943 WeakPolarHBondContact OG-CB 3.47Å; S940-D943 PolarHBondContact OG-N 2.6Å; S940-D943 VanDerWaalsContact OG-N 3.15Å; S940-D943 PolarHBondContact OG-OD2 3.37Å; S940-G944 PolarHBondContact O-N 3.3Å
941	T	88	Confident	91.5	Very high	100 Å²	100	40.2 Å²	40.2	61%	0.613	23%	0.231	S	C	*	.	H	α-helix	trans	-61.6	-31.8	-178.5	-41.3	0	0	0	0	112.8	I945 Y969	T941-I945 HydrophobicContact CG2-CD1 4Å; T941-I945 WeakPolarHBondContact O-CB 3.37Å; T941-I945 VanDerWaalsContact O-CD1 3.32Å; T941-I945 WeakPolarHBondContact O-CD1 3.42Å; T941-I945 WeakPolarHBondContact O-CG1 3.45Å; T941-I945 PolarHBondContact O-N 2.79Å; T941-I945 VanDerWaalsContact O-N 3.12Å; T941-Y969 HydrophobicContact CG2-CE1 4.45Å
942	H	89.3	Confident	91.6	Very high	135 Å²	135	40.2 Å²	40.2	63%	0.625	23%	0.231	S	C	*	.	H	α-helix	trans	-76.9	-42.5	178.8	56.2	-94	0	0	0	112.2	S940 G944 A946	S940-H942 PolarHBondContact O-N 2.97Å; S940-H942 PolarHBondContact OG-CD2 3.47Å; S940-H942 PolarHBondContact OG-CE1 3.08Å; S940-H942 PolarHBondContact OG-ND1 3.26Å; S940-H942 PolarHBondContact OG-NE2 2.6Å; H942-G944 VanDerWaalsContact C-N 3.34Å; H942-A946 VanDerWaalsContact O-CB 3.3Å; H942-A946 WeakPolarHBondContact O-CB 3.29Å; H942-A946 PolarHBondContact O-N 3.35Å
943	D	92.5	Very high	91.7	Very high	69 Å²	69	42.7 Å²	42.7	37%	0.369	24%	0.243	S	C	.	.	H	α-helix	trans	-64.4	-41.6	174.6	-60.1	-50.8	0	0	0	111.1	T939 S940 A946 I947	T939-D943 HydrophobicContact CG2-CB 3.73Å; S940-D943 WeakPolarHBondContact CB-OD2 3.44Å; S940-D943 PolarHBondContact O-N 3Å; S940-D943 WeakPolarHBondContact OG-CB 3.47Å; S940-D943 PolarHBondContact OG-N 2.6Å; S940-D943 VanDerWaalsContact OG-N 3.15Å; S940-D943 PolarHBondContact OG-OD2 3.37Å; D943-A946 PolarHBondContact O-N 2.91Å; D943-I947 WeakPolarHBondContact O-CB 3.45Å; D943-I947 WeakPolarHBondContact O-CD1 3.22Å; D943-I947 VanDerWaalsContact O-CG1 3.23Å; D943-I947 WeakPolarHBondContact O-CG1 3.29Å; D943-I947 PolarHBondContact O-N 3.39Å
944	G	91.6	Very high	92	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.9	-47	178.7	0	0	0	0	0	112.3	G936 S940 H942 A948	G936-G944 WeakPolarHBondContact O-CA 3.38Å; S940-G944 PolarHBondContact O-N 3.3Å; H942-G944 VanDerWaalsContact C-N 3.34Å; G944-A948 WeakPolarHBondContact O-CB 3.29Å; G944-A948 PolarHBondContact O-N 2.77Å
945	I	93.7	Very high	92.4	Very high	44 Å²	44	45.1 Å²	45.1	23%	0.226	25%	0.25	C	S	.	.	H	α-helix	trans	-61.9	-47.9	174.1	-69.5	166.8	0	0	0	110.8	T941 I947 A948 Y949 Y969 P971	T941-I945 HydrophobicContact CG2-CD1 4Å; T941-I945 WeakPolarHBondContact O-CB 3.37Å; T941-I945 VanDerWaalsContact O-CD1 3.32Å; T941-I945 WeakPolarHBondContact O-CD1 3.42Å; T941-I945 WeakPolarHBondContact O-CG1 3.45Å; T941-I945 PolarHBondContact O-N 2.79Å; T941-I945 VanDerWaalsContact O-N 3.12Å; I945-I947 PolarHBondContact O-N 3.2Å; I945-A948 PolarHBondContact O-N 2.8Å; I945-Y949 VanDerWaalsContact O-CB 3.29Å; I945-Y949 WeakPolarHBondContact O-CB 3.38Å; I945-Y949 PolarHBondContact O-N 3.33Å; I945-Y969 HydrophobicContact CD1-CD1 4.25Å; I945-Y969 HydrophobicContact CG1-CD1 3.58Å; I945-Y969 HydrophobicContact CG1-CD2 4.03Å; I945-Y969 HydrophobicContact CG1-CE1 4.02Å; I945-Y969 HydrophobicContact CG1-CE2 4.43Å; I945-Y969 HydrophobicContact CG1-CG 3.59Å; I945-P971 HydrophobicContact CD1-CG 4.41Å; I945-P971 HydrophobicContact CG2-CB 4.04Å; I945-P971 HydrophobicContact CG2-CG 4.33Å
946	A	94.1	Very high	92.6	Very high	58 Å²	58	45.1 Å²	45.1	48%	0.479	25%	0.25	S	S	.	.	H	α-helix	trans	-62.9	-44	-177.1	0	0	0	0	0	112.3	H942 D943 A950	H942-A946 VanDerWaalsContact O-CB 3.3Å; H942-A946 WeakPolarHBondContact O-CB 3.29Å; H942-A946 PolarHBondContact O-N 3.35Å; D943-A946 PolarHBondContact O-N 2.91Å; A946-A950 WeakPolarHBondContact O-CB 3.5Å; A946-A950 PolarHBondContact O-N 3.21Å
947	I	94.9	Very high	93.1	Very high	50 Å²	50	50.1 Å²	50.1	26%	0.256	27%	0.269	S	S	.	.	H	α-helix	trans	-66.3	-44.2	176.7	-69.2	166.3	0	0	0	110.7	F910 L914 D943 I945 T951	F910-I947 HydrophobicContact CZ-CD1 3.82Å; L914-I947 HydrophobicContact CD2-CG2 4.02Å; D943-I947 WeakPolarHBondContact O-CB 3.45Å; D943-I947 WeakPolarHBondContact O-CD1 3.22Å; D943-I947 VanDerWaalsContact O-CG1 3.23Å; D943-I947 WeakPolarHBondContact O-CG1 3.29Å; D943-I947 PolarHBondContact O-N 3.39Å; I945-I947 PolarHBondContact O-N 3.2Å; I947-T951 WeakPolarHBondContact O-CB 3.29Å; I947-T951 PolarHBondContact O-N 3.34Å; I947-T951 PolarHBondContact O-OG1 3.31Å
948	A	94.8	Very high	93.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.9	-47.3	178.3	0	0	0	0	0	112.1	G944 I945 L952 F965 Y969 V972	G944-A948 WeakPolarHBondContact O-CB 3.29Å; G944-A948 PolarHBondContact O-N 2.77Å; I945-A948 PolarHBondContact O-N 2.8Å; A948-L952 WeakPolarHBondContact O-CB 3.24Å; A948-L952 PolarHBondContact O-N 3.42Å; A948-F965 HydrophobicContact CB-CE1 4.31Å; A948-F965 HydrophobicContact CB-CZ 3.95Å; A948-Y969 HydrophobicContact CB-CD2 3.91Å; A948-Y969 HydrophobicContact CB-CE2 4.18Å; A948-V972 HydrophobicContact CB-CG2 4.04Å
949	Y	95.9	Very high	94.2	Very high	67 Å²	67	49 Å²	49	26%	0.263	26%	0.262	S	S	.	.	H	α-helix	trans	-61.2	-54.8	179	-171.1	-74.5	0	0	0	111.4	I945 T951 L952 E953 L975	I945-Y949 VanDerWaalsContact O-CB 3.29Å; I945-Y949 WeakPolarHBondContact O-CB 3.38Å; I945-Y949 PolarHBondContact O-N 3.33Å; Y949-T951 VanDerWaalsContact C-N 3.31Å; Y949-T951 PolarHBondContact O-N 3.01Å; Y949-L952 PolarHBondContact O-N 3.47Å; Y949-L952 VanDerWaalsContact O-N 3.16Å; Y949-E953 PolarHBondContact O-N 3.12Å; Y949-L975 HydrophobicContact CD1-CD1 4.47Å; Y949-L975 HydrophobicContact CD2-CD1 4.11Å; Y949-L975 HydrophobicContact CD2-CG 4.25Å; Y949-L975 HydrophobicContact CE1-CD1 4.45Å; Y949-L975 HydrophobicContact CE1-CD2 3.89Å; Y949-L975 HydrophobicContact CE1-CG 4.3Å; Y949-L975 HydrophobicContact CE2-CD1 4.11Å; Y949-L975 HydrophobicContact CE2-CD2 4.14Å; Y949-L975 HydrophobicContact CE2-CG 3.74Å; Y949-L975 HydrophobicContact CG-CD1 4.29Å
950	A	96.2	Very high	94.5	Very high	57 Å²	57	51.6 Å²	51.6	47%	0.471	27%	0.269	S	S	.	.	H	α-helix	trans	-64.9	-34.7	-177.8	0	0	0	0	0	112.6	A946 Y954	A946-A950 WeakPolarHBondContact O-CB 3.5Å; A946-A950 PolarHBondContact O-N 3.21Å; A950-Y954 WeakPolarHBondContact O-CB 3.44Å; A950-Y954 PolarHBondContact O-N 3.29Å
951	T	96.8	Very high	94.7	Very high	16 Å²	16	49.7 Å²	49.7	10%	0.098	26%	0.255	C	S	.	.	H	α-helix	trans	-66.4	-42.4	174.4	-58.7	0	0	0	0	111.1	T917 I921 L932 L935 I947 Y949 Y954 F955	T917-T951 HydrophobicContact CG2-CG2 4.05Å; I921-T951 HydrophobicContact CD1-CG2 4.24Å; L932-T951 HydrophobicContact CD1-CG2 3.98Å; L935-T951 HydrophobicContact CD2-CG2 3.66Å; I947-T951 WeakPolarHBondContact O-CB 3.29Å; I947-T951 PolarHBondContact O-N 3.34Å; I947-T951 PolarHBondContact O-OG1 3.31Å; Y949-T951 VanDerWaalsContact C-N 3.31Å; Y949-T951 PolarHBondContact O-N 3.01Å; T951-Y954 PolarHBondContact O-N 3.29Å; T951-F955 HydrophobicContact CG2-CD2 3.99Å; T951-F955 HydrophobicContact CG2-CE2 3.67Å; T951-F955 WeakPolarHBondContact O-CD2 3.34Å; T951-F955 PolarHBondContact O-N 3.44Å
952	L	97.1	Very high	95.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-68.8	-43.2	179.4	-176.1	55.8	0	0	0	112	V849 I851 A948 Y949 Y954 F955 I956 T963 F965 V972 L975	V849-L952 HydrophobicContact CG1-CD1 3.64Å; I851-L952 HydrophobicContact CD1-CD2 3.7Å; I851-L952 HydrophobicContact CG1-CD2 3.87Å; A948-L952 WeakPolarHBondContact O-CB 3.24Å; A948-L952 PolarHBondContact O-N 3.42Å; Y949-L952 PolarHBondContact O-N 3.47Å; Y949-L952 VanDerWaalsContact O-N 3.16Å; L952-Y954 VanDerWaalsContact C-N 3.26Å; L952-Y954 PolarHBondContact O-N 2.74Å; L952-F955 PolarHBondContact O-N 3.03Å; L952-F955 VanDerWaalsContact O-N 3.09Å; L952-I956 HydrophobicContact CD1-CD1 4.36Å; L952-I956 HydrophobicContact CD1-CG1 4.36Å; L952-I956 HydrophobicContact CG-CD1 3.84Å; L952-I956 HydrophobicContact CG-CG1 4.36Å; L952-I956 VanDerWaalsContact O-CG1 3.3Å; L952-I956 WeakPolarHBondContact O-CG1 3.42Å; L952-I956 PolarHBondContact O-N 3.13Å; L952-T963 HydrophobicContact CD1-CG2 4.49Å; L952-F965 HydrophobicContact CB-CD2 4.15Å; L952-F965 HydrophobicContact CB-CE2 4.1Å; L952-F965 HydrophobicContact CB-CG 4.42Å; L952-F965 HydrophobicContact CB-CZ 4.33Å; L952-F965 HydrophobicContact CD1-CB 3.67Å; L952-F965 HydrophobicContact CD1-CD1 4.49Å; L952-F965 HydrophobicContact CD1-CD2 3.71Å; L952-F965 HydrophobicContact CD1-CE2 4.49Å; L952-F965 HydrophobicContact CD1-CG 3.7Å; L952-F965 HydrophobicContact CD2-CB 4.17Å; L952-F965 HydrophobicContact CD2-CD1 3.86Å; L952-F965 HydrophobicContact CD2-CD2 4.45Å; L952-F965 HydrophobicContact CD2-CE1 4.38Å; L952-F965 HydrophobicContact CD2-CG 3.89Å; L952-F965 HydrophobicContact CG-CD2 4.31Å; L952-F965 HydrophobicContact CG-CG 4.21Å; L952-V972 HydrophobicContact CD2-CG1 3.51Å; L952-L975 HydrophobicContact CB-CD1 4.06Å; L952-L975 HydrophobicContact CD2-CD1 3.84Å; L952-L975 HydrophobicContact CG-CD1 3.98Å
953	E	97.2	Very high	95.5	Very high	52 Å²	52	38.5 Å²	38.5	24%	0.243	20%	0.196	C	C	.	.	H	α-helix	trans	-54.8	-42.9	174.7	-168	-165.7	129.6	0	0	111.8	Y949 F955 I956 R957 L975 Y979	Y949-E953 PolarHBondContact O-N 3.12Å; E953-F955 PolarHBondContact O-N 2.91Å; E953-I956 PolarHBondContact O-N 2.71Å; E953-R957 PolarHBondContact O-N 3.36Å; E953-R957 IonicContact OE1-CZ 3.09Å; E953-R957 IonicContact OE1-NH1 2.74Å; E953-R957 PolarHBondContact OE1-NH1 3.23Å; E953-R957 IonicContact OE1-NH2 2.72Å; E953-R957 PolarHBondContact OE1-NH2 3.44Å; E953-L975 HydrophobicContact CB-CD2 4.33Å; E953-L975 HydrophobicContact CG-CD2 4.39Å; E953-Y979 HydrophobicContact CG-CE2 4.41Å
954	Y	97.3	Very high	95.8	Very high	92 Å²	92	35.2 Å²	35.2	36%	0.361	18%	0.179	S	C	.	.	H	α-helix	trans	-60.5	-42.2	175.6	-176.8	-99.9	0	0	0	112.7	I921 A950 T951 L952 D958 V959	I921-Y954 HydrophobicContact CG1-CD1 4.46Å; I921-Y954 HydrophobicContact CG1-CE1 4.49Å; I921-Y954 HydrophobicContact CG2-CD1 4.39Å; I921-Y954 HydrophobicContact CG2-CE1 3.76Å; A950-Y954 WeakPolarHBondContact O-CB 3.44Å; A950-Y954 PolarHBondContact O-N 3.29Å; T951-Y954 PolarHBondContact O-N 3.29Å; L952-Y954 VanDerWaalsContact C-N 3.26Å; L952-Y954 PolarHBondContact O-N 2.74Å; Y954-D958 HydrophobicContact CD2-CB 3.74Å; Y954-D958 WeakPolarHBondContact CD2-OD2 3.49Å; Y954-D958 HydrophobicContact CE2-CB 3.78Å; Y954-D958 HydrophobicContact CG-CB 4.38Å; Y954-D958 WeakPolarHBondContact O-CA 3.4Å; Y954-D958 WeakPolarHBondContact O-CB 3.5Å; Y954-D958 PolarHBondContact O-N 3.29Å; Y954-V959 HydrophobicContact CD1-CG2 3.67Å; Y954-V959 HydrophobicContact CE1-CG2 3.3Å; Y954-V959 PolarHBondContact O-N 3.36Å
955	F	96.6	Very high	96	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.179	C	C	.	.	I	π-helix	trans	-70.2	-35.6	174.9	-74.2	-67.1	0	0	0	113	I920 I921 A924 V930 L932 T951 L952 E953 V959 K960 S961 T963	I920-F955 HydrophobicContact CG2-CE1 4.44Å; I920-F955 HydrophobicContact CG2-CZ 3.98Å; I921-F955 HydrophobicContact CG1-CE2 3.97Å; I921-F955 HydrophobicContact CG1-CZ 3.7Å; A924-F955 HydrophobicContact CB-CE1 4Å; V930-F955 HydrophobicContact CG1-CD1 4.31Å; V930-F955 HydrophobicContact CG1-CE1 4.06Å; V930-F955 HydrophobicContact CG1-CE2 4.35Å; V930-F955 HydrophobicContact CG1-CZ 4.09Å; V930-F955 HydrophobicContact CG2-CD1 4.25Å; V930-F955 HydrophobicContact CG2-CE1 4Å; L932-F955 HydrophobicContact CD1-CD2 4.04Å; L932-F955 HydrophobicContact CD1-CE2 3.72Å; T951-F955 HydrophobicContact CG2-CD2 3.99Å; T951-F955 HydrophobicContact CG2-CE2 3.67Å; T951-F955 WeakPolarHBondContact O-CD2 3.34Å; T951-F955 PolarHBondContact O-N 3.44Å; L952-F955 PolarHBondContact O-N 3.03Å; L952-F955 VanDerWaalsContact O-N 3.09Å; E953-F955 PolarHBondContact O-N 2.91Å; F955-V959 HydrophobicContact CD1-CB 3.89Å; F955-V959 HydrophobicContact CD1-CG1 4.19Å; F955-V959 HydrophobicContact CD1-CG2 3.73Å; F955-V959 HydrophobicContact CE1-CB 4.44Å; F955-V959 HydrophobicContact CE1-CG1 4.47Å; F955-V959 HydrophobicContact CE1-CG2 3.96Å; F955-K960 WeakPolarHBondContact O-CA 3.46Å; F955-K960 PolarHBondContact O-N 2.58Å; F955-S961 WeakPolarHBondContact CD1-OG 3.37Å; F955-T963 HydrophobicContact CB-CG2 4.3Å
956	I	96.1	Very high	96	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.01	17%	0.168	C	C	.	.	I	π-helix	trans	-64.1	-53.4	176.7	-66.1	159.6	0	0	0	111.6	R848 V849 L952 E953 L975 Y979 V983	R848-I956 PolarHBondContact NH2-O 3.08Å; V849-I956 HydrophobicContact CB-CG1 4.23Å; V849-I956 HydrophobicContact CG1-CG1 4.03Å; V849-I956 HydrophobicContact CG2-CG1 3.82Å; L952-I956 HydrophobicContact CD1-CD1 4.36Å; L952-I956 HydrophobicContact CD1-CG1 4.36Å; L952-I956 HydrophobicContact CG-CD1 3.84Å; L952-I956 HydrophobicContact CG-CG1 4.36Å; L952-I956 VanDerWaalsContact O-CG1 3.3Å; L952-I956 WeakPolarHBondContact O-CG1 3.42Å; L952-I956 PolarHBondContact O-N 3.13Å; E953-I956 PolarHBondContact O-N 2.71Å; I956-L975 HydrophobicContact CD1-CB 4.13Å; I956-L975 HydrophobicContact CD1-CD1 4.14Å; I956-L975 HydrophobicContact CD1-CD2 4.3Å; I956-L975 HydrophobicContact CD1-CG 4.43Å; I956-Y979 HydrophobicContact CD1-CD2 4.19Å; I956-Y979 HydrophobicContact CG2-CD1 3.99Å; I956-Y979 HydrophobicContact CG2-CD2 3.73Å; I956-Y979 HydrophobicContact CG2-CE1 4.45Å; I956-Y979 HydrophobicContact CG2-CE2 4.2Å; I956-Y979 HydrophobicContact CG2-CG 3.61Å; I956-V983 HydrophobicContact CD1-CG2 3.54Å; I956-V983 HydrophobicContact CG1-CG2 3.69Å; I956-V983 HydrophobicContact CG2-CG2 3.97Å
957	R	94.8	Very high	95.9	Very high	105 Å²	105	30.5 Å²	30.5	40%	0.396	15%	0.146	S	C	.	.	I	π-helix	trans	-93.3	-45.8	-169.3	-174.9	-172.9	63	-128.7	-18.9	113.5	E953 K960	E953-R957 PolarHBondContact O-N 3.36Å; E953-R957 IonicContact OE1-CZ 3.09Å; E953-R957 IonicContact OE1-NH1 2.74Å; E953-R957 PolarHBondContact OE1-NH1 3.23Å; E953-R957 IonicContact OE1-NH2 2.72Å; E953-R957 PolarHBondContact OE1-NH2 3.44Å; R957-K960 WeakPolarHBondContact O-CE 3.37Å; R957-K960 VanDerWaalsContact O-CG 3.3Å; R957-K960 WeakPolarHBondContact O-CG 3.5Å
958	D	95.8	Very high	95.5	Very high	80 Å²	80	32.7 Å²	32.7	43%	0.428	16%	0.155	S	C	.	.	I	π-helix	trans	-97.3	-45.9	-163	-57.4	-35.8	0	0	0	111.5	Y954	Y954-D958 HydrophobicContact CD2-CB 3.74Å; Y954-D958 WeakPolarHBondContact CD2-OD2 3.49Å; Y954-D958 HydrophobicContact CE2-CB 3.78Å; Y954-D958 HydrophobicContact CG-CB 4.38Å; Y954-D958 WeakPolarHBondContact O-CA 3.4Å; Y954-D958 WeakPolarHBondContact O-CB 3.5Å; Y954-D958 PolarHBondContact O-N 3.29Å
959	V	95.6	Very high	95.3	Very high	11 Å²	11	34.4 Å²	34.4	7%	0.067	16%	0.162	C	C	.	.	I	π-helix	trans	-81.5	-41.5	174.3	-170.2	0	0	0	0	111.9	A924 P926 Y954 F955 S961	A924-V959 HydrophobicContact CB-CG1 4.23Å; P926-V959 WeakPolarHBondContact CA-O 3.24Å; P926-V959 WeakPolarHBondContact CB-O 3.24Å; P926-V959 WeakPolarHBondContact CG-O 3.36Å; Y954-V959 HydrophobicContact CD1-CG2 3.67Å; Y954-V959 HydrophobicContact CE1-CG2 3.3Å; Y954-V959 PolarHBondContact O-N 3.36Å; F955-V959 HydrophobicContact CD1-CB 3.89Å; F955-V959 HydrophobicContact CD1-CG1 4.19Å; F955-V959 HydrophobicContact CD1-CG2 3.73Å; F955-V959 HydrophobicContact CE1-CB 4.44Å; F955-V959 HydrophobicContact CE1-CG1 4.47Å; F955-V959 HydrophobicContact CE1-CG2 3.96Å; V959-S961 PolarHBondContact O-N 3.23Å
960	K	95.6	Very high	94.9	Very high	105 Å²	105	35.1 Å²	35.1	46%	0.457	18%	0.175	S	C	.	.			trans	58.9	26.5	-176	-48.8	-179.4	-176.2	179.9	0	114	K813 F955 R957	K813-K960 PolarHBondContact NZ-O 3.2Å; F955-K960 WeakPolarHBondContact O-CA 3.46Å; F955-K960 PolarHBondContact O-N 2.58Å; R957-K960 WeakPolarHBondContact O-CE 3.37Å; R957-K960 VanDerWaalsContact O-CG 3.3Å; R957-K960 WeakPolarHBondContact O-CG 3.5Å
961	S	95.7	Very high	94.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.161	C	C	.	.			trans	-66	159.8	175.1	47.9	0	0	0	0	112.6	S928 F955 V959 T963	S928-S961 WeakPolarHBondContact O-CB 3.21Å; F955-S961 WeakPolarHBondContact CD1-OG 3.37Å; V959-S961 PolarHBondContact O-N 3.23Å; S961-T963 PolarHBondContact O-N 3.44Å; S961-T963 PolarHBondContact O-OG1 3.5Å; S961-T963 PolarHBondContact OG-OG1 3.13Å; S961-T963 VanDerWaalsContact OG-OG1 3.04Å
962	L	96.9	Very high	94.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	124.3	165.4	-57.6	-172.6	0	0	0	107.8	K813 I815 L842 R848 S928 L929 V930	K813-L962 HydrophobicContact CB-CD1 4.24Å; K813-L962 HydrophobicContact CB-CG 4.38Å; K813-L962 HydrophobicContact CD-CD2 4.42Å; I815-L962 HydrophobicContact CD1-CD1 3.86Å; I815-L962 HydrophobicContact CG1-CD1 3.8Å; L842-L962 HydrophobicContact CB-CD2 4.33Å; L842-L962 HydrophobicContact CD1-CB 4.47Å; R848-L962 HydrophobicContact CB-CD2 4.22Å; R848-L962 HydrophobicContact CG-CD2 4.19Å; R848-L962 CarbonylContact O-C 3.53Å; R848-L962 WeakPolarHBondContact O-CA 3.46Å; S928-L962 PolarHBondContact O-N 2.88Å; S928-L962 VanDerWaalsContact O-N 3.11Å; L929-L962 CarbonylContact C-O 3.58Å; L929-L962 WeakPolarHBondContact CA-O 3.2Å; L929-L962 HydrophobicContact CD1-CB 4.25Å; V930-L962 PolarHBondContact N-O 3.48Å
963	T	97.3	Very high	94.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	123.6	-163.7	-48	0	0	0	0	112.3	R848 V849 M850 V930 L952 F955 S961	R848-T963 PolarHBondContact O-N 2.76Å; V849-T963 WeakPolarHBondContact CA-O 3.37Å; M850-T963 PolarHBondContact N-O 2.88Å; V930-T963 HydrophobicContact CB-CG2 4.17Å; V930-T963 HydrophobicContact CG1-CG2 4.17Å; V930-T963 CarbonylContact O-C 3.54Å; V930-T963 VanDerWaalsContact O-CA 3.3Å; V930-T963 WeakPolarHBondContact O-CA 3.38Å; L952-T963 HydrophobicContact CD1-CG2 4.49Å; F955-T963 HydrophobicContact CB-CG2 4.3Å; S961-T963 PolarHBondContact O-N 3.44Å; S961-T963 PolarHBondContact O-OG1 3.5Å; S961-T963 PolarHBondContact OG-OG1 3.13Å; S961-T963 VanDerWaalsContact OG-OG1 3.04Å
964	L	96.9	Very high	93.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	116	165.5	-53.4	-177.7	0	0	0	108.3	L842 M850 I864 V867 V930 I931 L932	L842-L964 HydrophobicContact CD1-CD2 4.02Å; M850-L964 HydrophobicContact CB-CD2 3.81Å; M850-L964 HydrophobicContact CG-CD2 4.4Å; M850-L964 HydrophobicContact SD-CD2 4.12Å; I864-L964 HydrophobicContact CG2-CD1 4.34Å; V867-L964 HydrophobicContact CB-CD1 3.99Å; V867-L964 HydrophobicContact CG1-CD1 4.17Å; V867-L964 HydrophobicContact CG2-CD1 4.17Å; V930-L964 PolarHBondContact O-N 2.85Å; I931-L964 WeakPolarHBondContact CA-O 3.32Å; I931-L964 HydrophobicContact CD1-CD1 4.18Å; I931-L964 HydrophobicContact CG1-CB 4.22Å; I931-L964 HydrophobicContact CG1-CD1 4.2Å; I931-L964 HydrophobicContact CG1-CG 4.35Å; L932-L964 PolarHBondContact N-O 3.48Å
965	F	96.3	Very high	93.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	116.1	-179.1	-164.5	-85.3	0	0	0	110.3	M850 I851 I852 L932 L935 A948 L952 T967 V972	M850-F965 PolarHBondContact O-N 3.23Å; I851-F965 CarbonylContact C-O 3.57Å; I851-F965 WeakPolarHBondContact CA-O 3.3Å; I852-F965 PolarHBondContact N-O 2.89Å; L932-F965 HydrophobicContact CB-CD2 3.79Å; L932-F965 HydrophobicContact CB-CE2 3.95Å; L932-F965 HydrophobicContact CD1-CD2 3.9Å; L932-F965 HydrophobicContact CD1-CE2 3.8Å; L932-F965 HydrophobicContact CG-CD2 4.41Å; L935-F965 HydrophobicContact CB-CZ 4.22Å; L935-F965 HydrophobicContact CD2-CE2 4.1Å; L935-F965 HydrophobicContact CD2-CZ 4.23Å; A948-F965 HydrophobicContact CB-CE1 4.31Å; A948-F965 HydrophobicContact CB-CZ 3.95Å; L952-F965 HydrophobicContact CB-CD2 4.15Å; L952-F965 HydrophobicContact CB-CE2 4.1Å; L952-F965 HydrophobicContact CB-CG 4.42Å; L952-F965 HydrophobicContact CB-CZ 4.33Å; L952-F965 HydrophobicContact CD1-CB 3.67Å; L952-F965 HydrophobicContact CD1-CD1 4.49Å; L952-F965 HydrophobicContact CD1-CD2 3.71Å; L952-F965 HydrophobicContact CD1-CE2 4.49Å; L952-F965 HydrophobicContact CD1-CG 3.7Å; L952-F965 HydrophobicContact CD2-CB 4.17Å; L952-F965 HydrophobicContact CD2-CD1 3.86Å; L952-F965 HydrophobicContact CD2-CD2 4.45Å; L952-F965 HydrophobicContact CD2-CE1 4.38Å; L952-F965 HydrophobicContact CD2-CG 3.89Å; L952-F965 HydrophobicContact CG-CD2 4.31Å; L952-F965 HydrophobicContact CG-CG 4.21Å; F965-T967 HydrophobicContact CD1-CG2 4.29Å; F965-T967 HydrophobicContact CE1-CG2 4.46Å; F965-V972 HydrophobicContact CD1-CG1 4.21Å; F965-V972 HydrophobicContact CE1-CG1 3.93Å
966	V	94	Very high	93.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	119.2	-167.9	179	0	0	0	0	109.5	I852 K860 I864 L932 D933 E934	I852-V966 HydrophobicContact CB-CG2 3.8Å; I852-V966 HydrophobicContact CD1-CG2 3.94Å; I852-V966 HydrophobicContact CG1-CG2 4.16Å; I852-V966 WeakPolarHBondContact O-CA 3.33Å; K860-V966 HydrophobicContact CD-CG1 3.76Å; I864-V966 HydrophobicContact CD1-CB 4.13Å; I864-V966 HydrophobicContact CD1-CG1 4.07Å; I864-V966 HydrophobicContact CD1-CG2 3.33Å; I864-V966 HydrophobicContact CG1-CG2 3.84Å; L932-V966 PolarHBondContact O-N 3.15Å; D933-V966 VanDerWaalsContact OD1-CG1 3.25Å; D933-V966 WeakPolarHBondContact OD1-CG1 3.16Å; E934-V966 PolarHBondContact N-O 3.07Å
967	T	91.6	Very high	93.4	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.018	18%	0.18	C	C	.	.			trans	-144.7	149.3	-161.6	-174.6	0	0	0	0	113.4	I851 I852 T853 F965 Y969 V972	I851-T967 HydrophobicContact CG2-CG2 3.81Å; I852-T967 PolarHBondContact O-N 2.73Å; T853-T967 HydrophobicContact CG2-CG2 4.3Å; F965-T967 HydrophobicContact CD1-CG2 4.29Å; F965-T967 HydrophobicContact CE1-CG2 4.46Å; T967-Y969 WeakPolarHBondContact OG1-CB 3.43Å; T967-Y969 PolarHBondContact OG1-N 3.28Å; T967-Y969 VanDerWaalsContact OG1-N 3.07Å; T967-V972 HydrophobicContact CG2-CB 4.37Å; T967-V972 HydrophobicContact CG2-CG1 4.4Å
968	H	87.9	Confident	93.3	Very high	96 Å²	96	36.1 Å²	36.1	44%	0.444	18%	0.184	S	C	.	.	S	Bend	trans	-106	13	170.1	-57.4	-75.6	0	0	0	112.1	N856 E934 P970	N856-H968 PolarHBondContact OD1-CE1 2.69Å; N856-H968 PolarHBondContact OD1-NE2 2.82Å; E934-H968 IonicContact OE1-CD2 3.21Å; E934-H968 IonicContact OE1-CE1 3.12Å; E934-H968 IonicContact OE1-NE2 2.74Å; E934-H968 PolarHBondContact OE1-NE2 3.19Å; H968-P970 WeakPolarHBondContact O-CD 3.47Å
969	Y	90.1	Very high	93.2	Very high	36 Å²	36	34.8 Å²	34.8	14%	0.141	17%	0.174	C	C	.	.			trans	-107.4	103.1	-175.7	-61.5	-40.7	0	0	0	111.8	G936 T941 I945 A948 T967 P971 V972	G936-Y969 PolarHBondContact O-OH 3.44Å; T941-Y969 HydrophobicContact CG2-CE1 4.45Å; I945-Y969 HydrophobicContact CD1-CD1 4.25Å; I945-Y969 HydrophobicContact CG1-CD1 3.58Å; I945-Y969 HydrophobicContact CG1-CD2 4.03Å; I945-Y969 HydrophobicContact CG1-CE1 4.02Å; I945-Y969 HydrophobicContact CG1-CE2 4.43Å; I945-Y969 HydrophobicContact CG1-CG 3.59Å; A948-Y969 HydrophobicContact CB-CD2 3.91Å; A948-Y969 HydrophobicContact CB-CE2 4.18Å; T967-Y969 WeakPolarHBondContact OG1-CB 3.43Å; T967-Y969 PolarHBondContact OG1-N 3.28Å; T967-Y969 VanDerWaalsContact OG1-N 3.07Å; Y969-P971 VanDerWaalsContact C-CD 3.43Å; Y969-P971 VanDerWaalsContact C-N 3.34Å; Y969-V972 HydrophobicContact CD2-CG2 4.46Å; Y969-V972 WeakPolarHBondContact O-CB 3.49Å; Y969-V972 PolarHBondContact O-N 2.89Å
970	P	87.8	Confident	93	Very high	82 Å²	82	38.3 Å²	38.3	53%	0.532	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-54.1	-36.4	178.7	-25.8	34.1	0	0	0	115.5	H968 V972 C973	H968-P970 WeakPolarHBondContact O-CD 3.47Å; P970-V972 PolarHBondContact O-N 2.91Å; P970-V972 VanDerWaalsContact O-N 3.11Å; P970-C973 VanDerWaalsContact O-CB 3.3Å; P970-C973 WeakPolarHBondContact O-CB 3.44Å; P970-C973 PolarHBondContact O-N 2.89Å
971	P	90.1	Very high	92.8	Very high	27 Å²	27	40.1 Å²	40.1	18%	0.175	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-61.7	-19.8	177	-27.1	37.4	0	0	0	115	I945 Y969 C973 E974	I945-P971 HydrophobicContact CD1-CG 4.41Å; I945-P971 HydrophobicContact CG2-CB 4.04Å; I945-P971 HydrophobicContact CG2-CG 4.33Å; Y969-P971 VanDerWaalsContact C-CD 3.43Å; Y969-P971 VanDerWaalsContact C-N 3.34Å; P971-C973 VanDerWaalsContact C-N 3.33Å; P971-E974 WeakPolarHBondContact CA-OE1 3.46Å; P971-E974 WeakPolarHBondContact O-CB 3.26Å; P971-E974 PolarHBondContact O-N 2.86Å
972	V	93.4	Very high	92.7	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-74.7	-26.6	176.5	-178.5	0	0	0	0	111.1	A948 L952 F965 T967 Y969 P970 E974 L975	A948-V972 HydrophobicContact CB-CG2 4.04Å; L952-V972 HydrophobicContact CD2-CG1 3.51Å; F965-V972 HydrophobicContact CD1-CG1 4.21Å; F965-V972 HydrophobicContact CE1-CG1 3.93Å; T967-V972 HydrophobicContact CG2-CB 4.37Å; T967-V972 HydrophobicContact CG2-CG1 4.4Å; Y969-V972 HydrophobicContact CD2-CG2 4.46Å; Y969-V972 WeakPolarHBondContact O-CB 3.49Å; Y969-V972 PolarHBondContact O-N 2.89Å; P970-V972 PolarHBondContact O-N 2.91Å; P970-V972 VanDerWaalsContact O-N 3.11Å; V972-E974 PolarHBondContact O-N 3.15Å; V972-L975 HydrophobicContact CG1-CD1 4.41Å; V972-L975 PolarHBondContact O-N 3.15Å
973	C	92.5	Very high	92.7	Very high	4 Å²	4	42 Å²	42	3%	0.027	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-67.9	-19.5	175.8	-64.3	0	0	0	0	113.3	T853 P970 P971 L975 E976 N985 I1021	T853-C973 VanDerWaalsContact CG2-SG 3.53Å; P970-C973 VanDerWaalsContact O-CB 3.3Å; P970-C973 WeakPolarHBondContact O-CB 3.44Å; P970-C973 PolarHBondContact O-N 2.89Å; P971-C973 VanDerWaalsContact C-N 3.33Å; C973-L975 PolarHBondContact O-N 2.75Å; C973-E976 PolarHBondContact O-N 3.5Å; C973-N985 WeakPolarHBondContact CA-OD1 3.44Å; C973-N985 VanDerWaalsContact CB-OD1 3.23Å; C973-N985 WeakPolarHBondContact CB-OD1 3.24Å; C973-N985 PolarHBondContact O-ND2 3.43Å; C973-N985 PolarHBondContact SG-OD1 3.46Å; C973-I1021 HydrophobicContact CB-CD1 3.65Å; C973-I1021 HydrophobicContact CB-CG1 4.04Å
974	E	89.8	Confident	92.6	Very high	66 Å²	66	42 Å²	42	31%	0.308	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-63.3	-22.2	178.9	-63.7	170.4	-159.1	0	0	112.4	P971 V972 E976 K977 R1059	P971-E974 WeakPolarHBondContact CA-OE1 3.46Å; P971-E974 WeakPolarHBondContact O-CB 3.26Å; P971-E974 PolarHBondContact O-N 2.86Å; V972-E974 PolarHBondContact O-N 3.15Å; E974-E976 PolarHBondContact O-N 3.01Å; E974-K977 WeakPolarHBondContact O-CB 3.38Å; E974-K977 PolarHBondContact O-N 3.22Å; E974-R1059 IonicContact OE1-CZ 3.09Å; E974-R1059 IonicContact OE1-NH1 2.7Å; E974-R1059 PolarHBondContact OE1-NH1 2.84Å; E974-R1059 IonicContact OE2-CZ 2.89Å; E974-R1059 IonicContact OE2-NH1 2.65Å; E974-R1059 PolarHBondContact OE2-NH1 3.49Å; E974-R1059 IonicContact OE2-NH2 2.69Å; E974-R1059 PolarHBondContact OE2-NH2 2.9Å
975	L	94	Very high	92.6	Very high	1 Å²	1	42 Å²	42	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-60.5	-21.6	175.2	-76.3	163	0	0	0	113.9	I851 Y949 L952 E953 I956 V972 C973 K977 C978 Y979	I851-L975 HydrophobicContact CD1-CB 4.46Å; Y949-L975 HydrophobicContact CD1-CD1 4.47Å; Y949-L975 HydrophobicContact CD2-CD1 4.11Å; Y949-L975 HydrophobicContact CD2-CG 4.25Å; Y949-L975 HydrophobicContact CE1-CD1 4.45Å; Y949-L975 HydrophobicContact CE1-CD2 3.89Å; Y949-L975 HydrophobicContact CE1-CG 4.3Å; Y949-L975 HydrophobicContact CE2-CD1 4.11Å; Y949-L975 HydrophobicContact CE2-CD2 4.14Å; Y949-L975 HydrophobicContact CE2-CG 3.74Å; Y949-L975 HydrophobicContact CG-CD1 4.29Å; L952-L975 HydrophobicContact CB-CD1 4.06Å; L952-L975 HydrophobicContact CD2-CD1 3.84Å; L952-L975 HydrophobicContact CG-CD1 3.98Å; E953-L975 HydrophobicContact CB-CD2 4.33Å; E953-L975 HydrophobicContact CG-CD2 4.39Å; I956-L975 HydrophobicContact CD1-CB 4.13Å; I956-L975 HydrophobicContact CD1-CD1 4.14Å; I956-L975 HydrophobicContact CD1-CD2 4.3Å; I956-L975 HydrophobicContact CD1-CG 4.43Å; V972-L975 HydrophobicContact CG1-CD1 4.41Å; V972-L975 PolarHBondContact O-N 3.15Å; C973-L975 PolarHBondContact O-N 2.75Å; L975-K977 VanDerWaalsContact C-N 3.29Å; L975-K977 PolarHBondContact O-N 2.93Å; L975-C978 PolarHBondContact O-N 3.02Å; L975-Y979 HydrophobicContact CD2-CD2 4.14Å; L975-Y979 HydrophobicContact CD2-CE2 4Å; L975-Y979 PolarHBondContact O-N 3.37Å
976	E	95.1	Very high	92.5	Very high	46 Å²	46	43.7 Å²	43.7	22%	0.215	22%	0.222	C	C	.	.	H	α-helix	trans	-62.9	-35.1	170.2	-176.8	176.6	-130.7	0	0	111.5	C973 E974 C978 Y979 P980 V983 G984 N985 R1019	C973-E976 PolarHBondContact O-N 3.5Å; E974-E976 PolarHBondContact O-N 3.01Å; E976-C978 VanDerWaalsContact C-N 3.33Å; E976-C978 PolarHBondContact O-N 3.15Å; E976-Y979 CarbonylContact O-C 3.5Å; E976-Y979 PolarHBondContact O-N 3.39Å; E976-P980 WeakPolarHBondContact O-CA 3.45Å; E976-P980 WeakPolarHBondContact O-CB 3.13Å; E976-V983 HydrophobicContact CB-CG1 4.11Å; E976-G984 WeakPolarHBondContact OE1-CA 3.38Å; E976-N985 VanDerWaalsContact CB-ND2 3.27Å; E976-N985 WeakPolarHBondContact CB-ND2 3.46Å; E976-N985 PolarHBondContact OE1-N 3.38Å; E976-N985 WeakPolarHBondContact OE2-CB 3.41Å; E976-N985 PolarHBondContact OE2-ND2 3.29Å; E976-R1019 IonicContact OE1-NH2 2.76Å
977	K	90.6	Very high	92.3	Very high	128 Å²	128	45.1 Å²	45.1	56%	0.557	23%	0.229	S	C	*	.	H	α-helix	trans	-69.9	-30.7	175.6	-59	-164.3	-177.7	-166.5	0	112.5	E974 L975	E974-K977 WeakPolarHBondContact O-CB 3.38Å; E974-K977 PolarHBondContact O-N 3.22Å; L975-K977 VanDerWaalsContact C-N 3.29Å; L975-K977 PolarHBondContact O-N 2.93Å
978	C	91.4	Very high	92.1	Very high	73 Å²	73	45.1 Å²	45.1	49%	0.493	23%	0.229	S	C	.	.	H	α-helix	trans	-78.5	-28.7	177.7	-59	0	0	0	0	112.9	L975 E976	L975-C978 PolarHBondContact O-N 3.02Å; E976-C978 VanDerWaalsContact C-N 3.33Å; E976-C978 PolarHBondContact O-N 3.15Å
979	Y	94.3	Very high	91.6	Very high	53 Å²	53	40.8 Å²	40.8	21%	0.208	21%	0.21	C	C	.	.	S	Bend	trans	-137.3	54	-170.4	-62.1	-67.3	0	0	0	112.8	E953 I956 L975 E976 E981 Q982 V983	E953-Y979 HydrophobicContact CG-CE2 4.41Å; I956-Y979 HydrophobicContact CD1-CD2 4.19Å; I956-Y979 HydrophobicContact CG2-CD1 3.99Å; I956-Y979 HydrophobicContact CG2-CD2 3.73Å; I956-Y979 HydrophobicContact CG2-CE1 4.45Å; I956-Y979 HydrophobicContact CG2-CE2 4.2Å; I956-Y979 HydrophobicContact CG2-CG 3.61Å; L975-Y979 HydrophobicContact CD2-CD2 4.14Å; L975-Y979 HydrophobicContact CD2-CE2 4Å; L975-Y979 PolarHBondContact O-N 3.37Å; E976-Y979 CarbonylContact O-C 3.5Å; E976-Y979 PolarHBondContact O-N 3.39Å; Y979-E981 VanDerWaalsContact C-N 3.29Å; Y979-E981 PolarHBondContact O-N 3.07Å; Y979-E981 VanDerWaalsContact O-N 3.17Å; Y979-Q982 PolarHBondContact O-N 3.27Å; Y979-Q982 PolarHBondContact O-OE1 3.3Å; Y979-V983 PolarHBondContact O-N 2.85Å
980	P	91.2	Very high	90.8	Very high	85 Å²	85	40.7 Å²	40.7	55%	0.552	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-18.4	-163.9	27.8	-37.4	0	0	0	115.4	E976	E976-P980 WeakPolarHBondContact O-CA 3.45Å; E976-P980 WeakPolarHBondContact O-CB 3.13Å
981	E	92.1	Very high	89.9	Confident	142 Å²	142	41 Å²	41	66%	0.664	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-15.9	174	-45.5	171.2	147	0	0	112.3	S846 E847 Y979	S846-E981 CarbonylContact C-O 3.12Å; E847-E981 PolarHBondContact N-O 3.21Å; Y979-E981 VanDerWaalsContact C-N 3.29Å; Y979-E981 PolarHBondContact O-N 3.07Å; Y979-E981 VanDerWaalsContact O-N 3.17Å
982	Q	93.7	Very high	88.8	Confident	40 Å²	40	42.6 Å²	42.6	19%	0.187	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-17	-164.8	-49.3	100.1	19	0	0	113.6	R848 V849 Y979	R848-Q982 PolarHBondContact N-O 3.3Å; V849-Q982 PolarHBondContact N-O 2.6Å; V849-Q982 VanDerWaalsContact N-O 3.1Å; Y979-Q982 PolarHBondContact O-N 3.27Å; Y979-Q982 PolarHBondContact O-OE1 3.3Å
983	V	96.4	Very high	87	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	137.3	-179.5	178.3	0	0	0	0	109.3	V849 I851 I956 E976 Y979	V849-V983 HydrophobicContact CB-CG2 4.1Å; V849-V983 HydrophobicContact CG1-CG2 4.38Å; V849-V983 WeakPolarHBondContact O-CA 3.26Å; I851-V983 HydrophobicContact CD1-CG1 3.55Å; I851-V983 HydrophobicContact CG1-CG1 3.91Å; I956-V983 HydrophobicContact CD1-CG2 3.54Å; I956-V983 HydrophobicContact CG1-CG2 3.69Å; I956-V983 HydrophobicContact CG2-CG2 3.97Å; E976-V983 HydrophobicContact CB-CG1 4.11Å; Y979-V983 PolarHBondContact O-N 2.85Å
984	G	95.9	Very high	85.1	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	138.2	168.6	0	0	0	0	0	112.3	E847 V849 I851 E976 Y986	E847-G984 WeakPolarHBondContact OE2-CA 3.37Å; V849-G984 PolarHBondContact O-N 3.29Å; I851-G984 PolarHBondContact N-O 2.91Å; E976-G984 WeakPolarHBondContact OE1-CA 3.38Å; G984-Y986 WeakPolarHBondContact O-CD2 3.44Å
985	N	95.6	Very high	82.9	Confident	1 Å²	1	53 Å²	53	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	137.2	169.1	-80.2	-59.8	0	0	0	111.5	I851 C973 E976 R1019 G1020 I1021	I851-N985 WeakPolarHBondContact CB-OD1 3.49Å; I851-N985 WeakPolarHBondContact CG2-OD1 3.3Å; C973-N985 WeakPolarHBondContact CA-OD1 3.44Å; C973-N985 VanDerWaalsContact CB-OD1 3.23Å; C973-N985 WeakPolarHBondContact CB-OD1 3.24Å; C973-N985 PolarHBondContact O-ND2 3.43Å; C973-N985 PolarHBondContact SG-OD1 3.46Å; E976-N985 VanDerWaalsContact CB-ND2 3.27Å; E976-N985 WeakPolarHBondContact CB-ND2 3.46Å; E976-N985 PolarHBondContact OE1-N 3.38Å; E976-N985 WeakPolarHBondContact OE2-CB 3.41Å; E976-N985 PolarHBondContact OE2-ND2 3.29Å; N985-R1019 WeakPolarHBondContact O-CG 3.29Å; N985-G1020 PolarHBondContact O-N 2.85Å; N985-I1021 HydrophobicContact CB-CG1 3.79Å
986	Y	94.3	Very high	80.5	Confident	34 Å²	34	61.6 Å²	61.6	13%	0.133	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	161.5	-179.1	-70.8	-99.8	0	0	0	111.5	E847 M850 I851 I852 T853 G984 I1017 T1018 R1019 G1020	E847-Y986 WeakPolarHBondContact OE2-CE2 3.49Å; E847-Y986 PolarHBondContact OE2-OH 3.14Å; M850-Y986 HydrophobicContact CE-CD2 4.24Å; M850-Y986 HydrophobicContact CE-CE1 4.3Å; M850-Y986 HydrophobicContact CE-CE2 3.94Å; M850-Y986 HydrophobicContact CG-CD2 3.53Å; M850-Y986 HydrophobicContact CG-CE2 4.02Å; M850-Y986 HydrophobicContact CG-CG 4.02Å; M850-Y986 HydrophobicContact SD-CD2 4.32Å; M850-Y986 HydrophobicContact SD-CG 4.39Å; I851-Y986 PolarHBondContact O-N 3.17Å; I852-Y986 WeakPolarHBondContact CA-O 3.22Å; T853-Y986 PolarHBondContact N-O 3.13Å; T853-Y986 PolarHBondContact OG1-O 2.69Å; G984-Y986 WeakPolarHBondContact O-CD2 3.44Å; Y986-I1017 HydrophobicContact CD1-CG1 4.06Å; Y986-T1018 CarbonylContact C-O 3.57Å; Y986-T1018 VanDerWaalsContact CA-O 3.29Å; Y986-T1018 WeakPolarHBondContact CA-O 3.42Å; Y986-T1018 WeakPolarHBondContact CD1-O 3.43Å; Y986-R1019 HydrophobicContact CD1-CB 4.16Å; Y986-R1019 HydrophobicContact CD1-CG 4.44Å; Y986-R1019 HydrophobicContact CE1-CB 3.96Å; Y986-R1019 HydrophobicContact CE1-CG 4.14Å; Y986-R1019 HydrophobicContact CE2-CG 4.46Å; Y986-G1020 CarbonylContact C-O 3.57Å; Y986-G1020 VanDerWaalsContact CA-O 3.25Å; Y986-G1020 WeakPolarHBondContact CA-O 3.48Å; Y986-G1020 PolarHBondContact N-O 3.32Å
987	H	91	Very high	77.9	Confident	30 Å²	30	64.3 Å²	64.3	14%	0.139	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	162.7	171.9	65.6	-78.3	0	0	0	111.5	T853 T1018 G1020 A1022	T853-H987 WeakPolarHBondContact O-CA 3.42Å; H987-T1018 PolarHBondContact N-O 3.06Å; H987-T1018 PolarHBondContact O-N 3.1Å; H987-G1020 PolarHBondContact N-O 2.86Å; H987-G1020 PolarHBondContact ND1-O 3.03Å; H987-A1022 HydrophobicContact CB-CB 3.72Å
988	M	86.6	Confident	75.7	Confident	3 Å²	3	63 Å²	63	2%	0.015	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	120.9	168.1	-59.6	-57.2	-62	0	0	109.4	G858 K860 Y1015 I1017	G858-M988 WeakPolarHBondContact O-CB 3.4Å; G858-M988 WeakPolarHBondContact O-CE 3.16Å; G858-M988 WeakPolarHBondContact O-CG 3.45Å; K860-M988 HydrophobicContact CB-CG 4.42Å; K860-M988 HydrophobicContact CG-CG 3.55Å; M988-Y1015 WeakPolarHBondContact CE-O 3.47Å; M988-I1017 HydrophobicContact SD-CB 4.22Å; M988-I1017 HydrophobicContact SD-CD1 3.61Å
989	G	78.5	Confident	73.1	Confident	5 Å²	5	68.2 Å²	68.2	5%	0.052	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	150.3	-178.9	0	0	0	0	0	113.3	L1014 Q1016	G989-L1014 PolarHBondContact O-N 2.86Å; G989-Q1016 PolarHBondContact N-O 2.67Å
990	F	73.4	Confident	70.4	Confident	34 Å²	34	72.5 Å²	72.5	15%	0.149	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	143.4	175.6	55.6	-86.6	0	0	0	108.6	V992 V1011 T1012 F1013 A1023 Y1026	F990-V992 HydrophobicContact CD2-CG2 3.75Å; F990-V992 HydrophobicContact CE2-CG2 3.62Å; F990-V1011 HydrophobicContact CB-CG1 4.06Å; F990-V1011 HydrophobicContact CD2-CG1 3.83Å; F990-V1011 HydrophobicContact CG-CG1 4.25Å; F990-T1012 CarbonylContact C-O 3.49Å; F990-T1012 VanDerWaalsContact CA-O 3.28Å; F990-T1012 WeakPolarHBondContact CA-O 3.41Å; F990-T1012 WeakPolarHBondContact CB-O 3.42Å; F990-F1013 HydrophobicContact CB-CD1 4.49Å; F990-A1023 HydrophobicContact CZ-CB 4.33Å; F990-Y1026 AromaticContact CD1-CD2 3.94Å; F990-Y1026 HydrophobicContact CD1-CD2 3.94Å; F990-Y1026 HydrophobicContact CD1-CE2 4.21Å; F990-Y1026 AromaticContact CE1-CD2 3.65Å; F990-Y1026 HydrophobicContact CE1-CD2 3.65Å; F990-Y1026 HydrophobicContact CE1-CE2 4.38Å; F990-Y1026 HydrophobicContact CE2-CD2 4.3Å; F990-Y1026 HydrophobicContact CG-CD2 4.39Å; F990-Y1026 HydrophobicContact CG-CE2 4.45Å; F990-Y1026 AromaticContact CZ-CD2 3.85Å; F990-Y1026 HydrophobicContact CZ-CD2 3.85Å
991	L	68.9	Low	67.7	Low	90 Å²	90	73.3 Å²	73.3	47%	0.471	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	144	167.9	-71.6	175.9	0	0	0	109.9	V1011 T1012 L1014	L991-V1011 WeakPolarHBondContact O-CA 3.48Å; L991-T1012 PolarHBondContact N-O 3.44Å; L991-T1012 PolarHBondContact O-N 3.16Å; L991-L1014 HydrophobicContact CD1-CD2 3.9Å; L991-L1014 HydrophobicContact CD2-CD1 4.31Å; L991-L1014 HydrophobicContact CG-CD1 4.01Å; L991-L1014 HydrophobicContact CG-CD2 3.86Å; L991-L1014 HydrophobicContact CG-CG 4.03Å
992	V	65.1	Low	65.1	Low	60 Å²	60	69.4 Å²	69.4	36%	0.364	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	112.3	174.2	177.2	0	0	0	0	106	F990 E994 P1008 V1011	F990-V992 HydrophobicContact CD2-CG2 3.75Å; F990-V992 HydrophobicContact CE2-CG2 3.62Å; V992-E994 HydrophobicContact CG1-CG 4.48Å; V992-P1008 HydrophobicContact CG1-CB 3.25Å; V992-P1008 HydrophobicContact CG1-CG 3.34Å; V992-V1011 HydrophobicContact CG2-CG2 4.4Å
993	N	57.5	Low	62.3	Low	62 Å²	62	76 Å²	76	33%	0.332	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	112.9	178.3	-53.9	-34.9	0	0	0	108.6	D1009 S1010 T1012	N993-D1009 PolarHBondContact O-N 3.13Å; N993-S1010 WeakPolarHBondContact CB-OG 3.33Å; N993-S1010 PolarHBondContact N-O 3.45Å; N993-S1010 PolarHBondContact ND2-OG 2.66Å; N993-S1010 PolarHBondContact O-N 3.09Å; N993-T1012 PolarHBondContact ND2-OG1 2.91Å
994	E	51.6	Low	59.5	Low	138 Å²	138	83 Å²	83	65%	0.645	45%	0.448	S	S	*	.			trans	-95.8	123.1	166.7	-67.6	-178	179.7	0	0	108.5	V992 E996 P1008	V992-E994 HydrophobicContact CG1-CG 4.48Å; E994-E996 PolarHBondContact O-N 3.3Å; E994-E996 VanDerWaalsContact O-N 3.07Å; E994-P1008 HydrophobicContact CG-CB 3.98Å
995	D	44.3	Very low	56.9	Low	88 Å²	88	90 Å²	90	47%	0.471	48%	0.481	S	S	.	.			trans	-71.1	100.6	175.2	-77.8	-31.4	0	0	0	109.2	S997 K998	D995-S997 PolarHBondContact O-N 3Å; D995-K998 PolarHBondContact O-N 3.34Å; D995-K998 IonicContact OD2-NZ 2.74Å; D995-K998 PolarHBondContact OD2-NZ 3.44Å
996	E	43.3	Very low	54.4	Low	181 Å²	181	95.8 Å²	95.8	85%	0.846	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-54.8	-14.7	176.7	-62.7	-172	139.5	0	0	114	E994 K998	E994-E996 PolarHBondContact O-N 3.3Å; E994-E996 VanDerWaalsContact O-N 3.07Å; E996-K998 PolarHBondContact O-N 3.07Å
997	S	40.9	Very low	52.2	Low	104 Å²	104	98.1 Å²	98.1	73%	0.727	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-70.8	-0.1	179.7	64.8	0	0	0	0	116.1	D995	D995-S997 PolarHBondContact O-N 3Å
998	K	43.2	Very low	50.4	Low	99 Å²	99	97.7 Å²	97.7	43%	0.43	52%	0.521	S	S	.	.	G	3₁₀ helix	trans	-120.5	38.3	-177.7	-53.1	-170.7	-162.6	96.6	0	114.3	D995 E996 D1000 D1009	D995-K998 PolarHBondContact O-N 3.34Å; D995-K998 IonicContact OD2-NZ 2.74Å; D995-K998 PolarHBondContact OD2-NZ 3.44Å; E996-K998 PolarHBondContact O-N 3.07Å; K998-D1000 PolarHBondContact O-N 3.48Å; K998-D1009 IonicContact NZ-OD2 2.9Å; K998-D1009 PolarHBondContact NZ-OD2 3.32Å
999	Q	37.2	Very low	48.7	Very low	184 Å²	184	100.5 Å²	100.5	86%	0.86	54%	0.536	S	S	*	.			trans	-70.2	76.3	166	-72.5	-170.4	-8.2	0	0	111.9
1000	D	38.2	Very low	47.7	Very low	143 Å²	143	102.4 Å²	102.4	77%	0.765	55%	0.549	S	S	*	.			trans	-158.6	150.4	155.5	-127.7	-31.2	0	0	0	113.1	K998	K998-D1000 PolarHBondContact O-N 3.48Å
1001	S	34.7	Very low	47.3	Very low	101 Å²	101	101.5 Å²	101.5	71%	0.706	55%	0.546	S	S	*	.	S	Bend	trans	64	83.3	176.5	65	0	0	0	0	120
1002	G	35.9	Very low	47.4	Very low	61 Å²	61	100.3 Å²	100.3	63%	0.629	54%	0.542	S	S	*	.				71.1	109.3	123.1	0	0	0	0	0	122	M1004	G1002-M1004 PolarHBondContact O-N 3.08Å
1003	D	36.7	Very low	47.7	Very low	178 Å²	178	99 Å²	99	95%	0.952	53%	0.532	S	S	*	.	S	Bend	trans	46	39	139.9	-59.6	-2.6	0	0	0	119.5
1004	M	37.5	Very low	48.5	Very low	147 Å²	147	98.7 Å²	98.7	72%	0.724	53%	0.53	S	S	*	.	S	Bend	trans	-128.9	135.7	162.6	-75.1	-97.2	-79.4	0	0	108.9	G1002 Q1006	G1002-M1004 PolarHBondContact O-N 3.08Å; M1004-Q1006 PolarHBondContact O-N 3.06Å
1005	E	40.9	Very low	49.8	Very low	146 Å²	146	95.4 Å²	95.4	68%	0.682	51%	0.512	S	S	*	.			trans	-58	94.1	172.7	-69.7	176.2	147.1	0	0	109.1	M1007 K1049	E1005-M1007 HydrophobicContact CB-CE 4.2Å; E1005-M1007 PolarHBondContact O-N 3.06Å; E1005-M1007 VanDerWaalsContact O-N 3.16Å; E1005-K1049 IonicContact OE1-NZ 2.81Å; E1005-K1049 PolarHBondContact OE1-NZ 3.35Å; E1005-K1049 IonicContact OE2-NZ 2.82Å; E1005-K1049 PolarHBondContact OE2-NZ 3.18Å
1006	Q	43.8	Very low	51.8	Low	124 Å²	124	95.7 Å²	95.7	58%	0.579	51%	0.51	S	S	*	.			trans	-69.9	112.7	-174	-67.9	-161.5	12.9	0	0	110.2	M1004	M1004-Q1006 PolarHBondContact O-N 3.06Å
1007	M	47.7	Very low	54	Low	83 Å²	83	88.1 Å²	88.1	41%	0.409	48%	0.475	S	S	.	.			trans	-72.7	119.1	-179.5	-68	-71.9	103	0	0	110.6	E1005 K1032	E1005-M1007 HydrophobicContact CB-CE 4.2Å; E1005-M1007 PolarHBondContact O-N 3.06Å; E1005-M1007 VanDerWaalsContact O-N 3.16Å; M1007-K1032 PolarHBondContact O-NZ 2.8Å
1008	P	52	Low	56.3	Low	20 Å²	20	85.8 Å²	85.8	13%	0.13	46%	0.457	C	S	.	.			trans	-59.8	147.2	-164.2	24.6	-37.6	0	0	0	113.7	V992 E994 K1032	V992-P1008 HydrophobicContact CG1-CB 3.25Å; V992-P1008 HydrophobicContact CG1-CG 3.34Å; E994-P1008 HydrophobicContact CG-CB 3.98Å; P1008-K1032 PolarHBondContact O-NZ 3.34Å
1009	D	52.1	Low	58.7	Low	63 Å²	63	86.9 Å²	86.9	34%	0.337	46%	0.458	S	S	.	.	S	Bend	trans	-84	-20.9	-166.1	-93.6	-19.8	0	0	0	115.4	N993 K998 K1032 R1038	N993-D1009 PolarHBondContact O-N 3.13Å; K998-D1009 IonicContact NZ-OD2 2.9Å; K998-D1009 PolarHBondContact NZ-OD2 3.32Å; D1009-K1032 WeakPolarHBondContact OD1-CE 3.28Å; D1009-K1032 IonicContact OD1-NZ 3.31Å; D1009-K1032 PolarHBondContact OD1-NZ 3.22Å; D1009-R1038 IonicContact OD1-NH2 3.57Å
1010	S	56.8	Low	61.2	Low	45 Å²	45	79.4 Å²	79.4	32%	0.315	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	156.4	162.8	61.4	0	0	0	0	114.1	N993	N993-S1010 WeakPolarHBondContact CB-OG 3.33Å; N993-S1010 PolarHBondContact N-O 3.45Å; N993-S1010 PolarHBondContact ND2-OG 2.66Å; N993-S1010 PolarHBondContact O-N 3.09Å
1011	V	65.9	Low	63.4	Low	14 Å²	14	77 Å²	77	9%	0.085	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	129.4	176.4	169.5	0	0	0	0	109.7	F990 L991 V992 N1029	F990-V1011 HydrophobicContact CB-CG1 4.06Å; F990-V1011 HydrophobicContact CD2-CG1 3.83Å; F990-V1011 HydrophobicContact CG-CG1 4.25Å; L991-V1011 WeakPolarHBondContact O-CA 3.48Å; V992-V1011 HydrophobicContact CG2-CG2 4.4Å; V1011-N1029 HydrophobicContact CG2-CB 3.8Å
1012	T	69.9	Low	65.6	Low	65 Å²	65	73.3 Å²	73.3	40%	0.399	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	129.7	-179.6	-55.3	0	0	0	0	109.9	F990 L991 N993	F990-T1012 CarbonylContact C-O 3.49Å; F990-T1012 VanDerWaalsContact CA-O 3.28Å; F990-T1012 WeakPolarHBondContact CA-O 3.41Å; F990-T1012 WeakPolarHBondContact CB-O 3.42Å; L991-T1012 PolarHBondContact N-O 3.44Å; L991-T1012 PolarHBondContact O-N 3.16Å; N993-T1012 PolarHBondContact ND2-OG1 2.91Å
1013	F	72.7	Confident	67	Low	32 Å²	32	73.4 Å²	73.4	14%	0.14	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	124.2	175.4	-65.2	-66.2	0	0	0	111.2	P855 M857 F990 Y1015 Y1026 V1030	P855-F1013 HydrophobicContact CG-CE1 4.34Å; M857-F1013 HydrophobicContact CE-CE2 4.43Å; M857-F1013 HydrophobicContact CG-CE2 4.25Å; M857-F1013 HydrophobicContact SD-CE2 4.32Å; F990-F1013 HydrophobicContact CB-CD1 4.49Å; F1013-Y1015 HydrophobicContact CB-CD2 3.95Å; F1013-Y1015 HydrophobicContact CB-CE1 4.07Å; F1013-Y1015 HydrophobicContact CB-CE2 3.43Å; F1013-Y1015 VanDerWaalsContact CB-CE2 3.43Å; F1013-Y1015 HydrophobicContact CB-CG 4.46Å; F1013-Y1015 VanDerWaalsContact CB-CZ 3.5Å; F1013-Y1026 AromaticContact CE1-CE2 3.89Å; F1013-Y1026 HydrophobicContact CE1-CE2 3.89Å; F1013-Y1026 AromaticContact CE1-CZ 3.92Å; F1013-Y1026 WeakPolarHBondContact CE1-OH 3.33Å; F1013-Y1026 HydrophobicContact CZ-CE2 4.47Å; F1013-Y1026 WeakPolarHBondContact CZ-OH 3.25Å; F1013-V1030 HydrophobicContact CZ-CG2 4.49Å
1014	L	73.1	Confident	68.2	Low	56 Å²	56	73.8 Å²	73.8	29%	0.293	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-17.3	173.8	-69.5	178.1	0	0	0	112.8	V836 G989 L991 Q1016	V836-L1014 WeakPolarHBondContact CG2-O 3.4Å; G989-L1014 PolarHBondContact O-N 2.86Å; L991-L1014 HydrophobicContact CD1-CD2 3.9Å; L991-L1014 HydrophobicContact CD2-CD1 4.31Å; L991-L1014 HydrophobicContact CG-CD1 4.01Å; L991-L1014 HydrophobicContact CG-CD2 3.86Å; L991-L1014 HydrophobicContact CG-CG 4.03Å; L1014-Q1016 HydrophobicContact CB-CB 4.27Å; L1014-Q1016 PolarHBondContact O-N 3.25Å
1015	Y	78.9	Confident	69.2	Low	69 Å²	69	69.2 Å²	69.2	27%	0.271	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	54.6	19.4	-175	-59.7	-76	0	0	0	114.6	N838 M857 M988 F1013	N838-Y1015 PolarHBondContact ND2-O 3.17Å; M857-Y1015 WeakPolarHBondContact O-CE1 3.48Å; M988-Y1015 WeakPolarHBondContact CE-O 3.47Å; F1013-Y1015 HydrophobicContact CB-CD2 3.95Å; F1013-Y1015 HydrophobicContact CB-CE1 4.07Å; F1013-Y1015 HydrophobicContact CB-CE2 3.43Å; F1013-Y1015 VanDerWaalsContact CB-CE2 3.43Å; F1013-Y1015 HydrophobicContact CB-CG 4.46Å; F1013-Y1015 VanDerWaalsContact CB-CZ 3.5Å
1016	Q	86.3	Confident	70.6	Confident	94 Å²	94	63.6 Å²	63.6	44%	0.439	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	129	-177.3	-172.5	179.5	6.2	0	0	111	V836 N838 G989 L1014	V836-Q1016 HydrophobicContact CG1-CB 4.22Å; V836-Q1016 HydrophobicContact CG1-CG 4.47Å; N838-Q1016 WeakPolarHBondContact OD1-CA 3.47Å; G989-Q1016 PolarHBondContact N-O 2.67Å; L1014-Q1016 HydrophobicContact CB-CB 4.27Å; L1014-Q1016 PolarHBondContact O-N 3.25Å
1017	I	90.1	Very high	72	Confident	22 Å²	22	60 Å²	60	11%	0.113	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	130.6	174.8	-165.4	72.8	0	0	0	110.1	N838 I852 Y863 Y986 M988	N838-I1017 HydrophobicContact CB-CG2 4.4Å; N838-I1017 WeakPolarHBondContact OD1-CB 3.45Å; N838-I1017 WeakPolarHBondContact OD1-CG2 3.42Å; N838-I1017 PolarHBondContact OD1-N 2.93Å; I852-I1017 HydrophobicContact CG2-CD1 4.06Å; Y863-I1017 HydrophobicContact CD1-CD1 4.09Å; Y863-I1017 HydrophobicContact CD1-CG1 4.48Å; Y863-I1017 HydrophobicContact CE1-CB 4.5Å; Y863-I1017 HydrophobicContact CE1-CD1 3.92Å; Y863-I1017 HydrophobicContact CE1-CG1 3.99Å; Y863-I1017 HydrophobicContact CE2-CB 4.44Å; Y863-I1017 HydrophobicContact CE2-CG2 4.13Å; Y986-I1017 HydrophobicContact CD1-CG1 4.06Å; M988-I1017 HydrophobicContact SD-CB 4.22Å; M988-I1017 HydrophobicContact SD-CD1 3.61Å
1018	T	89.9	Confident	73.5	Confident	56 Å²	56	57.8 Å²	57.8	34%	0.344	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	143.7	-176.9	-57.5	0	0	0	0	109.3	Y986 H987	Y986-T1018 CarbonylContact C-O 3.57Å; Y986-T1018 VanDerWaalsContact CA-O 3.29Å; Y986-T1018 WeakPolarHBondContact CA-O 3.42Å; Y986-T1018 WeakPolarHBondContact CD1-O 3.43Å; H987-T1018 PolarHBondContact N-O 3.06Å; H987-T1018 PolarHBondContact O-N 3.1Å
1019	R	91.9	Very high	74.6	Confident	121 Å²	121	57.6 Å²	57.6	46%	0.457	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	150.8	177	-163.1	-175.2	-177.8	121	8.3	110.6	E847 E976 N985 Y986	E847-R1019 IonicContact OE1-CZ 3.6Å; E847-R1019 IonicContact OE1-NH1 2.82Å; E847-R1019 PolarHBondContact OE1-NH1 3.27Å; E847-R1019 IonicContact OE1-NH2 2.81Å; E847-R1019 PolarHBondContact OE1-NH2 2.82Å; E847-R1019 IonicContact OE2-CZ 3.9Å; E847-R1019 IonicContact OE2-NH1 3.3Å; E847-R1019 IonicContact OE2-NH2 3.98Å; E976-R1019 IonicContact OE1-NH2 2.76Å; N985-R1019 WeakPolarHBondContact O-CG 3.29Å; Y986-R1019 HydrophobicContact CD1-CB 4.16Å; Y986-R1019 HydrophobicContact CD1-CG 4.44Å; Y986-R1019 HydrophobicContact CE1-CB 3.96Å; Y986-R1019 HydrophobicContact CE1-CG 4.14Å; Y986-R1019 HydrophobicContact CE2-CG 4.46Å
1020	G	89.7	Confident	75.8	Confident	27 Å²	27	56.6 Å²	56.6	28%	0.278	31%	0.311	S	S	.	.	S	Bend	trans	104.1	164	-177.1	0	0	0	0	0	112	N985 Y986 H987	N985-G1020 PolarHBondContact O-N 2.85Å; Y986-G1020 CarbonylContact C-O 3.57Å; Y986-G1020 VanDerWaalsContact CA-O 3.25Å; Y986-G1020 WeakPolarHBondContact CA-O 3.48Å; Y986-G1020 PolarHBondContact N-O 3.32Å; H987-G1020 PolarHBondContact N-O 2.86Å; H987-G1020 PolarHBondContact ND1-O 3.03Å
1021	I	85.6	Confident	77	Confident	93 Å²	93	55.6 Å²	55.6	48%	0.477	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-75.8	143.4	177.2	-57.2	169.6	0	0	0	109.1	C973 N985 A1023	C973-I1021 HydrophobicContact CB-CD1 3.65Å; C973-I1021 HydrophobicContact CB-CG1 4.04Å; N985-I1021 HydrophobicContact CB-CG1 3.79Å; I1021-A1023 PolarHBondContact O-N 3.08Å
1022	A	79.4	Confident	77.7	Confident	24 Å²	24	57 Å²	57	20%	0.198	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-56.9	132.3	176.8	0	0	0	0	0	112.1	T853 H987	T853-A1022 WeakPolarHBondContact OG1-CB 3.32Å; T853-A1022 PolarHBondContact OG1-N 3.34Å; H987-A1022 HydrophobicContact CB-CB 3.72Å
1023	A	67.3	Low	78.1	Confident	63 Å²	63	58.5 Å²	58.5	52%	0.521	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-59.8	149.2	-179.5	0	0	0	0	0	113.1	F990 I1021	F990-A1023 HydrophobicContact CZ-CB 4.33Å; I1021-A1023 PolarHBondContact O-N 3.08Å
1024	R	61.8	Low	78.7	Confident	185 Å²	185	60.4 Å²	60.4	70%	0.698	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	161.9	-179	-70	-176	173.5	113.8	-2.3	112	Y1026 E1052	R1024-Y1026 PolarHBondContact O-N 3.07Å; R1024-Y1026 VanDerWaalsContact O-N 3.08Å; R1024-E1052 IonicContact CZ-OE1 2.74Å; R1024-E1052 IonicContact NE-OE1 2.7Å; R1024-E1052 PolarHBondContact NE-OE1 3.42Å; R1024-E1052 IonicContact NE-OE2 3.05Å; R1024-E1052 PolarHBondContact NE-OE2 3.41Å; R1024-E1052 VanDerWaalsContact NE-OE2 3.12Å; R1024-E1052 IonicContact NH2-OE1 3.29Å; R1024-E1052 PolarHBondContact NH2-OE1 2.83Å
1025	S	58.3	Low	79.3	Confident	52 Å²	52	64.7 Å²	64.7	36%	0.364	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	-4.3	178.7	-54.7	0	0	0	0	117.4	G1027 L1028	S1025-G1027 VanDerWaalsContact C-N 3.31Å; S1025-G1027 PolarHBondContact O-N 3.35Å; S1025-L1028 WeakPolarHBondContact O-CB 3.38Å; S1025-L1028 PolarHBondContact O-N 3.28Å
1026	Y	69.5	Low	79.8	Confident	27 Å²	27	63.8 Å²	63.8	11%	0.106	36%	0.362	C	S	.	.	H	α-helix	trans	-41.3	-50.4	-177.6	171.1	-83.1	0	0	0	114.8	P855 F990 F1013 R1024 L1028 N1029 V1030	P855-Y1026 HydrophobicContact CB-CD1 4.24Å; P855-Y1026 HydrophobicContact CB-CE1 3.41Å; P855-Y1026 VanDerWaalsContact CB-CE1 3.41Å; P855-Y1026 HydrophobicContact CB-CE2 4.19Å; P855-Y1026 WeakPolarHBondContact CB-OH 3.2Å; P855-Y1026 HydrophobicContact CG-CD1 4.46Å; P855-Y1026 HydrophobicContact CG-CD2 4.46Å; P855-Y1026 HydrophobicContact CG-CE1 3.85Å; P855-Y1026 HydrophobicContact CG-CE2 3.73Å; P855-Y1026 VanDerWaalsContact CG-CZ 3.41Å; P855-Y1026 WeakPolarHBondContact CG-OH 3.41Å; F990-Y1026 AromaticContact CD1-CD2 3.94Å; F990-Y1026 HydrophobicContact CD1-CD2 3.94Å; F990-Y1026 HydrophobicContact CD1-CE2 4.21Å; F990-Y1026 AromaticContact CE1-CD2 3.65Å; F990-Y1026 HydrophobicContact CE1-CD2 3.65Å; F990-Y1026 HydrophobicContact CE1-CE2 4.38Å; F990-Y1026 HydrophobicContact CE2-CD2 4.3Å; F990-Y1026 HydrophobicContact CG-CD2 4.39Å; F990-Y1026 HydrophobicContact CG-CE2 4.45Å; F990-Y1026 AromaticContact CZ-CD2 3.85Å; F990-Y1026 HydrophobicContact CZ-CD2 3.85Å; F1013-Y1026 AromaticContact CE1-CE2 3.89Å; F1013-Y1026 HydrophobicContact CE1-CE2 3.89Å; F1013-Y1026 AromaticContact CE1-CZ 3.92Å; F1013-Y1026 WeakPolarHBondContact CE1-OH 3.33Å; F1013-Y1026 HydrophobicContact CZ-CE2 4.47Å; F1013-Y1026 WeakPolarHBondContact CZ-OH 3.25Å; R1024-Y1026 PolarHBondContact O-N 3.07Å; R1024-Y1026 VanDerWaalsContact O-N 3.08Å; Y1026-L1028 PolarHBondContact O-N 3.48Å; Y1026-N1029 WeakPolarHBondContact O-CB 3.43Å; Y1026-N1029 PolarHBondContact O-N 2.88Å; Y1026-V1030 HydrophobicContact CE1-CG2 3.4Å; Y1026-V1030 HydrophobicContact CE2-CG2 4.31Å; Y1026-V1030 PolarHBondContact O-N 3.47Å; Y1026-V1030 WeakPolarHBondContact OH-CG2 3.37Å
1027	G	72.9	Confident	80	Confident	48 Å²	48	63 Å²	63	50%	0.495	37%	0.365	S	S	.	.	H	α-helix	trans	-64.4	-25.6	-174.2	0	0	0	0	0	113.7	S1025 A1031	S1025-G1027 VanDerWaalsContact C-N 3.31Å; S1025-G1027 PolarHBondContact O-N 3.35Å; G1027-A1031 PolarHBondContact O-N 3.44Å; G1027-A1031 VanDerWaalsContact O-N 3.16Å
1028	L	79.4	Confident	79.9	Confident	37 Å²	37	69.9 Å²	69.9	19%	0.194	39%	0.389	C	S	.	.	H	α-helix	trans	-75.5	-28.8	176.8	-53.7	176.8	0	0	0	111.3	S1025 Y1026 A1031 K1032 A1044 A1045	S1025-L1028 WeakPolarHBondContact O-CB 3.38Å; S1025-L1028 PolarHBondContact O-N 3.28Å; Y1026-L1028 PolarHBondContact O-N 3.48Å; L1028-A1031 PolarHBondContact O-N 3.06Å; L1028-K1032 PolarHBondContact O-N 3.5Å; L1028-A1044 HydrophobicContact CD2-CB 3.65Å; L1028-A1045 VanDerWaalsContact CD1-CA 3.48Å; L1028-A1045 HydrophobicContact CD1-CB 3.62Å
1029	N	75.1	Confident	80	Confident	17 Å²	17	74.7 Å²	74.7	9%	0.091	41%	0.408	C	S	.	.	H	α-helix	trans	-70.4	-36.1	175	-60.6	-12.2	0	0	0	111.2	V1011 Y1026 K1032 L1033	V1011-N1029 HydrophobicContact CG2-CB 3.8Å; Y1026-N1029 WeakPolarHBondContact O-CB 3.43Å; Y1026-N1029 PolarHBondContact O-N 2.88Å; N1029-K1032 WeakPolarHBondContact O-CB 3.4Å; N1029-K1032 PolarHBondContact O-N 3.32Å; N1029-L1033 WeakPolarHBondContact O-CG 3.22Å; N1029-L1033 PolarHBondContact O-N 2.74Å
1030	V	77.9	Confident	80	Confident	42 Å²	42	72.9 Å²	72.9	26%	0.255	41%	0.41	S	S	.	.	H	α-helix	trans	-66	-42.2	169.9	-174.8	0	0	0	0	111.2	F1013 Y1026 K1032 L1033 A1034	F1013-V1030 HydrophobicContact CZ-CG2 4.49Å; Y1026-V1030 HydrophobicContact CE1-CG2 3.4Å; Y1026-V1030 HydrophobicContact CE2-CG2 4.31Å; Y1026-V1030 PolarHBondContact O-N 3.47Å; Y1026-V1030 WeakPolarHBondContact OH-CG2 3.37Å; V1030-K1032 VanDerWaalsContact C-N 3.25Å; V1030-K1032 PolarHBondContact O-N 3.02Å; V1030-L1033 CarbonylContact O-C 3.52Å; V1030-L1033 WeakPolarHBondContact O-CB 3.07Å; V1030-L1033 PolarHBondContact O-N 3.19Å; V1030-L1033 VanDerWaalsContact O-N 3.09Å; V1030-A1034 PolarHBondContact O-N 3.06Å
1031	A	81.8	Confident	79.9	Confident	24 Å²	24	72.6 Å²	72.6	20%	0.198	40%	0.402	C	S	.	.	H	α-helix	trans	-63.1	-33.2	176.4	0	0	0	0	0	111.8	G1027 L1028 A1034 D1035 V1036 L1041	G1027-A1031 PolarHBondContact O-N 3.44Å; G1027-A1031 VanDerWaalsContact O-N 3.16Å; L1028-A1031 PolarHBondContact O-N 3.06Å; A1031-A1034 CarbonylContact O-C 3.42Å; A1031-A1034 PolarHBondContact O-N 2.9Å; A1031-D1035 PolarHBondContact O-N 3.17Å; A1031-V1036 HydrophobicContact CB-CB 4.11Å; A1031-V1036 HydrophobicContact CB-CG2 3.96Å; A1031-V1036 VanDerWaalsContact O-CB 3.25Å; A1031-V1036 WeakPolarHBondContact O-CB 3.08Å; A1031-V1036 WeakPolarHBondContact O-CG2 3.24Å; A1031-V1036 PolarHBondContact O-N 2.85Å; A1031-L1041 HydrophobicContact CB-CD2 3.46Å; A1031-L1041 VanDerWaalsContact CB-CD2 3.46Å
1032	K	79.3	Confident	80	Confident	44 Å²	44	73.5 Å²	73.5	19%	0.191	40%	0.404	C	S	.	.	H	α-helix	trans	-62.4	-43.5	168.9	-169	176.7	176.9	176.8	0	112.2	M1007 P1008 D1009 L1028 N1029 V1030 A1034 D1035 L1041	M1007-K1032 PolarHBondContact O-NZ 2.8Å; P1008-K1032 PolarHBondContact O-NZ 3.34Å; D1009-K1032 WeakPolarHBondContact OD1-CE 3.28Å; D1009-K1032 IonicContact OD1-NZ 3.31Å; D1009-K1032 PolarHBondContact OD1-NZ 3.22Å; L1028-K1032 PolarHBondContact O-N 3.5Å; N1029-K1032 WeakPolarHBondContact O-CB 3.4Å; N1029-K1032 PolarHBondContact O-N 3.32Å; V1030-K1032 VanDerWaalsContact C-N 3.25Å; V1030-K1032 PolarHBondContact O-N 3.02Å; K1032-A1034 VanDerWaalsContact C-N 3.25Å; K1032-A1034 PolarHBondContact O-N 2.65Å; K1032-D1035 PolarHBondContact O-N 2.94Å; K1032-L1041 HydrophobicContact CB-CD1 3.76Å; K1032-L1041 HydrophobicContact CG-CD1 4.24Å
1033	L	79.1	Confident	80.6	Confident	96 Å²	96	78.9 Å²	78.9	50%	0.503	42%	0.423	S	S	.	.	H	α-helix	trans	-66.3	-25.5	174	-67.4	173.4	0	0	0	113.2	N1029 V1030 D1035	N1029-L1033 WeakPolarHBondContact O-CG 3.22Å; N1029-L1033 PolarHBondContact O-N 2.74Å; V1030-L1033 CarbonylContact O-C 3.52Å; V1030-L1033 WeakPolarHBondContact O-CB 3.07Å; V1030-L1033 PolarHBondContact O-N 3.19Å; V1030-L1033 VanDerWaalsContact O-N 3.09Å; L1033-D1035 VanDerWaalsContact C-N 3.28Å
1034	A	85.1	Confident	81.6	Confident	71 Å²	71	77.7 Å²	77.7	59%	0.587	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	15.4	174.2	0	0	0	0	0	113.8	V1030 A1031 K1032 V1036	V1030-A1034 PolarHBondContact O-N 3.06Å; A1031-A1034 CarbonylContact O-C 3.42Å; A1031-A1034 PolarHBondContact O-N 2.9Å; K1032-A1034 VanDerWaalsContact C-N 3.25Å; K1032-A1034 PolarHBondContact O-N 2.65Å; A1034-V1036 VanDerWaalsContact C-N 3.26Å; A1034-V1036 PolarHBondContact O-N 3.24Å
1035	D	86.1	Confident	82.8	Confident	146 Å²	146	69.9 Å²	69.9	78%	0.781	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	33.9	-179.9	-156.6	30.4	0	0	0	114.7	A1031 K1032 L1033	A1031-D1035 PolarHBondContact O-N 3.17Å; K1032-D1035 PolarHBondContact O-N 2.94Å; L1033-D1035 VanDerWaalsContact C-N 3.28Å
1036	V	88.6	Confident	84.2	Confident	51 Å²	51	74 Å²	74	31%	0.309	40%	0.402	S	S	.	.			trans	-70.6	131	171.9	176.4	0	0	0	0	109.3	A1031 A1034 R1038 V1040 L1041	A1031-V1036 HydrophobicContact CB-CB 4.11Å; A1031-V1036 HydrophobicContact CB-CG2 3.96Å; A1031-V1036 VanDerWaalsContact O-CB 3.25Å; A1031-V1036 WeakPolarHBondContact O-CB 3.08Å; A1031-V1036 WeakPolarHBondContact O-CG2 3.24Å; A1031-V1036 PolarHBondContact O-N 2.85Å; A1034-V1036 VanDerWaalsContact C-N 3.26Å; A1034-V1036 PolarHBondContact O-N 3.24Å; V1036-R1038 PolarHBondContact O-N 2.84Å; V1036-V1040 HydrophobicContact CG1-CB 4.19Å; V1036-V1040 HydrophobicContact CG1-CG1 4.16Å; V1036-L1041 HydrophobicContact CB-CD2 4.07Å; V1036-L1041 HydrophobicContact CB-CG 4.47Å; V1036-L1041 HydrophobicContact CG1-CD2 3.87Å; V1036-L1041 HydrophobicContact CG1-CG 4.27Å; V1036-L1041 WeakPolarHBondContact O-CD1 3.04Å
1037	P	92	Very high	85.2	Confident	78 Å²	78	77.5 Å²	77.5	51%	0.506	42%	0.418	S	S	.	.			trans	-53	133.6	-174	-30.6	35.7	0	0	0	114.3	E1039 V1040 L1041	P1037-E1039 PolarHBondContact O-N 3.39Å; P1037-E1039 VanDerWaalsContact O-N 3.08Å; P1037-V1040 HydrophobicContact CB-CG2 4.28Å; P1037-V1040 WeakPolarHBondContact O-CB 3.24Å; P1037-V1040 PolarHBondContact O-N 3.26Å; P1037-L1041 PolarHBondContact O-N 2.78Å
1038	R	87.8	Confident	85.8	Confident	165 Å²	165	78.6 Å²	78.6	62%	0.623	42%	0.417	S	S	*	.	H	α-helix	trans	-52.4	-36	-175.9	-67.8	-176.7	174.6	-144.6	-8	113.4	D1009 V1036 V1040 L1041 Q1042	D1009-R1038 IonicContact OD1-NH2 3.57Å; V1036-R1038 PolarHBondContact O-N 2.84Å; R1038-V1040 PolarHBondContact O-N 3.29Å; R1038-L1041 PolarHBondContact O-N 3.15Å; R1038-Q1042 WeakPolarHBondContact O-CB 3.19Å; R1038-Q1042 WeakPolarHBondContact O-CG 3.49Å; R1038-Q1042 PolarHBondContact O-N 2.75Å
1039	E	91.3	Very high	86.1	Confident	157 Å²	157	82.6 Å²	82.6	73%	0.734	43%	0.433	S	S	*	.	H	α-helix	trans	-59.5	-42.2	175.9	-64	162.7	-158.9	0	0	112.7	P1037 K1043	P1037-E1039 PolarHBondContact O-N 3.39Å; P1037-E1039 VanDerWaalsContact O-N 3.08Å; E1039-K1043 WeakPolarHBondContact O-CB 3.45Å; E1039-K1043 PolarHBondContact O-N 3.25Å
1040	V	91.4	Very high	86.9	Confident	83 Å²	83	86.5 Å²	86.5	50%	0.503	45%	0.451	S	S	.	.	H	α-helix	trans	-68.4	-42.1	177.2	179.9	0	0	0	0	109.9	V1036 P1037 R1038 K1043 A1044	V1036-V1040 HydrophobicContact CG1-CB 4.19Å; V1036-V1040 HydrophobicContact CG1-CG1 4.16Å; P1037-V1040 HydrophobicContact CB-CG2 4.28Å; P1037-V1040 WeakPolarHBondContact O-CB 3.24Å; P1037-V1040 PolarHBondContact O-N 3.26Å; R1038-V1040 PolarHBondContact O-N 3.29Å; V1040-K1043 PolarHBondContact O-N 2.91Å; V1040-A1044 VanDerWaalsContact O-CB 3.27Å; V1040-A1044 WeakPolarHBondContact O-CB 3.44Å; V1040-A1044 PolarHBondContact O-N 3.17Å
1041	L	88	Confident	87.3	Confident	22 Å²	22	89.8 Å²	89.8	12%	0.115	47%	0.467	C	S	.	.	H	α-helix	trans	-63.6	-47.3	178.1	-59.4	179.7	0	0	0	112.1	A1031 K1032 V1036 P1037 R1038 K1043 A1044 A1045	A1031-L1041 HydrophobicContact CB-CD2 3.46Å; A1031-L1041 VanDerWaalsContact CB-CD2 3.46Å; K1032-L1041 HydrophobicContact CB-CD1 3.76Å; K1032-L1041 HydrophobicContact CG-CD1 4.24Å; V1036-L1041 HydrophobicContact CB-CD2 4.07Å; V1036-L1041 HydrophobicContact CB-CG 4.47Å; V1036-L1041 HydrophobicContact CG1-CD2 3.87Å; V1036-L1041 HydrophobicContact CG1-CG 4.27Å; V1036-L1041 WeakPolarHBondContact O-CD1 3.04Å; P1037-L1041 PolarHBondContact O-N 2.78Å; R1038-L1041 PolarHBondContact O-N 3.15Å; L1041-K1043 VanDerWaalsContact C-N 3.33Å; L1041-K1043 PolarHBondContact O-N 3.26Å; L1041-A1044 PolarHBondContact O-N 3.41Å; L1041-A1045 WeakPolarHBondContact O-CB 3.42Å; L1041-A1045 PolarHBondContact O-N 2.76Å
1042	Q	87.9	Confident	87.5	Confident	111 Å²	111	92 Å²	92	52%	0.519	47%	0.473	S	S	.	.	H	α-helix	trans	-59.9	-42.8	175	-74.5	174.7	-19	0	0	111.5	R1038 A1045 H1046	R1038-Q1042 WeakPolarHBondContact O-CB 3.19Å; R1038-Q1042 WeakPolarHBondContact O-CG 3.49Å; R1038-Q1042 PolarHBondContact O-N 2.75Å; Q1042-A1045 PolarHBondContact O-N 2.81Å; Q1042-H1046 PolarHBondContact O-N 3.29Å; Q1042-H1046 VanDerWaalsContact O-N 3.12Å
1043	K	91.1	Very high	87.8	Confident	137 Å²	137	91.8 Å²	91.8	60%	0.596	48%	0.483	S	S	*	.	H	α-helix	trans	-67.5	-37.6	178.2	-169	56.7	169.4	-176	0	112.5	E1039 V1040 L1041 K1047	E1039-K1043 WeakPolarHBondContact O-CB 3.45Å; E1039-K1043 PolarHBondContact O-N 3.25Å; V1040-K1043 PolarHBondContact O-N 2.91Å; L1041-K1043 VanDerWaalsContact C-N 3.33Å; L1041-K1043 PolarHBondContact O-N 3.26Å; K1043-K1047 WeakPolarHBondContact O-CB 3.24Å; K1043-K1047 PolarHBondContact O-N 3.33Å
1044	A	89.1	Confident	88.3	Confident	38 Å²	38	90.6 Å²	90.6	31%	0.314	48%	0.476	S	S	.	.	H	α-helix	trans	-68.5	-40.8	175.7	0	0	0	0	0	112.1	L1028 V1040 L1041 K1047 S1048	L1028-A1044 HydrophobicContact CD2-CB 3.65Å; V1040-A1044 VanDerWaalsContact O-CB 3.27Å; V1040-A1044 WeakPolarHBondContact O-CB 3.44Å; V1040-A1044 PolarHBondContact O-N 3.17Å; L1041-A1044 PolarHBondContact O-N 3.41Å; A1044-K1047 PolarHBondContact O-N 3.13Å; A1044-S1048 WeakPolarHBondContact O-CB 3.34Å; A1044-S1048 PolarHBondContact O-N 3.23Å
1045	A	86.8	Confident	88.4	Confident	22 Å²	22	90.5 Å²	90.5	18%	0.182	47%	0.469	C	S	.	.	H	α-helix	trans	-56.8	-52.1	173.5	0	0	0	0	0	111.3	L1028 L1041 Q1042 K1047 S1048 K1049	L1028-A1045 VanDerWaalsContact CD1-CA 3.48Å; L1028-A1045 HydrophobicContact CD1-CB 3.62Å; L1041-A1045 WeakPolarHBondContact O-CB 3.42Å; L1041-A1045 PolarHBondContact O-N 2.76Å; Q1042-A1045 PolarHBondContact O-N 2.81Å; A1045-K1047 PolarHBondContact O-N 3.49Å; A1045-S1048 PolarHBondContact O-N 2.97Å; A1045-K1049 WeakPolarHBondContact O-CB 3.47Å; A1045-K1049 PolarHBondContact O-N 2.82Å
1046	H	88.4	Confident	88.2	Confident	138 Å²	138	86.3 Å²	86.3	64%	0.639	45%	0.45	S	S	*	.	H	α-helix	trans	-56.5	-47.3	175.1	-100.3	-85.6	0	0	0	112.3	Q1042 S1048 K1049 E1050	Q1042-H1046 PolarHBondContact O-N 3.29Å; Q1042-H1046 VanDerWaalsContact O-N 3.12Å; H1046-S1048 VanDerWaalsContact C-N 3.35Å; H1046-S1048 PolarHBondContact O-N 3.2Å; H1046-K1049 PolarHBondContact O-N 2.86Å; H1046-E1050 WeakPolarHBondContact O-CB 3.28Å; H1046-E1050 PolarHBondContact O-N 2.98Å
1047	K	89.7	Confident	88.2	Confident	101 Å²	101	88.9 Å²	88.9	44%	0.439	46%	0.462	S	S	.	.	H	α-helix	trans	-69.1	-30	-178.9	-83.4	-71.5	172.9	-159.6	0	113.7	K1043 A1044 A1045 E1050 L1051	K1043-K1047 WeakPolarHBondContact O-CB 3.24Å; K1043-K1047 PolarHBondContact O-N 3.33Å; A1044-K1047 PolarHBondContact O-N 3.13Å; A1045-K1047 PolarHBondContact O-N 3.49Å; K1047-E1050 WeakPolarHBondContact CD-OE2 3.4Å; K1047-E1050 VanDerWaalsContact CE-OE2 3.29Å; K1047-E1050 WeakPolarHBondContact CE-OE2 3.27Å; K1047-E1050 IonicContact NZ-OE1 3.03Å; K1047-E1050 PolarHBondContact NZ-OE1 2.87Å; K1047-E1050 IonicContact NZ-OE2 2.8Å; K1047-E1050 PolarHBondContact NZ-OE2 3.49Å; K1047-L1051 VanDerWaalsContact O-CB 3.28Å; K1047-L1051 WeakPolarHBondContact O-CB 3.01Å; K1047-L1051 PolarHBondContact O-N 3.45Å
1048	S	86.8	Confident	88	Confident	70 Å²	70	92.7 Å²	92.7	49%	0.49	47%	0.466	S	S	.	.	H	α-helix	trans	-67.4	-51.3	172	-164.8	0	0	0	0	111.1	A1044 A1045 H1046 E1050 L1051 E1052	A1044-S1048 WeakPolarHBondContact O-CB 3.34Å; A1044-S1048 PolarHBondContact O-N 3.23Å; A1045-S1048 PolarHBondContact O-N 2.97Å; H1046-S1048 VanDerWaalsContact C-N 3.35Å; H1046-S1048 PolarHBondContact O-N 3.2Å; S1048-E1050 VanDerWaalsContact C-N 3.31Å; S1048-E1050 PolarHBondContact O-N 2.97Å; S1048-L1051 PolarHBondContact O-N 3.02Å; S1048-E1052 VanDerWaalsContact O-CB 3.31Å; S1048-E1052 WeakPolarHBondContact O-CB 3.48Å; S1048-E1052 PolarHBondContact O-N 2.81Å
1049	K	85.9	Confident	87.9	Confident	121 Å²	121	88.8 Å²	88.8	53%	0.526	45%	0.452	S	S	.	.	H	α-helix	trans	-61.2	-39.5	179.7	-159.7	165.5	-178.2	170	0	111	E1005 A1045 H1046 G1053	E1005-K1049 IonicContact OE1-NZ 2.81Å; E1005-K1049 PolarHBondContact OE1-NZ 3.35Å; E1005-K1049 IonicContact OE2-NZ 2.82Å; E1005-K1049 PolarHBondContact OE2-NZ 3.18Å; A1045-K1049 WeakPolarHBondContact O-CB 3.47Å; A1045-K1049 PolarHBondContact O-N 2.82Å; H1046-K1049 PolarHBondContact O-N 2.86Å; K1049-G1053 PolarHBondContact O-N 3.02Å; K1049-G1053 VanDerWaalsContact O-N 3.14Å
1050	E	89.8	Confident	87.6	Confident	100 Å²	100	83.9 Å²	83.9	47%	0.467	43%	0.428	S	S	.	.	H	α-helix	trans	-63.2	-48.9	173.7	-174.7	-167.7	138.4	0	0	112.8	H1046 K1047 S1048 L1054	H1046-E1050 WeakPolarHBondContact O-CB 3.28Å; H1046-E1050 PolarHBondContact O-N 2.98Å; K1047-E1050 WeakPolarHBondContact CD-OE2 3.4Å; K1047-E1050 VanDerWaalsContact CE-OE2 3.29Å; K1047-E1050 WeakPolarHBondContact CE-OE2 3.27Å; K1047-E1050 IonicContact NZ-OE1 3.03Å; K1047-E1050 PolarHBondContact NZ-OE1 2.87Å; K1047-E1050 IonicContact NZ-OE2 2.8Å; K1047-E1050 PolarHBondContact NZ-OE2 3.49Å; S1048-E1050 VanDerWaalsContact C-N 3.31Å; S1048-E1050 PolarHBondContact O-N 2.97Å; E1050-L1054 WeakPolarHBondContact O-CB 3.41Å; E1050-L1054 PolarHBondContact O-N 3.21Å
1051	L	87.9	Confident	87.4	Confident	111 Å²	111	87.4 Å²	87.4	58%	0.581	43%	0.432	S	S	*	.	H	α-helix	trans	-70.6	-44	-176.8	-175.7	64.6	0	0	0	111.9	K1047 S1048 L1054 V1055	K1047-L1051 VanDerWaalsContact O-CB 3.28Å; K1047-L1051 WeakPolarHBondContact O-CB 3.01Å; K1047-L1051 PolarHBondContact O-N 3.45Å; S1048-L1051 PolarHBondContact O-N 3.02Å; L1051-L1054 PolarHBondContact O-N 2.96Å; L1051-V1055 HydrophobicContact CD1-CG2 4.31Å; L1051-V1055 WeakPolarHBondContact O-CB 2.99Å; L1051-V1055 VanDerWaalsContact O-CG2 3.31Å; L1051-V1055 WeakPolarHBondContact O-CG2 3.46Å; L1051-V1055 PolarHBondContact O-N 3.35Å
1052	E	84.5	Confident	87.4	Confident	71 Å²	71	91.7 Å²	91.7	33%	0.332	46%	0.455	S	S	.	.	H	α-helix	trans	-58.8	-51.1	176.8	-172.3	-172.6	167.9	0	0	110.8	R1024 S1048 L1054 V1055 S1056	R1024-E1052 IonicContact CZ-OE1 2.74Å; R1024-E1052 IonicContact NE-OE1 2.7Å; R1024-E1052 PolarHBondContact NE-OE1 3.42Å; R1024-E1052 IonicContact NE-OE2 3.05Å; R1024-E1052 PolarHBondContact NE-OE2 3.41Å; R1024-E1052 VanDerWaalsContact NE-OE2 3.12Å; R1024-E1052 IonicContact NH2-OE1 3.29Å; R1024-E1052 PolarHBondContact NH2-OE1 2.83Å; S1048-E1052 VanDerWaalsContact O-CB 3.31Å; S1048-E1052 WeakPolarHBondContact O-CB 3.48Å; S1048-E1052 PolarHBondContact O-N 2.81Å; E1052-L1054 PolarHBondContact O-N 2.91Å; E1052-V1055 PolarHBondContact O-N 2.97Å; E1052-S1056 WeakPolarHBondContact O-CB 3.32Å; E1052-S1056 PolarHBondContact O-N 3.44Å
1053	G	86.5	Confident	87.2	Confident	38 Å²	38	90.3 Å²	90.3	39%	0.392	45%	0.448	S	S	.	.	H	α-helix	trans	-61.6	-43.1	177.6	0	0	0	0	0	112.9	K1049 V1055 L1057	K1049-G1053 PolarHBondContact O-N 3.02Å; K1049-G1053 VanDerWaalsContact O-N 3.14Å; G1053-V1055 PolarHBondContact O-N 3.35Å; G1053-L1057 WeakPolarHBondContact O-CB 3.46Å; G1053-L1057 PolarHBondContact O-N 3.5Å
1054	L	89.4	Confident	86.9	Confident	71 Å²	71	85.3 Å²	85.3	37%	0.372	43%	0.43	S	S	.	.	H	α-helix	trans	-64.4	-38.8	178.3	-179.7	150.2	0	0	0	112.6	E1050 L1051 E1052 R1058	E1050-L1054 WeakPolarHBondContact O-CB 3.41Å; E1050-L1054 PolarHBondContact O-N 3.21Å; L1051-L1054 PolarHBondContact O-N 2.96Å; E1052-L1054 PolarHBondContact O-N 2.91Å; L1054-R1058 WeakPolarHBondContact O-CB 3.37Å; L1054-R1058 WeakPolarHBondContact O-CD 3.47Å; L1054-R1058 WeakPolarHBondContact O-CG 3.34Å; L1054-R1058 PolarHBondContact O-N 3.48Å
1055	V	86.6	Confident	86.8	Confident	70 Å²	70	89 Å²	89	42%	0.424	44%	0.44	S	S	.	.	H	α-helix	trans	-72.6	-47.7	178	171.8	0	0	0	0	110.7	L1051 E1052 G1053 R1058 R1059	L1051-V1055 HydrophobicContact CD1-CG2 4.31Å; L1051-V1055 WeakPolarHBondContact O-CB 2.99Å; L1051-V1055 VanDerWaalsContact O-CG2 3.31Å; L1051-V1055 WeakPolarHBondContact O-CG2 3.46Å; L1051-V1055 PolarHBondContact O-N 3.35Å; E1052-V1055 PolarHBondContact O-N 2.97Å; G1053-V1055 PolarHBondContact O-N 3.35Å; V1055-R1058 PolarHBondContact O-N 2.75Å; V1055-R1059 PolarHBondContact O-N 3.46Å
1056	S	83.6	Confident	86.8	Confident	57 Å²	57	92 Å²	92	40%	0.399	46%	0.455	S	S	.	.	H	α-helix	trans	-62	-47.5	179.6	-176.3	0	0	0	0	112.2	E1052 R1058 R1059 K1060	E1052-S1056 WeakPolarHBondContact O-CB 3.32Å; E1052-S1056 PolarHBondContact O-N 3.44Å; S1056-R1058 VanDerWaalsContact C-N 3.25Å; S1056-R1058 PolarHBondContact O-N 2.81Å; S1056-R1059 PolarHBondContact O-N 3.23Å; S1056-K1060 PolarHBondContact O-N 2.83Å
1057	L	87.6	Confident	86.5	Confident	106 Å²	106	88.6 Å²	88.6	56%	0.555	44%	0.442	S	S	*	.	H	α-helix	trans	-62.4	-31.2	178.4	-171.8	75.6	0	0	0	112.7	G1053 R1061	G1053-L1057 WeakPolarHBondContact O-CB 3.46Å; G1053-L1057 PolarHBondContact O-N 3.5Å; L1057-R1061 VanDerWaalsContact O-CB 3.26Å; L1057-R1061 WeakPolarHBondContact O-CB 3.46Å; L1057-R1061 PolarHBondContact O-N 2.92Å
1058	R	88.1	Confident	86.3	Confident	158 Å²	158	86.8 Å²	86.8	60%	0.596	44%	0.437	S	S	*	.	H	α-helix	trans	-74.9	-43.8	174.4	-77	176.5	-179.9	-164.1	1	111.8	L1054 V1055 S1056 L1062	L1054-R1058 WeakPolarHBondContact O-CB 3.37Å; L1054-R1058 WeakPolarHBondContact O-CD 3.47Å; L1054-R1058 WeakPolarHBondContact O-CG 3.34Å; L1054-R1058 PolarHBondContact O-N 3.48Å; V1055-R1058 PolarHBondContact O-N 2.75Å; S1056-R1058 VanDerWaalsContact C-N 3.25Å; S1056-R1058 PolarHBondContact O-N 2.81Å; R1058-L1062 WeakPolarHBondContact O-CD1 3.31Å; R1058-L1062 PolarHBondContact O-N 3.23Å; R1058-L1062 VanDerWaalsContact O-N 3.14Å
1059	R	86.4	Confident	86.5	Confident	83 Å²	83	92.6 Å²	92.6	31%	0.313	45%	0.448	S	S	.	.	H	α-helix	trans	-58.5	-61.5	176.2	-84.7	-168.8	58.9	-150.7	-7.9	111.7	E974 V1055 S1056 R1061 L1062 E1063	E974-R1059 IonicContact OE1-CZ 3.09Å; E974-R1059 IonicContact OE1-NH1 2.7Å; E974-R1059 PolarHBondContact OE1-NH1 2.84Å; E974-R1059 IonicContact OE2-CZ 2.89Å; E974-R1059 IonicContact OE2-NH1 2.65Å; E974-R1059 PolarHBondContact OE2-NH1 3.49Å; E974-R1059 IonicContact OE2-NH2 2.69Å; E974-R1059 PolarHBondContact OE2-NH2 2.9Å; V1055-R1059 PolarHBondContact O-N 3.46Å; S1056-R1059 PolarHBondContact O-N 3.23Å; R1059-R1061 VanDerWaalsContact C-N 3.25Å; R1059-R1061 PolarHBondContact O-N 3.39Å; R1059-R1061 VanDerWaalsContact O-N 3.15Å; R1059-L1062 PolarHBondContact O-N 3.39Å; R1059-E1063 IonicContact CZ-OE1 2.8Å; R1059-E1063 VanDerWaalsContact CZ-OE1 3.3Å; R1059-E1063 IonicContact NE-OE1 3.07Å; R1059-E1063 PolarHBondContact NE-OE1 2.71Å; R1059-E1063 IonicContact NH2-OE1 3.4Å; R1059-E1063 PolarHBondContact NH2-OE1 3.14Å; R1059-E1063 IonicContact NH2-OE2 3.94Å; R1059-E1063 WeakPolarHBondContact O-CG 3.38Å; R1059-E1063 PolarHBondContact O-N 3.11Å
1060	K	83.8	Confident	86.4	Confident	54 Å²	54	91.5 Å²	91.5	24%	0.235	45%	0.452	C	S	.	.	H	α-helix	trans	-49.1	-46.8	179	-80.1	175	166.6	-86.2	0	112	S1056 L1062 E1063 C1064 E1087	S1056-K1060 PolarHBondContact O-N 2.83Å; K1060-L1062 PolarHBondContact O-N 2.98Å; K1060-E1063 WeakPolarHBondContact CA-OE2 3.42Å; K1060-E1063 PolarHBondContact N-OE2 3.48Å; K1060-E1063 PolarHBondContact O-N 3.17Å; K1060-C1064 WeakPolarHBondContact O-CB 3.4Å; K1060-C1064 PolarHBondContact O-N 2.96Å; K1060-C1064 PolarHBondContact O-SG 3.33Å; K1060-E1087 IonicContact NZ-OE2 2.65Å; K1060-E1087 PolarHBondContact NZ-OE2 3.01Å
1061	R	87.1	Confident	86.1	Confident	156 Å²	156	88.1 Å²	88.1	59%	0.589	44%	0.438	S	S	*	.	H	α-helix	trans	-62.4	-39.7	179.8	-169.2	-169.7	-50.7	-177	1	113.1	L1057 R1059 F1065	L1057-R1061 VanDerWaalsContact O-CB 3.26Å; L1057-R1061 WeakPolarHBondContact O-CB 3.46Å; L1057-R1061 PolarHBondContact O-N 2.92Å; R1059-R1061 VanDerWaalsContact C-N 3.25Å; R1059-R1061 PolarHBondContact O-N 3.39Å; R1059-R1061 VanDerWaalsContact O-N 3.15Å; R1061-F1065 WeakPolarHBondContact O-CB 3.33Å; R1061-F1065 PolarHBondContact O-N 3.16Å; R1061-F1065 VanDerWaalsContact O-N 3.13Å
1062	L	88.8	Confident	85.9	Confident	112 Å²	112	91 Å²	91	59%	0.586	45%	0.448	S	S	*	.	H	α-helix	trans	-74.7	-40.7	177.3	-95	65.9	0	0	0	111.5	R1058 R1059 K1060 F1065 T1066	R1058-L1062 WeakPolarHBondContact O-CD1 3.31Å; R1058-L1062 PolarHBondContact O-N 3.23Å; R1058-L1062 VanDerWaalsContact O-N 3.14Å; R1059-L1062 PolarHBondContact O-N 3.39Å; K1060-L1062 PolarHBondContact O-N 2.98Å; L1062-F1065 PolarHBondContact O-N 3.42Å; L1062-T1066 WeakPolarHBondContact O-CB 3.5Å; L1062-T1066 PolarHBondContact O-N 3.14Å; L1062-T1066 PolarHBondContact O-OG1 2.71Å
1063	E	83.9	Confident	85.9	Confident	82 Å²	82	90 Å²	90	38%	0.383	45%	0.449	S	S	.	.	H	α-helix	trans	-60.6	-56.7	176.5	-71.4	153.6	170.5	0	0	110	R1059 K1060 F1065 T1066 D1067	R1059-E1063 IonicContact CZ-OE1 2.8Å; R1059-E1063 VanDerWaalsContact CZ-OE1 3.3Å; R1059-E1063 IonicContact NE-OE1 3.07Å; R1059-E1063 PolarHBondContact NE-OE1 2.71Å; R1059-E1063 IonicContact NH2-OE1 3.4Å; R1059-E1063 PolarHBondContact NH2-OE1 3.14Å; R1059-E1063 IonicContact NH2-OE2 3.94Å; R1059-E1063 WeakPolarHBondContact O-CG 3.38Å; R1059-E1063 PolarHBondContact O-N 3.11Å; K1060-E1063 WeakPolarHBondContact CA-OE2 3.42Å; K1060-E1063 PolarHBondContact N-OE2 3.48Å; K1060-E1063 PolarHBondContact O-N 3.17Å; E1063-F1065 VanDerWaalsContact C-N 3.34Å; E1063-F1065 PolarHBondContact O-N 3.22Å; E1063-T1066 PolarHBondContact O-N 3.39Å; E1063-T1066 VanDerWaalsContact O-N 3.1Å; E1063-D1067 PolarHBondContact O-N 3.25Å
1064	C	83.6	Confident	85.7	Confident	33 Å²	33	93.3 Å²	93.3	22%	0.223	46%	0.462	C	S	.	.	H	α-helix	trans	-59.5	-38.9	176.9	-62.6	0	0	0	0	113.1	K1060 L1068 W1080 L1084	K1060-C1064 WeakPolarHBondContact O-CB 3.4Å; K1060-C1064 PolarHBondContact O-N 2.96Å; K1060-C1064 PolarHBondContact O-SG 3.33Å; C1064-L1068 VanDerWaalsContact O-CB 3.24Å; C1064-L1068 WeakPolarHBondContact O-CB 3.5Å; C1064-L1068 PolarHBondContact O-N 3.22Å; C1064-W1080 HydrophobicContact CB-CZ2 4.15Å; C1064-W1080 PolarHBondContact O-NE1 3.44Å; C1064-L1084 HydrophobicContact CB-CD1 4.37Å
1065	F	88.1	Confident	85.3	Confident	116 Å²	116	98 Å²	98	51%	0.509	48%	0.479	S	S	.	.	H	α-helix	trans	-66.1	-36.8	176.1	175	-96.4	0	0	0	112.4	R1061 L1062 E1063 L1068 W1069	R1061-F1065 WeakPolarHBondContact O-CB 3.33Å; R1061-F1065 PolarHBondContact O-N 3.16Å; R1061-F1065 VanDerWaalsContact O-N 3.13Å; L1062-F1065 PolarHBondContact O-N 3.42Å; E1063-F1065 VanDerWaalsContact C-N 3.34Å; E1063-F1065 PolarHBondContact O-N 3.22Å; F1065-L1068 PolarHBondContact O-N 2.96Å; F1065-W1069 HydrophobicContact CE1-CE3 4.31Å; F1065-W1069 HydrophobicContact CE2-CE3 4.16Å; F1065-W1069 HydrophobicContact CZ-CD2 4.46Å; F1065-W1069 AromaticContact CZ-CE3 3.63Å; F1065-W1069 HydrophobicContact CZ-CE3 3.63Å; F1065-W1069 HydrophobicContact CZ-CZ3 4.05Å; F1065-W1069 WeakPolarHBondContact O-CB 3.41Å; F1065-W1069 PolarHBondContact O-N 3.36Å
1066	T	86.6	Confident	85	Confident	84 Å²	84	98.2 Å²	98.2	52%	0.515	48%	0.478	S	S	.	.	H	α-helix	trans	-71.4	-44.2	-179.3	-53.6	0	0	0	0	111	L1062 E1063 L1068 W1069 T1070	L1062-T1066 WeakPolarHBondContact O-CB 3.5Å; L1062-T1066 PolarHBondContact O-N 3.14Å; L1062-T1066 PolarHBondContact O-OG1 2.71Å; E1063-T1066 PolarHBondContact O-N 3.39Å; E1063-T1066 VanDerWaalsContact O-N 3.1Å; T1066-L1068 PolarHBondContact O-N 3.23Å; T1066-W1069 PolarHBondContact O-N 3.35Å; T1066-T1070 PolarHBondContact O-N 3.23Å
1067	D	82.3	Confident	85	Confident	66 Å²	66	99.6 Å²	99.6	35%	0.353	48%	0.48	S	S	.	.	H	α-helix	trans	-57.2	-49.5	170.9	-83.4	23.1	0	0	0	110.3	E1063 W1069 T1070 T1071 K1083	E1063-D1067 PolarHBondContact O-N 3.25Å; D1067-W1069 VanDerWaalsContact C-N 3.3Å; D1067-W1069 PolarHBondContact O-N 3.26Å; D1067-T1070 PolarHBondContact O-N 3.35Å; D1067-T1070 VanDerWaalsContact O-N 3.07Å; D1067-T1070 PolarHBondContact O-OG1 3.45Å; D1067-T1071 PolarHBondContact O-N 2.97Å; D1067-T1071 PolarHBondContact O-OG1 3.49Å; D1067-K1083 IonicContact OD2-NZ 3.78Å; D1067-K1083 PolarHBondContact OD2-NZ 3Å
1068	L	85.8	Confident	84.7	Confident	64 Å²	64	100.1 Å²	100.1	34%	0.335	48%	0.479	S	S	.	.	H	α-helix	trans	-59.3	-38.4	-179.8	-175.3	63.2	0	0	0	112.6	C1064 F1065 T1066 T1070 T1071 L1077 W1080	C1064-L1068 VanDerWaalsContact O-CB 3.24Å; C1064-L1068 WeakPolarHBondContact O-CB 3.5Å; C1064-L1068 PolarHBondContact O-N 3.22Å; F1065-L1068 PolarHBondContact O-N 2.96Å; T1066-L1068 PolarHBondContact O-N 3.23Å; L1068-T1070 PolarHBondContact O-N 3.01Å; L1068-T1071 WeakPolarHBondContact CA-OG1 3.41Å; L1068-T1071 VanDerWaalsContact O-CB 3.24Å; L1068-T1071 WeakPolarHBondContact O-CB 3.43Å; L1068-T1071 PolarHBondContact O-N 3.38Å; L1068-T1071 PolarHBondContact O-OG1 3.05Å; L1068-L1077 HydrophobicContact CD1-CD1 3.56Å; L1068-W1080 HydrophobicContact CB-CZ2 3.84Å; L1068-W1080 HydrophobicContact CD1-CD2 4.12Å; L1068-W1080 HydrophobicContact CD1-CE3 4.25Å; L1068-W1080 HydrophobicContact CD1-CH2 4.28Å; L1068-W1080 HydrophobicContact CD1-CZ2 4.13Å; L1068-W1080 HydrophobicContact CD1-CZ3 4.34Å; L1068-W1080 HydrophobicContact CD2-CH2 4.03Å; L1068-W1080 HydrophobicContact CD2-CZ2 3.9Å; L1068-W1080 HydrophobicContact CG-CZ2 4.18Å
1069	W	89.3	Confident	84.2	Confident	191 Å²	191	96.6 Å²	96.6	72%	0.723	48%	0.476	S	S	*	.	H	α-helix	trans	-63.3	-26.4	178.8	-168.5	-91.7	0	0	0	113.2	F1065 T1066 D1067	F1065-W1069 HydrophobicContact CE1-CE3 4.31Å; F1065-W1069 HydrophobicContact CE2-CE3 4.16Å; F1065-W1069 HydrophobicContact CZ-CD2 4.46Å; F1065-W1069 AromaticContact CZ-CE3 3.63Å; F1065-W1069 HydrophobicContact CZ-CE3 3.63Å; F1065-W1069 HydrophobicContact CZ-CZ3 4.05Å; F1065-W1069 WeakPolarHBondContact O-CB 3.41Å; F1065-W1069 PolarHBondContact O-N 3.36Å; T1066-W1069 PolarHBondContact O-N 3.35Å; D1067-W1069 VanDerWaalsContact C-N 3.3Å; D1067-W1069 PolarHBondContact O-N 3.26Å
1070	T	84.6	Confident	84	Confident	98 Å²	98	95.3 Å²	95.3	60%	0.601	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-3.8	175.3	66.5	0	0	0	0	114	T1066 D1067 L1068	T1066-T1070 PolarHBondContact O-N 3.23Å; D1067-T1070 PolarHBondContact O-N 3.35Å; D1067-T1070 VanDerWaalsContact O-N 3.07Å; D1067-T1070 PolarHBondContact O-OG1 3.45Å; L1068-T1070 PolarHBondContact O-N 3.01Å
1071	T	83.3	Confident	83.7	Confident	30 Å²	30	94.3 Å²	94.3	18%	0.184	47%	0.473	C	S	.	.			trans	-82.8	123.9	-173.6	-59.9	0	0	0	0	110.7	D1067 L1068 D1076 L1077	D1067-T1071 PolarHBondContact O-N 2.97Å; D1067-T1071 PolarHBondContact O-OG1 3.49Å; L1068-T1071 WeakPolarHBondContact CA-OG1 3.41Å; L1068-T1071 VanDerWaalsContact O-CB 3.24Å; L1068-T1071 WeakPolarHBondContact O-CB 3.43Å; L1068-T1071 PolarHBondContact O-N 3.38Å; L1068-T1071 PolarHBondContact O-OG1 3.05Å; T1071-D1076 HydrophobicContact CG2-CB 3.8Å; T1071-L1077 HydrophobicContact CG2-CB 4Å; T1071-L1077 HydrophobicContact CG2-CD1 3.88Å
1072	H	83.9	Confident	83.2	Confident	170 Å²	170	91.1 Å²	91.1	79%	0.787	47%	0.467	S	S	*	.			trans	-128.8	-16.5	-173.2	-64.4	-15.8	0	0	0	115.2
1073	S	84.8	Confident	82.5	Confident	52 Å²	52	91.7 Å²	91.7	36%	0.364	47%	0.465	S	S	.	.	S	Bend	trans	-114.9	157.9	172.8	91.9	0	0	0	0	112.7	K1075 D1076 L1077	S1073-K1075 PolarHBondContact O-N 2.84Å; S1073-K1075 PolarHBondContact OG-N 2.8Å; S1073-D1076 WeakPolarHBondContact CB-OD2 3.41Å; S1073-D1076 PolarHBondContact N-OD2 3.34Å; S1073-D1076 PolarHBondContact O-N 3.12Å; S1073-D1076 VanDerWaalsContact O-N 3.16Å; S1073-D1076 PolarHBondContact OG-N 2.88Å; S1073-D1076 PolarHBondContact OG-OD2 2.85Å; S1073-L1077 PolarHBondContact O-N 2.89Å
1074	V	82.4	Confident	81.9	Confident	107 Å²	107	89.9 Å²	89.9	65%	0.648	46%	0.458	S	S	*	.	H	α-helix	trans	-61.3	-29.1	176.9	-176.7	0	0	0	0	111.7	H1078	V1074-H1078 PolarHBondContact O-CD2 3.46Å; V1074-H1078 PolarHBondContact O-N 3.07Å; V1074-H1078 VanDerWaalsContact O-N 3.1Å
1075	K	80.6	Confident	81	Confident	169 Å²	169	94.3 Å²	94.3	74%	0.735	48%	0.476	S	S	*	.	H	α-helix	trans	-69.6	-41	176	-69.5	-172.6	175.2	-174.1	0	112.1	S1073 L1077 H1078 T1079	S1073-K1075 PolarHBondContact O-N 2.84Å; S1073-K1075 PolarHBondContact OG-N 2.8Å; K1075-L1077 VanDerWaalsContact C-N 3.29Å; K1075-H1078 PolarHBondContact O-N 2.94Å; K1075-T1079 PolarHBondContact O-N 3.22Å; K1075-T1079 PolarHBondContact O-OG1 3.2Å
1076	D	79.8	Confident	79.8	Confident	75 Å²	75	95.1 Å²	95.1	40%	0.401	48%	0.483	S	S	.	.	H	α-helix	trans	-70	-33	178.9	-46.3	-47	0	0	0	110.5	T1071 S1073 T1079 W1080	T1071-D1076 HydrophobicContact CG2-CB 3.8Å; S1073-D1076 WeakPolarHBondContact CB-OD2 3.41Å; S1073-D1076 PolarHBondContact N-OD2 3.34Å; S1073-D1076 PolarHBondContact O-N 3.12Å; S1073-D1076 VanDerWaalsContact O-N 3.16Å; S1073-D1076 PolarHBondContact OG-N 2.88Å; S1073-D1076 PolarHBondContact OG-OD2 2.85Å; D1076-T1079 PolarHBondContact O-N 3.45Å; D1076-T1079 PolarHBondContact O-OG1 2.94Å; D1076-W1080 VanDerWaalsContact O-CB 3.28Å; D1076-W1080 WeakPolarHBondContact O-CB 3.34Å; D1076-W1080 PolarHBondContact O-N 3.11Å
1077	L	83.9	Confident	78.5	Confident	85 Å²	85	94.6 Å²	94.6	45%	0.445	47%	0.474	S	S	.	.	H	α-helix	trans	-68.1	-35	173.8	-161.3	72.3	0	0	0	112.3	L1068 T1071 S1073 K1075 A1081	L1068-L1077 HydrophobicContact CD1-CD1 3.56Å; T1071-L1077 HydrophobicContact CG2-CB 4Å; T1071-L1077 HydrophobicContact CG2-CD1 3.88Å; S1073-L1077 PolarHBondContact O-N 2.89Å; K1075-L1077 VanDerWaalsContact C-N 3.29Å; L1077-A1081 WeakPolarHBondContact O-CB 3.4Å; L1077-A1081 PolarHBondContact O-N 3.47Å
1078	H	80.7	Confident	77.1	Confident	117 Å²	117	97.1 Å²	97.1	54%	0.542	48%	0.484	S	S	.	.	H	α-helix	trans	-66.7	-50.1	171.1	-82.4	-65.6	0	0	0	111.8	V1074 K1075 W1080 A1081 D1082	V1074-H1078 PolarHBondContact O-CD2 3.46Å; V1074-H1078 PolarHBondContact O-N 3.07Å; V1074-H1078 VanDerWaalsContact O-N 3.1Å; K1075-H1078 PolarHBondContact O-N 2.94Å; H1078-W1080 PolarHBondContact O-N 3.41Å; H1078-A1081 WeakPolarHBondContact O-CA 3.33Å; H1078-A1081 WeakPolarHBondContact O-CB 3.49Å; H1078-A1081 PolarHBondContact O-N 3.25Å; H1078-D1082 PolarHBondContact O-N 3.25Å
1079	T	79.4	Confident	75.1	Confident	85 Å²	85	98.7 Å²	98.7	52%	0.521	49%	0.492	S	S	.	.	H	α-helix	trans	-66.8	-24.7	179.8	56.1	0	0	0	0	113.2	K1075 D1076 K1083	K1075-T1079 PolarHBondContact O-N 3.22Å; K1075-T1079 PolarHBondContact O-OG1 3.2Å; D1076-T1079 PolarHBondContact O-N 3.45Å; D1076-T1079 PolarHBondContact O-OG1 2.94Å; T1079-K1083 WeakPolarHBondContact O-CG 3.3Å; T1079-K1083 PolarHBondContact O-N 3.47Å
1080	W	81.3	Confident	72.8	Confident	55 Å²	55	95.1 Å²	95.1	21%	0.208	48%	0.483	C	S	.	.	H	α-helix	trans	-68.7	-43.2	167.2	-180	89.5	0	0	0	112.5	C1064 L1068 D1076 H1078 K1083 L1084	C1064-W1080 HydrophobicContact CB-CZ2 4.15Å; C1064-W1080 PolarHBondContact O-NE1 3.44Å; L1068-W1080 HydrophobicContact CB-CZ2 3.84Å; L1068-W1080 HydrophobicContact CD1-CD2 4.12Å; L1068-W1080 HydrophobicContact CD1-CE3 4.25Å; L1068-W1080 HydrophobicContact CD1-CH2 4.28Å; L1068-W1080 HydrophobicContact CD1-CZ2 4.13Å; L1068-W1080 HydrophobicContact CD1-CZ3 4.34Å; L1068-W1080 HydrophobicContact CD2-CH2 4.03Å; L1068-W1080 HydrophobicContact CD2-CZ2 3.9Å; L1068-W1080 HydrophobicContact CG-CZ2 4.18Å; D1076-W1080 VanDerWaalsContact O-CB 3.28Å; D1076-W1080 WeakPolarHBondContact O-CB 3.34Å; D1076-W1080 PolarHBondContact O-N 3.11Å; H1078-W1080 PolarHBondContact O-N 3.41Å; W1080-K1083 WeakPolarHBondContact O-CB 3.12Å; W1080-K1083 PolarHBondContact O-N 2.95Å; W1080-L1084 HydrophobicContact CD2-CD1 4.49Å; W1080-L1084 HydrophobicContact CE3-CD1 4.36Å; W1080-L1084 HydrophobicContact CH2-CD1 3.43Å; W1080-L1084 VanDerWaalsContact CH2-CD1 3.43Å; W1080-L1084 HydrophobicContact CZ2-CD1 3.57Å; W1080-L1084 HydrophobicContact CZ3-CD1 3.85Å; W1080-L1084 PolarHBondContact O-N 3.19Å; W1080-L1084 VanDerWaalsContact O-N 3.16Å
1081	A	78.4	Confident	70.7	Confident	34 Å²	34	95 Å²	95	28%	0.281	48%	0.482	S	S	.	.	H	α-helix	trans	-65.5	-44.3	175.6	0	0	0	0	0	112	L1077 H1078 K1083 L1084 E1085	L1077-A1081 WeakPolarHBondContact O-CB 3.4Å; L1077-A1081 PolarHBondContact O-N 3.47Å; H1078-A1081 WeakPolarHBondContact O-CA 3.33Å; H1078-A1081 WeakPolarHBondContact O-CB 3.49Å; H1078-A1081 PolarHBondContact O-N 3.25Å; A1081-K1083 VanDerWaalsContact C-N 3.3Å; A1081-K1083 PolarHBondContact O-N 2.92Å; A1081-L1084 WeakPolarHBondContact O-CA 3.17Å; A1081-L1084 WeakPolarHBondContact O-CB 3.22Å; A1081-L1084 PolarHBondContact O-N 3.22Å; A1081-E1085 PolarHBondContact O-N 3.26Å
1082	D	76.6	Confident	68	Low	88 Å²	88	97.8 Å²	97.8	47%	0.471	50%	0.503	S	S	.	.	H	α-helix	trans	-58.3	-41.1	177.5	-60	-26.2	0	0	0	111.5	H1078 M1086	H1078-D1082 PolarHBondContact O-N 3.25Å; D1082-M1086 WeakPolarHBondContact O-CB 3.4Å; D1082-M1086 WeakPolarHBondContact O-CG 3.45Å; D1082-M1086 PolarHBondContact O-N 2.86Å; D1082-M1086 VanDerWaalsContact O-N 3.13Å
1083	K	72.6	Confident	65.1	Low	125 Å²	125	94.5 Å²	94.5	54%	0.543	49%	0.491	S	S	.	.	H	α-helix	trans	-59.5	-44.2	171	-87.2	-178.3	172.4	-170.9	0	111.9	D1067 T1079 W1080 A1081 M1086 E1087	D1067-K1083 IonicContact OD2-NZ 3.78Å; D1067-K1083 PolarHBondContact OD2-NZ 3Å; T1079-K1083 WeakPolarHBondContact O-CG 3.3Å; T1079-K1083 PolarHBondContact O-N 3.47Å; W1080-K1083 WeakPolarHBondContact O-CB 3.12Å; W1080-K1083 PolarHBondContact O-N 2.95Å; A1081-K1083 VanDerWaalsContact C-N 3.3Å; A1081-K1083 PolarHBondContact O-N 2.92Å; K1083-M1086 PolarHBondContact O-N 3.45Å; K1083-E1087 PolarHBondContact O-N 3.4Å
1084	L	71.7	Confident	62.5	Low	44 Å²	44	97.8 Å²	97.8	23%	0.23	51%	0.511	C	S	.	.	H	α-helix	trans	-70.7	-43.2	-172.6	-146.6	160.6	0	0	0	110.8	C1064 W1080 A1081 E1087 E1088	C1064-L1084 HydrophobicContact CB-CD1 4.37Å; W1080-L1084 HydrophobicContact CD2-CD1 4.49Å; W1080-L1084 HydrophobicContact CE3-CD1 4.36Å; W1080-L1084 HydrophobicContact CH2-CD1 3.43Å; W1080-L1084 VanDerWaalsContact CH2-CD1 3.43Å; W1080-L1084 HydrophobicContact CZ2-CD1 3.57Å; W1080-L1084 HydrophobicContact CZ3-CD1 3.85Å; W1080-L1084 PolarHBondContact O-N 3.19Å; W1080-L1084 VanDerWaalsContact O-N 3.16Å; A1081-L1084 WeakPolarHBondContact O-CA 3.17Å; A1081-L1084 WeakPolarHBondContact O-CB 3.22Å; A1081-L1084 PolarHBondContact O-N 3.22Å; L1084-E1087 PolarHBondContact O-N 3.42Å; L1084-E1088 HydrophobicContact CD2-CG 4.11Å; L1084-E1088 PolarHBondContact O-N 3.07Å
1085	E	65.8	Low	59.9	Low	126 Å²	126	104 Å²	104	59%	0.589	53%	0.532	S	S	*	.	H	α-helix	trans	-61.6	-44.8	172.1	-68.8	-169.8	175.8	0	0	111.7	A1081 E1087 E1088 I1089	A1081-E1085 PolarHBondContact O-N 3.26Å; E1085-E1087 VanDerWaalsContact C-N 3.26Å; E1085-E1087 PolarHBondContact O-N 2.93Å; E1085-E1088 PolarHBondContact O-N 3.36Å; E1085-I1089 WeakPolarHBondContact O-CB 3.22Å; E1085-I1089 WeakPolarHBondContact O-CD1 3.43Å; E1085-I1089 WeakPolarHBondContact O-CG1 3.37Å; E1085-I1089 PolarHBondContact O-N 3.31Å
1086	M	61.5	Low	58.9	Low	133 Å²	133	100.8 Å²	100.8	66%	0.655	52%	0.522	S	S	*	.	H	α-helix	trans	-57.4	-38.1	174.8	-78.9	-77.7	170.1	0	0	112.8	D1082 K1083 Q1090	D1082-M1086 WeakPolarHBondContact O-CB 3.4Å; D1082-M1086 WeakPolarHBondContact O-CG 3.45Å; D1082-M1086 PolarHBondContact O-N 2.86Å; D1082-M1086 VanDerWaalsContact O-N 3.13Å; K1083-M1086 PolarHBondContact O-N 3.45Å; M1086-Q1090 WeakPolarHBondContact O-CG 3.47Å; M1086-Q1090 PolarHBondContact O-N 2.97Å
1087	E	59	Low	57.8	Low	72 Å²	72	102.1 Å²	102.1	34%	0.336	53%	0.528	S	S	.	.	H	α-helix	trans	-75	-34.3	176.9	-79.1	-133.4	153.4	0	0	114.2	K1060 K1083 L1084 E1085 T1091	K1060-E1087 IonicContact NZ-OE2 2.65Å; K1060-E1087 PolarHBondContact NZ-OE2 3.01Å; K1083-E1087 PolarHBondContact O-N 3.4Å; L1084-E1087 PolarHBondContact O-N 3.42Å; E1085-E1087 VanDerWaalsContact C-N 3.26Å; E1085-E1087 PolarHBondContact O-N 2.93Å; E1087-T1091 PolarHBondContact O-N 3.4Å; E1087-T1091 PolarHBondContact O-OG1 2.65Å
1088	E	53.1	Low	56.3	Low	120 Å²	120	103.1 Å²	103.1	56%	0.561	53%	0.533	S	S	*	.	H	α-helix	trans	-73.8	-38.7	177.1	-73.9	-165.9	156.8	0	0	111.9	L1084 E1085 Q1090 T1091 S1092	L1084-E1088 HydrophobicContact CD2-CG 4.11Å; L1084-E1088 PolarHBondContact O-N 3.07Å; E1085-E1088 PolarHBondContact O-N 3.36Å; E1088-Q1090 VanDerWaalsContact C-N 3.33Å; E1088-Q1090 PolarHBondContact O-N 3.03Å; E1088-T1091 WeakPolarHBondContact CA-OG1 2.97Å; E1088-T1091 PolarHBondContact O-N 2.75Å; E1088-T1091 PolarHBondContact O-OG1 3.33Å; E1088-S1092 PolarHBondContact O-N 3.36Å; E1088-S1092 VanDerWaalsContact O-N 3.13Å; E1088-S1092 PolarHBondContact O-OG 2.82Å
1089	I	43.5	Very low	54.9	Low	97 Å²	97	102.2 Å²	102.2	50%	0.497	53%	0.533	S	S	.	.	H	α-helix	trans	-60.2	-42.6	173.7	-67.7	164.8	0	0	0	110.5	E1085 T1091 S1092	E1085-I1089 WeakPolarHBondContact O-CB 3.22Å; E1085-I1089 WeakPolarHBondContact O-CD1 3.43Å; E1085-I1089 WeakPolarHBondContact O-CG1 3.37Å; E1085-I1089 PolarHBondContact O-N 3.31Å; I1089-T1091 PolarHBondContact O-N 2.92Å; I1089-S1092 WeakPolarHBondContact CA-OG 3.41Å; I1089-S1092 PolarHBondContact O-N 2.93Å; I1089-S1092 PolarHBondContact O-OG 2.94Å
1090	Q	41.4	Very low	53.4	Low	115 Å²	115	103.3 Å²	103.3	54%	0.537	53%	0.533	S	S	.	.	H	α-helix	trans	-66	-17.8	174.5	-77.3	-171.6	3.3	0	0	114.5	M1086 E1088	M1086-Q1090 WeakPolarHBondContact O-CG 3.47Å; M1086-Q1090 PolarHBondContact O-N 2.97Å; E1088-Q1090 VanDerWaalsContact C-N 3.33Å; E1088-Q1090 PolarHBondContact O-N 3.03Å
1091	T	40.1	Very low	51.5	Low	96 Å²	96	106.5 Å²	106.5	59%	0.589	56%	0.555	S	S	*	*	H	α-helix	trans	-100	-6	177.2	52.8	0	0	0	0	114.8	E1087 E1088 I1089	E1087-T1091 PolarHBondContact O-N 3.4Å; E1087-T1091 PolarHBondContact O-OG1 2.65Å; E1088-T1091 WeakPolarHBondContact CA-OG1 2.97Å; E1088-T1091 PolarHBondContact O-N 2.75Å; E1088-T1091 PolarHBondContact O-OG1 3.33Å; I1089-T1091 PolarHBondContact O-N 2.92Å
1092	S	27	Very low	49.6	Very low	89 Å²	89	111.7 Å²	111.7	62%	0.622	57%	0.574	S	S	*	*	H	α-helix	trans	-106.7	-10.1	-177.9	45.9	0	0	0	0	114	E1088 I1089	E1088-S1092 PolarHBondContact O-N 3.36Å; E1088-S1092 VanDerWaalsContact O-N 3.13Å; E1088-S1092 PolarHBondContact O-OG 2.82Å; I1089-S1092 WeakPolarHBondContact CA-OG 3.41Å; I1089-S1092 PolarHBondContact O-N 2.93Å; I1089-S1092 PolarHBondContact O-OG 2.94Å
1093	L	22.9	Very low	47.5	Very low	100 Å²	100	113.5 Å²	113.5	52%	0.524	58%	0.582	S	S	.	*	S	Bend	trans	-76.9	128.2	167.3	-77.3	163.9	0	0	0	111.1	H1095	L1093-H1095 PolarHBondContact O-N 2.98Å
1094	P	30.3	Very low	45.4	Very low	121 Å²	121	112.6 Å²	112.6	79%	0.786	59%	0.586	S	S	*	*			trans	-73.5	121.8	167.3	29.8	-31.6	0	0	0	110.2
1095	H	28.9	Very low	43	Very low	238 Å²	238	118.8 Å²	118.8	100%	1.102	62%	0.618	S	S	*	*			trans	-134.9	0	174.6	-76.7	-37.4	0	0	0	109.3	L1093	L1093-H1095 PolarHBondContact O-N 2.98Å

Retrieved 1,095 of 1,095 residues in 286.6 ms (Link to these results)

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