A0A096MRQ3_PAPAN Loading...

Probable ATP-dependent RNA helicase DDX23

Involved in pre-mRNA splicing and its phosphorylated form (by SRPK2) is required for spliceosomal B complex formation. Independently of its spliceosome formation function, required for the suppression of incorrect R-loops formed during transcription; R-loops are composed of a DNA:RNA hybrid and the associated non-template single-stranded DNA.

AlphaFold DB (A0A0D9R1P7), UniProt , Accession A0A096MRQ3, Species PAPAN (Papio anubis, Olive baboon), Gene DDX23, Length 820 aa.

						>A0A096MRQ3_PAPAN|A0A096MRQ3|DDX23
MAGELVDKKDRDASPSKEERKRSRTPDRERDRDRDRKSSPSKDRKRHRSRDRRRGGSRSRSRSRSKSAERERRHKERERDKERDRNKKDRDRDKDGHRRDKDRKRSSLSPGRGKDFKSRKDRDSKKDEEDEHGDKKPKAQPLSLEELLAKKKAEEEAEAKPKFLSKAEREAEALKRRQQEVEERQRMLEEERKKRKQFQDLGRKMLEDPQERERRERRERMERETNGNEDEEGRQKIREEKDKSKELHAIKERYLGGIKKRRRTRHLNDRKFVFEWDASEDTSIDYNPLYKERHQVQLLGRGFIAGIDLKQQKREQSRFYGDLMEKRRTLEEKEQEEARLRKLRKKEAKQRWDDRHWSQKKLDEMTDRDWRIFREDYSITTKGGKIPNPIRSWKDSSLPPHILEVIDKCGYKEPTPIQRQAIPIGLQNRDIIGVAETGSGKTAAFLIPLLVWITTLPKIDRIEESDQGPYAIILAPTRELAQQIEEETIKFGKPLGIRTVAVIGGISREDQGFRLRMGCEIVIATPGRLIDVLENRYLVLSRCTYVVLDEADRMIDMGFEPDVQKILEHMPVSNQKPDTDEAEDPEKMLANFESGKHKYRQTVMFTATMPPAVERLARSYLRRPAVVYIGSAGKPHERVEQKVFLMSESEKRKKLLAILEQGFDPPIIIFVNQKKGCDVLAKSLEKMGYNACTLHGGKGQEQREFALSNLKAGAKDILVATDVAGRGIDIQDVSMVVNYDMAKNIEDYIHRIGRTGRAGKSGVAITFLTKEDSAVFYELKQAILESPVSSCPPELANHPDAQHKPGTILTKKRREETIFA
					

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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	39.9	Very low	36	Very low	238 Å²	238	152.3 Å²	152.3	100%	1.172	80%	0.802	S	S	*	*				0	109	0	-48.7	-179.1	-161.9	0	0	104.8
2	A	35	Very low	35.5	Very low	107 Å²	107	151.7 Å²	151.7	88%	0.884	80%	0.8	S	S	*	*			cis	56.1	126.2	43.4	0	0	0	0	0	110.6
3	G	33.6	Very low	35.1	Very low	73 Å²	73	147.5 Å²	147.5	75%	0.753	80%	0.8	S	S	*	*			cis	-154.8	-155.4	-2.6	0	0	0	0	0	105.6
4	E	37.6	Very low	35.1	Very low	187 Å²	187	145 Å²	145	87%	0.874	80%	0.799	S	S	*	*			cis	-147	157.2	-2.9	-59.6	174.2	119.8	0	0	105
5	L	39.2	Very low	35.7	Very low	161 Å²	161	144.2 Å²	144.2	84%	0.843	80%	0.804	S	S	*	*			cis	68.8	90.4	35.8	-82.8	176.5	0	0	0	116.8
6	V	38.4	Very low	35.5	Very low	148 Å²	148	141.7 Å²	141.7	90%	0.897	80%	0.799	S	S	*	*			trans	-137.8	141	145.3	-179.9	0	0	0	0	109.3
7	D	38.7	Very low	35.3	Very low	118 Å²	118	145.1 Å²	145.1	63%	0.631	80%	0.803	S	S	*	*			trans	-123.9	155.4	-173.7	-174.8	15.1	0	0	0	111
8	K	34.5	Very low	35	Very low	202 Å²	202	146.6 Å²	146.6	88%	0.878	80%	0.803	S	S	*	*			trans	179	103.1	164.1	-105.3	162.4	-175	177.3	0	109
9	K	33.6	Very low	34.8	Very low	155 Å²	155	144.4 Å²	144.4	67%	0.674	79%	0.786	S	S	*	*				83.7	130	50.5	-84.3	-157.9	151.6	-159.6	0	118.3
10	D	33.2	Very low	34.5	Very low	89 Å²	89	147.8 Å²	147.8	48%	0.476	79%	0.787	S	S	.	*			trans	86.5	103.9	137.6	-76.6	28.9	0	0	0	121.8
11	R	32	Very low	34.4	Very low	197 Å²	197	148.9 Å²	148.9	74%	0.743	79%	0.785	S	S	*	*				109.7	122.3	119.7	-71.4	174.5	-151.7	-142.7	1.3	122.2
12	D	30	Very low	33.9	Very low	145 Å²	145	148.9 Å²	148.9	78%	0.775	77%	0.772	S	S	*	*				44.9	125.5	120.6	-44	-22.8	0	0	0	121.2
13	A	30.6	Very low	33.7	Very low	97 Å²	97	148.4 Å²	148.4	80%	0.802	76%	0.762	S	S	*	*				-171.7	141.2	95.7	0	0	0	0	0	113.2
14	S	34.5	Very low	33.4	Very low	113 Å²	113	156.3 Å²	156.3	79%	0.79	77%	0.77	S	S	*	*			trans	-79.9	169.9	162.1	-52.6	0	0	0	0	110.8
15	P	45.2	Very low	33.5	Very low	133 Å²	133	153.6 Å²	153.6	86%	0.864	77%	0.766	S	S	*	*				-138.7	161.8	111.3	37.8	-28.1	0	0	0	114.7
16	S	32.3	Very low	33.7	Very low	104 Å²	104	151.4 Å²	151.4	73%	0.727	76%	0.761	S	S	*	*			trans	-114.5	161.8	-178.6	52.9	0	0	0	0	113.1
17	K	31.2	Very low	33.3	Very low	199 Å²	199	150 Å²	150	87%	0.865	75%	0.748	S	S	*	*			trans	-165.3	125.5	151.3	-104.3	161	-174.8	177.2	0	106.6
18	E	30.8	Very low	33	Very low	172 Å²	172	154.3 Å²	154.3	80%	0.804	76%	0.756	S	S	*	*			cis	62.4	131.2	45.4	-72.1	-163.3	154.5	0	0	114
19	E	30.5	Very low	32.9	Very low	105 Å²	105	151.3 Å²	151.3	49%	0.491	75%	0.745	S	S	.	*			cis	-156.3	179.8	2.8	-153.6	-138	153.8	0	0	111.4	K21	E19-K21 IonicContact OE1-NZ 3.13Å; E19-K21 PolarHBondContact OE1-NZ 3.21Å
20	R	29.2	Very low	32.8	Very low	212 Å²	212	152.7 Å²	152.7	80%	0.8	75%	0.746	S	S	*	*			trans	101.6	84.2	153.2	-67.5	164.2	-169.6	-158.3	-2.3	122.2
21	K	32	Very low	32.7	Very low	172 Å²	172	153.3 Å²	153.3	75%	0.748	75%	0.749	S	S	*	*				1.2	136.3	125.2	-54.1	155.2	-173.6	138.6	0	117.9	E19	E19-K21 IonicContact OE1-NZ 3.13Å; E19-K21 PolarHBondContact OE1-NZ 3.21Å
22	R	29.1	Very low	32.7	Very low	237 Å²	237	152.9 Å²	152.9	89%	0.894	75%	0.748	S	S	*	*				-176.4	112.3	118.1	-102.1	169.7	-174.5	-170.2	1.9	115.5
23	S	30.7	Very low	32.7	Very low	97 Å²	97	153.7 Å²	153.7	68%	0.678	75%	0.752	S	S	*	*			trans	31.9	146.9	131.1	67	0	0	0	0	124.3
24	R	29.1	Very low	32.8	Very low	240 Å²	240	159.3 Å²	159.3	91%	0.906	75%	0.752	S	S	*	*			trans	94	111.7	152.2	-73.3	179	176.8	168.8	-2	120.1
25	T	39.4	Very low	32.7	Very low	129 Å²	129	159.7 Å²	159.7	79%	0.791	75%	0.746	S	S	*	*			trans	-65.6	161.3	130.8	41.6	0	0	0	0	110
26	P	43.4	Very low	32	Very low	116 Å²	116	161.9 Å²	161.9	75%	0.753	74%	0.737	S	S	*	*			cis	-149.6	-178.1	39.5	45.1	-25	0	0	0	119.1
27	D	30.3	Very low	31.8	Very low	117 Å²	117	166.1 Å²	166.1	63%	0.626	74%	0.742	S	S	*	*			trans	59.2	128.2	145.5	-110.6	-19.3	0	0	0	123.4
28	R	31.1	Very low	31.7	Very low	209 Å²	209	162.2 Å²	162.2	79%	0.789	74%	0.74	S	S	*	*			trans	63.7	144	147.3	-63.9	158.1	-159.4	-151.8	4.8	118.3
29	E	32.2	Very low	31.9	Very low	139 Å²	139	159.2 Å²	159.2	65%	0.65	74%	0.738	S	S	*	*				-163.9	170.3	63.2	-81.4	-162.1	146.7	0	0	109.6
30	R	31.4	Very low	32.5	Very low	185 Å²	185	159.5 Å²	159.5	70%	0.698	75%	0.749	S	S	*	*			cis	-153	153.7	-6.5	-120.7	173.7	-155.1	174.3	21.4	109.1
31	D	32.7	Very low	32.6	Very low	101 Å²	101	154.1 Å²	154.1	54%	0.54	74%	0.744	S	S	.	*				21.4	147.4	122.5	-64.9	-38.4	0	0	0	120.4
32	R	31.1	Very low	32.5	Very low	189 Å²	189	155.2 Å²	155.2	71%	0.713	75%	0.749	S	S	*	*			cis	-165.6	156.2	-3.3	-125.8	168	-116.8	169.1	9.7	109.2
33	D	30.4	Very low	32.7	Very low	161 Å²	161	148 Å²	148	86%	0.861	73%	0.727	S	S	*	*				-157	152.1	110.2	-116	-23.4	0	0	0	113.5
34	R	32.3	Very low	32.9	Very low	215 Å²	215	153.1 Å²	153.1	81%	0.811	73%	0.732	S	S	*	*			trans	-153	132.8	-179	-89.4	-176.4	172.2	173.9	-1.6	109
35	D	31.5	Very low	33.1	Very low	121 Å²	121	149.9 Å²	149.9	65%	0.647	73%	0.725	S	S	*	*			trans	175.3	159.7	132.6	-99.4	5.2	0	0	0	110.5
36	R	30.9	Very low	32.7	Very low	179 Å²	179	155.5 Å²	155.5	68%	0.675	73%	0.731	S	S	*	*			cis	-171.2	144.4	-34.3	-128.3	-177.3	-171.4	132.6	-12.6	109.6
37	K	28.6	Very low	32.1	Very low	193 Å²	193	158.2 Å²	158.2	84%	0.839	73%	0.734	S	S	*	*			trans	64.9	165.9	164	-52.5	162.6	175.8	172	0	113.4
38	S	29.5	Very low	32	Very low	117 Å²	117	164.2 Å²	164.2	82%	0.818	75%	0.747	S	S	*	*			cis	-141	151.9	-1.1	44.9	0	0	0	0	112
39	S	35.1	Very low	31.9	Very low	110 Å²	110	159 Å²	159	77%	0.769	74%	0.743	S	S	*	*			trans	-95.4	163.7	157.7	53.9	0	0	0	0	108.7
40	P	42.8	Very low	31.7	Very low	111 Å²	111	163.6 Å²	163.6	72%	0.721	75%	0.754	S	S	*	*				-157.6	-165.6	60.5	42.1	-18.5	0	0	0	117.9
41	S	30.8	Very low	31.7	Very low	99 Å²	99	160 Å²	160	69%	0.692	75%	0.749	S	S	*	*			trans	70.1	126	158.8	33.1	0	0	0	0	119.5
42	K	30.4	Very low	31.6	Very low	195 Å²	195	165.4 Å²	165.4	85%	0.848	76%	0.762	S	S	*	*				62.4	138.8	84.1	-62.5	-179.8	-179.8	176.3	0	112.7
43	D	33.1	Very low	31.6	Very low	84 Å²	84	167.8 Å²	167.8	45%	0.449	77%	0.771	S	S	.	*			cis	-173.1	141.5	49.1	-165.8	44.4	0	0	0	115.3	K45	D43-K45 WeakPolarHBondContact O-CE 3.42Å; D43-K45 PolarHBondContact O-NZ 3.35Å
44	R	34	Very low	31.5	Very low	206 Å²	206	172.4 Å²	172.4	78%	0.777	78%	0.776	S	S	*	*			trans	54.1	165.9	163	-60.8	164.2	-173.5	136.6	-11.5	116.1
45	K	33.4	Very low	31.2	Very low	172 Å²	172	166 Å²	166	75%	0.748	78%	0.777	S	S	*	*			cis	-155.9	167.8	30.2	-37.3	80.6	-148.6	142.3	0	106.7	D43	D43-K45 WeakPolarHBondContact O-CE 3.42Å; D43-K45 PolarHBondContact O-NZ 3.35Å
46	R	31.1	Very low	30.9	Very low	246 Å²	246	163.6 Å²	163.6	93%	0.928	78%	0.781	S	S	*	*			cis	-158.4	174.3	-2.6	-137	175	-170.4	179.1	3.4	110.1
47	H	31.1	Very low	30.8	Very low	174 Å²	174	160 Å²	160	81%	0.806	78%	0.784	S	S	*	*			trans	-71.9	171.8	174	-81.8	-71.6	0	0	0	115.6
48	R	27.9	Very low	30.7	Very low	243 Å²	243	162.2 Å²	162.2	92%	0.917	79%	0.787	S	S	*	*			cis	-160.8	-174.6	45.8	-138.3	161.7	-156.1	-178	4.1	114.3
49	S	29.1	Very low	30.7	Very low	100 Å²	100	161.4 Å²	161.4	70%	0.699	78%	0.781	S	S	*	*			trans	-136.9	174.6	-160.8	56.5	0	0	0	0	115.3
50	R	29.2	Very low	30.4	Very low	234 Å²	234	166.5 Å²	166.5	88%	0.883	78%	0.783	S	S	*	*			trans	115.4	153.4	160.8	-71.2	-174.3	167.6	166.9	-2.6	116.7
51	D	31.4	Very low	29.7	Very low	110 Å²	110	166 Å²	166	59%	0.588	78%	0.783	S	S	*	*			cis	-173.8	168.9	-28.1	-161.3	-0.7	0	0	0	110.5
52	R	30.8	Very low	29.6	Very low	215 Å²	215	172.4 Å²	172.4	81%	0.811	79%	0.792	S	S	*	*			trans	81.8	167.3	152.6	-79.8	155.4	-148.1	-127.2	-8.8	122.9
53	R	30.1	Very low	29.6	Very low	239 Å²	239	167.6 Å²	167.6	90%	0.902	78%	0.783	S	S	*	*			trans	-129.4	176.4	-165.9	-63	175	169.3	179.5	-4.4	111
54	R	29.6	Very low	29.4	Very low	257 Å²	257	175.1 Å²	175.1	97%	0.97	80%	0.804	S	S	*	*			trans	76.9	148.1	178.5	-54	174.9	171.5	174.6	-4	112.9
55	G	25.6	Very low	29.3	Very low	81 Å²	81	170.2 Å²	170.2	84%	0.835	80%	0.802	S	S	*	*			cis	133.1	124.9	-9.4	0	0	0	0	0	113.8
56	G	24.7	Very low	29.1	Very low	71 Å²	71	171.1 Å²	171.1	73%	0.732	81%	0.806	S	S	*	*			trans	114.2	94.8	161.7	0	0	0	0	0	118.6
57	S	28.6	Very low	29.1	Very low	104 Å²	104	164.3 Å²	164.3	73%	0.727	80%	0.796	S	S	*	*			trans	49.7	151.3	131.8	71.2	0	0	0	0	124.6
58	R	27.4	Very low	29	Very low	239 Å²	239	160.6 Å²	160.6	90%	0.902	80%	0.795	S	S	*	*			trans	73.5	147.6	165.3	-59.6	168.7	175.9	171.1	-2.1	114.9
59	S	28.9	Very low	29.1	Very low	99 Å²	99	156.6 Å²	156.6	69%	0.692	79%	0.787	S	S	*	*			cis	-161.7	177.3	-17	55.8	0	0	0	0	107.6
60	R	28.8	Very low	29.1	Very low	218 Å²	218	161.5 Å²	161.5	82%	0.823	79%	0.79	S	S	*	*			cis	-178	145.9	37.5	-146.2	174.2	-167	167.3	1.8	110.3
61	S	28.8	Very low	29.4	Very low	101 Å²	101	157.9 Å²	157.9	71%	0.706	78%	0.783	S	S	*	*			trans	51.4	152.7	145.9	51.8	0	0	0	0	122.3
62	R	28.2	Very low	29.4	Very low	233 Å²	233	164 Å²	164	88%	0.879	80%	0.798	S	S	*	*			cis	-172.3	172.1	-5.7	-109.1	-168.8	168.3	176	-4.4	106.7
63	S	30.4	Very low	29.4	Very low	94 Å²	94	164.6 Å²	164.6	66%	0.657	80%	0.8	S	S	*	*			cis	-178.6	112.1	-44.4	56	0	0	0	0	111
64	R	29.3	Very low	29.6	Very low	241 Å²	241	162.4 Å²	162.4	91%	0.909	80%	0.8	S	S	*	*			trans	-143.2	107.5	166.6	-83.9	-174.9	174.7	171.1	-2	107.9
65	S	31.1	Very low	29.6	Very low	103 Å²	103	158.4 Å²	158.4	72%	0.72	79%	0.789	S	S	*	*				68.1	131.2	85.8	70.7	0	0	0	0	113.4
66	K	29.8	Very low	29.7	Very low	192 Å²	192	161.9 Å²	161.9	84%	0.835	78%	0.784	S	S	*	*			cis	-160.9	154.8	22.3	-148.3	178.6	-175.9	-177.1	0	112.5
67	S	29.8	Very low	30	Very low	103 Å²	103	169.1 Å²	169.1	72%	0.72	79%	0.789	S	S	*	*			trans	57.2	125.3	149.6	52.8	0	0	0	0	124.4
68	A	29.7	Very low	30	Very low	95 Å²	95	170.3 Å²	170.3	79%	0.785	78%	0.783	S	S	*	*			trans	81.2	110.2	130.5	0	0	0	0	0	123.2
69	E	29	Very low	30	Very low	159 Å²	159	167.8 Å²	167.8	74%	0.743	77%	0.774	S	S	*	*				48.4	116.7	122.1	-149	-163.8	-97.9	0	0	121.2
70	R	29.5	Very low	30.2	Very low	203 Å²	203	167.7 Å²	167.7	77%	0.766	77%	0.766	S	S	*	*				179.4	146.8	106.2	-97	176.5	177.4	-168	-11.1	115.5
71	E	35	Very low	30.4	Very low	159 Å²	159	165.4 Å²	165.4	74%	0.743	76%	0.762	S	S	*	*			trans	-65.1	156.5	158.6	-50.5	174.1	103.9	0	0	110.8
72	R	32	Very low	30.5	Very low	237 Å²	237	167.1 Å²	167.1	89%	0.894	76%	0.758	S	S	*	*			trans	-139.5	130.5	145.5	-75.5	-159	167.8	176.7	-3.2	112.7
73	R	31.1	Very low	30.7	Very low	228 Å²	228	164.1 Å²	164.1	86%	0.86	75%	0.747	S	S	*	*			trans	-80.7	155.1	168.6	-62.4	175.7	179.1	-179.8	-2.4	110
74	H	33.8	Very low	30.9	Very low	193 Å²	193	164 Å²	164	89%	0.894	74%	0.739	S	S	*	*			trans	-79.6	130.3	169.4	-116.2	-87.5	0	0	0	111.1
75	K	29.7	Very low	30.9	Very low	173 Å²	173	161.1 Å²	161.1	75%	0.752	73%	0.728	S	S	*	*			trans	-169.3	155.8	147	-122.7	178.3	166.8	-140.2	0	115.4
76	E	28.2	Very low	30.9	Very low	154 Å²	154	163.2 Å²	163.2	72%	0.72	73%	0.731	S	S	*	*			trans	75.6	173	152.9	-84.4	151.1	-147.2	0	0	121.2
77	R	30.6	Very low	30.9	Very low	224 Å²	224	162.3 Å²	162.3	85%	0.845	73%	0.727	S	S	*	*			trans	-130.9	168.6	-145.8	-61.2	171.4	166.9	171	-5.3	112.1
78	E	28.7	Very low	31	Very low	129 Å²	129	165.1 Å²	165.1	60%	0.603	73%	0.727	S	S	*	*			trans	124.8	134.9	136.3	-65	-129.3	128.6	0	0	116.2
79	R	28.6	Very low	31.3	Very low	185 Å²	185	165 Å²	165	70%	0.698	71%	0.713	S	S	*	*			trans	53.3	155.8	133.1	-66.3	-171.9	-139.2	-120.2	-3.5	120.5
80	D	31.4	Very low	31.3	Very low	98 Å²	98	167.1 Å²	167.1	52%	0.524	71%	0.714	S	S	.	*			cis	-160.2	155.9	1	-126.7	-12.4	0	0	0	111.9
81	K	33.7	Very low	31.5	Very low	170 Å²	170	162.3 Å²	162.3	74%	0.739	70%	0.704	S	S	*	*			trans	65.1	165.8	140.9	-77.7	165.2	-169	144.7	0	121.7
82	E	31	Very low	31.2	Very low	137 Å²	137	164 Å²	164	64%	0.64	70%	0.703	S	S	*	*			cis	-142	174.5	7.9	-131.3	-158	149.8	0	0	109.8
83	R	31.7	Very low	31.2	Very low	169 Å²	169	157.6 Å²	157.6	64%	0.638	69%	0.687	S	S	*	*			cis	-152.7	-40	4.1	177.7	-177.7	-65.2	150	7.5	114.5
84	D	35.3	Very low	31.1	Very low	93 Å²	93	154.7 Å²	154.7	50%	0.497	68%	0.68	S	S	.	*				-128.3	161.2	-122.8	-106.8	-32.4	0	0	0	115.2
85	R	30.2	Very low	31	Very low	180 Å²	180	152 Å²	152	68%	0.679	67%	0.673	S	S	*	*			cis	-160.9	113.1	-7.9	-165.9	175.5	-66.6	166.7	6.7	113.7
86	N	30.5	Very low	30.9	Very low	146 Å²	146	147.3 Å²	147.3	78%	0.781	67%	0.673	S	S	*	*			trans	62.4	158.7	161.2	-69.8	-31.1	0	0	0	118.1
87	K	30.5	Very low	31	Very low	173 Å²	173	147.7 Å²	147.7	75%	0.752	68%	0.675	S	S	*	*			cis	-155	136.9	8.5	-142.4	175.2	-179.2	-179.2	0	112.3
88	K	31.8	Very low	31.1	Very low	162 Å²	162	147.1 Å²	147.1	70%	0.704	67%	0.672	S	S	*	*			trans	45	146.7	141.4	-72	-172.4	150.6	-88.8	0	123.1
89	D	34.2	Very low	31.2	Very low	94 Å²	94	153 Å²	153	50%	0.503	69%	0.689	S	S	.	*			cis	-119.4	-111.6	-11	-73.7	-55.9	0	0	0	110.5
90	R	29.1	Very low	31.4	Very low	202 Å²	202	151.4 Å²	151.4	76%	0.762	69%	0.694	S	S	*	*			cis	-160.2	156.9	-7.8	-167.2	139.9	-80.6	-89.1	-4.8	112.2
91	D	33.5	Very low	31.6	Very low	102 Å²	102	156.1 Å²	156.1	55%	0.545	71%	0.71	S	S	.	*			trans	-81.6	175.8	178.7	-48.1	-107.8	0	0	0	114.7
92	R	30.4	Very low	31.5	Very low	195 Å²	195	154.8 Å²	154.8	74%	0.736	71%	0.711	S	S	*	*			cis	-174.9	-169.6	-31.6	-94.8	-178	-68.5	122.2	-4.4	106.4
93	D	31.7	Very low	31.6	Very low	102 Å²	102	159.1 Å²	159.1	55%	0.545	72%	0.722	S	S	.	*			cis	-162.8	167.2	6.6	-137.8	-43.6	0	0	0	111.3
94	K	29.6	Very low	31.5	Very low	167 Å²	167	160.2 Å²	160.2	73%	0.726	73%	0.731	S	S	*	*			trans	59.9	166.4	157.1	-76.8	167.5	156.2	-99.8	0	119.6
95	D	29.9	Very low	31.2	Very low	137 Å²	137	166.8 Å²	166.8	73%	0.733	75%	0.749	S	S	*	*			cis	-155.9	173.1	-11.6	-117.7	-37.6	0	0	0	109.1
96	G	28.5	Very low	31.3	Very low	74 Å²	74	163.8 Å²	163.8	76%	0.763	76%	0.756	S	S	*	*			trans	117.2	99.3	144.6	0	0	0	0	0	121
97	H	30.6	Very low	31.3	Very low	163 Å²	163	161.4 Å²	161.4	76%	0.755	75%	0.75	S	S	*	*			trans	-39.2	152.8	172.4	-80	-68.9	0	0	0	122.2
98	R	32.8	Very low	31.3	Very low	211 Å²	211	160.7 Å²	160.7	80%	0.796	75%	0.754	S	S	*	*			trans	40.9	133.1	134.4	-61.1	174.4	177.6	163.9	-0.7	120.1
99	R	30.8	Very low	31.1	Very low	252 Å²	252	158.1 Å²	158.1	95%	0.951	76%	0.756	S	S	*	*			trans	-130.6	136.1	143.9	-80.4	-168.9	170.2	175.4	-2.2	112
100	D	32	Very low	31.8	Very low	152 Å²	152	159.9 Å²	159.9	81%	0.813	77%	0.773	S	S	*	*			trans	-88.2	171	177.7	-103.1	-65.8	0	0	0	112.6
101	K	35.9	Very low	31.8	Very low	198 Å²	198	154.1 Å²	154.1	86%	0.861	78%	0.776	S	S	*	*			trans	-72.9	148.9	167.1	-60	163.5	-177.8	165.6	0	109.7
102	D	31.6	Very low	31.7	Very low	142 Å²	142	161.8 Å²	161.8	76%	0.759	80%	0.797	S	S	*	*			trans	-150.7	162.4	130.3	-142.4	-23.2	0	0	0	112.6
103	R	33.6	Very low	31.7	Very low	228 Å²	228	156.5 Å²	156.5	86%	0.86	80%	0.804	S	S	*	*			trans	-139.7	119.8	-180	-89	-178.3	166.1	179.8	-3.6	110.8
104	K	29.7	Very low	31.6	Very low	191 Å²	191	160.1 Å²	160.1	83%	0.83	81%	0.814	S	S	*	*			trans	-165.5	164.9	157.5	-91.9	130.3	-179.6	174.2	0	109.6
105	R	29.3	Very low	31.7	Very low	232 Å²	232	158.2 Å²	158.2	88%	0.875	81%	0.812	S	S	*	*			cis	-173.2	164.9	-49.3	-142.4	-176.4	-177.8	-167.1	1.5	107.3
106	S	30.5	Very low	31.6	Very low	117 Å²	117	161.3 Å²	161.3	82%	0.818	82%	0.82	S	S	*	*			trans	73.9	157.1	169.8	87	0	0	0	0	115.6
107	S	30.4	Very low	31.6	Very low	96 Å²	96	167 Å²	167	67%	0.671	82%	0.823	S	S	*	*			cis	-154.9	142.8	7.5	52.1	0	0	0	0	115.2
108	L	30.4	Very low	31.5	Very low	158 Å²	158	164.1 Å²	164.1	83%	0.827	82%	0.822	S	S	*	*			trans	63	103.6	142.4	-61.4	166.9	0	0	0	123
109	S	28.7	Very low	31.3	Very low	108 Å²	108	165.7 Å²	165.7	76%	0.755	83%	0.827	S	S	*	*				21.4	165.6	113.4	-50.9	0	0	0	0	123.1
110	P	48.3	Very low	31.1	Very low	131 Å²	131	163 Å²	163	85%	0.851	82%	0.823	S	S	*	*			cis	-141.1	172.1	-39.3	39.9	-23.1	0	0	0	114.8
111	G	29.6	Very low	30.9	Very low	80 Å²	80	163.2 Å²	163.2	83%	0.825	82%	0.824	S	S	*	*			trans	-163	141.7	171.8	0	0	0	0	0	115.7
112	R	31	Very low	30.6	Very low	263 Å²	263	165 Å²	165	99%	0.992	83%	0.825	S	S	*	*			trans	-82.9	144.5	-176.6	-61.5	170.9	175.2	170	-3.3	112.6
113	G	30	Very low	30.5	Very low	84 Å²	84	164.6 Å²	164.6	87%	0.866	82%	0.823	S	S	*	*			trans	-172.2	141.7	168.4	0	0	0	0	0	111.6
114	K	31	Very low	30.3	Very low	178 Å²	178	157.6 Å²	157.6	77%	0.774	81%	0.809	S	S	*	*			trans	-115.2	155.7	-160.5	-140.8	176.9	158.9	-86.3	0	113.4
115	D	30.7	Very low	30.5	Very low	128 Å²	128	156.2 Å²	156.2	68%	0.684	80%	0.803	S	S	*	*			trans	77	145.6	155.1	-59	-36.1	0	0	0	121.4
116	F	28.1	Very low	30.6	Very low	201 Å²	201	151.4 Å²	151.4	88%	0.882	79%	0.789	S	S	*	*			trans	-80.3	140.7	-171.8	-89.3	-120	0	0	0	113.7
117	K	29.3	Very low	30.5	Very low	194 Å²	194	151.2 Å²	151.2	84%	0.843	78%	0.779	S	S	*	*				-172.8	156.6	97.5	-112.9	164.2	-173.2	170.9	0	115
118	S	27.3	Very low	30.6	Very low	103 Å²	103	153.1 Å²	153.1	72%	0.72	78%	0.777	S	S	*	*			trans	-50.9	138.7	175.4	54.2	0	0	0	0	116.3
119	R	28.3	Very low	30.5	Very low	243 Å²	243	153.2 Å²	153.2	92%	0.917	77%	0.773	S	S	*	*				-152.9	172.2	97.6	-110.8	177.2	-177.3	174	0.9	112
120	K	26.5	Very low	30.6	Very low	195 Å²	195	155.4 Å²	155.4	85%	0.848	78%	0.776	S	S	*	*			trans	-125.1	110.3	-169.9	169.5	-168.9	177.4	179.9	0	107.3
121	D	27.7	Very low	29.8	Very low	157 Å²	157	157 Å²	157	84%	0.84	77%	0.772	S	S	*	*			trans	-120.9	165.8	167.2	-85.2	-62.6	0	0	0	110.5
122	R	30.3	Very low	29.9	Very low	236 Å²	236	162.2 Å²	162.2	89%	0.891	78%	0.775	S	S	*	*			trans	-97.3	137.6	-173.9	-69.4	171.4	164.3	163.1	-7.8	110.5
123	D	29.4	Very low	29.9	Very low	133 Å²	133	153.4 Å²	153.4	71%	0.711	77%	0.765	S	S	*	*			trans	-61.2	133.8	148.6	-88.7	-35	0	0	0	108.4
124	S	28.9	Very low	30.2	Very low	82 Å²	82	156.9 Å²	156.9	57%	0.573	76%	0.764	S	S	*	*			cis	88.8	160.9	35.1	92.2	0	0	0	0	114.2
125	K	34	Very low	30.7	Very low	162 Å²	162	157.9 Å²	157.9	70%	0.704	77%	0.769	S	S	*	*			trans	78.5	151.2	176.8	-61.5	151.8	-175.5	163.5	0	116.3
126	K	31.8	Very low	31.1	Very low	131 Å²	131	161.3 Å²	161.3	57%	0.57	78%	0.777	S	S	*	*			cis	-140.3	151.4	2.6	-159.1	-162.3	175	-51.6	0	111.2	E128	K126-E128 WeakPolarHBondContact CD-OE1 3.32Å; K126-E128 VanDerWaalsContact CE-OE1 3.27Å; K126-E128 WeakPolarHBondContact CE-OE1 3.33Å; K126-E128 IonicContact NZ-OE1 3.91Å; K126-E128 PolarHBondContact NZ-OE1 3.39Å
127	D	28.9	Very low	31.8	Very low	113 Å²	113	157.4 Å²	157.4	60%	0.604	77%	0.772	S	S	*	*				-120.1	-74.9	-58.2	-68.9	-47.7	0	0	0	112.1
128	E	31.5	Very low	32.6	Very low	135 Å²	135	158.1 Å²	158.1	63%	0.631	78%	0.775	S	S	*	*			cis	-154.2	-173.1	-3.6	-122.3	145.5	-166.1	0	0	112.3	K126	K126-E128 WeakPolarHBondContact CD-OE1 3.32Å; K126-E128 VanDerWaalsContact CE-OE1 3.27Å; K126-E128 WeakPolarHBondContact CE-OE1 3.33Å; K126-E128 IonicContact NZ-OE1 3.91Å; K126-E128 PolarHBondContact NZ-OE1 3.39Å
129	E	28.7	Very low	33.5	Very low	161 Å²	161	157.9 Å²	157.9	75%	0.752	78%	0.78	S	S	*	*			trans	-73.2	158.5	-164	-74.9	132.7	-144.7	0	0	116
130	D	30.9	Very low	34.9	Very low	153 Å²	153	154.7 Å²	154.7	82%	0.818	78%	0.775	S	S	*	*			cis	-152.5	-179.1	41.3	-136.7	-29.4	0	0	0	115.6
131	E	31.8	Very low	36.3	Very low	166 Å²	166	151.4 Å²	151.4	78%	0.776	77%	0.774	S	S	*	*			trans	-74.1	143.4	-170.2	-59.7	-168.9	133.1	0	0	117.7
132	H	31.9	Very low	37.8	Very low	189 Å²	189	149.2 Å²	149.2	88%	0.875	76%	0.762	S	S	*	*				-166.6	148.2	114	-103.2	12.2	0	0	0	111.2
133	G	31.8	Very low	39.6	Very low	77 Å²	77	140.5 Å²	140.5	79%	0.794	74%	0.737	S	S	*	*			trans	-106.3	149.8	-166.4	0	0	0	0	0	115.4
134	D	34.3	Very low	41.1	Very low	158 Å²	158	140.9 Å²	140.9	85%	0.845	74%	0.738	S	S	*	*			trans	-150.9	153.8	152.5	-151.2	-13	0	0	0	112.1	K136	D134-K136 PolarHBondContact O-N 3.18Å
135	K	41.9	Very low	42.9	Very low	198 Å²	198	144.7 Å²	144.7	86%	0.861	75%	0.747	S	S	*	*			trans	-83.7	94.8	-172.1	-71.1	175.7	-179.4	168.9	0	111.9
136	K	39	Very low	44.4	Very low	200 Å²	200	141.7 Å²	141.7	87%	0.87	74%	0.735	S	S	*	*			trans	-70.8	132.3	171.6	-73.4	-176.5	177.2	175.1	0	112.3	D134	D134-K136 PolarHBondContact O-N 3.18Å
137	P	43.7	Very low	46.1	Very low	120 Å²	120	140.2 Å²	140.2	78%	0.779	73%	0.734	S	S	*	*			trans	-74.3	165	173.9	31.8	-35.5	0	0	0	112	A139	P137-A139 PolarHBondContact O-N 3.09Å
138	K	46.2	Very low	48.1	Very low	208 Å²	208	139.8 Å²	139.8	90%	0.904	73%	0.73	S	S	*	*			trans	-67.6	113.9	173.8	-67.8	179.4	179.3	177.5	0	110.4
139	A	46.3	Very low	49.9	Very low	99 Å²	99	136.2 Å²	136.2	82%	0.818	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-76.2	133.6	164.6	0	0	0	0	0	110.1	P137	P137-A139 PolarHBondContact O-N 3.09Å
140	Q	56.7	Low	52	Low	175 Å²	175	135 Å²	135	82%	0.818	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-79.1	153.9	167.2	-66.5	173.9	-4.5	0	0	109.3	L142	Q140-L142 PolarHBondContact O-N 3.15Å
141	P	57.2	Low	54.1	Low	126 Å²	126	133.7 Å²	133.7	82%	0.818	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-64	132.8	171.7	27.5	-33.6	0	0	0	110.3
142	L	58.8	Low	56.1	Low	111 Å²	111	132.6 Å²	132.6	58%	0.581	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-61.5	153.2	175	-70.2	161.9	0	0	0	111.2	Q140 E146	Q140-L142 PolarHBondContact O-N 3.15Å; L142-E146 WeakPolarHBondContact CD2-OE1 3.48Å
143	S	67.9	Low	57.8	Low	54 Å²	54	126.3 Å²	126.3	38%	0.378	68%	0.677	S	S	.	*	P	Polyproline II helix	trans	-72.3	160.4	-178.7	69.5	0	0	0	0	112.5	E145 E146 L147	S143-E145 PolarHBondContact O-N 2.69Å; S143-E146 WeakPolarHBondContact CB-OE2 3.23Å; S143-E146 PolarHBondContact N-OE2 3.25Å; S143-E146 PolarHBondContact O-N 3.05Å; S143-E146 WeakPolarHBondContact OG-CG 3.36Å; S143-E146 PolarHBondContact OG-OE2 3.24Å; S143-L147 PolarHBondContact O-N 2.94Å
144	L	60.4	Low	59.5	Low	141 Å²	141	128.5 Å²	128.5	74%	0.738	67%	0.666	S	S	*	*	H	α-helix	trans	-68.1	-25	-176.3	-159.9	125	0	0	0	112.7	L148	L144-L148 HydrophobicContact CD2-CD1 4.13Å; L144-L148 PolarHBondContact O-N 2.98Å
145	E	67.7	Low	61.2	Low	162 Å²	162	126.4 Å²	126.4	76%	0.757	65%	0.651	S	S	*	*	H	α-helix	trans	-73.8	-40.9	175.2	-65.1	-173.8	113	0	0	112.1	S143 L147 L148 A149	S143-E145 PolarHBondContact O-N 2.69Å; E145-L147 VanDerWaalsContact C-N 3.32Å; E145-L147 PolarHBondContact O-N 2.93Å; E145-L148 PolarHBondContact O-N 2.98Å; E145-L148 VanDerWaalsContact O-N 3.17Å; E145-A149 WeakPolarHBondContact O-CB 3.42Å; E145-A149 PolarHBondContact O-N 2.92Å
146	E	64.7	Low	62.4	Low	98 Å²	98	124.2 Å²	124.2	46%	0.458	64%	0.644	S	S	.	*	H	α-helix	trans	-63.2	-37.1	178.9	-70.9	167.6	106.3	0	0	112.3	L142 S143 A149 K150	L142-E146 WeakPolarHBondContact CD2-OE1 3.48Å; S143-E146 WeakPolarHBondContact CB-OE2 3.23Å; S143-E146 PolarHBondContact N-OE2 3.25Å; S143-E146 PolarHBondContact O-N 3.05Å; S143-E146 WeakPolarHBondContact OG-CG 3.36Å; S143-E146 PolarHBondContact OG-OE2 3.24Å; E146-A149 PolarHBondContact O-N 3.27Å; E146-K150 VanDerWaalsContact O-CB 3.27Å; E146-K150 WeakPolarHBondContact O-CB 3.45Å; E146-K150 PolarHBondContact O-N 3.43Å
147	L	66.8	Low	63.5	Low	101 Å²	101	117 Å²	117	53%	0.529	62%	0.622	S	S	.	*	H	α-helix	trans	-68.4	-35.5	175.2	-74.5	171.2	0	0	0	112.6	S143 E145 K151	S143-L147 PolarHBondContact O-N 2.94Å; E145-L147 VanDerWaalsContact C-N 3.32Å; E145-L147 PolarHBondContact O-N 2.93Å; L147-K151 WeakPolarHBondContact O-CB 3.34Å; L147-K151 PolarHBondContact O-N 3.25Å
148	L	71.6	Confident	64.4	Low	103 Å²	103	119.1 Å²	119.1	54%	0.539	62%	0.622	S	S	.	*	H	α-helix	trans	-71.7	-39.9	174.4	-75.5	168.2	0	0	0	111.9	L144 E145 K151 K152	L144-L148 HydrophobicContact CD2-CD1 4.13Å; L144-L148 PolarHBondContact O-N 2.98Å; E145-L148 PolarHBondContact O-N 2.98Å; E145-L148 VanDerWaalsContact O-N 3.17Å; L148-K151 PolarHBondContact O-N 2.99Å; L148-K152 PolarHBondContact O-N 3.48Å
149	A	70.6	Confident	65.6	Low	60 Å²	60	113 Å²	113	50%	0.496	61%	0.61	S	S	.	*	H	α-helix	trans	-62.3	-43.2	173	0	0	0	0	0	111.4	E145 E146 K152 A153	E145-A149 WeakPolarHBondContact O-CB 3.42Å; E145-A149 PolarHBondContact O-N 2.92Å; E146-A149 PolarHBondContact O-N 3.27Å; A149-K152 PolarHBondContact O-N 2.9Å; A149-A153 WeakPolarHBondContact O-CB 3.43Å; A149-A153 PolarHBondContact O-N 3.19Å
150	K	71.9	Confident	66.8	Low	137 Å²	137	116 Å²	116	60%	0.596	61%	0.605	S	S	*	*	H	α-helix	trans	-67.5	-39.5	178.8	-158.7	169.9	-170.7	176.3	0	112.5	E146 A153 E154	E146-K150 VanDerWaalsContact O-CB 3.27Å; E146-K150 WeakPolarHBondContact O-CB 3.45Å; E146-K150 PolarHBondContact O-N 3.43Å; K150-A153 PolarHBondContact O-N 2.89Å; K150-E154 PolarHBondContact O-N 3.02Å
151	K	75.3	Confident	67.4	Low	124 Å²	124	113.4 Å²	113.4	54%	0.539	60%	0.603	S	S	.	*	H	α-helix	trans	-62.1	-44.3	171.2	-102.3	-164.8	160.8	-132.4	0	112.9	L147 L148 A153 E154 E155	L147-K151 WeakPolarHBondContact O-CB 3.34Å; L147-K151 PolarHBondContact O-N 3.25Å; L148-K151 PolarHBondContact O-N 2.99Å; K151-A153 VanDerWaalsContact C-N 3.31Å; K151-A153 PolarHBondContact O-N 3.27Å; K151-E154 PolarHBondContact O-N 3.2Å; K151-E155 WeakPolarHBondContact O-CG 3.48Å; K151-E155 PolarHBondContact O-N 3.43Å
152	K	72.8	Confident	68.3	Low	143 Å²	143	115.6 Å²	115.6	62%	0.622	60%	0.6	S	S	*	*	H	α-helix	trans	-61.6	-39.5	174.8	-79.7	-173	171.5	-173	0	112.2	L148 A149 E154 E155 E156	L148-K152 PolarHBondContact O-N 3.48Å; A149-K152 PolarHBondContact O-N 2.9Å; K152-E154 VanDerWaalsContact C-N 3.34Å; K152-E155 PolarHBondContact O-N 2.91Å; K152-E156 WeakPolarHBondContact O-CB 2.93Å; K152-E156 WeakPolarHBondContact O-CG 3.32Å; K152-E156 PolarHBondContact O-N 3.39Å
153	A	67.6	Low	69	Low	57 Å²	57	119.1 Å²	119.1	47%	0.471	61%	0.611	S	S	.	*	H	α-helix	trans	-67.1	-32.6	175.5	0	0	0	0	0	112.9	A149 K150 K151 A157	A149-A153 WeakPolarHBondContact O-CB 3.43Å; A149-A153 PolarHBondContact O-N 3.19Å; K150-A153 PolarHBondContact O-N 2.89Å; K151-A153 VanDerWaalsContact C-N 3.31Å; K151-A153 PolarHBondContact O-N 3.27Å; A153-A157 WeakPolarHBondContact O-CB 3.31Å; A153-A157 PolarHBondContact O-N 3.24Å; A153-A157 VanDerWaalsContact O-N 3.09Å
154	E	68.1	Low	69.5	Low	123 Å²	123	120.2 Å²	120.2	58%	0.575	61%	0.612	S	S	*	*	H	α-helix	trans	-68.6	-47.3	168.5	-78.9	179.3	137.5	0	0	111.5	K150 K151 K152 E156 A157 E158	K150-E154 PolarHBondContact O-N 3.02Å; K151-E154 PolarHBondContact O-N 3.2Å; K152-E154 VanDerWaalsContact C-N 3.34Å; E154-E156 PolarHBondContact O-N 3.11Å; E154-A157 CarbonylContact O-C 3.59Å; E154-A157 PolarHBondContact O-N 3.48Å; E154-A157 VanDerWaalsContact O-N 3.07Å; E154-E158 WeakPolarHBondContact O-CG 3.44Å; E154-E158 PolarHBondContact O-N 3.26Å
155	E	69.3	Low	70.4	Confident	114 Å²	114	116 Å²	116	53%	0.533	59%	0.594	S	S	.	*	H	α-helix	trans	-61.2	-39.7	178.2	-72.9	171.1	172.1	0	0	112.3	K151 K152 E158 A159	K151-E155 WeakPolarHBondContact O-CG 3.48Å; K151-E155 PolarHBondContact O-N 3.43Å; K152-E155 PolarHBondContact O-N 2.91Å; E155-E158 PolarHBondContact O-N 2.98Å; E155-A159 VanDerWaalsContact O-CB 3.26Å; E155-A159 WeakPolarHBondContact O-CB 3.47Å; E155-A159 PolarHBondContact O-N 3.12Å
156	E	67.1	Low	71	Confident	152 Å²	152	114.8 Å²	114.8	71%	0.71	59%	0.587	S	S	*	*	H	α-helix	trans	-70.2	-31.8	172.3	-73.4	-171.8	138.1	0	0	113	K152 E154	K152-E156 WeakPolarHBondContact O-CB 2.93Å; K152-E156 WeakPolarHBondContact O-CG 3.32Å; K152-E156 PolarHBondContact O-N 3.39Å; E154-E156 PolarHBondContact O-N 3.11Å
157	A	62.5	Low	71.8	Confident	50 Å²	50	113.3 Å²	113.3	41%	0.413	59%	0.591	S	S	.	*	H	α-helix	trans	-76.5	-24.7	175.3	0	0	0	0	0	113.4	A153 E154	A153-A157 WeakPolarHBondContact O-CB 3.31Å; A153-A157 PolarHBondContact O-N 3.24Å; A153-A157 VanDerWaalsContact O-N 3.09Å; E154-A157 CarbonylContact O-C 3.59Å; E154-A157 PolarHBondContact O-N 3.48Å; E154-A157 VanDerWaalsContact O-N 3.07Å
158	E	63	Low	72.3	Confident	163 Å²	163	113.4 Å²	113.4	76%	0.762	59%	0.589	S	S	*	*	H	α-helix	trans	-83.6	-34.8	171.6	-71.7	-168.5	154.4	0	0	112.2	E154 E155 K160	E154-E158 WeakPolarHBondContact O-CG 3.44Å; E154-E158 PolarHBondContact O-N 3.26Å; E155-E158 PolarHBondContact O-N 2.98Å; E158-K160 PolarHBondContact O-N 3.27Å
159	A	71.1	Confident	72.6	Confident	81 Å²	81	114.7 Å²	114.7	67%	0.669	59%	0.587	S	S	*	*	H	α-helix	trans	-62.6	-20.3	174.6	0	0	0	0	0	113.4	E155 P161	E155-A159 VanDerWaalsContact O-CB 3.26Å; E155-A159 WeakPolarHBondContact O-CB 3.47Å; E155-A159 PolarHBondContact O-N 3.12Å; A159-P161 WeakPolarHBondContact O-CD 3.38Å
160	K	70.9	Confident	73	Confident	160 Å²	160	116.9 Å²	116.9	70%	0.696	59%	0.586	S	S	*	*	S	Bend	trans	-91.2	109.7	178	-165	170.2	-172.8	172.9	0	110.8	E158 K162	E158-K160 PolarHBondContact O-N 3.27Å; K160-K162 PolarHBondContact O-N 3.24Å; K160-K162 VanDerWaalsContact O-N 3.09Å
161	P	70.1	Confident	73.4	Confident	122 Å²	122	113.1 Å²	113.1	79%	0.792	58%	0.581	S	S	*	*			trans	-64.6	114.9	-174.3	25.4	-34.3	0	0	0	111.6	A159	A159-P161 WeakPolarHBondContact O-CD 3.38Å
162	K	77.1	Confident	73.6	Confident	171 Å²	171	111.1 Å²	111.1	74%	0.743	57%	0.573	S	S	*	*			trans	-72.3	128.1	176.2	-69	177.2	-178	169.3	0	110.1	K160 L164	K160-K162 PolarHBondContact O-N 3.24Å; K160-K162 VanDerWaalsContact O-N 3.09Å; K162-L164 PolarHBondContact O-N 2.95Å
163	F	72.6	Confident	74	Confident	185 Å²	185	107 Å²	107	81%	0.811	57%	0.566	S	S	*	*			trans	-70	118	173.4	179.9	-92.6	0	0	0	109.8
164	L	77.5	Confident	74.8	Confident	78 Å²	78	109.7 Å²	109.7	41%	0.408	57%	0.572	S	S	.	*			trans	-106	135.5	172.2	-69	171.4	0	0	0	109.8	K162 E168 R169	K162-L164 PolarHBondContact O-N 2.95Å; L164-E168 HydrophobicContact CB-CB 4.42Å; L164-E168 HydrophobicContact CD2-CB 4.48Å; L164-R169 HydrophobicContact CB-CG 3.65Å; L164-R169 HydrophobicContact CD1-CG 4.31Å; L164-R169 PolarHBondContact O-NE 2.91Å; L164-R169 PolarHBondContact O-NH2 3.32Å
165	S	80.9	Confident	75.5	Confident	52 Å²	52	108.6 Å²	108.6	36%	0.364	57%	0.565	S	S	.	*			trans	-55.3	158.1	174.3	-177.1	0	0	0	0	111.5	A167 E168 R169	S165-A167 VanDerWaalsContact C-N 3.3Å; S165-A167 PolarHBondContact O-N 3.18Å; S165-E168 WeakPolarHBondContact CA-OE2 3.11Å; S165-E168 WeakPolarHBondContact CB-OE2 3.33Å; S165-E168 PolarHBondContact N-OE2 2.75Å; S165-E168 PolarHBondContact O-N 3.12Å; S165-R169 PolarHBondContact O-N 3.02Å
166	K	80.1	Confident	76.1	Confident	137 Å²	137	111 Å²	111	60%	0.596	57%	0.57	S	S	*	*	H	α-helix	trans	-58.6	-44.6	176	-178	179	168.8	-177.5	0	110.9	E168 R169 E170	K166-E168 PolarHBondContact O-N 3.02Å; K166-R169 PolarHBondContact O-N 3.32Å; K166-E170 WeakPolarHBondContact CE-OE1 3.34Å; K166-E170 IonicContact NZ-OE1 2.8Å; K166-E170 WeakPolarHBondContact O-CG 3.28Å; K166-E170 PolarHBondContact O-N 3.48Å
167	A	79.9	Confident	76.8	Confident	66 Å²	66	112.1 Å²	112.1	55%	0.545	57%	0.567	S	S	.	*	H	α-helix	trans	-64.5	-38.9	177.8	0	0	0	0	0	112.6	S165 E170 A171	S165-A167 VanDerWaalsContact C-N 3.3Å; S165-A167 PolarHBondContact O-N 3.18Å; A167-E170 PolarHBondContact O-N 2.88Å; A167-A171 WeakPolarHBondContact O-CB 3.04Å; A167-A171 PolarHBondContact O-N 2.72Å
168	E	79.3	Confident	77.7	Confident	104 Å²	104	116.4 Å²	116.4	49%	0.486	58%	0.579	S	S	.	*	H	α-helix	trans	-67.7	-40.1	177.2	-66.9	169.6	146	0	0	111.6	L164 S165 K166 A171 E172	L164-E168 HydrophobicContact CB-CB 4.42Å; L164-E168 HydrophobicContact CD2-CB 4.48Å; S165-E168 WeakPolarHBondContact CA-OE2 3.11Å; S165-E168 WeakPolarHBondContact CB-OE2 3.33Å; S165-E168 PolarHBondContact N-OE2 2.75Å; S165-E168 PolarHBondContact O-N 3.12Å; K166-E168 PolarHBondContact O-N 3.02Å; E168-A171 PolarHBondContact O-N 3.1Å; E168-E172 WeakPolarHBondContact O-CB 3.49Å; E168-E172 PolarHBondContact O-N 3.38Å
169	R	77.8	Confident	78.6	Confident	130 Å²	130	113.4 Å²	113.4	49%	0.491	57%	0.565	S	S	.	*	H	α-helix	trans	-67.1	-36.5	174	-76.7	-178.7	-77.4	121.1	-5.2	112.7	L164 S165 K166 A173	L164-R169 HydrophobicContact CB-CG 3.65Å; L164-R169 HydrophobicContact CD1-CG 4.31Å; L164-R169 PolarHBondContact O-NE 2.91Å; L164-R169 PolarHBondContact O-NH2 3.32Å; S165-R169 PolarHBondContact O-N 3.02Å; K166-R169 PolarHBondContact O-N 3.32Å; R169-A173 WeakPolarHBondContact O-CB 3.41Å; R169-A173 PolarHBondContact O-N 2.94Å
170	E	78	Confident	79.1	Confident	105 Å²	105	115.1 Å²	115.1	49%	0.491	56%	0.559	S	S	.	*	H	α-helix	trans	-68.2	-37.6	174	-74.9	169.6	-175.8	0	0	111.4	K166 A167 L174	K166-E170 WeakPolarHBondContact CE-OE1 3.34Å; K166-E170 IonicContact NZ-OE1 2.8Å; K166-E170 WeakPolarHBondContact O-CG 3.28Å; K166-E170 PolarHBondContact O-N 3.48Å; A167-E170 PolarHBondContact O-N 2.88Å; E170-L174 WeakPolarHBondContact O-CB 3.35Å; E170-L174 PolarHBondContact O-N 2.6Å
171	A	81.3	Confident	79.8	Confident	58 Å²	58	111 Å²	111	48%	0.479	55%	0.547	S	S	.	.	H	α-helix	trans	-67.8	-46.1	173.5	0	0	0	0	0	113.1	A167 E168 A173 L174 K175	A167-A171 WeakPolarHBondContact O-CB 3.04Å; A167-A171 PolarHBondContact O-N 2.72Å; E168-A171 PolarHBondContact O-N 3.1Å; A171-A173 VanDerWaalsContact C-N 3.33Å; A171-A173 PolarHBondContact O-N 2.7Å; A171-L174 PolarHBondContact O-N 3.35Å; A171-K175 VanDerWaalsContact O-CB 3.31Å; A171-K175 WeakPolarHBondContact O-CB 3.48Å; A171-K175 PolarHBondContact O-N 3.42Å
172	E	79.4	Confident	80.3	Confident	82 Å²	82	110.9 Å²	110.9	38%	0.383	54%	0.536	S	S	.	.	H	α-helix	trans	-67.6	-34.4	178.2	-160.1	69.7	-123.2	0	0	111.4	E168 K175 R176	E168-E172 WeakPolarHBondContact O-CB 3.49Å; E168-E172 PolarHBondContact O-N 3.38Å; E172-K175 PolarHBondContact O-N 2.78Å; E172-K175 IonicContact OE1-NZ 2.81Å; E172-K175 PolarHBondContact OE1-NZ 3.05Å; E172-K175 IonicContact OE2-NZ 2.73Å; E172-R176 WeakPolarHBondContact O-CB 3.45Å; E172-R176 PolarHBondContact O-N 2.64Å
173	A	80.4	Confident	80.5	Confident	57 Å²	57	109.3 Å²	109.3	47%	0.471	53%	0.531	S	S	.	.	H	α-helix	trans	-68.5	-40.2	172	0	0	0	0	0	112.5	R169 A171 R177	R169-A173 WeakPolarHBondContact O-CB 3.41Å; R169-A173 PolarHBondContact O-N 2.94Å; A171-A173 VanDerWaalsContact C-N 3.33Å; A171-A173 PolarHBondContact O-N 2.7Å; A173-R177 VanDerWaalsContact O-CB 3.24Å; A173-R177 WeakPolarHBondContact O-CB 3.39Å; A173-R177 PolarHBondContact O-N 3.45Å
174	L	83.4	Confident	81	Confident	113 Å²	113	109.9 Å²	109.9	59%	0.592	53%	0.528	S	S	*	.	H	α-helix	trans	-61.1	-44.9	171.6	-93.5	163.8	0	0	0	111.5	E170 A171 R177 Q178	E170-L174 WeakPolarHBondContact O-CB 3.35Å; E170-L174 PolarHBondContact O-N 2.6Å; A171-L174 PolarHBondContact O-N 3.35Å; L174-R177 PolarHBondContact O-N 3.15Å; L174-Q178 VanDerWaalsContact O-CB 3.3Å; L174-Q178 WeakPolarHBondContact O-CB 2.97Å; L174-Q178 PolarHBondContact O-N 3.14Å
175	K	83.5	Confident	81.1	Confident	100 Å²	100	112.6 Å²	112.6	44%	0.435	54%	0.539	S	S	.	.	H	α-helix	trans	-63.6	-46.2	178.3	179.9	176.8	158.9	-141.8	0	112.2	A171 E172 Q178 Q179	A171-K175 VanDerWaalsContact O-CB 3.31Å; A171-K175 WeakPolarHBondContact O-CB 3.48Å; A171-K175 PolarHBondContact O-N 3.42Å; E172-K175 PolarHBondContact O-N 2.78Å; E172-K175 IonicContact OE1-NZ 2.81Å; E172-K175 PolarHBondContact OE1-NZ 3.05Å; E172-K175 IonicContact OE2-NZ 2.73Å; K175-Q178 PolarHBondContact O-N 3.26Å; K175-Q179 WeakPolarHBondContact O-CG 3.42Å; K175-Q179 PolarHBondContact O-N 3.24Å
176	R	81.8	Confident	81.1	Confident	166 Å²	166	118.1 Å²	118.1	63%	0.626	55%	0.551	S	S	*	*	H	α-helix	trans	-58.9	-49	171.3	-86.1	-174.1	169.3	164.9	-1.7	112	E172 Q178 Q179 E180	E172-R176 WeakPolarHBondContact O-CB 3.45Å; E172-R176 PolarHBondContact O-N 2.64Å; R176-Q178 PolarHBondContact O-N 2.92Å; R176-Q179 WeakPolarHBondContact O-CB 3.41Å; R176-Q179 PolarHBondContact O-N 3Å; R176-Q179 VanDerWaalsContact O-N 3.12Å; R176-E180 WeakPolarHBondContact O-CG 3.43Å; R176-E180 PolarHBondContact O-N 3.04Å
177	R	81.8	Confident	81.1	Confident	174 Å²	174	117.4 Å²	117.4	66%	0.657	55%	0.552	S	S	*	*	H	α-helix	trans	-61.6	-32.7	177.5	-178.8	176.9	167.8	-167.5	-4.8	112.3	A173 L174 V181	A173-R177 VanDerWaalsContact O-CB 3.24Å; A173-R177 WeakPolarHBondContact O-CB 3.39Å; A173-R177 PolarHBondContact O-N 3.45Å; L174-R177 PolarHBondContact O-N 3.15Å; R177-V181 WeakPolarHBondContact O-CB 3.26Å; R177-V181 WeakPolarHBondContact O-CG2 3.15Å; R177-V181 PolarHBondContact O-N 3.13Å
178	Q	82.1	Confident	81.1	Confident	140 Å²	140	118.8 Å²	118.8	65%	0.654	55%	0.55	S	S	*	.	H	α-helix	trans	-70.7	-40.7	174.7	-171.4	171.8	7.6	0	0	111.5	L174 K175 R176 V181 E182	L174-Q178 VanDerWaalsContact O-CB 3.3Å; L174-Q178 WeakPolarHBondContact O-CB 2.97Å; L174-Q178 PolarHBondContact O-N 3.14Å; K175-Q178 PolarHBondContact O-N 3.26Å; R176-Q178 PolarHBondContact O-N 2.92Å; Q178-V181 PolarHBondContact O-N 3.31Å; Q178-E182 WeakPolarHBondContact O-CB 3.45Å; Q178-E182 PolarHBondContact O-N 2.94Å
179	Q	80.8	Confident	81	Confident	101 Å²	101	118.7 Å²	118.7	47%	0.472	55%	0.549	S	S	.	.	H	α-helix	trans	-64.1	-46.1	172.6	-70.6	171.4	-37.5	0	0	111.9	K175 R176 V181 E182 E183	K175-Q179 WeakPolarHBondContact O-CG 3.42Å; K175-Q179 PolarHBondContact O-N 3.24Å; R176-Q179 WeakPolarHBondContact O-CB 3.41Å; R176-Q179 PolarHBondContact O-N 3Å; R176-Q179 VanDerWaalsContact O-N 3.12Å; Q179-V181 VanDerWaalsContact C-N 3.28Å; Q179-V181 PolarHBondContact O-N 2.97Å; Q179-E182 PolarHBondContact O-N 2.95Å; Q179-E182 VanDerWaalsContact O-N 3.13Å; Q179-E183 PolarHBondContact O-N 2.88Å
180	E	83.1	Confident	81.1	Confident	116 Å²	116	116.7 Å²	116.7	54%	0.542	55%	0.545	S	S	.	.	H	α-helix	trans	-60.4	-36.4	174.7	-71.8	170.1	-170.5	0	0	112.5	R176 R184	R176-E180 WeakPolarHBondContact O-CG 3.43Å; R176-E180 PolarHBondContact O-N 3.04Å; E180-R184 VanDerWaalsContact O-CB 3.32Å; E180-R184 WeakPolarHBondContact O-CB 3.5Å; E180-R184 WeakPolarHBondContact O-CG 3.44Å; E180-R184 PolarHBondContact O-N 3.28Å
181	V	84.6	Confident	81.3	Confident	75 Å²	75	117.9 Å²	117.9	46%	0.455	55%	0.551	S	S	.	*	H	α-helix	trans	-69.3	-43.1	172.8	165.1	0	0	0	0	110.9	R177 Q178 Q179 R184 Q185	R177-V181 WeakPolarHBondContact O-CB 3.26Å; R177-V181 WeakPolarHBondContact O-CG2 3.15Å; R177-V181 PolarHBondContact O-N 3.13Å; Q178-V181 PolarHBondContact O-N 3.31Å; Q179-V181 VanDerWaalsContact C-N 3.28Å; Q179-V181 PolarHBondContact O-N 2.97Å; V181-R184 PolarHBondContact O-N 2.89Å; V181-Q185 WeakPolarHBondContact O-CB 3.41Å; V181-Q185 PolarHBondContact O-N 3.02Å
182	E	81.3	Confident	81.1	Confident	119 Å²	119	123.6 Å²	123.6	56%	0.556	56%	0.56	S	S	*	*	H	α-helix	trans	-62.6	-45.8	176.8	-168.2	-172.1	152.5	0	0	111.6	Q178 Q179 R184 Q185 R186	Q178-E182 WeakPolarHBondContact O-CB 3.45Å; Q178-E182 PolarHBondContact O-N 2.94Å; Q179-E182 PolarHBondContact O-N 2.95Å; Q179-E182 VanDerWaalsContact O-N 3.13Å; E182-R184 PolarHBondContact O-N 3.31Å; E182-Q185 WeakPolarHBondContact O-CB 3.28Å; E182-Q185 PolarHBondContact O-N 2.87Å; E182-Q185 VanDerWaalsContact O-N 3.16Å; E182-R186 VanDerWaalsContact O-CB 3.26Å; E182-R186 WeakPolarHBondContact O-CB 3.39Å; E182-R186 PolarHBondContact O-N 3.48Å
183	E	81.7	Confident	81.2	Confident	137 Å²	137	125 Å²	125	64%	0.64	57%	0.565	S	S	*	*	H	α-helix	trans	-62.7	-41.1	175.5	-72.2	-166.9	153.3	0	0	111.9	Q179 R186 M187	Q179-E183 PolarHBondContact O-N 2.88Å; E183-R186 PolarHBondContact O-N 2.89Å; E183-M187 VanDerWaalsContact O-CB 3.3Å; E183-M187 WeakPolarHBondContact O-CB 3.47Å; E183-M187 WeakPolarHBondContact O-CG 3.45Å; E183-M187 PolarHBondContact O-N 2.93Å
184	R	81.6	Confident	81.2	Confident	198 Å²	198	127.8 Å²	127.8	75%	0.747	57%	0.566	S	S	*	*	H	α-helix	trans	-61.7	-42.2	170.9	-83.4	178.7	158.3	-164.7	-4.9	112.4	E180 V181 E182 R186 L188	E180-R184 VanDerWaalsContact O-CB 3.32Å; E180-R184 WeakPolarHBondContact O-CB 3.5Å; E180-R184 WeakPolarHBondContact O-CG 3.44Å; E180-R184 PolarHBondContact O-N 3.28Å; V181-R184 PolarHBondContact O-N 2.89Å; E182-R184 PolarHBondContact O-N 3.31Å; R184-R186 VanDerWaalsContact C-N 3.33Å; R184-L188 WeakPolarHBondContact O-CB 3.29Å; R184-L188 PolarHBondContact O-N 3.32Å
185	Q	79.4	Confident	80.9	Confident	135 Å²	135	130.9 Å²	130.9	63%	0.631	57%	0.57	S	S	*	*	H	α-helix	trans	-61.4	-44.6	177.3	-148.5	99.6	-37.8	0	0	110.5	V181 E182 L188 E189	V181-Q185 WeakPolarHBondContact O-CB 3.41Å; V181-Q185 PolarHBondContact O-N 3.02Å; E182-Q185 WeakPolarHBondContact O-CB 3.28Å; E182-Q185 PolarHBondContact O-N 2.87Å; E182-Q185 VanDerWaalsContact O-N 3.16Å; Q185-L188 PolarHBondContact O-N 3.09Å; Q185-E189 WeakPolarHBondContact O-CB 3.46Å; Q185-E189 PolarHBondContact O-N 3.21Å
186	R	82.3	Confident	80.5	Confident	167 Å²	167	132.3 Å²	132.3	63%	0.63	58%	0.576	S	S	*	*	H	α-helix	trans	-69.3	-43.2	-178.9	-168.8	174.3	-174.8	167.1	0.1	112.2	E182 E183 R184 E189 E190	E182-R186 VanDerWaalsContact O-CB 3.26Å; E182-R186 WeakPolarHBondContact O-CB 3.39Å; E182-R186 PolarHBondContact O-N 3.48Å; E183-R186 PolarHBondContact O-N 2.89Å; R184-R186 VanDerWaalsContact C-N 3.33Å; R186-E189 PolarHBondContact O-N 2.88Å; R186-E190 PolarHBondContact O-N 3Å
187	M	80.6	Confident	80.3	Confident	123 Å²	123	130.5 Å²	130.5	61%	0.606	58%	0.575	S	S	*	*	H	α-helix	trans	-61.4	-44.4	171.3	-80	-69.4	-72.3	0	0	111.6	E183 E189 E190 E191	E183-M187 VanDerWaalsContact O-CB 3.3Å; E183-M187 WeakPolarHBondContact O-CB 3.47Å; E183-M187 WeakPolarHBondContact O-CG 3.45Å; E183-M187 PolarHBondContact O-N 2.93Å; M187-E189 VanDerWaalsContact C-N 3.33Å; M187-E189 PolarHBondContact O-N 3.43Å; M187-E190 PolarHBondContact O-N 3.02Å; M187-E191 WeakPolarHBondContact O-CB 3.45Å; M187-E191 PolarHBondContact O-N 2.94Å
188	L	78	Confident	80	Confident	95 Å²	95	129.6 Å²	129.6	50%	0.497	58%	0.576	S	S	.	*	H	α-helix	trans	-66.9	-34	177.6	-171.2	151.8	0	0	0	112	R184 Q185 R192	R184-L188 WeakPolarHBondContact O-CB 3.29Å; R184-L188 PolarHBondContact O-N 3.32Å; Q185-L188 PolarHBondContact O-N 3.09Å; L188-R192 HydrophobicContact CD2-CG 4.35Å; L188-R192 WeakPolarHBondContact O-CB 3.31Å; L188-R192 WeakPolarHBondContact O-CG 3.27Å; L188-R192 PolarHBondContact O-N 3.29Å
189	E	77.9	Confident	79.5	Confident	102 Å²	102	129.2 Å²	129.2	48%	0.477	57%	0.574	S	S	.	*	H	α-helix	trans	-71.8	-39.7	173.5	-151.1	-147.1	156.9	0	0	112.2	Q185 R186 M187 R192 K193	Q185-E189 WeakPolarHBondContact O-CB 3.46Å; Q185-E189 PolarHBondContact O-N 3.21Å; R186-E189 PolarHBondContact O-N 2.88Å; M187-E189 VanDerWaalsContact C-N 3.33Å; M187-E189 PolarHBondContact O-N 3.43Å; E189-R192 PolarHBondContact O-N 3.47Å; E189-K193 VanDerWaalsContact CD-CE 3.48Å; E189-K193 WeakPolarHBondContact O-CD 3.38Å; E189-K193 VanDerWaalsContact O-CG 3.28Å; E189-K193 WeakPolarHBondContact O-CG 3.43Å; E189-K193 PolarHBondContact O-N 2.98Å; E189-K193 WeakPolarHBondContact OE1-CE 3.19Å; E189-K193 IonicContact OE1-NZ 2.7Å; E189-K193 PolarHBondContact OE1-NZ 3.19Å; E189-K193 IonicContact OE2-NZ 3.84Å; E189-K193 PolarHBondContact OE2-NZ 2.83Å
190	E	81.1	Confident	79	Confident	88 Å²	88	127.9 Å²	127.9	41%	0.411	57%	0.57	S	S	.	*	H	α-helix	trans	-62.8	-42.2	170.1	-83.6	-149	-180	0	0	112.3	R186 M187 R192 K193 K194	R186-E190 PolarHBondContact O-N 3Å; M187-E190 PolarHBondContact O-N 3.02Å; E190-R192 VanDerWaalsContact C-N 3.34Å; E190-K193 CarbonylContact O-C 3.58Å; E190-K193 WeakPolarHBondContact O-CB 3.31Å; E190-K193 PolarHBondContact O-N 3.19Å; E190-K193 VanDerWaalsContact O-N 3.13Å; E190-K194 WeakPolarHBondContact O-CB 3.47Å; E190-K194 WeakPolarHBondContact O-CD 3.46Å; E190-K194 VanDerWaalsContact O-CG 3.28Å; E190-K194 WeakPolarHBondContact O-CG 3.49Å; E190-K194 PolarHBondContact O-N 3.48Å; E190-K194 WeakPolarHBondContact OE2-CE 3.42Å; E190-K194 IonicContact OE2-NZ 2.99Å; E190-K194 PolarHBondContact OE2-NZ 3.07Å
191	E	80.8	Confident	78.2	Confident	129 Å²	129	127.3 Å²	127.3	60%	0.603	57%	0.571	S	S	*	*	H	α-helix	trans	-67.4	-36.9	177.7	-168.2	171	-173.4	0	0	110.9	M187 K194 R195	M187-E191 WeakPolarHBondContact O-CB 3.45Å; M187-E191 PolarHBondContact O-N 2.94Å; E191-K194 PolarHBondContact O-N 3.01Å; E191-R195 WeakPolarHBondContact O-CB 3.4Å; E191-R195 PolarHBondContact O-N 3.31Å
192	R	77.8	Confident	77.2	Confident	179 Å²	179	125.3 Å²	125.3	68%	0.675	57%	0.565	S	S	*	*	H	α-helix	trans	-60.6	-41.4	167.1	-81.9	-179.9	168.8	-169.2	-2.8	112.4	L188 E189 E190 K196	L188-R192 HydrophobicContact CD2-CG 4.35Å; L188-R192 WeakPolarHBondContact O-CB 3.31Å; L188-R192 WeakPolarHBondContact O-CG 3.27Å; L188-R192 PolarHBondContact O-N 3.29Å; E189-R192 PolarHBondContact O-N 3.47Å; E190-R192 VanDerWaalsContact C-N 3.34Å; R192-K196 VanDerWaalsContact O-CB 3.29Å; R192-K196 WeakPolarHBondContact O-CB 3.43Å; R192-K196 PolarHBondContact O-N 3.22Å
193	K	80.4	Confident	76.2	Confident	110 Å²	110	128.6 Å²	128.6	48%	0.478	57%	0.572	S	S	.	*	H	α-helix	trans	-64.5	-45.7	176	-73.1	160.6	-175	162.6	0	111.3	E189 E190 K196 Q197	E189-K193 VanDerWaalsContact CD-CE 3.48Å; E189-K193 WeakPolarHBondContact O-CD 3.38Å; E189-K193 VanDerWaalsContact O-CG 3.28Å; E189-K193 WeakPolarHBondContact O-CG 3.43Å; E189-K193 PolarHBondContact O-N 2.98Å; E189-K193 WeakPolarHBondContact OE1-CE 3.19Å; E189-K193 IonicContact OE1-NZ 2.7Å; E189-K193 PolarHBondContact OE1-NZ 3.19Å; E189-K193 IonicContact OE2-NZ 3.84Å; E189-K193 PolarHBondContact OE2-NZ 2.83Å; E190-K193 CarbonylContact O-C 3.58Å; E190-K193 WeakPolarHBondContact O-CB 3.31Å; E190-K193 PolarHBondContact O-N 3.19Å; E190-K193 VanDerWaalsContact O-N 3.13Å; K193-K196 PolarHBondContact O-N 2.83Å; K193-Q197 WeakPolarHBondContact O-CB 3.26Å; K193-Q197 PolarHBondContact O-N 2.98Å
194	K	81.4	Confident	74.9	Confident	116 Å²	116	129.7 Å²	129.7	50%	0.504	58%	0.575	S	S	.	*	H	α-helix	trans	-62.3	-45.2	175.4	-70.3	156.9	179.6	161.3	0	111.4	E190 E191 Q197 F198	E190-K194 WeakPolarHBondContact O-CB 3.47Å; E190-K194 WeakPolarHBondContact O-CD 3.46Å; E190-K194 VanDerWaalsContact O-CG 3.28Å; E190-K194 WeakPolarHBondContact O-CG 3.49Å; E190-K194 PolarHBondContact O-N 3.48Å; E190-K194 WeakPolarHBondContact OE2-CE 3.42Å; E190-K194 IonicContact OE2-NZ 2.99Å; E190-K194 PolarHBondContact OE2-NZ 3.07Å; E191-K194 PolarHBondContact O-N 3.01Å; K194-Q197 PolarHBondContact O-N 2.96Å; K194-F198 WeakPolarHBondContact O-CB 3.29Å; K194-F198 PolarHBondContact O-N 3.1Å
195	R	76.4	Confident	73.7	Confident	178 Å²	178	128.5 Å²	128.5	67%	0.672	58%	0.58	S	S	*	*	H	α-helix	trans	-63	-42.2	175.9	-171.2	65.5	170.5	-112.6	3	111.9	E191 F198 Q199	E191-R195 WeakPolarHBondContact O-CB 3.4Å; E191-R195 PolarHBondContact O-N 3.31Å; R195-F198 PolarHBondContact O-N 3.07Å; R195-Q199 VanDerWaalsContact O-CB 3.31Å; R195-Q199 WeakPolarHBondContact O-CB 3.48Å; R195-Q199 PolarHBondContact O-N 3.41Å
196	K	76.4	Confident	72.4	Confident	130 Å²	130	129.5 Å²	129.5	57%	0.565	59%	0.589	S	S	*	*	H	α-helix	trans	-64	-47.3	174.1	-178.2	179	176.4	-176.1	0	111.4	R192 K193 F198 Q199 D200	R192-K196 VanDerWaalsContact O-CB 3.29Å; R192-K196 WeakPolarHBondContact O-CB 3.43Å; R192-K196 PolarHBondContact O-N 3.22Å; K193-K196 PolarHBondContact O-N 2.83Å; K196-F198 VanDerWaalsContact C-N 3.3Å; K196-F198 PolarHBondContact O-N 3.15Å; K196-Q199 CarbonylContact O-C 3.53Å; K196-Q199 PolarHBondContact O-N 3.22Å; K196-Q199 VanDerWaalsContact O-N 3.12Å; K196-D200 VanDerWaalsContact CE-OD2 3.25Å; K196-D200 WeakPolarHBondContact CE-OD2 3.37Å; K196-D200 WeakPolarHBondContact CG-OD2 3.49Å; K196-D200 WeakPolarHBondContact O-CB 3.45Å; K196-D200 PolarHBondContact O-N 3.41Å
197	Q	77.5	Confident	70.7	Confident	128 Å²	128	125 Å²	125	60%	0.598	58%	0.575	S	S	*	*	H	α-helix	trans	-58.7	-42.2	177.6	-176.7	178.3	-2.8	0	0	111.9	K193 K194 L201	K193-Q197 WeakPolarHBondContact O-CB 3.26Å; K193-Q197 PolarHBondContact O-N 2.98Å; K194-Q197 PolarHBondContact O-N 2.96Å; Q197-L201 HydrophobicContact CG-CD1 4.32Å; Q197-L201 WeakPolarHBondContact O-CB 3.42Å; Q197-L201 WeakPolarHBondContact O-CD1 3.22Å; Q197-L201 VanDerWaalsContact O-CG 3.29Å; Q197-L201 WeakPolarHBondContact O-CG 3.26Å; Q197-L201 PolarHBondContact O-N 2.87Å
198	F	75.6	Confident	69.6	Low	156 Å²	156	123.3 Å²	123.3	68%	0.684	57%	0.568	S	S	*	*	H	α-helix	trans	-64.2	-42.4	173.8	-174.7	-94.8	0	0	0	112.3	K194 R195 K196 L201 G202	K194-F198 WeakPolarHBondContact O-CB 3.29Å; K194-F198 PolarHBondContact O-N 3.1Å; R195-F198 PolarHBondContact O-N 3.07Å; K196-F198 VanDerWaalsContact C-N 3.3Å; K196-F198 PolarHBondContact O-N 3.15Å; F198-L201 PolarHBondContact O-N 3.01Å; F198-G202 PolarHBondContact O-N 3.02Å
199	Q	71.6	Confident	68.7	Low	132 Å²	132	123.9 Å²	123.9	62%	0.617	58%	0.578	S	S	*	*	H	α-helix	trans	-67	-40.1	177.5	-172.4	172.4	5.3	0	0	112.5	R195 K196 G202 R203	R195-Q199 VanDerWaalsContact O-CB 3.31Å; R195-Q199 WeakPolarHBondContact O-CB 3.48Å; R195-Q199 PolarHBondContact O-N 3.41Å; K196-Q199 CarbonylContact O-C 3.53Å; K196-Q199 PolarHBondContact O-N 3.22Å; K196-Q199 VanDerWaalsContact O-N 3.12Å; Q199-G202 PolarHBondContact O-N 3.38Å; Q199-R203 VanDerWaalsContact O-CB 3.29Å; Q199-R203 WeakPolarHBondContact O-CB 3.21Å; Q199-R203 PolarHBondContact O-N 2.66Å
200	D	70	Confident	67.6	Low	72 Å²	72	124.7 Å²	124.7	39%	0.385	58%	0.582	S	S	.	*	H	α-helix	trans	-69.4	-33.8	176.4	-73.7	-26.9	0	0	0	111.7	K196 K204	K196-D200 VanDerWaalsContact CE-OD2 3.25Å; K196-D200 WeakPolarHBondContact CE-OD2 3.37Å; K196-D200 WeakPolarHBondContact CG-OD2 3.49Å; K196-D200 WeakPolarHBondContact O-CB 3.45Å; K196-D200 PolarHBondContact O-N 3.41Å; D200-K204 WeakPolarHBondContact O-CG 3.15Å; D200-K204 PolarHBondContact O-N 3.36Å; D200-K204 VanDerWaalsContact O-N 3.1Å
201	L	66	Low	66.4	Low	105 Å²	105	126.6 Å²	126.6	55%	0.55	59%	0.591	S	S	.	*	H	α-helix	trans	-66.1	-48	170.5	-78.9	165.9	0	0	0	111.7	Q197 F198 R203 K204 M205	Q197-L201 HydrophobicContact CG-CD1 4.32Å; Q197-L201 WeakPolarHBondContact O-CB 3.42Å; Q197-L201 WeakPolarHBondContact O-CD1 3.22Å; Q197-L201 VanDerWaalsContact O-CG 3.29Å; Q197-L201 WeakPolarHBondContact O-CG 3.26Å; Q197-L201 PolarHBondContact O-N 2.87Å; F198-L201 PolarHBondContact O-N 3.01Å; L201-R203 VanDerWaalsContact C-N 3.32Å; L201-R203 PolarHBondContact O-N 3.45Å; L201-K204 PolarHBondContact O-N 3.07Å; L201-M205 PolarHBondContact O-N 3.11Å
202	G	62.5	Low	65.4	Low	33 Å²	33	127.1 Å²	127.1	34%	0.34	59%	0.587	S	S	.	*	H	α-helix	trans	-60.7	-40.4	175	0	0	0	0	0	112.4	F198 Q199 K204 M205 L206	F198-G202 PolarHBondContact O-N 3.02Å; Q199-G202 PolarHBondContact O-N 3.38Å; G202-K204 VanDerWaalsContact C-N 3.35Å; G202-K204 PolarHBondContact O-N 3.05Å; G202-M205 PolarHBondContact O-N 3.46Å; G202-M205 VanDerWaalsContact O-N 3.1Å; G202-L206 PolarHBondContact O-N 3.25Å; G202-L206 VanDerWaalsContact O-N 3.14Å
203	R	60.6	Low	64.6	Low	187 Å²	187	124.8 Å²	124.8	71%	0.706	58%	0.584	S	S	*	*	H	α-helix	trans	-62.3	-40.1	176.8	-161.3	175.5	-156.5	-152.3	1.2	112.2	Q199 L201 M205 L206 E207	Q199-R203 VanDerWaalsContact O-CB 3.29Å; Q199-R203 WeakPolarHBondContact O-CB 3.21Å; Q199-R203 PolarHBondContact O-N 2.66Å; L201-R203 VanDerWaalsContact C-N 3.32Å; L201-R203 PolarHBondContact O-N 3.45Å; R203-M205 VanDerWaalsContact C-N 3.26Å; R203-M205 PolarHBondContact O-N 3.41Å; R203-L206 CarbonylContact O-C 3.52Å; R203-L206 PolarHBondContact O-N 3.07Å; R203-E207 PolarHBondContact O-N 3.15Å
204	K	55.9	Low	63.8	Low	160 Å²	160	128.1 Å²	128.1	70%	0.696	59%	0.593	S	S	*	*	H	α-helix	trans	-70.2	-15.2	174.3	-77.1	-178.5	174.3	-174.7	0	114.8	D200 L201 G202	D200-K204 WeakPolarHBondContact O-CG 3.15Å; D200-K204 PolarHBondContact O-N 3.36Å; D200-K204 VanDerWaalsContact O-N 3.1Å; L201-K204 PolarHBondContact O-N 3.07Å; G202-K204 VanDerWaalsContact C-N 3.35Å; G202-K204 PolarHBondContact O-N 3.05Å
205	M	55.4	Low	63.2	Low	174 Å²	174	129.4 Å²	129.4	86%	0.857	60%	0.595	S	S	*	*	H	α-helix	trans	-95	-8.5	170.9	-71.8	-170.6	166.3	0	0	113.3	L201 G202 R203	L201-M205 PolarHBondContact O-N 3.11Å; G202-M205 PolarHBondContact O-N 3.46Å; G202-M205 VanDerWaalsContact O-N 3.1Å; R203-M205 VanDerWaalsContact C-N 3.26Å; R203-M205 PolarHBondContact O-N 3.41Å
206	L	51.3	Low	62.6	Low	156 Å²	156	125.7 Å²	125.7	82%	0.817	59%	0.585	S	S	*	*	S	Bend	trans	-112.3	2.6	176.7	-80.9	160.8	0	0	0	113.1	G202 R203 D208	G202-L206 PolarHBondContact O-N 3.25Å; G202-L206 VanDerWaalsContact O-N 3.14Å; R203-L206 CarbonylContact O-C 3.52Å; R203-L206 PolarHBondContact O-N 3.07Å; L206-D208 PolarHBondContact O-N 2.73Å
207	E	47.9	Very low	62	Low	73 Å²	73	127.6 Å²	127.6	34%	0.341	59%	0.589	S	S	.	*	S	Bend	trans	-73.5	117.4	174.4	-160.8	165.7	-131.1	0	0	108.5	R203	R203-E207 PolarHBondContact O-N 3.15Å
208	D	56.5	Low	61.4	Low	86 Å²	86	129.7 Å²	129.7	46%	0.46	59%	0.591	S	S	.	*			trans	-56.7	132	-176.5	-173.5	-43.5	0	0	0	109.9	L206 Q210 E211 R212	L206-D208 PolarHBondContact O-N 2.73Å; D208-Q210 PolarHBondContact O-N 2.73Å; D208-Q210 WeakPolarHBondContact OD1-CB 3.43Å; D208-Q210 PolarHBondContact OD1-N 3.39Å; D208-E211 HydrophobicContact CB-CB 4.2Å; D208-E211 PolarHBondContact O-N 2.87Å; D208-R212 PolarHBondContact O-N 3.27Å
209	P	58.7	Low	60.7	Low	107 Å²	107	125.4 Å²	125.4	70%	0.695	57%	0.574	S	S	*	*	H	α-helix	trans	-47.7	-34.9	175.2	-30.2	36.3	0	0	0	114.1	E213	P209-E213 VanDerWaalsContact O-CB 3.28Å; P209-E213 WeakPolarHBondContact O-CB 3.44Å; P209-E213 PolarHBondContact O-N 3.31Å
210	Q	55.6	Low	60.2	Low	120 Å²	120	126.7 Å²	126.7	56%	0.561	57%	0.573	S	S	*	*	H	α-helix	trans	-73.2	-33.1	176.4	-60.4	-169	9.4	0	0	113.4	D208 R214	D208-Q210 PolarHBondContact O-N 2.73Å; D208-Q210 WeakPolarHBondContact OD1-CB 3.43Å; D208-Q210 PolarHBondContact OD1-N 3.39Å; Q210-R214 WeakPolarHBondContact O-CB 3.38Å; Q210-R214 WeakPolarHBondContact O-CD 3.42Å; Q210-R214 WeakPolarHBondContact O-CG 3.49Å; Q210-R214 PolarHBondContact O-N 3.25Å
211	E	55.6	Low	59.5	Low	128 Å²	128	128 Å²	128	60%	0.598	58%	0.578	S	S	*	*	H	α-helix	trans	-74.4	-39.6	176.4	-173.2	160.9	-135.7	0	0	110.7	D208 R214 R215	D208-E211 HydrophobicContact CB-CB 4.2Å; D208-E211 PolarHBondContact O-N 2.87Å; E211-R214 PolarHBondContact O-N 3.28Å; E211-R215 WeakPolarHBondContact O-CB 3.42Å; E211-R215 PolarHBondContact O-N 3.41Å
212	R	61	Low	58.9	Low	140 Å²	140	128.4 Å²	128.4	53%	0.528	58%	0.577	S	S	.	*	H	α-helix	trans	-60.6	-47.5	170.1	-178.6	175.7	167.7	-168.5	-10.3	112	D208 R214 R215 E216	D208-R212 PolarHBondContact O-N 3.27Å; R212-R214 PolarHBondContact O-N 2.98Å; R212-R215 PolarHBondContact O-N 3.37Å; R212-E216 HydrophobicContact CG-CG 4.48Å; R212-E216 IonicContact CZ-OE1 2.77Å; R212-E216 VanDerWaalsContact CZ-OE1 3.29Å; R212-E216 IonicContact NE-OE1 2.62Å; R212-E216 PolarHBondContact NE-OE1 3.13Å; R212-E216 IonicContact NH2-OE1 3.58Å; R212-E216 PolarHBondContact NH2-OE1 2.83Å; R212-E216 WeakPolarHBondContact O-CG 3.47Å; R212-E216 PolarHBondContact O-N 2.8Å
213	E	59.5	Low	58.6	Low	129 Å²	129	134.1 Å²	134.1	60%	0.603	59%	0.588	S	S	*	*	H	α-helix	trans	-61.2	-43.4	176	-175.6	-176.7	-158.4	0	0	111.6	P209 R215 E216 R217	P209-E213 VanDerWaalsContact O-CB 3.28Å; P209-E213 WeakPolarHBondContact O-CB 3.44Å; P209-E213 PolarHBondContact O-N 3.31Å; E213-R215 VanDerWaalsContact C-N 3.3Å; E213-R215 PolarHBondContact O-N 3.39Å; E213-E216 PolarHBondContact O-N 2.81Å; E213-R217 WeakPolarHBondContact O-CB 3.06Å; E213-R217 PolarHBondContact O-N 2.81Å
214	R	65.1	Low	58.3	Low	180 Å²	180	130.7 Å²	130.7	68%	0.679	58%	0.58	S	S	*	*	H	α-helix	trans	-59.4	-39.9	174.2	-78.3	169.7	-177.7	-160.3	2.6	112.3	Q210 E211 R212 R218	Q210-R214 WeakPolarHBondContact O-CB 3.38Å; Q210-R214 WeakPolarHBondContact O-CD 3.42Å; Q210-R214 WeakPolarHBondContact O-CG 3.49Å; Q210-R214 PolarHBondContact O-N 3.25Å; E211-R214 PolarHBondContact O-N 3.28Å; R212-R214 PolarHBondContact O-N 2.98Å; R214-R218 WeakPolarHBondContact O-CB 3.27Å; R214-R218 PolarHBondContact O-N 3.38Å
215	R	67.3	Low	58	Low	143 Å²	143	128.5 Å²	128.5	54%	0.54	58%	0.58	S	S	.	*	H	α-helix	trans	-68.1	-51.5	177	-178.5	-176.9	169.6	157.6	6.2	111.6	E211 R212 E213 R217 R218 E219	E211-R215 WeakPolarHBondContact O-CB 3.42Å; E211-R215 PolarHBondContact O-N 3.41Å; R212-R215 PolarHBondContact O-N 3.37Å; E213-R215 VanDerWaalsContact C-N 3.3Å; E213-R215 PolarHBondContact O-N 3.39Å; R215-R217 PolarHBondContact O-N 2.72Å; R215-R218 PolarHBondContact O-N 3.32Å; R215-E219 IonicContact CZ-OE1 2.71Å; R215-E219 VanDerWaalsContact CZ-OE1 3.28Å; R215-E219 IonicContact NE-OE1 3.88Å; R215-E219 PolarHBondContact NE-OE1 3.19Å; R215-E219 IonicContact NH2-OE1 2.7Å; R215-E219 PolarHBondContact NH2-OE1 3.4Å; R215-E219 PolarHBondContact O-N 2.81Å
216	E	64.9	Low	57.9	Low	101 Å²	101	125.4 Å²	125.4	47%	0.472	57%	0.567	S	S	.	*	H	α-helix	trans	-58	-38	177.1	-71.2	-179	-169.3	0	0	110.7	R212 E213 R220	R212-E216 HydrophobicContact CG-CG 4.48Å; R212-E216 IonicContact CZ-OE1 2.77Å; R212-E216 VanDerWaalsContact CZ-OE1 3.29Å; R212-E216 IonicContact NE-OE1 2.62Å; R212-E216 PolarHBondContact NE-OE1 3.13Å; R212-E216 IonicContact NH2-OE1 3.58Å; R212-E216 PolarHBondContact NH2-OE1 2.83Å; R212-E216 WeakPolarHBondContact O-CG 3.47Å; R212-E216 PolarHBondContact O-N 2.8Å; E213-E216 PolarHBondContact O-N 2.81Å; E216-R220 VanDerWaalsContact O-CB 3.28Å; E216-R220 WeakPolarHBondContact O-CB 3.31Å; E216-R220 PolarHBondContact O-N 2.97Å
217	R	63.4	Low	57.9	Low	170 Å²	170	121.4 Å²	121.4	64%	0.642	56%	0.563	S	S	*	*	H	α-helix	trans	-68.7	-32.6	173.9	-171	174.4	-176.9	179.4	1.5	113.9	E213 R215 R220 M221	E213-R217 WeakPolarHBondContact O-CB 3.06Å; E213-R217 PolarHBondContact O-N 2.81Å; R215-R217 PolarHBondContact O-N 2.72Å; R217-R220 WeakPolarHBondContact O-CB 3.4Å; R217-R220 PolarHBondContact O-N 2.74Å; R217-M221 PolarHBondContact O-N 2.87Å
218	R	64.8	Low	58.1	Low	171 Å²	171	125.6 Å²	125.6	65%	0.645	59%	0.588	S	S	*	*	H	α-helix	trans	-73.3	-47.8	176.2	-168.1	176.7	-171.4	162.2	6	111.5	R214 R215 R220 M221 E222	R214-R218 WeakPolarHBondContact O-CB 3.27Å; R214-R218 PolarHBondContact O-N 3.38Å; R215-R218 PolarHBondContact O-N 3.32Å; R218-R220 PolarHBondContact O-N 2.79Å; R218-M221 PolarHBondContact O-N 2.98Å; R218-E222 IonicContact NE-OE1 2.76Å; R218-E222 WeakPolarHBondContact O-CG 3.14Å; R218-E222 PolarHBondContact O-N 3.2Å
219	E	60.4	Low	57.8	Low	67 Å²	67	127.8 Å²	127.8	31%	0.313	60%	0.596	S	S	.	*	H	α-helix	trans	-61.7	-25.5	172.4	-67.1	-176.1	-163.4	0	0	111.8	R215 R223	R215-E219 IonicContact CZ-OE1 2.71Å; R215-E219 VanDerWaalsContact CZ-OE1 3.28Å; R215-E219 IonicContact NE-OE1 3.88Å; R215-E219 PolarHBondContact NE-OE1 3.19Å; R215-E219 IonicContact NH2-OE1 2.7Å; R215-E219 PolarHBondContact NH2-OE1 3.4Å; R215-E219 PolarHBondContact O-N 2.81Å; E219-R223 WeakPolarHBondContact O-CG 3.32Å; E219-R223 PolarHBondContact O-N 3.25Å; E219-R223 IonicContact OE2-NH2 3.99Å
220	R	61.8	Low	57.8	Low	159 Å²	159	127.1 Å²	127.1	60%	0.6	59%	0.586	S	S	*	*	H	α-helix	trans	-72.9	-49.7	171.2	-160.8	-168.9	-140.4	-118.8	12.4	112.7	E216 R217 R218 E222 R223 E224	E216-R220 VanDerWaalsContact O-CB 3.28Å; E216-R220 WeakPolarHBondContact O-CB 3.31Å; E216-R220 PolarHBondContact O-N 2.97Å; R217-R220 WeakPolarHBondContact O-CB 3.4Å; R217-R220 PolarHBondContact O-N 2.74Å; R218-R220 PolarHBondContact O-N 2.79Å; R220-E222 VanDerWaalsContact C-N 3.28Å; R220-E222 PolarHBondContact O-N 2.92Å; R220-R223 PolarHBondContact O-N 3.16Å; R220-E224 WeakPolarHBondContact CD-OE1 3.45Å; R220-E224 HydrophobicContact CG-CG 4.42Å; R220-E224 WeakPolarHBondContact CG-OE1 3.41Å; R220-E224 IonicContact CZ-OE1 2.88Å; R220-E224 IonicContact NE-OE1 3.28Å; R220-E224 IonicContact NH1-OE1 3.8Å; R220-E224 PolarHBondContact NH1-OE1 3.24Å; R220-E224 WeakPolarHBondContact O-CG 3.3Å; R220-E224 PolarHBondContact O-N 3.03Å
221	M	54.7	Low	57.7	Low	100 Å²	100	129.1 Å²	129.1	49%	0.493	60%	0.596	S	S	.	*	H	α-helix	trans	-62.4	-35.4	177.9	-72.5	-168.1	-56.3	0	0	112.3	R217 R218 R223 E224 T225	R217-M221 PolarHBondContact O-N 2.87Å; R218-M221 PolarHBondContact O-N 2.98Å; M221-R223 VanDerWaalsContact C-N 3.27Å; M221-R223 PolarHBondContact O-N 2.84Å; M221-E224 PolarHBondContact O-N 3.03Å; M221-T225 PolarHBondContact O-N 3.09Å; M221-T225 PolarHBondContact O-OG1 3.19Å
222	E	55.1	Low	57.8	Low	112 Å²	112	129 Å²	129	52%	0.523	60%	0.595	S	S	.	*	H	α-helix	trans	-64.9	-29.1	174.9	-73.4	169.8	-170.3	0	0	112.4	R218 R220	R218-E222 IonicContact NE-OE1 2.76Å; R218-E222 WeakPolarHBondContact O-CG 3.14Å; R218-E222 PolarHBondContact O-N 3.2Å; R220-E222 VanDerWaalsContact C-N 3.28Å; R220-E222 PolarHBondContact O-N 2.92Å
223	R	56.3	Low	58.1	Low	154 Å²	154	123.9 Å²	123.9	58%	0.581	59%	0.585	S	S	*	*	H	α-helix	trans	-79.4	-44	170.2	-68.1	174	-164.3	149.1	15.7	112.4	E219 R220 M221 T225 N226	E219-R223 WeakPolarHBondContact O-CG 3.32Å; E219-R223 PolarHBondContact O-N 3.25Å; E219-R223 IonicContact OE2-NH2 3.99Å; R220-R223 PolarHBondContact O-N 3.16Å; M221-R223 VanDerWaalsContact C-N 3.27Å; M221-R223 PolarHBondContact O-N 2.84Å; R223-T225 PolarHBondContact O-N 2.95Å; R223-T225 VanDerWaalsContact O-N 3.14Å; R223-N226 PolarHBondContact O-N 3.1Å
224	E	52.7	Low	58.1	Low	115 Å²	115	125.3 Å²	125.3	54%	0.537	59%	0.585	S	S	.	*	H	α-helix	trans	-60.5	-21.3	177.4	-70.1	167.4	173.7	0	0	112.4	R220 M221	R220-E224 WeakPolarHBondContact CD-OE1 3.45Å; R220-E224 HydrophobicContact CG-CG 4.42Å; R220-E224 WeakPolarHBondContact CG-OE1 3.41Å; R220-E224 IonicContact CZ-OE1 2.88Å; R220-E224 IonicContact NE-OE1 3.28Å; R220-E224 IonicContact NH1-OE1 3.8Å; R220-E224 PolarHBondContact NH1-OE1 3.24Å; R220-E224 WeakPolarHBondContact O-CG 3.3Å; R220-E224 PolarHBondContact O-N 3.03Å; M221-E224 PolarHBondContact O-N 3.03Å
225	T	50.8	Low	58.2	Low	113 Å²	113	122.7 Å²	122.7	69%	0.693	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-25.5	174.6	-52.8	0	0	0	0	113.4	M221 R223 G227	M221-T225 PolarHBondContact O-N 3.09Å; M221-T225 PolarHBondContact O-OG1 3.19Å; R223-T225 PolarHBondContact O-N 2.95Å; R223-T225 VanDerWaalsContact O-N 3.14Å; T225-G227 PolarHBondContact O-N 2.7Å
226	N	53	Low	58.5	Low	109 Å²	109	121.1 Å²	121.1	58%	0.583	58%	0.578	S	S	*	*	S	Bend	trans	-99.7	74.8	-178.3	-79.6	-27.2	0	0	0	111.3	R223 N228	R223-N226 PolarHBondContact O-N 3.1Å; N226-N228 PolarHBondContact O-N 3.22Å
227	G	50.9	Low	58.9	Low	72 Å²	72	121.6 Å²	121.6	74%	0.742	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	40.7	-171.2	0	0	0	0	0	118.4	T225	T225-G227 PolarHBondContact O-N 2.7Å
228	N	51.3	Low	59.3	Low	162 Å²	162	121.8 Å²	121.8	87%	0.866	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.6	-13.3	173.4	-96.2	-18.4	0	0	0	114.2	N226 D230	N226-N228 PolarHBondContact O-N 3.22Å; N228-D230 VanDerWaalsContact C-N 3.32Å; N228-D230 PolarHBondContact O-N 3.33Å
229	E	50.8	Low	59.9	Low	131 Å²	131	117.6 Å²	117.6	61%	0.612	57%	0.571	S	S	*	*	S	Bend	trans	-81.8	-9.8	-178.8	-62.1	-166.9	155.1	0	0	113.9	E231 E232 G233	E229-E231 PolarHBondContact O-N 2.93Å; E229-E232 PolarHBondContact O-N 3.08Å; E229-G233 PolarHBondContact O-N 3.03Å
230	D	58.5	Low	60.9	Low	93 Å²	93	120.7 Å²	120.7	50%	0.497	59%	0.586	S	S	.	*	H	α-helix	trans	-72.7	-30.9	-163.2	-153.4	8.9	0	0	0	113.3	N228 R234	N228-D230 VanDerWaalsContact C-N 3.32Å; N228-D230 PolarHBondContact O-N 3.33Å; D230-R234 WeakPolarHBondContact O-CB 3.38Å; D230-R234 WeakPolarHBondContact O-CD 3.09Å; D230-R234 WeakPolarHBondContact O-CG 3.49Å; D230-R234 PolarHBondContact O-N 3.21Å; D230-R234 IonicContact OD1-CZ 2.82Å; D230-R234 IonicContact OD1-NE 3.06Å; D230-R234 PolarHBondContact OD1-NE 2.94Å; D230-R234 VanDerWaalsContact OD1-NE 3.08Å; D230-R234 IonicContact OD1-NH2 3.32Å; D230-R234 IonicContact OD2-CZ 2.67Å; D230-R234 IonicContact OD2-NE 2.7Å; D230-R234 PolarHBondContact OD2-NE 3.29Å; D230-R234 IonicContact OD2-NH2 3.71Å; D230-R234 PolarHBondContact OD2-NH2 3.07Å
231	E	54.2	Low	62	Low	163 Å²	163	120 Å²	120	76%	0.762	59%	0.587	S	S	*	*	H	α-helix	trans	-71.8	-45.7	174.8	-68.1	-157	132.7	0	0	112.7	E229 G233 R234 Q235	E229-E231 PolarHBondContact O-N 2.93Å; E231-G233 VanDerWaalsContact C-N 3.32Å; E231-G233 PolarHBondContact O-N 3.33Å; E231-R234 PolarHBondContact O-N 3.39Å; E231-Q235 WeakPolarHBondContact O-CB 3.32Å; E231-Q235 PolarHBondContact O-N 3.05Å
232	E	57.4	Low	63.5	Low	126 Å²	126	116.5 Å²	116.5	59%	0.589	57%	0.57	S	S	*	*	H	α-helix	trans	-61.6	-40.2	177.9	-85.2	-156.7	-158.3	0	0	112	E229 Q235 K236	E229-E232 PolarHBondContact O-N 3.08Å; E232-Q235 PolarHBondContact O-N 3.39Å; E232-K236 WeakPolarHBondContact O-CD 3.41Å; E232-K236 VanDerWaalsContact O-CG 3.28Å; E232-K236 WeakPolarHBondContact O-CG 3.35Å; E232-K236 PolarHBondContact O-N 3.27Å; E232-K236 WeakPolarHBondContact OE2-CE 3.28Å; E232-K236 IonicContact OE2-NZ 3.79Å; E232-K236 PolarHBondContact OE2-NZ 3.14Å
233	G	66.4	Low	65	Low	31 Å²	31	116 Å²	116	32%	0.32	57%	0.566	S	S	.	*	H	α-helix	trans	-60.7	-49.6	175.1	0	0	0	0	0	111.9	E229 E231 Q235 K236 I237	E229-G233 PolarHBondContact O-N 3.03Å; E231-G233 VanDerWaalsContact C-N 3.32Å; E231-G233 PolarHBondContact O-N 3.33Å; G233-Q235 VanDerWaalsContact C-N 3.32Å; G233-Q235 PolarHBondContact O-N 3.49Å; G233-K236 PolarHBondContact O-N 3.08Å; G233-I237 WeakPolarHBondContact O-CD1 3.31Å; G233-I237 VanDerWaalsContact O-CG1 3.29Å; G233-I237 WeakPolarHBondContact O-CG1 3.4Å; G233-I237 PolarHBondContact O-N 3Å; G233-I237 VanDerWaalsContact O-N 3.09Å
234	R	60.9	Low	66.6	Low	159 Å²	159	112.4 Å²	112.4	60%	0.6	57%	0.565	S	S	*	*	H	α-helix	trans	-61.8	-38	177.4	-68.9	164.4	-169.1	-147.1	2.4	112.2	D230 E231 R238	D230-R234 WeakPolarHBondContact O-CB 3.38Å; D230-R234 WeakPolarHBondContact O-CD 3.09Å; D230-R234 WeakPolarHBondContact O-CG 3.49Å; D230-R234 PolarHBondContact O-N 3.21Å; D230-R234 IonicContact OD1-CZ 2.82Å; D230-R234 IonicContact OD1-NE 3.06Å; D230-R234 PolarHBondContact OD1-NE 2.94Å; D230-R234 VanDerWaalsContact OD1-NE 3.08Å; D230-R234 IonicContact OD1-NH2 3.32Å; D230-R234 IonicContact OD2-CZ 2.67Å; D230-R234 IonicContact OD2-NE 2.7Å; D230-R234 PolarHBondContact OD2-NE 3.29Å; D230-R234 IonicContact OD2-NH2 3.71Å; D230-R234 PolarHBondContact OD2-NH2 3.07Å; E231-R234 PolarHBondContact O-N 3.39Å; R234-R238 WeakPolarHBondContact O-CB 3.22Å; R234-R238 PolarHBondContact O-N 2.84Å
235	Q	67.4	Low	68.2	Low	126 Å²	126	110.3 Å²	110.3	59%	0.589	55%	0.554	S	S	*	*	H	α-helix	trans	-69	-43.9	179.2	-173.5	156.3	-12.4	0	0	112.2	E231 E232 G233 I237 R238 E239	E231-Q235 WeakPolarHBondContact O-CB 3.32Å; E231-Q235 PolarHBondContact O-N 3.05Å; E232-Q235 PolarHBondContact O-N 3.39Å; G233-Q235 VanDerWaalsContact C-N 3.32Å; G233-Q235 PolarHBondContact O-N 3.49Å; Q235-I237 PolarHBondContact O-N 3.38Å; Q235-R238 WeakPolarHBondContact O-CB 3.33Å; Q235-R238 PolarHBondContact O-N 3.47Å; Q235-R238 VanDerWaalsContact O-N 3.14Å; Q235-E239 PolarHBondContact O-N 3.15Å
236	K	73	Confident	70	Confident	110 Å²	110	108.9 Å²	108.9	48%	0.478	54%	0.539	S	S	.	.	H	α-helix	trans	-59.6	-45.2	174.6	-69.7	160.4	-167.2	164.1	0	111.5	E232 G233 R238 E239 E240	E232-K236 WeakPolarHBondContact O-CD 3.41Å; E232-K236 VanDerWaalsContact O-CG 3.28Å; E232-K236 WeakPolarHBondContact O-CG 3.35Å; E232-K236 PolarHBondContact O-N 3.27Å; E232-K236 WeakPolarHBondContact OE2-CE 3.28Å; E232-K236 IonicContact OE2-NZ 3.79Å; E232-K236 PolarHBondContact OE2-NZ 3.14Å; G233-K236 PolarHBondContact O-N 3.08Å; K236-R238 VanDerWaalsContact C-N 3.32Å; K236-R238 PolarHBondContact O-N 2.76Å; K236-E239 PolarHBondContact O-N 3.4Å; K236-E240 WeakPolarHBondContact O-CG 3.13Å; K236-E240 PolarHBondContact O-N 3.34Å
237	I	73.2	Confident	71.6	Confident	111 Å²	111	108.4 Å²	108.4	57%	0.569	54%	0.536	S	S	*	.	H	α-helix	trans	-61.1	-38.9	175	-67.6	164.9	0	0	0	111.7	G233 Q235 E240 K241	G233-I237 WeakPolarHBondContact O-CD1 3.31Å; G233-I237 VanDerWaalsContact O-CG1 3.29Å; G233-I237 WeakPolarHBondContact O-CG1 3.4Å; G233-I237 PolarHBondContact O-N 3Å; G233-I237 VanDerWaalsContact O-N 3.09Å; Q235-I237 PolarHBondContact O-N 3.38Å; I237-E240 PolarHBondContact O-N 3.34Å; I237-K241 WeakPolarHBondContact O-CB 3.41Å; I237-K241 PolarHBondContact O-N 3.05Å
238	R	72.7	Confident	73.3	Confident	173 Å²	173	110.8 Å²	110.8	65%	0.653	53%	0.528	S	S	*	.	H	α-helix	trans	-65.2	-47	177.6	-161.2	176.6	-165	-178.8	2.2	110.9	R234 Q235 K236 E240 K241 D242	R234-R238 WeakPolarHBondContact O-CB 3.22Å; R234-R238 PolarHBondContact O-N 2.84Å; Q235-R238 WeakPolarHBondContact O-CB 3.33Å; Q235-R238 PolarHBondContact O-N 3.47Å; Q235-R238 VanDerWaalsContact O-N 3.14Å; K236-R238 VanDerWaalsContact C-N 3.32Å; K236-R238 PolarHBondContact O-N 2.76Å; R238-E240 PolarHBondContact O-N 3.46Å; R238-K241 WeakPolarHBondContact O-CB 3.2Å; R238-K241 PolarHBondContact O-N 3.48Å; R238-D242 PolarHBondContact O-N 2.95Å; R238-D242 VanDerWaalsContact O-OD2 3.1Å
239	E	76.5	Confident	74.9	Confident	83 Å²	83	104.7 Å²	104.7	39%	0.388	50%	0.5	S	S	.	.	H	α-helix	trans	-60.5	-42.2	175.2	-75.7	-173.9	-145.4	0	0	113.2	Q235 K236 K241 D242 K243	Q235-E239 PolarHBondContact O-N 3.15Å; K236-E239 PolarHBondContact O-N 3.4Å; E239-K241 VanDerWaalsContact C-N 3.35Å; E239-D242 PolarHBondContact O-N 2.87Å; E239-K243 WeakPolarHBondContact O-CB 3.4Å; E239-K243 WeakPolarHBondContact O-CD 3.43Å; E239-K243 WeakPolarHBondContact O-CG 3.43Å; E239-K243 PolarHBondContact O-N 3.27Å; E239-K243 IonicContact OE2-NZ 3.19Å; E239-K243 PolarHBondContact OE2-NZ 3.02Å
240	E	82	Confident	76.7	Confident	133 Å²	133	102.3 Å²	102.3	62%	0.621	49%	0.49	S	S	*	.	H	α-helix	trans	-63.6	-41.2	176.3	-74.4	179.8	173.5	0	0	111.8	K236 I237 R238 D242 K243 S244	K236-E240 WeakPolarHBondContact O-CG 3.13Å; K236-E240 PolarHBondContact O-N 3.34Å; I237-E240 PolarHBondContact O-N 3.34Å; R238-E240 PolarHBondContact O-N 3.46Å; E240-D242 VanDerWaalsContact C-N 3.28Å; E240-D242 PolarHBondContact O-N 3.45Å; E240-K243 PolarHBondContact O-N 3.06Å; E240-S244 VanDerWaalsContact O-CB 3.23Å; E240-S244 WeakPolarHBondContact O-CB 3.4Å; E240-S244 PolarHBondContact O-N 2.82Å
241	K	83.6	Confident	78	Confident	143 Å²	143	103.9 Å²	103.9	62%	0.622	49%	0.493	S	S	*	.	H	α-helix	trans	-62.8	-35.5	174	-172.1	173.8	-175.7	174.4	0	112.1	I237 R238 E239 K245	I237-K241 WeakPolarHBondContact O-CB 3.41Å; I237-K241 PolarHBondContact O-N 3.05Å; R238-K241 WeakPolarHBondContact O-CB 3.2Å; R238-K241 PolarHBondContact O-N 3.48Å; E239-K241 VanDerWaalsContact C-N 3.35Å; K241-K245 PolarHBondContact O-N 3.34Å
242	D	86.6	Confident	79.3	Confident	27 Å²	27	99.3 Å²	99.3	14%	0.144	47%	0.472	C	S	.	.	H	α-helix	trans	-73.6	-46.4	177	-67.3	-36	0	0	0	112.4	R238 E239 E240 S244 K245 E246 K291	R238-D242 PolarHBondContact O-N 2.95Å; R238-D242 VanDerWaalsContact O-OD2 3.1Å; E239-D242 PolarHBondContact O-N 2.87Å; E240-D242 VanDerWaalsContact C-N 3.28Å; E240-D242 PolarHBondContact O-N 3.45Å; D242-S244 PolarHBondContact O-N 2.95Å; D242-K245 WeakPolarHBondContact O-CB 3.25Å; D242-K245 PolarHBondContact O-N 3.32Å; D242-K245 VanDerWaalsContact O-N 3.12Å; D242-E246 WeakPolarHBondContact O-CB 3.3Å; D242-E246 PolarHBondContact O-N 3.22Å; D242-K291 IonicContact OD1-NZ 2.78Å; D242-K291 PolarHBondContact OD1-NZ 3.05Å; D242-K291 IonicContact OD2-NZ 2.72Å; D242-K291 PolarHBondContact OD2-NZ 2.91Å
243	K	87.4	Confident	80.6	Confident	102 Å²	102	102.4 Å²	102.4	44%	0.443	48%	0.478	S	S	.	.	H	α-helix	trans	-58.6	-37.1	173	-67.3	157.8	-166.4	167.5	0	110.9	E239 E240 E246 L247	E239-K243 WeakPolarHBondContact O-CB 3.4Å; E239-K243 WeakPolarHBondContact O-CD 3.43Å; E239-K243 WeakPolarHBondContact O-CG 3.43Å; E239-K243 PolarHBondContact O-N 3.27Å; E239-K243 IonicContact OE2-NZ 3.19Å; E239-K243 PolarHBondContact OE2-NZ 3.02Å; E240-K243 PolarHBondContact O-N 3.06Å; K243-E246 PolarHBondContact O-N 2.84Å; K243-L247 WeakPolarHBondContact O-CB 3.42Å; K243-L247 WeakPolarHBondContact O-CD1 3.32Å; K243-L247 VanDerWaalsContact O-CG 3.3Å; K243-L247 WeakPolarHBondContact O-CG 3.48Å; K243-L247 PolarHBondContact O-N 2.73Å
244	S	88.3	Confident	81.3	Confident	78 Å²	78	108.3 Å²	108.3	55%	0.545	49%	0.492	S	S	.	.	H	α-helix	trans	-66.8	-44.6	173.3	-173.2	0	0	0	0	112.7	E240 D242 E246 L247 H248	E240-S244 VanDerWaalsContact O-CB 3.23Å; E240-S244 WeakPolarHBondContact O-CB 3.4Å; E240-S244 PolarHBondContact O-N 2.82Å; D242-S244 PolarHBondContact O-N 2.95Å; S244-E246 PolarHBondContact O-N 2.93Å; S244-L247 PolarHBondContact O-N 2.7Å; S244-H248 WeakPolarHBondContact O-CB 3.35Å; S244-H248 PolarHBondContact O-N 2.69Å
245	K	86.7	Confident	82.4	Confident	72 Å²	72	107.6 Å²	107.6	31%	0.313	50%	0.499	S	S	.	.	H	α-helix	trans	-60.2	-42	172	-85.6	-176.7	171.1	-174.1	0	112.6	K241 D242 H248 A249 I284 D285 Y286	K241-K245 PolarHBondContact O-N 3.34Å; D242-K245 WeakPolarHBondContact O-CB 3.25Å; D242-K245 PolarHBondContact O-N 3.32Å; D242-K245 VanDerWaalsContact O-N 3.12Å; K245-H248 WeakPolarHBondContact O-CB 3.24Å; K245-H248 PolarHBondContact O-N 3.39Å; K245-A249 WeakPolarHBondContact O-CB 3.37Å; K245-A249 PolarHBondContact O-N 2.9Å; K245-I284 PolarHBondContact NZ-O 2.84Å; K245-D285 PolarHBondContact NZ-O 2.64Å; K245-Y286 HydrophobicContact CB-CD1 4.23Å; K245-Y286 HydrophobicContact CB-CG 4.17Å
246	E	88.8	Confident	82.2	Confident	82 Å²	82	104.5 Å²	104.5	38%	0.383	50%	0.501	S	S	.	.	H	α-helix	trans	-61.2	-51.5	177.6	-178.5	167.1	-145.1	0	0	110.9	D242 K243 S244 H248 A249 I250 Y286	D242-E246 WeakPolarHBondContact O-CB 3.3Å; D242-E246 PolarHBondContact O-N 3.22Å; K243-E246 PolarHBondContact O-N 2.84Å; S244-E246 PolarHBondContact O-N 2.93Å; E246-H248 VanDerWaalsContact C-N 3.26Å; E246-H248 PolarHBondContact O-N 3.4Å; E246-A249 PolarHBondContact O-N 2.81Å; E246-A249 VanDerWaalsContact O-N 3.12Å; E246-I250 HydrophobicContact CG-CD1 3.99Å; E246-I250 WeakPolarHBondContact O-CG1 3.48Å; E246-I250 PolarHBondContact O-N 3.48Å; E246-Y286 HydrophobicContact CB-CD2 3.51Å; E246-Y286 HydrophobicContact CB-CE2 3.77Å; E246-Y286 HydrophobicContact CB-CG 4.24Å; E246-Y286 HydrophobicContact CG-CD2 3.93Å; E246-Y286 HydrophobicContact CG-CE2 3.73Å
247	L	87.5	Confident	81.8	Confident	99 Å²	99	100.8 Å²	100.8	52%	0.518	49%	0.494	S	S	.	.	H	α-helix	trans	-59.4	-35.7	174.4	-73.1	166.2	0	0	0	112.2	K243 S244 K251	K243-L247 WeakPolarHBondContact O-CB 3.42Å; K243-L247 WeakPolarHBondContact O-CD1 3.32Å; K243-L247 VanDerWaalsContact O-CG 3.3Å; K243-L247 WeakPolarHBondContact O-CG 3.48Å; K243-L247 PolarHBondContact O-N 2.73Å; S244-L247 PolarHBondContact O-N 2.7Å; L247-K251 WeakPolarHBondContact O-CB 3.34Å; L247-K251 WeakPolarHBondContact O-CD 3.49Å; L247-K251 WeakPolarHBondContact O-CG 3.39Å; L247-K251 PolarHBondContact O-N 3.18Å
248	H	85.6	Confident	81.2	Confident	122 Å²	122	103.4 Å²	103.4	57%	0.565	51%	0.507	S	S	*	.	H	α-helix	trans	-67.3	-43.8	173.5	-170.5	-42.2	0	0	0	111.9	S244 K245 E246 I250 K251 E252	S244-H248 WeakPolarHBondContact O-CB 3.35Å; S244-H248 PolarHBondContact O-N 2.69Å; K245-H248 WeakPolarHBondContact O-CB 3.24Å; K245-H248 PolarHBondContact O-N 3.39Å; E246-H248 VanDerWaalsContact C-N 3.26Å; E246-H248 PolarHBondContact O-N 3.4Å; H248-I250 VanDerWaalsContact C-N 3.33Å; H248-I250 PolarHBondContact O-N 3.2Å; H248-K251 PolarHBondContact O-N 3.41Å; H248-E252 IonicContact CE1-OE2 3.82Å; H248-E252 VanDerWaalsContact O-CB 3.3Å; H248-E252 WeakPolarHBondContact O-CB 3.43Å; H248-E252 PolarHBondContact O-N 2.93Å
249	A	85.6	Confident	80.5	Confident	35 Å²	35	103.4 Å²	103.4	29%	0.289	51%	0.512	S	S	.	.	H	α-helix	trans	-64.6	-38.4	178.6	0	0	0	0	0	111.9	K245 E246 R253 Y286	K245-A249 WeakPolarHBondContact O-CB 3.37Å; K245-A249 PolarHBondContact O-N 2.9Å; E246-A249 PolarHBondContact O-N 2.81Å; E246-A249 VanDerWaalsContact O-N 3.12Å; A249-R253 VanDerWaalsContact O-CB 3.32Å; A249-R253 WeakPolarHBondContact O-CB 3.4Å; A249-R253 PolarHBondContact O-N 3.27Å; A249-R253 VanDerWaalsContact O-N 3.15Å; A249-Y286 HydrophobicContact CB-CE1 3.93Å
250	I	87.6	Confident	79.5	Confident	80 Å²	80	109 Å²	109	41%	0.41	54%	0.535	S	S	.	.	H	α-helix	trans	-64.1	-49	173.2	-67.4	166.3	0	0	0	110.5	E246 H248 R253 Y254	E246-I250 HydrophobicContact CG-CD1 3.99Å; E246-I250 WeakPolarHBondContact O-CG1 3.48Å; E246-I250 PolarHBondContact O-N 3.48Å; H248-I250 VanDerWaalsContact C-N 3.33Å; H248-I250 PolarHBondContact O-N 3.2Å; I250-R253 PolarHBondContact O-N 2.89Å; I250-Y254 HydrophobicContact CG2-CD2 3.94Å; I250-Y254 HydrophobicContact CG2-CE2 4.19Å; I250-Y254 VanDerWaalsContact O-CD2 3.23Å; I250-Y254 WeakPolarHBondContact O-CD2 3.34Å; I250-Y254 PolarHBondContact O-N 3.02Å
251	K	86.4	Confident	78.1	Confident	126 Å²	126	114.2 Å²	114.2	55%	0.548	55%	0.549	S	S	.	.	H	α-helix	trans	-60.4	-48.4	178.1	-75.4	169.9	-178.5	-179.4	0	112.2	L247 H248 R253 Y254 L255	L247-K251 WeakPolarHBondContact O-CB 3.34Å; L247-K251 WeakPolarHBondContact O-CD 3.49Å; L247-K251 WeakPolarHBondContact O-CG 3.39Å; L247-K251 PolarHBondContact O-N 3.18Å; H248-K251 PolarHBondContact O-N 3.41Å; K251-R253 VanDerWaalsContact C-N 3.26Å; K251-R253 PolarHBondContact O-N 3.44Å; K251-Y254 PolarHBondContact O-N 3.13Å; K251-L255 HydrophobicContact CB-CD1 4.24Å; K251-L255 HydrophobicContact CG-CD1 4.11Å; K251-L255 VanDerWaalsContact O-CB 3.31Å; K251-L255 WeakPolarHBondContact O-CB 3.49Å; K251-L255 PolarHBondContact O-N 3.49Å
252	E	82.8	Confident	77	Confident	68 Å²	68	115.9 Å²	115.9	32%	0.318	55%	0.552	S	S	.	*	H	α-helix	trans	-56.4	-41.3	178.4	-174.1	68.9	-160.5	0	0	111.7	H248 G257	H248-E252 IonicContact CE1-OE2 3.82Å; H248-E252 VanDerWaalsContact O-CB 3.3Å; H248-E252 WeakPolarHBondContact O-CB 3.43Å; H248-E252 PolarHBondContact O-N 2.93Å; E252-G257 WeakPolarHBondContact OE1-CA 3.36Å; E252-G257 WeakPolarHBondContact OE2-CA 3.48Å
253	R	84.3	Confident	75.5	Confident	190 Å²	190	126 Å²	126	72%	0.717	59%	0.588	S	S	*	*	H	α-helix	trans	-69.5	-38.9	-178.1	179.5	175.9	177.2	167.5	-0.2	113.9	A249 I250 K251	A249-R253 VanDerWaalsContact O-CB 3.32Å; A249-R253 WeakPolarHBondContact O-CB 3.4Å; A249-R253 PolarHBondContact O-N 3.27Å; A249-R253 VanDerWaalsContact O-N 3.15Å; I250-R253 PolarHBondContact O-N 2.89Å; K251-R253 VanDerWaalsContact C-N 3.26Å; K251-R253 PolarHBondContact O-N 3.44Å
254	Y	80.1	Confident	73.9	Confident	156 Å²	156	127.1 Å²	127.1	61%	0.612	60%	0.603	S	S	*	*	H	α-helix	trans	-107.8	-25.1	-170.8	-62.8	-63.4	0	0	0	114.7	I250 K251	I250-Y254 HydrophobicContact CG2-CD2 3.94Å; I250-Y254 HydrophobicContact CG2-CE2 4.19Å; I250-Y254 VanDerWaalsContact O-CD2 3.23Å; I250-Y254 WeakPolarHBondContact O-CD2 3.34Å; I250-Y254 PolarHBondContact O-N 3.02Å; K251-Y254 PolarHBondContact O-N 3.13Å
255	L	83.9	Confident	72.5	Confident	143 Å²	143	130 Å²	130	75%	0.749	60%	0.602	S	S	*	*	H	α-helix	trans	-99.1	-5.3	179.8	-56.2	176.6	0	0	0	113.2	K251	K251-L255 HydrophobicContact CB-CD1 4.24Å; K251-L255 HydrophobicContact CG-CD1 4.11Å; K251-L255 VanDerWaalsContact O-CB 3.31Å; K251-L255 WeakPolarHBondContact O-CB 3.49Å; K251-L255 PolarHBondContact O-N 3.49Å
256	G	64.3	Low	70.9	Confident	62 Å²	62	134.2 Å²	134.2	64%	0.639	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	72.4	72.5	174.5	0	0	0	0	0	113.5
257	G	64.3	Low	69.2	Low	32 Å²	32	138.8 Å²	138.8	33%	0.33	65%	0.649	S	S	.	*			trans	-66.2	150	178.4	0	0	0	0	0	114.3	E252 K259	E252-G257 WeakPolarHBondContact OE1-CA 3.36Å; E252-G257 WeakPolarHBondContact OE2-CA 3.48Å; G257-K259 VanDerWaalsContact C-N 3.34Å; G257-K259 PolarHBondContact O-N 2.59Å
258	I	60.1	Low	67.6	Low	165 Å²	165	141 Å²	141	85%	0.846	66%	0.661	S	S	*	*			trans	-73.3	90.6	172.9	-55.7	176.8	0	0	0	108.3	K260	I258-K260 PolarHBondContact O-N 2.73Å
259	K	57.4	Low	66.3	Low	174 Å²	174	140 Å²	140	76%	0.757	66%	0.66	S	S	*	*			trans	-57.1	97.3	171.1	-71	-176.9	179.5	177	0	110.3	G257 R261	G257-K259 VanDerWaalsContact C-N 3.34Å; G257-K259 PolarHBondContact O-N 2.59Å; K259-R261 PolarHBondContact O-N 2.86Å
260	K	57.2	Low	65.5	Low	200 Å²	200	149.8 Å²	149.8	87%	0.87	69%	0.689	S	S	*	*			trans	-55.1	106.6	162.9	-74.9	-176.3	177.3	178.2	0	107.3	I258 R262	I258-K260 PolarHBondContact O-N 2.73Å; K260-R262 PolarHBondContact O-N 2.69Å; K260-R262 VanDerWaalsContact O-N 3.1Å
261	R	52.5	Low	64.6	Low	242 Å²	242	153.8 Å²	153.8	91%	0.913	70%	0.704	S	S	*	*			trans	-52.6	120.7	174.3	-77.9	-174.9	170.5	-170.1	-3.1	107.8	K259 R263	K259-R261 PolarHBondContact O-N 2.86Å; R261-R263 PolarHBondContact O-N 3.02Å
262	R	58.9	Low	64	Low	179 Å²	179	156.2 Å²	156.2	68%	0.675	72%	0.715	S	S	*	*			trans	-52.7	130.6	165.6	-78	-174.7	167	-159.8	-10	106.6	K260 T264 S279	K260-R262 PolarHBondContact O-N 2.69Å; K260-R262 VanDerWaalsContact O-N 3.1Å; R262-T264 PolarHBondContact O-N 3.05Å; R262-S279 PolarHBondContact NH2-O 3.25Å
263	R	56.2	Low	63.6	Low	240 Å²	240	156.9 Å²	156.9	91%	0.906	72%	0.723	S	S	*	*			trans	-66.9	101.9	173.6	-80.7	-175.6	172.1	-177.4	-2.7	107.5	R261 R265	R261-R263 PolarHBondContact O-N 3.02Å; R263-R265 PolarHBondContact O-N 3.3Å; R263-R265 VanDerWaalsContact O-N 3.11Å
264	T	54.6	Low	63.2	Low	125 Å²	125	157 Å²	157	77%	0.767	73%	0.729	S	S	*	*			trans	-55.9	115.8	163.6	-40.9	0	0	0	0	106.9	R262 H266	R262-T264 PolarHBondContact O-N 3.05Å; T264-H266 PolarHBondContact O-N 3.02Å
265	R	57.7	Low	63.2	Low	137 Å²	137	157.4 Å²	157.4	52%	0.517	74%	0.737	S	S	.	*			trans	-62.8	127.1	178.6	-63.6	-172.6	-168.6	131.5	15.2	107.7	R263 E280	R263-R265 PolarHBondContact O-N 3.3Å; R263-R265 VanDerWaalsContact O-N 3.11Å; R265-E280 IonicContact CZ-OE1 3.29Å; R265-E280 IonicContact NH1-OE1 2.75Å; R265-E280 IonicContact NH2-OE1 2.9Å; R265-E280 PolarHBondContact NH2-OE1 2.92Å
266	H	54	Low	63	Low	161 Å²	161	161.1 Å²	161.1	75%	0.745	74%	0.741	S	S	*	*			trans	-73	150.8	176.4	-77.6	-89.6	0	0	0	109.7	T264 N268 D269	T264-H266 PolarHBondContact O-N 3.02Å; H266-N268 PolarHBondContact O-N 2.81Å; H266-D269 WeakPolarHBondContact O-CB 3.21Å; H266-D269 PolarHBondContact O-N 3.48Å
267	L	52.1	Low	63.8	Low	178 Å²	178	161.8 Å²	161.8	93%	0.932	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.6	-14.8	179.9	-162.2	66.5	0	0	0	114.1
268	N	54.8	Low	64.4	Low	146 Å²	146	164.5 Å²	164.5	78%	0.781	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	4.2	178	-68.4	-6.6	0	0	0	114.3	H266 R270	H266-N268 PolarHBondContact O-N 2.81Å; N268-R270 PolarHBondContact O-N 3.25Å; N268-R270 VanDerWaalsContact O-N 3.08Å
269	D	58.1	Low	65.4	Low	100 Å²	100	160 Å²	160	54%	0.535	73%	0.733	S	S	.	*			trans	-72.6	99.5	179.6	-151.1	-12.5	0	0	0	110.1	H266 K271	H266-D269 WeakPolarHBondContact O-CB 3.21Å; H266-D269 PolarHBondContact O-N 3.48Å; D269-K271 PolarHBondContact O-N 2.73Å
270	R	68.1	Low	66.5	Low	242 Å²	242	154.9 Å²	154.9	91%	0.913	71%	0.711	S	S	*	*			trans	-69.1	-0.4	-163.6	-65.1	-178.6	177.6	164.3	-2.1	115.6	N268	N268-R270 PolarHBondContact O-N 3.25Å; N268-R270 VanDerWaalsContact O-N 3.08Å
271	K	69.8	Low	67.8	Low	163 Å²	163	148.8 Å²	148.8	71%	0.709	69%	0.688	S	S	*	*			trans	-100.5	107.4	179.8	-174	-179.6	179.9	-177.3	0	109.8	D269 V273	D269-K271 PolarHBondContact O-N 2.73Å; K271-V273 HydrophobicContact CD-CG2 4.26Å; K271-V273 HydrophobicContact CG-CG2 4.14Å; K271-V273 PolarHBondContact O-N 2.92Å; K271-V273 VanDerWaalsContact O-N 3.16Å
272	F	73.7	Confident	69.3	Low	178 Å²	178	143.2 Å²	143.2	78%	0.781	68%	0.681	S	S	*	*			trans	-62.6	115.7	164.4	-63.9	-77.4	0	0	0	109.1	F274	F272-F274 HydrophobicContact CB-CD2 4.49Å; F272-F274 HydrophobicContact CB-CE2 3.75Å; F272-F274 HydrophobicContact CB-CZ 3.82Å
273	V	72.8	Confident	70.5	Confident	82 Å²	82	138.1 Å²	138.1	50%	0.497	67%	0.673	S	S	.	*			trans	-107.3	113.6	173.1	-172	0	0	0	0	106.6	K271 E275	K271-V273 HydrophobicContact CD-CG2 4.26Å; K271-V273 HydrophobicContact CG-CG2 4.14Å; K271-V273 PolarHBondContact O-N 2.92Å; K271-V273 VanDerWaalsContact O-N 3.16Å; V273-E275 WeakPolarHBondContact CG1-O 3.43Å
274	F	77.6	Confident	71.8	Confident	192 Å²	192	132 Å²	132	84%	0.842	66%	0.657	S	S	*	*			trans	-87.9	-12.8	-173.9	-64.8	-85.9	0	0	0	113.5	F272	F272-F274 HydrophobicContact CB-CD2 4.49Å; F272-F274 HydrophobicContact CB-CE2 3.75Å; F272-F274 HydrophobicContact CB-CZ 3.82Å
275	E	78.4	Confident	73.2	Confident	165 Å²	165	127.9 Å²	127.9	77%	0.771	63%	0.63	S	S	*	*	S	Bend	trans	-105.3	149.3	174.8	-64.3	-171.2	145.1	0	0	111.4	V273	V273-E275 WeakPolarHBondContact CG1-O 3.43Å
276	W	79.8	Confident	74.5	Confident	221 Å²	221	125 Å²	125	84%	0.837	62%	0.62	S	S	*	*			trans	-74.8	133.3	167.6	-60.4	104.2	0	0	0	109.7
277	D	81.2	Confident	76	Confident	75 Å²	75	119.4 Å²	119.4	40%	0.401	60%	0.596	S	S	.	*			trans	-66.3	136	174.5	175.2	5.5	0	0	0	109.6	S279 E280	D277-S279 PolarHBondContact O-N 2.99Å; D277-S279 VanDerWaalsContact O-N 3.07Å; D277-S279 PolarHBondContact OD1-N 3Å; D277-S279 WeakPolarHBondContact OD2-CB 3.39Å; D277-S279 PolarHBondContact OD2-OG 3.28Å; D277-E280 HydrophobicContact CB-CG 4.23Å; D277-E280 WeakPolarHBondContact O-CA 3.45Å; D277-E280 VanDerWaalsContact O-CB 3.3Å; D277-E280 WeakPolarHBondContact O-CB 3.2Å; D277-E280 PolarHBondContact O-N 2.81Å
278	A	77.1	Confident	77.6	Confident	89 Å²	89	115.1 Å²	115.1	74%	0.736	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-59.3	-18	173.9	0	0	0	0	0	113.1	E280 D281	A278-E280 PolarHBondContact O-N 3.43Å; A278-D281 WeakPolarHBondContact O-CB 3.35Å; A278-D281 PolarHBondContact O-N 3.27Å
279	S	80.3	Confident	79.2	Confident	72 Å²	72	114.3 Å²	114.3	50%	0.503	57%	0.574	S	S	.	*	G	3₁₀ helix	trans	-70.5	-11.8	169.5	89.6	0	0	0	0	114.3	R262 D277	R262-S279 PolarHBondContact NH2-O 3.25Å; D277-S279 PolarHBondContact O-N 2.99Å; D277-S279 VanDerWaalsContact O-N 3.07Å; D277-S279 PolarHBondContact OD1-N 3Å; D277-S279 WeakPolarHBondContact OD2-CB 3.39Å; D277-S279 PolarHBondContact OD2-OG 3.28Å
280	E	81.3	Confident	80.4	Confident	65 Å²	65	116 Å²	116	30%	0.304	57%	0.573	S	S	.	*	G	3₁₀ helix	trans	-93.1	-7.7	176	-58.1	-179.2	-149.7	0	0	112.6	R265 D277 A278	R265-E280 IonicContact CZ-OE1 3.29Å; R265-E280 IonicContact NH1-OE1 2.75Å; R265-E280 IonicContact NH2-OE1 2.9Å; R265-E280 PolarHBondContact NH2-OE1 2.92Å; D277-E280 HydrophobicContact CB-CG 4.23Å; D277-E280 WeakPolarHBondContact O-CA 3.45Å; D277-E280 VanDerWaalsContact O-CB 3.3Å; D277-E280 WeakPolarHBondContact O-CB 3.2Å; D277-E280 PolarHBondContact O-N 2.81Å; A278-E280 PolarHBondContact O-N 3.43Å
281	D	84.5	Confident	81.1	Confident	72 Å²	72	108 Å²	108	39%	0.385	55%	0.545	S	S	.	.			trans	-60.4	140.7	170.4	-179.4	23.5	0	0	0	111.7	A278 S283 I284	A278-D281 WeakPolarHBondContact O-CB 3.35Å; A278-D281 PolarHBondContact O-N 3.27Å; D281-S283 VanDerWaalsContact CG-OG 3.31Å; D281-S283 WeakPolarHBondContact OD1-CB 3.44Å; D281-S283 PolarHBondContact OD1-N 2.89Å; D281-S283 PolarHBondContact OD1-OG 3.38Å; D281-S283 PolarHBondContact OD2-OG 2.97Å; D281-I284 WeakPolarHBondContact OD2-CG2 3.45Å
282	T	85.1	Confident	81.8	Confident	125 Å²	125	108.4 Å²	108.4	77%	0.767	55%	0.55	S	S	*	.			trans	-114.1	-9.8	-177.9	55.5	0	0	0	0	113	I284	T282-I284 VanDerWaalsContact C-N 3.26Å; T282-I284 PolarHBondContact O-N 3.25Å
283	S	84.2	Confident	82.4	Confident	73 Å²	73	106.4 Å²	106.4	51%	0.51	54%	0.537	S	S	.	.			trans	-80.7	-0.2	-176.2	71.8	0	0	0	0	114.7	D281 D285	D281-S283 VanDerWaalsContact CG-OG 3.31Å; D281-S283 WeakPolarHBondContact OD1-CB 3.44Å; D281-S283 PolarHBondContact OD1-N 2.89Å; D281-S283 PolarHBondContact OD1-OG 3.38Å; D281-S283 PolarHBondContact OD2-OG 2.97Å; S283-D285 PolarHBondContact O-N 3.27Å
284	I	81.9	Confident	83.1	Confident	112 Å²	112	109.6 Å²	109.6	57%	0.574	55%	0.546	S	S	*	.			trans	-73.1	48.5	-178	57.3	165.8	0	0	0	114.2	K245 D281 T282	K245-I284 PolarHBondContact NZ-O 2.84Å; D281-I284 WeakPolarHBondContact OD2-CG2 3.45Å; T282-I284 VanDerWaalsContact C-N 3.26Å; T282-I284 PolarHBondContact O-N 3.25Å
285	D	83.9	Confident	83.5	Confident	37 Å²	37	108.2 Å²	108.2	20%	0.198	54%	0.542	C	S	.	.			trans	-56.8	167	177.2	-85.6	-57.8	0	0	0	113.7	K245 S283 Y290 K291 R293	K245-D285 PolarHBondContact NZ-O 2.64Å; S283-D285 PolarHBondContact O-N 3.27Å; D285-Y290 WeakPolarHBondContact OD2-CB 3.39Å; D285-K291 HydrophobicContact CB-CG 4.06Å; D285-K291 WeakPolarHBondContact O-CE 3.45Å; D285-R293 IonicContact OD2-CZ 2.75Å; D285-R293 IonicContact OD2-NH2 3.21Å; D285-R293 PolarHBondContact OD2-NH2 2.96Å
286	Y	85.1	Confident	83.9	Confident	77 Å²	77	105.5 Å²	105.5	30%	0.302	54%	0.537	S	S	.	.	S	Bend	trans	-113.6	-41.9	170	52.7	-90	0	0	0	111.9	K245 E246 A249 K291	K245-Y286 HydrophobicContact CB-CD1 4.23Å; K245-Y286 HydrophobicContact CB-CG 4.17Å; E246-Y286 HydrophobicContact CB-CD2 3.51Å; E246-Y286 HydrophobicContact CB-CE2 3.77Å; E246-Y286 HydrophobicContact CB-CG 4.24Å; E246-Y286 HydrophobicContact CG-CD2 3.93Å; E246-Y286 HydrophobicContact CG-CE2 3.73Å; A249-Y286 HydrophobicContact CB-CE1 3.93Å; Y286-K291 WeakPolarHBondContact O-CE 3.38Å
287	N	86.8	Confident	84.4	Confident	44 Å²	44	97.4 Å²	97.4	24%	0.235	51%	0.508	C	S	.	.	S	Bend	trans	-70	126.8	-178	-178.9	-34.6	0	0	0	110.8	L289 Y290 K291	N287-L289 PolarHBondContact O-N 2.99Å; N287-L289 WeakPolarHBondContact OD1-CB 3.44Å; N287-L289 WeakPolarHBondContact OD1-CG 3.41Å; N287-L289 PolarHBondContact OD1-N 2.73Å; N287-Y290 HydrophobicContact CB-CD2 3.97Å; N287-Y290 PolarHBondContact O-N 3.37Å; N287-K291 PolarHBondContact O-N 2.89Å
288	P	86.1	Confident	84.8	Confident	87 Å²	87	98 Å²	98	57%	0.565	51%	0.511	S	S	*	.	H	α-helix	trans	-59	-31.9	-176.4	23.4	-34.2	0	0	0	113.6	Y290 K291 E292	P288-Y290 PolarHBondContact O-N 3.16Å; P288-K291 PolarHBondContact O-N 2.88Å; P288-E292 PolarHBondContact O-N 2.74Å
289	L	86.8	Confident	85.4	Confident	130 Å²	130	99.4 Å²	99.4	68%	0.681	51%	0.506	S	S	*	.	H	α-helix	trans	-61.9	-25.2	177.5	-57.6	176.5	0	0	0	113.1	N287	N287-L289 PolarHBondContact O-N 2.99Å; N287-L289 WeakPolarHBondContact OD1-CB 3.44Å; N287-L289 WeakPolarHBondContact OD1-CG 3.41Å; N287-L289 PolarHBondContact OD1-N 2.73Å
290	Y	84.4	Confident	85.6	Confident	134 Å²	134	97.4 Å²	97.4	53%	0.525	50%	0.496	S	S	.	.	H	α-helix	trans	-100.7	-6.4	178.4	-64.9	-94.7	0	0	0	112.7	D285 N287 P288 R293	D285-Y290 WeakPolarHBondContact OD2-CB 3.39Å; N287-Y290 HydrophobicContact CB-CD2 3.97Å; N287-Y290 PolarHBondContact O-N 3.37Å; P288-Y290 PolarHBondContact O-N 3.16Å; Y290-R293 WeakPolarHBondContact O-CG 3.36Å; Y290-R293 PolarHBondContact O-NE 3.27Å; Y290-R293 PolarHBondContact O-NH2 2.97Å
291	K	81.7	Confident	85.9	Confident	75 Å²	75	102.2 Å²	102.2	33%	0.326	51%	0.511	S	S	.	.	H	α-helix	trans	-89.8	-59.4	168.1	-63.7	-179.1	176.6	-164.3	0	110.6	D242 D285 Y286 N287 P288 R293	D242-K291 IonicContact OD1-NZ 2.78Å; D242-K291 PolarHBondContact OD1-NZ 3.05Å; D242-K291 IonicContact OD2-NZ 2.72Å; D242-K291 PolarHBondContact OD2-NZ 2.91Å; D285-K291 HydrophobicContact CB-CG 4.06Å; D285-K291 WeakPolarHBondContact O-CE 3.45Å; Y286-K291 WeakPolarHBondContact O-CE 3.38Å; N287-K291 PolarHBondContact O-N 2.89Å; P288-K291 PolarHBondContact O-N 2.88Å; K291-R293 PolarHBondContact O-N 3.46Å; K291-R293 VanDerWaalsContact O-N 3.11Å
292	E	84.8	Confident	86.1	Confident	171 Å²	171	100.5 Å²	100.5	80%	0.799	51%	0.511	S	S	*	.	S	Bend	trans	-90.2	54.5	177.8	-67	174.7	-155.5	0	0	109.3	P288 H294	P288-E292 PolarHBondContact O-N 2.74Å; E292-H294 PolarHBondContact O-N 2.81Å
293	R	86.1	Confident	86.4	Confident	137 Å²	137	97.4 Å²	97.4	52%	0.517	49%	0.487	S	S	.	.			trans	-57.2	123	177.1	-61.6	-179.9	-165.8	-174.4	2.7	108.1	D285 Y290 K291 Q295	D285-R293 IonicContact OD2-CZ 2.75Å; D285-R293 IonicContact OD2-NH2 3.21Å; D285-R293 PolarHBondContact OD2-NH2 2.96Å; Y290-R293 WeakPolarHBondContact O-CG 3.36Å; Y290-R293 PolarHBondContact O-NE 3.27Å; Y290-R293 PolarHBondContact O-NH2 2.97Å; K291-R293 PolarHBondContact O-N 3.46Å; K291-R293 VanDerWaalsContact O-N 3.11Å; R293-Q295 PolarHBondContact O-N 2.72Å
294	H	87.8	Confident	86.6	Confident	149 Å²	149	98.4 Å²	98.4	69%	0.69	49%	0.485	S	S	*	.			trans	-61.4	104.6	-179.4	-170.7	95.4	0	0	0	110.4	E292 Q297	E292-H294 PolarHBondContact O-N 2.81Å; H294-Q297 PolarHBondContact CE1-NE2 3.38Å; H294-Q297 PolarHBondContact NE2-NE2 3.44Å
295	Q	86.1	Confident	87.1	Confident	162 Å²	162	97.5 Å²	97.5	76%	0.757	50%	0.495	S	S	*	.			trans	-64.6	138.2	-177.4	-69.7	148.6	3.2	0	0	109.9	R293 Q297	R293-Q295 PolarHBondContact O-N 2.72Å; Q295-Q297 PolarHBondContact O-N 3.49Å
296	V	88.1	Confident	87.2	Confident	109 Å²	109	100.1 Å²	100.1	66%	0.661	53%	0.531	S	S	*	.			trans	-66.5	104.1	-168.3	-73.5	0	0	0	0	112.2	L298	V296-L298 HydrophobicContact CB-CD2 4.3Å; V296-L298 HydrophobicContact CG2-CD2 4.29Å; V296-L298 HydrophobicContact CG2-CG 4.39Å; V296-L298 PolarHBondContact O-N 2.86Å
297	Q	88.4	Confident	87.3	Confident	51 Å²	51	100.1 Å²	100.1	24%	0.238	54%	0.535	C	S	.	.			trans	-76.4	89.8	172.1	-62.5	179.4	50.1	0	0	109.3	H294 Q295 L299 Y320	H294-Q297 PolarHBondContact CE1-NE2 3.38Å; H294-Q297 PolarHBondContact NE2-NE2 3.44Å; Q295-Q297 PolarHBondContact O-N 3.49Å; Q297-L299 PolarHBondContact O-N 2.87Å; Q297-Y320 HydrophobicContact CB-CD2 4.07Å; Q297-Y320 HydrophobicContact CB-CE2 3.66Å
298	L	90	Very high	87.3	Confident	88 Å²	88	102.1 Å²	102.1	46%	0.461	55%	0.546	S	S	.	.			trans	-69.1	70.4	-177	-62.4	175	0	0	0	111.9	V296 G300 R301 G302	V296-L298 HydrophobicContact CB-CD2 4.3Å; V296-L298 HydrophobicContact CG2-CD2 4.29Å; V296-L298 HydrophobicContact CG2-CG 4.39Å; V296-L298 PolarHBondContact O-N 2.86Å; L298-G300 PolarHBondContact O-N 2.82Å; L298-R301 PolarHBondContact O-N 2.86Å; L298-G302 PolarHBondContact O-N 3.07Å
299	L	90	Very high	87.3	Confident	118 Å²	118	102.2 Å²	102.2	62%	0.618	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	20.9	-175.5	-56.5	176.5	0	0	0	114.6	Q297 R301 Y320	Q297-L299 PolarHBondContact O-N 2.87Å; L299-R301 PolarHBondContact O-N 2.85Å; L299-Y320 HydrophobicContact CD2-CE1 4.41Å
300	G	85.7	Confident	87.3	Confident	29 Å²	29	99.7 Å²	99.7	30%	0.299	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	20	-171.2	0	0	0	0	0	114.3	L298	L298-G300 PolarHBondContact O-N 2.82Å
301	R	87.2	Confident	87.4	Confident	166 Å²	166	97.5 Å²	97.5	63%	0.626	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131	-34.3	-172.8	-67.8	178.4	-176.8	-166.9	1.7	113.7	L298 L299 F303	L298-R301 PolarHBondContact O-N 2.86Å; L299-R301 PolarHBondContact O-N 2.85Å; R301-F303 VanDerWaalsContact O-CE2 3.29Å; R301-F303 WeakPolarHBondContact O-CE2 3.17Å
302	G	88.9	Confident	87.7	Confident	36 Å²	36	94.9 Å²	94.9	37%	0.371	51%	0.508	S	S	.	.			trans	-84.5	153.8	170.1	0	0	0	0	0	111.8	L298	L298-G302 PolarHBondContact O-N 3.07Å
303	F	90.3	Very high	87.8	Confident	61 Å²	61	90.9 Å²	90.9	27%	0.268	49%	0.488	S	S	.	.			trans	-132.3	154.1	-177.7	-63.1	-73	0	0	0	110.1	R301 L309 Q312 K313	R301-F303 VanDerWaalsContact O-CE2 3.29Å; R301-F303 WeakPolarHBondContact O-CE2 3.17Å; F303-L309 HydrophobicContact CB-CD2 3.6Å; F303-L309 HydrophobicContact CD2-CD2 4.02Å; F303-L309 HydrophobicContact CG-CD2 3.81Å; F303-Q312 HydrophobicContact CD1-CB 3.93Å; F303-K313 HydrophobicContact CE1-CG 3.66Å; F303-K313 HydrophobicContact CZ-CD 4.23Å; F303-K313 VanDerWaalsContact CZ-CE 3.42Å; F303-K313 HydrophobicContact CZ-CG 3.75Å
304	I	89.6	Confident	87.9	Confident	93 Å²	93	94.4 Å²	94.4	48%	0.477	50%	0.501	S	S	.	.			trans	-68.4	138.2	174.6	-56.1	174.9	0	0	0	108.6	I307 Q312	I304-I307 HydrophobicContact CB-CD1 4.21Å; I304-I307 HydrophobicContact CG2-CD1 3.9Å; I304-I307 HydrophobicContact CG2-CG1 4.45Å; I304-Q312 PolarHBondContact O-NE2 2.99Å
305	A	91.4	Very high	87.8	Confident	94 Å²	94	93.6 Å²	93.6	78%	0.777	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	148.8	179.1	0	0	0	0	0	112.1	I307	A305-I307 PolarHBondContact O-N 2.93Å; A305-I307 VanDerWaalsContact O-N 3.11Å
306	G	86.4	Confident	87.8	Confident	92 Å²	92	89.7 Å²	89.7	95%	0.948	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	-24.4	174.9	0	0	0	0	0	116.6
307	I	86.9	Confident	87.7	Confident	76 Å²	76	87.7 Å²	87.7	39%	0.39	47%	0.47	S	S	.	.	S	Bend	trans	-88.4	140.7	-179.5	-51.2	175	0	0	0	110.4	I304 A305 L309 Q312	I304-I307 HydrophobicContact CB-CD1 4.21Å; I304-I307 HydrophobicContact CG2-CD1 3.9Å; I304-I307 HydrophobicContact CG2-CG1 4.45Å; A305-I307 PolarHBondContact O-N 2.93Å; A305-I307 VanDerWaalsContact O-N 3.11Å; I307-L309 PolarHBondContact O-N 3.2Å; I307-Q312 HydrophobicContact CB-CG 4.07Å; I307-Q312 HydrophobicContact CG2-CG 3.74Å; I307-Q312 PolarHBondContact O-NE2 3.49Å
308	D	86.2	Confident	87.6	Confident	87 Å²	87	94.7 Å²	94.7	47%	0.465	49%	0.494	S	S	.	.			trans	-55.7	129.2	-179	176.1	-85.2	0	0	0	112.8	K310 Q311 Q312	D308-K310 VanDerWaalsContact C-N 3.27Å; D308-K310 PolarHBondContact O-N 3.39Å; D308-K310 VanDerWaalsContact OD1-CA 3.26Å; D308-K310 WeakPolarHBondContact OD1-CA 3.34Å; D308-K310 VanDerWaalsContact OD1-CB 3.25Å; D308-K310 WeakPolarHBondContact OD1-CB 3.5Å; D308-K310 PolarHBondContact OD1-N 2.84Å; D308-Q311 HydrophobicContact CB-CB 4.09Å; D308-Q311 PolarHBondContact O-N 3.11Å; D308-Q311 PolarHBondContact OD1-N 2.87Å; D308-Q312 WeakPolarHBondContact O-CG 3.26Å; D308-Q312 PolarHBondContact O-N 3.12Å
309	L	87.4	Confident	87.6	Confident	89 Å²	89	96 Å²	96	47%	0.466	50%	0.497	S	S	.	.	H	α-helix	trans	-69.5	-20.4	-173.6	-58.8	178.9	0	0	0	113.6	F303 I307 K313	F303-L309 HydrophobicContact CB-CD2 3.6Å; F303-L309 HydrophobicContact CD2-CD2 4.02Å; F303-L309 HydrophobicContact CG-CD2 3.81Å; I307-L309 PolarHBondContact O-N 3.2Å; L309-K313 WeakPolarHBondContact O-CB 3.09Å; L309-K313 VanDerWaalsContact O-CD 3.25Å; L309-K313 WeakPolarHBondContact O-CD 3.44Å; L309-K313 WeakPolarHBondContact O-CG 3.4Å; L309-K313 PolarHBondContact O-N 3.41Å
310	K	86.1	Confident	87.6	Confident	77 Å²	77	93 Å²	93	34%	0.335	48%	0.478	S	S	.	.	H	α-helix	trans	-86.6	-33.6	176.5	-61.7	162.3	-179	158.1	0	110.4	D308 R314 E347	D308-K310 VanDerWaalsContact C-N 3.27Å; D308-K310 PolarHBondContact O-N 3.39Å; D308-K310 VanDerWaalsContact OD1-CA 3.26Å; D308-K310 WeakPolarHBondContact OD1-CA 3.34Å; D308-K310 VanDerWaalsContact OD1-CB 3.25Å; D308-K310 WeakPolarHBondContact OD1-CB 3.5Å; D308-K310 PolarHBondContact OD1-N 2.84Å; K310-R314 WeakPolarHBondContact O-CD 3.36Å; K310-R314 VanDerWaalsContact O-CG 3.3Å; K310-R314 WeakPolarHBondContact O-CG 3.27Å; K310-R314 PolarHBondContact O-N 3.18Å; K310-E347 WeakPolarHBondContact CE-OE1 3.27Å
311	Q	87.1	Confident	87.7	Confident	87 Å²	87	93.8 Å²	93.8	41%	0.407	49%	0.486	S	S	.	.	H	α-helix	trans	-62.3	-54.4	168	-177.9	174	2.2	0	0	110.4	D308 K313 R314 E315	D308-Q311 HydrophobicContact CB-CB 4.09Å; D308-Q311 PolarHBondContact O-N 3.11Å; D308-Q311 PolarHBondContact OD1-N 2.87Å; Q311-K313 VanDerWaalsContact C-N 3.26Å; Q311-K313 PolarHBondContact O-N 3.28Å; Q311-R314 WeakPolarHBondContact O-CA 3.46Å; Q311-R314 WeakPolarHBondContact O-CB 3.29Å; Q311-R314 PolarHBondContact O-N 2.84Å; Q311-E315 VanDerWaalsContact CG-CD 3.45Å; Q311-E315 HydrophobicContact CG-CG 4.42Å; Q311-E315 WeakPolarHBondContact CG-OE1 3.28Å; Q311-E315 PolarHBondContact NE2-OE1 3.43Å; Q311-E315 PolarHBondContact O-N 3.42Å
312	Q	87.4	Confident	87.9	Confident	21 Å²	21	90.7 Å²	90.7	10%	0.098	48%	0.482	C	S	.	.	H	α-helix	trans	-55.4	-40	176.7	-69.1	-171.8	67.3	0	0	112.5	F303 I304 I307 D308 R314 E315 Q316	F303-Q312 HydrophobicContact CD1-CB 3.93Å; I304-Q312 PolarHBondContact O-NE2 2.99Å; I307-Q312 HydrophobicContact CB-CG 4.07Å; I307-Q312 HydrophobicContact CG2-CG 3.74Å; I307-Q312 PolarHBondContact O-NE2 3.49Å; D308-Q312 WeakPolarHBondContact O-CG 3.26Å; D308-Q312 PolarHBondContact O-N 3.12Å; Q312-R314 PolarHBondContact O-N 3.33Å; Q312-E315 PolarHBondContact O-N 3.41Å; Q312-Q316 VanDerWaalsContact O-CB 3.27Å; Q312-Q316 WeakPolarHBondContact O-CB 3.37Å; Q312-Q316 WeakPolarHBondContact O-CG 3.39Å; Q312-Q316 PolarHBondContact O-N 3.15Å
313	K	87.4	Confident	88	Confident	87 Å²	87	91.1 Å²	91.1	38%	0.378	48%	0.475	S	S	.	.	H	α-helix	trans	-67.2	-16.9	176.1	-78	170.3	-169.7	169.8	0	115.1	F303 L309 Q311 Q316	F303-K313 HydrophobicContact CE1-CG 3.66Å; F303-K313 HydrophobicContact CZ-CD 4.23Å; F303-K313 VanDerWaalsContact CZ-CE 3.42Å; F303-K313 HydrophobicContact CZ-CG 3.75Å; L309-K313 WeakPolarHBondContact O-CB 3.09Å; L309-K313 VanDerWaalsContact O-CD 3.25Å; L309-K313 WeakPolarHBondContact O-CD 3.44Å; L309-K313 WeakPolarHBondContact O-CG 3.4Å; L309-K313 PolarHBondContact O-N 3.41Å; Q311-K313 VanDerWaalsContact C-N 3.26Å; Q311-K313 PolarHBondContact O-N 3.28Å; K313-Q316 PolarHBondContact O-NE2 2.72Å
314	R	86.8	Confident	88	Confident	210 Å²	210	90.7 Å²	90.7	79%	0.792	48%	0.475	S	S	*	.	H	α-helix	trans	-90.3	-38.4	173.5	-68.6	163.9	177.5	-177.9	-1.1	112	K310 Q311 Q312	K310-R314 WeakPolarHBondContact O-CD 3.36Å; K310-R314 VanDerWaalsContact O-CG 3.3Å; K310-R314 WeakPolarHBondContact O-CG 3.27Å; K310-R314 PolarHBondContact O-N 3.18Å; Q311-R314 WeakPolarHBondContact O-CA 3.46Å; Q311-R314 WeakPolarHBondContact O-CB 3.29Å; Q311-R314 PolarHBondContact O-N 2.84Å; Q312-R314 PolarHBondContact O-N 3.33Å
315	E	86.4	Confident	88	Confident	132 Å²	132	92.6 Å²	92.6	62%	0.617	48%	0.482	S	S	*	.	H	α-helix	trans	-85.9	-23.6	-175.2	-68.4	168.6	-178.3	0	0	113.2	Q311 Q312	Q311-E315 VanDerWaalsContact CG-CD 3.45Å; Q311-E315 HydrophobicContact CG-CG 4.42Å; Q311-E315 WeakPolarHBondContact CG-OE1 3.28Å; Q311-E315 PolarHBondContact NE2-OE1 3.43Å; Q311-E315 PolarHBondContact O-N 3.42Å; Q312-E315 PolarHBondContact O-N 3.41Å
316	Q	86.9	Confident	88	Confident	80 Å²	80	97 Å²	97	37%	0.374	48%	0.483	S	S	.	.	S	Bend	trans	-55.6	144	175.3	66.1	-178.3	-5.8	0	0	112.3	Q312 K313 R318	Q312-Q316 VanDerWaalsContact O-CB 3.27Å; Q312-Q316 WeakPolarHBondContact O-CB 3.37Å; Q312-Q316 WeakPolarHBondContact O-CG 3.39Å; Q312-Q316 PolarHBondContact O-N 3.15Å; K313-Q316 PolarHBondContact O-NE2 2.72Å; Q316-R318 PolarHBondContact O-N 3.06Å
317	S	84.4	Confident	88.3	Confident	67 Å²	67	102 Å²	102	47%	0.469	47%	0.474	S	S	.	.			trans	-60.1	134.7	170.7	-174.8	0	0	0	0	111	F319	S317-F319 PolarHBondContact O-N 3.45Å; S317-F319 VanDerWaalsContact O-N 3.16Å
318	R	86.4	Confident	88.5	Confident	198 Å²	198	101.1 Å²	101.1	75%	0.747	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-5.7	-177.3	-65.3	-170.7	-179.2	-167.6	1.7	114.5	Q316 Y320 G321 D322	Q316-R318 PolarHBondContact O-N 3.06Å; R318-Y320 VanDerWaalsContact C-N 3.29Å; R318-Y320 PolarHBondContact O-N 3.49Å; R318-Y320 VanDerWaalsContact O-N 3.12Å; R318-G321 WeakPolarHBondContact O-CA 3.15Å; R318-G321 PolarHBondContact O-N 2.87Å; R318-D322 PolarHBondContact O-N 3.26Å
319	F	90.9	Very high	88.8	Confident	116 Å²	116	100.8 Å²	100.8	51%	0.509	47%	0.466	S	S	.	.	H	α-helix	trans	-43.8	-48.7	-178	176.4	-101.2	0	0	0	113.9	S317 L323	S317-F319 PolarHBondContact O-N 3.45Å; S317-F319 VanDerWaalsContact O-N 3.16Å; F319-L323 HydrophobicContact CE1-CD2 4.09Å; F319-L323 HydrophobicContact CZ-CD2 4.33Å; F319-L323 WeakPolarHBondContact O-CB 3.32Å; F319-L323 PolarHBondContact O-N 3.5Å
320	Y	89	Confident	89	Confident	55 Å²	55	102.6 Å²	102.6	22%	0.216	48%	0.476	C	S	.	.	H	α-helix	trans	-73.6	-23.9	178.6	-78.7	-78.1	0	0	0	114.1	Q297 L299 R318 L323 M324	Q297-Y320 HydrophobicContact CB-CD2 4.07Å; Q297-Y320 HydrophobicContact CB-CE2 3.66Å; L299-Y320 HydrophobicContact CD2-CE1 4.41Å; R318-Y320 VanDerWaalsContact C-N 3.29Å; R318-Y320 PolarHBondContact O-N 3.49Å; R318-Y320 VanDerWaalsContact O-N 3.12Å; Y320-L323 HydrophobicContact CD1-CD2 4.2Å; Y320-L323 HydrophobicContact CE1-CD2 4.33Å; Y320-M324 WeakPolarHBondContact O-CB 3.45Å; Y320-M324 WeakPolarHBondContact O-CG 3.12Å; Y320-M324 PolarHBondContact O-N 3.31Å; Y320-M324 VanDerWaalsContact O-N 3.08Å
321	G	88.9	Confident	89.2	Confident	46 Å²	46	104.3 Å²	104.3	47%	0.474	49%	0.485	S	S	.	.	H	α-helix	trans	-66.8	-56.9	171.2	0	0	0	0	0	110.8	R318 L323 M324 E325	R318-G321 WeakPolarHBondContact O-CA 3.15Å; R318-G321 PolarHBondContact O-N 2.87Å; G321-L323 PolarHBondContact O-N 3.21Å; G321-M324 PolarHBondContact O-N 3.34Å; G321-M324 VanDerWaalsContact O-N 3.11Å; G321-E325 PolarHBondContact O-N 2.74Å
322	D	90.9	Very high	89.4	Confident	101 Å²	101	104.2 Å²	104.2	54%	0.54	49%	0.485	S	S	.	.	H	α-helix	trans	-58.1	-38.8	178.9	-50.4	-17.6	0	0	0	111.2	R318 K326	R318-D322 PolarHBondContact O-N 3.26Å; D322-K326 WeakPolarHBondContact O-CB 3.43Å; D322-K326 PolarHBondContact O-N 3.19Å
323	L	91.6	Very high	89.5	Confident	44 Å²	44	107.1 Å²	107.1	23%	0.23	50%	0.497	C	S	.	.	H	α-helix	trans	-67.3	-39.6	177.1	-175.5	63.9	0	0	0	112.9	F319 Y320 G321 K326 R327	F319-L323 HydrophobicContact CE1-CD2 4.09Å; F319-L323 HydrophobicContact CZ-CD2 4.33Å; F319-L323 WeakPolarHBondContact O-CB 3.32Å; F319-L323 PolarHBondContact O-N 3.5Å; Y320-L323 HydrophobicContact CD1-CD2 4.2Å; Y320-L323 HydrophobicContact CE1-CD2 4.33Å; G321-L323 PolarHBondContact O-N 3.21Å; L323-K326 PolarHBondContact O-N 2.88Å; L323-R327 HydrophobicContact CD1-CG 4.23Å; L323-R327 WeakPolarHBondContact O-CB 3.33Å; L323-R327 WeakPolarHBondContact O-CG 3.43Å; L323-R327 PolarHBondContact O-N 2.99Å
324	M	89.9	Confident	89.7	Confident	52 Å²	52	108.4 Å²	108.4	26%	0.256	50%	0.504	S	S	.	.	H	α-helix	trans	-72	-37.6	177.4	-68.9	-83.4	161.8	0	0	111.1	Y320 G321 K326 R327 R328	Y320-M324 WeakPolarHBondContact O-CB 3.45Å; Y320-M324 WeakPolarHBondContact O-CG 3.12Å; Y320-M324 PolarHBondContact O-N 3.31Å; Y320-M324 VanDerWaalsContact O-N 3.08Å; G321-M324 PolarHBondContact O-N 3.34Å; G321-M324 VanDerWaalsContact O-N 3.11Å; M324-K326 VanDerWaalsContact C-N 3.33Å; M324-R327 PolarHBondContact O-N 3.42Å; M324-R328 WeakPolarHBondContact O-CB 3.29Å; M324-R328 VanDerWaalsContact O-CG 3.26Å; M324-R328 WeakPolarHBondContact O-CG 3.32Å; M324-R328 PolarHBondContact O-N 3.49Å; M324-R328 VanDerWaalsContact O-N 3.14Å
325	E	89.4	Confident	89.9	Confident	134 Å²	134	104 Å²	104	63%	0.626	49%	0.493	S	S	*	.	H	α-helix	trans	-63.9	-38.1	172.9	-175.9	174.5	-170.7	0	0	112	G321 K333	G321-E325 PolarHBondContact O-N 2.74Å; E325-K333 WeakPolarHBondContact O-CE 3.34Å; E325-K333 PolarHBondContact O-NZ 2.84Å
326	K	92.2	Very high	90	Very high	186 Å²	186	99.1 Å²	99.1	81%	0.809	47%	0.47	S	S	*	.	H	α-helix	trans	-75.3	-29.1	178.5	-174.2	169.7	-178.9	176.5	0	114.2	D322 L323 M324	D322-K326 WeakPolarHBondContact O-CB 3.43Å; D322-K326 PolarHBondContact O-N 3.19Å; L323-K326 PolarHBondContact O-N 2.88Å; M324-K326 VanDerWaalsContact C-N 3.33Å
327	R	91.6	Very high	90.2	Very high	198 Å²	198	101.1 Å²	101.1	75%	0.747	48%	0.479	S	S	*	.	H	α-helix	trans	-97.5	-23.1	-173.8	-75	-172.6	172.3	-169.2	-0.2	115.7	L323 M324	L323-R327 HydrophobicContact CD1-CG 4.23Å; L323-R327 WeakPolarHBondContact O-CB 3.33Å; L323-R327 WeakPolarHBondContact O-CG 3.43Å; L323-R327 PolarHBondContact O-N 2.99Å; M324-R327 PolarHBondContact O-N 3.42Å
328	R	91.8	Very high	90.6	Very high	56 Å²	56	100.8 Å²	100.8	21%	0.211	48%	0.481	C	S	.	.			trans	-76.1	140.7	-176.8	-78.6	173.9	163.2	158.6	-10.9	113.1	M324 E332 K333 E336	M324-R328 WeakPolarHBondContact O-CB 3.29Å; M324-R328 VanDerWaalsContact O-CG 3.26Å; M324-R328 WeakPolarHBondContact O-CG 3.32Å; M324-R328 PolarHBondContact O-N 3.49Å; M324-R328 VanDerWaalsContact O-N 3.14Å; R328-E332 HydrophobicContact CB-CB 3.93Å; R328-E332 HydrophobicContact CG-CB 3.88Å; R328-K333 HydrophobicContact CB-CG 3.81Å; R328-K333 WeakPolarHBondContact O-CE 3.46Å; R328-E336 IonicContact CZ-OE2 2.72Å; R328-E336 IonicContact NH1-OE2 3.75Å; R328-E336 PolarHBondContact NH1-OE2 2.79Å; R328-E336 IonicContact NH2-OE2 3.9Å; R328-E336 PolarHBondContact NH2-OE2 2.88Å
329	T	93.3	Very high	91	Very high	80 Å²	80	98.9 Å²	98.9	49%	0.491	47%	0.473	S	S	.	.			trans	-61.5	167.9	161.5	60.2	0	0	0	0	111.5	E332 K333	T329-E332 WeakPolarHBondContact CB-OE2 3.44Å; T329-E332 WeakPolarHBondContact CG2-OE2 3.25Å; T329-E332 PolarHBondContact N-OE2 2.87Å; T329-E332 PolarHBondContact O-N 2.97Å; T329-E332 WeakPolarHBondContact OG1-CB 3.45Å; T329-E332 VanDerWaalsContact OG1-CG 3.24Å; T329-E332 WeakPolarHBondContact OG1-CG 3.46Å; T329-E332 PolarHBondContact OG1-N 3.48Å; T329-E332 PolarHBondContact OG1-OE2 2.88Å; T329-K333 WeakPolarHBondContact O-CG 3.28Å; T329-K333 PolarHBondContact O-N 2.6Å
330	L	91.2	Very high	90.9	Very high	128 Å²	128	96.4 Å²	96.4	67%	0.67	47%	0.465	S	S	*	.	H	α-helix	trans	-61	-48.5	177.6	-174.8	62.8	0	0	0	111.4	E332 K333 E334	L330-E332 PolarHBondContact O-N 2.96Å; L330-K333 WeakPolarHBondContact O-CA 3.47Å; L330-K333 WeakPolarHBondContact O-CB 3.4Å; L330-K333 PolarHBondContact O-N 3.12Å; L330-E334 PolarHBondContact O-N 2.93Å
331	E	90.8	Very high	91.1	Very high	112 Å²	112	102.8 Å²	102.8	52%	0.523	49%	0.489	S	S	.	.	H	α-helix	trans	-54.2	-48.2	175.9	-179.3	60.1	-145.2	0	0	112.3	K333 E334 Q335	E331-K333 PolarHBondContact O-N 3.13Å; E331-E334 PolarHBondContact O-N 2.9Å; E331-Q335 WeakPolarHBondContact O-CG 3.49Å; E331-Q335 PolarHBondContact O-N 3.38Å; E331-Q335 WeakPolarHBondContact OE1-CG 3.22Å; E331-Q335 PolarHBondContact OE1-NE2 3.17Å
332	E	89.8	Confident	91.3	Very high	86 Å²	86	108 Å²	108	40%	0.402	50%	0.499	S	S	.	.	H	α-helix	trans	-65.2	-25.6	177.4	-71.9	171	107.4	0	0	113.8	R328 T329 L330 E336	R328-E332 HydrophobicContact CB-CB 3.93Å; R328-E332 HydrophobicContact CG-CB 3.88Å; T329-E332 WeakPolarHBondContact CB-OE2 3.44Å; T329-E332 WeakPolarHBondContact CG2-OE2 3.25Å; T329-E332 PolarHBondContact N-OE2 2.87Å; T329-E332 PolarHBondContact O-N 2.97Å; T329-E332 WeakPolarHBondContact OG1-CB 3.45Å; T329-E332 VanDerWaalsContact OG1-CG 3.24Å; T329-E332 WeakPolarHBondContact OG1-CG 3.46Å; T329-E332 PolarHBondContact OG1-N 3.48Å; T329-E332 PolarHBondContact OG1-OE2 2.88Å; L330-E332 PolarHBondContact O-N 2.96Å; E332-E336 PolarHBondContact O-N 2.89Å
333	K	90.4	Very high	91.3	Very high	81 Å²	81	106.4 Å²	106.4	35%	0.352	49%	0.49	S	S	.	.	H	α-helix	trans	-73.3	-45.4	172.7	-70.8	178.8	-177.1	-168.5	0	110.5	E325 R328 T329 L330 E331 E336 E337	E325-K333 WeakPolarHBondContact O-CE 3.34Å; E325-K333 PolarHBondContact O-NZ 2.84Å; R328-K333 HydrophobicContact CB-CG 3.81Å; R328-K333 WeakPolarHBondContact O-CE 3.46Å; T329-K333 WeakPolarHBondContact O-CG 3.28Å; T329-K333 PolarHBondContact O-N 2.6Å; L330-K333 WeakPolarHBondContact O-CA 3.47Å; L330-K333 WeakPolarHBondContact O-CB 3.4Å; L330-K333 PolarHBondContact O-N 3.12Å; E331-K333 PolarHBondContact O-N 3.13Å; K333-E336 PolarHBondContact O-N 3.13Å; K333-E337 WeakPolarHBondContact O-CB 3.3Å; K333-E337 PolarHBondContact O-N 2.64Å
334	E	92	Very high	91.3	Very high	114 Å²	114	111.8 Å²	111.8	53%	0.533	51%	0.507	S	S	.	.	H	α-helix	trans	-63.7	-40.9	176.9	-68	-170.6	-152.9	0	0	112	L330 E331 E337 A338	L330-E334 PolarHBondContact O-N 2.93Å; E331-E334 PolarHBondContact O-N 2.9Å; E334-E337 PolarHBondContact O-N 3.39Å; E334-A338 WeakPolarHBondContact O-CB 3.37Å; E334-A338 PolarHBondContact O-N 3.32Å
335	Q	91.1	Very high	91.5	Very high	117 Å²	117	117.2 Å²	117.2	55%	0.547	53%	0.529	S	S	.	.	H	α-helix	trans	-64.2	-42.3	175.1	-70	-177.9	14.7	0	0	112.9	E331 R339	E331-Q335 WeakPolarHBondContact O-CG 3.49Å; E331-Q335 PolarHBondContact O-N 3.38Å; E331-Q335 WeakPolarHBondContact OE1-CG 3.22Å; E331-Q335 PolarHBondContact OE1-NE2 3.17Å; Q335-R339 WeakPolarHBondContact O-CB 3.38Å; Q335-R339 PolarHBondContact O-N 2.91Å
336	E	87.6	Confident	91.6	Very high	31 Å²	31	118 Å²	118	15%	0.145	53%	0.53	C	S	.	.	H	α-helix	trans	-67.2	-41.1	172.6	-179.5	74.2	-104.4	0	0	111.3	R328 E332 K333 A338 R339 L340	R328-E336 IonicContact CZ-OE2 2.72Å; R328-E336 IonicContact NH1-OE2 3.75Å; R328-E336 PolarHBondContact NH1-OE2 2.79Å; R328-E336 IonicContact NH2-OE2 3.9Å; R328-E336 PolarHBondContact NH2-OE2 2.88Å; E332-E336 PolarHBondContact O-N 2.89Å; K333-E336 PolarHBondContact O-N 3.13Å; E336-A338 PolarHBondContact O-N 2.81Å; E336-R339 CarbonylContact O-C 3.51Å; E336-R339 WeakPolarHBondContact O-CB 3.47Å; E336-R339 PolarHBondContact O-N 3.24Å; E336-R339 IonicContact OE1-CZ 2.76Å; E336-R339 IonicContact OE1-NE 2.59Å; E336-R339 PolarHBondContact OE1-NE 3.12Å; E336-R339 IonicContact OE1-NH2 2.75Å; E336-R339 PolarHBondContact OE1-NH2 3.41Å; E336-R339 IonicContact OE2-CZ 3.17Å; E336-R339 IonicContact OE2-NE 2.69Å; E336-R339 IonicContact OE2-NH2 4Å; E336-R339 PolarHBondContact OE2-NH2 3.33Å; E336-L340 HydrophobicContact CG-CD1 3.88Å; E336-L340 HydrophobicContact CG-CG 4.12Å; E336-L340 WeakPolarHBondContact O-CB 3.47Å; E336-L340 WeakPolarHBondContact O-CG 3.47Å; E336-L340 PolarHBondContact O-N 3.2Å
337	E	91.8	Very high	91.5	Very high	121 Å²	121	111.7 Å²	111.7	57%	0.565	50%	0.504	S	S	*	.	H	α-helix	trans	-62.3	-43.3	176.9	179.4	161.5	-166	0	0	111.3	K333 E334 R339 L340 R341	K333-E337 WeakPolarHBondContact O-CB 3.3Å; K333-E337 PolarHBondContact O-N 2.64Å; E334-E337 PolarHBondContact O-N 3.39Å; E337-R339 VanDerWaalsContact C-N 3.31Å; E337-R339 PolarHBondContact O-N 2.82Å; E337-L340 CarbonylContact O-C 3.48Å; E337-L340 PolarHBondContact O-N 3.04Å; E337-R341 WeakPolarHBondContact O-CB 3.12Å; E337-R341 PolarHBondContact O-N 3.49Å
338	A	93.4	Very high	91.4	Very high	61 Å²	61	105 Å²	105	50%	0.504	49%	0.491	S	S	.	.	H	α-helix	trans	-59	-42.3	173.2	0	0	0	0	0	111.6	E334 E336 R341 K342	E334-A338 WeakPolarHBondContact O-CB 3.37Å; E334-A338 PolarHBondContact O-N 3.32Å; E336-A338 PolarHBondContact O-N 2.81Å; A338-R341 PolarHBondContact O-N 2.8Å; A338-K342 WeakPolarHBondContact O-CB 3.31Å; A338-K342 PolarHBondContact O-N 3.14Å
339	R	92.8	Very high	91.4	Very high	157 Å²	157	108.4 Å²	108.4	59%	0.592	51%	0.507	S	S	*	.	H	α-helix	trans	-63.5	-45.9	174.8	-165.5	-175.2	74.8	131.3	-2.1	112	Q335 E336 E337 K342 L343	Q335-R339 WeakPolarHBondContact O-CB 3.38Å; Q335-R339 PolarHBondContact O-N 2.91Å; E336-R339 CarbonylContact O-C 3.51Å; E336-R339 WeakPolarHBondContact O-CB 3.47Å; E336-R339 PolarHBondContact O-N 3.24Å; E336-R339 IonicContact OE1-CZ 2.76Å; E336-R339 IonicContact OE1-NE 2.59Å; E336-R339 PolarHBondContact OE1-NE 3.12Å; E336-R339 IonicContact OE1-NH2 2.75Å; E336-R339 PolarHBondContact OE1-NH2 3.41Å; E336-R339 IonicContact OE2-CZ 3.17Å; E336-R339 IonicContact OE2-NE 2.69Å; E336-R339 IonicContact OE2-NH2 4Å; E336-R339 PolarHBondContact OE2-NH2 3.33Å; E337-R339 VanDerWaalsContact C-N 3.31Å; E337-R339 PolarHBondContact O-N 2.82Å; R339-K342 PolarHBondContact O-N 2.76Å; R339-L343 WeakPolarHBondContact O-CB 3.47Å; R339-L343 PolarHBondContact O-N 2.72Å
340	L	89.9	Confident	90.9	Very high	64 Å²	64	109.4 Å²	109.4	34%	0.335	51%	0.506	S	S	.	.	H	α-helix	trans	-66.8	-36.5	177.3	-72.1	175.4	0	0	0	111.8	E336 E337 L343 R344	E336-L340 HydrophobicContact CG-CD1 3.88Å; E336-L340 HydrophobicContact CG-CG 4.12Å; E336-L340 WeakPolarHBondContact O-CB 3.47Å; E336-L340 WeakPolarHBondContact O-CG 3.47Å; E336-L340 PolarHBondContact O-N 3.2Å; E337-L340 CarbonylContact O-C 3.48Å; E337-L340 PolarHBondContact O-N 3.04Å; L340-L343 PolarHBondContact O-N 2.84Å; L340-R344 VanDerWaalsContact O-CB 3.26Å; L340-R344 WeakPolarHBondContact O-CB 3.44Å; L340-R344 WeakPolarHBondContact O-CG 3.5Å; L340-R344 PolarHBondContact O-N 3.46Å
341	R	92.8	Very high	90.5	Very high	190 Å²	190	112.5 Å²	112.5	72%	0.717	51%	0.509	S	S	*	.	H	α-helix	trans	-66.7	-41.3	174.4	-170.5	174.6	-178.5	-176.1	0.5	110.9	E337 A338 K345	E337-R341 WeakPolarHBondContact O-CB 3.12Å; E337-R341 PolarHBondContact O-N 3.49Å; A338-R341 PolarHBondContact O-N 2.8Å; R341-K345 WeakPolarHBondContact O-CB 3.16Å; R341-K345 PolarHBondContact O-N 3.33Å
342	K	93.9	Very high	90.1	Very high	155 Å²	155	114 Å²	114	67%	0.674	51%	0.51	S	S	*	.	H	α-helix	trans	-64.9	-39.9	172.6	-168.5	171.7	-175.3	173.2	0	111.9	A338 R339 K345 K346	A338-K342 WeakPolarHBondContact O-CB 3.31Å; A338-K342 PolarHBondContact O-N 3.14Å; R339-K342 PolarHBondContact O-N 2.76Å; K342-K345 PolarHBondContact O-N 3.46Å; K342-K346 PolarHBondContact O-N 3.4Å; K342-K346 VanDerWaalsContact O-N 3.13Å
343	L	91.3	Very high	89.5	Confident	67 Å²	67	113.4 Å²	113.4	35%	0.351	51%	0.509	S	S	.	.	H	α-helix	trans	-67.2	-50	174.9	-176.6	61.8	0	0	0	111.7	R339 L340 K345 K346 E347	R339-L343 WeakPolarHBondContact O-CB 3.47Å; R339-L343 PolarHBondContact O-N 2.72Å; L340-L343 PolarHBondContact O-N 2.84Å; L343-K345 PolarHBondContact O-N 2.87Å; L343-K346 CarbonylContact O-C 3.56Å; L343-K346 WeakPolarHBondContact O-CA 3.39Å; L343-K346 WeakPolarHBondContact O-CB 3.28Å; L343-K346 PolarHBondContact O-N 3.36Å; L343-E347 WeakPolarHBondContact O-CG 3.36Å; L343-E347 PolarHBondContact O-N 3.19Å
344	R	90.5	Very high	89	Confident	157 Å²	157	113.2 Å²	113.2	59%	0.592	51%	0.512	S	S	*	.	H	α-helix	trans	-55.6	-38	174.1	-74.8	169.7	-179.4	171.3	1.6	111.7	L340 E347 A348	L340-R344 VanDerWaalsContact O-CB 3.26Å; L340-R344 WeakPolarHBondContact O-CB 3.44Å; L340-R344 WeakPolarHBondContact O-CG 3.5Å; L340-R344 PolarHBondContact O-N 3.46Å; R344-E347 PolarHBondContact O-N 3.37Å; R344-A348 WeakPolarHBondContact O-CB 3.46Å; R344-A348 PolarHBondContact O-N 2.75Å
345	K	93.7	Very high	88.6	Confident	167 Å²	167	109.1 Å²	109.1	73%	0.726	49%	0.492	S	S	*	.	H	α-helix	trans	-66.5	-38.3	174.3	-169.8	172.8	-178.2	177.6	0	112.4	R341 K342 L343 K349	R341-K345 WeakPolarHBondContact O-CB 3.16Å; R341-K345 PolarHBondContact O-N 3.33Å; K342-K345 PolarHBondContact O-N 3.46Å; L343-K345 PolarHBondContact O-N 2.87Å; K345-K349 PolarHBondContact O-N 3.37Å
346	K	92.9	Very high	88.3	Confident	150 Å²	150	107.4 Å²	107.4	65%	0.652	48%	0.484	S	S	*	.	H	α-helix	trans	-65.2	-46.9	171.3	-74	-170.5	172.7	-166	0	111.9	K342 L343 A348 K349 Q350	K342-K346 PolarHBondContact O-N 3.4Å; K342-K346 VanDerWaalsContact O-N 3.13Å; L343-K346 CarbonylContact O-C 3.56Å; L343-K346 WeakPolarHBondContact O-CA 3.39Å; L343-K346 WeakPolarHBondContact O-CB 3.28Å; L343-K346 PolarHBondContact O-N 3.36Å; K346-A348 VanDerWaalsContact C-N 3.31Å; K346-A348 PolarHBondContact O-N 2.82Å; K346-K349 PolarHBondContact O-N 2.77Å; K346-Q350 PolarHBondContact O-N 3.18Å
347	E	89.1	Confident	88.4	Confident	53 Å²	53	107.5 Å²	107.5	25%	0.248	48%	0.483	C	S	.	.	H	α-helix	trans	-62.2	-37.7	177.3	-68.6	-178.2	135.6	0	0	112.1	K310 L343 R344 R351	K310-E347 WeakPolarHBondContact CE-OE1 3.27Å; L343-E347 WeakPolarHBondContact O-CG 3.36Å; L343-E347 PolarHBondContact O-N 3.19Å; R344-E347 PolarHBondContact O-N 3.37Å; E347-R351 VanDerWaalsContact O-CB 3.31Å; E347-R351 WeakPolarHBondContact O-CB 3.36Å; E347-R351 VanDerWaalsContact O-CG 3.26Å; E347-R351 WeakPolarHBondContact O-CG 3.25Å; E347-R351 PolarHBondContact O-N 3.18Å
348	A	89.4	Confident	88.2	Confident	57 Å²	57	105.3 Å²	105.3	47%	0.471	48%	0.481	S	S	.	.	H	α-helix	trans	-67.7	-42.5	174.8	0	0	0	0	0	112.1	R344 K346 R351 W352	R344-A348 WeakPolarHBondContact O-CB 3.46Å; R344-A348 PolarHBondContact O-N 2.75Å; K346-A348 VanDerWaalsContact C-N 3.31Å; K346-A348 PolarHBondContact O-N 2.82Å; A348-R351 PolarHBondContact O-N 2.98Å; A348-W352 WeakPolarHBondContact O-CB 3.34Å; A348-W352 PolarHBondContact O-N 2.77Å
349	K	91.4	Very high	88	Confident	128 Å²	128	108.7 Å²	108.7	56%	0.557	49%	0.486	S	S	*	.	H	α-helix	trans	-62.5	-48.5	174.4	-163.7	-153.2	-177.8	-66.7	0	111	K345 K346 R351 W352 D353	K345-K349 PolarHBondContact O-N 3.37Å; K346-K349 PolarHBondContact O-N 2.77Å; K349-R351 VanDerWaalsContact C-N 3.34Å; K349-R351 PolarHBondContact O-N 2.85Å; K349-W352 WeakPolarHBondContact O-CA 3.48Å; K349-W352 WeakPolarHBondContact O-CB 3.43Å; K349-W352 PolarHBondContact O-N 3.43Å; K349-D353 IonicContact NZ-OD1 3.22Å; K349-D353 PolarHBondContact NZ-OD1 2.94Å; K349-D353 IonicContact NZ-OD2 2.72Å; K349-D353 PolarHBondContact NZ-OD2 3.41Å; K349-D353 PolarHBondContact O-N 3.25Å
350	Q	83.3	Confident	87.9	Confident	101 Å²	101	102 Å²	102	47%	0.472	46%	0.462	S	S	.	.	H	α-helix	trans	-57.1	-48.1	176.7	-173.8	-176.7	15.2	0	0	111.1	K346 W352 D353 D354	K346-Q350 PolarHBondContact O-N 3.18Å; Q350-W352 PolarHBondContact O-N 2.86Å; Q350-D353 PolarHBondContact O-N 2.88Å; Q350-D354 WeakPolarHBondContact CG-OD2 3.45Å; Q350-D354 VanDerWaalsContact O-CB 3.32Å; Q350-D354 WeakPolarHBondContact O-CB 3.24Å; Q350-D354 PolarHBondContact O-N 3.19Å
351	R	81.9	Confident	88.1	Confident	193 Å²	193	104.8 Å²	104.8	73%	0.728	47%	0.471	S	S	*	.	H	α-helix	trans	-62.5	-20.9	175.7	-76.8	-178.5	66.6	-159.1	-2.6	114.3	E347 A348 K349 R355	E347-R351 VanDerWaalsContact O-CB 3.31Å; E347-R351 WeakPolarHBondContact O-CB 3.36Å; E347-R351 VanDerWaalsContact O-CG 3.26Å; E347-R351 WeakPolarHBondContact O-CG 3.25Å; E347-R351 PolarHBondContact O-N 3.18Å; A348-R351 PolarHBondContact O-N 2.98Å; K349-R351 VanDerWaalsContact C-N 3.34Å; K349-R351 PolarHBondContact O-N 2.85Å; R351-R355 WeakPolarHBondContact O-CG 3.44Å
352	W	83.7	Confident	88.2	Confident	145 Å²	145	99.1 Å²	99.1	55%	0.549	46%	0.455	S	S	.	.	H	α-helix	trans	-84.3	-42.5	176.1	-176.4	-94.6	0	0	0	111.7	A348 K349 Q350 R355	A348-W352 WeakPolarHBondContact O-CB 3.34Å; A348-W352 PolarHBondContact O-N 2.77Å; K349-W352 WeakPolarHBondContact O-CA 3.48Å; K349-W352 WeakPolarHBondContact O-CB 3.43Å; K349-W352 PolarHBondContact O-N 3.43Å; Q350-W352 PolarHBondContact O-N 2.86Å; W352-R355 VanDerWaalsContact CE2-CZ 3.44Å; W352-R355 PolarHBondContact O-NE 2.95Å; W352-R355 PolarHBondContact O-NH2 3.4Å
353	D	77.3	Confident	88.2	Confident	72 Å²	72	98 Å²	98	39%	0.385	46%	0.456	S	S	.	.	H	α-helix	trans	-67.3	-47.4	176.4	-53.7	-28.6	0	0	0	110.2	K349 Q350 R355 K360	K349-D353 IonicContact NZ-OD1 3.22Å; K349-D353 PolarHBondContact NZ-OD1 2.94Å; K349-D353 IonicContact NZ-OD2 2.72Å; K349-D353 PolarHBondContact NZ-OD2 3.41Å; K349-D353 PolarHBondContact O-N 3.25Å; Q350-D353 PolarHBondContact O-N 2.88Å; D353-R355 VanDerWaalsContact C-N 3.26Å; D353-R355 PolarHBondContact O-N 3.43Å; D353-K360 WeakPolarHBondContact O-CE 3.48Å; D353-K360 PolarHBondContact O-NZ 2.9Å
354	D	79.3	Confident	88.3	Confident	78 Å²	78	97.5 Å²	97.5	42%	0.417	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	17.4	178.5	-70.5	-50.7	0	0	0	114.2	Q350 R368	Q350-D354 WeakPolarHBondContact CG-OD2 3.45Å; Q350-D354 VanDerWaalsContact O-CB 3.32Å; Q350-D354 WeakPolarHBondContact O-CB 3.24Å; Q350-D354 PolarHBondContact O-N 3.19Å; D354-R368 IonicContact OD1-CZ 2.86Å; D354-R368 IonicContact OD1-NH2 3.27Å; D354-R368 PolarHBondContact OD1-NH2 3.33Å
355	R	84.3	Confident	88.3	Confident	28 Å²	28	91 Å²	91	11%	0.106	43%	0.428	C	S	.	.			trans	-56.4	142.6	175.1	-88.5	176.9	-63.7	146.2	6.2	111.5	R351 W352 D353 Q359 K360 E364	R351-R355 WeakPolarHBondContact O-CG 3.44Å; W352-R355 VanDerWaalsContact CE2-CZ 3.44Å; W352-R355 PolarHBondContact O-NE 2.95Å; W352-R355 PolarHBondContact O-NH2 3.4Å; D353-R355 VanDerWaalsContact C-N 3.26Å; D353-R355 PolarHBondContact O-N 3.43Å; R355-Q359 HydrophobicContact CG-CB 4.41Å; R355-Q359 PolarHBondContact NH1-O 2.78Å; R355-K360 HydrophobicContact CB-CD 4.37Å; R355-K360 HydrophobicContact CB-CG 3.92Å; R355-K360 WeakPolarHBondContact O-CE 3.44Å; R355-K360 PolarHBondContact O-NZ 2.95Å; R355-E364 IonicContact CZ-OE2 2.79Å; R355-E364 IonicContact NH1-OE2 3.71Å; R355-E364 PolarHBondContact NH1-OE2 3.46Å; R355-E364 IonicContact NH2-OE2 2.81Å; R355-E364 PolarHBondContact NH2-OE2 3.37Å
356	H	83.4	Confident	88.1	Confident	81 Å²	81	86.4 Å²	86.4	38%	0.375	41%	0.414	S	S	.	.			trans	-61.6	144.6	164.5	-172.9	-96	0	0	0	110.4	S358 Q359 D376	H356-S358 PolarHBondContact ND1-N 3.44Å; H356-S358 PolarHBondContact ND1-OG 3.04Å; H356-S358 PolarHBondContact O-N 3.24Å; H356-S358 VanDerWaalsContact O-N 3.12Å; H356-Q359 PolarHBondContact O-N 3.49Å; H356-D376 IonicContact NE2-OD2 2.69Å; H356-D376 PolarHBondContact NE2-OD2 2.83Å
357	W	90.9	Very high	87.5	Confident	32 Å²	32	85.6 Å²	85.6	12%	0.121	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-58.2	-31.2	-172	59	-98.4	0	0	0	113.6	Q359 K360 M365 F373 D376 Y377 R391	W357-Q359 PolarHBondContact O-N 3.07Å; W357-Q359 VanDerWaalsContact O-N 3.11Å; W357-K360 PolarHBondContact O-N 2.83Å; W357-M365 HydrophobicContact CB-CE 3.72Å; W357-M365 HydrophobicContact CB-SD 3.64Å; W357-F373 HydrophobicContact CB-CD2 4.5Å; W357-F373 AromaticContact CD2-CD2 3.46Å; W357-F373 HydrophobicContact CD2-CD2 3.46Å; W357-F373 VanDerWaalsContact CD2-CD2 3.46Å; W357-F373 AromaticContact CD2-CE2 3.99Å; W357-F373 HydrophobicContact CD2-CE2 3.99Å; W357-F373 HydrophobicContact CD2-CG 4.49Å; W357-F373 AromaticContact CE2-CD2 3.73Å; W357-F373 AromaticContact CE3-CD2 3.68Å; W357-F373 HydrophobicContact CE3-CD2 3.68Å; W357-F373 AromaticContact CE3-CE2 3.74Å; W357-F373 HydrophobicContact CE3-CE2 3.74Å; W357-F373 HydrophobicContact CG-CB 4.31Å; W357-F373 AromaticContact CG-CD2 3.81Å; W357-F373 HydrophobicContact CG-CD2 3.81Å; W357-F373 HydrophobicContact CH2-CD2 4.44Å; W357-F373 HydrophobicContact CH2-CE2 4.12Å; W357-F373 HydrophobicContact CZ2-CD2 4.23Å; W357-F373 HydrophobicContact CZ2-CE2 4.31Å; W357-F373 HydrophobicContact CZ3-CD2 4.18Å; W357-F373 AromaticContact CZ3-CE2 3.82Å; W357-F373 HydrophobicContact CZ3-CE2 3.82Å; W357-D376 PolarHBondContact NE1-OD2 3.4Å; W357-Y377 AromaticContact CH2-CE2 3.68Å; W357-Y377 HydrophobicContact CH2-CE2 3.68Å; W357-Y377 AromaticContact CH2-CZ 3.92Å; W357-Y377 WeakPolarHBondContact CH2-OH 3.38Å; W357-Y377 HydrophobicContact CZ2-CD2 4.46Å; W357-Y377 AromaticContact CZ2-CE2 3.6Å; W357-Y377 HydrophobicContact CZ2-CE2 3.6Å; W357-R391 PolarHBondContact O-NH1 2.74Å
358	S	86.6	Confident	87	Confident	75 Å²	75	88.2 Å²	88.2	52%	0.524	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-67.4	-7.4	176.8	66.9	0	0	0	0	114.3	H356	H356-S358 PolarHBondContact ND1-N 3.44Å; H356-S358 PolarHBondContact ND1-OG 3.04Å; H356-S358 PolarHBondContact O-N 3.24Å; H356-S358 VanDerWaalsContact O-N 3.12Å
359	Q	89	Confident	86.7	Confident	133 Å²	133	85.7 Å²	85.7	62%	0.621	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-113.1	6.5	173.2	-59.4	-179.6	0.4	0	0	112.6	R355 H356 W357	R355-Q359 HydrophobicContact CG-CB 4.41Å; R355-Q359 PolarHBondContact NH1-O 2.78Å; H356-Q359 PolarHBondContact O-N 3.49Å; W357-Q359 PolarHBondContact O-N 3.07Å; W357-Q359 VanDerWaalsContact O-N 3.11Å
360	K	91.6	Very high	86.4	Confident	16 Å²	16	80.1 Å²	80.1	7%	0.07	38%	0.379	C	S	.	.	S	Bend	trans	-104.7	156.2	174.8	-68.6	-176.9	168.9	177.7	0	110.3	D353 R355 W357 E364 M365 D369 R391	D353-K360 WeakPolarHBondContact O-CE 3.48Å; D353-K360 PolarHBondContact O-NZ 2.9Å; R355-K360 HydrophobicContact CB-CD 4.37Å; R355-K360 HydrophobicContact CB-CG 3.92Å; R355-K360 WeakPolarHBondContact O-CE 3.44Å; R355-K360 PolarHBondContact O-NZ 2.95Å; W357-K360 PolarHBondContact O-N 2.83Å; K360-E364 HydrophobicContact CB-CB 4.34Å; K360-M365 HydrophobicContact CB-SD 4.28Å; K360-D369 IonicContact NZ-OD1 3.69Å; K360-D369 PolarHBondContact NZ-OD1 2.92Å; K360-D369 IonicContact NZ-OD2 3.79Å; K360-D369 PolarHBondContact NZ-OD2 2.94Å; K360-R391 PolarHBondContact O-NH1 2.9Å; K360-R391 PolarHBondContact O-NH2 2.82Å
361	K	94.5	Very high	86.1	Confident	123 Å²	123	82.4 Å²	82.4	54%	0.535	38%	0.383	S	S	.	.			trans	-81.4	170.4	163.1	-57.1	178.8	-177.2	171.9	0	110.8	D363 E364 M365 R391	K361-D363 WeakPolarHBondContact CB-OD1 3.34Å; K361-D363 WeakPolarHBondContact CD-OD1 3.41Å; K361-E364 HydrophobicContact CB-CB 4.43Å; K361-E364 HydrophobicContact CB-CG 4.13Å; K361-E364 PolarHBondContact O-N 3.27Å; K361-M365 WeakPolarHBondContact O-CG 3.4Å; K361-R391 PolarHBondContact O-NH1 3.48Å
362	L	93.6	Very high	85.9	Confident	71 Å²	71	74.9 Å²	74.9	37%	0.372	36%	0.357	S	S	.	.	S	Bend	trans	-66.1	-41.3	179.7	-176.2	66.4	0	0	0	112.6	E364 M365 W370 R391 D395	L362-E364 PolarHBondContact O-N 3.11Å; L362-M365 WeakPolarHBondContact O-CB 3.49Å; L362-M365 WeakPolarHBondContact O-CG 3.06Å; L362-M365 PolarHBondContact O-N 2.72Å; L362-W370 HydrophobicContact CD1-CH2 3.6Å; L362-W370 HydrophobicContact CD1-CZ2 3.67Å; L362-R391 HydrophobicContact CD1-CG 3.95Å; L362-D395 HydrophobicContact CD2-CB 4.43Å; L362-D395 WeakPolarHBondContact CD2-O 3.41Å
363	D	94.1	Very high	86	Confident	131 Å²	131	68 Å²	68	70%	0.701	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-20	175.1	55.2	-49.5	0	0	0	113.5	K361	K361-D363 WeakPolarHBondContact CB-OD1 3.34Å; K361-D363 WeakPolarHBondContact CD-OD1 3.41Å
364	E	93.6	Very high	86.3	Confident	56 Å²	56	66.4 Å²	66.4	26%	0.262	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	1.7	176.2	-63.6	176.9	-164.3	0	0	113.5	R355 K360 K361 L362	R355-E364 IonicContact CZ-OE2 2.79Å; R355-E364 IonicContact NH1-OE2 3.71Å; R355-E364 PolarHBondContact NH1-OE2 3.46Å; R355-E364 IonicContact NH2-OE2 2.81Å; R355-E364 PolarHBondContact NH2-OE2 3.37Å; K360-E364 HydrophobicContact CB-CB 4.34Å; K361-E364 HydrophobicContact CB-CB 4.43Å; K361-E364 HydrophobicContact CB-CG 4.13Å; K361-E364 PolarHBondContact O-N 3.27Å; L362-E364 PolarHBondContact O-N 3.11Å
365	M	91.5	Very high	86.1	Confident	20 Å²	20	67.8 Å²	67.8	10%	0.099	32%	0.323	C	S	.	.			trans	-81.9	117.6	-176.2	-69.4	-72.4	-67	0	0	112.6	W357 K360 K361 L362 D369 W370 F373 R391	W357-M365 HydrophobicContact CB-CE 3.72Å; W357-M365 HydrophobicContact CB-SD 3.64Å; K360-M365 HydrophobicContact CB-SD 4.28Å; K361-M365 WeakPolarHBondContact O-CG 3.4Å; L362-M365 WeakPolarHBondContact O-CB 3.49Å; L362-M365 WeakPolarHBondContact O-CG 3.06Å; L362-M365 PolarHBondContact O-N 2.72Å; M365-D369 HydrophobicContact CE-CB 3.71Å; M365-D369 HydrophobicContact SD-CB 3.97Å; M365-W370 HydrophobicContact CB-CD2 4.28Å; M365-W370 HydrophobicContact CB-CZ2 3.73Å; M365-W370 HydrophobicContact CE-CD2 3.6Å; M365-W370 HydrophobicContact CE-CE3 3.55Å; M365-W370 HydrophobicContact CE-CG 4.18Å; M365-W370 HydrophobicContact CE-CH2 4.2Å; M365-W370 HydrophobicContact CE-CZ2 4.21Å; M365-W370 HydrophobicContact CE-CZ3 3.86Å; M365-W370 HydrophobicContact CG-CH2 4.35Å; M365-W370 HydrophobicContact CG-CZ2 3.85Å; M365-F373 HydrophobicContact CE-CB 4.5Å; M365-R391 PolarHBondContact SD-NH1 3.33Å
366	T	89.5	Confident	85.8	Confident	71 Å²	71	70.3 Å²	70.3	44%	0.436	34%	0.339	S	S	.	.			trans	-88.2	164.1	171.2	68.7	0	0	0	0	112	R368 D369 W370	T366-R368 PolarHBondContact O-N 2.84Å; T366-R368 VanDerWaalsContact O-N 3.16Å; T366-D369 WeakPolarHBondContact CB-OD2 3.31Å; T366-D369 PolarHBondContact N-OD2 3.34Å; T366-D369 CarbonylContact O-C 3.26Å; T366-D369 WeakPolarHBondContact O-CA 3.26Å; T366-D369 WeakPolarHBondContact O-CB 3.18Å; T366-D369 PolarHBondContact O-N 3.21Å; T366-D369 VanDerWaalsContact OG1-CG 3.24Å; T366-D369 PolarHBondContact OG1-N 2.86Å; T366-D369 PolarHBondContact OG1-OD2 3.4Å; T366-W370 VanDerWaalsContact O-CD1 3.26Å; T366-W370 PolarHBondContact O-N 2.79Å
367	D	78.6	Confident	85.9	Confident	133 Å²	133	69.3 Å²	69.3	71%	0.711	33%	0.332	S	S	*	.	H	α-helix	trans	-56.6	-30.7	174.1	-64.8	-24.5	0	0	0	113.3	W370 R371	D367-W370 PolarHBondContact O-N 2.82Å; D367-R371 PolarHBondContact O-N 3.19Å
368	R	79.8	Confident	85.6	Confident	109 Å²	109	70.7 Å²	70.7	41%	0.411	35%	0.347	S	S	.	.	H	α-helix	trans	-63.5	-43.8	171.5	177	-172.8	170.8	-80.9	10.4	111.1	D354 T366 W370 R371 I372	D354-R368 IonicContact OD1-CZ 2.86Å; D354-R368 IonicContact OD1-NH2 3.27Å; D354-R368 PolarHBondContact OD1-NH2 3.33Å; T366-R368 PolarHBondContact O-N 2.84Å; T366-R368 VanDerWaalsContact O-N 3.16Å; R368-W370 VanDerWaalsContact C-N 3.35Å; R368-R371 PolarHBondContact O-N 3.36Å; R368-I372 HydrophobicContact CG-CD1 4.18Å; R368-I372 WeakPolarHBondContact O-CG1 3.49Å; R368-I372 PolarHBondContact O-N 3.09Å
369	D	83.8	Confident	85.5	Confident	3 Å²	3	67.5 Å²	67.5	2%	0.016	32%	0.324	C	S	.	.	H	α-helix	trans	-69.7	-35.6	178.2	-53.4	-53.7	0	0	0	111.1	K360 M365 T366 R371 I372 F373	K360-D369 IonicContact NZ-OD1 3.69Å; K360-D369 PolarHBondContact NZ-OD1 2.92Å; K360-D369 IonicContact NZ-OD2 3.79Å; K360-D369 PolarHBondContact NZ-OD2 2.94Å; M365-D369 HydrophobicContact CE-CB 3.71Å; M365-D369 HydrophobicContact SD-CB 3.97Å; T366-D369 WeakPolarHBondContact CB-OD2 3.31Å; T366-D369 PolarHBondContact N-OD2 3.34Å; T366-D369 CarbonylContact O-C 3.26Å; T366-D369 WeakPolarHBondContact O-CA 3.26Å; T366-D369 WeakPolarHBondContact O-CB 3.18Å; T366-D369 PolarHBondContact O-N 3.21Å; T366-D369 VanDerWaalsContact OG1-CG 3.24Å; T366-D369 PolarHBondContact OG1-N 2.86Å; T366-D369 PolarHBondContact OG1-OD2 3.4Å; D369-R371 VanDerWaalsContact C-N 3.3Å; D369-R371 PolarHBondContact O-N 2.74Å; D369-I372 PolarHBondContact O-N 2.94Å; D369-F373 VanDerWaalsContact O-CB 3.23Å; D369-F373 WeakPolarHBondContact O-CB 3.26Å; D369-F373 PolarHBondContact O-N 2.99Å
370	W	84.7	Confident	85	Confident	11 Å²	11	65.1 Å²	65.1	4%	0.042	32%	0.319	C	S	.	.	H	α-helix	trans	-69.6	-23.2	171.5	-70.2	124.1	0	0	0	114	L362 M365 T366 D367 R368 F373 R374 N388 P389 R391	L362-W370 HydrophobicContact CD1-CH2 3.6Å; L362-W370 HydrophobicContact CD1-CZ2 3.67Å; M365-W370 HydrophobicContact CB-CD2 4.28Å; M365-W370 HydrophobicContact CB-CZ2 3.73Å; M365-W370 HydrophobicContact CE-CD2 3.6Å; M365-W370 HydrophobicContact CE-CE3 3.55Å; M365-W370 HydrophobicContact CE-CG 4.18Å; M365-W370 HydrophobicContact CE-CH2 4.2Å; M365-W370 HydrophobicContact CE-CZ2 4.21Å; M365-W370 HydrophobicContact CE-CZ3 3.86Å; M365-W370 HydrophobicContact CG-CH2 4.35Å; M365-W370 HydrophobicContact CG-CZ2 3.85Å; T366-W370 VanDerWaalsContact O-CD1 3.26Å; T366-W370 PolarHBondContact O-N 2.79Å; D367-W370 PolarHBondContact O-N 2.82Å; R368-W370 VanDerWaalsContact C-N 3.35Å; W370-F373 HydrophobicContact CE3-CB 4.43Å; W370-F373 HydrophobicContact CE3-CG 4.33Å; W370-F373 HydrophobicContact CZ3-CG 4.49Å; W370-R374 WeakPolarHBondContact O-CG 3.22Å; W370-R374 PolarHBondContact O-N 2.92Å; W370-R374 PolarHBondContact O-NH1 3.35Å; W370-N388 HydrophobicContact CD2-CB 3.97Å; W370-N388 HydrophobicContact CE3-CB 4.23Å; W370-N388 HydrophobicContact CH2-CB 3.99Å; W370-N388 HydrophobicContact CZ2-CB 3.74Å; W370-N388 HydrophobicContact CZ3-CB 4.24Å; W370-N388 PolarHBondContact NE1-ND2 3.35Å; W370-P389 HydrophobicContact CE3-CG 3.84Å; W370-P389 WeakPolarHBondContact CH2-O 3.32Å; W370-P389 HydrophobicContact CZ3-CG 3.89Å; W370-P389 WeakPolarHBondContact CZ3-O 3.38Å; W370-R391 HydrophobicContact CH2-CG 3.51Å; W370-R391 HydrophobicContact CZ3-CG 3.71Å
371	R	77.2	Confident	84.5	Confident	149 Å²	149	66.4 Å²	66.4	56%	0.562	33%	0.328	S	S	*	.	H	α-helix	trans	-76.6	-48.2	169.7	-157.5	-175.8	70	-142	-2.2	110.8	D367 R368 D369 F373 R374 E375	D367-R371 PolarHBondContact O-N 3.19Å; R368-R371 PolarHBondContact O-N 3.36Å; D369-R371 VanDerWaalsContact C-N 3.3Å; D369-R371 PolarHBondContact O-N 2.74Å; R371-F373 VanDerWaalsContact C-N 3.32Å; R371-F373 PolarHBondContact O-N 3.16Å; R371-R374 CarbonylContact O-C 3.59Å; R371-R374 WeakPolarHBondContact O-CA 3.23Å; R371-R374 PolarHBondContact O-N 2.95Å; R371-E375 WeakPolarHBondContact CD-OE1 3.29Å; R371-E375 WeakPolarHBondContact CG-OE1 3.15Å; R371-E375 IonicContact CZ-OE1 2.64Å; R371-E375 IonicContact NE-OE1 3.44Å; R371-E375 PolarHBondContact NE-OE1 2.91Å; R371-E375 IonicContact NH2-OE1 3.56Å; R371-E375 WeakPolarHBondContact O-CG 3.33Å; R371-E375 PolarHBondContact O-N 2.61Å
372	I	76.8	Confident	83.6	Confident	36 Å²	36	67.6 Å²	67.6	19%	0.185	33%	0.333	C	S	.	.	H	α-helix	trans	-57.3	-45.7	175.1	-67.2	165.8	0	0	0	110.6	R368 D369 R374 E375 D376	R368-I372 HydrophobicContact CG-CD1 4.18Å; R368-I372 WeakPolarHBondContact O-CG1 3.49Å; R368-I372 PolarHBondContact O-N 3.09Å; D369-I372 PolarHBondContact O-N 2.94Å; I372-R374 VanDerWaalsContact C-N 3.26Å; I372-R374 PolarHBondContact O-N 2.83Å; I372-E375 CarbonylContact O-C 3.51Å; I372-E375 WeakPolarHBondContact O-CA 3.5Å; I372-E375 WeakPolarHBondContact O-CB 3.19Å; I372-E375 PolarHBondContact O-N 2.7Å; I372-E375 VanDerWaalsContact O-N 3.07Å; I372-D376 WeakPolarHBondContact CG2-OD2 3.33Å; I372-D376 VanDerWaalsContact O-CG 3.23Å; I372-D376 PolarHBondContact O-N 2.77Å
373	F	86.1	Confident	82.5	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-54.2	-41.1	174.4	-175.3	-78.1	0	0	0	112.9	W357 M365 D369 W370 R371 Y377 P389 I390 R391	W357-F373 HydrophobicContact CB-CD2 4.5Å; W357-F373 AromaticContact CD2-CD2 3.46Å; W357-F373 HydrophobicContact CD2-CD2 3.46Å; W357-F373 VanDerWaalsContact CD2-CD2 3.46Å; W357-F373 AromaticContact CD2-CE2 3.99Å; W357-F373 HydrophobicContact CD2-CE2 3.99Å; W357-F373 HydrophobicContact CD2-CG 4.49Å; W357-F373 AromaticContact CE2-CD2 3.73Å; W357-F373 AromaticContact CE3-CD2 3.68Å; W357-F373 HydrophobicContact CE3-CD2 3.68Å; W357-F373 AromaticContact CE3-CE2 3.74Å; W357-F373 HydrophobicContact CE3-CE2 3.74Å; W357-F373 HydrophobicContact CG-CB 4.31Å; W357-F373 AromaticContact CG-CD2 3.81Å; W357-F373 HydrophobicContact CG-CD2 3.81Å; W357-F373 HydrophobicContact CH2-CD2 4.44Å; W357-F373 HydrophobicContact CH2-CE2 4.12Å; W357-F373 HydrophobicContact CZ2-CD2 4.23Å; W357-F373 HydrophobicContact CZ2-CE2 4.31Å; W357-F373 HydrophobicContact CZ3-CD2 4.18Å; W357-F373 AromaticContact CZ3-CE2 3.82Å; W357-F373 HydrophobicContact CZ3-CE2 3.82Å; M365-F373 HydrophobicContact CE-CB 4.5Å; D369-F373 VanDerWaalsContact O-CB 3.23Å; D369-F373 WeakPolarHBondContact O-CB 3.26Å; D369-F373 PolarHBondContact O-N 2.99Å; W370-F373 HydrophobicContact CE3-CB 4.43Å; W370-F373 HydrophobicContact CE3-CG 4.33Å; W370-F373 HydrophobicContact CZ3-CG 4.49Å; R371-F373 VanDerWaalsContact C-N 3.32Å; R371-F373 PolarHBondContact O-N 3.16Å; F373-Y377 AromaticContact CD1-CD2 3.94Å; F373-Y377 HydrophobicContact CD1-CD2 3.94Å; F373-Y377 HydrophobicContact CD1-CE2 4.49Å; F373-Y377 HydrophobicContact CD2-CD2 4.45Å; F373-Y377 HydrophobicContact CD2-CE2 4.29Å; F373-Y377 AromaticContact CE1-CD2 3.59Å; F373-Y377 HydrophobicContact CE1-CD2 3.59Å; F373-Y377 AromaticContact CE1-CE2 3.94Å; F373-Y377 HydrophobicContact CE1-CE2 3.94Å; F373-Y377 HydrophobicContact CE2-CD2 4.14Å; F373-Y377 AromaticContact CE2-CE2 3.72Å; F373-Y377 HydrophobicContact CE2-CE2 3.72Å; F373-Y377 HydrophobicContact CG-CD2 4.35Å; F373-Y377 AromaticContact CZ-CD2 3.7Å; F373-Y377 HydrophobicContact CZ-CD2 3.7Å; F373-Y377 AromaticContact CZ-CE2 3.52Å; F373-Y377 HydrophobicContact CZ-CE2 3.52Å; F373-Y377 WeakPolarHBondContact O-CD2 3.35Å; F373-Y377 PolarHBondContact O-N 2.79Å; F373-P389 HydrophobicContact CD1-CB 4.23Å; F373-P389 HydrophobicContact CD1-CG 3.47Å; F373-P389 VanDerWaalsContact CD1-CG 3.47Å; F373-P389 HydrophobicContact CE1-CB 3.77Å; F373-P389 HydrophobicContact CE1-CG 3.52Å; F373-P389 HydrophobicContact CG-CG 4.47Å; F373-I390 WeakPolarHBondContact CZ-O 3.32Å; F373-R391 HydrophobicContact CE2-CB 4.06Å; F373-R391 HydrophobicContact CE2-CG 4.08Å
374	R	83.1	Confident	81.5	Confident	39 Å²	39	61.5 Å²	61.5	15%	0.147	32%	0.318	C	S	.	.	H	α-helix	trans	-73.7	-38.6	176.7	-74.5	-178.4	-171.2	103.2	-12.2	111.5	W370 R371 I372 Y377 S378 I379 P387 P389	W370-R374 WeakPolarHBondContact O-CG 3.22Å; W370-R374 PolarHBondContact O-N 2.92Å; W370-R374 PolarHBondContact O-NH1 3.35Å; R371-R374 CarbonylContact O-C 3.59Å; R371-R374 WeakPolarHBondContact O-CA 3.23Å; R371-R374 PolarHBondContact O-N 2.95Å; I372-R374 VanDerWaalsContact C-N 3.26Å; I372-R374 PolarHBondContact O-N 2.83Å; R374-Y377 CarbonylContact O-C 3.52Å; R374-S378 CarbonylContact O-C 3.58Å; R374-S378 WeakPolarHBondContact O-CA 3.41Å; R374-S378 PolarHBondContact O-N 2.93Å; R374-I379 HydrophobicContact CB-CB 4.2Å; R374-I379 HydrophobicContact CG-CB 4.22Å; R374-I379 PolarHBondContact O-N 2.97Å; R374-P387 PolarHBondContact NH2-O 2.94Å; R374-P389 HydrophobicContact CG-CG 4.33Å
375	E	74.9	Confident	81	Confident	106 Å²	106	65.1 Å²	65.1	50%	0.495	33%	0.333	S	S	.	.	H	α-helix	trans	-59.4	-49.9	173.2	-69.2	162.9	-165.1	0	0	110.8	R371 I372 Y377 S378	R371-E375 WeakPolarHBondContact CD-OE1 3.29Å; R371-E375 WeakPolarHBondContact CG-OE1 3.15Å; R371-E375 IonicContact CZ-OE1 2.64Å; R371-E375 IonicContact NE-OE1 3.44Å; R371-E375 PolarHBondContact NE-OE1 2.91Å; R371-E375 IonicContact NH2-OE1 3.56Å; R371-E375 WeakPolarHBondContact O-CG 3.33Å; R371-E375 PolarHBondContact O-N 2.61Å; I372-E375 CarbonylContact O-C 3.51Å; I372-E375 WeakPolarHBondContact O-CA 3.5Å; I372-E375 WeakPolarHBondContact O-CB 3.19Å; I372-E375 PolarHBondContact O-N 2.7Å; I372-E375 VanDerWaalsContact O-N 3.07Å; E375-Y377 PolarHBondContact O-N 3.13Å; E375-S378 WeakPolarHBondContact O-CA 3.35Å; E375-S378 PolarHBondContact O-N 3.5Å
376	D	79	Confident	80.8	Confident	81 Å²	81	65.6 Å²	65.6	43%	0.433	34%	0.336	S	S	.	.	H	α-helix	trans	-60.6	-45.3	179.7	-65.3	-37.3	0	0	0	112.9	H356 W357 I372 S378	H356-D376 IonicContact NE2-OD2 2.69Å; H356-D376 PolarHBondContact NE2-OD2 2.83Å; W357-D376 PolarHBondContact NE1-OD2 3.4Å; I372-D376 WeakPolarHBondContact CG2-OD2 3.33Å; I372-D376 VanDerWaalsContact O-CG 3.23Å; I372-D376 PolarHBondContact O-N 2.77Å; D376-S378 PolarHBondContact O-N 3.31Å
377	Y	85.2	Confident	81.1	Confident	60 Å²	60	63.2 Å²	63.2	24%	0.235	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	6.4	175.2	-73.8	-64.1	0	0	0	113.4	W357 F373 R374 E375 I379 P416 R419	W357-Y377 AromaticContact CH2-CE2 3.68Å; W357-Y377 HydrophobicContact CH2-CE2 3.68Å; W357-Y377 AromaticContact CH2-CZ 3.92Å; W357-Y377 WeakPolarHBondContact CH2-OH 3.38Å; W357-Y377 HydrophobicContact CZ2-CD2 4.46Å; W357-Y377 AromaticContact CZ2-CE2 3.6Å; W357-Y377 HydrophobicContact CZ2-CE2 3.6Å; F373-Y377 AromaticContact CD1-CD2 3.94Å; F373-Y377 HydrophobicContact CD1-CD2 3.94Å; F373-Y377 HydrophobicContact CD1-CE2 4.49Å; F373-Y377 HydrophobicContact CD2-CD2 4.45Å; F373-Y377 HydrophobicContact CD2-CE2 4.29Å; F373-Y377 AromaticContact CE1-CD2 3.59Å; F373-Y377 HydrophobicContact CE1-CD2 3.59Å; F373-Y377 AromaticContact CE1-CE2 3.94Å; F373-Y377 HydrophobicContact CE1-CE2 3.94Å; F373-Y377 HydrophobicContact CE2-CD2 4.14Å; F373-Y377 AromaticContact CE2-CE2 3.72Å; F373-Y377 HydrophobicContact CE2-CE2 3.72Å; F373-Y377 HydrophobicContact CG-CD2 4.35Å; F373-Y377 AromaticContact CZ-CD2 3.7Å; F373-Y377 HydrophobicContact CZ-CD2 3.7Å; F373-Y377 AromaticContact CZ-CE2 3.52Å; F373-Y377 HydrophobicContact CZ-CE2 3.52Å; F373-Y377 WeakPolarHBondContact O-CD2 3.35Å; F373-Y377 PolarHBondContact O-N 2.79Å; R374-Y377 CarbonylContact O-C 3.52Å; E375-Y377 PolarHBondContact O-N 3.13Å; Y377-I379 PolarHBondContact O-N 3.09Å; Y377-P416 HydrophobicContact CD1-CG 4.04Å; Y377-R419 VanDerWaalsContact OH-CZ 3.31Å; Y377-R419 PolarHBondContact OH-NH2 2.95Å
378	S	83.8	Confident	81.9	Confident	62 Å²	62	60.2 Å²	60.2	43%	0.434	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	32.2	-179.2	-55.9	0	0	0	0	114.9	R374 E375 D376 G630	R374-S378 CarbonylContact O-C 3.58Å; R374-S378 WeakPolarHBondContact O-CA 3.41Å; R374-S378 PolarHBondContact O-N 2.93Å; E375-S378 WeakPolarHBondContact O-CA 3.35Å; E375-S378 PolarHBondContact O-N 3.5Å; D376-S378 PolarHBondContact O-N 3.31Å; S378-G630 WeakPolarHBondContact O-CA 3.45Å; S378-G630 PolarHBondContact O-N 3.01Å
379	I	84.9	Confident	82.7	Confident	8 Å²	8	55.2 Å²	55.2	4%	0.041	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	120.7	-179.4	-50.2	-179.8	0	0	0	109.6	R374 Y377 T381 P416 R419 Q420 V627 I629	R374-I379 HydrophobicContact CB-CB 4.2Å; R374-I379 HydrophobicContact CG-CB 4.22Å; R374-I379 PolarHBondContact O-N 2.97Å; Y377-I379 PolarHBondContact O-N 3.09Å; I379-T381 HydrophobicContact CG2-CG2 4.17Å; I379-P416 HydrophobicContact CD1-CB 4.31Å; I379-P416 WeakPolarHBondContact CD1-O 3.34Å; I379-P416 HydrophobicContact CG1-CB 4.14Å; I379-R419 HydrophobicContact CD1-CB 4.35Å; I379-Q420 HydrophobicContact CD1-CB 4.21Å; I379-Q420 HydrophobicContact CG2-CB 3.84Å; I379-Q420 HydrophobicContact CG2-CG 3.9Å; I379-V627 HydrophobicContact CG2-CG1 4.16Å; I379-I629 HydrophobicContact CB-CD1 4.27Å; I379-I629 HydrophobicContact CG1-CD1 3.9Å; I379-I629 HydrophobicContact CG2-CD1 4.03Å
380	T	79.5	Confident	83.4	Confident	83 Å²	83	55.7 Å²	55.7	51%	0.509	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	140.8	168.7	-64.1	0	0	0	0	109.7	Y628	T380-Y628 PolarHBondContact N-O 2.62Å; T380-Y628 PolarHBondContact O-N 3.42Å
381	T	80.4	Confident	83.9	Confident	42 Å²	42	56.2 Å²	56.2	26%	0.258	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	149.2	-177.4	54.8	0	0	0	0	113.4	I379 I386 Q420 V626 V627	I379-T381 HydrophobicContact CG2-CG2 4.17Å; T381-I386 HydrophobicContact CG2-CG2 4.25Å; T381-Q420 HydrophobicContact CG2-CG 3.63Å; T381-V626 CarbonylContact C-O 3.55Å; T381-V626 WeakPolarHBondContact CA-O 3.47Å; T381-V627 HydrophobicContact CG2-CG2 4.47Å
382	K	75.8	Confident	84.8	Confident	148 Å²	148	50.2 Å²	50.2	64%	0.643	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.1	154.4	167.5	-54	-179.9	178.9	178.3	0	110.3	A625 V626	K382-A625 CarbonylContact O-C 3.47Å; K382-A625 WeakPolarHBondContact O-CA 3.39Å; K382-V626 HydrophobicContact CB-CB 3.95Å; K382-V626 HydrophobicContact CB-CG2 4.07Å; K382-V626 HydrophobicContact CD-CG2 4.41Å; K382-V626 HydrophobicContact CG-CB 4.33Å; K382-V626 PolarHBondContact N-O 2.94Å; K382-V626 PolarHBondContact O-N 3.31Å
383	G	69.8	Low	85.7	Confident	42 Å²	42	49.3 Å²	49.3	43%	0.433	27%	0.266	S	S	.	.	S	Bend	trans	112.4	156.4	-171.1	0	0	0	0	0	111.2	I386	G383-I386 WeakPolarHBondContact O-CG1 3.29Å
384	G	74.3	Confident	86.2	Confident	32 Å²	32	58.8 Å²	58.8	33%	0.33	31%	0.308	S	S	.	.	S	Bend	trans	-72.3	158.6	177.6	0	0	0	0	0	112.6	I386 R429 E583	G384-I386 VanDerWaalsContact C-N 3.34Å; G384-I386 PolarHBondContact O-N 3.34Å; G384-R429 PolarHBondContact O-NH1 3.48Å; G384-R429 PolarHBondContact O-NH2 3.28Å; G384-E583 PolarHBondContact N-OE2 3.07Å
385	K	83.1	Confident	86.7	Confident	132 Å²	132	59.4 Å²	59.4	57%	0.574	31%	0.314	S	S	*	.	S	Bend	trans	38.5	54.8	168.6	-57.4	179.7	176.1	-174.9	0	114	R429 D584 P585	K385-R429 PolarHBondContact O-NH1 3.21Å; K385-D584 IonicContact NZ-OD2 3.05Å; K385-D584 PolarHBondContact NZ-OD2 3.2Å; K385-P585 HydrophobicContact CB-CG 3.53Å; K385-P585 HydrophobicContact CD-CG 3.9Å; K385-P585 HydrophobicContact CG-CG 4.38Å
386	I	87.6	Confident	87.7	Confident	31 Å²	31	55.2 Å²	55.2	16%	0.159	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-72.7	126.4	-175.6	-60.4	-64.2	0	0	0	110.3	T381 G383 G384 I424 A625	T381-I386 HydrophobicContact CG2-CG2 4.25Å; G383-I386 WeakPolarHBondContact O-CG1 3.29Å; G384-I386 VanDerWaalsContact C-N 3.34Å; G384-I386 PolarHBondContact O-N 3.34Å; I386-I424 HydrophobicContact CG2-CD1 4.32Å; I386-A625 HydrophobicContact CD1-CB 3.72Å
387	P	94.8	Very high	88.5	Confident	21 Å²	21	57.3 Å²	57.3	14%	0.136	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-62.9	155.2	178.1	24.8	-34.4	0	0	0	112.9	R374 Q420 P423 I424	R374-P387 PolarHBondContact NH2-O 2.94Å; P387-Q420 PolarHBondContact O-NE2 3.21Å; P387-P423 HydrophobicContact CB-CB 3.93Å; P387-P423 HydrophobicContact CG-CB 3.89Å; P387-I424 HydrophobicContact CG-CB 4.43Å; P387-I424 HydrophobicContact CG-CG1 3.66Å
388	N	95.9	Very high	89	Confident	70 Å²	70	55 Å²	55	37%	0.374	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-70.4	139.6	-179.5	-73.2	-33	0	0	0	112	W370 P423	W370-N388 HydrophobicContact CD2-CB 3.97Å; W370-N388 HydrophobicContact CE3-CB 4.23Å; W370-N388 HydrophobicContact CH2-CB 3.99Å; W370-N388 HydrophobicContact CZ2-CB 3.74Å; W370-N388 HydrophobicContact CZ3-CB 4.24Å; W370-N388 PolarHBondContact NE1-ND2 3.35Å; N388-P423 WeakPolarHBondContact O-CG 3.39Å
389	P	96.3	Very high	89.6	Confident	3 Å²	3	53.4 Å²	53.4	2%	0.019	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-73.8	154.8	-176.7	29.7	-36.3	0	0	0	113.1	W370 F373 R374 R391 R419 Q420	W370-P389 HydrophobicContact CE3-CG 3.84Å; W370-P389 WeakPolarHBondContact CH2-O 3.32Å; W370-P389 HydrophobicContact CZ3-CG 3.89Å; W370-P389 WeakPolarHBondContact CZ3-O 3.38Å; F373-P389 HydrophobicContact CD1-CB 4.23Å; F373-P389 HydrophobicContact CD1-CG 3.47Å; F373-P389 VanDerWaalsContact CD1-CG 3.47Å; F373-P389 HydrophobicContact CE1-CB 3.77Å; F373-P389 HydrophobicContact CE1-CG 3.52Å; F373-P389 HydrophobicContact CG-CG 4.47Å; R374-P389 HydrophobicContact CG-CG 4.33Å; P389-R391 PolarHBondContact O-N 2.91Å; P389-R419 CarbonylContact C-O 3.56Å; P389-R419 WeakPolarHBondContact CA-O 3.28Å; P389-R419 HydrophobicContact CB-CB 4.2Å; P389-R419 WeakPolarHBondContact CB-O 3.46Å; P389-Q420 HydrophobicContact CB-CB 4.29Å
390	I	97.8	Very high	90.2	Very high	13 Å²	13	58.2 Å²	58.2	7%	0.067	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-69.5	123.8	179.6	-59.8	174.7	0	0	0	110.7	F373 S392 W393 P414 R419 I422 P423	F373-I390 WeakPolarHBondContact CZ-O 3.32Å; I390-S392 WeakPolarHBondContact CG2-O 3.21Å; I390-W393 HydrophobicContact CD1-CZ3 4.4Å; I390-P414 HydrophobicContact CB-CG 4.48Å; I390-P414 HydrophobicContact CG2-CG 3.98Å; I390-R419 PolarHBondContact N-O 3.03Å; I390-R419 VanDerWaalsContact O-CG 3.29Å; I390-R419 WeakPolarHBondContact O-CG 3.5Å; I390-R419 PolarHBondContact O-NH1 3.35Å; I390-I422 HydrophobicContact CD1-CB 3.99Å; I390-I422 HydrophobicContact CD1-CD1 4.49Å; I390-I422 HydrophobicContact CD1-CG2 3.88Å; I390-P423 HydrophobicContact CD1-CG 4.25Å; I390-P423 HydrophobicContact CG1-CG 3.78Å
391	R	95.2	Very high	91	Very high	23 Å²	23	57.5 Å²	57.5	9%	0.087	32%	0.319	C	S	.	.	S	Bend	trans	-81.5	-35.2	179.2	-46.8	-166.7	-40.3	145.8	13.3	113.8	W357 K360 K361 L362 M365 W370 F373 P389 D395 R419	W357-R391 PolarHBondContact O-NH1 2.74Å; K360-R391 PolarHBondContact O-NH1 2.9Å; K360-R391 PolarHBondContact O-NH2 2.82Å; K361-R391 PolarHBondContact O-NH1 3.48Å; L362-R391 HydrophobicContact CD1-CG 3.95Å; M365-R391 PolarHBondContact SD-NH1 3.33Å; W370-R391 HydrophobicContact CH2-CG 3.51Å; W370-R391 HydrophobicContact CZ3-CG 3.71Å; F373-R391 HydrophobicContact CE2-CB 4.06Å; F373-R391 HydrophobicContact CE2-CG 4.08Å; P389-R391 PolarHBondContact O-N 2.91Å; R391-D395 HydrophobicContact CB-CB 4.19Å; R391-D395 WeakPolarHBondContact CB-OD2 3.38Å; R391-D395 IonicContact CZ-OD2 2.6Å; R391-D395 IonicContact NE-OD2 2.73Å; R391-D395 PolarHBondContact NE-OD2 2.76Å; R391-D395 IonicContact NH2-OD1 2.66Å; R391-D395 IonicContact NH2-OD2 2.64Å; R391-D395 PolarHBondContact NH2-OD2 3.04Å; R391-R419 VanDerWaalsContact C-NH1 3.27Å; R391-R419 PolarHBondContact O-NH1 3.19Å
392	S	96.1	Very high	91.8	Very high	22 Å²	22	55.7 Å²	55.7	15%	0.154	31%	0.308	C	S	.	.	S	Bend	trans	-159.7	163.3	170.6	68.4	0	0	0	0	107.3	I390 K394 D395 S396	I390-S392 WeakPolarHBondContact CG2-O 3.21Å; S392-K394 PolarHBondContact O-N 3.31Å; S392-D395 PolarHBondContact O-N 3.13Å; S392-D395 VanDerWaalsContact O-N 3.1Å; S392-D395 PolarHBondContact OG-N 2.81Å; S392-S396 PolarHBondContact O-N 2.71Å
393	W	96.9	Very high	92.9	Very high	17 Å²	17	50.8 Å²	50.8	6%	0.064	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-60.1	-30.3	176.6	-60.4	123.7	0	0	0	113	I390 S396 L398 L403 I406 Y411 P414 Q418 I422 I447	I390-W393 HydrophobicContact CD1-CZ3 4.4Å; W393-S396 WeakPolarHBondContact O-CB 3.21Å; W393-S396 PolarHBondContact O-N 3.32Å; W393-S396 PolarHBondContact O-OG 3.35Å; W393-L398 HydrophobicContact CE3-CD1 3.88Å; W393-L398 HydrophobicContact CZ3-CD1 3.94Å; W393-L403 HydrophobicContact CB-CD2 3.94Å; W393-L403 VanDerWaalsContact O-CD2 3.31Å; W393-L403 WeakPolarHBondContact O-CD2 3.29Å; W393-I406 HydrophobicContact CD2-CD1 4.45Å; W393-I406 HydrophobicContact CD2-CG2 3.83Å; W393-I406 HydrophobicContact CE3-CD1 4.07Å; W393-I406 HydrophobicContact CE3-CG2 4.49Å; W393-I406 HydrophobicContact CG-CG2 3.97Å; W393-I406 HydrophobicContact CH2-CD1 4.42Å; W393-I406 HydrophobicContact CZ2-CG2 4.04Å; W393-I406 HydrophobicContact CZ3-CD1 4.07Å; W393-Y411 PolarHBondContact NE1-O 2.9Å; W393-P414 HydrophobicContact CD2-CB 4.23Å; W393-P414 HydrophobicContact CD2-CG 4.17Å; W393-P414 HydrophobicContact CE3-CB 4.32Å; W393-P414 HydrophobicContact CE3-CG 4.4Å; W393-P414 HydrophobicContact CH2-CB 3.7Å; W393-P414 HydrophobicContact CZ2-CB 3.57Å; W393-P414 HydrophobicContact CZ2-CG 4.36Å; W393-P414 HydrophobicContact CZ3-CB 4.07Å; W393-Q418 HydrophobicContact CH2-CB 4.43Å; W393-I422 HydrophobicContact CH2-CD1 3.82Å; W393-I422 HydrophobicContact CZ3-CD1 3.81Å; W393-I447 HydrophobicContact CH2-CD1 3.57Å; W393-I447 HydrophobicContact CZ2-CD1 4.48Å; W393-I447 HydrophobicContact CZ3-CD1 3.92Å
394	K	94.9	Very high	94.2	Very high	200 Å²	200	53.7 Å²	53.7	87%	0.87	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-74.4	-25.9	177.3	-63.5	-177.2	179.9	-179.3	0	113.6	S392 S396	S392-K394 PolarHBondContact O-N 3.31Å; K394-S396 VanDerWaalsContact C-N 3.27Å
395	D	94.8	Very high	95.3	Very high	52 Å²	52	52.6 Å²	52.6	28%	0.278	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-86.2	6.2	171	-72.7	-19.6	0	0	0	112.3	L362 R391 S392	L362-D395 HydrophobicContact CD2-CB 4.43Å; L362-D395 WeakPolarHBondContact CD2-O 3.41Å; R391-D395 HydrophobicContact CB-CB 4.19Å; R391-D395 WeakPolarHBondContact CB-OD2 3.38Å; R391-D395 IonicContact CZ-OD2 2.6Å; R391-D395 IonicContact NE-OD2 2.73Å; R391-D395 PolarHBondContact NE-OD2 2.76Å; R391-D395 IonicContact NH2-OD1 2.66Å; R391-D395 IonicContact NH2-OD2 2.64Å; R391-D395 PolarHBondContact NH2-OD2 3.04Å; S392-D395 PolarHBondContact O-N 3.13Å; S392-D395 VanDerWaalsContact O-N 3.1Å; S392-D395 PolarHBondContact OG-N 2.81Å
396	S	95.6	Very high	95.9	Very high	17 Å²	17	46.5 Å²	46.5	12%	0.119	25%	0.252	C	S	.	.	S	Bend	trans	-97.3	143.9	-178.9	81	0	0	0	0	112.1	S392 W393 K394 L398	S392-S396 PolarHBondContact O-N 2.71Å; W393-S396 WeakPolarHBondContact O-CB 3.21Å; W393-S396 PolarHBondContact O-N 3.32Å; W393-S396 PolarHBondContact O-OG 3.35Å; K394-S396 VanDerWaalsContact C-N 3.27Å; S396-L398 PolarHBondContact O-N 2.7Å; S396-L398 WeakPolarHBondContact OG-CD1 3.03Å; S396-L398 WeakPolarHBondContact OG-CG 3.4Å
397	S	94.9	Very high	96.3	Very high	126 Å²	126	50.2 Å²	50.2	88%	0.881	27%	0.272	S	S	*	.			trans	-76.3	27.5	173.9	-45.2	0	0	0	0	113.5
398	L	96.8	Very high	96.3	Very high	12 Å²	12	56.4 Å²	56.4	6%	0.063	30%	0.297	C	S	.	.			trans	-76.7	144.6	179.3	-69.5	175.1	0	0	0	110.9	W393 S396 L403 I406 I422 L426 I447 V451	W393-L398 HydrophobicContact CE3-CD1 3.88Å; W393-L398 HydrophobicContact CZ3-CD1 3.94Å; S396-L398 PolarHBondContact O-N 2.7Å; S396-L398 WeakPolarHBondContact OG-CD1 3.03Å; S396-L398 WeakPolarHBondContact OG-CG 3.4Å; L398-L403 HydrophobicContact CB-CD1 4.46Å; L398-L403 HydrophobicContact CB-CD2 3.89Å; L398-L403 HydrophobicContact CB-CG 3.92Å; L398-L403 HydrophobicContact CD1-CD2 4.12Å; L398-L403 WeakPolarHBondContact O-CD1 3.41Å; L398-I406 HydrophobicContact CD1-CD1 3.77Å; L398-I422 HydrophobicContact CD2-CG2 4.31Å; L398-L426 HydrophobicContact CD2-CD1 3.95Å; L398-I447 HydrophobicContact CD1-CG2 3.91Å; L398-I447 HydrophobicContact CD2-CG2 3.65Å; L398-I447 HydrophobicContact CG-CG2 4.48Å; L398-V451 HydrophobicContact CD2-CG2 3.81Å
399	P	97.2	Very high	96.2	Very high	27 Å²	27	53.8 Å²	53.8	18%	0.175	28%	0.283	C	S	.	.			trans	-58.2	146.1	176.7	-24.9	34.4	0	0	0	113	H401 I402 L403 V451 T455	P399-H401 VanDerWaalsContact C-N 3.3Å; P399-H401 WeakPolarHBondContact CB-CE1 3.29Å; P399-H401 PolarHBondContact O-N 2.94Å; P399-I402 HydrophobicContact CB-CG1 4.16Å; P399-I402 HydrophobicContact CG-CG1 4.23Å; P399-I402 WeakPolarHBondContact O-CB 3.32Å; P399-I402 PolarHBondContact O-N 2.82Å; P399-L403 PolarHBondContact O-N 2.81Å; P399-L403 VanDerWaalsContact O-N 3.07Å; P399-V451 HydrophobicContact CG-CG1 4.19Å; P399-V451 HydrophobicContact CG-CG2 4.33Å; P399-T455 HydrophobicContact CG-CG2 4.42Å
400	P	97.3	Very high	96.1	Very high	109 Å²	109	55.8 Å²	55.8	71%	0.708	31%	0.305	S	S	*	.	H	α-helix	trans	-54.9	-38.8	-176.2	-28.8	35.8	0	0	0	114.7	I402 L403 E404	P400-I402 VanDerWaalsContact C-N 3.34Å; P400-I402 PolarHBondContact O-N 3.14Å; P400-L403 PolarHBondContact O-N 3.48Å; P400-E404 WeakPolarHBondContact O-CB 3.44Å; P400-E404 PolarHBondContact O-N 3.04Å
401	H	95.8	Very high	95.9	Very high	68 Å²	68	57.4 Å²	57.4	32%	0.315	31%	0.31	S	S	.	.	H	α-helix	trans	-69.8	-29	178.6	62.8	-80.3	0	0	0	113.3	P399 V405 T454	P399-H401 VanDerWaalsContact C-N 3.3Å; P399-H401 WeakPolarHBondContact CB-CE1 3.29Å; P399-H401 PolarHBondContact O-N 2.94Å; H401-V405 WeakPolarHBondContact O-CG2 3.34Å; H401-V405 PolarHBondContact O-N 3.02Å; H401-T454 WeakPolarHBondContact NE2-CB 3.46Å; H401-T454 PolarHBondContact NE2-OG1 2.85Å
402	I	97.6	Very high	95.8	Very high	4 Å²	4	64.1 Å²	64.1	2%	0.021	34%	0.34	C	S	.	.	H	α-helix	trans	-72.6	-42.4	172.9	-60.3	-60.7	0	0	0	110	P399 P400 E404 V405 I406 I447 L450 V451 L495	P399-I402 HydrophobicContact CB-CG1 4.16Å; P399-I402 HydrophobicContact CG-CG1 4.23Å; P399-I402 WeakPolarHBondContact O-CB 3.32Å; P399-I402 PolarHBondContact O-N 2.82Å; P400-I402 VanDerWaalsContact C-N 3.34Å; P400-I402 PolarHBondContact O-N 3.14Å; I402-E404 VanDerWaalsContact C-N 3.34Å; I402-E404 PolarHBondContact O-N 3Å; I402-V405 PolarHBondContact O-N 3.07Å; I402-I406 HydrophobicContact CG2-CD1 3.89Å; I402-I406 VanDerWaalsContact O-CG1 3.27Å; I402-I406 WeakPolarHBondContact O-CG1 3.47Å; I402-I406 PolarHBondContact O-N 2.83Å; I402-I447 HydrophobicContact CG2-CG2 4.29Å; I402-L450 HydrophobicContact CD1-CB 4.15Å; I402-V451 HydrophobicContact CG1-CG2 3.96Å; I402-V451 HydrophobicContact CG2-CG2 4.23Å; I402-L495 HydrophobicContact CD1-CD1 3.7Å; I402-L495 HydrophobicContact CD1-CD2 4.3Å
403	L	97.4	Very high	95.6	Very high	45 Å²	45	67.9 Å²	67.9	24%	0.236	36%	0.355	C	S	.	.	H	α-helix	trans	-61.8	-40.1	174.6	-69.1	173.8	0	0	0	112.4	W393 L398 P399 P400 I406 D407	W393-L403 HydrophobicContact CB-CD2 3.94Å; W393-L403 VanDerWaalsContact O-CD2 3.31Å; W393-L403 WeakPolarHBondContact O-CD2 3.29Å; L398-L403 HydrophobicContact CB-CD1 4.46Å; L398-L403 HydrophobicContact CB-CD2 3.89Å; L398-L403 HydrophobicContact CB-CG 3.92Å; L398-L403 HydrophobicContact CD1-CD2 4.12Å; L398-L403 WeakPolarHBondContact O-CD1 3.41Å; P399-L403 PolarHBondContact O-N 2.81Å; P399-L403 VanDerWaalsContact O-N 3.07Å; P400-L403 PolarHBondContact O-N 3.48Å; L403-I406 PolarHBondContact O-N 2.81Å; L403-D407 PolarHBondContact O-N 2.86Å
404	E	96.9	Very high	95.7	Very high	103 Å²	103	67.3 Å²	67.3	48%	0.481	35%	0.354	S	S	.	.	H	α-helix	trans	-62.7	-41	175.8	-167.4	-169.9	154.2	0	0	112.1	P400 I402 K408	P400-E404 WeakPolarHBondContact O-CB 3.44Å; P400-E404 PolarHBondContact O-N 3.04Å; I402-E404 VanDerWaalsContact C-N 3.34Å; I402-E404 PolarHBondContact O-N 3Å; E404-K408 HydrophobicContact CG-CD 4.21Å; E404-K408 VanDerWaalsContact O-CB 3.31Å; E404-K408 WeakPolarHBondContact O-CB 3.45Å; E404-K408 VanDerWaalsContact O-CG 3.31Å; E404-K408 WeakPolarHBondContact O-CG 3.43Å; E404-K408 PolarHBondContact O-N 3.26Å; E404-K408 WeakPolarHBondContact OE1-CE 3.34Å; E404-K408 IonicContact OE1-NZ 3.82Å; E404-K408 PolarHBondContact OE1-NZ 3.47Å
405	V	97.3	Very high	95.6	Very high	10 Å²	10	59.7 Å²	59.7	6%	0.061	32%	0.324	C	S	.	.	H	α-helix	trans	-69.3	-38.7	175.2	173.7	0	0	0	0	111.5	H401 I402 D407 K408 C409 F491 P494 L495	H401-V405 WeakPolarHBondContact O-CG2 3.34Å; H401-V405 PolarHBondContact O-N 3.02Å; I402-V405 PolarHBondContact O-N 3.07Å; V405-D407 PolarHBondContact O-N 3.14Å; V405-K408 PolarHBondContact O-N 3.34Å; V405-C409 WeakPolarHBondContact O-CB 3.26Å; V405-C409 PolarHBondContact O-N 3.41Å; V405-C409 PolarHBondContact O-SG 2.85Å; V405-F491 HydrophobicContact CG1-CD1 3.84Å; V405-P494 HydrophobicContact CG1-CB 4.34Å; V405-P494 HydrophobicContact CG1-CG 4.4Å; V405-P494 HydrophobicContact CG2-CB 3.73Å; V405-L495 HydrophobicContact CG2-CD2 3.81Å; V405-L495 HydrophobicContact CG2-CG 4.11Å
406	I	97.1	Very high	95.6	Very high	3 Å²	3	59 Å²	59	2%	0.015	32%	0.322	C	S	.	.	H	α-helix	trans	-58.7	-47.3	175.2	-72.9	165.7	0	0	0	111.2	W393 L398 I402 L403 C409 G410 Y411 I447 F491	W393-I406 HydrophobicContact CD2-CD1 4.45Å; W393-I406 HydrophobicContact CD2-CG2 3.83Å; W393-I406 HydrophobicContact CE3-CD1 4.07Å; W393-I406 HydrophobicContact CE3-CG2 4.49Å; W393-I406 HydrophobicContact CG-CG2 3.97Å; W393-I406 HydrophobicContact CH2-CD1 4.42Å; W393-I406 HydrophobicContact CZ2-CG2 4.04Å; W393-I406 HydrophobicContact CZ3-CD1 4.07Å; L398-I406 HydrophobicContact CD1-CD1 3.77Å; I402-I406 HydrophobicContact CG2-CD1 3.89Å; I402-I406 VanDerWaalsContact O-CG1 3.27Å; I402-I406 WeakPolarHBondContact O-CG1 3.47Å; I402-I406 PolarHBondContact O-N 2.83Å; L403-I406 PolarHBondContact O-N 2.81Å; I406-C409 PolarHBondContact O-N 3.39Å; I406-G410 PolarHBondContact O-N 3.04Å; I406-Y411 PolarHBondContact O-N 3.46Å; I406-Y411 VanDerWaalsContact O-N 3.15Å; I406-I447 HydrophobicContact CD1-CD1 3.74Å; I406-I447 HydrophobicContact CD1-CG1 4.26Å; I406-I447 HydrophobicContact CG1-CD1 4.1Å; I406-F491 HydrophobicContact CG1-CE1 3.97Å
407	D	96	Very high	95.6	Very high	109 Å²	109	58.2 Å²	58.2	58%	0.583	32%	0.317	S	S	*	.	H	α-helix	trans	-67.7	-46.1	178.5	-172.2	69.9	0	0	0	112.1	L403 V405 C409 G410	L403-D407 PolarHBondContact O-N 2.86Å; V405-D407 PolarHBondContact O-N 3.14Å; D407-C409 PolarHBondContact O-N 3.1Å; D407-G410 WeakPolarHBondContact O-CA 3.12Å; D407-G410 PolarHBondContact O-N 3.42Å
408	K	94.7	Very high	95.7	Very high	152 Å²	152	52.3 Å²	52.3	66%	0.661	28%	0.275	S	S	*	.	H	α-helix	trans	-60.2	-31.7	174.1	-77.8	175.7	171.1	175	0	112.9	E404 V405 G410	E404-K408 HydrophobicContact CG-CD 4.21Å; E404-K408 VanDerWaalsContact O-CB 3.31Å; E404-K408 WeakPolarHBondContact O-CB 3.45Å; E404-K408 VanDerWaalsContact O-CG 3.31Å; E404-K408 WeakPolarHBondContact O-CG 3.43Å; E404-K408 PolarHBondContact O-N 3.26Å; E404-K408 WeakPolarHBondContact OE1-CE 3.34Å; E404-K408 IonicContact OE1-NZ 3.82Å; E404-K408 PolarHBondContact OE1-NZ 3.47Å; V405-K408 PolarHBondContact O-N 3.34Å; K408-G410 PolarHBondContact O-N 2.99Å
409	C	93.6	Very high	95.7	Very high	14 Å²	14	51.9 Å²	51.9	10%	0.095	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-9	174	-73.4	0	0	0	0	113.4	V405 I406 D407 Y411 K490 F491	V405-C409 WeakPolarHBondContact O-CB 3.26Å; V405-C409 PolarHBondContact O-N 3.41Å; V405-C409 PolarHBondContact O-SG 2.85Å; I406-C409 PolarHBondContact O-N 3.39Å; D407-C409 PolarHBondContact O-N 3.1Å; C409-Y411 HydrophobicContact CB-CD2 3.62Å; C409-Y411 HydrophobicContact CB-CE2 3.79Å; C409-Y411 WeakPolarHBondContact O-CD2 3.43Å; C409-K490 VanDerWaalsContact O-CE 3.25Å; C409-K490 WeakPolarHBondContact O-CE 3.43Å; C409-K490 PolarHBondContact O-NZ 2.86Å; C409-F491 HydrophobicContact CB-CE1 4.26Å; C409-F491 HydrophobicContact CB-CZ 4.23Å
410	G	93.6	Very high	95.7	Very high	45 Å²	45	50.6 Å²	50.6	46%	0.464	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.5	7.8	175.3	0	0	0	0	0	115.7	I406 D407 K408 K412	I406-G410 PolarHBondContact O-N 3.04Å; D407-G410 WeakPolarHBondContact O-CA 3.12Å; D407-G410 PolarHBondContact O-N 3.42Å; K408-G410 PolarHBondContact O-N 2.99Å; G410-K412 VanDerWaalsContact C-N 3.34Å; G410-K412 PolarHBondContact O-N 3.22Å
411	Y	93.9	Very high	95.7	Very high	47 Å²	47	45.4 Å²	45.4	18%	0.184	23%	0.231	C	C	.	.			trans	-79.7	80.8	-178	-69.2	-109.2	0	0	0	109.4	W393 I406 C409 E413 A443 E487 F491	W393-Y411 PolarHBondContact NE1-O 2.9Å; I406-Y411 PolarHBondContact O-N 3.46Å; I406-Y411 VanDerWaalsContact O-N 3.15Å; C409-Y411 HydrophobicContact CB-CD2 3.62Å; C409-Y411 HydrophobicContact CB-CE2 3.79Å; C409-Y411 WeakPolarHBondContact O-CD2 3.43Å; Y411-E413 VanDerWaalsContact C-N 3.33Å; Y411-E413 PolarHBondContact O-N 2.77Å; Y411-A443 HydrophobicContact CE1-CB 4.17Å; Y411-E487 VanDerWaalsContact OH-CD 3.24Å; Y411-E487 WeakPolarHBondContact OH-CG 3.36Å; Y411-E487 PolarHBondContact OH-OE1 3.12Å; Y411-F491 HydrophobicContact CD1-CZ 4.49Å; Y411-F491 HydrophobicContact CD2-CE2 4.27Å; Y411-F491 AromaticContact CD2-CZ 3.73Å; Y411-F491 HydrophobicContact CD2-CZ 3.73Å; Y411-F491 HydrophobicContact CE1-CE2 4.34Å; Y411-F491 HydrophobicContact CE1-CZ 4.31Å; Y411-F491 AromaticContact CE2-CE2 3.6Å; Y411-F491 HydrophobicContact CE2-CE2 3.6Å; Y411-F491 AromaticContact CE2-CZ 3.55Å; Y411-F491 HydrophobicContact CE2-CZ 3.55Å; Y411-F491 HydrophobicContact CG-CZ 4.23Å; Y411-F491 AromaticContact CZ-CE2 3.65Å; Y411-F491 AromaticContact CZ-CZ 3.87Å
412	K	93.1	Very high	95.8	Very high	164 Å²	164	42.2 Å²	42.2	71%	0.713	22%	0.216	S	C	*	.			trans	-63.5	-33.7	-172	-65.4	-169.3	177.8	-59	0	114.7	G410	G410-K412 VanDerWaalsContact C-N 3.34Å; G410-K412 PolarHBondContact O-N 3.22Å
413	E	93.3	Very high	95.9	Very high	101 Å²	101	42.9 Å²	42.9	47%	0.472	22%	0.221	S	C	.	.	S	Bend	trans	-139.8	143.8	-179.1	-81.9	-66.1	145.2	0	0	109.2	Y411 R419	Y411-E413 VanDerWaalsContact C-N 3.33Å; Y411-E413 PolarHBondContact O-N 2.77Å; E413-R419 IonicContact OE2-CZ 2.73Å; E413-R419 IonicContact OE2-NH1 3.69Å; E413-R419 IonicContact OE2-NH2 3.05Å; E413-R419 PolarHBondContact OE2-NH2 3.09Å
414	P	97	Very high	95.9	Very high	5 Å²	5	40.8 Å²	40.8	3%	0.032	21%	0.21	C	C	.	.			trans	-68.7	143	173.9	22.6	-27.1	0	0	0	111.5	I390 W393 Q418 R419	I390-P414 HydrophobicContact CB-CG 4.48Å; I390-P414 HydrophobicContact CG2-CG 3.98Å; W393-P414 HydrophobicContact CD2-CB 4.23Å; W393-P414 HydrophobicContact CD2-CG 4.17Å; W393-P414 HydrophobicContact CE3-CB 4.32Å; W393-P414 HydrophobicContact CE3-CG 4.4Å; W393-P414 HydrophobicContact CH2-CB 3.7Å; W393-P414 HydrophobicContact CZ2-CB 3.57Å; W393-P414 HydrophobicContact CZ2-CG 4.36Å; W393-P414 HydrophobicContact CZ3-CB 4.07Å; P414-Q418 HydrophobicContact CB-CB 4.05Å; P414-R419 HydrophobicContact CB-CG 3.76Å; P414-R419 HydrophobicContact CG-CG 3.8Å; P414-R419 PolarHBondContact O-NE 3Å; P414-R419 PolarHBondContact O-NH2 3.15Å
415	T	94.8	Very high	95.9	Very high	40 Å²	40	35.9 Å²	35.9	25%	0.245	19%	0.187	C	C	.	.			trans	-77.6	161.7	172.3	72.6	0	0	0	0	111.2	I417 Q418 R419 S439	T415-I417 VanDerWaalsContact C-N 3.28Å; T415-I417 PolarHBondContact O-N 2.83Å; T415-I417 VanDerWaalsContact O-N 3.16Å; T415-Q418 WeakPolarHBondContact O-CA 3.29Å; T415-Q418 WeakPolarHBondContact O-CB 3.44Å; T415-Q418 PolarHBondContact O-N 2.95Å; T415-Q418 VanDerWaalsContact OG1-CD 3.22Å; T415-Q418 WeakPolarHBondContact OG1-CG 3.36Å; T415-Q418 PolarHBondContact OG1-NE2 3Å; T415-R419 VanDerWaalsContact O-CG 3.32Å; T415-R419 WeakPolarHBondContact O-CG 3.27Å; T415-R419 PolarHBondContact O-N 3.23Å; T415-S439 WeakPolarHBondContact CB-O 3.34Å; T415-S439 PolarHBondContact OG1-O 2.89Å
416	P	93.8	Very high	96	Very high	38 Å²	38	37 Å²	37	25%	0.247	19%	0.192	C	C	.	.	H	α-helix	trans	-52.9	-39.4	-176.9	-30.1	37.3	0	0	0	114.9	Y377 I379 R419 Q420 I629	Y377-P416 HydrophobicContact CD1-CG 4.04Å; I379-P416 HydrophobicContact CD1-CB 4.31Å; I379-P416 WeakPolarHBondContact CD1-O 3.34Å; I379-P416 HydrophobicContact CG1-CB 4.14Å; P416-R419 PolarHBondContact O-N 3.48Å; P416-Q420 PolarHBondContact O-N 3.43Å; P416-I629 HydrophobicContact CB-CD1 3.97Å; P416-I629 HydrophobicContact CB-CG2 3.77Å; P416-I629 HydrophobicContact CG-CG2 4.47Å
417	I	94.6	Very high	96	Very high	1 Å²	1	38 Å²	38	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-66.8	-43.8	175.5	-167.5	61.8	0	0	0	111.6	T415 R419 Q420 A421 S439 A444 F605 V627 I629	T415-I417 VanDerWaalsContact C-N 3.28Å; T415-I417 PolarHBondContact O-N 2.83Å; T415-I417 VanDerWaalsContact O-N 3.16Å; I417-R419 VanDerWaalsContact C-N 3.34Å; I417-R419 PolarHBondContact O-N 3.24Å; I417-Q420 PolarHBondContact O-N 3.06Å; I417-A421 HydrophobicContact CD1-CB 4.4Å; I417-A421 HydrophobicContact CG1-CB 4.47Å; I417-A421 WeakPolarHBondContact O-CB 3.45Å; I417-A421 PolarHBondContact O-N 2.64Å; I417-S439 VanDerWaalsContact CG2-O 3.28Å; I417-S439 WeakPolarHBondContact CG2-O 3.34Å; I417-A444 HydrophobicContact CG1-CB 4.4Å; I417-A444 HydrophobicContact CG2-CB 4.24Å; I417-F605 HydrophobicContact CD1-CE1 4.03Å; I417-F605 HydrophobicContact CG1-CE1 3.77Å; I417-V627 HydrophobicContact CD1-CB 4.15Å; I417-V627 HydrophobicContact CD1-CG1 3.81Å; I417-I629 HydrophobicContact CB-CD1 4.42Å; I417-I629 HydrophobicContact CB-CG1 3.95Å; I417-I629 HydrophobicContact CD1-CD1 4.31Å; I417-I629 HydrophobicContact CD1-CG1 3.8Å; I417-I629 HydrophobicContact CG1-CG1 4.43Å
418	Q	97.5	Very high	96.1	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-61	-43.4	176.9	-66.4	164.3	5.9	0	0	111.3	W393 P414 T415 Q420 I422 G440 A444	W393-Q418 HydrophobicContact CH2-CB 4.43Å; P414-Q418 HydrophobicContact CB-CB 4.05Å; T415-Q418 WeakPolarHBondContact O-CA 3.29Å; T415-Q418 WeakPolarHBondContact O-CB 3.44Å; T415-Q418 PolarHBondContact O-N 2.95Å; T415-Q418 VanDerWaalsContact OG1-CD 3.22Å; T415-Q418 WeakPolarHBondContact OG1-CG 3.36Å; T415-Q418 PolarHBondContact OG1-NE2 3Å; Q418-Q420 VanDerWaalsContact C-N 3.3Å; Q418-Q420 PolarHBondContact O-N 2.91Å; Q418-I422 HydrophobicContact CB-CD1 3.79Å; Q418-I422 HydrophobicContact CB-CG1 4.49Å; Q418-I422 HydrophobicContact CG-CD1 4.35Å; Q418-I422 VanDerWaalsContact O-CB 3.32Å; Q418-I422 WeakPolarHBondContact O-CB 3.44Å; Q418-I422 WeakPolarHBondContact O-CD1 3.33Å; Q418-I422 VanDerWaalsContact O-CG1 3.25Å; Q418-I422 WeakPolarHBondContact O-CG1 3.36Å; Q418-I422 PolarHBondContact O-N 3.33Å; Q418-G440 WeakPolarHBondContact CG-O 3.45Å; Q418-G440 PolarHBondContact NE2-O 2.83Å; Q418-A444 HydrophobicContact CB-CB 4.31Å; Q418-A444 HydrophobicContact CG-CB 3.73Å
419	R	97.6	Very high	96.2	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.015	14%	0.138	C	C	.	.	H	α-helix	trans	-54.2	-44.6	-179.1	-70.5	176.9	-175.3	-88.6	-3.7	112.2	Y377 I379 P389 I390 R391 E413 P414 T415 P416 I417 P423	Y377-R419 VanDerWaalsContact OH-CZ 3.31Å; Y377-R419 PolarHBondContact OH-NH2 2.95Å; I379-R419 HydrophobicContact CD1-CB 4.35Å; P389-R419 CarbonylContact C-O 3.56Å; P389-R419 WeakPolarHBondContact CA-O 3.28Å; P389-R419 HydrophobicContact CB-CB 4.2Å; P389-R419 WeakPolarHBondContact CB-O 3.46Å; I390-R419 PolarHBondContact N-O 3.03Å; I390-R419 VanDerWaalsContact O-CG 3.29Å; I390-R419 WeakPolarHBondContact O-CG 3.5Å; I390-R419 PolarHBondContact O-NH1 3.35Å; R391-R419 VanDerWaalsContact C-NH1 3.27Å; R391-R419 PolarHBondContact O-NH1 3.19Å; E413-R419 IonicContact OE2-CZ 2.73Å; E413-R419 IonicContact OE2-NH1 3.69Å; E413-R419 IonicContact OE2-NH2 3.05Å; E413-R419 PolarHBondContact OE2-NH2 3.09Å; P414-R419 HydrophobicContact CB-CG 3.76Å; P414-R419 HydrophobicContact CG-CG 3.8Å; P414-R419 PolarHBondContact O-NE 3Å; P414-R419 PolarHBondContact O-NH2 3.15Å; T415-R419 VanDerWaalsContact O-CG 3.32Å; T415-R419 WeakPolarHBondContact O-CG 3.27Å; T415-R419 PolarHBondContact O-N 3.23Å; P416-R419 PolarHBondContact O-N 3.48Å; I417-R419 VanDerWaalsContact C-N 3.34Å; I417-R419 PolarHBondContact O-N 3.24Å; R419-P423 VanDerWaalsContact O-CD 3.32Å; R419-P423 WeakPolarHBondContact O-CD 3.12Å
420	Q	96.5	Very high	96.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-99.8	-31	-174.9	-174.8	60.7	91.8	0	0	114.2	I379 T381 P387 P389 P416 I417 Q418 I424 V627	I379-Q420 HydrophobicContact CD1-CB 4.21Å; I379-Q420 HydrophobicContact CG2-CB 3.84Å; I379-Q420 HydrophobicContact CG2-CG 3.9Å; T381-Q420 HydrophobicContact CG2-CG 3.63Å; P387-Q420 PolarHBondContact O-NE2 3.21Å; P389-Q420 HydrophobicContact CB-CB 4.29Å; P416-Q420 PolarHBondContact O-N 3.43Å; I417-Q420 PolarHBondContact O-N 3.06Å; Q418-Q420 VanDerWaalsContact C-N 3.3Å; Q418-Q420 PolarHBondContact O-N 2.91Å; Q420-I424 HydrophobicContact CG-CD1 4.35Å; Q420-I424 VanDerWaalsContact O-CD1 3.27Å; Q420-I424 WeakPolarHBondContact O-CD1 3.31Å; Q420-I424 WeakPolarHBondContact O-CG1 3.46Å; Q420-V627 HydrophobicContact CB-CG1 3.91Å; Q420-V627 HydrophobicContact CG-CG1 3.9Å; Q420-V627 HydrophobicContact CG-CG2 4.05Å
421	A	97.8	Very high	96.6	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-77.7	-35.8	-179.1	0	0	0	0	0	113.3	I417 I424 G425 I431 A444	I417-A421 HydrophobicContact CD1-CB 4.4Å; I417-A421 HydrophobicContact CG1-CB 4.47Å; I417-A421 WeakPolarHBondContact O-CB 3.45Å; I417-A421 PolarHBondContact O-N 2.64Å; A421-I424 PolarHBondContact O-N 3.47Å; A421-I424 VanDerWaalsContact O-N 3.16Å; A421-G425 PolarHBondContact O-N 3.41Å; A421-I431 HydrophobicContact CB-CD1 4.25Å; A421-I431 WeakPolarHBondContact O-CD1 3.45Å; A421-A444 HydrophobicContact CB-CB 4.34Å
422	I	98.4	Very high	96.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-60.7	-48.6	-178.7	-65.3	169.9	0	0	0	111.4	I390 W393 L398 Q418 I424 G425 L426 A444 I447 P448	I390-I422 HydrophobicContact CD1-CB 3.99Å; I390-I422 HydrophobicContact CD1-CD1 4.49Å; I390-I422 HydrophobicContact CD1-CG2 3.88Å; W393-I422 HydrophobicContact CH2-CD1 3.82Å; W393-I422 HydrophobicContact CZ3-CD1 3.81Å; L398-I422 HydrophobicContact CD2-CG2 4.31Å; Q418-I422 HydrophobicContact CB-CD1 3.79Å; Q418-I422 HydrophobicContact CB-CG1 4.49Å; Q418-I422 HydrophobicContact CG-CD1 4.35Å; Q418-I422 VanDerWaalsContact O-CB 3.32Å; Q418-I422 WeakPolarHBondContact O-CB 3.44Å; Q418-I422 WeakPolarHBondContact O-CD1 3.33Å; Q418-I422 VanDerWaalsContact O-CG1 3.25Å; Q418-I422 WeakPolarHBondContact O-CG1 3.36Å; Q418-I422 PolarHBondContact O-N 3.33Å; I422-I424 PolarHBondContact O-N 2.67Å; I422-G425 PolarHBondContact O-N 3.34Å; I422-L426 HydrophobicContact CG2-CD1 3.89Å; I422-L426 HydrophobicContact CG2-CG 4.31Å; I422-L426 VanDerWaalsContact O-CG 3.31Å; I422-L426 WeakPolarHBondContact O-CG 3.45Å; I422-L426 PolarHBondContact O-N 2.95Å; I422-A444 WeakPolarHBondContact CG1-O 3.39Å; I422-I447 HydrophobicContact CD1-CB 4.03Å; I422-I447 HydrophobicContact CD1-CD1 3.7Å; I422-I447 HydrophobicContact CD1-CG1 4.44Å; I422-I447 HydrophobicContact CD1-CG2 4.15Å; I422-I447 HydrophobicContact CG1-CB 4.34Å; I422-I447 HydrophobicContact CG2-CG2 3.86Å; I422-P448 HydrophobicContact CB-CG 4.47Å; I422-P448 HydrophobicContact CG2-CG 4.2Å
423	P	98.1	Very high	96.7	Very high	19 Å²	19	13.5 Å²	13.5	12%	0.123	7%	0.072	C	C	.	.	H	α-helix	trans	-59.3	-30.6	175.4	-27.2	37	0	0	0	114.7	P387 N388 I390 R419	P387-P423 HydrophobicContact CB-CB 3.93Å; P387-P423 HydrophobicContact CG-CB 3.89Å; N388-P423 WeakPolarHBondContact O-CG 3.39Å; I390-P423 HydrophobicContact CD1-CG 4.25Å; I390-P423 HydrophobicContact CG1-CG 3.78Å; R419-P423 VanDerWaalsContact O-CD 3.32Å; R419-P423 WeakPolarHBondContact O-CD 3.12Å
424	I	97.9	Very high	96.3	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-74.3	-44.1	176.8	-60	166	0	0	0	110.1	I386 P387 Q420 A421 I422 L426 Q427 R429 I431 A625 V627	I386-I424 HydrophobicContact CG2-CD1 4.32Å; P387-I424 HydrophobicContact CG-CB 4.43Å; P387-I424 HydrophobicContact CG-CG1 3.66Å; Q420-I424 HydrophobicContact CG-CD1 4.35Å; Q420-I424 VanDerWaalsContact O-CD1 3.27Å; Q420-I424 WeakPolarHBondContact O-CD1 3.31Å; Q420-I424 WeakPolarHBondContact O-CG1 3.46Å; A421-I424 PolarHBondContact O-N 3.47Å; A421-I424 VanDerWaalsContact O-N 3.16Å; I422-I424 PolarHBondContact O-N 2.67Å; I424-L426 VanDerWaalsContact C-N 3.28Å; I424-L426 PolarHBondContact O-N 3.34Å; I424-Q427 WeakPolarHBondContact O-CA 3.44Å; I424-Q427 WeakPolarHBondContact O-CB 3.46Å; I424-Q427 PolarHBondContact O-N 3.18Å; I424-R429 HydrophobicContact CG2-CB 3.66Å; I424-R429 PolarHBondContact O-N 3.31Å; I424-I431 HydrophobicContact CB-CD1 3.91Å; I424-I431 HydrophobicContact CB-CG1 4.15Å; I424-I431 HydrophobicContact CG2-CD1 3.86Å; I424-I431 HydrophobicContact CG2-CG1 3.59Å; I424-A625 HydrophobicContact CD1-CB 3.98Å; I424-A625 HydrophobicContact CG2-CB 3.96Å; I424-V627 HydrophobicContact CD1-CG2 3.57Å
425	G	97.9	Very high	95.6	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-65.7	-30.1	178.6	0	0	0	0	0	113.4	A421 I422 Q427 N428 F592 Q601	A421-G425 PolarHBondContact O-N 3.41Å; I422-G425 PolarHBondContact O-N 3.34Å; G425-Q427 PolarHBondContact O-N 2.75Å; G425-N428 PolarHBondContact O-N 3.01Å; G425-N428 VanDerWaalsContact O-N 3.13Å; G425-F592 WeakPolarHBondContact O-CE2 3.47Å; G425-Q601 PolarHBondContact O-NE2 3.08Å
426	L	98.1	Very high	94.5	Very high	33 Å²	33	9.9 Å²	9.9	17%	0.173	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-13	171.3	-68.4	171.5	0	0	0	113.4	L398 I422 I424 P448 V451 L589 F592	L398-L426 HydrophobicContact CD2-CD1 3.95Å; I422-L426 HydrophobicContact CG2-CD1 3.89Å; I422-L426 HydrophobicContact CG2-CG 4.31Å; I422-L426 VanDerWaalsContact O-CG 3.31Å; I422-L426 WeakPolarHBondContact O-CG 3.45Å; I422-L426 PolarHBondContact O-N 2.95Å; I424-L426 VanDerWaalsContact C-N 3.28Å; I424-L426 PolarHBondContact O-N 3.34Å; L426-P448 HydrophobicContact CD2-CB 4.24Å; L426-P448 HydrophobicContact CG-CB 4.42Å; L426-P448 HydrophobicContact CG-CG 4.48Å; L426-V451 HydrophobicContact CD2-CB 3.99Å; L426-V451 HydrophobicContact CD2-CG1 3.83Å; L426-V451 HydrophobicContact CD2-CG2 4.08Å; L426-L589 WeakPolarHBondContact O-CD1 3.44Å; L426-F592 HydrophobicContact CD2-CE1 3.99Å; L426-F592 HydrophobicContact CD2-CZ 3.81Å; L426-F592 WeakPolarHBondContact O-CB 3.33Å; L426-F592 VanDerWaalsContact O-CD1 3.26Å; L426-F592 WeakPolarHBondContact O-CD1 3.41Å; L426-F592 WeakPolarHBondContact O-CG 3.23Å
427	Q	97.3	Very high	93.4	Very high	25 Å²	25	10.3 Å²	10.3	12%	0.117	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	17.1	168.2	-64.5	178.9	-18.5	0	0	111.8	I424 G425 R429 M588	I424-Q427 WeakPolarHBondContact O-CA 3.44Å; I424-Q427 WeakPolarHBondContact O-CB 3.46Å; I424-Q427 PolarHBondContact O-N 3.18Å; G425-Q427 PolarHBondContact O-N 2.75Å; Q427-R429 HydrophobicContact CB-CG 4.09Å; Q427-R429 PolarHBondContact O-N 3.08Å; Q427-M588 CarbonylContact C-O 3.5Å; Q427-M588 CarbonylContact O-C 3.49Å; Q427-M588 VanDerWaalsContact O-C 3.26Å; Q427-M588 WeakPolarHBondContact O-CB 3.31Å; Q427-M588 VanDerWaalsContact O-O 3.06Å
428	N	98.1	Very high	92.3	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	-9.4	-170.3	-166.4	-60.2	0	0	0	115	G425 K576 M588 N591 F592 K598 Y599 Q601	G425-N428 PolarHBondContact O-N 3.01Å; G425-N428 VanDerWaalsContact O-N 3.13Å; N428-K576 VanDerWaalsContact O-CE 3.27Å; N428-K576 WeakPolarHBondContact O-CE 3.15Å; N428-K576 PolarHBondContact O-NZ 2.92Å; N428-K576 WeakPolarHBondContact OD1-CE 3.05Å; N428-K576 PolarHBondContact OD1-NZ 3Å; N428-M588 HydrophobicContact CB-CE 3.84Å; N428-N591 PolarHBondContact ND2-OD1 3.04Å; N428-N591 VanDerWaalsContact ND2-OD1 3.13Å; N428-F592 HydrophobicContact CB-CB 4.05Å; N428-F592 HydrophobicContact CB-CD2 4.2Å; N428-K598 WeakPolarHBondContact ND2-CD 3.38Å; N428-Y599 PolarHBondContact ND2-O 3.15Å; N428-Y599 PolarHBondContact OD1-O 3.11Å; N428-Q601 WeakPolarHBondContact O-CB 3.44Å
429	R	97.6	Very high	91.5	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	11%	0.105	C	C	.	.			trans	-62.3	143.7	-171.5	-71.9	171.1	66.8	-179.2	8	112.2	G384 K385 I424 Q427 E583 M588	G384-R429 PolarHBondContact O-NH1 3.48Å; G384-R429 PolarHBondContact O-NH2 3.28Å; K385-R429 PolarHBondContact O-NH1 3.21Å; I424-R429 HydrophobicContact CG2-CB 3.66Å; I424-R429 PolarHBondContact O-N 3.31Å; Q427-R429 HydrophobicContact CB-CG 4.09Å; Q427-R429 PolarHBondContact O-N 3.08Å; R429-E583 IonicContact NH2-OE2 2.84Å; R429-M588 HydrophobicContact CG-CB 4.04Å; R429-M588 HydrophobicContact CG-CG 4.33Å
430	D	98.4	Very high	91	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	11%	0.111	C	C	.	.			trans	-72.4	150.9	177.9	-76.8	6.4	0	0	0	110.9	K576 Q601 T602 L621 R622 P624 A625	D430-K576 IonicContact OD1-NZ 2.94Å; D430-K576 PolarHBondContact OD1-NZ 2.86Å; D430-Q601 WeakPolarHBondContact OD1-CA 3.4Å; D430-T602 VanDerWaalsContact CA-O 3.28Å; D430-T602 WeakPolarHBondContact CA-O 3.18Å; D430-T602 WeakPolarHBondContact CB-O 3.47Å; D430-T602 PolarHBondContact OD1-N 3.27Å; D430-L621 HydrophobicContact CB-CB 4.34Å; D430-L621 HydrophobicContact CB-CD2 3.84Å; D430-L621 VanDerWaalsContact OD2-CA 3.26Å; D430-L621 WeakPolarHBondContact OD2-CA 3.26Å; D430-R622 PolarHBondContact OD2-N 3.49Å; D430-P624 HydrophobicContact CB-CB 3.98Å; D430-P624 CarbonylContact O-C 3.58Å; D430-P624 VanDerWaalsContact O-CA 3.29Å; D430-P624 WeakPolarHBondContact O-CA 3.24Å; D430-A625 PolarHBondContact O-N 2.76Å
431	I	97.8	Very high	90.9	Very high	4 Å²	4	16.1 Å²	16.1	2%	0.021	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	136.8	-170.1	-64.2	170	0	0	0	111.4	A421 I424 T602 V603 M604 A625	A421-I431 HydrophobicContact CB-CD1 4.25Å; A421-I431 WeakPolarHBondContact O-CD1 3.45Å; I424-I431 HydrophobicContact CB-CD1 3.91Å; I424-I431 HydrophobicContact CB-CG1 4.15Å; I424-I431 HydrophobicContact CG2-CD1 3.86Å; I424-I431 HydrophobicContact CG2-CG1 3.59Å; I431-T602 PolarHBondContact N-O 3.33Å; I431-V603 HydrophobicContact CB-CG1 4.01Å; I431-V603 HydrophobicContact CB-CG2 4.28Å; I431-V603 HydrophobicContact CG2-CG1 4.16Å; I431-V603 WeakPolarHBondContact O-CA 3.47Å; I431-M604 PolarHBondContact O-N 2.82Å; I431-A625 CarbonylContact C-O 3.56Å; I431-A625 WeakPolarHBondContact CA-O 3.44Å
432	I	94.7	Very high	90.7	Very high	12 Å²	12	16.9 Å²	16.9	6%	0.062	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	104.3	158.9	-58.4	175.2	0	0	0	108.1	V434 M604 T606 M609 A617 L621 P624 A625 V626 V627	I432-V434 HydrophobicContact CG2-CG2 4.09Å; I432-M604 CarbonylContact C-O 3.58Å; I432-M604 WeakPolarHBondContact CA-O 3.35Å; I432-T606 HydrophobicContact CG2-CG2 4.49Å; I432-M609 HydrophobicContact CD1-CE 4.5Å; I432-M609 HydrophobicContact CG2-SD 4.03Å; I432-A617 HydrophobicContact CD1-CB 4.17Å; I432-L621 HydrophobicContact CD1-CD1 3.78Å; I432-L621 HydrophobicContact CG1-CD1 3.49Å; I432-L621 VanDerWaalsContact CG1-CD1 3.49Å; I432-P624 HydrophobicContact CD1-CB 4.41Å; I432-P624 HydrophobicContact CD1-CG 3.98Å; I432-P624 HydrophobicContact CG1-CB 4.1Å; I432-P624 HydrophobicContact CG1-CG 4.22Å; I432-A625 PolarHBondContact N-O 3.29Å; I432-V626 HydrophobicContact CB-CG1 4.34Å; I432-V626 HydrophobicContact CB-CG2 4.31Å; I432-V626 HydrophobicContact CD1-CG2 4.47Å; I432-V626 HydrophobicContact CG2-CG1 4.43Å; I432-V626 CarbonylContact O-C 3.57Å; I432-V626 WeakPolarHBondContact O-CA 3.37Å; I432-V627 PolarHBondContact O-N 3.05Å
433	G	92.7	Very high	90.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	107	176.6	0	0	0	0	0	111.3	A435 M604 F605 T606 V627	G433-A435 PolarHBondContact O-N 2.99Å; G433-M604 PolarHBondContact N-O 2.99Å; G433-F605 VanDerWaalsContact O-CA 3.31Å; G433-F605 WeakPolarHBondContact O-CA 3.34Å; G433-F605 WeakPolarHBondContact O-CD1 3.06Å; G433-T606 PolarHBondContact O-N 3.28Å; G433-V627 CarbonylContact C-O 3.6Å; G433-V627 WeakPolarHBondContact CA-O 3.28Å
434	V	85.3	Confident	90.6	Very high	13 Å²	13	16.1 Å²	16.1	8%	0.079	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	99.5	176.9	-172.8	0	0	0	0	109.1	I432 T606 V626 V627 Y628 I629	I432-V434 HydrophobicContact CG2-CG2 4.09Å; V434-T606 WeakPolarHBondContact CA-O 3.48Å; V434-T606 HydrophobicContact CG2-CG2 4.2Å; V434-V626 HydrophobicContact CG2-CG1 4.3Å; V434-V627 PolarHBondContact N-O 2.8Å; V434-Y628 HydrophobicContact CB-CD2 3.66Å; V434-Y628 HydrophobicContact CB-CE2 4.4Å; V434-Y628 HydrophobicContact CB-CG 4.44Å; V434-Y628 HydrophobicContact CG1-CD2 3.54Å; V434-Y628 HydrophobicContact CG1-CE2 3.78Å; V434-Y628 HydrophobicContact CG2-CD2 4.37Å; V434-I629 PolarHBondContact O-N 2.85Å
435	A	83.3	Confident	90.6	Very high	7 Å²	7	16.2 Å²	16.2	6%	0.058	11%	0.113	C	C	.	.			trans	-162.1	144.5	-176.4	0	0	0	0	0	112.7	G433 S439 T606 I629	G433-A435 PolarHBondContact O-N 2.99Å; A435-S439 WeakPolarHBondContact CB-OG 2.99Å; A435-T606 PolarHBondContact N-O 3.07Å; A435-I629 HydrophobicContact CB-CB 4.13Å; A435-I629 HydrophobicContact CB-CG1 4.21Å
436	E	71.5	Confident	90.6	Very high	50 Å²	50	16.2 Å²	16.2	23%	0.234	11%	0.113	C	C	.	.			trans	-58.9	156.4	174.6	-67.1	-176.6	-162.2	0	0	113.1	S439 R757	E436-S439 VanDerWaalsContact O-CB 3.28Å; E436-S439 WeakPolarHBondContact O-CB 3.44Å; E436-S439 PolarHBondContact O-N 3.19Å; E436-S439 PolarHBondContact O-OG 3.32Å; E436-R757 IonicContact OE1-NH2 2.74Å; E436-R757 IonicContact OE2-CZ 3.89Å; E436-R757 IonicContact OE2-NH1 2.76Å; E436-R757 PolarHBondContact OE2-NH1 2.83Å; E436-R757 IonicContact OE2-NH2 2.63Å; E436-R757 PolarHBondContact OE2-NH2 2.8Å
437	T	70.9	Confident	90.6	Very high	47 Å²	47	14.7 Å²	14.7	29%	0.288	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	146.2	162.7	7.1	0	0	0	0	111.2	S439 L480 E550	T437-S439 VanDerWaalsContact C-N 3.29Å; T437-S439 PolarHBondContact O-N 3.27Å; T437-L480 HydrophobicContact CG2-CD1 3.83Å; T437-E550 WeakPolarHBondContact CB-OE1 3.41Å; T437-E550 WeakPolarHBondContact CG2-OE1 3.33Å; T437-E550 PolarHBondContact OG1-OE1 3.41Å
438	G	71.8	Confident	90.6	Very high	82 Å²	82	13.5 Å²	13.5	85%	0.845	10%	0.099	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.4	-10.2	-172.1	0	0	0	0	0	115.2	G440	G438-G440 PolarHBondContact O-N 3.2Å; G438-G440 VanDerWaalsContact O-N 3.13Å
439	S	79.7	Confident	90.6	Very high	28 Å²	28	13.5 Å²	13.5	20%	0.196	10%	0.099	C	C	.	.	S	Bend	trans	-70.9	-0.2	174.7	63.4	0	0	0	0	114.9	T415 I417 A435 E436 T437 K441	T415-S439 WeakPolarHBondContact CB-O 3.34Å; T415-S439 PolarHBondContact OG1-O 2.89Å; I417-S439 VanDerWaalsContact CG2-O 3.28Å; I417-S439 WeakPolarHBondContact CG2-O 3.34Å; A435-S439 WeakPolarHBondContact CB-OG 2.99Å; E436-S439 VanDerWaalsContact O-CB 3.28Å; E436-S439 WeakPolarHBondContact O-CB 3.44Å; E436-S439 PolarHBondContact O-N 3.19Å; E436-S439 PolarHBondContact O-OG 3.32Å; T437-S439 VanDerWaalsContact C-N 3.29Å; T437-S439 PolarHBondContact O-N 3.27Å; S439-K441 WeakPolarHBondContact OG-CG 3.27Å
440	G	88.1	Confident	90.6	Very high	13 Å²	13	13.6 Å²	13.6	13%	0.134	10%	0.099	C	C	.	.	S	Bend	trans	87.4	22.4	-177.9	0	0	0	0	0	114.9	Q418 G438 T442 A444	Q418-G440 WeakPolarHBondContact CG-O 3.45Å; Q418-G440 PolarHBondContact NE2-O 2.83Å; G438-G440 PolarHBondContact O-N 3.2Å; G438-G440 VanDerWaalsContact O-N 3.13Å; G440-T442 VanDerWaalsContact C-N 3.3Å; G440-T442 PolarHBondContact O-N 2.8Å; G440-A444 PolarHBondContact O-N 2.96Å
441	K	92.9	Very high	90.6	Very high	6 Å²	6	14 Å²	14	3%	0.026	10%	0.102	C	C	.	.	H	α-helix	trans	-48.5	-46.5	178.4	-65	-171.2	-79.2	177.5	0	113.2	S439 A443 A444 F445 D549 F605	S439-K441 WeakPolarHBondContact OG-CG 3.27Å; K441-A443 PolarHBondContact O-N 3.11Å; K441-A444 WeakPolarHBondContact O-CA 3.29Å; K441-A444 VanDerWaalsContact O-CB 3.22Å; K441-A444 WeakPolarHBondContact O-CB 3.42Å; K441-A444 PolarHBondContact O-N 3.48Å; K441-F445 WeakPolarHBondContact O-CD1 3.17Å; K441-F445 PolarHBondContact O-N 3.06Å; K441-D549 WeakPolarHBondContact CE-OD1 3.45Å; K441-D549 IonicContact NZ-OD1 3.08Å; K441-D549 PolarHBondContact NZ-OD1 2.82Å; K441-D549 IonicContact NZ-OD2 3.91Å; K441-F605 HydrophobicContact CB-CD1 4.17Å; K441-F605 HydrophobicContact CB-CE1 4.2Å; K441-F605 HydrophobicContact CB-CG 4.43Å; K441-F605 HydrophobicContact CB-CZ 4.47Å; K441-F605 HydrophobicContact CD-CB 3.77Å; K441-F605 HydrophobicContact CD-CD1 3.52Å; K441-F605 HydrophobicContact CD-CE1 4.3Å; K441-F605 HydrophobicContact CD-CG 3.76Å; K441-F605 HydrophobicContact CG-CD1 3.78Å; K441-F605 HydrophobicContact CG-CE1 4.05Å; K441-F605 HydrophobicContact CG-CG 4.32Å
442	T	95.1	Very high	90.5	Very high	16 Å²	16	14 Å²	14	10%	0.098	10%	0.102	C	C	.	.	H	α-helix	trans	-53.9	-59.5	-174.8	-19.3	0	0	0	0	112.4	G440 A444 F445 L446 I484 E487	G440-T442 VanDerWaalsContact C-N 3.3Å; G440-T442 PolarHBondContact O-N 2.8Å; T442-A444 PolarHBondContact O-N 2.7Å; T442-F445 VanDerWaalsContact CA-CE1 3.46Å; T442-F445 HydrophobicContact CG2-CE1 4.33Å; T442-F445 HydrophobicContact CG2-CE2 4.25Å; T442-F445 HydrophobicContact CG2-CZ 3.76Å; T442-F445 WeakPolarHBondContact O-CG 3.35Å; T442-F445 PolarHBondContact O-N 2.75Å; T442-L446 HydrophobicContact CG2-CD1 3.97Å; T442-L446 HydrophobicContact CG2-CG 4.46Å; T442-L446 WeakPolarHBondContact O-CB 2.99Å; T442-L446 VanDerWaalsContact O-CG 3.3Å; T442-L446 WeakPolarHBondContact O-CG 3.46Å; T442-L446 PolarHBondContact O-N 2.96Å; T442-I484 HydrophobicContact CG2-CB 4.33Å; T442-I484 HydrophobicContact CG2-CG1 4.15Å; T442-I484 HydrophobicContact CG2-CG2 3.99Å; T442-E487 WeakPolarHBondContact CB-OE2 3.35Å; T442-E487 HydrophobicContact CG2-CB 4.25Å; T442-E487 HydrophobicContact CG2-CG 4.27Å; T442-E487 PolarHBondContact OG1-OE2 3.16Å
443	A	96.4	Very high	90.6	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-62.2	-25.6	177.6	0	0	0	0	0	113	Y411 K441 F445 I447 F491	Y411-A443 HydrophobicContact CE1-CB 4.17Å; K441-A443 PolarHBondContact O-N 3.11Å; A443-F445 PolarHBondContact O-N 3.1Å; A443-I447 HydrophobicContact CB-CD1 4.2Å; A443-I447 WeakPolarHBondContact O-CB 3.34Å; A443-I447 WeakPolarHBondContact O-CD1 3.12Å; A443-I447 VanDerWaalsContact O-CG1 3.22Å; A443-I447 WeakPolarHBondContact O-CG1 3.25Å; A443-I447 PolarHBondContact O-N 3.36Å; A443-F491 HydrophobicContact CB-CE2 4.06Å; A443-F491 HydrophobicContact CB-CZ 4.1Å
444	A	97.4	Very high	90.7	Very high	3 Å²	3	14.6 Å²	14.6	3%	0.025	11%	0.105	C	C	.	.	H	α-helix	trans	-67.1	-34	177.8	0	0	0	0	0	113.3	I417 Q418 A421 I422 G440 K441 T442 P448	I417-A444 HydrophobicContact CG1-CB 4.4Å; I417-A444 HydrophobicContact CG2-CB 4.24Å; Q418-A444 HydrophobicContact CB-CB 4.31Å; Q418-A444 HydrophobicContact CG-CB 3.73Å; A421-A444 HydrophobicContact CB-CB 4.34Å; I422-A444 WeakPolarHBondContact CG1-O 3.39Å; G440-A444 PolarHBondContact O-N 2.96Å; K441-A444 WeakPolarHBondContact O-CA 3.29Å; K441-A444 VanDerWaalsContact O-CB 3.22Å; K441-A444 WeakPolarHBondContact O-CB 3.42Å; K441-A444 PolarHBondContact O-N 3.48Å; T442-A444 PolarHBondContact O-N 2.7Å; A444-P448 WeakPolarHBondContact O-CD 3.39Å
445	F	97.1	Very high	91.1	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.009	13%	0.125	C	C	.	.	H	α-helix	trans	-93.2	-31.7	173.1	63.3	-107.2	0	0	0	113.3	K441 T442 A443 I473 I484 Y545 V547 F605	K441-F445 WeakPolarHBondContact O-CD1 3.17Å; K441-F445 PolarHBondContact O-N 3.06Å; T442-F445 VanDerWaalsContact CA-CE1 3.46Å; T442-F445 HydrophobicContact CG2-CE1 4.33Å; T442-F445 HydrophobicContact CG2-CE2 4.25Å; T442-F445 HydrophobicContact CG2-CZ 3.76Å; T442-F445 WeakPolarHBondContact O-CG 3.35Å; T442-F445 PolarHBondContact O-N 2.75Å; A443-F445 PolarHBondContact O-N 3.1Å; F445-I473 HydrophobicContact CD2-CD1 4.46Å; F445-I473 HydrophobicContact CD2-CG1 4.43Å; F445-I473 HydrophobicContact CE2-CD1 3.66Å; F445-I473 HydrophobicContact CE2-CG1 3.77Å; F445-I473 HydrophobicContact CE2-CG2 4.02Å; F445-I473 HydrophobicContact CZ-CD1 4.5Å; F445-I473 HydrophobicContact CZ-CG1 4.47Å; F445-I473 HydrophobicContact CZ-CG2 3.86Å; F445-I484 HydrophobicContact CZ-CG2 4.36Å; F445-Y545 HydrophobicContact CB-CE1 4.42Å; F445-Y545 PolarHBondContact O-OH 1.95Å; F445-Y545 VanDerWaalsContact O-OH 3.05Å; F445-V547 HydrophobicContact CB-CG2 4.3Å; F445-V547 HydrophobicContact CD1-CG1 4.02Å; F445-V547 HydrophobicContact CD2-CG1 4.34Å; F445-V547 HydrophobicContact CD2-CG2 3.85Å; F445-V547 HydrophobicContact CE1-CG1 3.96Å; F445-V547 HydrophobicContact CE2-CG1 4.36Å; F445-V547 HydrophobicContact CE2-CG2 4.3Å; F445-V547 HydrophobicContact CG-CG1 4.17Å; F445-V547 HydrophobicContact CG-CG2 4.1Å; F445-V547 HydrophobicContact CZ-CG1 4.15Å; F445-F605 HydrophobicContact CB-CE2 4.07Å; F445-F605 HydrophobicContact CD1-CD2 4Å; F445-F605 AromaticContact CD1-CE2 3.38Å; F445-F605 HydrophobicContact CD1-CE2 3.38Å; F445-F605 HydrophobicContact CD1-CZ 4.14Å; F445-F605 HydrophobicContact CE1-CD2 4.39Å; F445-F605 HydrophobicContact CE1-CE2 4.19Å; F445-F605 HydrophobicContact CG-CE2 4.16Å
446	L	97.9	Very high	91.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-65.4	-43.5	176.6	-71.6	177.4	0	0	0	112.2	T442 L449 L450 I473 T488 F491 I521	T442-L446 HydrophobicContact CG2-CD1 3.97Å; T442-L446 HydrophobicContact CG2-CG 4.46Å; T442-L446 WeakPolarHBondContact O-CB 2.99Å; T442-L446 VanDerWaalsContact O-CG 3.3Å; T442-L446 WeakPolarHBondContact O-CG 3.46Å; T442-L446 PolarHBondContact O-N 2.96Å; L446-L449 WeakPolarHBondContact O-CB 3.35Å; L446-L449 PolarHBondContact O-N 3.09Å; L446-L449 VanDerWaalsContact O-N 3.08Å; L446-L450 HydrophobicContact CB-CD1 4.08Å; L446-L450 WeakPolarHBondContact O-CB 3.48Å; L446-L450 WeakPolarHBondContact O-CG 3.47Å; L446-L450 PolarHBondContact O-N 3.41Å; L446-I473 HydrophobicContact CD2-CD1 4.06Å; L446-T488 HydrophobicContact CD1-CG2 4.37Å; L446-T488 HydrophobicContact CD2-CG2 3.85Å; L446-F491 HydrophobicContact CD1-CD2 4.44Å; L446-I521 HydrophobicContact CD2-CD1 4.49Å
447	I	98.1	Very high	92.5	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-58.5	-48.2	-172.7	-73.7	165.9	0	0	0	112.7	W393 L398 I402 I406 I422 A443 L449 L450 V451	W393-I447 HydrophobicContact CH2-CD1 3.57Å; W393-I447 HydrophobicContact CZ2-CD1 4.48Å; W393-I447 HydrophobicContact CZ3-CD1 3.92Å; L398-I447 HydrophobicContact CD1-CG2 3.91Å; L398-I447 HydrophobicContact CD2-CG2 3.65Å; L398-I447 HydrophobicContact CG-CG2 4.48Å; I402-I447 HydrophobicContact CG2-CG2 4.29Å; I406-I447 HydrophobicContact CD1-CD1 3.74Å; I406-I447 HydrophobicContact CD1-CG1 4.26Å; I406-I447 HydrophobicContact CG1-CD1 4.1Å; I422-I447 HydrophobicContact CD1-CB 4.03Å; I422-I447 HydrophobicContact CD1-CD1 3.7Å; I422-I447 HydrophobicContact CD1-CG1 4.44Å; I422-I447 HydrophobicContact CD1-CG2 4.15Å; I422-I447 HydrophobicContact CG1-CB 4.34Å; I422-I447 HydrophobicContact CG2-CG2 3.86Å; A443-I447 HydrophobicContact CB-CD1 4.2Å; A443-I447 WeakPolarHBondContact O-CB 3.34Å; A443-I447 WeakPolarHBondContact O-CD1 3.12Å; A443-I447 VanDerWaalsContact O-CG1 3.22Å; A443-I447 WeakPolarHBondContact O-CG1 3.25Å; A443-I447 PolarHBondContact O-N 3.36Å; I447-L449 VanDerWaalsContact C-N 3.33Å; I447-L449 PolarHBondContact O-N 2.66Å; I447-L450 PolarHBondContact O-N 2.82Å; I447-V451 VanDerWaalsContact O-CG2 3.28Å; I447-V451 WeakPolarHBondContact O-CG2 3.3Å; I447-V451 PolarHBondContact O-N 3.49Å
448	P	98.1	Very high	93.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60	-37.7	173.8	-25.4	34.8	0	0	0	114.2	I422 L426 A444 W452	I422-P448 HydrophobicContact CB-CG 4.47Å; I422-P448 HydrophobicContact CG2-CG 4.2Å; L426-P448 HydrophobicContact CD2-CB 4.24Å; L426-P448 HydrophobicContact CG-CB 4.42Å; L426-P448 HydrophobicContact CG-CG 4.48Å; A444-P448 WeakPolarHBondContact O-CD 3.39Å; P448-W452 PolarHBondContact O-N 2.93Å; P448-W452 VanDerWaalsContact O-N 3.09Å
449	L	97.9	Very high	93.8	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-65.7	-45.4	176.6	173.6	62.7	0	0	0	111.9	L446 I447 W452 I453 A471 I521 Y545	L446-L449 WeakPolarHBondContact O-CB 3.35Å; L446-L449 PolarHBondContact O-N 3.09Å; L446-L449 VanDerWaalsContact O-N 3.08Å; I447-L449 VanDerWaalsContact C-N 3.33Å; I447-L449 PolarHBondContact O-N 2.66Å; L449-W452 PolarHBondContact O-N 3.38Å; L449-I453 HydrophobicContact CD1-CD1 3.7Å; L449-I453 HydrophobicContact CD1-CG1 4.04Å; L449-I453 HydrophobicContact CG-CD1 3.94Å; L449-I453 WeakPolarHBondContact O-CG1 3.35Å; L449-I453 PolarHBondContact O-N 3.03Å; L449-A471 HydrophobicContact CD1-CB 3.91Å; L449-A471 HydrophobicContact CD2-CB 3.44Å; L449-A471 VanDerWaalsContact CD2-CB 3.44Å; L449-A471 HydrophobicContact CG-CB 4.33Å; L449-I521 HydrophobicContact CD2-CD1 3.83Å; L449-I521 HydrophobicContact CD2-CG1 4.19Å; L449-Y545 HydrophobicContact CB-CD2 3.87Å; L449-Y545 HydrophobicContact CB-CE2 3.81Å; L449-Y545 HydrophobicContact CB-CG 4.4Å; L449-Y545 HydrophobicContact CD1-CD2 3.75Å; L449-Y545 HydrophobicContact CD1-CG 3.94Å; L449-Y545 HydrophobicContact CG-CD2 4.32Å
450	L	97.4	Very high	93.9	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.01	15%	0.15	C	C	.	.	H	α-helix	trans	-67.5	-38.3	179.5	-64.3	169.2	0	0	0	111.5	I402 L446 I447 T454 F491 L495 I497	I402-L450 HydrophobicContact CD1-CB 4.15Å; L446-L450 HydrophobicContact CB-CD1 4.08Å; L446-L450 WeakPolarHBondContact O-CB 3.48Å; L446-L450 WeakPolarHBondContact O-CG 3.47Å; L446-L450 PolarHBondContact O-N 3.41Å; I447-L450 PolarHBondContact O-N 2.82Å; L450-T454 WeakPolarHBondContact O-CB 3.4Å; L450-T454 VanDerWaalsContact O-CG2 3.28Å; L450-T454 WeakPolarHBondContact O-CG2 3.33Å; L450-T454 PolarHBondContact O-N 3.15Å; L450-T454 VanDerWaalsContact O-N 3.12Å; L450-T454 PolarHBondContact O-OG1 3.34Å; L450-F491 HydrophobicContact CD1-CB 3.74Å; L450-F491 HydrophobicContact CD1-CD1 4.22Å; L450-F491 HydrophobicContact CD1-CG 4.22Å; L450-L495 HydrophobicContact CB-CD1 4.07Å; L450-L495 HydrophobicContact CD1-CD1 4.35Å; L450-L495 HydrophobicContact CD2-CD1 4.1Å; L450-L495 HydrophobicContact CG-CD1 4.4Å; L450-I497 HydrophobicContact CD2-CD1 3.57Å
451	V	97.6	Very high	93.5	Very high	9 Å²	9	32.1 Å²	32.1	6%	0.055	16%	0.162	C	C	.	.	H	α-helix	trans	-54.5	-58.7	169.1	168.9	0	0	0	0	109.2	L398 P399 I402 L426 I447 I453 T454 T455 F592	L398-V451 HydrophobicContact CD2-CG2 3.81Å; P399-V451 HydrophobicContact CG-CG1 4.19Å; P399-V451 HydrophobicContact CG-CG2 4.33Å; I402-V451 HydrophobicContact CG1-CG2 3.96Å; I402-V451 HydrophobicContact CG2-CG2 4.23Å; L426-V451 HydrophobicContact CD2-CB 3.99Å; L426-V451 HydrophobicContact CD2-CG1 3.83Å; L426-V451 HydrophobicContact CD2-CG2 4.08Å; I447-V451 VanDerWaalsContact O-CG2 3.28Å; I447-V451 WeakPolarHBondContact O-CG2 3.3Å; I447-V451 PolarHBondContact O-N 3.49Å; V451-I453 PolarHBondContact O-N 3.47Å; V451-T454 PolarHBondContact O-N 2.84Å; V451-T454 PolarHBondContact O-OG1 2.87Å; V451-T454 VanDerWaalsContact O-OG1 3.11Å; V451-T455 HydrophobicContact CG1-CG2 4.46Å; V451-T455 WeakPolarHBondContact O-CG2 3.44Å; V451-T455 PolarHBondContact O-N 3.38Å; V451-T455 PolarHBondContact O-OG1 2.72Å; V451-F592 HydrophobicContact CG1-CE1 4.15Å; V451-F592 HydrophobicContact CG1-CZ 4.27Å
452	W	97.4	Very high	92.8	Very high	4 Å²	4	37 Å²	37	2%	0.015	19%	0.187	C	C	.	.	H	α-helix	trans	-58.8	-51.5	-176.6	178.8	76.3	0	0	0	113.3	P448 L449 T454 T455 L456 Y470 T544 F592 G595 K598	P448-W452 PolarHBondContact O-N 2.93Å; P448-W452 VanDerWaalsContact O-N 3.09Å; L449-W452 PolarHBondContact O-N 3.38Å; W452-T454 VanDerWaalsContact C-N 3.25Å; W452-T454 PolarHBondContact O-N 3.17Å; W452-T455 PolarHBondContact O-N 2.78Å; W452-T455 PolarHBondContact O-OG1 2.71Å; W452-L456 HydrophobicContact CD2-CG 4.48Å; W452-L456 HydrophobicContact CE3-CD1 4.47Å; W452-L456 HydrophobicContact CH2-CD1 3.81Å; W452-L456 HydrophobicContact CZ2-CD1 3.91Å; W452-L456 HydrophobicContact CZ2-CD2 3.86Å; W452-L456 HydrophobicContact CZ2-CG 4.21Å; W452-L456 HydrophobicContact CZ3-CD1 4.1Å; W452-L456 WeakPolarHBondContact O-CG 3.25Å; W452-L456 PolarHBondContact O-N 2.71Å; W452-L456 VanDerWaalsContact O-N 3.12Å; W452-Y470 AromaticContact CH2-CD1 3.53Å; W452-Y470 HydrophobicContact CH2-CD1 3.53Å; W452-Y470 AromaticContact CH2-CE1 3.79Å; W452-Y470 HydrophobicContact CH2-CE1 3.79Å; W452-Y470 HydrophobicContact CH2-CG 4.21Å; W452-Y470 AromaticContact CZ3-CD1 3.61Å; W452-Y470 HydrophobicContact CZ3-CD1 3.61Å; W452-Y470 HydrophobicContact CZ3-CE1 4.17Å; W452-Y470 AromaticContact CZ3-CG 3.8Å; W452-Y470 HydrophobicContact CZ3-CG 3.8Å; W452-T544 HydrophobicContact CE3-CG2 4.3Å; W452-T544 HydrophobicContact CH2-CG2 3.34Å; W452-T544 HydrophobicContact CZ2-CG2 3.87Å; W452-T544 HydrophobicContact CZ3-CG2 3.59Å; W452-F592 HydrophobicContact CB-CE2 4.04Å; W452-F592 HydrophobicContact CB-CZ 3.77Å; W452-G595 VanDerWaalsContact CZ2-O 3.32Å; W452-G595 WeakPolarHBondContact CZ2-O 3.31Å; W452-G595 PolarHBondContact NE1-O 3.4Å; W452-K598 HydrophobicContact CD2-CD 4.2Å; W452-K598 HydrophobicContact CG-CD 4.21Å; W452-K598 HydrophobicContact CZ2-CD 4.29Å; W452-K598 HydrophobicContact CZ2-CG 4.3Å
453	I	95.7	Very high	92.2	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.015	20%	0.199	C	C	.	.	H	α-helix	trans	-58.2	-39	-179.5	-66.5	173.5	0	0	0	111.3	L449 V451 R461 Y470 I497 E520	L449-I453 HydrophobicContact CD1-CD1 3.7Å; L449-I453 HydrophobicContact CD1-CG1 4.04Å; L449-I453 HydrophobicContact CG-CD1 3.94Å; L449-I453 WeakPolarHBondContact O-CG1 3.35Å; L449-I453 PolarHBondContact O-N 3.03Å; V451-I453 PolarHBondContact O-N 3.47Å; I453-R461 WeakPolarHBondContact O-CD 3.26Å; I453-R461 PolarHBondContact O-NE 3.47Å; I453-Y470 HydrophobicContact CD1-CD2 4.34Å; I453-Y470 HydrophobicContact CG1-CD2 4.32Å; I453-I497 HydrophobicContact CB-CD1 4.02Å; I453-I497 HydrophobicContact CD1-CD1 4.41Å; I453-I497 HydrophobicContact CG2-CD1 3.7Å; I453-I497 HydrophobicContact CG2-CG1 3.99Å; I453-E520 HydrophobicContact CD1-CB 4.35Å
454	T	95.2	Very high	91.4	Very high	20 Å²	20	48 Å²	48	12%	0.123	24%	0.237	C	C	.	.	H	α-helix	trans	-80	-27.9	-176.9	58.4	0	0	0	0	113.5	H401 L450 V451 W452 R461 L495 I497	H401-T454 WeakPolarHBondContact NE2-CB 3.46Å; H401-T454 PolarHBondContact NE2-OG1 2.85Å; L450-T454 WeakPolarHBondContact O-CB 3.4Å; L450-T454 VanDerWaalsContact O-CG2 3.28Å; L450-T454 WeakPolarHBondContact O-CG2 3.33Å; L450-T454 PolarHBondContact O-N 3.15Å; L450-T454 VanDerWaalsContact O-N 3.12Å; L450-T454 PolarHBondContact O-OG1 3.34Å; V451-T454 PolarHBondContact O-N 2.84Å; V451-T454 PolarHBondContact O-OG1 2.87Å; V451-T454 VanDerWaalsContact O-OG1 3.11Å; W452-T454 VanDerWaalsContact C-N 3.25Å; W452-T454 PolarHBondContact O-N 3.17Å; T454-R461 PolarHBondContact O-NH2 3.02Å; T454-L495 HydrophobicContact CG2-CB 4.1Å; T454-L495 HydrophobicContact CG2-CD1 4.22Å; T454-L495 HydrophobicContact CG2-CD2 4.28Å; T454-L495 HydrophobicContact CG2-CG 4.43Å; T454-I497 HydrophobicContact CG2-CD1 4.01Å
455	T	93.8	Very high	91	Very high	80 Å²	80	51.9 Å²	51.9	49%	0.491	27%	0.265	S	S	.	.	H	α-helix	trans	-82.5	-15.7	176.1	55.8	0	0	0	0	114	P399 V451 W452	P399-T455 HydrophobicContact CG-CG2 4.42Å; V451-T455 HydrophobicContact CG1-CG2 4.46Å; V451-T455 WeakPolarHBondContact O-CG2 3.44Å; V451-T455 PolarHBondContact O-N 3.38Å; V451-T455 PolarHBondContact O-OG1 2.72Å; W452-T455 PolarHBondContact O-N 2.78Å; W452-T455 PolarHBondContact O-OG1 2.71Å
456	L	92.2	Very high	90.6	Very high	5 Å²	5	56.3 Å²	56.3	3%	0.026	29%	0.289	C	S	.	.	S	Bend	trans	-52.4	128.9	172.2	-76.2	176.7	0	0	0	111.4	W452 R461 Y470 G595 K596	W452-L456 HydrophobicContact CD2-CG 4.48Å; W452-L456 HydrophobicContact CE3-CD1 4.47Å; W452-L456 HydrophobicContact CH2-CD1 3.81Å; W452-L456 HydrophobicContact CZ2-CD1 3.91Å; W452-L456 HydrophobicContact CZ2-CD2 3.86Å; W452-L456 HydrophobicContact CZ2-CG 4.21Å; W452-L456 HydrophobicContact CZ3-CD1 4.1Å; W452-L456 WeakPolarHBondContact O-CG 3.25Å; W452-L456 PolarHBondContact O-N 2.71Å; W452-L456 VanDerWaalsContact O-N 3.12Å; L456-R461 HydrophobicContact CB-CG 3.55Å; L456-R461 HydrophobicContact CD1-CG 3.95Å; L456-R461 HydrophobicContact CG-CG 4.43Å; L456-R461 PolarHBondContact O-NE 3.09Å; L456-Y470 HydrophobicContact CD1-CE1 4.44Å; L456-G595 VanDerWaalsContact CD2-C 3.49Å; L456-K596 HydrophobicContact CD2-CB 4.44Å
457	P	91	Very high	90.3	Very high	64 Å²	64	58.7 Å²	58.7	42%	0.416	30%	0.3	S	S	.	.			trans	-51	147.4	173.9	-29	36.2	0	0	0	112.7	I459 D460 R461	P457-I459 HydrophobicContact CB-CG2 4.15Å; P457-I459 PolarHBondContact O-N 3.17Å; P457-D460 HydrophobicContact CB-CB 4.4Å; P457-D460 WeakPolarHBondContact CB-OD2 3.41Å; P457-D460 WeakPolarHBondContact CD-OD2 3.27Å; P457-D460 VanDerWaalsContact CG-OD2 3.23Å; P457-D460 WeakPolarHBondContact CG-OD2 3.48Å; P457-D460 PolarHBondContact O-N 3.21Å; P457-D460 VanDerWaalsContact O-N 3.09Å; P457-R461 PolarHBondContact O-N 2.82Å; P457-R461 VanDerWaalsContact O-N 3.15Å
458	K	87.1	Confident	90	Very high	177 Å²	177	59 Å²	59	77%	0.77	30%	0.303	S	S	*	.	H	α-helix	trans	-59.3	-36.5	-177.5	-67.7	-175.9	-179.9	179.7	0	112.4	R461 I462	K458-R461 PolarHBondContact O-N 2.92Å; K458-I462 WeakPolarHBondContact O-CG1 3.39Å; K458-I462 PolarHBondContact O-N 2.9Å
459	I	84.6	Confident	89.9	Confident	133 Å²	133	59 Å²	59	68%	0.682	30%	0.303	S	S	*	.	H	α-helix	trans	-64.5	-41.6	176.3	-169.2	167.5	0	0	0	112	P457 R461 I462	P457-I459 HydrophobicContact CB-CG2 4.15Å; P457-I459 PolarHBondContact O-N 3.17Å; I459-R461 VanDerWaalsContact C-N 3.26Å; I459-R461 PolarHBondContact O-N 3.43Å; I459-I462 PolarHBondContact O-N 2.66Å
460	D	81.9	Confident	89.9	Confident	48 Å²	48	59.4 Å²	59.4	26%	0.257	30%	0.304	S	S	.	.	H	α-helix	trans	-69.3	-25.5	179.3	-67.7	-37.4	0	0	0	113.2	P457 K596	P457-D460 HydrophobicContact CB-CB 4.4Å; P457-D460 WeakPolarHBondContact CB-OD2 3.41Å; P457-D460 WeakPolarHBondContact CD-OD2 3.27Å; P457-D460 VanDerWaalsContact CG-OD2 3.23Å; P457-D460 WeakPolarHBondContact CG-OD2 3.48Å; P457-D460 PolarHBondContact O-N 3.21Å; P457-D460 VanDerWaalsContact O-N 3.09Å; D460-K596 HydrophobicContact CB-CB 4.35Å; D460-K596 HydrophobicContact CB-CD 4.04Å; D460-K596 PolarHBondContact O-NZ 3.37Å
461	R	78.6	Confident	89.9	Confident	101 Å²	101	59.3 Å²	59.3	38%	0.381	30%	0.304	S	S	.	.	H	α-helix	trans	-87.2	-11.8	175.3	-69.6	-157.2	-90.4	159.8	-15.7	114.6	I453 T454 L456 P457 K458 I459	I453-R461 WeakPolarHBondContact O-CD 3.26Å; I453-R461 PolarHBondContact O-NE 3.47Å; T454-R461 PolarHBondContact O-NH2 3.02Å; L456-R461 HydrophobicContact CB-CG 3.55Å; L456-R461 HydrophobicContact CD1-CG 3.95Å; L456-R461 HydrophobicContact CG-CG 4.43Å; L456-R461 PolarHBondContact O-NE 3.09Å; P457-R461 PolarHBondContact O-N 2.82Å; P457-R461 VanDerWaalsContact O-N 3.15Å; K458-R461 PolarHBondContact O-N 2.92Å; I459-R461 VanDerWaalsContact C-N 3.26Å; I459-R461 PolarHBondContact O-N 3.43Å
462	I	79.1	Confident	89.9	Confident	109 Å²	109	59.1 Å²	59.1	56%	0.559	30%	0.303	S	S	*	.			trans	-81.8	120.2	171	-70.6	161.7	0	0	0	107.7	K458 I459	K458-I462 WeakPolarHBondContact O-CG1 3.39Å; K458-I462 PolarHBondContact O-N 2.9Å; I459-I462 PolarHBondContact O-N 2.66Å
463	E	80.8	Confident	90	Very high	71 Å²	71	59 Å²	59	33%	0.332	30%	0.302	S	S	.	.			trans	-140.4	124.5	175.4	-79.6	-70.2	-174.8	0	0	107.6	S465 Q467 K596	E463-S465 PolarHBondContact O-N 2.87Å; E463-Q467 PolarHBondContact OE1-NE2 3.43Å; E463-Q467 PolarHBondContact OE2-NE2 3.05Å; E463-K596 WeakPolarHBondContact OE1-CE 3.37Å; E463-K596 IonicContact OE1-NZ 2.69Å; E463-K596 PolarHBondContact OE1-NZ 3.1Å
464	E	81.5	Confident	90.1	Very high	175 Å²	175	59 Å²	59	82%	0.818	30%	0.302	S	S	*	.	S	Bend	trans	-75.3	-1.9	-178.2	-57.6	-63	158.8	0	0	112.8
465	S	88.6	Confident	90.1	Very high	85 Å²	85	58 Å²	58	59%	0.594	30%	0.297	S	S	*	.	S	Bend	trans	-141.2	138	-174.9	-67.5	0	0	0	0	111.6	E463 Q467	E463-S465 PolarHBondContact O-N 2.87Å; S465-Q467 PolarHBondContact O-N 2.88Å
466	D	89	Confident	90.2	Very high	96 Å²	96	54.3 Å²	54.3	51%	0.513	27%	0.274	S	S	.	.			trans	-71.9	98.2	178.2	-89.9	-50.7	0	0	0	111.8	G468 G518	D466-G468 PolarHBondContact O-N 3.29Å; D466-G518 WeakPolarHBondContact OD1-CA 3.2Å
467	Q	90.1	Very high	90.2	Very high	50 Å²	50	54.8 Å²	54.8	23%	0.234	28%	0.277	C	S	.	.			trans	-82.2	10.7	179.8	-66.6	172.2	-2.1	0	0	114.2	E463 S465 S541 R542	E463-Q467 PolarHBondContact OE1-NE2 3.43Å; E463-Q467 PolarHBondContact OE2-NE2 3.05Å; S465-Q467 PolarHBondContact O-N 2.88Å; Q467-S541 PolarHBondContact O-N 3.04Å; Q467-R542 HydrophobicContact CB-CB 4.29Å; Q467-R542 HydrophobicContact CB-CG 3.9Å
468	G	92.4	Very high	90.1	Very high	7 Å²	7	55.6 Å²	55.6	7%	0.072	27%	0.272	C	S	.	.			trans	79.7	-161.5	-170.8	0	0	0	0	0	113.6	D466 V539 R542	D466-G468 PolarHBondContact O-N 3.29Å; G468-V539 WeakPolarHBondContact CA-O 3.42Å; G468-R542 VanDerWaalsContact O-CZ 3.28Å; G468-R542 PolarHBondContact O-NE 2.83Å; G468-R542 PolarHBondContact O-NH2 3.19Å
469	P	96.4	Very high	90.2	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.257	C	S	.	.			trans	-84.1	158.1	-175.2	35.2	-35.7	0	0	0	112.7	A471 I472 E520 V522 L540 R542 C543	P469-A471 WeakPolarHBondContact CB-O 3.13Å; P469-I472 HydrophobicContact CG-CG1 4.41Å; P469-E520 WeakPolarHBondContact CB-O 3.24Å; P469-V522 HydrophobicContact CB-CB 4.34Å; P469-V522 HydrophobicContact CB-CG2 3.96Å; P469-V522 HydrophobicContact CG-CB 4.16Å; P469-V522 HydrophobicContact CG-CG2 3.89Å; P469-L540 HydrophobicContact CG-CD2 4.32Å; P469-R542 CarbonylContact O-C 3.58Å; P469-C543 WeakPolarHBondContact O-CA 3.3Å; P469-C543 PolarHBondContact O-N 2.8Å
470	Y	97.1	Very high	90.3	Very high	8 Å²	8	46.1 Å²	46.1	3%	0.031	23%	0.227	C	C	.	.	S	Bend	trans	-76.1	-27.5	163.4	-71	-64.6	0	0	0	112.2	W452 I453 L456 E520 R542 T544 Y545	W452-Y470 AromaticContact CH2-CD1 3.53Å; W452-Y470 HydrophobicContact CH2-CD1 3.53Å; W452-Y470 AromaticContact CH2-CE1 3.79Å; W452-Y470 HydrophobicContact CH2-CE1 3.79Å; W452-Y470 HydrophobicContact CH2-CG 4.21Å; W452-Y470 AromaticContact CZ3-CD1 3.61Å; W452-Y470 HydrophobicContact CZ3-CD1 3.61Å; W452-Y470 HydrophobicContact CZ3-CE1 4.17Å; W452-Y470 AromaticContact CZ3-CG 3.8Å; W452-Y470 HydrophobicContact CZ3-CG 3.8Å; I453-Y470 HydrophobicContact CD1-CD2 4.34Å; I453-Y470 HydrophobicContact CG1-CD2 4.32Å; L456-Y470 HydrophobicContact CD1-CE1 4.44Å; Y470-E520 HydrophobicContact CD2-CB 4.23Å; Y470-E520 HydrophobicContact CD2-CG 4.03Å; Y470-E520 HydrophobicContact CE2-CG 4.26Å; Y470-E520 PolarHBondContact N-O 3.16Å; Y470-R542 HydrophobicContact CD1-CB 4.39Å; Y470-R542 HydrophobicContact CD1-CG 4.03Å; Y470-R542 HydrophobicContact CE1-CB 4.42Å; Y470-R542 HydrophobicContact CE1-CG 4.18Å; Y470-R542 PolarHBondContact OH-NH1 2.86Å; Y470-T544 PolarHBondContact O-N 2.89Å; Y470-Y545 PolarHBondContact O-N 3.15Å; Y470-Y545 VanDerWaalsContact O-N 3.14Å
471	A	98.1	Very high	90.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	140.6	-175.7	0	0	0	0	0	113.8	L449 P469 E520 I521 V522 Y545	L449-A471 HydrophobicContact CD1-CB 3.91Å; L449-A471 HydrophobicContact CD2-CB 3.44Å; L449-A471 VanDerWaalsContact CD2-CB 3.44Å; L449-A471 HydrophobicContact CG-CB 4.33Å; P469-A471 WeakPolarHBondContact CB-O 3.13Å; A471-E520 PolarHBondContact N-O 3.39Å; A471-I521 HydrophobicContact CB-CG1 4.39Å; A471-I521 HydrophobicContact CB-CG2 4.38Å; A471-V522 PolarHBondContact O-N 3.46Å; A471-Y545 VanDerWaalsContact CA-O 3.28Å; A471-Y545 WeakPolarHBondContact CA-O 3.41Å
472	I	98.1	Very high	91.5	Very high	6 Å²	6	41.8 Å²	41.8	3%	0.031	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	132.8	163.7	-55.8	167.7	0	0	0	108.7	P469 V522 L529 L540 Y545 V547 M570	P469-I472 HydrophobicContact CG-CG1 4.41Å; I472-V522 CarbonylContact C-O 3.57Å; I472-V522 WeakPolarHBondContact CA-O 3.49Å; I472-L529 HydrophobicContact CD1-CD2 4.34Å; I472-L529 HydrophobicContact CG2-CD2 3.81Å; I472-L540 HydrophobicContact CD1-CD1 3.58Å; I472-L540 HydrophobicContact CD1-CD2 3.43Å; I472-L540 VanDerWaalsContact CD1-CD2 3.43Å; I472-L540 HydrophobicContact CD1-CG 4.08Å; I472-L540 HydrophobicContact CG1-CD2 4.07Å; I472-Y545 PolarHBondContact N-O 2.94Å; I472-V547 PolarHBondContact O-N 2.37Å; I472-M570 HydrophobicContact CD1-SD 4.24Å
473	I	98.4	Very high	92	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	114.2	166.4	-57.1	149.2	0	0	0	108.3	F445 L446 I484 I521 V522 I523 A524 V547	F445-I473 HydrophobicContact CD2-CD1 4.46Å; F445-I473 HydrophobicContact CD2-CG1 4.43Å; F445-I473 HydrophobicContact CE2-CD1 3.66Å; F445-I473 HydrophobicContact CE2-CG1 3.77Å; F445-I473 HydrophobicContact CE2-CG2 4.02Å; F445-I473 HydrophobicContact CZ-CD1 4.5Å; F445-I473 HydrophobicContact CZ-CG1 4.47Å; F445-I473 HydrophobicContact CZ-CG2 3.86Å; L446-I473 HydrophobicContact CD2-CD1 4.06Å; I473-I484 HydrophobicContact CD1-CG2 4.22Å; I473-I484 HydrophobicContact CG2-CD1 4.1Å; I473-I484 HydrophobicContact CG2-CG2 3.84Å; I473-I521 HydrophobicContact CD1-CG2 3.71Å; I473-V522 PolarHBondContact N-O 3.44Å; I473-I523 HydrophobicContact CB-CG1 4.22Å; I473-I523 HydrophobicContact CD1-CG1 3.94Å; I473-I523 CarbonylContact O-C 3.59Å; I473-I523 VanDerWaalsContact O-CA 3.31Å; I473-I523 WeakPolarHBondContact O-CA 3.31Å; I473-A524 PolarHBondContact O-N 3.43Å; I473-V547 HydrophobicContact CB-CB 4.29Å; I473-V547 HydrophobicContact CG1-CB 4.09Å; I473-V547 HydrophobicContact CG1-CG2 4.05Å; I473-V547 HydrophobicContact CG2-CB 4.08Å; I473-V547 HydrophobicContact CG2-CG1 4.23Å
474	L	98.1	Very high	92.7	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.016	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	133.2	-178.6	-153	70.4	0	0	0	109.7	A524 P526 L529 V547 L548 D549 M554 V563 I566	L474-A524 WeakPolarHBondContact CA-O 3.39Å; L474-A524 HydrophobicContact CD1-CB 4.09Å; L474-P526 HydrophobicContact CD1-CG 4.46Å; L474-P526 HydrophobicContact CD2-CB 4.41Å; L474-P526 HydrophobicContact CD2-CG 3.92Å; L474-P526 HydrophobicContact CG-CG 4.01Å; L474-L529 HydrophobicContact CD1-CB 4.28Å; L474-L529 HydrophobicContact CD1-CD2 3.65Å; L474-V547 WeakPolarHBondContact CB-O 2.95Å; L474-V547 PolarHBondContact N-O 2.77Å; L474-L548 HydrophobicContact CB-CD2 3.87Å; L474-L548 HydrophobicContact CD2-CD2 3.71Å; L474-L548 HydrophobicContact CG-CD2 4.43Å; L474-D549 PolarHBondContact O-N 2.85Å; L474-M554 VanDerWaalsContact C-CE 3.48Å; L474-M554 HydrophobicContact CB-CE 4Å; L474-M554 HydrophobicContact CD2-CE 4.31Å; L474-M554 HydrophobicContact CD2-SD 4.24Å; L474-M554 HydrophobicContact CG-CE 4.1Å; L474-M554 WeakPolarHBondContact O-CE 3.48Å; L474-V563 HydrophobicContact CD2-CG2 3.97Å; L474-I566 HydrophobicContact CD1-CD1 4.38Å; L474-I566 HydrophobicContact CD2-CD1 4.16Å
475	A	96.4	Very high	93.4	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.152	C	C	.	.			trans	-135.3	143.5	178.5	0	0	0	0	0	110.8	T477 L480 A481 I484 A524 T525 P526	A475-T477 VanDerWaalsContact C-N 3.34Å; A475-T477 PolarHBondContact O-N 2.82Å; A475-L480 HydrophobicContact CB-CB 4.33Å; A475-L480 HydrophobicContact CB-CD2 4.09Å; A475-L480 HydrophobicContact CB-CG 4.13Å; A475-A481 HydrophobicContact CB-CB 4.19Å; A475-I484 HydrophobicContact CB-CD1 4.12Å; A475-A524 PolarHBondContact N-O 2.94Å; A475-T525 WeakPolarHBondContact O-CA 3.47Å; A475-P526 WeakPolarHBondContact O-CD 3.46Å
476	P	94.3	Very high	93.7	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.013	15%	0.152	C	C	.	.	S	Bend	trans	-63.8	-31.9	-174.9	22.8	-35.9	0	0	0	114.3	L480 D549 E550 R553 M554 M557 F559	P476-L480 HydrophobicContact CG-CD2 4.5Å; P476-D549 WeakPolarHBondContact CD-O 3.41Å; P476-E550 HydrophobicContact CG-CB 3.79Å; P476-R553 HydrophobicContact CB-CB 4.39Å; P476-R553 HydrophobicContact CB-CG 4.18Å; P476-R553 HydrophobicContact CG-CB 4.06Å; P476-R553 HydrophobicContact CG-CG 4.03Å; P476-M554 HydrophobicContact CB-CG 3.87Å; P476-M554 HydrophobicContact CG-CG 4.37Å; P476-M557 HydrophobicContact CB-SD 3.92Å; P476-F559 WeakPolarHBondContact O-CE2 3.27Å
477	T	91.9	Very high	93.9	Very high	15 Å²	15	29 Å²	29	9%	0.092	14%	0.136	C	C	.	.	S	Bend	trans	-127.4	156	-177.3	93.4	0	0	0	0	113.3	A475 E479 L480 A481 M557	A475-T477 VanDerWaalsContact C-N 3.34Å; A475-T477 PolarHBondContact O-N 2.82Å; T477-E479 WeakPolarHBondContact CB-OE2 3.1Å; T477-E479 PolarHBondContact O-N 3.34Å; T477-E479 PolarHBondContact OG1-N 3.38Å; T477-E479 PolarHBondContact OG1-OE2 2.9Å; T477-L480 PolarHBondContact O-N 3.11Å; T477-A481 WeakPolarHBondContact O-CB 3.19Å; T477-A481 PolarHBondContact O-N 2.86Å; T477-M557 HydrophobicContact CG2-CE 4.23Å; T477-M557 HydrophobicContact CG2-SD 3.78Å
478	R	90.1	Very high	94.2	Very high	81 Å²	81	26.7 Å²	26.7	31%	0.306	13%	0.125	S	C	.	.	H	α-helix	trans	-54.3	-43.6	176.8	-176.1	-157.6	170.5	131.4	14	111.2	A481 Q482 I503 G504 G505	R478-A481 PolarHBondContact O-N 3.19Å; R478-Q482 WeakPolarHBondContact O-CG 3.23Å; R478-Q482 PolarHBondContact O-N 3.18Å; R478-I503 HydrophobicContact CG-CB 4.44Å; R478-I503 HydrophobicContact CG-CD1 3.81Å; R478-I503 HydrophobicContact CG-CG1 4.3Å; R478-G504 WeakPolarHBondContact CD-O 3.4Å; R478-G504 PolarHBondContact NH1-O 3.42Å; R478-G505 VanDerWaalsContact NH1-C 3.29Å; R478-G505 PolarHBondContact NH1-O 3.02Å; R478-G505 PolarHBondContact NH2-O 3.45Å; R478-G505 VanDerWaalsContact NH2-O 3.13Å
479	E	88.1	Confident	94.4	Very high	100 Å²	100	28.6 Å²	28.6	47%	0.467	13%	0.133	S	C	.	.	H	α-helix	trans	-64.5	-45.9	-174.9	-59.1	73.4	-162.2	0	0	111.5	T477 Q482 Q483	T477-E479 WeakPolarHBondContact CB-OE2 3.1Å; T477-E479 PolarHBondContact O-N 3.34Å; T477-E479 PolarHBondContact OG1-N 3.38Å; T477-E479 PolarHBondContact OG1-OE2 2.9Å; E479-Q482 PolarHBondContact O-N 3.4Å; E479-Q483 WeakPolarHBondContact O-CG 3.5Å; E479-Q483 PolarHBondContact O-N 2.77Å
480	L	88.4	Confident	94.3	Very high	10 Å²	10	33.2 Å²	33.2	5%	0.052	15%	0.153	C	C	.	.	H	α-helix	trans	-66.5	-41	175.7	-176.8	62.8	0	0	0	111	T437 A475 P476 T477 Q482 Q483 I484 E550	T437-L480 HydrophobicContact CG2-CD1 3.83Å; A475-L480 HydrophobicContact CB-CB 4.33Å; A475-L480 HydrophobicContact CB-CD2 4.09Å; A475-L480 HydrophobicContact CB-CG 4.13Å; P476-L480 HydrophobicContact CG-CD2 4.5Å; T477-L480 PolarHBondContact O-N 3.11Å; L480-Q482 VanDerWaalsContact C-N 3.28Å; L480-Q482 PolarHBondContact O-N 3.13Å; L480-Q483 PolarHBondContact O-N 3.39Å; L480-I484 HydrophobicContact CD1-CD1 4.42Å; L480-I484 HydrophobicContact CG-CD1 4.02Å; L480-I484 VanDerWaalsContact O-CG1 3.29Å; L480-I484 WeakPolarHBondContact O-CG1 3.26Å; L480-I484 PolarHBondContact O-N 2.92Å; L480-E550 HydrophobicContact CD2-CB 4.13Å; L480-E550 HydrophobicContact CD2-CG 3.78Å
481	A	93.7	Very high	94.2	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.7	-35	175.4	0	0	0	0	0	112.8	A475 T477 R478 E485 I503 I523 T525	A475-A481 HydrophobicContact CB-CB 4.19Å; T477-A481 WeakPolarHBondContact O-CB 3.19Å; T477-A481 PolarHBondContact O-N 2.86Å; R478-A481 PolarHBondContact O-N 3.19Å; A481-E485 WeakPolarHBondContact O-CB 3.36Å; A481-E485 PolarHBondContact O-N 2.75Å; A481-I503 HydrophobicContact CB-CG2 3.6Å; A481-I523 HydrophobicContact CB-CG2 4.08Å; A481-I523 WeakPolarHBondContact O-CG2 3.02Å; A481-T525 HydrophobicContact CB-CG2 4.39Å
482	Q	91.2	Very high	94.1	Very high	58 Å²	58	33 Å²	33	27%	0.271	15%	0.152	S	C	.	.	H	α-helix	trans	-72	-39.5	174	-71.1	-175.9	-92.4	0	0	112.5	R478 E479 L480 I484 E485 E486 I503	R478-Q482 WeakPolarHBondContact O-CG 3.23Å; R478-Q482 PolarHBondContact O-N 3.18Å; E479-Q482 PolarHBondContact O-N 3.4Å; L480-Q482 VanDerWaalsContact C-N 3.28Å; L480-Q482 PolarHBondContact O-N 3.13Å; Q482-I484 VanDerWaalsContact C-N 3.3Å; Q482-I484 PolarHBondContact O-N 3.04Å; Q482-E485 PolarHBondContact O-N 2.91Å; Q482-E485 VanDerWaalsContact O-N 3.13Å; Q482-E486 WeakPolarHBondContact O-CG 3.5Å; Q482-E486 PolarHBondContact O-N 2.84Å; Q482-I503 HydrophobicContact CG-CD1 3.44Å; Q482-I503 VanDerWaalsContact CG-CD1 3.44Å
483	Q	90.1	Very high	93.9	Very high	84 Å²	84	40 Å²	40	39%	0.393	18%	0.182	S	C	.	.	H	α-helix	trans	-59.6	-42.2	172.5	-70.9	178.5	-22.4	0	0	111.5	E479 L480 E487 G727	E479-Q483 WeakPolarHBondContact O-CG 3.5Å; E479-Q483 PolarHBondContact O-N 2.77Å; L480-Q483 PolarHBondContact O-N 3.39Å; Q483-E487 PolarHBondContact O-N 2.86Å; Q483-E487 VanDerWaalsContact O-N 3.14Å; Q483-G727 PolarHBondContact NE2-O 3.3Å
484	I	94.9	Very high	93.8	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-66.6	-38.7	174	-63.5	169.4	0	0	0	110.8	T442 F445 I473 A475 L480 Q482 T488 I523 D549	T442-I484 HydrophobicContact CG2-CB 4.33Å; T442-I484 HydrophobicContact CG2-CG1 4.15Å; T442-I484 HydrophobicContact CG2-CG2 3.99Å; F445-I484 HydrophobicContact CZ-CG2 4.36Å; I473-I484 HydrophobicContact CD1-CG2 4.22Å; I473-I484 HydrophobicContact CG2-CD1 4.1Å; I473-I484 HydrophobicContact CG2-CG2 3.84Å; A475-I484 HydrophobicContact CB-CD1 4.12Å; L480-I484 HydrophobicContact CD1-CD1 4.42Å; L480-I484 HydrophobicContact CG-CD1 4.02Å; L480-I484 VanDerWaalsContact O-CG1 3.29Å; L480-I484 WeakPolarHBondContact O-CG1 3.26Å; L480-I484 PolarHBondContact O-N 2.92Å; Q482-I484 VanDerWaalsContact C-N 3.3Å; Q482-I484 PolarHBondContact O-N 3.04Å; I484-T488 WeakPolarHBondContact O-CB 3.46Å; I484-T488 PolarHBondContact O-N 3.42Å; I484-T488 PolarHBondContact O-OG1 2.79Å; I484-I523 HydrophobicContact CB-CG2 4.2Å; I484-I523 HydrophobicContact CG2-CD1 3.9Å; I484-I523 HydrophobicContact CG2-CG1 4.16Å; I484-I523 HydrophobicContact CG2-CG2 3.96Å; I484-D549 HydrophobicContact CD1-CB 4.44Å
485	E	95.8	Very high	93.6	Very high	22 Å²	22	45.1 Å²	45.1	10%	0.103	21%	0.214	C	C	.	.	H	α-helix	trans	-61.7	-47.4	175.7	-177.4	178	-150.8	0	0	111.7	A481 Q482 T488 I489 A501 I523	A481-E485 WeakPolarHBondContact O-CB 3.36Å; A481-E485 PolarHBondContact O-N 2.75Å; Q482-E485 PolarHBondContact O-N 2.91Å; Q482-E485 VanDerWaalsContact O-N 3.13Å; E485-T488 PolarHBondContact O-N 2.86Å; E485-I489 HydrophobicContact CG-CD1 3.66Å; E485-I489 HydrophobicContact CG-CG1 4.29Å; E485-I489 VanDerWaalsContact O-CB 3.25Å; E485-I489 WeakPolarHBondContact O-CB 3.32Å; E485-I489 VanDerWaalsContact O-CG1 3.24Å; E485-I489 WeakPolarHBondContact O-CG1 3.33Å; E485-I489 PolarHBondContact O-N 3.05Å; E485-A501 HydrophobicContact CG-CB 4.31Å; E485-A501 WeakPolarHBondContact OE1-CB 3.25Å; E485-A501 VanDerWaalsContact OE2-CB 3.27Å; E485-A501 WeakPolarHBondContact OE2-CB 3.23Å; E485-I523 VanDerWaalsContact CA-CD1 3.46Å; E485-I523 HydrophobicContact CB-CD1 4.01Å
486	E	94.4	Very high	93.5	Very high	126 Å²	126	48.2 Å²	48.2	59%	0.589	25%	0.246	S	C	*	.	H	α-helix	trans	-61.3	-46.7	178.7	-71.7	169.2	-157.6	0	0	112	Q482 K490	Q482-E486 WeakPolarHBondContact O-CG 3.5Å; Q482-E486 PolarHBondContact O-N 2.84Å; E486-K490 WeakPolarHBondContact O-CB 3.22Å; E486-K490 PolarHBondContact O-N 3.06Å
487	E	94.6	Very high	93.6	Very high	36 Å²	36	48.5 Å²	48.5	17%	0.168	25%	0.247	C	C	.	.	H	α-helix	trans	-68.5	-40.3	177.7	-168.9	170.2	-177	0	0	111.8	Y411 T442 Q483 K490 F491	Y411-E487 VanDerWaalsContact OH-CD 3.24Å; Y411-E487 WeakPolarHBondContact OH-CG 3.36Å; Y411-E487 PolarHBondContact OH-OE1 3.12Å; T442-E487 WeakPolarHBondContact CB-OE2 3.35Å; T442-E487 HydrophobicContact CG2-CB 4.25Å; T442-E487 HydrophobicContact CG2-CG 4.27Å; T442-E487 PolarHBondContact OG1-OE2 3.16Å; Q483-E487 PolarHBondContact O-N 2.86Å; Q483-E487 VanDerWaalsContact O-N 3.14Å; E487-K490 WeakPolarHBondContact O-CB 3.49Å; E487-K490 PolarHBondContact O-N 2.94Å; E487-F491 HydrophobicContact CG-CD2 4.25Å; E487-F491 HydrophobicContact CG-CE2 4.23Å; E487-F491 WeakPolarHBondContact O-CD2 3.43Å; E487-F491 PolarHBondContact O-N 3.27Å
488	T	96.7	Very high	93.7	Very high	1 Å²	1	53 Å²	53	1%	0.006	26%	0.262	C	S	.	.	H	α-helix	trans	-66.6	-40.5	177	-54.8	0	0	0	0	111.7	L446 I484 E485 K490 F491 G492 T499 I521 I523	L446-T488 HydrophobicContact CD1-CG2 4.37Å; L446-T488 HydrophobicContact CD2-CG2 3.85Å; I484-T488 WeakPolarHBondContact O-CB 3.46Å; I484-T488 PolarHBondContact O-N 3.42Å; I484-T488 PolarHBondContact O-OG1 2.79Å; E485-T488 PolarHBondContact O-N 2.86Å; T488-K490 VanDerWaalsContact C-N 3.33Å; T488-K490 PolarHBondContact O-N 3.35Å; T488-F491 PolarHBondContact O-N 3.03Å; T488-G492 WeakPolarHBondContact O-CA 3.27Å; T488-G492 PolarHBondContact O-N 3.04Å; T488-T499 HydrophobicContact CG2-CG2 3.85Å; T488-T499 WeakPolarHBondContact CG2-OG1 3.22Å; T488-I521 HydrophobicContact CG2-CD1 3.79Å; T488-I521 HydrophobicContact CG2-CG2 4.3Å; T488-I523 HydrophobicContact CG2-CD1 4.29Å
489	I	96.2	Very high	94	Very high	47 Å²	47	50.1 Å²	50.1	24%	0.241	25%	0.254	C	S	.	.	H	α-helix	trans	-63.8	-39.5	175.6	-77.3	176.4	0	0	0	111.1	E485 G492 K493	E485-I489 HydrophobicContact CG-CD1 3.66Å; E485-I489 HydrophobicContact CG-CG1 4.29Å; E485-I489 VanDerWaalsContact O-CB 3.25Å; E485-I489 WeakPolarHBondContact O-CB 3.32Å; E485-I489 VanDerWaalsContact O-CG1 3.24Å; E485-I489 WeakPolarHBondContact O-CG1 3.33Å; E485-I489 PolarHBondContact O-N 3.05Å; I489-G492 PolarHBondContact O-N 3.15Å; I489-K493 HydrophobicContact CG2-CD 3.67Å; I489-K493 HydrophobicContact CG2-CG 4.09Å; I489-K493 WeakPolarHBondContact O-CB 3.39Å; I489-K493 PolarHBondContact O-N 2.9Å
490	K	94.5	Very high	94.4	Very high	96 Å²	96	45.7 Å²	45.7	42%	0.417	23%	0.234	S	C	.	.	H	α-helix	trans	-61	-41.9	177.8	-178.3	-173.6	172.2	-169.6	0	112.1	C409 E486 E487 T488 P494	C409-K490 VanDerWaalsContact O-CE 3.25Å; C409-K490 WeakPolarHBondContact O-CE 3.43Å; C409-K490 PolarHBondContact O-NZ 2.86Å; E486-K490 WeakPolarHBondContact O-CB 3.22Å; E486-K490 PolarHBondContact O-N 3.06Å; E487-K490 WeakPolarHBondContact O-CB 3.49Å; E487-K490 PolarHBondContact O-N 2.94Å; T488-K490 VanDerWaalsContact C-N 3.33Å; T488-K490 PolarHBondContact O-N 3.35Å; K490-P494 VanDerWaalsContact O-CD 3.29Å; K490-P494 WeakPolarHBondContact O-CD 3.14Å
491	F	94.8	Very high	94.8	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.018	23%	0.232	C	C	.	.	H	α-helix	trans	-79.7	-37.9	174.4	-82.8	-81.3	0	0	0	113.9	V405 I406 C409 Y411 A443 L446 L450 E487 T488	V405-F491 HydrophobicContact CG1-CD1 3.84Å; I406-F491 HydrophobicContact CG1-CE1 3.97Å; C409-F491 HydrophobicContact CB-CE1 4.26Å; C409-F491 HydrophobicContact CB-CZ 4.23Å; Y411-F491 HydrophobicContact CD1-CZ 4.49Å; Y411-F491 HydrophobicContact CD2-CE2 4.27Å; Y411-F491 AromaticContact CD2-CZ 3.73Å; Y411-F491 HydrophobicContact CD2-CZ 3.73Å; Y411-F491 HydrophobicContact CE1-CE2 4.34Å; Y411-F491 HydrophobicContact CE1-CZ 4.31Å; Y411-F491 AromaticContact CE2-CE2 3.6Å; Y411-F491 HydrophobicContact CE2-CE2 3.6Å; Y411-F491 AromaticContact CE2-CZ 3.55Å; Y411-F491 HydrophobicContact CE2-CZ 3.55Å; Y411-F491 HydrophobicContact CG-CZ 4.23Å; Y411-F491 AromaticContact CZ-CE2 3.65Å; Y411-F491 AromaticContact CZ-CZ 3.87Å; A443-F491 HydrophobicContact CB-CE2 4.06Å; A443-F491 HydrophobicContact CB-CZ 4.1Å; L446-F491 HydrophobicContact CD1-CD2 4.44Å; L450-F491 HydrophobicContact CD1-CB 3.74Å; L450-F491 HydrophobicContact CD1-CD1 4.22Å; L450-F491 HydrophobicContact CD1-CG 4.22Å; E487-F491 HydrophobicContact CG-CD2 4.25Å; E487-F491 HydrophobicContact CG-CE2 4.23Å; E487-F491 WeakPolarHBondContact O-CD2 3.43Å; E487-F491 PolarHBondContact O-N 3.27Å; T488-F491 PolarHBondContact O-N 3.03Å
492	G	94.8	Very high	94.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-79.6	-39.4	-170	0	0	0	0	0	114.6	T488 I489 L495 G496 I497	T488-G492 WeakPolarHBondContact O-CA 3.27Å; T488-G492 PolarHBondContact O-N 3.04Å; I489-G492 PolarHBondContact O-N 3.15Å; G492-L495 CarbonylContact O-C 3.58Å; G492-L495 WeakPolarHBondContact O-CA 3.19Å; G492-L495 PolarHBondContact O-N 3.23Å; G492-G496 PolarHBondContact O-N 2.88Å; G492-G496 VanDerWaalsContact O-N 3.14Å; G492-I497 PolarHBondContact O-N 2.7Å
493	K	94.4	Very high	95	Very high	154 Å²	154	42.6 Å²	42.6	67%	0.67	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-58.8	-45.3	-179.8	-82.1	-177.2	177.1	170.8	0	113.6	I489 L495 G496	I489-K493 HydrophobicContact CG2-CD 3.67Å; I489-K493 HydrophobicContact CG2-CG 4.09Å; I489-K493 WeakPolarHBondContact O-CB 3.39Å; I489-K493 PolarHBondContact O-N 2.9Å; K493-L495 PolarHBondContact O-N 2.85Å; K493-L495 VanDerWaalsContact O-N 3.15Å; K493-G496 PolarHBondContact O-N 2.8Å; K493-G496 VanDerWaalsContact O-N 3.15Å
494	P	95.8	Very high	94.9	Very high	82 Å²	82	40.2 Å²	40.2	53%	0.532	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-58.5	-22.2	173.7	-26.8	36.2	0	0	0	114.8	V405 K490	V405-P494 HydrophobicContact CG1-CB 4.34Å; V405-P494 HydrophobicContact CG1-CG 4.4Å; V405-P494 HydrophobicContact CG2-CB 3.73Å; K490-P494 VanDerWaalsContact O-CD 3.29Å; K490-P494 WeakPolarHBondContact O-CD 3.14Å
495	L	94.8	Very high	94.4	Very high	29 Å²	29	43.2 Å²	43.2	15%	0.152	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-101.6	1.7	-178.3	-61.3	176	0	0	0	113.3	I402 V405 L450 T454 G492 K493 I497	I402-L495 HydrophobicContact CD1-CD1 3.7Å; I402-L495 HydrophobicContact CD1-CD2 4.3Å; V405-L495 HydrophobicContact CG2-CD2 3.81Å; V405-L495 HydrophobicContact CG2-CG 4.11Å; L450-L495 HydrophobicContact CB-CD1 4.07Å; L450-L495 HydrophobicContact CD1-CD1 4.35Å; L450-L495 HydrophobicContact CD2-CD1 4.1Å; L450-L495 HydrophobicContact CG-CD1 4.4Å; T454-L495 HydrophobicContact CG2-CB 4.1Å; T454-L495 HydrophobicContact CG2-CD1 4.22Å; T454-L495 HydrophobicContact CG2-CD2 4.28Å; T454-L495 HydrophobicContact CG2-CG 4.43Å; G492-L495 CarbonylContact O-C 3.58Å; G492-L495 WeakPolarHBondContact O-CA 3.19Å; G492-L495 PolarHBondContact O-N 3.23Å; K493-L495 PolarHBondContact O-N 2.85Å; K493-L495 VanDerWaalsContact O-N 3.15Å; L495-I497 VanDerWaalsContact C-N 3.33Å; L495-I497 HydrophobicContact CB-CD1 4.01Å; L495-I497 HydrophobicContact CB-CG1 4.19Å
496	G	94.3	Very high	93.9	Very high	65 Å²	65	44.3 Å²	44.3	67%	0.67	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	20.2	-177.1	0	0	0	0	0	114.7	G492 K493	G492-G496 PolarHBondContact O-N 2.88Å; G492-G496 VanDerWaalsContact O-N 3.14Å; K493-G496 PolarHBondContact O-N 2.8Å; K493-G496 VanDerWaalsContact O-N 3.15Å
497	I	95.7	Very high	93.5	Very high	8 Å²	8	41.3 Å²	41.3	4%	0.041	25%	0.247	C	C	.	.			trans	-96.5	120.3	-174.3	-67	175.2	0	0	0	110.1	L450 I453 T454 G492 L495 E520 I521	L450-I497 HydrophobicContact CD2-CD1 3.57Å; I453-I497 HydrophobicContact CB-CD1 4.02Å; I453-I497 HydrophobicContact CD1-CD1 4.41Å; I453-I497 HydrophobicContact CG2-CD1 3.7Å; I453-I497 HydrophobicContact CG2-CG1 3.99Å; T454-I497 HydrophobicContact CG2-CD1 4.01Å; G492-I497 PolarHBondContact O-N 2.7Å; L495-I497 VanDerWaalsContact C-N 3.33Å; L495-I497 HydrophobicContact CB-CD1 4.01Å; L495-I497 HydrophobicContact CB-CG1 4.19Å; I497-E520 HydrophobicContact CG2-CB 3.78Å; I497-E520 HydrophobicContact CG2-CG 4.35Å; I497-I521 HydrophobicContact CG2-CD1 3.83Å; I497-I521 HydrophobicContact CG2-CG1 4.04Å
498	R	95	Very high	93	Very high	108 Å²	108	46.6 Å²	46.6	41%	0.408	27%	0.266	S	S	.	.			trans	-84	134.1	-177.9	-57.6	169.5	-71.8	-178.8	-7.4	111	M517 G518 C519 E520 I521	R498-M517 PolarHBondContact NH1-O 3.17Å; R498-G518 WeakPolarHBondContact CD-O 3.49Å; R498-G518 PolarHBondContact NE-O 3.27Å; R498-G518 PolarHBondContact NH1-O 3.04Å; R498-C519 HydrophobicContact CB-CB 4.29Å; R498-E520 WeakPolarHBondContact CB-OE2 3.45Å; R498-E520 WeakPolarHBondContact CG-OE2 3.19Å; R498-E520 IonicContact CZ-OE1 2.69Å; R498-E520 IonicContact CZ-OE2 3.44Å; R498-E520 PolarHBondContact N-OE2 3.22Å; R498-E520 IonicContact NE-OE1 3.29Å; R498-E520 PolarHBondContact NE-OE1 3.13Å; R498-E520 IonicContact NE-OE2 3.35Å; R498-E520 PolarHBondContact NE-OE2 3.41Å; R498-E520 IonicContact NH2-OE1 3.83Å; R498-E520 PolarHBondContact NH2-OE1 3.26Å; R498-E520 IonicContact NH2-OE2 2.7Å; R498-E520 PolarHBondContact O-N 2.97Å; R498-I521 PolarHBondContact O-N 2.76Å; R498-I521 VanDerWaalsContact O-N 3.1Å
499	T	96.8	Very high	92.3	Very high	21 Å²	21	54.3 Å²	54.3	13%	0.129	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	137.8	-179.7	-56.9	0	0	0	0	110.2	T488 I521 I523	T488-T499 HydrophobicContact CG2-CG2 3.85Å; T488-T499 WeakPolarHBondContact CG2-OG1 3.22Å; T499-I521 VanDerWaalsContact CA-O 3.32Å; T499-I521 WeakPolarHBondContact CA-O 3.08Å; T499-I521 HydrophobicContact CG2-CB 4.39Å; T499-I521 HydrophobicContact CG2-CG2 4.44Å; T499-I523 HydrophobicContact CG2-CD1 3.42Å; T499-I523 VanDerWaalsContact CG2-CD1 3.42Å; T499-I523 HydrophobicContact CG2-CG1 4.14Å
500	V	95.9	Very high	91.8	Very high	8 Å²	8	55 Å²	55	5%	0.048	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	127.2	179.9	177.1	0	0	0	0	111.4	V502 R514 L515 C519 I521 V522 I523	V500-V502 HydrophobicContact CG1-CG2 4.47Å; V500-R514 HydrophobicContact CG1-CB 3.82Å; V500-R514 HydrophobicContact CG2-CB 4.18Å; V500-L515 HydrophobicContact CG1-CD2 4.06Å; V500-L515 HydrophobicContact CG1-CG 4.42Å; V500-C519 HydrophobicContact CB-CB 4.46Å; V500-C519 HydrophobicContact CG2-CB 3.79Å; V500-I521 PolarHBondContact N-O 3.12Å; V500-V522 WeakPolarHBondContact O-CA 3.07Å; V500-I523 PolarHBondContact O-N 3.01Å
501	A	95.8	Very high	91.4	Very high	2 Å²	2	50.5 Å²	50.5	2%	0.017	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	121.2	174.1	0	0	0	0	0	114.3	E485 I503 Q511 I523	E485-A501 HydrophobicContact CG-CB 4.31Å; E485-A501 WeakPolarHBondContact OE1-CB 3.25Å; E485-A501 VanDerWaalsContact OE2-CB 3.27Å; E485-A501 WeakPolarHBondContact OE2-CB 3.23Å; A501-I503 HydrophobicContact CB-CD1 4.14Å; A501-I503 HydrophobicContact CB-CG1 4.24Å; A501-I503 HydrophobicContact CB-CG2 4.3Å; A501-Q511 PolarHBondContact O-NE2 3.11Å; A501-I523 CarbonylContact C-O 3.59Å; A501-I523 VanDerWaalsContact CA-O 3.28Å; A501-I523 WeakPolarHBondContact CA-O 3.42Å
502	V	96	Very high	90.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	73.4	177.5	-179.5	0	0	0	0	108.9	V500 L515 V522 I523 A524 T525 R528 V532	V500-V502 HydrophobicContact CG1-CG2 4.47Å; V502-L515 HydrophobicContact CG2-CD1 4.36Å; V502-L515 HydrophobicContact CG2-CD2 3.94Å; V502-V522 HydrophobicContact CB-CG1 4.21Å; V502-V522 HydrophobicContact CG2-CG1 3.8Å; V502-I523 PolarHBondContact N-O 3.38Å; V502-A524 HydrophobicContact CB-CB 3.97Å; V502-A524 WeakPolarHBondContact O-CA 3.43Å; V502-A524 WeakPolarHBondContact O-CB 3.41Å; V502-T525 PolarHBondContact O-N 3.44Å; V502-R528 HydrophobicContact CG1-CG 4.03Å; V502-V532 HydrophobicContact CG1-CB 4.17Å; V502-V532 HydrophobicContact CG1-CG1 4.31Å; V502-V532 HydrophobicContact CG1-CG2 3.8Å
503	I	94.7	Very high	90.4	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.323	C	S	.	.			trans	-129	159.2	-168.7	66.1	178.8	0	0	0	112.8	R478 A481 Q482 A501 I506 Q511 T525	R478-I503 HydrophobicContact CG-CB 4.44Å; R478-I503 HydrophobicContact CG-CD1 3.81Å; R478-I503 HydrophobicContact CG-CG1 4.3Å; A481-I503 HydrophobicContact CB-CG2 3.6Å; Q482-I503 HydrophobicContact CG-CD1 3.44Å; Q482-I503 VanDerWaalsContact CG-CD1 3.44Å; A501-I503 HydrophobicContact CB-CD1 4.14Å; A501-I503 HydrophobicContact CB-CG1 4.24Å; A501-I503 HydrophobicContact CB-CG2 4.3Å; I503-I506 HydrophobicContact CD1-CD1 3.91Å; I503-I506 HydrophobicContact CG1-CD1 3.68Å; I503-I506 HydrophobicContact CG1-CG1 4.25Å; I503-Q511 PolarHBondContact O-NE2 2.99Å; I503-T525 HydrophobicContact CB-CG2 4.43Å; I503-T525 HydrophobicContact CG2-CG2 4.2Å
504	G	87.1	Confident	90.2	Very high	35 Å²	35	54.8 Å²	54.8	36%	0.361	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	142.5	179.1	0	0	0	0	0	114	R478	R478-G504 WeakPolarHBondContact CD-O 3.4Å; R478-G504 PolarHBondContact NH1-O 3.42Å
505	G	83.8	Confident	89.7	Confident	63 Å²	63	51.9 Å²	51.9	65%	0.649	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	29.4	172.7	0	0	0	0	0	115.6	R478	R478-G505 VanDerWaalsContact NH1-C 3.29Å; R478-G505 PolarHBondContact NH1-O 3.02Å; R478-G505 PolarHBondContact NH2-O 3.45Å; R478-G505 VanDerWaalsContact NH2-O 3.13Å
506	I	85.1	Confident	89.4	Confident	46 Å²	46	60 Å²	60	24%	0.236	32%	0.317	C	S	.	.	S	Bend	trans	-110.8	157.1	156.2	-59.7	177.5	0	0	0	106.6	I503 R508 D510 Q511	I503-I506 HydrophobicContact CD1-CD1 3.91Å; I503-I506 HydrophobicContact CG1-CD1 3.68Å; I503-I506 HydrophobicContact CG1-CG1 4.25Å; I506-R508 PolarHBondContact O-N 2.95Å; I506-D510 HydrophobicContact CG2-CB 4.38Å; I506-Q511 HydrophobicContact CB-CG 4.31Å; I506-Q511 HydrophobicContact CG2-CG 4.05Å
507	S	86.3	Confident	89	Confident	62 Å²	62	62.4 Å²	62.4	43%	0.434	31%	0.312	S	S	.	.			trans	-58.2	137.3	174.9	-179.8	0	0	0	0	111.2	E509 D510 Q511	S507-E509 PolarHBondContact O-N 3.1Å; S507-E509 PolarHBondContact OG-N 3.12Å; S507-D510 PolarHBondContact O-N 3.25Å; S507-Q511 PolarHBondContact O-N 3.33Å; S507-Q511 VanDerWaalsContact O-N 3.12Å
508	R	83.8	Confident	88.7	Confident	147 Å²	147	62.3 Å²	62.3	56%	0.555	31%	0.313	S	S	*	.	H	α-helix	trans	-62.8	-28	173	-71.9	-171.6	176.8	-111.7	-9.9	111.5	I506 G512 D531	I506-R508 PolarHBondContact O-N 2.95Å; R508-G512 PolarHBondContact O-N 2.76Å; R508-D531 IonicContact CZ-OD2 3.74Å; R508-D531 IonicContact NH1-OD2 2.7Å; R508-D531 PolarHBondContact NH1-OD2 2.98Å; R508-D531 IonicContact NH2-OD1 3.34Å; R508-D531 IonicContact NH2-OD2 2.65Å; R508-D531 PolarHBondContact NH2-OD2 2.78Å
509	E	82.7	Confident	88.5	Confident	164 Å²	164	57.3 Å²	57.3	77%	0.766	29%	0.294	S	S	*	.	H	α-helix	trans	-72.9	-46.8	177.5	-62	175.8	151.3	0	0	111.8	S507 Q511 G512 F513	S507-E509 PolarHBondContact O-N 3.1Å; S507-E509 PolarHBondContact OG-N 3.12Å; E509-Q511 PolarHBondContact O-N 2.87Å; E509-G512 PolarHBondContact O-N 3.2Å; E509-F513 WeakPolarHBondContact O-CB 3.46Å; E509-F513 PolarHBondContact O-N 3.28Å
510	D	85.9	Confident	88.5	Confident	61 Å²	61	57.2 Å²	57.2	33%	0.326	29%	0.292	S	S	.	.	H	α-helix	trans	-62	-43.4	176.7	-179.5	76.9	0	0	0	111.1	I506 S507 F513 R514	I506-D510 HydrophobicContact CG2-CB 4.38Å; S507-D510 PolarHBondContact O-N 3.25Å; D510-F513 PolarHBondContact O-N 3.14Å; D510-R514 WeakPolarHBondContact O-CG 3.42Å; D510-R514 PolarHBondContact O-N 3.09Å; D510-R514 IonicContact OD1-NE 3.19Å; D510-R514 IonicContact OD1-NH2 2.94Å; D510-R514 IonicContact OD2-CZ 3.08Å; D510-R514 IonicContact OD2-NE 2.73Å; D510-R514 PolarHBondContact OD2-NE 3.27Å; D510-R514 IonicContact OD2-NH2 2.7Å; D510-R514 PolarHBondContact OD2-NH2 2.89Å
511	Q	85.2	Confident	88.6	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-63.1	-45.4	172.5	-75.5	-178	-17.8	0	0	112.4	A501 I503 I506 S507 E509 F513 R514 L515	A501-Q511 PolarHBondContact O-NE2 3.11Å; I503-Q511 PolarHBondContact O-NE2 2.99Å; I506-Q511 HydrophobicContact CB-CG 4.31Å; I506-Q511 HydrophobicContact CG2-CG 4.05Å; S507-Q511 PolarHBondContact O-N 3.33Å; S507-Q511 VanDerWaalsContact O-N 3.12Å; E509-Q511 PolarHBondContact O-N 2.87Å; Q511-F513 VanDerWaalsContact C-N 3.28Å; Q511-F513 PolarHBondContact O-N 2.75Å; Q511-R514 PolarHBondContact O-N 3.13Å; Q511-L515 WeakPolarHBondContact O-CB 3.32Å; Q511-L515 VanDerWaalsContact O-CG 3.3Å; Q511-L515 WeakPolarHBondContact O-CG 3.3Å; Q511-L515 PolarHBondContact O-N 3.01Å
512	G	82.5	Confident	88.7	Confident	20 Å²	20	56.7 Å²	56.7	21%	0.206	29%	0.289	C	S	.	.	H	α-helix	trans	-62.2	-35	177.7	0	0	0	0	0	112.9	R508 E509 R516	R508-G512 PolarHBondContact O-N 2.76Å; E509-G512 PolarHBondContact O-N 3.2Å; G512-R516 WeakPolarHBondContact O-CD 2.99Å; G512-R516 VanDerWaalsContact O-CG 3.26Å; G512-R516 WeakPolarHBondContact O-CG 3.33Å; G512-R516 PolarHBondContact O-N 2.98Å
513	F	87.4	Confident	88.8	Confident	132 Å²	132	56.7 Å²	56.7	58%	0.579	29%	0.289	S	S	*	.	H	α-helix	trans	-70	-48.6	173.6	-177.6	-104	0	0	0	111.7	E509 D510 Q511 L515 R516 M517	E509-F513 WeakPolarHBondContact O-CB 3.46Å; E509-F513 PolarHBondContact O-N 3.28Å; D510-F513 PolarHBondContact O-N 3.14Å; Q511-F513 VanDerWaalsContact C-N 3.28Å; Q511-F513 PolarHBondContact O-N 2.75Å; F513-L515 VanDerWaalsContact C-N 3.31Å; F513-L515 PolarHBondContact O-N 3.11Å; F513-R516 WeakPolarHBondContact O-CB 3.47Å; F513-R516 PolarHBondContact O-N 3.2Å; F513-R516 VanDerWaalsContact O-N 3.11Å; F513-M517 HydrophobicContact CE1-CG 4.3Å; F513-M517 HydrophobicContact CE1-SD 4.48Å; F513-M517 HydrophobicContact CZ-CG 4.44Å; F513-M517 HydrophobicContact CZ-SD 4.09Å; F513-M517 PolarHBondContact O-N 2.81Å
514	R	88.9	Confident	88.9	Confident	96 Å²	96	56.7 Å²	56.7	36%	0.362	29%	0.289	S	S	.	.	H	α-helix	trans	-59	-39.6	177.1	-70.6	-177.8	-156.8	-153.1	7	112.9	V500 D510 Q511 R516 M517	V500-R514 HydrophobicContact CG1-CB 3.82Å; V500-R514 HydrophobicContact CG2-CB 4.18Å; D510-R514 WeakPolarHBondContact O-CG 3.42Å; D510-R514 PolarHBondContact O-N 3.09Å; D510-R514 IonicContact OD1-NE 3.19Å; D510-R514 IonicContact OD1-NH2 2.94Å; D510-R514 IonicContact OD2-CZ 3.08Å; D510-R514 IonicContact OD2-NE 2.73Å; D510-R514 PolarHBondContact OD2-NE 3.27Å; D510-R514 IonicContact OD2-NH2 2.7Å; D510-R514 PolarHBondContact OD2-NH2 2.89Å; Q511-R514 PolarHBondContact O-N 3.13Å; R514-R516 VanDerWaalsContact C-N 3.3Å; R514-R516 PolarHBondContact O-N 2.7Å; R514-M517 PolarHBondContact O-N 2.73Å
515	L	87.1	Confident	89.4	Confident	21 Å²	21	55.8 Å²	55.8	11%	0.11	28%	0.276	C	S	.	.	H	α-helix	trans	-65.3	-32.6	177.5	-71.1	171.5	0	0	0	112.5	V500 V502 Q511 F513 M517 V532 L538	V500-L515 HydrophobicContact CG1-CD2 4.06Å; V500-L515 HydrophobicContact CG1-CG 4.42Å; V502-L515 HydrophobicContact CG2-CD1 4.36Å; V502-L515 HydrophobicContact CG2-CD2 3.94Å; Q511-L515 WeakPolarHBondContact O-CB 3.32Å; Q511-L515 VanDerWaalsContact O-CG 3.3Å; Q511-L515 WeakPolarHBondContact O-CG 3.3Å; Q511-L515 PolarHBondContact O-N 3.01Å; F513-L515 VanDerWaalsContact C-N 3.31Å; F513-L515 PolarHBondContact O-N 3.11Å; L515-M517 VanDerWaalsContact C-N 3.27Å; L515-M517 PolarHBondContact O-N 3.2Å; L515-V532 HydrophobicContact CD1-CG1 3.98Å; L515-L538 HydrophobicContact CD2-CD1 4.1Å; L515-L538 HydrophobicContact CD2-CD2 4.37Å
516	R	86.7	Confident	90	Very high	201 Å²	201	52.8 Å²	52.8	76%	0.758	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-10.2	175.3	-70.7	170.8	-174.8	-149.4	2.7	114.6	G512 F513 R514 G518	G512-R516 WeakPolarHBondContact O-CD 2.99Å; G512-R516 VanDerWaalsContact O-CG 3.26Å; G512-R516 WeakPolarHBondContact O-CG 3.33Å; G512-R516 PolarHBondContact O-N 2.98Å; F513-R516 WeakPolarHBondContact O-CB 3.47Å; F513-R516 PolarHBondContact O-N 3.2Å; F513-R516 VanDerWaalsContact O-N 3.11Å; R514-R516 VanDerWaalsContact C-N 3.3Å; R514-R516 PolarHBondContact O-N 2.7Å; R516-G518 VanDerWaalsContact C-N 3.31Å
517	M	87.8	Confident	90.5	Very high	115 Å²	115	52.3 Å²	52.3	57%	0.567	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	1.7	178.1	-66.8	-63.2	-59.8	0	0	113.2	R498 F513 R514 L515	R498-M517 PolarHBondContact NH1-O 3.17Å; F513-M517 HydrophobicContact CE1-CG 4.3Å; F513-M517 HydrophobicContact CE1-SD 4.48Å; F513-M517 HydrophobicContact CZ-CG 4.44Å; F513-M517 HydrophobicContact CZ-SD 4.09Å; F513-M517 PolarHBondContact O-N 2.81Å; R514-M517 PolarHBondContact O-N 2.73Å; L515-M517 VanDerWaalsContact C-N 3.27Å; L515-M517 PolarHBondContact O-N 3.2Å
518	G	87.9	Confident	90.9	Very high	5 Å²	5	50.4 Å²	50.4	5%	0.052	24%	0.235	C	C	.	.			trans	70	146.8	-173.7	0	0	0	0	0	113.3	D466 R498 R516	D466-G518 WeakPolarHBondContact OD1-CA 3.2Å; R498-G518 WeakPolarHBondContact CD-O 3.49Å; R498-G518 PolarHBondContact NE-O 3.27Å; R498-G518 PolarHBondContact NH1-O 3.04Å; R516-G518 VanDerWaalsContact C-N 3.31Å
519	C	92.3	Very high	91.5	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.02	21%	0.209	C	C	.	.			trans	-151.4	159.6	176	59.3	0	0	0	0	113.5	R498 V500 V522 R542	R498-C519 HydrophobicContact CB-CB 4.29Å; V500-C519 HydrophobicContact CB-CB 4.46Å; V500-C519 HydrophobicContact CG2-CB 3.79Å; C519-V522 VanDerWaalsContact SG-CG2 3.59Å; C519-R542 PolarHBondContact O-NH2 2.92Å; C519-R542 VanDerWaalsContact O-NH2 3.1Å
520	E	95.5	Very high	92.1	Very high	19 Å²	19	36.2 Å²	36.2	9%	0.089	18%	0.175	C	C	.	.	S	Bend	trans	-96.6	-34.5	176.1	-75.3	63.5	-118.5	0	0	111.3	I453 P469 Y470 A471 I497 R498 R542	I453-E520 HydrophobicContact CD1-CB 4.35Å; P469-E520 WeakPolarHBondContact CB-O 3.24Å; Y470-E520 HydrophobicContact CD2-CB 4.23Å; Y470-E520 HydrophobicContact CD2-CG 4.03Å; Y470-E520 HydrophobicContact CE2-CG 4.26Å; Y470-E520 PolarHBondContact N-O 3.16Å; A471-E520 PolarHBondContact N-O 3.39Å; I497-E520 HydrophobicContact CG2-CB 3.78Å; I497-E520 HydrophobicContact CG2-CG 4.35Å; R498-E520 WeakPolarHBondContact CB-OE2 3.45Å; R498-E520 WeakPolarHBondContact CG-OE2 3.19Å; R498-E520 IonicContact CZ-OE1 2.69Å; R498-E520 IonicContact CZ-OE2 3.44Å; R498-E520 PolarHBondContact N-OE2 3.22Å; R498-E520 IonicContact NE-OE1 3.29Å; R498-E520 PolarHBondContact NE-OE1 3.13Å; R498-E520 IonicContact NE-OE2 3.35Å; R498-E520 PolarHBondContact NE-OE2 3.41Å; R498-E520 IonicContact NH2-OE1 3.83Å; R498-E520 PolarHBondContact NH2-OE1 3.26Å; R498-E520 IonicContact NH2-OE2 2.7Å; R498-E520 PolarHBondContact O-N 2.97Å; E520-R542 IonicContact OE1-NH2 3.73Å
521	I	98	Very high	92.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	130.1	-177.3	-52	-179.4	0	0	0	110.2	L446 L449 A471 I473 T488 I497 R498 T499 V500 I523	L446-I521 HydrophobicContact CD2-CD1 4.49Å; L449-I521 HydrophobicContact CD2-CD1 3.83Å; L449-I521 HydrophobicContact CD2-CG1 4.19Å; A471-I521 HydrophobicContact CB-CG1 4.39Å; A471-I521 HydrophobicContact CB-CG2 4.38Å; I473-I521 HydrophobicContact CD1-CG2 3.71Å; T488-I521 HydrophobicContact CG2-CD1 3.79Å; T488-I521 HydrophobicContact CG2-CG2 4.3Å; I497-I521 HydrophobicContact CG2-CD1 3.83Å; I497-I521 HydrophobicContact CG2-CG1 4.04Å; R498-I521 PolarHBondContact O-N 2.76Å; R498-I521 VanDerWaalsContact O-N 3.1Å; T499-I521 VanDerWaalsContact CA-O 3.32Å; T499-I521 WeakPolarHBondContact CA-O 3.08Å; T499-I521 HydrophobicContact CG2-CB 4.39Å; T499-I521 HydrophobicContact CG2-CG2 4.44Å; V500-I521 PolarHBondContact N-O 3.12Å; I521-I523 HydrophobicContact CG2-CG1 4.28Å
522	V	97.9	Very high	92.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	133.6	168.4	166.7	0	0	0	0	109.8	P469 A471 I472 I473 V500 V502 C519 A524 L538	P469-V522 HydrophobicContact CB-CB 4.34Å; P469-V522 HydrophobicContact CB-CG2 3.96Å; P469-V522 HydrophobicContact CG-CB 4.16Å; P469-V522 HydrophobicContact CG-CG2 3.89Å; A471-V522 PolarHBondContact O-N 3.46Å; I472-V522 CarbonylContact C-O 3.57Å; I472-V522 WeakPolarHBondContact CA-O 3.49Å; I473-V522 PolarHBondContact N-O 3.44Å; V500-V522 WeakPolarHBondContact O-CA 3.07Å; V502-V522 HydrophobicContact CB-CG1 4.21Å; V502-V522 HydrophobicContact CG2-CG1 3.8Å; C519-V522 VanDerWaalsContact SG-CG2 3.59Å; V522-A524 HydrophobicContact CG1-CB 4.28Å; V522-L538 HydrophobicContact CB-CD2 4.5Å; V522-L538 HydrophobicContact CG1-CD2 4.21Å; V522-L538 HydrophobicContact CG2-CD2 3.97Å
523	I	98.1	Very high	93.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	127.2	175.3	-57.9	161.2	0	0	0	107.7	I473 A481 I484 E485 T488 T499 V500 A501 V502 I521	I473-I523 HydrophobicContact CB-CG1 4.22Å; I473-I523 HydrophobicContact CD1-CG1 3.94Å; I473-I523 CarbonylContact O-C 3.59Å; I473-I523 VanDerWaalsContact O-CA 3.31Å; I473-I523 WeakPolarHBondContact O-CA 3.31Å; A481-I523 HydrophobicContact CB-CG2 4.08Å; A481-I523 WeakPolarHBondContact O-CG2 3.02Å; I484-I523 HydrophobicContact CB-CG2 4.2Å; I484-I523 HydrophobicContact CG2-CD1 3.9Å; I484-I523 HydrophobicContact CG2-CG1 4.16Å; I484-I523 HydrophobicContact CG2-CG2 3.96Å; E485-I523 VanDerWaalsContact CA-CD1 3.46Å; E485-I523 HydrophobicContact CB-CD1 4.01Å; T488-I523 HydrophobicContact CG2-CD1 4.29Å; T499-I523 HydrophobicContact CG2-CD1 3.42Å; T499-I523 VanDerWaalsContact CG2-CD1 3.42Å; T499-I523 HydrophobicContact CG2-CG1 4.14Å; V500-I523 PolarHBondContact O-N 3.01Å; A501-I523 CarbonylContact C-O 3.59Å; A501-I523 VanDerWaalsContact CA-O 3.28Å; A501-I523 WeakPolarHBondContact CA-O 3.42Å; V502-I523 PolarHBondContact N-O 3.38Å; I521-I523 HydrophobicContact CG2-CG1 4.28Å
524	A	97.3	Very high	93.7	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	-147.9	160.4	-166.8	0	0	0	0	0	114.9	I473 L474 A475 V502 V522 L529	I473-A524 PolarHBondContact O-N 3.43Å; L474-A524 WeakPolarHBondContact CA-O 3.39Å; L474-A524 HydrophobicContact CD1-CB 4.09Å; A475-A524 PolarHBondContact N-O 2.94Å; V502-A524 HydrophobicContact CB-CB 3.97Å; V502-A524 WeakPolarHBondContact O-CA 3.43Å; V502-A524 WeakPolarHBondContact O-CB 3.41Å; V522-A524 HydrophobicContact CG1-CB 4.28Å; A524-L529 HydrophobicContact CB-CB 3.88Å; A524-L529 HydrophobicContact CB-CD1 4.24Å; A524-L529 HydrophobicContact CB-CD2 4.22Å; A524-L529 HydrophobicContact CB-CG 4.33Å
525	T	97.2	Very high	93.8	Very high	15 Å²	15	32.7 Å²	32.7	9%	0.092	16%	0.162	C	C	.	.			trans	-101.1	138.4	167	51.1	0	0	0	0	109.8	A475 A481 V502 I503 G527 R528 L529	A475-T525 WeakPolarHBondContact O-CA 3.47Å; A481-T525 HydrophobicContact CB-CG2 4.39Å; V502-T525 PolarHBondContact O-N 3.44Å; I503-T525 HydrophobicContact CB-CG2 4.43Å; I503-T525 HydrophobicContact CG2-CG2 4.2Å; T525-G527 PolarHBondContact O-N 3.34Å; T525-R528 PolarHBondContact O-N 3.2Å; T525-R528 WeakPolarHBondContact OG1-CB 3.43Å; T525-L529 PolarHBondContact O-N 2.94Å
526	P	96.9	Very high	94.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-45.6	-61.2	-171.3	-28.8	31.5	0	0	0	114.4	L474 A475 R528 L529 I530 M554 F559 D562 V563 I566	L474-P526 HydrophobicContact CD1-CG 4.46Å; L474-P526 HydrophobicContact CD2-CB 4.41Å; L474-P526 HydrophobicContact CD2-CG 3.92Å; L474-P526 HydrophobicContact CG-CG 4.01Å; A475-P526 WeakPolarHBondContact O-CD 3.46Å; P526-R528 PolarHBondContact O-N 3.3Å; P526-L529 PolarHBondContact O-N 2.92Å; P526-I530 WeakPolarHBondContact O-CG2 3.04Å; P526-I530 PolarHBondContact O-N 3.44Å; P526-I530 VanDerWaalsContact O-N 3.09Å; P526-M554 HydrophobicContact CG-SD 4.24Å; P526-F559 HydrophobicContact CB-CB 4.05Å; P526-F559 HydrophobicContact CB-CD1 4.13Å; P526-F559 HydrophobicContact CB-CD2 4.38Å; P526-F559 HydrophobicContact CB-CG 3.97Å; P526-F559 HydrophobicContact CG-CB 4.09Å; P526-F559 HydrophobicContact CG-CD2 3.97Å; P526-F559 HydrophobicContact CG-CG 4.01Å; P526-D562 HydrophobicContact CB-CB 4.03Å; P526-V563 HydrophobicContact CB-CG2 4.13Å; P526-V563 HydrophobicContact CG-CG2 3.99Å; P526-I566 HydrophobicContact CB-CD1 4.15Å
527	G	94.6	Very high	94.3	Very high	36 Å²	36	37.3 Å²	37.3	37%	0.371	18%	0.179	S	C	.	.	H	α-helix	trans	-63	-6.6	-179.9	0	0	0	0	0	116.2	T525	T525-G527 PolarHBondContact O-N 3.34Å
528	R	94.4	Very high	94.5	Very high	23 Å²	23	32.4 Å²	32.4	9%	0.087	16%	0.155	C	C	.	.	H	α-helix	trans	-105.1	-25.5	171.1	-174	58.5	-175	125.8	14.3	112.9	V502 T525 P526 D531 V532	V502-R528 HydrophobicContact CG1-CG 4.03Å; T525-R528 PolarHBondContact O-N 3.2Å; T525-R528 WeakPolarHBondContact OG1-CB 3.43Å; P526-R528 PolarHBondContact O-N 3.3Å; R528-D531 IonicContact CZ-OD2 2.78Å; R528-D531 IonicContact NH1-OD2 3.8Å; R528-D531 PolarHBondContact NH1-OD2 3.23Å; R528-V532 WeakPolarHBondContact O-CG2 3.48Å; R528-V532 PolarHBondContact O-N 3.45Å
529	L	96.4	Very high	94.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-74.1	-46	174.4	-175.6	58.8	0	0	0	111.2	I472 L474 A524 T525 P526 D531 V532 L533 L538 I566	I472-L529 HydrophobicContact CD1-CD2 4.34Å; I472-L529 HydrophobicContact CG2-CD2 3.81Å; L474-L529 HydrophobicContact CD1-CB 4.28Å; L474-L529 HydrophobicContact CD1-CD2 3.65Å; A524-L529 HydrophobicContact CB-CB 3.88Å; A524-L529 HydrophobicContact CB-CD1 4.24Å; A524-L529 HydrophobicContact CB-CD2 4.22Å; A524-L529 HydrophobicContact CB-CG 4.33Å; T525-L529 PolarHBondContact O-N 2.94Å; P526-L529 PolarHBondContact O-N 2.92Å; L529-D531 VanDerWaalsContact C-N 3.3Å; L529-D531 PolarHBondContact O-N 3Å; L529-V532 WeakPolarHBondContact O-CA 3.32Å; L529-V532 WeakPolarHBondContact O-CB 3.41Å; L529-V532 PolarHBondContact O-N 3.17Å; L529-L533 HydrophobicContact CD1-CD1 4.29Å; L529-L533 HydrophobicContact CD1-CG 4.24Å; L529-L533 HydrophobicContact CD2-CD1 4.42Å; L529-L533 HydrophobicContact CG-CD1 3.85Å; L529-L533 HydrophobicContact CG-CG 4.26Å; L529-L533 WeakPolarHBondContact O-CG 3.29Å; L529-L533 PolarHBondContact O-N 2.8Å; L529-L538 HydrophobicContact CD1-CD2 4.19Å; L529-I566 HydrophobicContact CB-CD1 4.15Å; L529-I566 HydrophobicContact CD2-CD1 4.25Å; L529-I566 HydrophobicContact CD2-CG1 4.44Å; L529-I566 HydrophobicContact CD2-CG2 3.86Å; L529-I566 HydrophobicContact CG-CD1 4.45Å
530	I	95.9	Very high	95.1	Very high	12 Å²	12	34.5 Å²	34.5	6%	0.062	17%	0.167	C	C	.	.	H	α-helix	trans	-55.2	-47.2	177.1	-165.4	169.1	0	0	0	111.2	P526 V532 L533 E534 D562 K565 I566	P526-I530 WeakPolarHBondContact O-CG2 3.04Å; P526-I530 PolarHBondContact O-N 3.44Å; P526-I530 VanDerWaalsContact O-N 3.09Å; I530-V532 PolarHBondContact O-N 3.4Å; I530-V532 VanDerWaalsContact O-N 3.13Å; I530-L533 PolarHBondContact O-N 2.81Å; I530-L533 VanDerWaalsContact O-N 3.12Å; I530-E534 HydrophobicContact CG1-CG 4.44Å; I530-E534 WeakPolarHBondContact O-CG 3.35Å; I530-E534 PolarHBondContact O-N 3.15Å; I530-D562 HydrophobicContact CD1-CB 4.23Å; I530-K565 HydrophobicContact CD1-CB 3.9Å; I530-K565 HydrophobicContact CD1-CD 3.83Å; I530-K565 HydrophobicContact CD1-CG 4.43Å; I530-K565 HydrophobicContact CG1-CD 4.15Å; I530-I566 HydrophobicContact CB-CD1 4.39Å; I530-I566 HydrophobicContact CB-CG1 4.16Å
531	D	92.8	Very high	95	Very high	43 Å²	43	37.2 Å²	37.2	23%	0.23	19%	0.188	C	C	.	.	H	α-helix	trans	-52.6	-31.3	173.3	-153.6	59.9	0	0	0	113.3	R508 R528 L529 N535	R508-D531 IonicContact CZ-OD2 3.74Å; R508-D531 IonicContact NH1-OD2 2.7Å; R508-D531 PolarHBondContact NH1-OD2 2.98Å; R508-D531 IonicContact NH2-OD1 3.34Å; R508-D531 IonicContact NH2-OD2 2.65Å; R508-D531 PolarHBondContact NH2-OD2 2.78Å; R528-D531 IonicContact CZ-OD2 2.78Å; R528-D531 IonicContact NH1-OD2 3.8Å; R528-D531 PolarHBondContact NH1-OD2 3.23Å; L529-D531 VanDerWaalsContact C-N 3.3Å; L529-D531 PolarHBondContact O-N 3Å; D531-N535 PolarHBondContact O-ND2 2.69Å
532	V	93.4	Very high	94.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-93.1	-29.9	-178.1	161.3	0	0	0	0	112.2	V502 L515 R528 L529 I530 R536 Y537 L538	V502-V532 HydrophobicContact CG1-CB 4.17Å; V502-V532 HydrophobicContact CG1-CG1 4.31Å; V502-V532 HydrophobicContact CG1-CG2 3.8Å; L515-V532 HydrophobicContact CD1-CG1 3.98Å; R528-V532 WeakPolarHBondContact O-CG2 3.48Å; R528-V532 PolarHBondContact O-N 3.45Å; L529-V532 WeakPolarHBondContact O-CA 3.32Å; L529-V532 WeakPolarHBondContact O-CB 3.41Å; L529-V532 PolarHBondContact O-N 3.17Å; I530-V532 PolarHBondContact O-N 3.4Å; I530-V532 VanDerWaalsContact O-N 3.13Å; V532-R536 PolarHBondContact O-N 3.05Å; V532-Y537 PolarHBondContact O-N 2.59Å; V532-L538 HydrophobicContact CG1-CB 3.51Å; V532-L538 HydrophobicContact CG1-CD2 4.48Å; V532-L538 PolarHBondContact O-N 3.18Å
533	L	94.5	Very high	94.8	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.016	19%	0.194	C	C	.	.	H	α-helix	trans	-77.1	-44.6	175.8	-66.9	171	0	0	0	112.2	L529 I530 N535 R536 L538 L540 I566 H569	L529-L533 HydrophobicContact CD1-CD1 4.29Å; L529-L533 HydrophobicContact CD1-CG 4.24Å; L529-L533 HydrophobicContact CD2-CD1 4.42Å; L529-L533 HydrophobicContact CG-CD1 3.85Å; L529-L533 HydrophobicContact CG-CG 4.26Å; L529-L533 WeakPolarHBondContact O-CG 3.29Å; L529-L533 PolarHBondContact O-N 2.8Å; I530-L533 PolarHBondContact O-N 2.81Å; I530-L533 VanDerWaalsContact O-N 3.12Å; L533-N535 PolarHBondContact O-N 2.92Å; L533-R536 PolarHBondContact O-N 2.81Å; L533-L538 HydrophobicContact CD2-CB 4.41Å; L533-L540 HydrophobicContact CD1-CD1 4.02Å; L533-L540 HydrophobicContact CD2-CD1 3.83Å; L533-L540 HydrophobicContact CD2-CD2 3.95Å; L533-L540 HydrophobicContact CD2-CG 3.67Å; L533-I566 HydrophobicContact CD1-CG1 4.35Å; L533-I566 HydrophobicContact CD1-CG2 4.44Å; L533-H569 HydrophobicContact CD1-CB 3.98Å
534	E	94.7	Very high	94.8	Very high	99 Å²	99	39.2 Å²	39.2	46%	0.463	20%	0.196	S	C	.	.	H	α-helix	trans	-61.6	-43.1	177.2	-71.3	-175.7	166.5	0	0	111.4	I530 R536 K565	I530-E534 HydrophobicContact CG1-CG 4.44Å; I530-E534 WeakPolarHBondContact O-CG 3.35Å; I530-E534 PolarHBondContact O-N 3.15Å; E534-R536 PolarHBondContact O-N 2.79Å; E534-K565 VanDerWaalsContact OE1-CD 3.29Å; E534-K565 WeakPolarHBondContact OE1-CD 3.31Å; E534-K565 IonicContact OE1-NZ 3.85Å; E534-K565 PolarHBondContact OE1-NZ 2.65Å
535	N	91.4	Very high	94.8	Very high	91 Å²	91	39.3 Å²	39.3	49%	0.487	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	6.4	175.6	-71.5	-79.6	0	0	0	114	D531 L533 Y537	D531-N535 PolarHBondContact O-ND2 2.69Å; L533-N535 PolarHBondContact O-N 2.92Å; N535-Y537 HydrophobicContact CB-CD2 3.53Å; N535-Y537 HydrophobicContact CB-CE2 3.51Å; N535-Y537 HydrophobicContact CB-CG 4.48Å; N535-Y537 PolarHBondContact O-N 3.47Å
536	R	91.8	Very high	94.9	Very high	180 Å²	180	39 Å²	39	68%	0.679	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	21.7	179.4	-59	-61.4	-159.4	169.5	5.7	115.7	V532 L533 E534 L538	V532-R536 PolarHBondContact O-N 3.05Å; L533-R536 PolarHBondContact O-N 2.81Å; E534-R536 PolarHBondContact O-N 2.79Å; R536-L538 PolarHBondContact O-N 2.9Å
537	Y	90.5	Very high	95	Very high	139 Å²	139	39 Å²	39	55%	0.545	20%	0.195	S	C	.	.	S	Bend	trans	-69.5	-16.2	171.2	-68.3	-58.4	0	0	0	112.6	V532 N535	V532-Y537 PolarHBondContact O-N 2.59Å; N535-Y537 HydrophobicContact CB-CD2 3.53Å; N535-Y537 HydrophobicContact CB-CE2 3.51Å; N535-Y537 HydrophobicContact CB-CG 4.48Å; N535-Y537 PolarHBondContact O-N 3.47Å
538	L	93.9	Very high	95.1	Very high	12 Å²	12	37.4 Å²	37.4	6%	0.063	18%	0.177	C	C	.	.			trans	-140.9	151.7	170.1	-169.6	58.1	0	0	0	109.7	L515 V522 L529 V532 L533 R536 L540	L515-L538 HydrophobicContact CD2-CD1 4.1Å; L515-L538 HydrophobicContact CD2-CD2 4.37Å; V522-L538 HydrophobicContact CB-CD2 4.5Å; V522-L538 HydrophobicContact CG1-CD2 4.21Å; V522-L538 HydrophobicContact CG2-CD2 3.97Å; L529-L538 HydrophobicContact CD1-CD2 4.19Å; V532-L538 HydrophobicContact CG1-CB 3.51Å; V532-L538 HydrophobicContact CG1-CD2 4.48Å; V532-L538 PolarHBondContact O-N 3.18Å; L533-L538 HydrophobicContact CD2-CB 4.41Å; R536-L538 PolarHBondContact O-N 2.9Å; L538-L540 HydrophobicContact CD2-CD2 4.37Å; L538-L540 HydrophobicContact CG-CD2 4.43Å
539	V	94.6	Very high	95.2	Very high	47 Å²	47	36.4 Å²	36.4	29%	0.285	17%	0.174	S	C	.	.			trans	-129.3	157.7	168.9	-64.9	0	0	0	0	109.6	G468	G468-V539 WeakPolarHBondContact CA-O 3.42Å
540	L	96.4	Very high	95	Very high	6 Å²	6	37.3 Å²	37.3	3%	0.031	18%	0.178	C	C	.	.			trans	-112.5	26	-172	-55.2	-179.5	0	0	0	112.4	P469 I472 L533 L538 R542 C543 H569 M570 P571	P469-L540 HydrophobicContact CG-CD2 4.32Å; I472-L540 HydrophobicContact CD1-CD1 3.58Å; I472-L540 HydrophobicContact CD1-CD2 3.43Å; I472-L540 VanDerWaalsContact CD1-CD2 3.43Å; I472-L540 HydrophobicContact CD1-CG 4.08Å; I472-L540 HydrophobicContact CG1-CD2 4.07Å; L533-L540 HydrophobicContact CD1-CD1 4.02Å; L533-L540 HydrophobicContact CD2-CD1 3.83Å; L533-L540 HydrophobicContact CD2-CD2 3.95Å; L533-L540 HydrophobicContact CD2-CG 3.67Å; L538-L540 HydrophobicContact CD2-CD2 4.37Å; L538-L540 HydrophobicContact CG-CD2 4.43Å; L540-R542 VanDerWaalsContact C-N 3.3Å; L540-R542 PolarHBondContact O-N 2.89Å; L540-C543 HydrophobicContact CB-CB 4.04Å; L540-C543 VanDerWaalsContact O-CB 3.29Å; L540-C543 WeakPolarHBondContact O-CB 3.14Å; L540-C543 PolarHBondContact O-N 3.36Å; L540-H569 HydrophobicContact CD1-CB 4.12Å; L540-M570 HydrophobicContact CB-SD 4.1Å; L540-M570 HydrophobicContact CD1-CG 4.24Å; L540-M570 HydrophobicContact CD1-SD 3.81Å; L540-P571 WeakPolarHBondContact O-CD 3.43Å
541	S	94.8	Very high	94.8	Very high	76 Å²	76	36.7 Å²	36.7	53%	0.531	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-36.8	-166.2	-49.7	0	0	0	0	113.9	Q467	Q467-S541 PolarHBondContact O-N 3.04Å
542	R	94.6	Very high	94.4	Very high	34 Å²	34	35.2 Å²	35.2	13%	0.128	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	15.7	176.8	69.5	177.1	179.3	175.1	4.7	114.5	Q467 G468 P469 Y470 C519 E520 L540 T544	Q467-R542 HydrophobicContact CB-CB 4.29Å; Q467-R542 HydrophobicContact CB-CG 3.9Å; G468-R542 VanDerWaalsContact O-CZ 3.28Å; G468-R542 PolarHBondContact O-NE 2.83Å; G468-R542 PolarHBondContact O-NH2 3.19Å; P469-R542 CarbonylContact O-C 3.58Å; Y470-R542 HydrophobicContact CD1-CB 4.39Å; Y470-R542 HydrophobicContact CD1-CG 4.03Å; Y470-R542 HydrophobicContact CE1-CB 4.42Å; Y470-R542 HydrophobicContact CE1-CG 4.18Å; Y470-R542 PolarHBondContact OH-NH1 2.86Å; C519-R542 PolarHBondContact O-NH2 2.92Å; C519-R542 VanDerWaalsContact O-NH2 3.1Å; E520-R542 IonicContact OE1-NH2 3.73Å; L540-R542 VanDerWaalsContact C-N 3.3Å; L540-R542 PolarHBondContact O-N 2.89Å; R542-T544 PolarHBondContact O-N 2.86Å
543	C	97.3	Very high	94.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.18	C	C	.	.			trans	-72.5	112.8	-176.3	-169.7	0	0	0	0	111.2	P469 L540 M570 N574	P469-C543 WeakPolarHBondContact O-CA 3.3Å; P469-C543 PolarHBondContact O-N 2.8Å; L540-C543 HydrophobicContact CB-CB 4.04Å; L540-C543 VanDerWaalsContact O-CB 3.29Å; L540-C543 WeakPolarHBondContact O-CB 3.14Å; L540-C543 PolarHBondContact O-N 3.36Å; C543-M570 HydrophobicContact CB-CE 3.78Å; C543-M570 HydrophobicContact CB-SD 3.82Å; C543-M570 WeakPolarHBondContact O-CE 3.42Å; C543-N574 PolarHBondContact O-ND2 3.45Å
544	T	96.9	Very high	94	Very high	8 Å²	8	38.6 Å²	38.6	5%	0.049	18%	0.18	C	C	.	.			trans	-125.1	10.5	-176.6	-169.3	0	0	0	0	112.6	W452 Y470 R542 K598 Y599 R600 Q601	W452-T544 HydrophobicContact CE3-CG2 4.3Å; W452-T544 HydrophobicContact CH2-CG2 3.34Å; W452-T544 HydrophobicContact CZ2-CG2 3.87Å; W452-T544 HydrophobicContact CZ3-CG2 3.59Å; Y470-T544 PolarHBondContact O-N 2.89Å; R542-T544 PolarHBondContact O-N 2.86Å; T544-K598 PolarHBondContact O-NZ 3.47Å; T544-K598 WeakPolarHBondContact OG1-CE 3.48Å; T544-K598 PolarHBondContact OG1-NZ 2.87Å; T544-K598 PolarHBondContact OG1-O 2.87Å; T544-Y599 PolarHBondContact OG1-O 3.27Å; T544-R600 WeakPolarHBondContact O-CA 3.34Å; T544-R600 WeakPolarHBondContact OG1-CA 3.49Å; T544-Q601 PolarHBondContact O-N 2.64Å
545	Y	98.6	Very high	93.8	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.008	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	124.7	174	-148.9	-67.4	0	0	0	110	F445 L449 Y470 A471 I472 V547 Q601 V603	F445-Y545 HydrophobicContact CB-CE1 4.42Å; F445-Y545 PolarHBondContact O-OH 1.95Å; F445-Y545 VanDerWaalsContact O-OH 3.05Å; L449-Y545 HydrophobicContact CB-CD2 3.87Å; L449-Y545 HydrophobicContact CB-CE2 3.81Å; L449-Y545 HydrophobicContact CB-CG 4.4Å; L449-Y545 HydrophobicContact CD1-CD2 3.75Å; L449-Y545 HydrophobicContact CD1-CG 3.94Å; L449-Y545 HydrophobicContact CG-CD2 4.32Å; Y470-Y545 PolarHBondContact O-N 3.15Å; Y470-Y545 VanDerWaalsContact O-N 3.14Å; A471-Y545 VanDerWaalsContact CA-O 3.28Å; A471-Y545 WeakPolarHBondContact CA-O 3.41Å; I472-Y545 PolarHBondContact N-O 2.94Å; Y545-V547 HydrophobicContact CD1-CG2 3.78Å; Y545-V547 HydrophobicContact CE1-CG2 3.61Å; Y545-Q601 WeakPolarHBondContact CA-O 3.3Å; Y545-Q601 HydrophobicContact CD1-CG 4.44Å; Y545-Q601 HydrophobicContact CD2-CG 3.41Å; Y545-Q601 VanDerWaalsContact CD2-CG 3.41Å; Y545-Q601 HydrophobicContact CE1-CG 4.45Å; Y545-Q601 HydrophobicContact CE2-CG 3.47Å; Y545-Q601 VanDerWaalsContact CE2-CG 3.47Å; Y545-Q601 HydrophobicContact CG-CG 3.93Å; Y545-V603 HydrophobicContact CE1-CG2 3.93Å
546	V	98.4	Very high	93.5	Very high	8 Å²	8	36.6 Å²	36.6	5%	0.048	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	125	-178	178.9	0	0	0	0	109.1	M570 Q601 T602 V603 Y620	V546-M570 HydrophobicContact CG2-CE 3.56Å; V546-M570 HydrophobicContact CG2-SD 4.14Å; V546-Q601 PolarHBondContact N-O 3.44Å; V546-T602 HydrophobicContact CB-CG2 4.08Å; V546-T602 HydrophobicContact CG1-CG2 4.13Å; V546-T602 CarbonylContact O-C 3.57Å; V546-T602 WeakPolarHBondContact O-CA 3.46Å; V546-V603 PolarHBondContact O-N 2.8Å; V546-Y620 HydrophobicContact CG1-CD1 3.98Å; V546-Y620 HydrophobicContact CG1-CE1 3.77Å
547	V	98.4	Very high	93.5	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	133.5	175.4	-172	0	0	0	0	110.5	F445 I472 I473 L474 Y545 V603 F605	F445-V547 HydrophobicContact CB-CG2 4.3Å; F445-V547 HydrophobicContact CD1-CG1 4.02Å; F445-V547 HydrophobicContact CD2-CG1 4.34Å; F445-V547 HydrophobicContact CD2-CG2 3.85Å; F445-V547 HydrophobicContact CE1-CG1 3.96Å; F445-V547 HydrophobicContact CE2-CG1 4.36Å; F445-V547 HydrophobicContact CE2-CG2 4.3Å; F445-V547 HydrophobicContact CG-CG1 4.17Å; F445-V547 HydrophobicContact CG-CG2 4.1Å; F445-V547 HydrophobicContact CZ-CG1 4.15Å; I472-V547 PolarHBondContact O-N 2.37Å; I473-V547 HydrophobicContact CB-CB 4.29Å; I473-V547 HydrophobicContact CG1-CB 4.09Å; I473-V547 HydrophobicContact CG1-CG2 4.05Å; I473-V547 HydrophobicContact CG2-CB 4.08Å; I473-V547 HydrophobicContact CG2-CG1 4.23Å; L474-V547 WeakPolarHBondContact CB-O 2.95Å; L474-V547 PolarHBondContact N-O 2.77Å; Y545-V547 HydrophobicContact CD1-CG2 3.78Å; Y545-V547 HydrophobicContact CE1-CG2 3.61Å; V547-V603 CarbonylContact C-O 3.54Å; V547-V603 VanDerWaalsContact CA-O 3.28Å; V547-V603 WeakPolarHBondContact CA-O 3.38Å; V547-V603 HydrophobicContact CG2-CB 4.41Å; V547-F605 HydrophobicContact CG1-CD2 4.3Å
548	L	97.8	Very high	93.5	Very high	1 Å²	1	28 Å²	28	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	103.8	167.7	-56.7	177.1	0	0	0	107.4	L474 A551 M554 V563 V603 M604 F605 Y620	L474-L548 HydrophobicContact CB-CD2 3.87Å; L474-L548 HydrophobicContact CD2-CD2 3.71Å; L474-L548 HydrophobicContact CG-CD2 4.43Å; L548-A551 HydrophobicContact CB-CB 4.29Å; L548-M554 HydrophobicContact CB-CE 4.34Å; L548-M554 HydrophobicContact CD2-CE 4.45Å; L548-M554 HydrophobicContact CD2-SD 4.5Å; L548-V563 HydrophobicContact CD1-CG1 4.37Å; L548-V563 HydrophobicContact CD2-CG1 4.23Å; L548-V603 PolarHBondContact N-O 2.79Å; L548-M604 HydrophobicContact CD1-CE 3.79Å; L548-M604 CarbonylContact O-C 3.57Å; L548-M604 WeakPolarHBondContact O-CA 3.46Å; L548-F605 PolarHBondContact O-N 2.92Å; L548-Y620 HydrophobicContact CD1-CD1 3.94Å; L548-Y620 HydrophobicContact CD1-CD2 4.06Å; L548-Y620 HydrophobicContact CD1-CE1 3.99Å; L548-Y620 HydrophobicContact CD1-CE2 4.14Å; L548-Y620 HydrophobicContact CD1-CG 3.97Å; L548-Y620 HydrophobicContact CD2-CE1 4.15Å; L548-Y620 HydrophobicContact CG-CD1 4.48Å; L548-Y620 HydrophobicContact CG-CE1 4.32Å
549	D	96	Very high	93.6	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.011	16%	0.163	C	C	.	.	S	Bend	trans	-102.4	139.6	177.5	-167	16.3	0	0	0	112	K441 L474 P476 I484 M554 F605	K441-D549 WeakPolarHBondContact CE-OD1 3.45Å; K441-D549 IonicContact NZ-OD1 3.08Å; K441-D549 PolarHBondContact NZ-OD1 2.82Å; K441-D549 IonicContact NZ-OD2 3.91Å; L474-D549 PolarHBondContact O-N 2.85Å; P476-D549 WeakPolarHBondContact CD-O 3.41Å; I484-D549 HydrophobicContact CD1-CB 4.44Å; D549-M554 WeakPolarHBondContact O-CE 3.36Å; D549-F605 HydrophobicContact CB-CB 4.47Å; D549-F605 WeakPolarHBondContact OD1-CB 3.29Å
550	E	92.3	Very high	93.5	Very high	19 Å²	19	28.6 Å²	28.6	9%	0.089	16%	0.156	C	C	.	.	S	Bend	trans	50.5	53.7	-165.5	-62.5	-170.5	170.4	0	0	111.7	T437 P476 L480 D552 R553 M554 F605	T437-E550 WeakPolarHBondContact CB-OE1 3.41Å; T437-E550 WeakPolarHBondContact CG2-OE1 3.33Å; T437-E550 PolarHBondContact OG1-OE1 3.41Å; P476-E550 HydrophobicContact CG-CB 3.79Å; L480-E550 HydrophobicContact CD2-CB 4.13Å; L480-E550 HydrophobicContact CD2-CG 3.78Å; E550-D552 VanDerWaalsContact C-N 3.32Å; E550-D552 PolarHBondContact O-N 2.78Å; E550-R553 HydrophobicContact CB-CB 4Å; E550-R553 WeakPolarHBondContact O-CB 3.25Å; E550-R553 PolarHBondContact O-N 3.01Å; E550-R553 VanDerWaalsContact O-N 3.15Å; E550-R553 WeakPolarHBondContact OE2-CD 3.48Å; E550-R553 IonicContact OE2-CZ 2.77Å; E550-R553 IonicContact OE2-NE 3.19Å; E550-R553 IonicContact OE2-NH1 2.71Å; E550-R553 PolarHBondContact OE2-NH1 3.32Å; E550-M554 PolarHBondContact O-N 2.9Å; E550-F605 PolarHBondContact N-O 3.27Å; E550-F605 VanDerWaalsContact N-O 3.09Å
551	A	91	Very high	93.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-65.7	-29.5	-177	0	0	0	0	0	113.8	L548 M554 I555 M604 F605	L548-A551 HydrophobicContact CB-CB 4.29Å; A551-M554 WeakPolarHBondContact O-CB 3.33Å; A551-M554 PolarHBondContact O-N 3.26Å; A551-I555 PolarHBondContact O-N 3.22Å; A551-M604 HydrophobicContact CB-CE 4.4Å; A551-M604 HydrophobicContact CB-CG 3.8Å; A551-M604 HydrophobicContact CB-SD 4.26Å; A551-F605 PolarHBondContact N-O 2.63Å
552	D	85.7	Confident	93.5	Very high	12 Å²	12	30.8 Å²	30.8	6%	0.064	17%	0.167	C	C	.	.	H	α-helix	trans	-60.6	-50.7	167.1	43.1	5.3	0	0	0	111.5	E550 M554 I555 D556 T606 A607 T608 V613	E550-D552 VanDerWaalsContact C-N 3.32Å; E550-D552 PolarHBondContact O-N 2.78Å; D552-M554 PolarHBondContact O-N 2.74Å; D552-I555 WeakPolarHBondContact O-CA 3.44Å; D552-I555 VanDerWaalsContact O-CB 3.27Å; D552-I555 WeakPolarHBondContact O-CB 3.35Å; D552-I555 PolarHBondContact O-N 3.49Å; D552-D556 PolarHBondContact O-N 2.85Å; D552-T606 WeakPolarHBondContact CB-OG1 3.42Å; D552-T606 PolarHBondContact N-OG1 2.96Å; D552-T606 PolarHBondContact OD1-OG1 2.63Å; D552-T606 PolarHBondContact OD2-OG1 2.77Å; D552-T606 VanDerWaalsContact OD2-OG1 3.09Å; D552-A607 WeakPolarHBondContact OD2-CA 3.02Å; D552-A607 WeakPolarHBondContact OD2-CB 3.17Å; D552-A607 PolarHBondContact OD2-N 3.32Å; D552-T608 WeakPolarHBondContact CB-OG1 3.15Å; D552-T608 PolarHBondContact OD2-N 3.14Å; D552-T608 PolarHBondContact OD2-OG1 3.4Å; D552-V613 VanDerWaalsContact CA-CG2 3.5Å; D552-V613 HydrophobicContact CB-CG2 3.98Å
553	R	86.7	Confident	93.6	Very high	74 Å²	74	29.2 Å²	29.2	28%	0.279	16%	0.161	S	C	.	.	H	α-helix	trans	-62.9	-23.9	176.8	-169.4	-179.4	-179.6	-165.7	-1.5	113.6	P476 E550 D556 M557	P476-R553 HydrophobicContact CB-CB 4.39Å; P476-R553 HydrophobicContact CB-CG 4.18Å; P476-R553 HydrophobicContact CG-CB 4.06Å; P476-R553 HydrophobicContact CG-CG 4.03Å; E550-R553 HydrophobicContact CB-CB 4Å; E550-R553 WeakPolarHBondContact O-CB 3.25Å; E550-R553 PolarHBondContact O-N 3.01Å; E550-R553 VanDerWaalsContact O-N 3.15Å; E550-R553 WeakPolarHBondContact OE2-CD 3.48Å; E550-R553 IonicContact OE2-CZ 2.77Å; E550-R553 IonicContact OE2-NE 3.19Å; E550-R553 IonicContact OE2-NH1 2.71Å; E550-R553 PolarHBondContact OE2-NH1 3.32Å; R553-D556 WeakPolarHBondContact CA-OD2 3.43Å; R553-M557 HydrophobicContact CG-SD 4.47Å; R553-M557 WeakPolarHBondContact O-CB 3.37Å; R553-M557 VanDerWaalsContact O-CG 3.31Å; R553-M557 WeakPolarHBondContact O-CG 3.49Å; R553-M557 PolarHBondContact O-N 3.16Å
554	M	92.7	Very high	93.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-66.1	-40	168.2	-64.1	-172.7	-166.8	0	0	112.1	L474 P476 P526 L548 D549 E550 A551 D552 G558 F559 V563	L474-M554 VanDerWaalsContact C-CE 3.48Å; L474-M554 HydrophobicContact CB-CE 4Å; L474-M554 HydrophobicContact CD2-CE 4.31Å; L474-M554 HydrophobicContact CD2-SD 4.24Å; L474-M554 HydrophobicContact CG-CE 4.1Å; L474-M554 WeakPolarHBondContact O-CE 3.48Å; P476-M554 HydrophobicContact CB-CG 3.87Å; P476-M554 HydrophobicContact CG-CG 4.37Å; P526-M554 HydrophobicContact CG-SD 4.24Å; L548-M554 HydrophobicContact CB-CE 4.34Å; L548-M554 HydrophobicContact CD2-CE 4.45Å; L548-M554 HydrophobicContact CD2-SD 4.5Å; D549-M554 WeakPolarHBondContact O-CE 3.36Å; E550-M554 PolarHBondContact O-N 2.9Å; A551-M554 WeakPolarHBondContact O-CB 3.33Å; A551-M554 PolarHBondContact O-N 3.26Å; D552-M554 PolarHBondContact O-N 2.74Å; M554-G558 PolarHBondContact O-N 2.89Å; M554-F559 HydrophobicContact CB-CB 4.44Å; M554-F559 WeakPolarHBondContact O-CB 3.36Å; M554-F559 PolarHBondContact O-N 3.17Å; M554-V563 HydrophobicContact SD-CG2 3.79Å
555	I	89.1	Confident	93.4	Very high	32 Å²	32	36.1 Å²	36.1	16%	0.164	19%	0.192	C	C	.	.	H	α-helix	trans	-64.4	-46.8	173.6	-58.9	-56	0	0	0	110.3	A551 D552 M557 G558 E560 A612 V613 L616	A551-I555 PolarHBondContact O-N 3.22Å; D552-I555 WeakPolarHBondContact O-CA 3.44Å; D552-I555 VanDerWaalsContact O-CB 3.27Å; D552-I555 WeakPolarHBondContact O-CB 3.35Å; D552-I555 PolarHBondContact O-N 3.49Å; I555-M557 PolarHBondContact O-N 3.38Å; I555-G558 WeakPolarHBondContact O-CA 3.49Å; I555-G558 PolarHBondContact O-N 2.65Å; I555-E560 HydrophobicContact CD1-CB 3.7Å; I555-E560 HydrophobicContact CD1-CG 3.68Å; I555-A612 HydrophobicContact CB-CB 4.32Å; I555-A612 HydrophobicContact CD1-CB 3.82Å; I555-A612 HydrophobicContact CG1-CB 3.81Å; I555-A612 HydrophobicContact CG2-CB 3.56Å; I555-V613 HydrophobicContact CG1-CG2 3.92Å; I555-L616 HydrophobicContact CD1-CD1 3.61Å; I555-L616 HydrophobicContact CD1-CG 4.13Å; I555-L616 HydrophobicContact CG1-CD1 4.39Å
556	D	86.9	Confident	93.3	Very high	115 Å²	115	36.4 Å²	36.4	62%	0.615	19%	0.193	S	C	*	.	H	α-helix	trans	-61.5	-31.3	-177.9	-57.3	-33.7	0	0	0	112.7	D552 R553 G558	D552-D556 PolarHBondContact O-N 2.85Å; R553-D556 WeakPolarHBondContact CA-OD2 3.43Å; D556-G558 VanDerWaalsContact C-N 3.28Å
557	M	89.9	Confident	93.2	Very high	92 Å²	92	37.4 Å²	37.4	45%	0.453	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-0.3	174.4	-68.4	-177.4	67.4	0	0	113.7	P476 T477 R553 I555 F559	P476-M557 HydrophobicContact CB-SD 3.92Å; T477-M557 HydrophobicContact CG2-CE 4.23Å; T477-M557 HydrophobicContact CG2-SD 3.78Å; R553-M557 HydrophobicContact CG-SD 4.47Å; R553-M557 WeakPolarHBondContact O-CB 3.37Å; R553-M557 VanDerWaalsContact O-CG 3.31Å; R553-M557 WeakPolarHBondContact O-CG 3.49Å; R553-M557 PolarHBondContact O-N 3.16Å; I555-M557 PolarHBondContact O-N 3.38Å; M557-F559 HydrophobicContact CB-CD2 3.74Å; M557-F559 HydrophobicContact CB-CE2 3.73Å; M557-F559 HydrophobicContact CE-CE2 3.7Å; M557-F559 HydrophobicContact CE-CZ 4.12Å; M557-F559 HydrophobicContact SD-CE2 4.15Å
558	G	92	Very high	93.1	Very high	46 Å²	46	44.6 Å²	44.6	47%	0.474	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.1	7.1	177.2	0	0	0	0	0	115.4	M554 I555 D556 E560 P561	M554-G558 PolarHBondContact O-N 2.89Å; I555-G558 WeakPolarHBondContact O-CA 3.49Å; I555-G558 PolarHBondContact O-N 2.65Å; D556-G558 VanDerWaalsContact C-N 3.28Å; G558-E560 PolarHBondContact O-N 3.16Å; G558-E560 VanDerWaalsContact O-N 3.15Å; G558-P561 WeakPolarHBondContact O-CD 3.35Å
559	F	95.9	Very high	93.1	Very high	42 Å²	42	47.3 Å²	47.3	18%	0.184	24%	0.244	C	C	.	.			trans	-77.3	9.2	-174.5	-63.6	-52.4	0	0	0	114.9	P476 P526 M554 M557 P561 D562 V563	P476-F559 WeakPolarHBondContact O-CE2 3.27Å; P526-F559 HydrophobicContact CB-CB 4.05Å; P526-F559 HydrophobicContact CB-CD1 4.13Å; P526-F559 HydrophobicContact CB-CD2 4.38Å; P526-F559 HydrophobicContact CB-CG 3.97Å; P526-F559 HydrophobicContact CG-CB 4.09Å; P526-F559 HydrophobicContact CG-CD2 3.97Å; P526-F559 HydrophobicContact CG-CG 4.01Å; M554-F559 HydrophobicContact CB-CB 4.44Å; M554-F559 WeakPolarHBondContact O-CB 3.36Å; M554-F559 PolarHBondContact O-N 3.17Å; M557-F559 HydrophobicContact CB-CD2 3.74Å; M557-F559 HydrophobicContact CB-CE2 3.73Å; M557-F559 HydrophobicContact CE-CE2 3.7Å; M557-F559 HydrophobicContact CE-CZ 4.12Å; M557-F559 HydrophobicContact SD-CE2 4.15Å; F559-P561 VanDerWaalsContact C-CD 3.47Å; F559-P561 VanDerWaalsContact C-N 3.33Å; F559-D562 HydrophobicContact CB-CB 4.45Å; F559-D562 HydrophobicContact CD1-CB 4.48Å; F559-D562 PolarHBondContact O-N 3.11Å; F559-V563 HydrophobicContact CB-CG2 4.26Å; F559-V563 WeakPolarHBondContact O-CB 3.29Å; F559-V563 VanDerWaalsContact O-CG2 3.24Å; F559-V563 WeakPolarHBondContact O-CG2 3.43Å; F559-V563 PolarHBondContact O-N 3.24Å
560	E	92.5	Very high	93.1	Very high	30 Å²	30	47.6 Å²	47.6	14%	0.14	25%	0.245	C	C	.	.	H	α-helix	trans	-52.8	-44	177.6	-163.1	-177.8	162.7	0	0	112.9	I555 G558 Q564 R615 L616	I555-E560 HydrophobicContact CD1-CB 3.7Å; I555-E560 HydrophobicContact CD1-CG 3.68Å; G558-E560 PolarHBondContact O-N 3.16Å; G558-E560 VanDerWaalsContact O-N 3.15Å; E560-Q564 WeakPolarHBondContact O-CB 3.47Å; E560-Q564 VanDerWaalsContact O-CG 3.23Å; E560-Q564 WeakPolarHBondContact O-CG 3.42Å; E560-Q564 PolarHBondContact O-N 3.3Å; E560-Q564 PolarHBondContact OE1-NE2 2.82Å; E560-R615 VanDerWaalsContact CD-NH2 3.29Å; E560-R615 IonicContact OE1-CZ 3.33Å; E560-R615 IonicContact OE1-NE 3.74Å; E560-R615 PolarHBondContact OE1-NE 2.71Å; E560-R615 IonicContact OE1-NH2 3.74Å; E560-R615 PolarHBondContact OE1-NH2 3.46Å; E560-R615 IonicContact OE2-CZ 3.19Å; E560-R615 IonicContact OE2-NE 2.61Å; E560-R615 IonicContact OE2-NH2 2.74Å; E560-R615 PolarHBondContact OE2-NH2 3.06Å; E560-L616 HydrophobicContact CG-CD2 4.14Å; E560-L616 HydrophobicContact CG-CG 4.43Å
561	P	95.4	Very high	93.3	Very high	84 Å²	84	48.4 Å²	48.4	55%	0.545	25%	0.252	S	S	.	.	H	α-helix	trans	-70.1	-38.2	177.4	-17.3	33.2	0	0	0	113.2	G558 F559 Q564 K565	G558-P561 WeakPolarHBondContact O-CD 3.35Å; F559-P561 VanDerWaalsContact C-CD 3.47Å; F559-P561 VanDerWaalsContact C-N 3.33Å; P561-Q564 PolarHBondContact O-N 2.91Å; P561-K565 PolarHBondContact O-N 3.02Å
562	D	96.3	Very high	93.5	Very high	45 Å²	45	54.3 Å²	54.3	24%	0.241	29%	0.288	C	S	.	.	H	α-helix	trans	-63.8	-45.1	177.8	-59.4	-93.4	0	0	0	111.3	P526 I530 F559 K565 I566	P526-D562 HydrophobicContact CB-CB 4.03Å; I530-D562 HydrophobicContact CD1-CB 4.23Å; F559-D562 HydrophobicContact CB-CB 4.45Å; F559-D562 HydrophobicContact CD1-CB 4.48Å; F559-D562 PolarHBondContact O-N 3.11Å; D562-K565 PolarHBondContact O-N 3.21Å; D562-I566 WeakPolarHBondContact O-CD1 3.48Å; D562-I566 WeakPolarHBondContact O-CG1 3.32Å; D562-I566 PolarHBondContact O-N 3.15Å
563	V	95.9	Very high	93.9	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-63.7	-42.1	176.4	175.3	0	0	0	0	110	L474 P526 L548 M554 F559 I566 L567 L616 Y620	L474-V563 HydrophobicContact CD2-CG2 3.97Å; P526-V563 HydrophobicContact CB-CG2 4.13Å; P526-V563 HydrophobicContact CG-CG2 3.99Å; L548-V563 HydrophobicContact CD1-CG1 4.37Å; L548-V563 HydrophobicContact CD2-CG1 4.23Å; M554-V563 HydrophobicContact SD-CG2 3.79Å; F559-V563 HydrophobicContact CB-CG2 4.26Å; F559-V563 WeakPolarHBondContact O-CB 3.29Å; F559-V563 VanDerWaalsContact O-CG2 3.24Å; F559-V563 WeakPolarHBondContact O-CG2 3.43Å; F559-V563 PolarHBondContact O-N 3.24Å; V563-I566 PolarHBondContact O-N 3.02Å; V563-L567 PolarHBondContact O-N 2.86Å; V563-L616 HydrophobicContact CB-CD2 4.38Å; V563-L616 HydrophobicContact CG1-CD1 4.19Å; V563-L616 HydrophobicContact CG1-CD2 3.85Å; V563-Y620 HydrophobicContact CG1-CE2 3.66Å; V563-Y620 WeakPolarHBondContact CG1-OH 3.03Å; V563-Y620 PolarHBondContact O-OH 3.39Å
564	Q	94.6	Very high	94.4	Very high	76 Å²	76	56.7 Å²	56.7	36%	0.355	32%	0.315	S	S	.	.	H	α-helix	trans	-59.3	-47.9	173.3	-74.7	172.1	13.4	0	0	112.4	E560 P561 I566 L567 E568 L616	E560-Q564 WeakPolarHBondContact O-CB 3.47Å; E560-Q564 VanDerWaalsContact O-CG 3.23Å; E560-Q564 WeakPolarHBondContact O-CG 3.42Å; E560-Q564 PolarHBondContact O-N 3.3Å; E560-Q564 PolarHBondContact OE1-NE2 2.82Å; P561-Q564 PolarHBondContact O-N 2.91Å; Q564-I566 VanDerWaalsContact C-N 3.33Å; Q564-I566 PolarHBondContact O-N 3.15Å; Q564-L567 VanDerWaalsContact O-CB 3.29Å; Q564-L567 WeakPolarHBondContact O-CB 3.45Å; Q564-L567 PolarHBondContact O-N 2.86Å; Q564-L567 VanDerWaalsContact O-N 3.09Å; Q564-E568 PolarHBondContact O-N 2.77Å; Q564-L616 HydrophobicContact CG-CD2 4.23Å
565	K	96.3	Very high	94.6	Very high	78 Å²	78	57.9 Å²	57.9	34%	0.339	32%	0.32	S	S	.	.	H	α-helix	trans	-66.7	-32.3	178.4	-154.6	-162.9	-61.3	163.6	0	113	I530 E534 P561 D562 L567 E568 H569	I530-K565 HydrophobicContact CD1-CB 3.9Å; I530-K565 HydrophobicContact CD1-CD 3.83Å; I530-K565 HydrophobicContact CD1-CG 4.43Å; I530-K565 HydrophobicContact CG1-CD 4.15Å; E534-K565 VanDerWaalsContact OE1-CD 3.29Å; E534-K565 WeakPolarHBondContact OE1-CD 3.31Å; E534-K565 IonicContact OE1-NZ 3.85Å; E534-K565 PolarHBondContact OE1-NZ 2.65Å; P561-K565 PolarHBondContact O-N 3.02Å; D562-K565 PolarHBondContact O-N 3.21Å; K565-L567 PolarHBondContact O-N 2.96Å; K565-E568 WeakPolarHBondContact O-CB 3.4Å; K565-E568 PolarHBondContact O-N 2.74Å; K565-E568 VanDerWaalsContact O-N 3.15Å; K565-H569 PolarHBondContact O-CD2 3.5Å; K565-H569 VanDerWaalsContact O-CD2 3.31Å
566	I	96.6	Very high	95	Very high	7 Å²	7	56.7 Å²	56.7	4%	0.036	31%	0.314	C	S	.	.	H	α-helix	trans	-61.4	-34.2	172.6	-72.1	161	0	0	0	111.3	L474 P526 L529 I530 L533 D562 V563 Q564 E568 H569	L474-I566 HydrophobicContact CD1-CD1 4.38Å; L474-I566 HydrophobicContact CD2-CD1 4.16Å; P526-I566 HydrophobicContact CB-CD1 4.15Å; L529-I566 HydrophobicContact CB-CD1 4.15Å; L529-I566 HydrophobicContact CD2-CD1 4.25Å; L529-I566 HydrophobicContact CD2-CG1 4.44Å; L529-I566 HydrophobicContact CD2-CG2 3.86Å; L529-I566 HydrophobicContact CG-CD1 4.45Å; I530-I566 HydrophobicContact CB-CD1 4.39Å; I530-I566 HydrophobicContact CB-CG1 4.16Å; L533-I566 HydrophobicContact CD1-CG1 4.35Å; L533-I566 HydrophobicContact CD1-CG2 4.44Å; D562-I566 WeakPolarHBondContact O-CD1 3.48Å; D562-I566 WeakPolarHBondContact O-CG1 3.32Å; D562-I566 PolarHBondContact O-N 3.15Å; V563-I566 PolarHBondContact O-N 3.02Å; Q564-I566 VanDerWaalsContact C-N 3.33Å; Q564-I566 PolarHBondContact O-N 3.15Å; I566-E568 VanDerWaalsContact C-N 3.34Å; I566-H569 PolarHBondContact O-N 2.8Å
567	L	96.1	Very high	95.5	Very high	30 Å²	30	53.5 Å²	53.5	16%	0.157	30%	0.299	C	S	.	.	H	α-helix	trans	-66.4	-34.2	174.7	-173.7	60.6	0	0	0	112.6	V563 Q564 K565 H569 M570 Y620	V563-L567 PolarHBondContact O-N 2.86Å; Q564-L567 VanDerWaalsContact O-CB 3.29Å; Q564-L567 WeakPolarHBondContact O-CB 3.45Å; Q564-L567 PolarHBondContact O-N 2.86Å; Q564-L567 VanDerWaalsContact O-N 3.09Å; K565-L567 PolarHBondContact O-N 2.96Å; L567-H569 PolarHBondContact O-N 3.02Å; L567-M570 WeakPolarHBondContact O-CB 3.44Å; L567-M570 PolarHBondContact O-N 2.75Å; L567-M570 VanDerWaalsContact O-N 3.09Å; L567-Y620 HydrophobicContact CB-CE1 4.42Å; L567-Y620 HydrophobicContact CB-CE2 3.91Å; L567-Y620 HydrophobicContact CD1-CD1 3.92Å; L567-Y620 HydrophobicContact CD1-CD2 4.44Å; L567-Y620 HydrophobicContact CD1-CE1 3.82Å; L567-Y620 HydrophobicContact CD1-CE2 4.33Å; L567-Y620 HydrophobicContact CD1-CG 4.24Å; L567-Y620 HydrophobicContact CD2-CD2 3.83Å; L567-Y620 HydrophobicContact CD2-CE2 3.89Å; L567-Y620 HydrophobicContact CD2-CG 4.26Å; L567-Y620 HydrophobicContact CG-CE2 4.26Å
568	E	96.1	Very high	95.7	Very high	151 Å²	151	54.6 Å²	54.6	71%	0.706	31%	0.307	S	S	*	.	H	α-helix	trans	-66.1	-24.6	179	-61.9	171.5	178.5	0	0	112.8	Q564 K565 I566 M570	Q564-E568 PolarHBondContact O-N 2.77Å; K565-E568 WeakPolarHBondContact O-CB 3.4Å; K565-E568 PolarHBondContact O-N 2.74Å; K565-E568 VanDerWaalsContact O-N 3.15Å; I566-E568 VanDerWaalsContact C-N 3.34Å; E568-M570 VanDerWaalsContact C-N 3.34Å
569	H	96.6	Very high	95.9	Very high	58 Å²	58	55 Å²	55	27%	0.269	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-9	173.6	-72.7	-75.1	0	0	0	114.4	L533 L540 K565 I566 L567	L533-H569 HydrophobicContact CD1-CB 3.98Å; L540-H569 HydrophobicContact CD1-CB 4.12Å; K565-H569 PolarHBondContact O-CD2 3.5Å; K565-H569 VanDerWaalsContact O-CD2 3.31Å; I566-H569 PolarHBondContact O-N 2.8Å; L567-H569 PolarHBondContact O-N 3.02Å
570	M	96.4	Very high	95.5	Very high	8 Å²	8	58.3 Å²	58.3	4%	0.039	32%	0.32	C	S	.	.	S	Bend	trans	-81.3	140.9	176.5	-72.7	-73.7	-60	0	0	111.2	I472 L540 C543 V546 L567 E568 V572	I472-M570 HydrophobicContact CD1-SD 4.24Å; L540-M570 HydrophobicContact CB-SD 4.1Å; L540-M570 HydrophobicContact CD1-CG 4.24Å; L540-M570 HydrophobicContact CD1-SD 3.81Å; C543-M570 HydrophobicContact CB-CE 3.78Å; C543-M570 HydrophobicContact CB-SD 3.82Å; C543-M570 WeakPolarHBondContact O-CE 3.42Å; V546-M570 HydrophobicContact CG2-CE 3.56Å; V546-M570 HydrophobicContact CG2-SD 4.14Å; L567-M570 WeakPolarHBondContact O-CB 3.44Å; L567-M570 PolarHBondContact O-N 2.75Å; L567-M570 VanDerWaalsContact O-N 3.09Å; E568-M570 VanDerWaalsContact C-N 3.34Å; M570-V572 PolarHBondContact O-N 2.84Å
571	P	95.9	Very high	95.6	Very high	36 Å²	36	60.9 Å²	60.9	23%	0.234	33%	0.332	C	S	.	.			trans	-54.1	123.6	170.7	-25.4	34.6	0	0	0	111.6	L540 N574 R600	L540-P571 WeakPolarHBondContact O-CD 3.43Å; P571-N574 PolarHBondContact O-OD1 2.96Å; P571-R600 PolarHBondContact O-NH1 3.18Å
572	V	95.3	Very high	95.4	Very high	125 Å²	125	56.9 Å²	56.9	76%	0.758	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-74.6	-28.5	-179.1	-63.8	0	0	0	0	112.7	M570 N574 Q575	M570-V572 PolarHBondContact O-N 2.84Å; V572-N574 VanDerWaalsContact C-N 3.27Å; V572-N574 PolarHBondContact O-N 2.84Å; V572-Q575 PolarHBondContact O-N 3.29Å
573	S	95.6	Very high	95.2	Very high	108 Å²	108	56 Å²	56	76%	0.755	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-71.4	-14.3	-176.8	51	0	0	0	0	114.7
574	N	96.4	Very high	95.1	Very high	28 Å²	28	57.5 Å²	57.5	15%	0.15	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-97.8	2.2	176.5	81	3.2	0	0	0	113.8	C543 P571 V572 Y599 R600	C543-N574 PolarHBondContact O-ND2 3.45Å; P571-N574 PolarHBondContact O-OD1 2.96Å; V572-N574 VanDerWaalsContact C-N 3.27Å; V572-N574 PolarHBondContact O-N 2.84Å; N574-Y599 CarbonylContact O-C 3.59Å; N574-Y599 WeakPolarHBondContact O-CA 3.28Å; N574-R600 PolarHBondContact O-N 3.05Å; N574-R600 VanDerWaalsContact OD1-CD 3.3Å; N574-R600 WeakPolarHBondContact OD1-CD 3.21Å
575	Q	97.2	Very high	94.9	Very high	24 Å²	24	55 Å²	55	11%	0.112	30%	0.299	C	S	.	.	S	Bend	trans	-70.3	144.5	171.4	-175.9	67.2	-34.6	0	0	110.6	V572 Y599 R600 Y620 R622	V572-Q575 PolarHBondContact O-N 3.29Å; Q575-Y599 WeakPolarHBondContact O-CD1 3.42Å; Q575-R600 VanDerWaalsContact CD-NH2 3.26Å; Q575-Y620 PolarHBondContact NE2-O 3.39Å; Q575-R622 HydrophobicContact CG-CG 4.12Å
576	K	97.8	Very high	94.9	Very high	7 Å²	7	58.7 Å²	58.7	3%	0.03	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-59.7	150.9	174.2	-64.4	179.5	173.7	72	0	111.8	N428 D430 A582 M588 Y599 R600 R622	N428-K576 VanDerWaalsContact O-CE 3.27Å; N428-K576 WeakPolarHBondContact O-CE 3.15Å; N428-K576 PolarHBondContact O-NZ 2.92Å; N428-K576 WeakPolarHBondContact OD1-CE 3.05Å; N428-K576 PolarHBondContact OD1-NZ 3Å; D430-K576 IonicContact OD1-NZ 2.94Å; D430-K576 PolarHBondContact OD1-NZ 2.86Å; K576-A582 HydrophobicContact CB-CB 4.35Å; K576-A582 HydrophobicContact CD-CB 4.22Å; K576-M588 HydrophobicContact CD-CE 4.06Å; K576-M588 HydrophobicContact CG-CE 4.44Å; K576-Y599 HydrophobicContact CG-CD2 4.41Å; K576-Y599 HydrophobicContact CG-CG 4.14Å; K576-R600 PolarHBondContact NZ-O 3.44Å; K576-R622 HydrophobicContact CB-CB 3.96Å; K576-R622 HydrophobicContact CB-CG 4.21Å; K576-R622 HydrophobicContact CD-CB 4.44Å
577	P	96.2	Very high	94.8	Very high	48 Å²	48	63.8 Å²	63.8	31%	0.312	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-54.6	148.9	162	-22.2	33.7	0	0	0	111.3	T579 A582	P577-T579 VanDerWaalsContact C-N 3.26Å; P577-T579 HydrophobicContact CB-CG2 4.16Å; P577-T579 PolarHBondContact O-N 3.43Å; P577-A582 WeakPolarHBondContact O-CB 3.44Å
578	D	95.4	Very high	94.9	Very high	115 Å²	115	62.7 Å²	62.7	62%	0.615	33%	0.334	S	S	*	.	S	Bend	trans	-93.5	56.8	173.6	-155.1	18.3	0	0	0	110.7	R622	D578-R622 WeakPolarHBondContact OD1-CD 3.48Å
579	T	94.5	Very high	94.8	Very high	54 Å²	54	58.6 Å²	58.6	33%	0.331	32%	0.317	S	S	.	.	S	Bend	trans	-123.1	166.6	-177.7	64.7	0	0	0	0	110.2	P577 E581 A582 R623	P577-T579 VanDerWaalsContact C-N 3.26Å; P577-T579 HydrophobicContact CB-CG2 4.16Å; P577-T579 PolarHBondContact O-N 3.43Å; T579-E581 PolarHBondContact O-N 3.48Å; T579-E581 WeakPolarHBondContact OG1-CB 3.48Å; T579-E581 WeakPolarHBondContact OG1-CG 3.41Å; T579-E581 PolarHBondContact OG1-N 3.22Å; T579-E581 PolarHBondContact OG1-OE2 2.98Å; T579-A582 WeakPolarHBondContact O-CB 3.46Å; T579-A582 PolarHBondContact O-N 2.97Å; T579-A582 VanDerWaalsContact O-N 3.07Å; T579-R623 WeakPolarHBondContact O-CG 3.42Å
580	D	88.4	Confident	94.8	Very high	113 Å²	113	58.6 Å²	58.6	60%	0.604	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-57.8	-19.7	174.2	-63.2	-26.9	0	0	0	112.7	A582 E583 D584 R623	D580-A582 VanDerWaalsContact C-N 3.25Å; D580-A582 PolarHBondContact O-N 3.4Å; D580-E583 PolarHBondContact O-N 3.02Å; D580-D584 PolarHBondContact O-N 3.13Å; D580-R623 IonicContact OD1-CZ 1.95Å; D580-R623 IonicContact OD1-NH1 3.58Å; D580-R623 PolarHBondContact OD1-NH1 3.28Å; D580-R623 IonicContact OD1-NH2 2.37Å; D580-R623 PolarHBondContact OD1-NH2 2.94Å
581	E	94.1	Very high	94.8	Very high	83 Å²	83	59.4 Å²	59.4	39%	0.388	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-64.3	-28.8	176.8	-51.3	174.4	108.3	0	0	112.5	T579 E583 D584 K587 M588	T579-E581 PolarHBondContact O-N 3.48Å; T579-E581 WeakPolarHBondContact OG1-CB 3.48Å; T579-E581 WeakPolarHBondContact OG1-CG 3.41Å; T579-E581 PolarHBondContact OG1-N 3.22Å; T579-E581 PolarHBondContact OG1-OE2 2.98Å; E581-E583 PolarHBondContact O-N 3.1Å; E581-E583 VanDerWaalsContact O-N 3.15Å; E581-D584 PolarHBondContact O-N 2.83Å; E581-D584 VanDerWaalsContact O-N 3.07Å; E581-K587 HydrophobicContact CB-CD 4Å; E581-K587 HydrophobicContact CG-CD 4.11Å; E581-K587 IonicContact OE1-NZ 3.81Å; E581-K587 PolarHBondContact OE1-NZ 3.36Å; E581-M588 WeakPolarHBondContact O-CG 3.33Å
582	A	92.8	Very high	94.8	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-66.2	-12.9	178.2	0	0	0	0	0	113.7	K576 P577 T579 D580 R623	K576-A582 HydrophobicContact CB-CB 4.35Å; K576-A582 HydrophobicContact CD-CB 4.22Å; P577-A582 WeakPolarHBondContact O-CB 3.44Å; T579-A582 WeakPolarHBondContact O-CB 3.46Å; T579-A582 PolarHBondContact O-N 2.97Å; T579-A582 VanDerWaalsContact O-N 3.07Å; D580-A582 VanDerWaalsContact C-N 3.25Å; D580-A582 PolarHBondContact O-N 3.4Å; A582-R623 HydrophobicContact CB-CB 4.08Å; A582-R623 HydrophobicContact CB-CG 4.07Å
583	E	90.7	Very high	94.7	Very high	27 Å²	27	59.3 Å²	59.3	13%	0.126	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-119	9	170.6	69.8	177.7	138.9	0	0	114.5	G384 R429 D580 E581 P585 R623	G384-E583 PolarHBondContact N-OE2 3.07Å; R429-E583 IonicContact NH2-OE2 2.84Å; D580-E583 PolarHBondContact O-N 3.02Å; E581-E583 PolarHBondContact O-N 3.1Å; E581-E583 VanDerWaalsContact O-N 3.15Å; E583-P585 WeakPolarHBondContact O-CD 3.25Å; E583-R623 HydrophobicContact CB-CB 4.07Å; E583-R623 HydrophobicContact CG-CB 4.25Å; E583-R623 IonicContact OE1-CZ 2.74Å; E583-R623 VanDerWaalsContact OE1-CZ 3.27Å; E583-R623 IonicContact OE1-NE 2.87Å; E583-R623 PolarHBondContact OE1-NE 3.18Å; E583-R623 IonicContact OE1-NH2 3.96Å; E583-R623 PolarHBondContact OE1-NH2 3.02Å
584	D	94	Very high	94.6	Very high	31 Å²	31	56.6 Å²	56.6	17%	0.166	30%	0.3	C	S	.	.			trans	-77.9	120.8	173.9	-172.6	-91.1	0	0	0	111.5	K385 D580 E581 E586 K587 M588	K385-D584 IonicContact NZ-OD2 3.05Å; K385-D584 PolarHBondContact NZ-OD2 3.2Å; D580-D584 PolarHBondContact O-N 3.13Å; E581-D584 PolarHBondContact O-N 2.83Å; E581-D584 VanDerWaalsContact O-N 3.07Å; D584-E586 VanDerWaalsContact C-N 3.34Å; D584-E586 PolarHBondContact O-N 3.03Å; D584-E586 PolarHBondContact OD1-N 3.45Å; D584-K587 HydrophobicContact CB-CB 4.41Å; D584-K587 PolarHBondContact OD1-N 3.33Å; D584-M588 WeakPolarHBondContact O-CB 3.32Å; D584-M588 VanDerWaalsContact O-CG 3.26Å; D584-M588 WeakPolarHBondContact O-CG 3.45Å; D584-M588 PolarHBondContact O-N 3.19Å
585	P	91.1	Very high	94.4	Very high	25 Å²	25	55.8 Å²	55.8	16%	0.162	30%	0.299	C	S	.	.	H	α-helix	trans	-60.3	-35.4	-175.6	-28.1	36.5	0	0	0	115.3	K385 E583 L589	K385-P585 HydrophobicContact CB-CG 3.53Å; K385-P585 HydrophobicContact CD-CG 3.9Å; K385-P585 HydrophobicContact CG-CG 4.38Å; E583-P585 WeakPolarHBondContact O-CD 3.25Å; P585-L589 WeakPolarHBondContact O-CB 3.4Å; P585-L589 PolarHBondContact O-N 3.34Å
586	E	95.1	Very high	94.1	Very high	155 Å²	155	57.7 Å²	57.7	72%	0.724	31%	0.306	S	S	*	.	H	α-helix	trans	-76.4	-49.5	-173.1	-68.1	170.1	-150.7	0	0	109.8	D584 M588 A590	D584-E586 VanDerWaalsContact C-N 3.34Å; D584-E586 PolarHBondContact O-N 3.03Å; D584-E586 PolarHBondContact OD1-N 3.45Å; E586-M588 VanDerWaalsContact C-N 3.34Å; E586-M588 PolarHBondContact O-N 2.89Å; E586-A590 WeakPolarHBondContact O-CB 3.46Å; E586-A590 PolarHBondContact O-N 3.04Å
587	K	96.1	Very high	93.8	Very high	113 Å²	113	64.8 Å²	64.8	49%	0.491	34%	0.339	S	S	.	.	H	α-helix	trans	-61.2	-42.5	175.3	-68.8	-178	175.4	179.5	0	111.9	E581 D584 N591	E581-K587 HydrophobicContact CB-CD 4Å; E581-K587 HydrophobicContact CG-CD 4.11Å; E581-K587 IonicContact OE1-NZ 3.81Å; E581-K587 PolarHBondContact OE1-NZ 3.36Å; D584-K587 HydrophobicContact CB-CB 4.41Å; D584-K587 PolarHBondContact OD1-N 3.33Å; K587-N591 WeakPolarHBondContact O-CB 3.4Å; K587-N591 PolarHBondContact O-N 3.29Å
588	M	96.6	Very high	93.9	Very high	7 Å²	7	62.8 Å²	62.8	3%	0.034	33%	0.326	C	S	.	.	H	α-helix	trans	-81.2	-28.4	-174.4	-63.8	-56.9	-41.6	0	0	113.5	Q427 N428 R429 K576 E581 D584 E586 N591 F592	Q427-M588 CarbonylContact C-O 3.5Å; Q427-M588 CarbonylContact O-C 3.49Å; Q427-M588 VanDerWaalsContact O-C 3.26Å; Q427-M588 WeakPolarHBondContact O-CB 3.31Å; Q427-M588 VanDerWaalsContact O-O 3.06Å; N428-M588 HydrophobicContact CB-CE 3.84Å; R429-M588 HydrophobicContact CG-CB 4.04Å; R429-M588 HydrophobicContact CG-CG 4.33Å; K576-M588 HydrophobicContact CD-CE 4.06Å; K576-M588 HydrophobicContact CG-CE 4.44Å; E581-M588 WeakPolarHBondContact O-CG 3.33Å; D584-M588 WeakPolarHBondContact O-CB 3.32Å; D584-M588 VanDerWaalsContact O-CG 3.26Å; D584-M588 WeakPolarHBondContact O-CG 3.45Å; D584-M588 PolarHBondContact O-N 3.19Å; E586-M588 VanDerWaalsContact C-N 3.34Å; E586-M588 PolarHBondContact O-N 2.89Å; M588-N591 HydrophobicContact CE-CB 4.17Å; M588-N591 PolarHBondContact O-N 3.46Å; M588-F592 PolarHBondContact O-N 3.39Å
589	L	95.6	Very high	94	Very high	66 Å²	66	61.2 Å²	61.2	35%	0.346	31%	0.312	S	S	.	.	H	α-helix	trans	-67.5	-46.8	167.2	-178.4	62.4	0	0	0	111.2	L426 P585 N591 F592 E593	L426-L589 WeakPolarHBondContact O-CD1 3.44Å; P585-L589 WeakPolarHBondContact O-CB 3.4Å; P585-L589 PolarHBondContact O-N 3.34Å; L589-N591 PolarHBondContact O-N 3.11Å; L589-F592 WeakPolarHBondContact O-CA 3.45Å; L589-F592 WeakPolarHBondContact O-CB 3.42Å; L589-F592 PolarHBondContact O-N 2.87Å; L589-E593 WeakPolarHBondContact O-CG 3.23Å; L589-E593 PolarHBondContact O-N 2.95Å
590	A	96.3	Very high	94.2	Very high	58 Å²	58	59.3 Å²	59.3	48%	0.479	30%	0.298	S	S	.	.	H	α-helix	trans	-58.9	-33.9	173.7	0	0	0	0	0	112.1	E586 E593 S594	E586-A590 WeakPolarHBondContact O-CB 3.46Å; E586-A590 PolarHBondContact O-N 3.04Å; A590-E593 PolarHBondContact O-N 3.28Å; A590-S594 PolarHBondContact O-N 3.01Å
591	N	96.7	Very high	94.6	Very high	25 Å²	25	54 Å²	54	13%	0.134	27%	0.27	C	S	.	.	H	α-helix	trans	-70.6	-32.9	171.6	-170	-102.7	0	0	0	113.3	N428 K587 M588 L589 E593 S594 K598 Y599	N428-N591 PolarHBondContact ND2-OD1 3.04Å; N428-N591 VanDerWaalsContact ND2-OD1 3.13Å; K587-N591 WeakPolarHBondContact O-CB 3.4Å; K587-N591 PolarHBondContact O-N 3.29Å; M588-N591 HydrophobicContact CE-CB 4.17Å; M588-N591 PolarHBondContact O-N 3.46Å; L589-N591 PolarHBondContact O-N 3.11Å; N591-E593 VanDerWaalsContact C-N 3.34Å; N591-S594 PolarHBondContact O-OG 3.15Å; N591-K598 WeakPolarHBondContact O-CB 3.29Å; N591-Y599 VanDerWaalsContact ND2-CD2 3.35Å; N591-Y599 WeakPolarHBondContact ND2-CD2 3.17Å; N591-Y599 WeakPolarHBondContact OD1-CD2 3.39Å; N591-Y599 PolarHBondContact OD1-N 3.4Å
592	F	95.5	Very high	94.8	Very high	16 Å²	16	50 Å²	50	7%	0.07	25%	0.251	C	S	.	.	H	α-helix	trans	-65	-41.1	170.8	-171.5	-97.8	0	0	0	111.4	G425 L426 N428 V451 W452 M588 L589 S594	G425-F592 WeakPolarHBondContact O-CE2 3.47Å; L426-F592 HydrophobicContact CD2-CE1 3.99Å; L426-F592 HydrophobicContact CD2-CZ 3.81Å; L426-F592 WeakPolarHBondContact O-CB 3.33Å; L426-F592 VanDerWaalsContact O-CD1 3.26Å; L426-F592 WeakPolarHBondContact O-CD1 3.41Å; L426-F592 WeakPolarHBondContact O-CG 3.23Å; N428-F592 HydrophobicContact CB-CB 4.05Å; N428-F592 HydrophobicContact CB-CD2 4.2Å; V451-F592 HydrophobicContact CG1-CE1 4.15Å; V451-F592 HydrophobicContact CG1-CZ 4.27Å; W452-F592 HydrophobicContact CB-CE2 4.04Å; W452-F592 HydrophobicContact CB-CZ 3.77Å; M588-F592 PolarHBondContact O-N 3.39Å; L589-F592 WeakPolarHBondContact O-CA 3.45Å; L589-F592 WeakPolarHBondContact O-CB 3.42Å; L589-F592 PolarHBondContact O-N 2.87Å; F592-S594 VanDerWaalsContact C-N 3.32Å; F592-S594 PolarHBondContact O-N 2.95Å
593	E	93.6	Very high	95.1	Very high	142 Å²	142	50 Å²	50	66%	0.664	25%	0.252	S	S	*	.	H	α-helix	trans	-73.2	-18.8	179.7	-68.2	175.2	179.7	0	0	113.4	L589 A590 N591 G595	L589-E593 WeakPolarHBondContact O-CG 3.23Å; L589-E593 PolarHBondContact O-N 2.95Å; A590-E593 PolarHBondContact O-N 3.28Å; N591-E593 VanDerWaalsContact C-N 3.34Å; E593-G595 PolarHBondContact O-N 2.95Å
594	S	92.9	Very high	95.4	Very high	51 Å²	51	48.8 Å²	48.8	36%	0.357	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	13.4	174.5	77.9	0	0	0	0	114.9	A590 N591 F592 K596 H597	A590-S594 PolarHBondContact O-N 3.01Å; N591-S594 PolarHBondContact O-OG 3.15Å; F592-S594 VanDerWaalsContact C-N 3.32Å; F592-S594 PolarHBondContact O-N 2.95Å; S594-K596 PolarHBondContact O-N 3.35Å; S594-H597 PolarHBondContact O-N 3.12Å
595	G	91.1	Very high	95.4	Very high	12 Å²	12	47.3 Å²	47.3	12%	0.124	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	56.6	-121.4	169	0	0	0	0	0	113.2	W452 L456 E593 H597 K598	W452-G595 VanDerWaalsContact CZ2-O 3.32Å; W452-G595 WeakPolarHBondContact CZ2-O 3.31Å; W452-G595 PolarHBondContact NE1-O 3.4Å; L456-G595 VanDerWaalsContact CD2-C 3.49Å; E593-G595 PolarHBondContact O-N 2.95Å; G595-H597 PolarHBondContact O-N 2.97Å; G595-K598 PolarHBondContact O-N 2.7Å
596	K	90.8	Very high	95.3	Very high	64 Å²	64	46.1 Å²	46.1	28%	0.278	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-59.5	-26.3	-174	-169	168.5	-175.6	162.7	0	114	L456 D460 E463 S594	L456-K596 HydrophobicContact CD2-CB 4.44Å; D460-K596 HydrophobicContact CB-CB 4.35Å; D460-K596 HydrophobicContact CB-CD 4.04Å; D460-K596 PolarHBondContact O-NZ 3.37Å; E463-K596 WeakPolarHBondContact OE1-CE 3.37Å; E463-K596 IonicContact OE1-NZ 2.69Å; E463-K596 PolarHBondContact OE1-NZ 3.1Å; S594-K596 PolarHBondContact O-N 3.35Å
597	H	93.4	Very high	94.6	Very high	155 Å²	155	41.3 Å²	41.3	72%	0.718	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-100.4	9.7	-172.1	-59.8	-66.9	0	0	0	114.5	S594 G595	S594-H597 PolarHBondContact O-N 3.12Å; G595-H597 PolarHBondContact O-N 2.97Å
598	K	96.7	Very high	93.7	Very high	7 Å²	7	38.9 Å²	38.9	3%	0.03	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-61.8	151.9	177	77.2	170.2	-164.7	75.6	0	112.3	N428 W452 T544 N591 G595	N428-K598 WeakPolarHBondContact ND2-CD 3.38Å; W452-K598 HydrophobicContact CD2-CD 4.2Å; W452-K598 HydrophobicContact CG-CD 4.21Å; W452-K598 HydrophobicContact CZ2-CD 4.29Å; W452-K598 HydrophobicContact CZ2-CG 4.3Å; T544-K598 PolarHBondContact O-NZ 3.47Å; T544-K598 WeakPolarHBondContact OG1-CE 3.48Å; T544-K598 PolarHBondContact OG1-NZ 2.87Å; T544-K598 PolarHBondContact OG1-O 2.87Å; N591-K598 WeakPolarHBondContact O-CB 3.29Å; G595-K598 PolarHBondContact O-N 2.7Å
599	Y	98.3	Very high	92.8	Very high	82 Å²	82	42.1 Å²	42.1	32%	0.322	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-61.7	152.6	167.9	-67.7	-64.4	0	0	0	110.5	N428 T544 N574 Q575 K576 N591	N428-Y599 PolarHBondContact ND2-O 3.15Å; N428-Y599 PolarHBondContact OD1-O 3.11Å; T544-Y599 PolarHBondContact OG1-O 3.27Å; N574-Y599 CarbonylContact O-C 3.59Å; N574-Y599 WeakPolarHBondContact O-CA 3.28Å; Q575-Y599 WeakPolarHBondContact O-CD1 3.42Å; K576-Y599 HydrophobicContact CG-CD2 4.41Å; K576-Y599 HydrophobicContact CG-CG 4.14Å; N591-Y599 VanDerWaalsContact ND2-CD2 3.35Å; N591-Y599 WeakPolarHBondContact ND2-CD2 3.17Å; N591-Y599 WeakPolarHBondContact OD1-CD2 3.39Å; N591-Y599 PolarHBondContact OD1-N 3.4Å
600	R	97.8	Very high	91.8	Very high	13 Å²	13	41 Å²	41	5%	0.049	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-62.2	143.9	169.6	75.5	174.2	-176.9	-145.6	11.4	109.4	T544 P571 N574 Q575 K576	T544-R600 WeakPolarHBondContact O-CA 3.34Å; T544-R600 WeakPolarHBondContact OG1-CA 3.49Å; P571-R600 PolarHBondContact O-NH1 3.18Å; N574-R600 PolarHBondContact O-N 3.05Å; N574-R600 VanDerWaalsContact OD1-CD 3.3Å; N574-R600 WeakPolarHBondContact OD1-CD 3.21Å; Q575-R600 VanDerWaalsContact CD-NH2 3.26Å; K576-R600 PolarHBondContact NZ-O 3.44Å
601	Q	97.6	Very high	90.9	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	137.4	170.7	68.9	-161.5	95.3	0	0	110.3	G425 N428 D430 T544 Y545 V546	G425-Q601 PolarHBondContact O-NE2 3.08Å; N428-Q601 WeakPolarHBondContact O-CB 3.44Å; D430-Q601 WeakPolarHBondContact OD1-CA 3.4Å; T544-Q601 PolarHBondContact O-N 2.64Å; Y545-Q601 WeakPolarHBondContact CA-O 3.3Å; Y545-Q601 HydrophobicContact CD1-CG 4.44Å; Y545-Q601 HydrophobicContact CD2-CG 3.41Å; Y545-Q601 VanDerWaalsContact CD2-CG 3.41Å; Y545-Q601 HydrophobicContact CE1-CG 4.45Å; Y545-Q601 HydrophobicContact CE2-CG 3.47Å; Y545-Q601 VanDerWaalsContact CE2-CG 3.47Å; Y545-Q601 HydrophobicContact CG-CG 3.93Å; V546-Q601 PolarHBondContact N-O 3.44Å
602	T	98.6	Very high	90.2	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	133.4	-173.8	-52.3	0	0	0	0	109.7	D430 I431 V546 Y620 L621	D430-T602 VanDerWaalsContact CA-O 3.28Å; D430-T602 WeakPolarHBondContact CA-O 3.18Å; D430-T602 WeakPolarHBondContact CB-O 3.47Å; D430-T602 PolarHBondContact OD1-N 3.27Å; I431-T602 PolarHBondContact N-O 3.33Å; V546-T602 HydrophobicContact CB-CG2 4.08Å; V546-T602 HydrophobicContact CG1-CG2 4.13Å; V546-T602 CarbonylContact O-C 3.57Å; V546-T602 WeakPolarHBondContact O-CA 3.46Å; T602-Y620 HydrophobicContact CG2-CD1 3.91Å; T602-Y620 HydrophobicContact CG2-CG 4.45Å; T602-L621 HydrophobicContact CG2-CD2 3.75Å; T602-L621 HydrophobicContact CG2-CG 4.34Å; T602-L621 WeakPolarHBondContact O-CD2 3.28Å
603	V	98.3	Very high	89.6	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.006	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	123.5	-177.7	-175.8	0	0	0	0	109.1	I431 Y545 V546 V547 L548 F605	I431-V603 HydrophobicContact CB-CG1 4.01Å; I431-V603 HydrophobicContact CB-CG2 4.28Å; I431-V603 HydrophobicContact CG2-CG1 4.16Å; I431-V603 WeakPolarHBondContact O-CA 3.47Å; Y545-V603 HydrophobicContact CE1-CG2 3.93Å; V546-V603 PolarHBondContact O-N 2.8Å; V547-V603 CarbonylContact C-O 3.54Å; V547-V603 VanDerWaalsContact CA-O 3.28Å; V547-V603 WeakPolarHBondContact CA-O 3.38Å; V547-V603 HydrophobicContact CG2-CB 4.41Å; L548-V603 PolarHBondContact N-O 2.79Å; V603-F605 HydrophobicContact CB-CE2 4.43Å; V603-F605 HydrophobicContact CG1-CD2 3.78Å; V603-F605 HydrophobicContact CG1-CE2 3.18Å; V603-F605 HydrophobicContact CG1-CZ 3.77Å
604	M	97.4	Very high	88.9	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127.4	175.7	179	177	-77.1	0	0	109.2	I431 I432 G433 L548 A551 V613 L616 A617 L621	I431-M604 PolarHBondContact O-N 2.82Å; I432-M604 CarbonylContact C-O 3.58Å; I432-M604 WeakPolarHBondContact CA-O 3.35Å; G433-M604 PolarHBondContact N-O 2.99Å; L548-M604 HydrophobicContact CD1-CE 3.79Å; L548-M604 CarbonylContact O-C 3.57Å; L548-M604 WeakPolarHBondContact O-CA 3.46Å; A551-M604 HydrophobicContact CB-CE 4.4Å; A551-M604 HydrophobicContact CB-CG 3.8Å; A551-M604 HydrophobicContact CB-SD 4.26Å; M604-V613 HydrophobicContact SD-CG1 3.65Å; M604-L616 HydrophobicContact CE-CB 3.75Å; M604-A617 HydrophobicContact CE-CB 4.18Å; M604-A617 HydrophobicContact SD-CB 4.02Å; M604-L621 HydrophobicContact CB-CD1 4.22Å
605	F	94.9	Very high	88.6	Confident	1 Å²	1	41.6 Å²	41.6	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	138.5	169.4	-70.6	-83.7	0	0	0	110.9	I417 G433 K441 F445 V547 L548 D549 E550 A551 V603	I417-F605 HydrophobicContact CD1-CE1 4.03Å; I417-F605 HydrophobicContact CG1-CE1 3.77Å; G433-F605 VanDerWaalsContact O-CA 3.31Å; G433-F605 WeakPolarHBondContact O-CA 3.34Å; G433-F605 WeakPolarHBondContact O-CD1 3.06Å; K441-F605 HydrophobicContact CB-CD1 4.17Å; K441-F605 HydrophobicContact CB-CE1 4.2Å; K441-F605 HydrophobicContact CB-CG 4.43Å; K441-F605 HydrophobicContact CB-CZ 4.47Å; K441-F605 HydrophobicContact CD-CB 3.77Å; K441-F605 HydrophobicContact CD-CD1 3.52Å; K441-F605 HydrophobicContact CD-CE1 4.3Å; K441-F605 HydrophobicContact CD-CG 3.76Å; K441-F605 HydrophobicContact CG-CD1 3.78Å; K441-F605 HydrophobicContact CG-CE1 4.05Å; K441-F605 HydrophobicContact CG-CG 4.32Å; F445-F605 HydrophobicContact CB-CE2 4.07Å; F445-F605 HydrophobicContact CD1-CD2 4Å; F445-F605 AromaticContact CD1-CE2 3.38Å; F445-F605 HydrophobicContact CD1-CE2 3.38Å; F445-F605 HydrophobicContact CD1-CZ 4.14Å; F445-F605 HydrophobicContact CE1-CD2 4.39Å; F445-F605 HydrophobicContact CE1-CE2 4.19Å; F445-F605 HydrophobicContact CG-CE2 4.16Å; V547-F605 HydrophobicContact CG1-CD2 4.3Å; L548-F605 PolarHBondContact O-N 2.92Å; D549-F605 HydrophobicContact CB-CB 4.47Å; D549-F605 WeakPolarHBondContact OD1-CB 3.29Å; E550-F605 PolarHBondContact N-O 3.27Å; E550-F605 VanDerWaalsContact N-O 3.09Å; A551-F605 PolarHBondContact N-O 2.63Å; V603-F605 HydrophobicContact CB-CE2 4.43Å; V603-F605 HydrophobicContact CG1-CD2 3.78Å; V603-F605 HydrophobicContact CG1-CE2 3.18Å; V603-F605 HydrophobicContact CG1-CZ 3.77Å
606	T	88.1	Confident	88.5	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	155	-172.2	-167.5	0	0	0	0	108.8	I432 G433 V434 A435 D552 T608 M609 V613	I432-T606 HydrophobicContact CG2-CG2 4.49Å; G433-T606 PolarHBondContact O-N 3.28Å; V434-T606 WeakPolarHBondContact CA-O 3.48Å; V434-T606 HydrophobicContact CG2-CG2 4.2Å; A435-T606 PolarHBondContact N-O 3.07Å; D552-T606 WeakPolarHBondContact CB-OG1 3.42Å; D552-T606 PolarHBondContact N-OG1 2.96Å; D552-T606 PolarHBondContact OD1-OG1 2.63Å; D552-T606 PolarHBondContact OD2-OG1 2.77Å; D552-T606 VanDerWaalsContact OD2-OG1 3.09Å; T606-T608 WeakPolarHBondContact CB-O 3.28Å; T606-T608 WeakPolarHBondContact CG2-O 2.99Å; T606-T608 PolarHBondContact OG1-N 2.86Å; T606-T608 PolarHBondContact OG1-O 3.33Å; T606-M609 HydrophobicContact CG2-CG 4.49Å; T606-M609 HydrophobicContact CG2-SD 3.75Å; T606-V613 HydrophobicContact CG2-CG1 4.44Å
607	A	81.3	Confident	88.5	Confident	53 Å²	53	38.4 Å²	38.4	44%	0.438	20%	0.2	S	C	.	.	S	Bend	trans	-89	-30.5	167.8	0	0	0	0	0	110.9	D552	D552-A607 WeakPolarHBondContact OD2-CA 3.02Å; D552-A607 WeakPolarHBondContact OD2-CB 3.17Å; D552-A607 PolarHBondContact OD2-N 3.32Å
608	T	76.9	Confident	88.2	Confident	62 Å²	62	39.6 Å²	39.6	38%	0.38	20%	0.198	S	C	.	.			trans	-127	165.1	-172.9	64.1	0	0	0	0	112.2	D552 T606 P610	D552-T608 WeakPolarHBondContact CB-OG1 3.15Å; D552-T608 PolarHBondContact OD2-N 3.14Å; D552-T608 PolarHBondContact OD2-OG1 3.4Å; T606-T608 WeakPolarHBondContact CB-O 3.28Å; T606-T608 WeakPolarHBondContact CG2-O 2.99Å; T606-T608 PolarHBondContact OG1-N 2.86Å; T606-T608 PolarHBondContact OG1-O 3.33Å; T608-P610 VanDerWaalsContact C-CD 3.42Å; T608-P610 WeakPolarHBondContact OG1-CD 3.09Å
609	M	77.1	Confident	88.1	Confident	75 Å²	75	41.9 Å²	41.9	37%	0.369	22%	0.215	S	C	.	.			trans	-126.7	64.7	176.3	-70.9	-65.9	-56.1	0	0	111.4	I432 T606 V613 E614	I432-M609 HydrophobicContact CD1-CE 4.5Å; I432-M609 HydrophobicContact CG2-SD 4.03Å; T606-M609 HydrophobicContact CG2-CG 4.49Å; T606-M609 HydrophobicContact CG2-SD 3.75Å; M609-V613 HydrophobicContact CE-CG1 4.21Å; M609-V613 HydrophobicContact SD-CG1 3.87Å; M609-E614 HydrophobicContact CE-CG 3.98Å
610	P	75.1	Confident	88	Confident	42 Å²	42	38.1 Å²	38.1	27%	0.273	20%	0.2	S	C	.	.			trans	-68.9	159.6	170.9	31	-36.2	0	0	0	110.9	T608 A612 V613 E614	T608-P610 VanDerWaalsContact C-CD 3.42Å; T608-P610 WeakPolarHBondContact OG1-CD 3.09Å; P610-A612 PolarHBondContact O-N 3.07Å; P610-V613 HydrophobicContact CG-CB 4.14Å; P610-V613 HydrophobicContact CG-CG2 3.72Å; P610-V613 PolarHBondContact O-N 3.42Å; P610-E614 PolarHBondContact O-N 3.45Å; P610-E614 VanDerWaalsContact O-N 3.11Å
611	P	77.6	Confident	87.9	Confident	95 Å²	95	37.8 Å²	37.8	62%	0.617	20%	0.199	S	C	*	.	H	α-helix	trans	-57.2	-20.7	-176.9	-28.1	36.1	0	0	0	115.7	R615	P611-R615 WeakPolarHBondContact O-CG 3.43Å; P611-R615 PolarHBondContact O-N 2.99Å; P611-R615 VanDerWaalsContact O-N 3.1Å
612	A	80.8	Confident	87.9	Confident	10 Å²	10	40.3 Å²	40.3	8%	0.083	21%	0.209	C	C	.	.	H	α-helix	trans	-75.7	-40.2	174.2	0	0	0	0	0	112.9	I555 P610 E614 R615 L616	I555-A612 HydrophobicContact CB-CB 4.32Å; I555-A612 HydrophobicContact CD1-CB 3.82Å; I555-A612 HydrophobicContact CG1-CB 3.81Å; I555-A612 HydrophobicContact CG2-CB 3.56Å; P610-A612 PolarHBondContact O-N 3.07Å; A612-E614 VanDerWaalsContact C-N 3.28Å; A612-E614 PolarHBondContact O-N 3.36Å; A612-R615 WeakPolarHBondContact O-CB 3.32Å; A612-R615 PolarHBondContact O-N 3.42Å; A612-R615 VanDerWaalsContact O-N 3.14Å; A612-L616 PolarHBondContact O-N 3.39Å
613	V	83.6	Confident	87.5	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-65.2	-36.3	170.6	174.8	0	0	0	0	110	D552 I555 M604 T606 M609 P610 R615 L616 A617	D552-V613 VanDerWaalsContact CA-CG2 3.5Å; D552-V613 HydrophobicContact CB-CG2 3.98Å; I555-V613 HydrophobicContact CG1-CG2 3.92Å; M604-V613 HydrophobicContact SD-CG1 3.65Å; T606-V613 HydrophobicContact CG2-CG1 4.44Å; M609-V613 HydrophobicContact CE-CG1 4.21Å; M609-V613 HydrophobicContact SD-CG1 3.87Å; P610-V613 HydrophobicContact CG-CB 4.14Å; P610-V613 HydrophobicContact CG-CG2 3.72Å; P610-V613 PolarHBondContact O-N 3.42Å; V613-R615 PolarHBondContact O-N 3.05Å; V613-L616 PolarHBondContact O-N 2.73Å; V613-A617 VanDerWaalsContact O-CB 3.27Å; V613-A617 WeakPolarHBondContact O-CB 3.31Å; V613-A617 PolarHBondContact O-N 3.41Å
614	E	79.3	Confident	87.3	Confident	80 Å²	80	46.1 Å²	46.1	37%	0.374	24%	0.235	S	C	.	.	H	α-helix	trans	-61.6	-37.7	170.2	-70.8	-160.5	177.8	0	0	113.6	M609 P610 A612 A617 R618	M609-E614 HydrophobicContact CE-CG 3.98Å; P610-E614 PolarHBondContact O-N 3.45Å; P610-E614 VanDerWaalsContact O-N 3.11Å; A612-E614 VanDerWaalsContact C-N 3.28Å; A612-E614 PolarHBondContact O-N 3.36Å; E614-A617 PolarHBondContact O-N 3.39Å; E614-R618 VanDerWaalsContact O-CG 3.29Å; E614-R618 WeakPolarHBondContact O-CG 3.37Å; E614-R618 PolarHBondContact O-N 3.04Å; E614-R618 IonicContact OE2-CZ 3.69Å; E614-R618 IonicContact OE2-NH2 2.63Å; E614-R618 PolarHBondContact OE2-NH2 3.06Å
615	R	86.9	Confident	87	Confident	120 Å²	120	46.1 Å²	46.1	45%	0.453	24%	0.235	S	C	.	.	H	α-helix	trans	-63.2	-50.5	174.3	-74.8	-171	-58.8	-93.9	8.5	111.1	E560 P611 A612 V613 A617 R618 S619	E560-R615 VanDerWaalsContact CD-NH2 3.29Å; E560-R615 IonicContact OE1-CZ 3.33Å; E560-R615 IonicContact OE1-NE 3.74Å; E560-R615 PolarHBondContact OE1-NE 2.71Å; E560-R615 IonicContact OE1-NH2 3.74Å; E560-R615 PolarHBondContact OE1-NH2 3.46Å; E560-R615 IonicContact OE2-CZ 3.19Å; E560-R615 IonicContact OE2-NE 2.61Å; E560-R615 IonicContact OE2-NH2 2.74Å; E560-R615 PolarHBondContact OE2-NH2 3.06Å; P611-R615 WeakPolarHBondContact O-CG 3.43Å; P611-R615 PolarHBondContact O-N 2.99Å; P611-R615 VanDerWaalsContact O-N 3.1Å; A612-R615 WeakPolarHBondContact O-CB 3.32Å; A612-R615 PolarHBondContact O-N 3.42Å; A612-R615 VanDerWaalsContact O-N 3.14Å; V613-R615 PolarHBondContact O-N 3.05Å; R615-A617 VanDerWaalsContact C-N 3.26Å; R615-A617 PolarHBondContact O-N 2.83Å; R615-R618 PolarHBondContact O-N 3.49Å; R615-S619 PolarHBondContact O-N 3.24Å; R615-S619 VanDerWaalsContact O-N 3.11Å; R615-S619 PolarHBondContact O-OG 3.38Å
616	L	88.9	Confident	86.5	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-55.6	-44.4	175.1	-70.5	-175.9	0	0	0	111	I555 E560 V563 Q564 M604 A612 V613 R618 S619 Y620	I555-L616 HydrophobicContact CD1-CD1 3.61Å; I555-L616 HydrophobicContact CD1-CG 4.13Å; I555-L616 HydrophobicContact CG1-CD1 4.39Å; E560-L616 HydrophobicContact CG-CD2 4.14Å; E560-L616 HydrophobicContact CG-CG 4.43Å; V563-L616 HydrophobicContact CB-CD2 4.38Å; V563-L616 HydrophobicContact CG1-CD1 4.19Å; V563-L616 HydrophobicContact CG1-CD2 3.85Å; Q564-L616 HydrophobicContact CG-CD2 4.23Å; M604-L616 HydrophobicContact CE-CB 3.75Å; A612-L616 PolarHBondContact O-N 3.39Å; V613-L616 PolarHBondContact O-N 2.73Å; L616-R618 PolarHBondContact O-N 2.99Å; L616-S619 PolarHBondContact O-N 3.17Å; L616-Y620 WeakPolarHBondContact O-CB 3.3Å; L616-Y620 PolarHBondContact O-N 3.34Å
617	A	89.1	Confident	86.6	Confident	10 Å²	10	47.6 Å²	47.6	8%	0.083	25%	0.245	C	C	.	.	H	α-helix	trans	-59.3	-46.3	179.7	0	0	0	0	0	112.3	I432 M604 V613 E614 R615 S619 L621	I432-A617 HydrophobicContact CD1-CB 4.17Å; M604-A617 HydrophobicContact CE-CB 4.18Å; M604-A617 HydrophobicContact SD-CB 4.02Å; V613-A617 VanDerWaalsContact O-CB 3.27Å; V613-A617 WeakPolarHBondContact O-CB 3.31Å; V613-A617 PolarHBondContact O-N 3.41Å; E614-A617 PolarHBondContact O-N 3.39Å; R615-A617 VanDerWaalsContact C-N 3.26Å; R615-A617 PolarHBondContact O-N 2.83Å; A617-S619 PolarHBondContact O-N 2.94Å; A617-L621 HydrophobicContact CB-CD1 3.83Å; A617-L621 VanDerWaalsContact O-CB 3.29Å; A617-L621 WeakPolarHBondContact O-CB 3.44Å; A617-L621 PolarHBondContact O-N 2.82Å
618	R	87.8	Confident	86.7	Confident	179 Å²	179	49.4 Å²	49.4	68%	0.675	24%	0.241	S	C	*	.	H	α-helix	trans	-63.9	-38	177.5	-67.5	172	-154.7	-157.1	7.2	112.6	E614 R615 L616 R622	E614-R618 VanDerWaalsContact O-CG 3.29Å; E614-R618 WeakPolarHBondContact O-CG 3.37Å; E614-R618 PolarHBondContact O-N 3.04Å; E614-R618 IonicContact OE2-CZ 3.69Å; E614-R618 IonicContact OE2-NH2 2.63Å; E614-R618 PolarHBondContact OE2-NH2 3.06Å; R615-R618 PolarHBondContact O-N 3.49Å; L616-R618 PolarHBondContact O-N 2.99Å; R618-R622 PolarHBondContact O-NH1 2.74Å
619	S	93.9	Very high	87.1	Confident	55 Å²	55	48 Å²	48	39%	0.385	23%	0.23	S	C	.	.	H	α-helix	trans	-69.3	-51.5	177.5	-62.8	0	0	0	0	111.9	R615 L616 A617 R622	R615-S619 PolarHBondContact O-N 3.24Å; R615-S619 VanDerWaalsContact O-N 3.11Å; R615-S619 PolarHBondContact O-OG 3.38Å; L616-S619 PolarHBondContact O-N 3.17Å; A617-S619 PolarHBondContact O-N 2.94Å; S619-R622 PolarHBondContact O-NH1 2.75Å
620	Y	96.5	Very high	86.7	Confident	3 Å²	3	44.7 Å²	44.7	1%	0.012	22%	0.216	C	C	.	.	H	α-helix	trans	-76.8	-45.9	-171.4	-92.7	-97.7	0	0	0	114.4	V546 L548 V563 L567 Q575 T602 L616	V546-Y620 HydrophobicContact CG1-CD1 3.98Å; V546-Y620 HydrophobicContact CG1-CE1 3.77Å; L548-Y620 HydrophobicContact CD1-CD1 3.94Å; L548-Y620 HydrophobicContact CD1-CD2 4.06Å; L548-Y620 HydrophobicContact CD1-CE1 3.99Å; L548-Y620 HydrophobicContact CD1-CE2 4.14Å; L548-Y620 HydrophobicContact CD1-CG 3.97Å; L548-Y620 HydrophobicContact CD2-CE1 4.15Å; L548-Y620 HydrophobicContact CG-CD1 4.48Å; L548-Y620 HydrophobicContact CG-CE1 4.32Å; V563-Y620 HydrophobicContact CG1-CE2 3.66Å; V563-Y620 WeakPolarHBondContact CG1-OH 3.03Å; V563-Y620 PolarHBondContact O-OH 3.39Å; L567-Y620 HydrophobicContact CB-CE1 4.42Å; L567-Y620 HydrophobicContact CB-CE2 3.91Å; L567-Y620 HydrophobicContact CD1-CD1 3.92Å; L567-Y620 HydrophobicContact CD1-CD2 4.44Å; L567-Y620 HydrophobicContact CD1-CE1 3.82Å; L567-Y620 HydrophobicContact CD1-CE2 4.33Å; L567-Y620 HydrophobicContact CD1-CG 4.24Å; L567-Y620 HydrophobicContact CD2-CD2 3.83Å; L567-Y620 HydrophobicContact CD2-CE2 3.89Å; L567-Y620 HydrophobicContact CD2-CG 4.26Å; L567-Y620 HydrophobicContact CG-CE2 4.26Å; Q575-Y620 PolarHBondContact NE2-O 3.39Å; T602-Y620 HydrophobicContact CG2-CD1 3.91Å; T602-Y620 HydrophobicContact CG2-CG 4.45Å; L616-Y620 WeakPolarHBondContact O-CB 3.3Å; L616-Y620 PolarHBondContact O-N 3.34Å
621	L	96.1	Very high	85.5	Confident	6 Å²	6	46.8 Å²	46.8	3%	0.031	23%	0.232	C	C	.	.			trans	-97	159.5	-167.3	-56.2	154.5	0	0	0	111.9	D430 I432 T602 M604 A617 P624	D430-L621 HydrophobicContact CB-CB 4.34Å; D430-L621 HydrophobicContact CB-CD2 3.84Å; D430-L621 VanDerWaalsContact OD2-CA 3.26Å; D430-L621 WeakPolarHBondContact OD2-CA 3.26Å; I432-L621 HydrophobicContact CD1-CD1 3.78Å; I432-L621 HydrophobicContact CG1-CD1 3.49Å; I432-L621 VanDerWaalsContact CG1-CD1 3.49Å; T602-L621 HydrophobicContact CG2-CD2 3.75Å; T602-L621 HydrophobicContact CG2-CG 4.34Å; T602-L621 WeakPolarHBondContact O-CD2 3.28Å; M604-L621 HydrophobicContact CB-CD1 4.22Å; A617-L621 HydrophobicContact CB-CD1 3.83Å; A617-L621 VanDerWaalsContact O-CB 3.29Å; A617-L621 WeakPolarHBondContact O-CB 3.44Å; A617-L621 PolarHBondContact O-N 2.82Å; L621-P624 HydrophobicContact CB-CB 4.02Å; L621-P624 HydrophobicContact CB-CG 3.87Å; L621-P624 HydrophobicContact CD1-CB 4.1Å; L621-P624 HydrophobicContact CD1-CG 4Å; L621-P624 HydrophobicContact CD2-CB 4.28Å; L621-P624 HydrophobicContact CG-CB 4.38Å; L621-P624 HydrophobicContact CG-CG 4.47Å
622	R	96.8	Very high	84.2	Confident	55 Å²	55	45.1 Å²	45.1	21%	0.208	23%	0.226	C	C	.	.	S	Bend	trans	-130.3	126.6	167.1	-64.4	-64.6	179.7	-84.4	5	110.3	D430 Q575 K576 D578 R618 S619 P624	D430-R622 PolarHBondContact OD2-N 3.49Å; Q575-R622 HydrophobicContact CG-CG 4.12Å; K576-R622 HydrophobicContact CB-CB 3.96Å; K576-R622 HydrophobicContact CB-CG 4.21Å; K576-R622 HydrophobicContact CD-CB 4.44Å; D578-R622 WeakPolarHBondContact OD1-CD 3.48Å; R618-R622 PolarHBondContact O-NH1 2.74Å; S619-R622 PolarHBondContact O-NH1 2.75Å; R622-P624 VanDerWaalsContact C-CD 3.45Å; R622-P624 VanDerWaalsContact C-N 3.32Å
623	R	90.5	Very high	82.8	Confident	86 Å²	86	46.5 Å²	46.5	33%	0.325	24%	0.241	S	C	.	.	S	Bend	trans	37	52.9	-174.5	-56.4	-62.6	-73.6	-103.9	-9.7	114.2	T579 D580 A582 E583	T579-R623 WeakPolarHBondContact O-CG 3.42Å; D580-R623 IonicContact OD1-CZ 1.95Å; D580-R623 IonicContact OD1-NH1 3.58Å; D580-R623 PolarHBondContact OD1-NH1 3.28Å; D580-R623 IonicContact OD1-NH2 2.37Å; D580-R623 PolarHBondContact OD1-NH2 2.94Å; A582-R623 HydrophobicContact CB-CB 4.08Å; A582-R623 HydrophobicContact CB-CG 4.07Å; E583-R623 HydrophobicContact CB-CB 4.07Å; E583-R623 HydrophobicContact CG-CB 4.25Å; E583-R623 IonicContact OE1-CZ 2.74Å; E583-R623 VanDerWaalsContact OE1-CZ 3.27Å; E583-R623 IonicContact OE1-NE 2.87Å; E583-R623 PolarHBondContact OE1-NE 3.18Å; E583-R623 IonicContact OE1-NH2 3.96Å; E583-R623 PolarHBondContact OE1-NH2 3.02Å
624	P	94.7	Very high	82.1	Confident	36 Å²	36	50.1 Å²	50.1	23%	0.234	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-68.8	139.5	-172.5	29.1	-35.8	0	0	0	112.3	D430 I432 L621 R622	D430-P624 HydrophobicContact CB-CB 3.98Å; D430-P624 CarbonylContact O-C 3.58Å; D430-P624 VanDerWaalsContact O-CA 3.29Å; D430-P624 WeakPolarHBondContact O-CA 3.24Å; I432-P624 HydrophobicContact CD1-CB 4.41Å; I432-P624 HydrophobicContact CD1-CG 3.98Å; I432-P624 HydrophobicContact CG1-CB 4.1Å; I432-P624 HydrophobicContact CG1-CG 4.22Å; L621-P624 HydrophobicContact CB-CB 4.02Å; L621-P624 HydrophobicContact CB-CG 3.87Å; L621-P624 HydrophobicContact CD1-CB 4.1Å; L621-P624 HydrophobicContact CD1-CG 4Å; L621-P624 HydrophobicContact CD2-CB 4.28Å; L621-P624 HydrophobicContact CG-CB 4.38Å; L621-P624 HydrophobicContact CG-CG 4.47Å; R622-P624 VanDerWaalsContact C-CD 3.45Å; R622-P624 VanDerWaalsContact C-N 3.32Å
625	A	90.6	Very high	81.7	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	130.4	165.6	0	0	0	0	0	109.8	K382 I386 I424 D430 I431 I432	K382-A625 CarbonylContact O-C 3.47Å; K382-A625 WeakPolarHBondContact O-CA 3.39Å; I386-A625 HydrophobicContact CD1-CB 3.72Å; I424-A625 HydrophobicContact CD1-CB 3.98Å; I424-A625 HydrophobicContact CG2-CB 3.96Å; D430-A625 PolarHBondContact O-N 2.76Å; I431-A625 CarbonylContact C-O 3.56Å; I431-A625 WeakPolarHBondContact CA-O 3.44Å; I432-A625 PolarHBondContact N-O 3.29Å
626	V	85.2	Confident	81.4	Confident	33 Å²	33	41.5 Å²	41.5	20%	0.2	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	131.5	173.8	-170.1	0	0	0	0	108.6	T381 K382 I432 V434	T381-V626 CarbonylContact C-O 3.55Å; T381-V626 WeakPolarHBondContact CA-O 3.47Å; K382-V626 HydrophobicContact CB-CB 3.95Å; K382-V626 HydrophobicContact CB-CG2 4.07Å; K382-V626 HydrophobicContact CD-CG2 4.41Å; K382-V626 HydrophobicContact CG-CB 4.33Å; K382-V626 PolarHBondContact N-O 2.94Å; K382-V626 PolarHBondContact O-N 3.31Å; I432-V626 HydrophobicContact CB-CG1 4.34Å; I432-V626 HydrophobicContact CB-CG2 4.31Å; I432-V626 HydrophobicContact CD1-CG2 4.47Å; I432-V626 HydrophobicContact CG2-CG1 4.43Å; I432-V626 CarbonylContact O-C 3.57Å; I432-V626 WeakPolarHBondContact O-CA 3.37Å; V434-V626 HydrophobicContact CG2-CG1 4.3Å
627	V	90.1	Very high	81	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	106.7	172.6	-175	0	0	0	0	108.2	I379 T381 I417 Q420 I424 I432 G433 V434 I629	I379-V627 HydrophobicContact CG2-CG1 4.16Å; T381-V627 HydrophobicContact CG2-CG2 4.47Å; I417-V627 HydrophobicContact CD1-CB 4.15Å; I417-V627 HydrophobicContact CD1-CG1 3.81Å; Q420-V627 HydrophobicContact CB-CG1 3.91Å; Q420-V627 HydrophobicContact CG-CG1 3.9Å; Q420-V627 HydrophobicContact CG-CG2 4.05Å; I424-V627 HydrophobicContact CD1-CG2 3.57Å; I432-V627 PolarHBondContact O-N 3.05Å; G433-V627 CarbonylContact C-O 3.6Å; G433-V627 WeakPolarHBondContact CA-O 3.28Å; V434-V627 PolarHBondContact N-O 2.8Å; V627-I629 HydrophobicContact CG1-CD1 3.92Å
628	Y	82.9	Confident	80.1	Confident	90 Å²	90	47.2 Å²	47.2	35%	0.353	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	126.5	-179	179.1	-88.2	0	0	0	110	T380 V434	T380-Y628 PolarHBondContact N-O 2.62Å; T380-Y628 PolarHBondContact O-N 3.42Å; V434-Y628 HydrophobicContact CB-CD2 3.66Å; V434-Y628 HydrophobicContact CB-CE2 4.4Å; V434-Y628 HydrophobicContact CB-CG 4.44Å; V434-Y628 HydrophobicContact CG1-CD2 3.54Å; V434-Y628 HydrophobicContact CG1-CE2 3.78Å; V434-Y628 HydrophobicContact CG2-CD2 4.37Å
629	I	84.9	Confident	79.8	Confident	32 Å²	32	38.7 Å²	38.7	16%	0.164	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	91.6	-175.4	-56.3	-59	0	0	0	110.6	I379 P416 I417 V434 A435 V627	I379-I629 HydrophobicContact CB-CD1 4.27Å; I379-I629 HydrophobicContact CG1-CD1 3.9Å; I379-I629 HydrophobicContact CG2-CD1 4.03Å; P416-I629 HydrophobicContact CB-CD1 3.97Å; P416-I629 HydrophobicContact CB-CG2 3.77Å; P416-I629 HydrophobicContact CG-CG2 4.47Å; I417-I629 HydrophobicContact CB-CD1 4.42Å; I417-I629 HydrophobicContact CB-CG1 3.95Å; I417-I629 HydrophobicContact CD1-CD1 4.31Å; I417-I629 HydrophobicContact CD1-CG1 3.8Å; I417-I629 HydrophobicContact CG1-CG1 4.43Å; V434-I629 PolarHBondContact O-N 2.85Å; A435-I629 HydrophobicContact CB-CB 4.13Å; A435-I629 HydrophobicContact CB-CG1 4.21Å; V627-I629 HydrophobicContact CG1-CD1 3.92Å
630	G	68.3	Low	79.5	Confident	6 Å²	6	39 Å²	39	6%	0.062	21%	0.207	C	C	.	.			trans	75.4	134.2	164.7	0	0	0	0	0	117	S378 A632 G633	S378-G630 WeakPolarHBondContact O-CA 3.45Å; S378-G630 PolarHBondContact O-N 3.01Å; G630-A632 PolarHBondContact O-N 3Å; G630-A632 VanDerWaalsContact O-N 3.1Å; G630-G633 PolarHBondContact O-N 2.82Å
631	S	51	Low	79.2	Confident	87 Å²	87	38.9 Å²	38.9	61%	0.608	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-62.1	-10.4	160.5	-48.3	0	0	0	0	112.6	G633 K634	S631-G633 PolarHBondContact O-N 2.68Å; S631-K634 PolarHBondContact O-N 3.07Å
632	A	49.6	Very low	78.9	Confident	60 Å²	60	42.5 Å²	42.5	50%	0.496	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-58.2	-14.7	173.1	0	0	0	0	0	114.4	G630 K634 R638	G630-A632 PolarHBondContact O-N 3Å; G630-A632 VanDerWaalsContact O-N 3.1Å; A632-K634 PolarHBondContact O-N 3.04Å; A632-K634 VanDerWaalsContact O-N 3.15Å; A632-R638 PolarHBondContact O-NE 3.18Å; A632-R638 PolarHBondContact O-NH2 3.14Å
633	G	51.8	Low	78.8	Confident	38 Å²	38	40.2 Å²	40.2	39%	0.392	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-65.1	2.9	167.1	0	0	0	0	0	115.1	G630 S631 P635	G630-G633 PolarHBondContact O-N 2.82Å; S631-G633 PolarHBondContact O-N 2.68Å; G633-P635 WeakPolarHBondContact O-CD 3.27Å
634	K	69.9	Low	78.9	Confident	77 Å²	77	39.2 Å²	39.2	34%	0.335	21%	0.212	S	C	.	.			trans	-100.4	80.5	160.1	-70.7	-172.6	168.5	-161.6	0	112.1	S631 A632 H636 E637 E785	S631-K634 PolarHBondContact O-N 3.07Å; A632-K634 PolarHBondContact O-N 3.04Å; A632-K634 VanDerWaalsContact O-N 3.15Å; K634-H636 PolarHBondContact O-N 3.2Å; K634-H636 VanDerWaalsContact O-N 3.13Å; K634-E637 HydrophobicContact CB-CB 4.31Å; K634-E637 HydrophobicContact CB-CG 3.97Å; K634-E637 HydrophobicContact CD-CG 3.78Å; K634-E637 WeakPolarHBondContact CD-OE1 3.44Å; K634-E637 WeakPolarHBondContact CE-OE1 3.18Å; K634-E637 IonicContact NZ-OE1 3.85Å; K634-E637 PolarHBondContact NZ-OE1 2.84Å; K634-E637 PolarHBondContact O-N 2.61Å; K634-E637 VanDerWaalsContact O-N 3.16Å; K634-E785 IonicContact NZ-OE2 2.71Å; K634-E785 PolarHBondContact NZ-OE2 2.96Å
635	P	70.5	Confident	78.8	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.013	22%	0.215	C	C	.	.	H	α-helix	trans	-45.7	-36.8	169.3	-32.2	32.8	0	0	0	115.4	G633 E637 R638 V639 I749 I752	G633-P635 WeakPolarHBondContact O-CD 3.27Å; P635-E637 VanDerWaalsContact C-N 3.34Å; P635-E637 PolarHBondContact O-N 2.83Å; P635-R638 WeakPolarHBondContact O-CG 3.28Å; P635-R638 PolarHBondContact O-N 3.19Å; P635-V639 WeakPolarHBondContact O-CB 3.47Å; P635-V639 VanDerWaalsContact O-CG2 3.32Å; P635-V639 WeakPolarHBondContact O-CG2 3.25Å; P635-V639 PolarHBondContact O-N 3.15Å; P635-I749 HydrophobicContact CB-CG2 4.12Å; P635-I749 HydrophobicContact CG-CG2 3.65Å; P635-I752 HydrophobicContact CB-CD1 4.31Å; P635-I752 HydrophobicContact CB-CG1 3.9Å
636	H	80.8	Confident	78.9	Confident	16 Å²	16	41.7 Å²	41.7	7%	0.074	22%	0.223	C	C	.	.	H	α-helix	trans	-63.7	-35.3	-178.6	62.9	-83	0	0	0	113.4	K634 R638 Q641 I749 I752 A782 E785 S786	K634-H636 PolarHBondContact O-N 3.2Å; K634-H636 VanDerWaalsContact O-N 3.13Å; H636-R638 PolarHBondContact O-N 3.08Å; H636-Q641 PolarHBondContact O-NE2 3.14Å; H636-I749 HydrophobicContact CB-CD1 3.65Å; H636-I749 WeakPolarHBondContact ND1-CD1 3.44Å; H636-I752 HydrophobicContact CB-CD1 4.07Å; H636-A782 HydrophobicContact CB-CB 4.02Å; H636-A782 WeakPolarHBondContact CB-O 3.48Å; H636-A782 PolarHBondContact CD2-O 3.35Å; H636-A782 VanDerWaalsContact CD2-O 3.24Å; H636-E785 IonicContact CD2-OE2 3.62Å; H636-E785 IonicContact CE1-OE2 3.76Å; H636-E785 IonicContact NE2-OE2 3.46Å; H636-E785 PolarHBondContact NE2-OE2 2.69Å; H636-S786 WeakPolarHBondContact O-CB 3.14Å; H636-S786 PolarHBondContact O-OG 3.26Å
637	E	79.3	Confident	79.3	Confident	70 Å²	70	42.3 Å²	42.3	33%	0.327	23%	0.229	S	C	.	.	H	α-helix	trans	-64.9	-23	178.2	-68.2	-173.7	170.3	0	0	112.8	K634 P635 P787	K634-E637 HydrophobicContact CB-CB 4.31Å; K634-E637 HydrophobicContact CB-CG 3.97Å; K634-E637 HydrophobicContact CD-CG 3.78Å; K634-E637 WeakPolarHBondContact CD-OE1 3.44Å; K634-E637 WeakPolarHBondContact CE-OE1 3.18Å; K634-E637 IonicContact NZ-OE1 3.85Å; K634-E637 PolarHBondContact NZ-OE1 2.84Å; K634-E637 PolarHBondContact O-N 2.61Å; K634-E637 VanDerWaalsContact O-N 3.16Å; P635-E637 VanDerWaalsContact C-N 3.34Å; P635-E637 PolarHBondContact O-N 2.83Å; E637-P787 VanDerWaalsContact O-CD 3.31Å; E637-P787 WeakPolarHBondContact O-CD 2.79Å
638	R	71.4	Confident	79.3	Confident	60 Å²	60	46.9 Å²	46.9	23%	0.226	25%	0.25	C	C	.	.	H	α-helix	trans	-119.4	-6.2	-171.2	60.9	175.1	165.9	83.6	3.8	116.6	A632 P635 H636 G756 S761	A632-R638 PolarHBondContact O-NE 3.18Å; A632-R638 PolarHBondContact O-NH2 3.14Å; P635-R638 WeakPolarHBondContact O-CG 3.28Å; P635-R638 PolarHBondContact O-N 3.19Å; H636-R638 PolarHBondContact O-N 3.08Å; R638-G756 PolarHBondContact NH1-O 2.89Å; R638-S761 PolarHBondContact O-OG 2.79Å; R638-S761 VanDerWaalsContact O-OG 3.12Å
639	V	81.9	Confident	79.8	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.265	C	S	.	.	S	Bend	trans	-107.3	136.5	177.9	175.4	0	0	0	0	110.4	P635 Q641 I752 T755 A764 S786 V788 S789	P635-V639 WeakPolarHBondContact O-CB 3.47Å; P635-V639 VanDerWaalsContact O-CG2 3.32Å; P635-V639 WeakPolarHBondContact O-CG2 3.25Å; P635-V639 PolarHBondContact O-N 3.15Å; V639-Q641 PolarHBondContact O-N 2.68Å; V639-Q641 VanDerWaalsContact O-N 3.15Å; V639-I752 HydrophobicContact CG1-CB 4.41Å; V639-T755 WeakPolarHBondContact CG1-OG1 3.42Å; V639-T755 WeakPolarHBondContact CG2-OG1 3.4Å; V639-A764 HydrophobicContact CG1-CB 3.74Å; V639-S786 PolarHBondContact O-OG 3.42Å; V639-V788 WeakPolarHBondContact O-CG2 3.35Å; V639-S789 PolarHBondContact O-OG 3.39Å
640	E	86.4	Confident	80.1	Confident	61 Å²	61	50 Å²	50	29%	0.285	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	104	176.7	-171.2	-165.3	-162.7	0	0	110.8	K642 S761 G762 V763 A764	E640-K642 WeakPolarHBondContact OE1-CE 3.32Å; E640-K642 IonicContact OE1-NZ 3.69Å; E640-K642 PolarHBondContact OE1-NZ 3.18Å; E640-K642 IonicContact OE2-NZ 3.91Å; E640-K642 PolarHBondContact OE2-NZ 2.98Å; E640-S761 PolarHBondContact N-OG 3.32Å; E640-G762 WeakPolarHBondContact CB-O 3.42Å; E640-G762 PolarHBondContact N-O 3.05Å; E640-V763 WeakPolarHBondContact O-CA 3.43Å; E640-V763 WeakPolarHBondContact OE2-CG2 3.41Å; E640-A764 PolarHBondContact O-N 3.11Å
641	Q	90.4	Very high	81.3	Confident	2 Å²	2	50 Å²	50	1%	0.009	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	129.6	-178.3	-64.6	161.3	95	0	0	111.4	H636 V639 Y748 I752 A764 A782 I783 S786 S789	H636-Q641 PolarHBondContact O-NE2 3.14Å; V639-Q641 PolarHBondContact O-N 2.68Å; V639-Q641 VanDerWaalsContact O-N 3.15Å; Q641-Y748 PolarHBondContact OE1-OH 3.4Å; Q641-I752 HydrophobicContact CG-CD1 4.14Å; Q641-A764 HydrophobicContact CG-CB 4.32Å; Q641-A782 PolarHBondContact NE2-O 2.84Å; Q641-A782 VanDerWaalsContact NE2-O 3.16Å; Q641-I783 HydrophobicContact CB-CD1 4.49Å; Q641-I783 HydrophobicContact CB-CG1 3.9Å; Q641-I783 HydrophobicContact CB-CG2 4.35Å; Q641-I783 HydrophobicContact CG-CG1 4.46Å; Q641-S786 VanDerWaalsContact NE2-CB 3.31Å; Q641-S786 PolarHBondContact NE2-OG 2.97Å; Q641-S789 PolarHBondContact N-OG 3.32Å
642	K	90.8	Very high	83.2	Confident	81 Å²	81	52.2 Å²	52.2	35%	0.352	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	119.8	177.4	-75	164.9	177	150.9	0	109.3	E640 V763 A764 I765 T766	E640-K642 WeakPolarHBondContact OE1-CE 3.32Å; E640-K642 IonicContact OE1-NZ 3.69Å; E640-K642 PolarHBondContact OE1-NZ 3.18Å; E640-K642 IonicContact OE2-NZ 3.91Å; E640-K642 PolarHBondContact OE2-NZ 2.98Å; K642-V763 HydrophobicContact CD-CG1 3.97Å; K642-A764 PolarHBondContact N-O 2.98Å; K642-I765 HydrophobicContact CB-CG1 4.38Å; K642-I765 CarbonylContact O-C 3.59Å; K642-I765 VanDerWaalsContact O-CA 3.3Å; K642-I765 WeakPolarHBondContact O-CA 3.46Å; K642-T766 PolarHBondContact O-N 3.36Å
643	V	93.1	Very high	85.3	Confident	7 Å²	7	57 Å²	57	4%	0.042	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	153.8	172.2	-60.1	0	0	0	0	111	L645 T766 L768 L779 I783 P792 L795	V643-L645 HydrophobicContact CG2-CD1 4.45Å; V643-T766 CarbonylContact C-O 3.59Å; V643-T766 VanDerWaalsContact CA-O 3.31Å; V643-T766 WeakPolarHBondContact CA-O 3.34Å; V643-L768 HydrophobicContact CB-CD1 3.93Å; V643-L768 HydrophobicContact CB-CG 4.42Å; V643-L768 HydrophobicContact CG1-CD1 3.96Å; V643-L768 HydrophobicContact CG1-CG 4.47Å; V643-L768 HydrophobicContact CG2-CD1 4.35Å; V643-L779 HydrophobicContact CG1-CD2 4.1Å; V643-I783 HydrophobicContact CG1-CD1 3.57Å; V643-P792 HydrophobicContact CG2-CG 3.27Å; V643-L795 HydrophobicContact CG1-CD2 4.32Å; V643-L795 HydrophobicContact CG2-CB 4.15Å; V643-L795 HydrophobicContact CG2-CD2 4.06Å
644	F	93.3	Very high	87.2	Confident	65 Å²	65	58.5 Å²	58.5	29%	0.285	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	118.3	167.1	-64.8	-70.5	0	0	0	108.6	M646 K654 I658 I765 T766 F767 L768	F644-M646 HydrophobicContact CB-CE 3.47Å; F644-M646 VanDerWaalsContact CB-CE 3.47Å; F644-M646 HydrophobicContact CG-CE 4.48Å; F644-K654 VanDerWaalsContact CD2-CE 3.47Å; F644-K654 VanDerWaalsContact CE2-CE 3.41Å; F644-I658 HydrophobicContact CE2-CD1 4.29Å; F644-I765 HydrophobicContact CD2-CG2 3.85Å; F644-I765 HydrophobicContact CE2-CG2 3.72Å; F644-T766 PolarHBondContact N-O 2.82Å; F644-F767 HydrophobicContact CB-CD1 4.49Å; F644-F767 HydrophobicContact CD2-CD1 4.3Å; F644-F767 HydrophobicContact CD2-CE1 4.19Å; F644-L768 PolarHBondContact O-N 3.12Å
645	L	91.8	Very high	88.4	Confident	55 Å²	55	54.9 Å²	54.9	29%	0.288	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	129.3	171.3	-83.6	68.3	0	0	0	110.1	V643 L768 E794 L795	V643-L645 HydrophobicContact CG2-CD1 4.45Å; L645-L768 HydrophobicContact CD1-CB 4.27Å; L645-L768 HydrophobicContact CD1-CD1 3.89Å; L645-L768 HydrophobicContact CG-CB 4.29Å; L645-E794 HydrophobicContact CD1-CB 4.47Å; L645-E794 HydrophobicContact CD1-CG 4.07Å; L645-E794 WeakPolarHBondContact CD1-OE1 3.39Å; L645-E794 HydrophobicContact CD2-CB 4.41Å; L645-E794 PolarHBondContact N-OE1 3.32Å; L645-L795 HydrophobicContact CD1-CB 4.24Å
646	M	93.1	Very high	89.5	Confident	33 Å²	33	56 Å²	56	16%	0.163	27%	0.266	C	S	.	.			trans	-158.4	178.9	-177.6	69	-173.7	75.7	0	0	113.4	F644 E650 K651 K654 F767 L768	F644-M646 HydrophobicContact CB-CE 3.47Å; F644-M646 VanDerWaalsContact CB-CE 3.47Å; F644-M646 HydrophobicContact CG-CE 4.48Å; M646-E650 HydrophobicContact CB-CB 4.27Å; M646-E650 HydrophobicContact SD-CB 4.33Å; M646-K651 HydrophobicContact CG-CG 4.32Å; M646-K651 VanDerWaalsContact SD-CA 3.55Å; M646-K651 HydrophobicContact SD-CB 4.19Å; M646-K651 HydrophobicContact SD-CG 3.73Å; M646-K654 HydrophobicContact CE-CB 4.21Å; M646-K654 HydrophobicContact CE-CG 3.9Å; M646-K654 HydrophobicContact SD-CB 4.31Å; M646-F767 HydrophobicContact CE-CB 3.78Å; M646-F767 HydrophobicContact CE-CD1 3.35Å; M646-F767 HydrophobicContact CE-CD2 4.35Å; M646-F767 HydrophobicContact CE-CE1 4Å; M646-F767 HydrophobicContact CE-CG 3.56Å; M646-F767 HydrophobicContact SD-CB 4.01Å; M646-F767 HydrophobicContact SD-CD1 4.29Å; M646-F767 HydrophobicContact SD-CD2 4.25Å; M646-F767 HydrophobicContact SD-CG 3.94Å; M646-L768 PolarHBondContact N-O 3.38Å
647	S	93.4	Very high	90	Very high	47 Å²	47	57.6 Å²	57.6	33%	0.329	28%	0.282	S	S	.	.			trans	-90.7	155.4	165.4	75.1	0	0	0	0	112.5	S649 E650	S647-S649 PolarHBondContact O-N 2.94Å; S647-S649 PolarHBondContact OG-OG 3.06Å; S647-E650 WeakPolarHBondContact CA-OE2 3.49Å; S647-E650 VanDerWaalsContact CB-OE2 3.27Å; S647-E650 WeakPolarHBondContact CB-OE2 3.23Å; S647-E650 PolarHBondContact N-OE2 3.38Å; S647-E650 WeakPolarHBondContact O-CB 3.4Å; S647-E650 PolarHBondContact O-N 3.46Å; S647-E650 VanDerWaalsContact OG-CD 3.3Å; S647-E650 PolarHBondContact OG-OE2 3.41Å
648	E	91.8	Very high	90.7	Very high	95 Å²	95	55.2 Å²	55.2	44%	0.444	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-33.2	179.1	-173.6	58.5	-143.1	0	0	113.8	E650 K651	E648-E650 VanDerWaalsContact C-N 3.28Å; E648-E650 PolarHBondContact O-N 3.16Å; E648-K651 IonicContact OE1-NZ 3.82Å; E648-K651 PolarHBondContact OE1-NZ 3.03Å; E648-K651 WeakPolarHBondContact OE2-CE 3.38Å; E648-K651 IonicContact OE2-NZ 3.65Å; E648-K651 PolarHBondContact OE2-NZ 3.41Å
649	S	91.5	Very high	91.7	Very high	96 Å²	96	52.5 Å²	52.5	67%	0.671	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-17.4	-178.7	72	0	0	0	0	114	S647	S647-S649 PolarHBondContact O-N 2.94Å; S647-S649 PolarHBondContact OG-OG 3.06Å
650	E	92.4	Very high	92.1	Very high	93 Å²	93	58.5 Å²	58.5	44%	0.435	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-27.5	-175.8	-67.8	165	125.5	0	0	112.6	M646 S647 E648 R652 K653 K654	M646-E650 HydrophobicContact CB-CB 4.27Å; M646-E650 HydrophobicContact SD-CB 4.33Å; S647-E650 WeakPolarHBondContact CA-OE2 3.49Å; S647-E650 VanDerWaalsContact CB-OE2 3.27Å; S647-E650 WeakPolarHBondContact CB-OE2 3.23Å; S647-E650 PolarHBondContact N-OE2 3.38Å; S647-E650 WeakPolarHBondContact O-CB 3.4Å; S647-E650 PolarHBondContact O-N 3.46Å; S647-E650 VanDerWaalsContact OG-CD 3.3Å; S647-E650 PolarHBondContact OG-OE2 3.41Å; E648-E650 VanDerWaalsContact C-N 3.28Å; E648-E650 PolarHBondContact O-N 3.16Å; E650-R652 PolarHBondContact O-N 3.42Å; E650-R652 VanDerWaalsContact O-N 3.1Å; E650-K653 PolarHBondContact O-N 2.99Å; E650-K654 PolarHBondContact O-N 3Å
651	K	93.6	Very high	92.1	Very high	4 Å²	4	63.7 Å²	63.7	2%	0.017	31%	0.314	C	S	.	.	H	α-helix	trans	-43.2	-47.7	178.4	-69.8	180	166.8	173.3	0	113.2	M646 E648 K653 K654 L655 Y739 D740 F767	M646-K651 HydrophobicContact CG-CG 4.32Å; M646-K651 VanDerWaalsContact SD-CA 3.55Å; M646-K651 HydrophobicContact SD-CB 4.19Å; M646-K651 HydrophobicContact SD-CG 3.73Å; E648-K651 IonicContact OE1-NZ 3.82Å; E648-K651 PolarHBondContact OE1-NZ 3.03Å; E648-K651 WeakPolarHBondContact OE2-CE 3.38Å; E648-K651 IonicContact OE2-NZ 3.65Å; E648-K651 PolarHBondContact OE2-NZ 3.41Å; K651-K653 PolarHBondContact O-N 3.46Å; K651-K654 PolarHBondContact O-N 3.16Å; K651-L655 WeakPolarHBondContact O-CB 3Å; K651-L655 PolarHBondContact O-N 2.93Å; K651-Y739 HydrophobicContact CB-CD2 4.37Å; K651-Y739 HydrophobicContact CB-CE1 3.98Å; K651-Y739 HydrophobicContact CB-CE2 3.72Å; K651-Y739 VanDerWaalsContact CB-CZ 3.47Å; K651-Y739 WeakPolarHBondContact CB-OH 3.49Å; K651-Y739 HydrophobicContact CD-CD1 4.09Å; K651-Y739 HydrophobicContact CD-CE1 3.73Å; K651-Y739 VanDerWaalsContact CD-O 3.26Å; K651-Y739 WeakPolarHBondContact CD-O 3.43Å; K651-Y739 WeakPolarHBondContact CE-O 2.96Å; K651-Y739 PolarHBondContact NZ-O 3.35Å; K651-D740 IonicContact NZ-OD1 3.5Å; K651-D740 PolarHBondContact NZ-OD1 3.31Å; K651-F767 HydrophobicContact CB-CD2 3.77Å; K651-F767 HydrophobicContact CB-CE2 4.18Å; K651-F767 HydrophobicContact CD-CD2 4.4Å; K651-F767 HydrophobicContact CG-CB 4.1Å; K651-F767 HydrophobicContact CG-CD2 3.74Å; K651-F767 HydrophobicContact CG-CG 4.31Å; K651-F767 WeakPolarHBondContact O-CE2 3.36Å
652	R	91.4	Very high	91.7	Very high	134 Å²	134	66 Å²	66	51%	0.506	34%	0.339	S	S	.	.	H	α-helix	trans	-64.4	-38.1	-179.5	-170.9	175.3	177	-135.6	-3.7	113.2	E650 L656 S683 Y739	E650-R652 PolarHBondContact O-N 3.42Å; E650-R652 VanDerWaalsContact O-N 3.1Å; R652-L656 WeakPolarHBondContact O-CG 3.3Å; R652-L656 PolarHBondContact O-N 3.38Å; R652-S683 PolarHBondContact NE-OG 3.18Å; R652-S683 PolarHBondContact NH2-OG 3.11Å; R652-Y739 PolarHBondContact N-OH 3.09Å
653	K	92.3	Very high	91.5	Very high	160 Å²	160	64.3 Å²	64.3	70%	0.696	33%	0.332	S	S	*	.	H	α-helix	trans	-72.4	-43	176.4	-64.8	-179.9	-178.3	174.5	0	110.8	E650 K651 L656 A657	E650-K653 PolarHBondContact O-N 2.99Å; K651-K653 PolarHBondContact O-N 3.46Å; K653-L656 PolarHBondContact O-N 2.68Å; K653-A657 PolarHBondContact O-N 2.81Å
654	K	93.1	Very high	91	Very high	70 Å²	70	69 Å²	69	30%	0.304	36%	0.356	S	S	.	.	H	α-helix	trans	-65.7	-38.5	179.8	-175.7	59.3	172.7	-178	0	111.9	F644 M646 E650 K651 I658 F767	F644-K654 VanDerWaalsContact CD2-CE 3.47Å; F644-K654 VanDerWaalsContact CE2-CE 3.41Å; M646-K654 HydrophobicContact CE-CB 4.21Å; M646-K654 HydrophobicContact CE-CG 3.9Å; M646-K654 HydrophobicContact SD-CB 4.31Å; E650-K654 PolarHBondContact O-N 3Å; K651-K654 PolarHBondContact O-N 3.16Å; K654-I658 HydrophobicContact CD-CD1 4.42Å; K654-I658 HydrophobicContact CG-CD1 4.15Å; K654-I658 WeakPolarHBondContact O-CD1 3.26Å; K654-I658 VanDerWaalsContact O-CG1 3.31Å; K654-I658 WeakPolarHBondContact O-CG1 3.37Å; K654-I658 PolarHBondContact O-N 3.23Å; K654-I658 VanDerWaalsContact O-N 3.11Å; K654-F767 HydrophobicContact CB-CE1 4.37Å; K654-F767 HydrophobicContact CB-CZ 4.14Å; K654-F767 HydrophobicContact CG-CD1 4.47Å; K654-F767 HydrophobicContact CG-CE1 3.72Å; K654-F767 HydrophobicContact CG-CZ 3.93Å
655	L	94.3	Very high	90.6	Very high	1 Å²	1	69.4 Å²	69.4	1%	0.005	37%	0.366	C	S	.	.	H	α-helix	trans	-59.5	-50.2	171.7	179.1	70	0	0	0	111.6	K651 A657 I658 L659 I669 L680 L684 V737 Y739 F767	K651-L655 WeakPolarHBondContact O-CB 3Å; K651-L655 PolarHBondContact O-N 2.93Å; L655-A657 VanDerWaalsContact C-N 3.34Å; L655-A657 PolarHBondContact O-N 2.6Å; L655-I658 WeakPolarHBondContact O-CB 3.21Å; L655-I658 PolarHBondContact O-N 3.41Å; L655-L659 HydrophobicContact CD1-CD1 4.33Å; L655-L659 HydrophobicContact CD1-CG 4.36Å; L655-L659 HydrophobicContact CD2-CD1 4.5Å; L655-L659 HydrophobicContact CG-CD1 4.05Å; L655-L659 HydrophobicContact CG-CG 4.41Å; L655-L659 WeakPolarHBondContact O-CG 3.47Å; L655-L659 PolarHBondContact O-N 3.05Å; L655-I669 HydrophobicContact CD1-CD1 3.88Å; L655-I669 HydrophobicContact CD2-CD1 4.11Å; L655-L680 HydrophobicContact CD2-CD1 3.88Å; L655-L680 HydrophobicContact CD2-CD2 4.41Å; L655-L680 HydrophobicContact CD2-CG 4.5Å; L655-L684 HydrophobicContact CD2-CD2 4.08Å; L655-V737 HydrophobicContact CD1-CG1 4.02Å; L655-Y739 HydrophobicContact CB-CD2 4.29Å; L655-Y739 HydrophobicContact CB-CE2 4.3Å; L655-Y739 HydrophobicContact CD2-CD2 3.94Å; L655-Y739 HydrophobicContact CD2-CE2 4.12Å; L655-F767 HydrophobicContact CB-CE2 4.08Å; L655-F767 HydrophobicContact CB-CZ 4.17Å
656	L	92.9	Very high	90.4	Very high	25 Å²	25	68.2 Å²	68.2	13%	0.131	36%	0.361	C	S	.	.	H	α-helix	trans	-60	-44.5	-179.5	-70.2	171.3	0	0	0	111.5	R652 K653 I658 L659 E660 L684 M687 Y689	R652-L656 WeakPolarHBondContact O-CG 3.3Å; R652-L656 PolarHBondContact O-N 3.38Å; K653-L656 PolarHBondContact O-N 2.68Å; L656-I658 PolarHBondContact O-N 3.11Å; L656-L659 PolarHBondContact O-N 3.3Å; L656-E660 WeakPolarHBondContact O-CB 3.22Å; L656-E660 VanDerWaalsContact O-CG 3.23Å; L656-E660 WeakPolarHBondContact O-CG 3.18Å; L656-E660 PolarHBondContact O-N 3.31Å; L656-L684 HydrophobicContact CD2-CD2 4.26Å; L656-M687 HydrophobicContact CD1-CE 4.23Å; L656-M687 HydrophobicContact CD2-CB 4.36Å; L656-M687 HydrophobicContact CD2-CE 4.25Å; L656-M687 HydrophobicContact CD2-CG 3.94Å; L656-Y689 HydrophobicContact CD2-CE2 4.47Å
657	A	92.3	Very high	90.3	Very high	50 Å²	50	66.6 Å²	66.6	41%	0.413	35%	0.353	S	S	.	.	H	α-helix	trans	-61.2	-27.8	174.9	0	0	0	0	0	114	K653 L655 Q661	K653-A657 PolarHBondContact O-N 2.81Å; L655-A657 VanDerWaalsContact C-N 3.34Å; L655-A657 PolarHBondContact O-N 2.6Å; A657-Q661 PolarHBondContact O-N 2.86Å
658	I	92.6	Very high	90.2	Very high	20 Å²	20	64.6 Å²	64.6	10%	0.103	34%	0.339	C	S	.	.	H	α-helix	trans	-75.6	-39.3	173	-71.9	160.2	0	0	0	111.1	F644 K654 L655 L656 Q661 M735 I765 F767	F644-I658 HydrophobicContact CE2-CD1 4.29Å; K654-I658 HydrophobicContact CD-CD1 4.42Å; K654-I658 HydrophobicContact CG-CD1 4.15Å; K654-I658 WeakPolarHBondContact O-CD1 3.26Å; K654-I658 VanDerWaalsContact O-CG1 3.31Å; K654-I658 WeakPolarHBondContact O-CG1 3.37Å; K654-I658 PolarHBondContact O-N 3.23Å; K654-I658 VanDerWaalsContact O-N 3.11Å; L655-I658 WeakPolarHBondContact O-CB 3.21Å; L655-I658 PolarHBondContact O-N 3.41Å; L656-I658 PolarHBondContact O-N 3.11Å; I658-Q661 VanDerWaalsContact O-CB 3.28Å; I658-Q661 WeakPolarHBondContact O-CB 3.45Å; I658-Q661 PolarHBondContact O-N 2.94Å; I658-M735 HydrophobicContact CG2-CE 4.09Å; I658-M735 HydrophobicContact CG2-SD 4.23Å; I658-I765 HydrophobicContact CD1-CD1 4.1Å; I658-I765 HydrophobicContact CD1-CG2 3.96Å; I658-I765 HydrophobicContact CG1-CD1 4.41Å; I658-I765 HydrophobicContact CG2-CD1 3.89Å; I658-F767 HydrophobicContact CD1-CE1 3.81Å; I658-F767 HydrophobicContact CD1-CZ 3.92Å
659	L	92.7	Very high	90.4	Very high	4 Å²	4	60 Å²	60	2%	0.021	32%	0.317	C	S	.	.	H	α-helix	trans	-72.9	-34.9	178.4	-60.3	175	0	0	0	111.9	L655 L656 Q661 G662 F663 I667 L684 Y689 I717	L655-L659 HydrophobicContact CD1-CD1 4.33Å; L655-L659 HydrophobicContact CD1-CG 4.36Å; L655-L659 HydrophobicContact CD2-CD1 4.5Å; L655-L659 HydrophobicContact CG-CD1 4.05Å; L655-L659 HydrophobicContact CG-CG 4.41Å; L655-L659 WeakPolarHBondContact O-CG 3.47Å; L655-L659 PolarHBondContact O-N 3.05Å; L656-L659 PolarHBondContact O-N 3.3Å; L659-Q661 PolarHBondContact O-N 3.37Å; L659-G662 PolarHBondContact O-N 3.46Å; L659-G662 VanDerWaalsContact O-N 3.07Å; L659-F663 HydrophobicContact CB-CD1 4.41Å; L659-F663 HydrophobicContact CB-CE1 4.14Å; L659-F663 HydrophobicContact CD2-CD1 3.75Å; L659-F663 HydrophobicContact CD2-CE1 3.6Å; L659-F663 HydrophobicContact CD2-CZ 4.29Å; L659-F663 HydrophobicContact CG-CE1 4.43Å; L659-I667 HydrophobicContact CD2-CD1 3.48Å; L659-I667 VanDerWaalsContact CD2-CD1 3.48Å; L659-L684 HydrophobicContact CD1-CD2 3.47Å; L659-L684 VanDerWaalsContact CD1-CD2 3.47Å; L659-Y689 VanDerWaalsContact C-OH 3.27Å; L659-Y689 HydrophobicContact CB-CE1 3.99Å; L659-Y689 HydrophobicContact CB-CE2 4.05Å; L659-Y689 WeakPolarHBondContact CB-OH 3.23Å; L659-Y689 HydrophobicContact CD1-CD2 4.31Å; L659-Y689 HydrophobicContact CD1-CE2 4.2Å; L659-Y689 PolarHBondContact O-OH 3.42Å; L659-I717 HydrophobicContact CD1-CD1 3.94Å; L659-I717 HydrophobicContact CD2-CD1 4.01Å
660	E	91.4	Very high	90.6	Very high	125 Å²	125	55.6 Å²	55.6	58%	0.584	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-20.8	174.3	-72.7	163.2	-159.7	0	0	113.1	L656 G662 Y689	L656-E660 WeakPolarHBondContact O-CB 3.22Å; L656-E660 VanDerWaalsContact O-CG 3.23Å; L656-E660 WeakPolarHBondContact O-CG 3.18Å; L656-E660 PolarHBondContact O-N 3.31Å; E660-G662 PolarHBondContact O-N 2.9Å; E660-Y689 PolarHBondContact N-OH 3.33Å
661	Q	85.3	Confident	90.7	Very high	170 Å²	170	51.3 Å²	51.3	79%	0.794	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-19.3	171	-164.4	80.6	56.5	0	0	112.4	A657 I658 L659	A657-Q661 PolarHBondContact O-N 2.86Å; I658-Q661 VanDerWaalsContact O-CB 3.28Å; I658-Q661 WeakPolarHBondContact O-CB 3.45Å; I658-Q661 PolarHBondContact O-N 2.94Å; L659-Q661 PolarHBondContact O-N 3.37Å
662	G	82.2	Confident	90.6	Very high	52 Å²	52	53.5 Å²	53.5	54%	0.536	28%	0.278	S	S	.	.			trans	88.2	149.3	-169.4	0	0	0	0	0	113	L659 E660	L659-G662 PolarHBondContact O-N 3.46Å; L659-G662 VanDerWaalsContact O-N 3.07Å; E660-G662 PolarHBondContact O-N 2.9Å
663	F	87.1	Confident	90.6	Very high	45 Å²	45	53.5 Å²	53.5	20%	0.197	28%	0.284	C	S	.	.			trans	-152.3	152	179.3	59.6	-89.7	0	0	0	110.9	L659 P665 I667 Y689 D716 I717 M735	L659-F663 HydrophobicContact CB-CD1 4.41Å; L659-F663 HydrophobicContact CB-CE1 4.14Å; L659-F663 HydrophobicContact CD2-CD1 3.75Å; L659-F663 HydrophobicContact CD2-CE1 3.6Å; L659-F663 HydrophobicContact CD2-CZ 4.29Å; L659-F663 HydrophobicContact CG-CE1 4.43Å; F663-P665 WeakPolarHBondContact O-CD 3.43Å; F663-I667 HydrophobicContact CB-CG2 4.27Å; F663-I667 HydrophobicContact CD1-CD1 4.32Å; F663-I667 HydrophobicContact CD2-CB 4.38Å; F663-I667 HydrophobicContact CD2-CD1 3.77Å; F663-I667 HydrophobicContact CD2-CG1 3.89Å; F663-I667 HydrophobicContact CD2-CG2 3.6Å; F663-I667 HydrophobicContact CE1-CD1 4.36Å; F663-I667 HydrophobicContact CE2-CD1 3.8Å; F663-I667 HydrophobicContact CE2-CG1 3.8Å; F663-I667 HydrophobicContact CE2-CG2 4.32Å; F663-I667 HydrophobicContact CG-CD1 4.04Å; F663-I667 HydrophobicContact CG-CG2 4.22Å; F663-I667 HydrophobicContact CZ-CD1 4.1Å; F663-I667 HydrophobicContact CZ-CG1 4.48Å; F663-Y689 HydrophobicContact CE1-CD1 4.15Å; F663-Y689 AromaticContact CE1-CE1 3.87Å; F663-Y689 HydrophobicContact CE1-CE1 3.87Å; F663-Y689 HydrophobicContact CZ-CD1 4.23Å; F663-Y689 HydrophobicContact CZ-CE1 4.39Å; F663-D716 HydrophobicContact CE2-CB 4.08Å; F663-D716 HydrophobicContact CZ-CB 4.28Å; F663-I717 HydrophobicContact CE1-CD1 4.39Å; F663-I717 HydrophobicContact CE2-CG1 4.12Å; F663-I717 HydrophobicContact CZ-CD1 3.85Å; F663-I717 HydrophobicContact CZ-CG1 3.79Å; F663-M735 HydrophobicContact CB-CE 3.92Å
664	D	83.5	Confident	90.5	Very high	104 Å²	104	50.7 Å²	50.7	56%	0.556	27%	0.271	S	S	*	.	P	Polyproline II helix	trans	-76.6	116.7	171	-79.7	-7.3	0	0	0	109.2	S734	D664-S734 WeakPolarHBondContact O-CB 3.23Å; D664-S734 PolarHBondContact O-OG 3.05Å
665	P	84.7	Confident	90.4	Very high	75 Å²	75	55.4 Å²	55.4	49%	0.487	29%	0.292	S	S	.	.	S	Bend	trans	-72.1	148.8	172.2	30.2	-34.1	0	0	0	111.3	F663 D716	F663-P665 WeakPolarHBondContact O-CD 3.43Å; P665-D716 HydrophobicContact CB-CB 4.06Å
666	P	87.5	Confident	90.1	Very high	29 Å²	29	56.7 Å²	56.7	19%	0.188	31%	0.305	C	S	.	.	P	Polyproline II helix	cis	-84.9	154.4	-2.1	34.5	-35	0	0	0	113.4	L710 D716 V733 S734	P666-L710 HydrophobicContact CB-CD1 3.66Å; P666-L710 HydrophobicContact CB-CD2 4.15Å; P666-L710 HydrophobicContact CB-CG 3.68Å; P666-L710 HydrophobicContact CG-CG 4.43Å; P666-D716 WeakPolarHBondContact CA-O 3.44Å; P666-V733 WeakPolarHBondContact O-CG1 3.32Å; P666-S734 PolarHBondContact O-N 2.9Å
667	I	90.8	Very high	90.1	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	154.6	169.3	63.1	165.9	0	0	0	112	L659 F663 D716 I717 L718 S734 M735	L659-I667 HydrophobicContact CD2-CD1 3.48Å; L659-I667 VanDerWaalsContact CD2-CD1 3.48Å; F663-I667 HydrophobicContact CB-CG2 4.27Å; F663-I667 HydrophobicContact CD1-CD1 4.32Å; F663-I667 HydrophobicContact CD2-CB 4.38Å; F663-I667 HydrophobicContact CD2-CD1 3.77Å; F663-I667 HydrophobicContact CD2-CG1 3.89Å; F663-I667 HydrophobicContact CD2-CG2 3.6Å; F663-I667 HydrophobicContact CE1-CD1 4.36Å; F663-I667 HydrophobicContact CE2-CD1 3.8Å; F663-I667 HydrophobicContact CE2-CG1 3.8Å; F663-I667 HydrophobicContact CE2-CG2 4.32Å; F663-I667 HydrophobicContact CG-CD1 4.04Å; F663-I667 HydrophobicContact CG-CG2 4.22Å; F663-I667 HydrophobicContact CZ-CD1 4.1Å; F663-I667 HydrophobicContact CZ-CG1 4.48Å; I667-D716 PolarHBondContact N-O 3.1Å; I667-I717 HydrophobicContact CD1-CD1 4.21Å; I667-I717 HydrophobicContact CD1-CG1 3.98Å; I667-I717 HydrophobicContact CD1-CG2 4.33Å; I667-I717 HydrophobicContact CG1-CB 4.24Å; I667-I717 HydrophobicContact CG1-CG1 3.88Å; I667-I717 HydrophobicContact CG1-CG2 4.15Å; I667-L718 PolarHBondContact O-N 2.95Å; I667-S734 WeakPolarHBondContact CG2-OG 3.3Å; I667-M735 WeakPolarHBondContact CA-O 3.4Å; I667-M735 WeakPolarHBondContact CB-O 3.38Å; I667-M735 HydrophobicContact CD1-CE 4.04Å; I667-M735 HydrophobicContact CG2-CB 3.91Å; I667-M735 HydrophobicContact CG2-CE 4.14Å
668	I	91.7	Very high	90.1	Very high	4 Å²	4	55 Å²	55	2%	0.021	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	134	174.6	-58	-178.5	0	0	0	110.6	F670 L718 A720 I730 V733 M735 V736 V737 R754	I668-F670 HydrophobicContact CB-CE2 4.38Å; I668-F670 HydrophobicContact CG2-CD2 3.83Å; I668-F670 HydrophobicContact CG2-CE1 4.34Å; I668-F670 HydrophobicContact CG2-CE2 3.52Å; I668-F670 HydrophobicContact CG2-CG 4.38Å; I668-F670 HydrophobicContact CG2-CZ 3.8Å; I668-L718 CarbonylContact C-O 3.5Å; I668-L718 WeakPolarHBondContact CA-O 3.4Å; I668-L718 HydrophobicContact CD1-CD2 4.34Å; I668-L718 HydrophobicContact CG1-CB 4.26Å; I668-L718 HydrophobicContact CG1-CD2 4.31Å; I668-A720 HydrophobicContact CG2-CB 4.38Å; I668-I730 HydrophobicContact CD1-CD1 3.94Å; I668-V733 HydrophobicContact CB-CG1 4.45Å; I668-V733 HydrophobicContact CD1-CG2 3.71Å; I668-V733 HydrophobicContact CG1-CG1 3.97Å; I668-V733 HydrophobicContact CG1-CG2 3.95Å; I668-M735 PolarHBondContact N-O 2.81Å; I668-V736 HydrophobicContact CB-CG2 4.26Å; I668-V736 CarbonylContact O-C 3.6Å; I668-V736 WeakPolarHBondContact O-CA 3.19Å; I668-V737 PolarHBondContact O-N 2.89Å; I668-R754 HydrophobicContact CD1-CB 4.26Å
669	I	94.9	Very high	90.1	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	115.3	172.9	-53.5	178.4	0	0	0	109.2	L655 L680 L684 I717 L718 V719 A720 V737	L655-I669 HydrophobicContact CD1-CD1 3.88Å; L655-I669 HydrophobicContact CD2-CD1 4.11Å; I669-L680 HydrophobicContact CG2-CD2 3.89Å; I669-L684 HydrophobicContact CD1-CD1 3.76Å; I669-I717 HydrophobicContact CD1-CG2 3.45Å; I669-I717 VanDerWaalsContact CD1-CG2 3.45Å; I669-I717 HydrophobicContact CG1-CG2 3.82Å; I669-L718 PolarHBondContact N-O 2.9Å; I669-V719 HydrophobicContact CB-CG2 4.49Å; I669-V719 CarbonylContact O-C 3.46Å; I669-V719 WeakPolarHBondContact O-CA 3.44Å; I669-A720 PolarHBondContact O-N 3.28Å; I669-V737 CarbonylContact C-O 3.58Å; I669-V737 VanDerWaalsContact CA-O 3.31Å; I669-V737 WeakPolarHBondContact CA-O 3.43Å; I669-V737 HydrophobicContact CG1-CB 4.3Å; I669-V737 HydrophobicContact CG2-CB 4.47Å
670	F	95.4	Very high	90.2	Very high	3 Å²	3	59.3 Å²	59.3	1%	0.013	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	135.7	179.1	-78	-75.1	0	0	0	112.8	I668 A720 V736 V737 Y739 D740 R751 R754	I668-F670 HydrophobicContact CB-CE2 4.38Å; I668-F670 HydrophobicContact CG2-CD2 3.83Å; I668-F670 HydrophobicContact CG2-CE1 4.34Å; I668-F670 HydrophobicContact CG2-CE2 3.52Å; I668-F670 HydrophobicContact CG2-CG 4.38Å; I668-F670 HydrophobicContact CG2-CZ 3.8Å; F670-A720 WeakPolarHBondContact CA-O 3.45Å; F670-A720 HydrophobicContact CD1-CB 4.28Å; F670-A720 HydrophobicContact CE1-CB 4.13Å; F670-V736 HydrophobicContact CD2-CG1 3.94Å; F670-V736 HydrophobicContact CE2-CG1 4.22Å; F670-V736 HydrophobicContact CE2-CG2 4.42Å; F670-V737 PolarHBondContact N-O 2.71Å; F670-Y739 WeakPolarHBondContact O-CB 3.5Å; F670-Y739 PolarHBondContact O-N 3.33Å; F670-D740 PolarHBondContact O-N 3.39Å; F670-R751 HydrophobicContact CB-CG 4.49Å; F670-R751 HydrophobicContact CD1-CG 3.97Å; F670-R751 HydrophobicContact CD2-CB 3.75Å; F670-R751 HydrophobicContact CD2-CG 3.66Å; F670-R751 HydrophobicContact CE1-CG 4.04Å; F670-R751 HydrophobicContact CE2-CB 3.67Å; F670-R751 HydrophobicContact CE2-CG 3.73Å; F670-R751 HydrophobicContact CG-CB 4.37Å; F670-R751 HydrophobicContact CG-CG 3.78Å; F670-R751 HydrophobicContact CZ-CB 4.24Å; F670-R751 HydrophobicContact CZ-CG 3.92Å; F670-R754 HydrophobicContact CE2-CG 4.45Å; F670-R754 HydrophobicContact CZ-CG 4.33Å
671	V	95.1	Very high	90.3	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.012	29%	0.291	C	S	.	.			trans	-136.3	147.7	176.1	-69.6	0	0	0	0	110.5	Q673 C677 L680 V719 A720 T721 Y739 D740	V671-Q673 PolarHBondContact O-N 3.37Å; V671-C677 HydrophobicContact CG2-CB 3.76Å; V671-L680 HydrophobicContact CG1-CD2 3.74Å; V671-V719 HydrophobicContact CG2-CG1 4.16Å; V671-A720 WeakPolarHBondContact CG2-O 3.48Å; V671-A720 PolarHBondContact N-O 2.91Å; V671-T721 HydrophobicContact CG2-CG2 4.35Å; V671-T721 WeakPolarHBondContact O-CA 3.28Å; V671-Y739 HydrophobicContact CG1-CD1 3.89Å; V671-Y739 HydrophobicContact CG1-CG 4.17Å; V671-D740 WeakPolarHBondContact CA-OD2 3.46Å; V671-D740 WeakPolarHBondContact CB-OD2 3.28Å
672	N	91.9	Very high	90.6	Very high	50 Å²	50	51.9 Å²	51.9	27%	0.267	28%	0.281	S	S	.	.	S	Bend	trans	-79.3	-18.2	-170.3	-71.2	-10.3	0	0	0	113.7	D740 M741 R751	N672-D740 HydrophobicContact CB-CB 4.1Å; N672-D740 VanDerWaalsContact CG-CB 3.49Å; N672-D740 PolarHBondContact N-OD2 3Å; N672-M741 PolarHBondContact ND2-O 3.19Å; N672-M741 PolarHBondContact OD1-O 2.87Å; N672-R751 PolarHBondContact OD1-NH2 3.37Å
673	Q	90.4	Very high	91.1	Very high	134 Å²	134	50 Å²	50	63%	0.626	26%	0.259	S	S	*	.	S	Bend	trans	-129	141.7	-177.9	-66.5	-160.4	18	0	0	114.2	V671 K675 G676 C677	V671-Q673 PolarHBondContact O-N 3.37Å; Q673-K675 VanDerWaalsContact C-N 3.27Å; Q673-K675 PolarHBondContact O-N 3.03Å; Q673-G676 WeakPolarHBondContact O-CA 3.49Å; Q673-G676 PolarHBondContact O-N 3.24Å; Q673-C677 PolarHBondContact O-N 3.03Å; Q673-C677 VanDerWaalsContact O-N 3.13Å
674	K	90.6	Very high	91.5	Very high	101 Å²	101	47.9 Å²	47.9	44%	0.439	25%	0.25	S	S	.	.	H	α-helix	trans	-53.1	-40.8	177.2	-53.1	-174.1	-174.1	175.4	0	112.5	G676 C677 D678 H695 G696 T721	K674-G676 PolarHBondContact O-N 3.5Å; K674-C677 WeakPolarHBondContact O-CB 3.37Å; K674-C677 PolarHBondContact O-N 2.96Å; K674-D678 PolarHBondContact O-N 3.35Å; K674-H695 HydrophobicContact CB-CB 4.38Å; K674-H695 HydrophobicContact CG-CB 4.21Å; K674-G696 PolarHBondContact NZ-O 3.02Å; K674-T721 HydrophobicContact CG-CG2 4.48Å
675	K	90.4	Very high	91.9	Very high	169 Å²	169	48.1 Å²	48.1	74%	0.735	25%	0.248	S	C	*	.	H	α-helix	trans	-63.4	-38.5	175.8	-68.8	-178.5	179.3	176.5	0	112.7	Q673 C677 V679	Q673-K675 VanDerWaalsContact C-N 3.27Å; Q673-K675 PolarHBondContact O-N 3.03Å; K675-C677 VanDerWaalsContact C-N 3.35Å; K675-V679 VanDerWaalsContact O-CG2 3.31Å; K675-V679 WeakPolarHBondContact O-CG2 3.14Å; K675-V679 PolarHBondContact O-N 3.36Å
676	G	89.4	Confident	92.3	Very high	28 Å²	28	53.4 Å²	53.4	29%	0.289	26%	0.263	S	S	.	.	H	α-helix	trans	-63.5	-40.9	175.2	0	0	0	0	0	111.8	Q673 K674 V679 L680	Q673-G676 WeakPolarHBondContact O-CA 3.49Å; Q673-G676 PolarHBondContact O-N 3.24Å; K674-G676 PolarHBondContact O-N 3.5Å; G676-V679 PolarHBondContact O-N 2.97Å; G676-L680 VanDerWaalsContact O-CB 3.23Å; G676-L680 WeakPolarHBondContact O-CB 3.28Å; G676-L680 PolarHBondContact O-N 3.07Å
677	C	91.5	Very high	92.3	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-57	-53.3	177.9	-178.9	0	0	0	0	112.4	V671 Q673 K674 K675 V679 A681 V719 T721	V671-C677 HydrophobicContact CG2-CB 3.76Å; Q673-C677 PolarHBondContact O-N 3.03Å; Q673-C677 VanDerWaalsContact O-N 3.13Å; K674-C677 WeakPolarHBondContact O-CB 3.37Å; K674-C677 PolarHBondContact O-N 2.96Å; K675-C677 VanDerWaalsContact C-N 3.35Å; C677-V679 PolarHBondContact O-N 3.16Å; C677-A681 WeakPolarHBondContact O-CB 3.23Å; C677-A681 PolarHBondContact O-N 2.69Å; C677-A681 VanDerWaalsContact O-N 3.1Å; C677-V719 HydrophobicContact CB-CG1 4.31Å; C677-V719 PolarHBondContact SG-O 2.88Å; C677-T721 HydrophobicContact CB-CG2 4.24Å
678	D	91.9	Very high	92.3	Very high	39 Å²	39	59.7 Å²	59.7	21%	0.209	31%	0.308	C	S	.	.	H	α-helix	trans	-68.3	-31.6	-179.9	-70.2	-54.8	0	0	0	113	K674 K682 H695 K698	K674-D678 PolarHBondContact O-N 3.35Å; D678-K682 WeakPolarHBondContact O-CB 3.39Å; D678-K682 VanDerWaalsContact O-CD 3.28Å; D678-K682 WeakPolarHBondContact O-CD 3.37Å; D678-K682 WeakPolarHBondContact O-CG 3.39Å; D678-K682 PolarHBondContact O-N 2.81Å; D678-H695 IonicContact OD1-CD2 2.82Å; D678-H695 IonicContact OD1-NE2 3.35Å; D678-H695 PolarHBondContact OD1-NE2 2.97Å; D678-H695 IonicContact OD2-CD2 3.91Å; D678-H695 IonicContact OD2-CE1 3.79Å; D678-H695 IonicContact OD2-NE2 2.7Å; D678-H695 PolarHBondContact OD2-NE2 3.32Å; D678-K698 IonicContact OD1-NZ 3.32Å; D678-K698 PolarHBondContact OD1-NZ 3.22Å
679	V	94	Very high	92.4	Very high	104 Å²	104	61.7 Å²	61.7	63%	0.63	32%	0.315	S	S	*	.	H	α-helix	trans	-75.1	-42.2	177.4	171.4	0	0	0	0	111.8	K675 G676 C677 K682 S683	K675-V679 VanDerWaalsContact O-CG2 3.31Å; K675-V679 WeakPolarHBondContact O-CG2 3.14Å; K675-V679 PolarHBondContact O-N 3.36Å; G676-V679 PolarHBondContact O-N 2.97Å; C677-V679 PolarHBondContact O-N 3.16Å; V679-K682 PolarHBondContact O-N 3.38Å; V679-S683 PolarHBondContact O-N 2.83Å
680	L	93.9	Very high	92.3	Very high	11 Å²	11	65.3 Å²	65.3	6%	0.058	34%	0.335	C	S	.	.	H	α-helix	trans	-67.8	-46.6	-179.1	-176.1	57.5	0	0	0	111.3	L655 I669 V671 G676 K682 S683 L684 V719 Y739	L655-L680 HydrophobicContact CD2-CD1 3.88Å; L655-L680 HydrophobicContact CD2-CD2 4.41Å; L655-L680 HydrophobicContact CD2-CG 4.5Å; I669-L680 HydrophobicContact CG2-CD2 3.89Å; V671-L680 HydrophobicContact CG1-CD2 3.74Å; G676-L680 VanDerWaalsContact O-CB 3.23Å; G676-L680 WeakPolarHBondContact O-CB 3.28Å; G676-L680 PolarHBondContact O-N 3.07Å; L680-K682 VanDerWaalsContact C-N 3.34Å; L680-K682 PolarHBondContact O-N 2.89Å; L680-S683 WeakPolarHBondContact O-CA 3.46Å; L680-S683 VanDerWaalsContact O-CB 3.29Å; L680-S683 WeakPolarHBondContact O-CB 3.29Å; L680-S683 PolarHBondContact O-N 2.86Å; L680-L684 HydrophobicContact CG-CD1 4.44Å; L680-L684 WeakPolarHBondContact O-CG 3.33Å; L680-L684 PolarHBondContact O-N 3.48Å; L680-V719 HydrophobicContact CB-CG1 4.38Å; L680-V719 HydrophobicContact CD2-CG1 4.21Å; L680-Y739 HydrophobicContact CD1-CD2 4.43Å; L680-Y739 HydrophobicContact CD1-CE2 4.04Å; L680-Y739 HydrophobicContact CD2-CD1 4.23Å; L680-Y739 HydrophobicContact CD2-CD2 3.86Å; L680-Y739 HydrophobicContact CD2-CE2 4.21Å; L680-Y739 HydrophobicContact CD2-CG 3.86Å
681	A	93.1	Very high	92.1	Very high	6 Å²	6	65.4 Å²	65.4	5%	0.05	34%	0.336	C	S	.	.	H	α-helix	trans	-60.8	-41.7	176.2	0	0	0	0	0	112.4	C677 S683 L684 E685 A691 T693 V719	C677-A681 WeakPolarHBondContact O-CB 3.23Å; C677-A681 PolarHBondContact O-N 2.69Å; C677-A681 VanDerWaalsContact O-N 3.1Å; A681-S683 PolarHBondContact O-N 3.2Å; A681-L684 PolarHBondContact O-N 2.88Å; A681-E685 WeakPolarHBondContact O-CB 3.39Å; A681-E685 PolarHBondContact O-N 3.48Å; A681-A691 HydrophobicContact CB-CB 4.19Å; A681-T693 HydrophobicContact CB-CG2 3.18Å; A681-V719 HydrophobicContact CB-CB 4.29Å; A681-V719 HydrophobicContact CB-CG2 3.9Å
682	K	93.2	Very high	91.9	Very high	134 Å²	134	66.1 Å²	66.1	58%	0.583	34%	0.341	S	S	*	.	H	α-helix	trans	-63.8	-24.7	172.8	-73.5	172.7	-173.5	174.3	0	113.3	D678 V679 L680 K686	D678-K682 WeakPolarHBondContact O-CB 3.39Å; D678-K682 VanDerWaalsContact O-CD 3.28Å; D678-K682 WeakPolarHBondContact O-CD 3.37Å; D678-K682 WeakPolarHBondContact O-CG 3.39Å; D678-K682 PolarHBondContact O-N 2.81Å; V679-K682 PolarHBondContact O-N 3.38Å; L680-K682 VanDerWaalsContact C-N 3.34Å; L680-K682 PolarHBondContact O-N 2.89Å; K682-K686 WeakPolarHBondContact O-CB 3.31Å; K682-K686 VanDerWaalsContact O-CG 3.25Å; K682-K686 WeakPolarHBondContact O-CG 3.19Å; K682-K686 PolarHBondContact O-N 3.25Å
683	S	92.4	Very high	91.9	Very high	12 Å²	12	65.2 Å²	65.2	8%	0.084	34%	0.338	C	S	.	.	H	α-helix	trans	-75.4	-36.2	170	-178.6	0	0	0	0	112.2	R652 V679 L680 A681 M687	R652-S683 PolarHBondContact NE-OG 3.18Å; R652-S683 PolarHBondContact NH2-OG 3.11Å; V679-S683 PolarHBondContact O-N 2.83Å; L680-S683 WeakPolarHBondContact O-CA 3.46Å; L680-S683 VanDerWaalsContact O-CB 3.29Å; L680-S683 WeakPolarHBondContact O-CB 3.29Å; L680-S683 PolarHBondContact O-N 2.86Å; A681-S683 PolarHBondContact O-N 3.2Å; S683-M687 VanDerWaalsContact O-CG 3.28Å; S683-M687 WeakPolarHBondContact O-CG 3.28Å; S683-M687 PolarHBondContact O-N 2.95Å
684	L	94	Very high	91.8	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-73.2	-42.9	-179.8	-67.3	173.5	0	0	0	111.3	L655 L656 L659 I669 L680 A681 K686 M687 G688 Y689 A691 I717 V719	L655-L684 HydrophobicContact CD2-CD2 4.08Å; L656-L684 HydrophobicContact CD2-CD2 4.26Å; L659-L684 HydrophobicContact CD1-CD2 3.47Å; L659-L684 VanDerWaalsContact CD1-CD2 3.47Å; I669-L684 HydrophobicContact CD1-CD1 3.76Å; L680-L684 HydrophobicContact CG-CD1 4.44Å; L680-L684 WeakPolarHBondContact O-CG 3.33Å; L680-L684 PolarHBondContact O-N 3.48Å; A681-L684 PolarHBondContact O-N 2.88Å; L684-K686 VanDerWaalsContact C-N 3.29Å; L684-K686 PolarHBondContact O-N 2.86Å; L684-M687 CarbonylContact O-C 3.55Å; L684-M687 WeakPolarHBondContact O-CA 3.47Å; L684-M687 WeakPolarHBondContact O-CB 3.49Å; L684-M687 PolarHBondContact O-N 3.43Å; L684-G688 PolarHBondContact O-N 3.48Å; L684-Y689 HydrophobicContact CD2-CD2 4.38Å; L684-Y689 PolarHBondContact O-N 3.48Å; L684-A691 HydrophobicContact CB-CB 3.97Å; L684-A691 HydrophobicContact CD1-CB 4.49Å; L684-I717 HydrophobicContact CD1-CD1 4.34Å; L684-I717 HydrophobicContact CD1-CG2 4.14Å; L684-V719 HydrophobicContact CD1-CG2 4.01Å
685	E	92.9	Very high	91.6	Very high	109 Å²	109	55.3 Å²	55.3	51%	0.509	29%	0.293	S	S	.	.	H	α-helix	trans	-64.4	-34.1	176.2	-160.5	162.6	-122.7	0	0	111.7	A681 M687 G688 Y689 K715	A681-E685 WeakPolarHBondContact O-CB 3.39Å; A681-E685 PolarHBondContact O-N 3.48Å; E685-M687 VanDerWaalsContact C-N 3.27Å; E685-M687 PolarHBondContact O-N 3.27Å; E685-G688 PolarHBondContact O-N 3.02Å; E685-G688 VanDerWaalsContact O-N 3.17Å; E685-Y689 WeakPolarHBondContact CA-O 3.47Å; E685-K715 IonicContact OE1-NZ 3.89Å; E685-K715 PolarHBondContact OE1-NZ 3.24Å
686	K	92.3	Very high	91	Very high	186 Å²	186	48.6 Å²	48.6	81%	0.809	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-19.6	169.3	-81.7	-178	176.8	-171.4	0	114.9	K682 L684	K682-K686 WeakPolarHBondContact O-CB 3.31Å; K682-K686 VanDerWaalsContact O-CG 3.25Å; K682-K686 WeakPolarHBondContact O-CG 3.19Å; K682-K686 PolarHBondContact O-N 3.25Å; L684-K686 VanDerWaalsContact C-N 3.29Å; L684-K686 PolarHBondContact O-N 2.86Å
687	M	87.7	Confident	90.5	Very high	98 Å²	98	49.6 Å²	49.6	48%	0.483	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	3.5	174.2	-65.9	-67.9	-61.5	0	0	112	L656 S683 L684 E685 Y689	L656-M687 HydrophobicContact CD1-CE 4.23Å; L656-M687 HydrophobicContact CD2-CB 4.36Å; L656-M687 HydrophobicContact CD2-CE 4.25Å; L656-M687 HydrophobicContact CD2-CG 3.94Å; S683-M687 VanDerWaalsContact O-CG 3.28Å; S683-M687 WeakPolarHBondContact O-CG 3.28Å; S683-M687 PolarHBondContact O-N 2.95Å; L684-M687 CarbonylContact O-C 3.55Å; L684-M687 WeakPolarHBondContact O-CA 3.47Å; L684-M687 WeakPolarHBondContact O-CB 3.49Å; L684-M687 PolarHBondContact O-N 3.43Å; E685-M687 VanDerWaalsContact C-N 3.27Å; E685-M687 PolarHBondContact O-N 3.27Å; M687-Y689 HydrophobicContact CB-CD2 4.06Å; M687-Y689 HydrophobicContact CB-CE2 4.31Å
688	G	90.9	Very high	89.9	Confident	62 Å²	62	51.4 Å²	51.4	64%	0.639	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.6	5	178.8	0	0	0	0	0	115.6	L684 E685	L684-G688 PolarHBondContact O-N 3.48Å; E685-G688 PolarHBondContact O-N 3.02Å; E685-G688 VanDerWaalsContact O-N 3.17Å
689	Y	93.6	Very high	89.3	Confident	46 Å²	46	51.5 Å²	51.5	18%	0.18	30%	0.3	C	S	.	.			trans	-87	137.2	178	-67.6	-75.2	0	0	0	112.4	L656 L659 E660 F663 L684 E685 M687 A691 I717	L656-Y689 HydrophobicContact CD2-CE2 4.47Å; L659-Y689 VanDerWaalsContact C-OH 3.27Å; L659-Y689 HydrophobicContact CB-CE1 3.99Å; L659-Y689 HydrophobicContact CB-CE2 4.05Å; L659-Y689 WeakPolarHBondContact CB-OH 3.23Å; L659-Y689 HydrophobicContact CD1-CD2 4.31Å; L659-Y689 HydrophobicContact CD1-CE2 4.2Å; L659-Y689 PolarHBondContact O-OH 3.42Å; E660-Y689 PolarHBondContact N-OH 3.33Å; F663-Y689 HydrophobicContact CE1-CD1 4.15Å; F663-Y689 AromaticContact CE1-CE1 3.87Å; F663-Y689 HydrophobicContact CE1-CE1 3.87Å; F663-Y689 HydrophobicContact CZ-CD1 4.23Å; F663-Y689 HydrophobicContact CZ-CE1 4.39Å; L684-Y689 HydrophobicContact CD2-CD2 4.38Å; L684-Y689 PolarHBondContact O-N 3.48Å; E685-Y689 WeakPolarHBondContact CA-O 3.47Å; M687-Y689 HydrophobicContact CB-CD2 4.06Å; M687-Y689 HydrophobicContact CB-CE2 4.31Å; Y689-A691 VanDerWaalsContact C-N 3.28Å; Y689-A691 PolarHBondContact O-N 3.5Å; Y689-I717 HydrophobicContact CD1-CD1 4.1Å; Y689-I717 HydrophobicContact CG-CD1 4.04Å
690	N	92.6	Very high	88.2	Confident	76 Å²	76	51.5 Å²	51.5	41%	0.406	29%	0.293	S	S	.	.			trans	-77.8	74.5	-178.2	-56.2	-60.8	0	0	0	111.4	K715 D716 I717	N690-K715 VanDerWaalsContact C-CD 3.49Å; N690-K715 HydrophobicContact CB-CD 4.01Å; N690-K715 CarbonylContact O-C 3.53Å; N690-K715 WeakPolarHBondContact O-CA 3.35Å; N690-K715 VanDerWaalsContact O-CD 3.27Å; N690-K715 WeakPolarHBondContact O-CD 3.35Å; N690-D716 VanDerWaalsContact CB-OD2 3.29Å; N690-D716 WeakPolarHBondContact CB-OD2 3.49Å; N690-D716 PolarHBondContact ND2-OD2 3.39Å; N690-D716 PolarHBondContact O-N 2.75Å; N690-I717 PolarHBondContact O-N 3.49Å
691	A	92.7	Very high	87.4	Confident	6 Å²	6	58.8 Å²	58.8	5%	0.05	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	145.7	-175.7	0	0	0	0	0	114.1	A681 L684 Y689 K715 I717	A681-A691 HydrophobicContact CB-CB 4.19Å; L684-A691 HydrophobicContact CB-CB 3.97Å; L684-A691 HydrophobicContact CD1-CB 4.49Å; Y689-A691 VanDerWaalsContact C-N 3.28Å; Y689-A691 PolarHBondContact O-N 3.5Å; A691-K715 WeakPolarHBondContact O-CD 3.47Å; A691-K715 WeakPolarHBondContact O-CE 3.41Å; A691-K715 PolarHBondContact O-NZ 2.9Å; A691-I717 CarbonylContact C-O 3.56Å; A691-I717 WeakPolarHBondContact CA-O 3.3Å; A691-I717 HydrophobicContact CB-CB 4.47Å
692	C	91	Very high	86.8	Confident	17 Å²	17	64 Å²	64	12%	0.115	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	158.4	170.4	-104.2	0	0	0	0	110.7	A706 I717 L718 V719	C692-A706 HydrophobicContact CB-CB 4.37Å; C692-I717 PolarHBondContact N-O 3.37Å; C692-L718 HydrophobicContact CB-CD1 4Å; C692-V719 PolarHBondContact O-N 2.95Å
693	T	91.7	Very high	86.1	Confident	31 Å²	31	60.6 Å²	60.6	19%	0.19	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	128.9	179	45.3	0	0	0	0	111.4	A681 K698 V719	A681-T693 HydrophobicContact CB-CG2 3.18Å; T693-K698 WeakPolarHBondContact O-CE 3.29Å; T693-K698 WeakPolarHBondContact OG1-CE 3.2Å; T693-K698 PolarHBondContact OG1-NZ 3.19Å; T693-V719 WeakPolarHBondContact CA-O 3.23Å
694	L	87.4	Confident	85.5	Confident	1 Å²	1	65 Å²	65	1%	0.005	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	108.3	-178.6	-175.7	136.7	0	0	0	111.1	R703 L707 L718 V719 A720 T721 A724 I728	L694-R703 HydrophobicContact CD1-CB 4.18Å; L694-R703 HydrophobicContact CD1-CG 4.36Å; L694-L707 HydrophobicContact CD1-CD1 4.46Å; L694-L707 HydrophobicContact CD1-CD2 4.1Å; L694-L707 HydrophobicContact CD1-CG 4.15Å; L694-L718 HydrophobicContact CB-CD1 3.73Å; L694-L718 HydrophobicContact CB-CG 4.44Å; L694-V719 PolarHBondContact N-O 3.11Å; L694-A720 HydrophobicContact CD2-CB 4.36Å; L694-A720 VanDerWaalsContact O-CA 3.24Å; L694-A720 WeakPolarHBondContact O-CA 3.3Å; L694-T721 PolarHBondContact O-N 3.04Å; L694-A724 HydrophobicContact CD2-CB 3.53Å; L694-A724 WeakPolarHBondContact CD2-O 3.15Å; L694-A724 HydrophobicContact CG-CB 4.37Å; L694-I728 HydrophobicContact CD1-CD1 3.65Å; L694-I728 HydrophobicContact CD2-CD1 3.47Å; L694-I728 VanDerWaalsContact CD2-CD1 3.47Å; L694-I728 HydrophobicContact CG-CD1 4.17Å
695	H	87.8	Confident	85	Confident	26 Å²	26	71.8 Å²	71.8	12%	0.12	38%	0.383	C	S	.	.			trans	-148.3	162.7	-176.4	60.7	84.4	0	0	0	110.3	K674 D678 G697 K698 T721	K674-H695 HydrophobicContact CB-CB 4.38Å; K674-H695 HydrophobicContact CG-CB 4.21Å; D678-H695 IonicContact OD1-CD2 2.82Å; D678-H695 IonicContact OD1-NE2 3.35Å; D678-H695 PolarHBondContact OD1-NE2 2.97Å; D678-H695 IonicContact OD2-CD2 3.91Å; D678-H695 IonicContact OD2-CE1 3.79Å; D678-H695 IonicContact OD2-NE2 2.7Å; D678-H695 PolarHBondContact OD2-NE2 3.32Å; H695-G697 WeakPolarHBondContact ND1-CA 3.47Å; H695-G697 PolarHBondContact ND1-N 2.83Å; H695-G697 VanDerWaalsContact ND1-N 3.13Å; H695-G697 PolarHBondContact O-N 2.61Å; H695-K698 PolarHBondContact NE2-NZ 2.96Å; H695-K698 VanDerWaalsContact NE2-NZ 3.15Å; H695-K698 PolarHBondContact O-N 3.5Å; H695-T721 HydrophobicContact CB-CG2 4.02Å
696	G	76.2	Confident	84.6	Confident	27 Å²	27	66.9 Å²	66.9	28%	0.278	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	34.2	178.9	0	0	0	0	0	115	K674	K674-G696 PolarHBondContact NZ-O 3.02Å
697	G	78.6	Confident	84.1	Confident	50 Å²	50	59.8 Å²	59.8	52%	0.515	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.8	-1.7	165.7	0	0	0	0	0	112.9	H695	H695-G697 WeakPolarHBondContact ND1-CA 3.47Å; H695-G697 PolarHBondContact ND1-N 2.83Å; H695-G697 VanDerWaalsContact ND1-N 3.13Å; H695-G697 PolarHBondContact O-N 2.61Å
698	K	80.4	Confident	83.8	Confident	37 Å²	37	58.8 Å²	58.8	16%	0.161	33%	0.334	C	S	.	.	S	Bend	trans	-82.7	137.6	167.7	-54.5	-57	-165.5	-162.3	0	110.1	D678 T693 H695 Q702 R703	D678-K698 IonicContact OD1-NZ 3.32Å; D678-K698 PolarHBondContact OD1-NZ 3.22Å; T693-K698 WeakPolarHBondContact O-CE 3.29Å; T693-K698 WeakPolarHBondContact OG1-CE 3.2Å; T693-K698 PolarHBondContact OG1-NZ 3.19Å; H695-K698 PolarHBondContact NE2-NZ 2.96Å; H695-K698 VanDerWaalsContact NE2-NZ 3.15Å; H695-K698 PolarHBondContact O-N 3.5Å; K698-Q702 HydrophobicContact CB-CB 4.27Å; K698-R703 HydrophobicContact CB-CG 4.14Å; K698-R703 PolarHBondContact O-NE 3.42Å; K698-R703 PolarHBondContact O-NH2 2.86Å; K698-R703 VanDerWaalsContact O-NH2 3.09Å
699	G	78.1	Confident	83.6	Confident	41 Å²	41	57.7 Å²	57.7	42%	0.423	31%	0.313	S	S	.	.			trans	-68.1	164.3	169	0	0	0	0	0	112.1	Q702 R703	G699-Q702 WeakPolarHBondContact O-CB 3.44Å; G699-Q702 PolarHBondContact O-N 2.85Å; G699-R703 WeakPolarHBondContact O-CG 3.47Å; G699-R703 PolarHBondContact O-N 3.3Å
700	Q	71.1	Confident	83.1	Confident	105 Å²	105	55.8 Å²	55.8	49%	0.491	31%	0.306	S	S	.	.	H	α-helix	trans	-61.8	-50	-170.6	-176.2	60.8	15.1	0	0	112.9	Q702 R703 E704	Q700-Q702 PolarHBondContact O-N 3.05Å; Q700-Q702 VanDerWaalsContact O-N 3.15Å; Q700-R703 WeakPolarHBondContact O-CA 3.32Å; Q700-R703 WeakPolarHBondContact O-CB 3.46Å; Q700-R703 PolarHBondContact O-N 3.26Å; Q700-E704 VanDerWaalsContact CG-OE1 3.27Å; Q700-E704 WeakPolarHBondContact CG-OE1 3.48Å; Q700-E704 PolarHBondContact NE2-OE1 2.96Å; Q700-E704 PolarHBondContact O-N 3.03Å
701	E	77.4	Confident	82.4	Confident	164 Å²	164	58.1 Å²	58.1	77%	0.766	31%	0.313	S	S	*	.	H	α-helix	trans	-52.5	-37.9	174.9	-59.1	174	163.2	0	0	112.7	F705	E701-F705 WeakPolarHBondContact O-CB 3.46Å; E701-F705 PolarHBondContact O-N 2.88Å
702	Q	79.8	Confident	81.9	Confident	114 Å²	114	61.6 Å²	61.6	53%	0.533	34%	0.342	S	S	.	.	H	α-helix	trans	-72	-29.2	179	-64.4	179.4	-10.1	0	0	112.6	K698 G699 Q700 A706	K698-Q702 HydrophobicContact CB-CB 4.27Å; G699-Q702 WeakPolarHBondContact O-CB 3.44Å; G699-Q702 PolarHBondContact O-N 2.85Å; Q700-Q702 PolarHBondContact O-N 3.05Å; Q700-Q702 VanDerWaalsContact O-N 3.15Å; Q702-A706 WeakPolarHBondContact O-CB 3.49Å; Q702-A706 PolarHBondContact O-N 3.2Å; Q702-A706 VanDerWaalsContact O-N 3.13Å
703	R	79.5	Confident	81.4	Confident	64 Å²	64	63.4 Å²	63.4	24%	0.242	36%	0.363	C	S	.	.	H	α-helix	trans	-70.8	-51.6	172.6	-60.4	170.8	-166.1	-169.8	3.5	109.4	L694 K698 G699 Q700 F705 A706 L707	L694-R703 HydrophobicContact CD1-CB 4.18Å; L694-R703 HydrophobicContact CD1-CG 4.36Å; K698-R703 HydrophobicContact CB-CG 4.14Å; K698-R703 PolarHBondContact O-NE 3.42Å; K698-R703 PolarHBondContact O-NH2 2.86Å; K698-R703 VanDerWaalsContact O-NH2 3.09Å; G699-R703 WeakPolarHBondContact O-CG 3.47Å; G699-R703 PolarHBondContact O-N 3.3Å; Q700-R703 WeakPolarHBondContact O-CA 3.32Å; Q700-R703 WeakPolarHBondContact O-CB 3.46Å; Q700-R703 PolarHBondContact O-N 3.26Å; R703-F705 VanDerWaalsContact C-N 3.32Å; R703-F705 PolarHBondContact O-N 2.76Å; R703-A706 PolarHBondContact O-N 2.91Å; R703-A706 VanDerWaalsContact O-N 3.11Å; R703-L707 WeakPolarHBondContact O-CB 3.37Å; R703-L707 VanDerWaalsContact O-CG 3.23Å; R703-L707 WeakPolarHBondContact O-CG 3.49Å; R703-L707 PolarHBondContact O-N 2.97Å
704	E	80.6	Confident	81.2	Confident	104 Å²	104	64.5 Å²	64.5	49%	0.486	38%	0.375	S	S	.	.	H	α-helix	trans	-59.1	-42.6	179	-71.3	167.8	-163.1	0	0	111.9	Q700 L707 S708	Q700-E704 VanDerWaalsContact CG-OE1 3.27Å; Q700-E704 WeakPolarHBondContact CG-OE1 3.48Å; Q700-E704 PolarHBondContact NE2-OE1 2.96Å; Q700-E704 PolarHBondContact O-N 3.03Å; E704-L707 PolarHBondContact O-N 3.07Å; E704-S708 VanDerWaalsContact O-CB 3.23Å; E704-S708 WeakPolarHBondContact O-CB 3.49Å; E704-S708 PolarHBondContact O-N 2.6Å
705	F	83.1	Confident	81.3	Confident	144 Å²	144	66.5 Å²	66.5	63%	0.632	38%	0.384	S	S	*	.	H	α-helix	trans	-60.8	-46.4	172.6	-178.5	-102.2	0	0	0	112.3	E701 R703 L707 S708 N709	E701-F705 WeakPolarHBondContact O-CB 3.46Å; E701-F705 PolarHBondContact O-N 2.88Å; R703-F705 VanDerWaalsContact C-N 3.32Å; R703-F705 PolarHBondContact O-N 2.76Å; F705-L707 VanDerWaalsContact C-N 3.34Å; F705-L707 PolarHBondContact O-N 3.2Å; F705-S708 PolarHBondContact O-N 3.02Å; F705-N709 VanDerWaalsContact CE1-ND2 3.33Å; F705-N709 WeakPolarHBondContact CE1-ND2 3.37Å; F705-N709 VanDerWaalsContact CE2-ND2 3.32Å; F705-N709 WeakPolarHBondContact CE2-ND2 3.48Å; F705-N709 WeakPolarHBondContact CZ-ND2 3.38Å; F705-N709 PolarHBondContact O-N 2.93Å; F705-N709 PolarHBondContact O-ND2 3.5Å
706	A	84.4	Confident	81.4	Confident	5 Å²	5	66.8 Å²	66.8	4%	0.041	39%	0.386	C	S	.	.	H	α-helix	trans	-62.1	-41.2	177.8	0	0	0	0	0	112.3	C692 Q702 R703 L710	C692-A706 HydrophobicContact CB-CB 4.37Å; Q702-A706 WeakPolarHBondContact O-CB 3.49Å; Q702-A706 PolarHBondContact O-N 3.2Å; Q702-A706 VanDerWaalsContact O-N 3.13Å; R703-A706 PolarHBondContact O-N 2.91Å; R703-A706 VanDerWaalsContact O-N 3.11Å; A706-L710 WeakPolarHBondContact O-CB 3.32Å; A706-L710 PolarHBondContact O-N 2.83Å; A706-L710 VanDerWaalsContact O-N 3.09Å
707	L	81.2	Confident	82.2	Confident	37 Å²	37	65.5 Å²	65.5	19%	0.194	37%	0.373	C	S	.	.	H	α-helix	trans	-70.9	-38.7	178.9	-64.9	169.7	0	0	0	112.4	L694 R703 E704 F705 L710 K711 L718 I728 I730	L694-L707 HydrophobicContact CD1-CD1 4.46Å; L694-L707 HydrophobicContact CD1-CD2 4.1Å; L694-L707 HydrophobicContact CD1-CG 4.15Å; R703-L707 WeakPolarHBondContact O-CB 3.37Å; R703-L707 VanDerWaalsContact O-CG 3.23Å; R703-L707 WeakPolarHBondContact O-CG 3.49Å; R703-L707 PolarHBondContact O-N 2.97Å; E704-L707 PolarHBondContact O-N 3.07Å; F705-L707 VanDerWaalsContact C-N 3.34Å; F705-L707 PolarHBondContact O-N 3.2Å; L707-L710 WeakPolarHBondContact O-CB 3.27Å; L707-L710 PolarHBondContact O-N 2.9Å; L707-K711 VanDerWaalsContact O-CB 3.26Å; L707-K711 WeakPolarHBondContact O-CB 3.49Å; L707-K711 PolarHBondContact O-N 3.5Å; L707-L718 HydrophobicContact CD2-CD2 4.43Å; L707-I728 HydrophobicContact CD1-CD1 4.25Å; L707-I728 HydrophobicContact CD1-CG2 3.52Å; L707-I728 HydrophobicContact CD2-CD1 4.46Å; L707-I728 HydrophobicContact CD2-CG2 3.78Å; L707-I728 HydrophobicContact CG-CG2 4.3Å; L707-I730 HydrophobicContact CD2-CD1 3.7Å; L707-I730 HydrophobicContact CD2-CG1 3.94Å
708	S	82.4	Confident	82.9	Confident	77 Å²	77	63.2 Å²	63.2	54%	0.538	35%	0.349	S	S	.	.	H	α-helix	trans	-63.1	-44.9	175.5	-173.3	0	0	0	0	111.3	E704 F705 L710 K711 A712	E704-S708 VanDerWaalsContact O-CB 3.23Å; E704-S708 WeakPolarHBondContact O-CB 3.49Å; E704-S708 PolarHBondContact O-N 2.6Å; F705-S708 PolarHBondContact O-N 3.02Å; S708-L710 PolarHBondContact O-N 3.46Å; S708-K711 PolarHBondContact O-N 2.84Å; S708-A712 VanDerWaalsContact O-CB 3.25Å; S708-A712 WeakPolarHBondContact O-CB 3.16Å; S708-A712 PolarHBondContact O-N 3.26Å
709	N	85.9	Confident	83.5	Confident	39 Å²	39	61.4 Å²	61.4	21%	0.209	34%	0.341	C	S	.	.	H	α-helix	trans	-64.4	-37.6	175.1	-76.3	-76.7	0	0	0	112.9	F705 G713 A714 K715	F705-N709 VanDerWaalsContact CE1-ND2 3.33Å; F705-N709 WeakPolarHBondContact CE1-ND2 3.37Å; F705-N709 VanDerWaalsContact CE2-ND2 3.32Å; F705-N709 WeakPolarHBondContact CE2-ND2 3.48Å; F705-N709 WeakPolarHBondContact CZ-ND2 3.38Å; F705-N709 PolarHBondContact O-N 2.93Å; F705-N709 PolarHBondContact O-ND2 3.5Å; N709-G713 PolarHBondContact O-N 3.32Å; N709-A714 HydrophobicContact CB-CB 4.26Å; N709-A714 PolarHBondContact O-N 3.12Å; N709-K715 HydrophobicContact CB-CB 4.31Å; N709-K715 HydrophobicContact CB-CG 4Å; N709-K715 PolarHBondContact O-N 3.31Å
710	L	83.3	Confident	84.1	Confident	7 Å²	7	59.5 Å²	59.5	4%	0.037	32%	0.322	C	S	.	.	H	α-helix	trans	-63.4	-46.4	174	-166.1	79.5	0	0	0	111	P666 A706 L707 S708 A712 G713 L718 I730	P666-L710 HydrophobicContact CB-CD1 3.66Å; P666-L710 HydrophobicContact CB-CD2 4.15Å; P666-L710 HydrophobicContact CB-CG 3.68Å; P666-L710 HydrophobicContact CG-CG 4.43Å; A706-L710 WeakPolarHBondContact O-CB 3.32Å; A706-L710 PolarHBondContact O-N 2.83Å; A706-L710 VanDerWaalsContact O-N 3.09Å; L707-L710 WeakPolarHBondContact O-CB 3.27Å; L707-L710 PolarHBondContact O-N 2.9Å; S708-L710 PolarHBondContact O-N 3.46Å; L710-A712 VanDerWaalsContact C-N 3.31Å; L710-A712 PolarHBondContact O-N 3.12Å; L710-G713 PolarHBondContact O-N 2.9Å; L710-L718 HydrophobicContact CD1-CB 4.08Å; L710-L718 HydrophobicContact CD2-CB 4.12Å; L710-L718 HydrophobicContact CD2-CD2 4.13Å; L710-I730 HydrophobicContact CD2-CG2 3.95Å
711	K	78.6	Confident	85.1	Confident	124 Å²	124	54.9 Å²	54.9	54%	0.539	30%	0.3	S	S	.	.	H	α-helix	trans	-70.2	-24.4	-179.9	-163.8	165.9	-170.6	164.8	0	113.4	L707 S708	L707-K711 VanDerWaalsContact O-CB 3.26Å; L707-K711 WeakPolarHBondContact O-CB 3.49Å; L707-K711 PolarHBondContact O-N 3.5Å; S708-K711 PolarHBondContact O-N 2.84Å
712	A	81.6	Confident	85.2	Confident	80 Å²	80	48 Å²	48	66%	0.661	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-2.7	173.9	0	0	0	0	0	113.9	S708 L710 A714	S708-A712 VanDerWaalsContact O-CB 3.25Å; S708-A712 WeakPolarHBondContact O-CB 3.16Å; S708-A712 PolarHBondContact O-N 3.26Å; L710-A712 VanDerWaalsContact C-N 3.31Å; L710-A712 PolarHBondContact O-N 3.12Å; A712-A714 VanDerWaalsContact C-N 3.26Å; A712-A714 PolarHBondContact O-N 2.98Å
713	G	80.4	Confident	84.6	Confident	54 Å²	54	48.2 Å²	48.2	56%	0.557	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	18.7	-176	0	0	0	0	0	114.5	N709 L710	N709-G713 PolarHBondContact O-N 3.32Å; L710-G713 PolarHBondContact O-N 2.9Å
714	A	87.6	Confident	83.7	Confident	55 Å²	55	45.5 Å²	45.5	46%	0.455	27%	0.269	S	S	.	.	S	Bend	trans	-86.3	-14.1	175	0	0	0	0	0	112.9	N709 A712	N709-A714 HydrophobicContact CB-CB 4.26Å; N709-A714 PolarHBondContact O-N 3.12Å; A712-A714 VanDerWaalsContact C-N 3.26Å; A712-A714 PolarHBondContact O-N 2.98Å
715	K	89.6	Confident	82.5	Confident	42 Å²	42	41 Å²	41	18%	0.183	25%	0.25	C	C	.	.			trans	-137.4	135.2	174.9	-75	-78.6	-178	176.9	0	108.2	E685 N690 A691 N709	E685-K715 IonicContact OE1-NZ 3.89Å; E685-K715 PolarHBondContact OE1-NZ 3.24Å; N690-K715 VanDerWaalsContact C-CD 3.49Å; N690-K715 HydrophobicContact CB-CD 4.01Å; N690-K715 CarbonylContact O-C 3.53Å; N690-K715 WeakPolarHBondContact O-CA 3.35Å; N690-K715 VanDerWaalsContact O-CD 3.27Å; N690-K715 WeakPolarHBondContact O-CD 3.35Å; A691-K715 WeakPolarHBondContact O-CD 3.47Å; A691-K715 WeakPolarHBondContact O-CE 3.41Å; A691-K715 PolarHBondContact O-NZ 2.9Å; N709-K715 HydrophobicContact CB-CB 4.31Å; N709-K715 HydrophobicContact CB-CG 4Å; N709-K715 PolarHBondContact O-N 3.31Å
716	D	89.9	Confident	81.5	Confident	32 Å²	32	37.8 Å²	37.8	17%	0.171	23%	0.234	C	C	.	.			trans	-99.8	-29	-169.3	-55.3	-50	0	0	0	112.9	F663 P665 P666 I667 N690	F663-D716 HydrophobicContact CE2-CB 4.08Å; F663-D716 HydrophobicContact CZ-CB 4.28Å; P665-D716 HydrophobicContact CB-CB 4.06Å; P666-D716 WeakPolarHBondContact CA-O 3.44Å; I667-D716 PolarHBondContact N-O 3.1Å; N690-D716 VanDerWaalsContact CB-OD2 3.29Å; N690-D716 WeakPolarHBondContact CB-OD2 3.49Å; N690-D716 PolarHBondContact ND2-OD2 3.39Å; N690-D716 PolarHBondContact O-N 2.75Å
717	I	93.4	Very high	79.9	Confident	0 Å²	0	39 Å²	39	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	122.9	-170.8	-51.7	-174.5	0	0	0	110	L659 F663 I667 I669 L684 Y689 N690 A691 C692 V719	L659-I717 HydrophobicContact CD1-CD1 3.94Å; L659-I717 HydrophobicContact CD2-CD1 4.01Å; F663-I717 HydrophobicContact CE1-CD1 4.39Å; F663-I717 HydrophobicContact CE2-CG1 4.12Å; F663-I717 HydrophobicContact CZ-CD1 3.85Å; F663-I717 HydrophobicContact CZ-CG1 3.79Å; I667-I717 HydrophobicContact CD1-CD1 4.21Å; I667-I717 HydrophobicContact CD1-CG1 3.98Å; I667-I717 HydrophobicContact CD1-CG2 4.33Å; I667-I717 HydrophobicContact CG1-CB 4.24Å; I667-I717 HydrophobicContact CG1-CG1 3.88Å; I667-I717 HydrophobicContact CG1-CG2 4.15Å; I669-I717 HydrophobicContact CD1-CG2 3.45Å; I669-I717 VanDerWaalsContact CD1-CG2 3.45Å; I669-I717 HydrophobicContact CG1-CG2 3.82Å; L684-I717 HydrophobicContact CD1-CD1 4.34Å; L684-I717 HydrophobicContact CD1-CG2 4.14Å; Y689-I717 HydrophobicContact CD1-CD1 4.1Å; Y689-I717 HydrophobicContact CG-CD1 4.04Å; N690-I717 PolarHBondContact O-N 3.49Å; A691-I717 CarbonylContact C-O 3.56Å; A691-I717 WeakPolarHBondContact CA-O 3.3Å; A691-I717 HydrophobicContact CB-CB 4.47Å; C692-I717 PolarHBondContact N-O 3.37Å; I717-V719 HydrophobicContact CG2-CG2 4.36Å
718	L	92.1	Very high	78.9	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.01	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	113	169.5	-176.1	65.7	0	0	0	110.5	I667 I668 I669 C692 L694 L707 L710 I730	I667-L718 PolarHBondContact O-N 2.95Å; I668-L718 CarbonylContact C-O 3.5Å; I668-L718 WeakPolarHBondContact CA-O 3.4Å; I668-L718 HydrophobicContact CD1-CD2 4.34Å; I668-L718 HydrophobicContact CG1-CB 4.26Å; I668-L718 HydrophobicContact CG1-CD2 4.31Å; I669-L718 PolarHBondContact N-O 2.9Å; C692-L718 HydrophobicContact CB-CD1 4Å; L694-L718 HydrophobicContact CB-CD1 3.73Å; L694-L718 HydrophobicContact CB-CG 4.44Å; L707-L718 HydrophobicContact CD2-CD2 4.43Å; L710-L718 HydrophobicContact CD1-CB 4.08Å; L710-L718 HydrophobicContact CD2-CB 4.12Å; L710-L718 HydrophobicContact CD2-CD2 4.13Å; L718-I730 HydrophobicContact CD2-CD1 3.58Å
719	V	93.6	Very high	77.7	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	126.2	169.8	-169.7	0	0	0	0	108.9	I669 V671 C677 L680 A681 L684 C692 T693 L694 I717	I669-V719 HydrophobicContact CB-CG2 4.49Å; I669-V719 CarbonylContact O-C 3.46Å; I669-V719 WeakPolarHBondContact O-CA 3.44Å; V671-V719 HydrophobicContact CG2-CG1 4.16Å; C677-V719 HydrophobicContact CB-CG1 4.31Å; C677-V719 PolarHBondContact SG-O 2.88Å; L680-V719 HydrophobicContact CB-CG1 4.38Å; L680-V719 HydrophobicContact CD2-CG1 4.21Å; A681-V719 HydrophobicContact CB-CB 4.29Å; A681-V719 HydrophobicContact CB-CG2 3.9Å; L684-V719 HydrophobicContact CD1-CG2 4.01Å; C692-V719 PolarHBondContact O-N 2.95Å; T693-V719 WeakPolarHBondContact CA-O 3.23Å; L694-V719 PolarHBondContact N-O 3.11Å; I717-V719 HydrophobicContact CG2-CG2 4.36Å
720	A	91.7	Very high	76.6	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.008	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	160.7	-170.5	0	0	0	0	0	115.5	I668 I669 F670 V671 L694	I668-A720 HydrophobicContact CG2-CB 4.38Å; I669-A720 PolarHBondContact O-N 3.28Å; F670-A720 WeakPolarHBondContact CA-O 3.45Å; F670-A720 HydrophobicContact CD1-CB 4.28Å; F670-A720 HydrophobicContact CE1-CB 4.13Å; V671-A720 WeakPolarHBondContact CG2-O 3.48Å; V671-A720 PolarHBondContact N-O 2.91Å; L694-A720 HydrophobicContact CD2-CB 4.36Å; L694-A720 VanDerWaalsContact O-CA 3.24Å; L694-A720 WeakPolarHBondContact O-CA 3.3Å
721	T	91.2	Very high	75.2	Confident	7 Å²	7	46.4 Å²	46.4	4%	0.043	28%	0.276	C	S	.	.			trans	-114.8	148.9	172	60.5	0	0	0	0	110.9	V671 K674 C677 L694 H695 V723 A724 G725	V671-T721 HydrophobicContact CG2-CG2 4.35Å; V671-T721 WeakPolarHBondContact O-CA 3.28Å; K674-T721 HydrophobicContact CG-CG2 4.48Å; C677-T721 HydrophobicContact CB-CG2 4.24Å; L694-T721 PolarHBondContact O-N 3.04Å; H695-T721 HydrophobicContact CB-CG2 4.02Å; T721-V723 VanDerWaalsContact C-N 3.34Å; T721-V723 PolarHBondContact O-N 2.97Å; T721-V723 VanDerWaalsContact O-N 3.14Å; T721-A724 WeakPolarHBondContact O-CA 3.43Å; T721-A724 PolarHBondContact O-N 3.1Å; T721-G725 PolarHBondContact O-N 3.28Å
722	D	79.9	Confident	74.6	Confident	20 Å²	20	43.7 Å²	43.7	11%	0.107	27%	0.267	C	S	.	.	H	α-helix	trans	-46.1	-48.2	-175	-59	-84.2	0	0	0	115.4	A724 G725 R726 R751	D722-A724 PolarHBondContact O-N 3.03Å; D722-A724 VanDerWaalsContact O-N 3.12Å; D722-G725 PolarHBondContact O-N 2.8Å; D722-R726 PolarHBondContact O-N 3.19Å; D722-R726 VanDerWaalsContact O-N 3.1Å; D722-R751 VanDerWaalsContact CG-NH2 3.29Å; D722-R751 IonicContact OD1-CZ 2.61Å; D722-R751 VanDerWaalsContact OD1-CZ 3.29Å; D722-R751 IonicContact OD1-NE 4Å; D722-R751 PolarHBondContact OD1-NE 2.94Å; D722-R751 IonicContact OD1-NH2 2.68Å; D722-R751 PolarHBondContact OD1-NH2 2.94Å; D722-R751 IonicContact OD2-CZ 2.68Å; D722-R751 IonicContact OD2-NE 3.14Å; D722-R751 IonicContact OD2-NH2 2.81Å; D722-R751 PolarHBondContact OD2-NH2 3.08Å
723	V	67.1	Low	74.4	Confident	119 Å²	119	40.1 Å²	40.1	72%	0.721	24%	0.237	S	C	*	.	H	α-helix	trans	-59.6	-23	-179.2	-178.8	0	0	0	0	112.7	T721	T721-V723 VanDerWaalsContact C-N 3.34Å; T721-V723 PolarHBondContact O-N 2.97Å; T721-V723 VanDerWaalsContact O-N 3.14Å
724	A	60.6	Low	74.5	Confident	7 Å²	7	39 Å²	39	6%	0.058	22%	0.221	C	C	.	.	H	α-helix	trans	-108.5	-24	179.1	0	0	0	0	0	113	L694 T721 D722 I728	L694-A724 HydrophobicContact CD2-CB 3.53Å; L694-A724 WeakPolarHBondContact CD2-O 3.15Å; L694-A724 HydrophobicContact CG-CB 4.37Å; T721-A724 WeakPolarHBondContact O-CA 3.43Å; T721-A724 PolarHBondContact O-N 3.1Å; D722-A724 PolarHBondContact O-N 3.03Å; D722-A724 VanDerWaalsContact O-N 3.12Å; A724-I728 WeakPolarHBondContact O-CD1 3.34Å; A724-I728 WeakPolarHBondContact O-CG1 3.46Å
725	G	55.3	Low	74.6	Confident	8 Å²	8	37.2 Å²	37.2	8%	0.082	20%	0.204	C	C	.	.	H	α-helix	trans	-79.2	-24.4	176.2	0	0	0	0	0	114.4	T721 D722	T721-G725 PolarHBondContact O-N 3.28Å; D722-G725 PolarHBondContact O-N 2.8Å
726	R	61.8	Low	74.7	Confident	77 Å²	77	35.2 Å²	35.2	29%	0.291	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	140.3	169.7	-78.9	-173.8	-98.6	-145.9	-9	110.4	D722 I728 D747	D722-R726 PolarHBondContact O-N 3.19Å; D722-R726 VanDerWaalsContact O-N 3.1Å; R726-I728 PolarHBondContact O-N 3.15Å; R726-D747 IonicContact CZ-OD1 2.69Å; R726-D747 IonicContact CZ-OD2 3.99Å; R726-D747 IonicContact NH1-OD1 2.82Å; R726-D747 PolarHBondContact NH1-OD1 3.33Å; R726-D747 IonicContact NH2-OD1 2.74Å; R726-D747 PolarHBondContact NH2-OD1 3.1Å; R726-D747 IonicContact NH2-OD2 3.38Å; R726-D747 PolarHBondContact NH2-OD2 3.24Å
727	G	50.3	Low	75	Confident	30 Å²	30	33.7 Å²	33.7	31%	0.309	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	4.2	175.6	0	0	0	0	0	117	Q483	Q483-G727 PolarHBondContact NE2-O 3.3Å
728	I	61	Low	75.1	Confident	29 Å²	29	33.7 Å²	33.7	15%	0.149	19%	0.187	C	C	.	.			trans	-95	128.5	174.3	-53.7	-175.7	0	0	0	111.5	L694 L707 A724 R726 I730 R754	L694-I728 HydrophobicContact CD1-CD1 3.65Å; L694-I728 HydrophobicContact CD2-CD1 3.47Å; L694-I728 VanDerWaalsContact CD2-CD1 3.47Å; L694-I728 HydrophobicContact CG-CD1 4.17Å; L707-I728 HydrophobicContact CD1-CD1 4.25Å; L707-I728 HydrophobicContact CD1-CG2 3.52Å; L707-I728 HydrophobicContact CD2-CD1 4.46Å; L707-I728 HydrophobicContact CD2-CG2 3.78Å; L707-I728 HydrophobicContact CG-CG2 4.3Å; A724-I728 WeakPolarHBondContact O-CD1 3.34Å; A724-I728 WeakPolarHBondContact O-CG1 3.46Å; R726-I728 PolarHBondContact O-N 3.15Å; I728-I730 HydrophobicContact CB-CD1 4.39Å; I728-I730 HydrophobicContact CB-CG1 4.07Å; I728-I730 HydrophobicContact CG2-CD1 3.97Å; I728-I730 HydrophobicContact CG2-CG1 3.43Å; I728-I730 VanDerWaalsContact CG2-CG1 3.43Å; I728-I730 PolarHBondContact O-N 3.33Å; I728-R754 PolarHBondContact O-NH1 3.17Å
729	D	56.1	Low	75.3	Confident	140 Å²	140	35 Å²	35	75%	0.749	19%	0.192	S	C	*	.			trans	-75.3	91.6	165.5	-179.1	39.8	0	0	0	110.7
730	I	63.7	Low	75.4	Confident	35 Å²	35	36.1 Å²	36.1	18%	0.179	20%	0.198	C	C	.	.			trans	-109.1	137.5	171.4	-49.6	-172.8	0	0	0	107.3	I668 L707 L710 L718 I728 V733	I668-I730 HydrophobicContact CD1-CD1 3.94Å; L707-I730 HydrophobicContact CD2-CD1 3.7Å; L707-I730 HydrophobicContact CD2-CG1 3.94Å; L710-I730 HydrophobicContact CD2-CG2 3.95Å; L718-I730 HydrophobicContact CD2-CD1 3.58Å; I728-I730 HydrophobicContact CB-CD1 4.39Å; I728-I730 HydrophobicContact CB-CG1 4.07Å; I728-I730 HydrophobicContact CG2-CD1 3.97Å; I728-I730 HydrophobicContact CG2-CG1 3.43Å; I728-I730 VanDerWaalsContact CG2-CG1 3.43Å; I728-I730 PolarHBondContact O-N 3.33Å; I730-V733 HydrophobicContact CG2-CG2 4.22Å
731	Q	54.4	Low	75.5	Confident	113 Å²	113	36 Å²	36	53%	0.528	20%	0.197	S	C	.	.			trans	-56.7	151.5	172.7	-71.9	176.5	-45.9	0	0	111.2	V733	Q731-V733 WeakPolarHBondContact O-CG2 3.43Å; Q731-V733 PolarHBondContact O-N 3.48Å
732	D	65	Low	75.6	Confident	66 Å²	66	35.7 Å²	35.7	35%	0.353	20%	0.195	S	C	.	.			trans	-47.6	111.6	-175.6	-93.9	-59.9	0	0	0	113.1	G756 R757 A758	D732-G756 PolarHBondContact OD1-N 3.47Å; D732-R757 WeakPolarHBondContact OD1-CB 3.37Å; D732-R757 PolarHBondContact OD1-N 2.82Å; D732-A758 WeakPolarHBondContact OD2-CB 3.35Å; D732-A758 PolarHBondContact OD2-N 3Å
733	V	78.2	Confident	76.1	Confident	5 Å²	5	40.7 Å²	40.7	3%	0.03	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-77.8	136.8	-176.6	-174.7	0	0	0	0	108.7	P666 I668 I730 Q731 M735 R754 T755	P666-V733 WeakPolarHBondContact O-CG1 3.32Å; I668-V733 HydrophobicContact CB-CG1 4.45Å; I668-V733 HydrophobicContact CD1-CG2 3.71Å; I668-V733 HydrophobicContact CG1-CG1 3.97Å; I668-V733 HydrophobicContact CG1-CG2 3.95Å; I730-V733 HydrophobicContact CG2-CG2 4.22Å; Q731-V733 WeakPolarHBondContact O-CG2 3.43Å; Q731-V733 PolarHBondContact O-N 3.48Å; V733-M735 VanDerWaalsContact CG1-O 3.25Å; V733-M735 WeakPolarHBondContact CG1-O 3.48Å; V733-R754 WeakPolarHBondContact CB-O 3.44Å; V733-R754 WeakPolarHBondContact CG2-O 3.41Å; V733-R754 PolarHBondContact N-O 3.42Å; V733-T755 HydrophobicContact CB-CG2 4.24Å; V733-T755 WeakPolarHBondContact O-CB 3.26Å; V733-T755 WeakPolarHBondContact O-CG2 3.46Å
734	S	82.4	Confident	77.2	Confident	31 Å²	31	37.9 Å²	37.9	22%	0.217	20%	0.197	C	C	.	.	S	Bend	trans	-68.5	-42	179.9	69.8	0	0	0	0	112	D664 P666 I667 V763	D664-S734 WeakPolarHBondContact O-CB 3.23Å; D664-S734 PolarHBondContact O-OG 3.05Å; P666-S734 PolarHBondContact O-N 2.9Å; I667-S734 WeakPolarHBondContact CG2-OG 3.3Å; S734-V763 PolarHBondContact O-N 2.86Å; S734-V763 VanDerWaalsContact O-N 3.15Å
735	M	88.6	Confident	78.5	Confident	18 Å²	18	39 Å²	39	9%	0.089	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	134	-174.8	179.3	174.4	61.1	0	0	111.6	I658 F663 I667 I668 V733 V737 V763 I765	I658-M735 HydrophobicContact CG2-CE 4.09Å; I658-M735 HydrophobicContact CG2-SD 4.23Å; F663-M735 HydrophobicContact CB-CE 3.92Å; I667-M735 WeakPolarHBondContact CA-O 3.4Å; I667-M735 WeakPolarHBondContact CB-O 3.38Å; I667-M735 HydrophobicContact CD1-CE 4.04Å; I667-M735 HydrophobicContact CG2-CB 3.91Å; I667-M735 HydrophobicContact CG2-CE 4.14Å; I668-M735 PolarHBondContact N-O 2.81Å; V733-M735 VanDerWaalsContact CG1-O 3.25Å; V733-M735 WeakPolarHBondContact CG1-O 3.48Å; M735-V737 HydrophobicContact CE-CG2 4.14Å; M735-V737 HydrophobicContact CG-CG2 4.07Å; M735-V737 HydrophobicContact SD-CG2 4.13Å; M735-V763 CarbonylContact C-O 3.55Å; M735-V763 VanDerWaalsContact CA-O 3.25Å; M735-V763 WeakPolarHBondContact CA-O 3.31Å; M735-V763 HydrophobicContact CG-CB 4.31Å; M735-I765 HydrophobicContact SD-CD1 3.58Å; M735-I765 VanDerWaalsContact SD-CD1 3.58Å; M735-I765 HydrophobicContact SD-CG1 4.19Å
736	V	92.5	Very high	79.8	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	133.8	166.8	158.2	0	0	0	0	108.8	I668 F670 R754 T755 V763 A764 I765	I668-V736 HydrophobicContact CB-CG2 4.26Å; I668-V736 CarbonylContact O-C 3.6Å; I668-V736 WeakPolarHBondContact O-CA 3.19Å; F670-V736 HydrophobicContact CD2-CG1 3.94Å; F670-V736 HydrophobicContact CE2-CG1 4.22Å; F670-V736 HydrophobicContact CE2-CG2 4.42Å; V736-R754 HydrophobicContact CG2-CB 4.18Å; V736-T755 HydrophobicContact CB-CG2 3.94Å; V736-T755 HydrophobicContact CG2-CG2 3.55Å; V736-V763 PolarHBondContact N-O 2.77Å; V736-A764 CarbonylContact O-C 3.49Å; V736-A764 WeakPolarHBondContact O-CA 3.35Å; V736-I765 PolarHBondContact O-N 3.25Å
737	V	95.8	Very high	80.9	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	107.5	173.1	-171.8	0	0	0	0	109.6	L655 I668 I669 F670 M735 Y739 I765 F767	L655-V737 HydrophobicContact CD1-CG1 4.02Å; I668-V737 PolarHBondContact O-N 2.89Å; I669-V737 CarbonylContact C-O 3.58Å; I669-V737 VanDerWaalsContact CA-O 3.31Å; I669-V737 WeakPolarHBondContact CA-O 3.43Å; I669-V737 HydrophobicContact CG1-CB 4.3Å; I669-V737 HydrophobicContact CG2-CB 4.47Å; F670-V737 PolarHBondContact N-O 2.71Å; M735-V737 HydrophobicContact CE-CG2 4.14Å; M735-V737 HydrophobicContact CG-CG2 4.07Å; M735-V737 HydrophobicContact SD-CG2 4.13Å; V737-Y739 VanDerWaalsContact C-N 3.34Å; V737-Y739 PolarHBondContact O-N 3.43Å; V737-I765 CarbonylContact C-O 3.51Å; V737-I765 WeakPolarHBondContact CA-O 3.47Å; V737-I765 HydrophobicContact CG1-CB 4.45Å; V737-I765 HydrophobicContact CG2-CB 4.44Å; V737-F767 HydrophobicContact CG1-CZ 4.24Å
738	N	96.1	Very high	82.7	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	90	165.1	-65.9	-58.6	0	0	0	108.3	D740 Y748 R751 I765 T766 F767	N738-D740 VanDerWaalsContact C-N 3.32Å; N738-Y748 VanDerWaalsContact ND2-CE2 3.32Å; N738-Y748 WeakPolarHBondContact ND2-CE2 3.5Å; N738-R751 WeakPolarHBondContact OD1-CD 3.4Å; N738-R751 PolarHBondContact OD1-NH1 2.87Å; N738-I765 PolarHBondContact N-O 2.93Å; N738-T766 HydrophobicContact CB-CG2 3.84Å; N738-T766 PolarHBondContact ND2-OG1 2.93Å; N738-F767 PolarHBondContact O-N 3.13Å
739	Y	96.6	Very high	83.9	Confident	28 Å²	28	39.5 Å²	39.5	11%	0.11	20%	0.198	C	C	.	.	S	Bend	trans	-67.5	-38.9	174.6	-178.3	-80.2	0	0	0	110.3	K651 R652 L655 F670 V671 L680 V737 F767	K651-Y739 HydrophobicContact CB-CD2 4.37Å; K651-Y739 HydrophobicContact CB-CE1 3.98Å; K651-Y739 HydrophobicContact CB-CE2 3.72Å; K651-Y739 VanDerWaalsContact CB-CZ 3.47Å; K651-Y739 WeakPolarHBondContact CB-OH 3.49Å; K651-Y739 HydrophobicContact CD-CD1 4.09Å; K651-Y739 HydrophobicContact CD-CE1 3.73Å; K651-Y739 VanDerWaalsContact CD-O 3.26Å; K651-Y739 WeakPolarHBondContact CD-O 3.43Å; K651-Y739 WeakPolarHBondContact CE-O 2.96Å; K651-Y739 PolarHBondContact NZ-O 3.35Å; R652-Y739 PolarHBondContact N-OH 3.09Å; L655-Y739 HydrophobicContact CB-CD2 4.29Å; L655-Y739 HydrophobicContact CB-CE2 4.3Å; L655-Y739 HydrophobicContact CD2-CD2 3.94Å; L655-Y739 HydrophobicContact CD2-CE2 4.12Å; F670-Y739 WeakPolarHBondContact O-CB 3.5Å; F670-Y739 PolarHBondContact O-N 3.33Å; V671-Y739 HydrophobicContact CG1-CD1 3.89Å; V671-Y739 HydrophobicContact CG1-CG 4.17Å; L680-Y739 HydrophobicContact CD1-CD2 4.43Å; L680-Y739 HydrophobicContact CD1-CE2 4.04Å; L680-Y739 HydrophobicContact CD2-CD1 4.23Å; L680-Y739 HydrophobicContact CD2-CD2 3.86Å; L680-Y739 HydrophobicContact CD2-CE2 4.21Å; L680-Y739 HydrophobicContact CD2-CG 3.86Å; V737-Y739 VanDerWaalsContact C-N 3.34Å; V737-Y739 PolarHBondContact O-N 3.43Å; Y739-F767 HydrophobicContact CD2-CD2 4.13Å; Y739-F767 AromaticContact CD2-CE2 3.82Å; Y739-F767 HydrophobicContact CD2-CE2 3.82Å; Y739-F767 HydrophobicContact CE2-CE2 4.32Å; Y739-F767 HydrophobicContact CG-CD2 4.39Å; Y739-F767 HydrophobicContact CG-CE2 4.47Å
740	D	95.3	Very high	85	Confident	24 Å²	24	36.3 Å²	36.3	13%	0.128	18%	0.178	C	C	.	.	S	Bend	trans	-109.1	137.1	160.6	-56.1	-39.8	0	0	0	109	K651 F670 V671 N672 N738 R751	K651-D740 IonicContact NZ-OD1 3.5Å; K651-D740 PolarHBondContact NZ-OD1 3.31Å; F670-D740 PolarHBondContact O-N 3.39Å; V671-D740 WeakPolarHBondContact CA-OD2 3.46Å; V671-D740 WeakPolarHBondContact CB-OD2 3.28Å; N672-D740 HydrophobicContact CB-CB 4.1Å; N672-D740 VanDerWaalsContact CG-CB 3.49Å; N672-D740 PolarHBondContact N-OD2 3Å; N738-D740 VanDerWaalsContact C-N 3.32Å; D740-R751 PolarHBondContact O-NH1 3.43Å
741	M	94.5	Very high	86.1	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.17	C	C	.	.			trans	-68.6	145.5	170.7	178	54.1	-169.6	0	0	111	N672 Y748 T766 L768 D772 V775 L779	N672-M741 PolarHBondContact ND2-O 3.19Å; N672-M741 PolarHBondContact OD1-O 2.87Å; M741-Y748 HydrophobicContact CE-CD2 3.71Å; M741-Y748 HydrophobicContact CE-CE2 4.46Å; M741-Y748 HydrophobicContact CE-CG 3.84Å; M741-Y748 HydrophobicContact SD-CD2 3.53Å; M741-Y748 VanDerWaalsContact SD-CD2 3.53Å; M741-Y748 HydrophobicContact SD-CE2 4.09Å; M741-Y748 HydrophobicContact SD-CG 4.27Å; M741-T766 HydrophobicContact CB-CG2 4.43Å; M741-T766 HydrophobicContact SD-CG2 3.79Å; M741-L768 HydrophobicContact CB-CD2 3.87Å; M741-L768 HydrophobicContact CG-CD2 3.72Å; M741-L768 HydrophobicContact SD-CD2 4.29Å; M741-D772 HydrophobicContact CB-CB 4.1Å; M741-D772 HydrophobicContact CG-CB 4.24Å; M741-V775 HydrophobicContact CE-CB 4.21Å; M741-V775 HydrophobicContact CE-CG2 3.67Å; M741-V775 HydrophobicContact CG-CG2 3.73Å; M741-L779 HydrophobicContact CE-CB 4.37Å; M741-L779 HydrophobicContact CE-CD1 4.28Å; M741-L779 HydrophobicContact CE-CD2 3.98Å; M741-L779 HydrophobicContact CE-CG 4.46Å; M741-L779 HydrophobicContact SD-CD2 4.14Å
742	A	92.9	Very high	87.6	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.145	C	C	.	.			trans	-67.7	155.9	176.7	0	0	0	0	0	111.5	D747	A742-D747 HydrophobicContact CB-CB 3.73Å
743	K	90.4	Very high	88.2	Confident	125 Å²	125	26.2 Å²	26.2	54%	0.543	13%	0.128	S	C	.	.	S	Bend	trans	-90.1	-0.4	-174.8	-66.3	-52.7	-169.2	-174.7	0	115.5	E771 D772	K743-E771 PolarHBondContact NZ-O 2.93Å; K743-D772 IonicContact NZ-OD1 2.96Å; K743-D772 PolarHBondContact NZ-OD1 3.49Å
744	N	88.9	Confident	88.2	Confident	59 Å²	59	28 Å²	28	32%	0.316	13%	0.134	S	C	.	.	S	Bend	trans	-142	169.5	162.5	63.2	37.8	0	0	0	108	E746 D747	N744-E746 PolarHBondContact OD1-N 2.83Å; N744-D747 PolarHBondContact ND2-OD1 3.45Å; N744-D747 WeakPolarHBondContact OD1-CB 3.31Å; N744-D747 PolarHBondContact OD1-N 3.45Å; N744-D747 PolarHBondContact OD1-OD1 3.44Å
745	I	89.1	Confident	87.6	Confident	32 Å²	32	26.6 Å²	26.6	16%	0.164	12%	0.124	C	C	.	.	H	α-helix	trans	-74.3	-30.4	179.1	-166.5	61.4	0	0	0	113.1	Y748 I749 E778 L779 A782	I745-Y748 HydrophobicContact CD1-CD1 3.78Å; I745-Y748 HydrophobicContact CD1-CG 4.31Å; I745-Y748 WeakPolarHBondContact O-CA 3.44Å; I745-Y748 VanDerWaalsContact O-CB 3.3Å; I745-Y748 WeakPolarHBondContact O-CB 3.25Å; I745-Y748 PolarHBondContact O-N 3.38Å; I745-Y748 VanDerWaalsContact O-N 3.15Å; I745-I749 WeakPolarHBondContact O-CG1 3.41Å; I745-I749 PolarHBondContact O-N 2.88Å; I745-E778 HydrophobicContact CB-CB 3.85Å; I745-E778 HydrophobicContact CD1-CB 4.3Å; I745-E778 HydrophobicContact CG1-CB 4.01Å; I745-E778 HydrophobicContact CG2-CB 4.19Å; I745-E778 WeakPolarHBondContact CG2-OE2 3.43Å; I745-L779 HydrophobicContact CD1-CB 4.27Å; I745-L779 HydrophobicContact CD1-CD1 4.44Å; I745-A782 HydrophobicContact CD1-CB 4.11Å
746	E	81.6	Confident	86.1	Confident	103 Å²	103	26.2 Å²	26.2	48%	0.481	13%	0.125	S	C	.	.	H	α-helix	trans	-65.1	-44.5	-177	-63.8	172.8	177.7	0	0	112.1	N744 Y748 I749 H750	N744-E746 PolarHBondContact OD1-N 2.83Å; E746-Y748 VanDerWaalsContact C-N 3.27Å; E746-Y748 PolarHBondContact O-N 3.1Å; E746-I749 PolarHBondContact O-N 3.35Å; E746-H750 PolarHBondContact O-N 3.38Å; E746-H750 PolarHBondContact O-ND1 2.92Å
747	D	84.6	Confident	84.3	Confident	23 Å²	23	32 Å²	32	12%	0.123	15%	0.147	C	C	.	.	H	α-helix	trans	-58	-41.7	172.5	-74.9	14.3	0	0	0	110.7	R726 A742 N744 H750 R751	R726-D747 IonicContact CZ-OD1 2.69Å; R726-D747 IonicContact CZ-OD2 3.99Å; R726-D747 IonicContact NH1-OD1 2.82Å; R726-D747 PolarHBondContact NH1-OD1 3.33Å; R726-D747 IonicContact NH2-OD1 2.74Å; R726-D747 PolarHBondContact NH2-OD1 3.1Å; R726-D747 IonicContact NH2-OD2 3.38Å; R726-D747 PolarHBondContact NH2-OD2 3.24Å; A742-D747 HydrophobicContact CB-CB 3.73Å; N744-D747 PolarHBondContact ND2-OD1 3.45Å; N744-D747 WeakPolarHBondContact OD1-CB 3.31Å; N744-D747 PolarHBondContact OD1-N 3.45Å; N744-D747 PolarHBondContact OD1-OD1 3.44Å; D747-H750 PolarHBondContact O-N 2.79Å; D747-R751 VanDerWaalsContact O-CG 3.29Å; D747-R751 WeakPolarHBondContact O-CG 3.49Å; D747-R751 PolarHBondContact O-N 3.27Å
748	Y	89.9	Confident	81.7	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.1	-46.5	174.8	172.2	-93.5	0	0	0	112	Q641 N738 M741 I745 E746 H750 R751 I752 T766 L779	Q641-Y748 PolarHBondContact OE1-OH 3.4Å; N738-Y748 VanDerWaalsContact ND2-CE2 3.32Å; N738-Y748 WeakPolarHBondContact ND2-CE2 3.5Å; M741-Y748 HydrophobicContact CE-CD2 3.71Å; M741-Y748 HydrophobicContact CE-CE2 4.46Å; M741-Y748 HydrophobicContact CE-CG 3.84Å; M741-Y748 HydrophobicContact SD-CD2 3.53Å; M741-Y748 VanDerWaalsContact SD-CD2 3.53Å; M741-Y748 HydrophobicContact SD-CE2 4.09Å; M741-Y748 HydrophobicContact SD-CG 4.27Å; I745-Y748 HydrophobicContact CD1-CD1 3.78Å; I745-Y748 HydrophobicContact CD1-CG 4.31Å; I745-Y748 WeakPolarHBondContact O-CA 3.44Å; I745-Y748 VanDerWaalsContact O-CB 3.3Å; I745-Y748 WeakPolarHBondContact O-CB 3.25Å; I745-Y748 PolarHBondContact O-N 3.38Å; I745-Y748 VanDerWaalsContact O-N 3.15Å; E746-Y748 VanDerWaalsContact C-N 3.27Å; E746-Y748 PolarHBondContact O-N 3.1Å; Y748-H750 VanDerWaalsContact C-N 3.34Å; Y748-H750 PolarHBondContact O-N 3.12Å; Y748-R751 WeakPolarHBondContact O-CB 3.5Å; Y748-R751 PolarHBondContact O-N 3.13Å; Y748-R751 VanDerWaalsContact O-N 3.17Å; Y748-I752 HydrophobicContact CD1-CD1 4.37Å; Y748-I752 HydrophobicContact CD2-CG2 4.36Å; Y748-I752 HydrophobicContact CE1-CD1 3.78Å; Y748-I752 HydrophobicContact CE1-CG2 4.14Å; Y748-I752 HydrophobicContact CE2-CG2 3.94Å; Y748-I752 PolarHBondContact O-N 2.81Å; Y748-T766 HydrophobicContact CE2-CG2 4.19Å; Y748-T766 WeakPolarHBondContact CE2-OG1 3.29Å; Y748-L779 HydrophobicContact CD1-CD1 4Å; Y748-L779 HydrophobicContact CD2-CD1 4.28Å; Y748-L779 HydrophobicContact CE1-CD1 3.45Å; Y748-L779 VanDerWaalsContact CE1-CD1 3.45Å; Y748-L779 HydrophobicContact CE2-CD1 3.76Å; Y748-L779 HydrophobicContact CG-CD1 4.39Å
749	I	84.9	Confident	79.4	Confident	28 Å²	28	39.4 Å²	39.4	14%	0.144	22%	0.216	C	C	.	.	H	α-helix	trans	-58.1	-45.3	174.6	-63.8	-55.5	0	0	0	111.1	P635 H636 I745 E746 R751 I752 G753 A782	P635-I749 HydrophobicContact CB-CG2 4.12Å; P635-I749 HydrophobicContact CG-CG2 3.65Å; H636-I749 HydrophobicContact CB-CD1 3.65Å; H636-I749 WeakPolarHBondContact ND1-CD1 3.44Å; I745-I749 WeakPolarHBondContact O-CG1 3.41Å; I745-I749 PolarHBondContact O-N 2.88Å; E746-I749 PolarHBondContact O-N 3.35Å; I749-R751 VanDerWaalsContact C-N 3.29Å; I749-R751 PolarHBondContact O-N 2.78Å; I749-I752 HydrophobicContact CD1-CD1 4.24Å; I749-I752 PolarHBondContact O-N 3.42Å; I749-G753 PolarHBondContact O-N 3.49Å; I749-A782 HydrophobicContact CD1-CB 4.43Å
750	H	80.1	Confident	77.5	Confident	72 Å²	72	45.3 Å²	45.3	33%	0.333	24%	0.242	S	C	.	.	H	α-helix	trans	-64	-28.7	177.2	-70.6	117.1	0	0	0	114.2	E746 D747 Y748 R754	E746-H750 PolarHBondContact O-N 3.38Å; E746-H750 PolarHBondContact O-ND1 2.92Å; D747-H750 PolarHBondContact O-N 2.79Å; Y748-H750 VanDerWaalsContact C-N 3.34Å; Y748-H750 PolarHBondContact O-N 3.12Å; H750-R754 PolarHBondContact O-NE 3.03Å
751	R	86.1	Confident	75.5	Confident	3 Å²	3	46.4 Å²	46.4	1%	0.011	25%	0.252	C	S	.	.	H	α-helix	trans	-75.6	-51.7	174.2	-70.7	177.9	-173	-172.8	1.2	111.8	F670 N672 D722 N738 D740 D747 Y748 I749 G753 R754	F670-R751 HydrophobicContact CB-CG 4.49Å; F670-R751 HydrophobicContact CD1-CG 3.97Å; F670-R751 HydrophobicContact CD2-CB 3.75Å; F670-R751 HydrophobicContact CD2-CG 3.66Å; F670-R751 HydrophobicContact CE1-CG 4.04Å; F670-R751 HydrophobicContact CE2-CB 3.67Å; F670-R751 HydrophobicContact CE2-CG 3.73Å; F670-R751 HydrophobicContact CG-CB 4.37Å; F670-R751 HydrophobicContact CG-CG 3.78Å; F670-R751 HydrophobicContact CZ-CB 4.24Å; F670-R751 HydrophobicContact CZ-CG 3.92Å; N672-R751 PolarHBondContact OD1-NH2 3.37Å; D722-R751 VanDerWaalsContact CG-NH2 3.29Å; D722-R751 IonicContact OD1-CZ 2.61Å; D722-R751 VanDerWaalsContact OD1-CZ 3.29Å; D722-R751 IonicContact OD1-NE 4Å; D722-R751 PolarHBondContact OD1-NE 2.94Å; D722-R751 IonicContact OD1-NH2 2.68Å; D722-R751 PolarHBondContact OD1-NH2 2.94Å; D722-R751 IonicContact OD2-CZ 2.68Å; D722-R751 IonicContact OD2-NE 3.14Å; D722-R751 IonicContact OD2-NH2 2.81Å; D722-R751 PolarHBondContact OD2-NH2 3.08Å; N738-R751 WeakPolarHBondContact OD1-CD 3.4Å; N738-R751 PolarHBondContact OD1-NH1 2.87Å; D740-R751 PolarHBondContact O-NH1 3.43Å; D747-R751 VanDerWaalsContact O-CG 3.29Å; D747-R751 WeakPolarHBondContact O-CG 3.49Å; D747-R751 PolarHBondContact O-N 3.27Å; Y748-R751 WeakPolarHBondContact O-CB 3.5Å; Y748-R751 PolarHBondContact O-N 3.13Å; Y748-R751 VanDerWaalsContact O-N 3.17Å; I749-R751 VanDerWaalsContact C-N 3.29Å; I749-R751 PolarHBondContact O-N 2.78Å; R751-G753 VanDerWaalsContact C-N 3.26Å; R751-G753 PolarHBondContact O-N 2.95Å; R751-R754 WeakPolarHBondContact O-CB 3.28Å; R751-R754 VanDerWaalsContact O-CG 3.3Å; R751-R754 WeakPolarHBondContact O-CG 3.29Å; R751-R754 PolarHBondContact O-N 3Å; R751-R754 VanDerWaalsContact O-N 3.11Å
752	I	86.4	Confident	74.5	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-67.8	-30.4	-178	70.7	172.6	0	0	0	111.5	P635 H636 V639 Q641 Y748 I749 R754 T755 A764	P635-I752 HydrophobicContact CB-CD1 4.31Å; P635-I752 HydrophobicContact CB-CG1 3.9Å; H636-I752 HydrophobicContact CB-CD1 4.07Å; V639-I752 HydrophobicContact CG1-CB 4.41Å; Q641-I752 HydrophobicContact CG-CD1 4.14Å; Y748-I752 HydrophobicContact CD1-CD1 4.37Å; Y748-I752 HydrophobicContact CD2-CG2 4.36Å; Y748-I752 HydrophobicContact CE1-CD1 3.78Å; Y748-I752 HydrophobicContact CE1-CG2 4.14Å; Y748-I752 HydrophobicContact CE2-CG2 3.94Å; Y748-I752 PolarHBondContact O-N 2.81Å; I749-I752 HydrophobicContact CD1-CD1 4.24Å; I749-I752 PolarHBondContact O-N 3.42Å; I752-R754 PolarHBondContact O-N 2.84Å; I752-T755 PolarHBondContact O-N 3.14Å; I752-T755 PolarHBondContact O-OG1 3.35Å; I752-A764 HydrophobicContact CB-CB 3.84Å; I752-A764 HydrophobicContact CG2-CB 3.42Å; I752-A764 VanDerWaalsContact CG2-CB 3.42Å
753	G	77.3	Confident	74.2	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	6.8	171.1	0	0	0	0	0	115.8	I749 R751 T755 R757	I749-G753 PolarHBondContact O-N 3.49Å; R751-G753 VanDerWaalsContact C-N 3.26Å; R751-G753 PolarHBondContact O-N 2.95Å; G753-T755 VanDerWaalsContact C-N 3.3Å; G753-R757 PolarHBondContact O-NE 3.36Å; G753-R757 PolarHBondContact O-NH2 2.9Å
754	R	77.4	Confident	74.3	Confident	43 Å²	43	42.9 Å²	42.9	16%	0.162	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-9.9	161.5	-57.9	-69.4	142.1	-172.1	-10.7	112.5	I668 F670 I728 V733 V736 H750 R751 I752	I668-R754 HydrophobicContact CD1-CB 4.26Å; F670-R754 HydrophobicContact CE2-CG 4.45Å; F670-R754 HydrophobicContact CZ-CG 4.33Å; I728-R754 PolarHBondContact O-NH1 3.17Å; V733-R754 WeakPolarHBondContact CB-O 3.44Å; V733-R754 WeakPolarHBondContact CG2-O 3.41Å; V733-R754 PolarHBondContact N-O 3.42Å; V736-R754 HydrophobicContact CG2-CB 4.18Å; H750-R754 PolarHBondContact O-NE 3.03Å; R751-R754 WeakPolarHBondContact O-CB 3.28Å; R751-R754 VanDerWaalsContact O-CG 3.3Å; R751-R754 WeakPolarHBondContact O-CG 3.29Å; R751-R754 PolarHBondContact O-N 3Å; R751-R754 VanDerWaalsContact O-N 3.11Å; I752-R754 PolarHBondContact O-N 2.84Å
755	T	71.3	Confident	74.6	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-104.8	157.4	169.3	69.8	0	0	0	0	110.8	V639 V733 V736 I752 G753	V639-T755 WeakPolarHBondContact CG1-OG1 3.42Å; V639-T755 WeakPolarHBondContact CG2-OG1 3.4Å; V733-T755 HydrophobicContact CB-CG2 4.24Å; V733-T755 WeakPolarHBondContact O-CB 3.26Å; V733-T755 WeakPolarHBondContact O-CG2 3.46Å; V736-T755 HydrophobicContact CB-CG2 3.94Å; V736-T755 HydrophobicContact CG2-CG2 3.55Å; I752-T755 PolarHBondContact O-N 3.14Å; I752-T755 PolarHBondContact O-OG1 3.35Å; G753-T755 VanDerWaalsContact C-N 3.3Å
756	G	55.4	Low	74.9	Confident	11 Å²	11	39.1 Å²	39.1	11%	0.113	22%	0.223	C	C	.	.			trans	65.9	41.7	160.6	0	0	0	0	0	117.3	R638 D732 K760	R638-G756 PolarHBondContact NH1-O 2.89Å; D732-G756 PolarHBondContact OD1-N 3.47Å; G756-K760 WeakPolarHBondContact CA-O 3.29Å
757	R	56.1	Low	75.7	Confident	121 Å²	121	34.2 Å²	34.2	46%	0.457	20%	0.201	S	C	.	.	S	Bend	trans	-85.9	-40.6	167.9	-58.7	-173.9	176	-113.4	-13.9	111.3	E436 D732 G753 G759	E436-R757 IonicContact OE1-NH2 2.74Å; E436-R757 IonicContact OE2-CZ 3.89Å; E436-R757 IonicContact OE2-NH1 2.76Å; E436-R757 PolarHBondContact OE2-NH1 2.83Å; E436-R757 IonicContact OE2-NH2 2.63Å; E436-R757 PolarHBondContact OE2-NH2 2.8Å; D732-R757 WeakPolarHBondContact OD1-CB 3.37Å; D732-R757 PolarHBondContact OD1-N 2.82Å; G753-R757 PolarHBondContact O-NE 3.36Å; G753-R757 PolarHBondContact O-NH2 2.9Å; R757-G759 PolarHBondContact O-N 2.88Å
758	A	41.3	Very low	76.2	Confident	78 Å²	78	33.1 Å²	33.1	65%	0.645	20%	0.195	S	C	*	.	S	Bend	trans	-92.2	51.3	176.5	0	0	0	0	0	114.8	D732 K760	D732-A758 WeakPolarHBondContact OD2-CB 3.35Å; D732-A758 PolarHBondContact OD2-N 3Å; A758-K760 VanDerWaalsContact C-N 3.26Å; A758-K760 PolarHBondContact O-N 3.42Å
759	G	47.6	Very low	76.4	Confident	78 Å²	78	33.3 Å²	33.3	80%	0.804	20%	0.196	S	C	*	.	S	Bend	trans	74.3	-13.7	162.4	0	0	0	0	0	118.4	R757	R757-G759 PolarHBondContact O-N 2.88Å
760	K	55.6	Low	76.8	Confident	152 Å²	152	39.2 Å²	39.2	66%	0.661	22%	0.22	S	C	*	.			trans	-72.4	138.6	157.5	-67.7	-175.3	177.1	-174.6	0	108.1	G756 A758 G762	G756-K760 WeakPolarHBondContact CA-O 3.29Å; A758-K760 VanDerWaalsContact C-N 3.26Å; A758-K760 PolarHBondContact O-N 3.42Å; K760-G762 VanDerWaalsContact C-N 3.33Å; K760-G762 PolarHBondContact O-N 2.88Å
761	S	54.6	Low	77.3	Confident	47 Å²	47	40.4 Å²	40.4	33%	0.329	23%	0.226	S	C	.	.			trans	-58.8	-44.3	175.7	176.6	0	0	0	0	111.9	R638 E640	R638-S761 PolarHBondContact O-OG 2.79Å; R638-S761 VanDerWaalsContact O-OG 3.12Å; E640-S761 PolarHBondContact N-OG 3.32Å
762	G	72.3	Confident	77.6	Confident	14 Å²	14	40.6 Å²	40.6	14%	0.144	23%	0.227	C	C	.	.			trans	75.7	159.3	-172.4	0	0	0	0	0	112	E640 K760	E640-G762 WeakPolarHBondContact CB-O 3.42Å; E640-G762 PolarHBondContact N-O 3.05Å; K760-G762 VanDerWaalsContact C-N 3.33Å; K760-G762 PolarHBondContact O-N 2.88Å
763	V	87.3	Confident	77.9	Confident	36 Å²	36	42.6 Å²	42.6	22%	0.218	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	126.9	-175.8	-168.4	0	0	0	0	111.1	E640 K642 S734 M735 V736 I765	E640-V763 WeakPolarHBondContact O-CA 3.43Å; E640-V763 WeakPolarHBondContact OE2-CG2 3.41Å; K642-V763 HydrophobicContact CD-CG1 3.97Å; S734-V763 PolarHBondContact O-N 2.86Å; S734-V763 VanDerWaalsContact O-N 3.15Å; M735-V763 CarbonylContact C-O 3.55Å; M735-V763 VanDerWaalsContact CA-O 3.25Å; M735-V763 WeakPolarHBondContact CA-O 3.31Å; M735-V763 HydrophobicContact CG-CB 4.31Å; V736-V763 PolarHBondContact N-O 2.77Å; V763-I765 HydrophobicContact CG1-CG1 4.01Å
764	A	92.4	Very high	78.6	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	96.3	175.4	0	0	0	0	0	110.9	V639 E640 Q641 K642 V736 I752	V639-A764 HydrophobicContact CG1-CB 3.74Å; E640-A764 PolarHBondContact O-N 3.11Å; Q641-A764 HydrophobicContact CG-CB 4.32Å; K642-A764 PolarHBondContact N-O 2.98Å; V736-A764 CarbonylContact O-C 3.49Å; V736-A764 WeakPolarHBondContact O-CA 3.35Å; I752-A764 HydrophobicContact CB-CB 3.84Å; I752-A764 HydrophobicContact CG2-CB 3.42Å; I752-A764 VanDerWaalsContact CG2-CB 3.42Å
765	I	94.9	Very high	79.3	Confident	13 Å²	13	44 Å²	44	7%	0.067	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	136.2	174.9	-56	-178.1	0	0	0	109.7	K642 F644 I658 M735 V736 V737 N738 V763 F767	K642-I765 HydrophobicContact CB-CG1 4.38Å; K642-I765 CarbonylContact O-C 3.59Å; K642-I765 VanDerWaalsContact O-CA 3.3Å; K642-I765 WeakPolarHBondContact O-CA 3.46Å; F644-I765 HydrophobicContact CD2-CG2 3.85Å; F644-I765 HydrophobicContact CE2-CG2 3.72Å; I658-I765 HydrophobicContact CD1-CD1 4.1Å; I658-I765 HydrophobicContact CD1-CG2 3.96Å; I658-I765 HydrophobicContact CG1-CD1 4.41Å; I658-I765 HydrophobicContact CG2-CD1 3.89Å; M735-I765 HydrophobicContact SD-CD1 3.58Å; M735-I765 VanDerWaalsContact SD-CD1 3.58Å; M735-I765 HydrophobicContact SD-CG1 4.19Å; V736-I765 PolarHBondContact O-N 3.25Å; V737-I765 CarbonylContact C-O 3.51Å; V737-I765 WeakPolarHBondContact CA-O 3.47Å; V737-I765 HydrophobicContact CG1-CB 4.45Å; V737-I765 HydrophobicContact CG2-CB 4.44Å; N738-I765 PolarHBondContact N-O 2.93Å; V763-I765 HydrophobicContact CG1-CG1 4.01Å; I765-F767 HydrophobicContact CG2-CD1 4.45Å; I765-F767 HydrophobicContact CG2-CE1 3.99Å
766	T	96.7	Very high	80.4	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	129.3	-175.9	-57	0	0	0	0	111.8	K642 V643 F644 N738 M741 Y748 L768	K642-T766 PolarHBondContact O-N 3.36Å; V643-T766 CarbonylContact C-O 3.59Å; V643-T766 VanDerWaalsContact CA-O 3.31Å; V643-T766 WeakPolarHBondContact CA-O 3.34Å; F644-T766 PolarHBondContact N-O 2.82Å; N738-T766 HydrophobicContact CB-CG2 3.84Å; N738-T766 PolarHBondContact ND2-OG1 2.93Å; M741-T766 HydrophobicContact CB-CG2 4.43Å; M741-T766 HydrophobicContact SD-CG2 3.79Å; Y748-T766 HydrophobicContact CE2-CG2 4.19Å; Y748-T766 WeakPolarHBondContact CE2-OG1 3.29Å; T766-L768 HydrophobicContact CG2-CD2 4.03Å; T766-L768 HydrophobicContact CG2-CG 4.4Å
767	F	97.2	Very high	82.2	Confident	0 Å²	0	46 Å²	46	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	126.1	173.5	-55.5	-21.5	0	0	0	109.4	F644 M646 K651 K654 L655 I658 V737 N738 Y739 I765	F644-F767 HydrophobicContact CB-CD1 4.49Å; F644-F767 HydrophobicContact CD2-CD1 4.3Å; F644-F767 HydrophobicContact CD2-CE1 4.19Å; M646-F767 HydrophobicContact CE-CB 3.78Å; M646-F767 HydrophobicContact CE-CD1 3.35Å; M646-F767 HydrophobicContact CE-CD2 4.35Å; M646-F767 HydrophobicContact CE-CE1 4Å; M646-F767 HydrophobicContact CE-CG 3.56Å; M646-F767 HydrophobicContact SD-CB 4.01Å; M646-F767 HydrophobicContact SD-CD1 4.29Å; M646-F767 HydrophobicContact SD-CD2 4.25Å; M646-F767 HydrophobicContact SD-CG 3.94Å; K651-F767 HydrophobicContact CB-CD2 3.77Å; K651-F767 HydrophobicContact CB-CE2 4.18Å; K651-F767 HydrophobicContact CD-CD2 4.4Å; K651-F767 HydrophobicContact CG-CB 4.1Å; K651-F767 HydrophobicContact CG-CD2 3.74Å; K651-F767 HydrophobicContact CG-CG 4.31Å; K651-F767 WeakPolarHBondContact O-CE2 3.36Å; K654-F767 HydrophobicContact CB-CE1 4.37Å; K654-F767 HydrophobicContact CB-CZ 4.14Å; K654-F767 HydrophobicContact CG-CD1 4.47Å; K654-F767 HydrophobicContact CG-CE1 3.72Å; K654-F767 HydrophobicContact CG-CZ 3.93Å; L655-F767 HydrophobicContact CB-CE2 4.08Å; L655-F767 HydrophobicContact CB-CZ 4.17Å; I658-F767 HydrophobicContact CD1-CE1 3.81Å; I658-F767 HydrophobicContact CD1-CZ 3.92Å; V737-F767 HydrophobicContact CG1-CZ 4.24Å; N738-F767 PolarHBondContact O-N 3.13Å; Y739-F767 HydrophobicContact CD2-CD2 4.13Å; Y739-F767 AromaticContact CD2-CE2 3.82Å; Y739-F767 HydrophobicContact CD2-CE2 3.82Å; Y739-F767 HydrophobicContact CE2-CE2 4.32Å; Y739-F767 HydrophobicContact CG-CD2 4.39Å; Y739-F767 HydrophobicContact CG-CE2 4.47Å; I765-F767 HydrophobicContact CG2-CD1 4.45Å; I765-F767 HydrophobicContact CG2-CE1 3.99Å
768	L	95.8	Very high	83.9	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	134.2	178.3	-64.5	177.6	0	0	0	110.3	V643 F644 L645 M646 M741 T766 F776 L779 L795	V643-L768 HydrophobicContact CB-CD1 3.93Å; V643-L768 HydrophobicContact CB-CG 4.42Å; V643-L768 HydrophobicContact CG1-CD1 3.96Å; V643-L768 HydrophobicContact CG1-CG 4.47Å; V643-L768 HydrophobicContact CG2-CD1 4.35Å; F644-L768 PolarHBondContact O-N 3.12Å; L645-L768 HydrophobicContact CD1-CB 4.27Å; L645-L768 HydrophobicContact CD1-CD1 3.89Å; L645-L768 HydrophobicContact CG-CB 4.29Å; M646-L768 PolarHBondContact N-O 3.38Å; M741-L768 HydrophobicContact CB-CD2 3.87Å; M741-L768 HydrophobicContact CG-CD2 3.72Å; M741-L768 HydrophobicContact SD-CD2 4.29Å; T766-L768 HydrophobicContact CG2-CD2 4.03Å; T766-L768 HydrophobicContact CG2-CG 4.4Å; L768-F776 HydrophobicContact CB-CE1 3.97Å; L768-F776 HydrophobicContact CB-CZ 4.1Å; L768-F776 HydrophobicContact CD1-CD1 4.46Å; L768-F776 HydrophobicContact CD1-CE1 4.14Å; L768-F776 HydrophobicContact CD2-CE1 4.07Å; L768-F776 HydrophobicContact CG-CE1 4.29Å; L768-L779 HydrophobicContact CD1-CD2 3.73Å; L768-L779 HydrophobicContact CD2-CD2 3.58Å; L768-L779 HydrophobicContact CG-CD2 4.18Å; L768-L795 HydrophobicContact CD1-CD1 4.05Å; L768-L795 HydrophobicContact CD1-CD2 4.11Å
769	T	94.2	Very high	86.3	Confident	4 Å²	4	39.6 Å²	39.6	3%	0.025	23%	0.228	C	C	.	.			trans	-123	172.2	169.8	79.1	0	0	0	0	110.3	E771 D772 F776	T769-E771 VanDerWaalsContact CB-OE2 3.23Å; T769-E771 WeakPolarHBondContact CB-OE2 3.2Å; T769-E771 PolarHBondContact O-N 2.86Å; T769-E771 VanDerWaalsContact O-N 3.16Å; T769-E771 PolarHBondContact OG1-N 3.48Å; T769-E771 PolarHBondContact OG1-OE2 3.35Å; T769-D772 PolarHBondContact N-OD2 3.29Å; T769-D772 PolarHBondContact O-N 3.16Å; T769-F776 WeakPolarHBondContact O-CZ 3.37Å
770	K	92.1	Very high	88.5	Confident	152 Å²	152	37.2 Å²	37.2	66%	0.661	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-60.8	-21.1	177.4	65.9	-172.3	-174.1	-52.7	0	113.7	D772 S773	K770-D772 PolarHBondContact O-N 2.82Å; K770-S773 PolarHBondContact O-OG 2.87Å
771	E	91.6	Very high	90.1	Very high	97 Å²	97	33.6 Å²	33.6	45%	0.453	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-72.4	-7.6	174	-66.3	74	-165	0	0	113.7	K743 T769	K743-E771 PolarHBondContact NZ-O 2.93Å; T769-E771 VanDerWaalsContact CB-OE2 3.23Å; T769-E771 WeakPolarHBondContact CB-OE2 3.2Å; T769-E771 PolarHBondContact O-N 2.86Å; T769-E771 VanDerWaalsContact O-N 3.16Å; T769-E771 PolarHBondContact OG1-N 3.48Å; T769-E771 PolarHBondContact OG1-OE2 3.35Å
772	D	92.9	Very high	91.7	Very high	6 Å²	6	31.6 Å²	31.6	3%	0.032	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-113.1	7.1	179.8	-57.1	-47.6	0	0	0	112.7	M741 K743 T769 K770 A774 V775 F776	M741-D772 HydrophobicContact CB-CB 4.1Å; M741-D772 HydrophobicContact CG-CB 4.24Å; K743-D772 IonicContact NZ-OD1 2.96Å; K743-D772 PolarHBondContact NZ-OD1 3.49Å; T769-D772 PolarHBondContact N-OD2 3.29Å; T769-D772 PolarHBondContact O-N 3.16Å; K770-D772 PolarHBondContact O-N 2.82Å; D772-A774 PolarHBondContact O-N 3.47Å; D772-V775 HydrophobicContact CB-CG2 4.35Å; D772-V775 WeakPolarHBondContact O-CG2 3.31Å; D772-V775 PolarHBondContact O-N 3.36Å; D772-F776 HydrophobicContact CB-CE1 4.03Å; D772-F776 WeakPolarHBondContact O-CD1 3.3Å; D772-F776 WeakPolarHBondContact O-CE1 3.21Å
773	S	91.4	Very high	92.5	Very high	42 Å²	42	31 Å²	31	29%	0.294	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-51.2	-33.6	-179.7	53.7	0	0	0	0	113.8	K770 V775 F776 D800	K770-S773 PolarHBondContact O-OG 2.87Å; S773-V775 PolarHBondContact O-N 2.81Å; S773-V775 VanDerWaalsContact O-N 3.12Å; S773-F776 WeakPolarHBondContact O-CB 3.37Å; S773-F776 PolarHBondContact O-N 3.39Å; S773-F776 VanDerWaalsContact O-N 3.1Å; S773-D800 WeakPolarHBondContact CB-OD2 3.42Å
774	A	91.9	Very high	92.4	Very high	67 Å²	67	34.3 Å²	34.3	55%	0.554	18%	0.177	S	C	*	.	G	3₁₀ helix	trans	-62.5	-13	177.2	0	0	0	0	0	115.3	D772 P805	D772-A774 PolarHBondContact O-N 3.47Å; A774-P805 WeakPolarHBondContact O-CG 3.41Å
775	V	93.6	Very high	92.1	Very high	6 Å²	6	38.2 Å²	38.2	4%	0.036	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-114.2	2.2	173.3	-66.1	0	0	0	0	113.4	M741 D772 S773 Y777 E778 L779	M741-V775 HydrophobicContact CE-CB 4.21Å; M741-V775 HydrophobicContact CE-CG2 3.67Å; M741-V775 HydrophobicContact CG-CG2 3.73Å; D772-V775 HydrophobicContact CB-CG2 4.35Å; D772-V775 WeakPolarHBondContact O-CG2 3.31Å; D772-V775 PolarHBondContact O-N 3.36Å; S773-V775 PolarHBondContact O-N 2.81Å; S773-V775 VanDerWaalsContact O-N 3.12Å; V775-Y777 PolarHBondContact O-N 2.9Å; V775-E778 PolarHBondContact O-N 3.17Å; V775-L779 VanDerWaalsContact O-CB 3.28Å; V775-L779 WeakPolarHBondContact O-CB 3.44Å; V775-L779 PolarHBondContact O-N 2.86Å
776	F	93.7	Very high	91.4	Very high	3 Å²	3	37.9 Å²	37.9	1%	0.013	19%	0.194	C	C	.	.	H	α-helix	trans	-62.8	-39.1	-174.5	-83	22	0	0	0	113.4	L768 T769 D772 S773 K780 L795 H798 D800 A801	L768-F776 HydrophobicContact CB-CE1 3.97Å; L768-F776 HydrophobicContact CB-CZ 4.1Å; L768-F776 HydrophobicContact CD1-CD1 4.46Å; L768-F776 HydrophobicContact CD1-CE1 4.14Å; L768-F776 HydrophobicContact CD2-CE1 4.07Å; L768-F776 HydrophobicContact CG-CE1 4.29Å; T769-F776 WeakPolarHBondContact O-CZ 3.37Å; D772-F776 HydrophobicContact CB-CE1 4.03Å; D772-F776 WeakPolarHBondContact O-CD1 3.3Å; D772-F776 WeakPolarHBondContact O-CE1 3.21Å; S773-F776 WeakPolarHBondContact O-CB 3.37Å; S773-F776 PolarHBondContact O-N 3.39Å; S773-F776 VanDerWaalsContact O-N 3.1Å; F776-K780 WeakPolarHBondContact O-CB 3.35Å; F776-K780 PolarHBondContact O-N 2.64Å; F776-L795 HydrophobicContact CB-CD1 3.97Å; F776-L795 HydrophobicContact CD1-CD1 4.43Å; F776-L795 HydrophobicContact CD2-CD1 3.9Å; F776-L795 HydrophobicContact CG-CD1 3.85Å; F776-H798 HydrophobicContact CD2-CB 4.27Å; F776-H798 AromaticContact CD2-CG 3.86Å; F776-H798 AromaticContact CD2-ND1 3.47Å; F776-H798 WeakPolarHBondContact CD2-ND1 3.46Å; F776-H798 AromaticContact CE2-CE1 3.66Å; F776-H798 AromaticContact CE2-CG 3.88Å; F776-H798 AromaticContact CE2-ND1 3.55Å; F776-D800 HydrophobicContact CD2-CB 4.26Å; F776-A801 HydrophobicContact CB-CB 4.04Å
777	Y	92.5	Very high	90.5	Very high	50 Å²	50	43.4 Å²	43.4	20%	0.196	23%	0.23	C	C	.	.	H	α-helix	trans	-63.8	-47	177.9	179.2	-89.7	0	0	0	112	V775 K780 Q781 H803 K804	V775-Y777 PolarHBondContact O-N 2.9Å; Y777-K780 WeakPolarHBondContact O-CB 3.45Å; Y777-K780 PolarHBondContact O-N 3.11Å; Y777-Q781 HydrophobicContact CE1-CG 4.23Å; Y777-Q781 WeakPolarHBondContact O-CG 3.39Å; Y777-Q781 PolarHBondContact O-N 3.41Å; Y777-H803 WeakPolarHBondContact CB-O 3.36Å; Y777-H803 WeakPolarHBondContact CD2-O 3.5Å; Y777-K804 HydrophobicContact CD1-CG 3.76Å; Y777-K804 HydrophobicContact CE1-CB 4.44Å; Y777-K804 HydrophobicContact CE1-CD 4.23Å; Y777-K804 HydrophobicContact CE1-CG 3.32Å
778	E	91.6	Very high	89.6	Confident	64 Å²	64	46.7 Å²	46.7	30%	0.299	25%	0.249	S	C	.	.	H	α-helix	trans	-72.2	-39.3	-176.9	-58.1	-177.9	157	0	0	111.2	I745 V775 Q781 A782	I745-E778 HydrophobicContact CB-CB 3.85Å; I745-E778 HydrophobicContact CD1-CB 4.3Å; I745-E778 HydrophobicContact CG1-CB 4.01Å; I745-E778 HydrophobicContact CG2-CB 4.19Å; I745-E778 WeakPolarHBondContact CG2-OE2 3.43Å; V775-E778 PolarHBondContact O-N 3.17Å; E778-Q781 WeakPolarHBondContact O-CB 3.15Å; E778-Q781 PolarHBondContact O-N 3.29Å; E778-Q781 VanDerWaalsContact O-N 3.15Å; E778-A782 PolarHBondContact O-N 3.02Å
779	L	92.9	Very high	88.9	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.2	-39.7	173	-179.7	60.4	0	0	0	112	V643 M741 I745 Y748 L768 V775 Q781 A782 I783 L795	V643-L779 HydrophobicContact CG1-CD2 4.1Å; M741-L779 HydrophobicContact CE-CB 4.37Å; M741-L779 HydrophobicContact CE-CD1 4.28Å; M741-L779 HydrophobicContact CE-CD2 3.98Å; M741-L779 HydrophobicContact CE-CG 4.46Å; M741-L779 HydrophobicContact SD-CD2 4.14Å; I745-L779 HydrophobicContact CD1-CB 4.27Å; I745-L779 HydrophobicContact CD1-CD1 4.44Å; Y748-L779 HydrophobicContact CD1-CD1 4Å; Y748-L779 HydrophobicContact CD2-CD1 4.28Å; Y748-L779 HydrophobicContact CE1-CD1 3.45Å; Y748-L779 VanDerWaalsContact CE1-CD1 3.45Å; Y748-L779 HydrophobicContact CE2-CD1 3.76Å; Y748-L779 HydrophobicContact CG-CD1 4.39Å; L768-L779 HydrophobicContact CD1-CD2 3.73Å; L768-L779 HydrophobicContact CD2-CD2 3.58Å; L768-L779 HydrophobicContact CG-CD2 4.18Å; V775-L779 VanDerWaalsContact O-CB 3.28Å; V775-L779 WeakPolarHBondContact O-CB 3.44Å; V775-L779 PolarHBondContact O-N 2.86Å; L779-Q781 VanDerWaalsContact C-N 3.31Å; L779-Q781 PolarHBondContact O-N 2.83Å; L779-A782 PolarHBondContact O-N 2.75Å; L779-I783 HydrophobicContact CD1-CD1 3.87Å; L779-I783 HydrophobicContact CD1-CG1 4.19Å; L779-I783 HydrophobicContact CG-CD1 3.91Å; L779-I783 VanDerWaalsContact O-CG1 3.29Å; L779-I783 WeakPolarHBondContact O-CG1 3.33Å; L779-I783 PolarHBondContact O-N 2.94Å; L779-L795 HydrophobicContact CD2-CD2 4.23Å; L779-L795 HydrophobicContact CG-CD2 4.08Å
780	K	92.8	Very high	88.2	Confident	28 Å²	28	52.5 Å²	52.5	12%	0.122	29%	0.29	C	S	.	.	H	α-helix	trans	-59.7	-41.1	171.1	168	-177.7	165.4	179.7	0	111.3	F776 Y777 L784 L795 A796 A801	F776-K780 WeakPolarHBondContact O-CB 3.35Å; F776-K780 PolarHBondContact O-N 2.64Å; Y777-K780 WeakPolarHBondContact O-CB 3.45Å; Y777-K780 PolarHBondContact O-N 3.11Å; K780-L784 HydrophobicContact CD-CD1 4.5Å; K780-L784 HydrophobicContact CG-CD1 3.7Å; K780-L784 HydrophobicContact CG-CG 4.37Å; K780-L784 VanDerWaalsContact O-CB 3.3Å; K780-L784 WeakPolarHBondContact O-CB 3.32Å; K780-L784 WeakPolarHBondContact O-CG 3.09Å; K780-L784 PolarHBondContact O-N 2.93Å; K780-L795 HydrophobicContact CB-CD2 4.42Å; K780-L795 HydrophobicContact CB-CG 4.28Å; K780-A796 VanDerWaalsContact CE-O 3.3Å; K780-A796 WeakPolarHBondContact CE-O 3.33Å; K780-A796 PolarHBondContact NZ-O 2.62Å; K780-A801 HydrophobicContact CB-CB 4.5Å; K780-A801 HydrophobicContact CD-CB 3.79Å; K780-A801 WeakPolarHBondContact CD-O 3.3Å; K780-A801 PolarHBondContact NZ-O 2.91Å
781	Q	89.8	Confident	87.7	Confident	76 Å²	76	46.7 Å²	46.7	36%	0.355	27%	0.268	S	S	.	.	H	α-helix	trans	-63.9	-47.1	174.4	-68.2	-171.6	-67.5	0	0	111.6	Y777 E778 L779 I783 L784 E785	Y777-Q781 HydrophobicContact CE1-CG 4.23Å; Y777-Q781 WeakPolarHBondContact O-CG 3.39Å; Y777-Q781 PolarHBondContact O-N 3.41Å; E778-Q781 WeakPolarHBondContact O-CB 3.15Å; E778-Q781 PolarHBondContact O-N 3.29Å; E778-Q781 VanDerWaalsContact O-N 3.15Å; L779-Q781 VanDerWaalsContact C-N 3.31Å; L779-Q781 PolarHBondContact O-N 2.83Å; Q781-I783 VanDerWaalsContact C-N 3.27Å; Q781-I783 PolarHBondContact O-N 2.89Å; Q781-L784 PolarHBondContact O-N 3.01Å; Q781-L784 VanDerWaalsContact O-N 3.16Å; Q781-E785 WeakPolarHBondContact O-CB 3.49Å; Q781-E785 WeakPolarHBondContact O-CG 3.41Å; Q781-E785 PolarHBondContact O-N 2.93Å
782	A	87.9	Confident	87.1	Confident	5 Å²	5	43.3 Å²	43.3	4%	0.041	26%	0.255	C	S	.	.	H	α-helix	trans	-59.7	-33.4	178.4	0	0	0	0	0	113.7	H636 Q641 I745 I749 E778 L779	H636-A782 HydrophobicContact CB-CB 4.02Å; H636-A782 WeakPolarHBondContact CB-O 3.48Å; H636-A782 PolarHBondContact CD2-O 3.35Å; H636-A782 VanDerWaalsContact CD2-O 3.24Å; Q641-A782 PolarHBondContact NE2-O 2.84Å; Q641-A782 VanDerWaalsContact NE2-O 3.16Å; I745-A782 HydrophobicContact CD1-CB 4.11Å; I749-A782 HydrophobicContact CD1-CB 4.43Å; E778-A782 PolarHBondContact O-N 3.02Å; L779-A782 PolarHBondContact O-N 2.75Å
783	I	88.4	Confident	86.4	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-83.7	-31.6	176.9	-55.3	165.3	0	0	0	111.6	Q641 V643 L779 Q781 S786 C791 L795	Q641-I783 HydrophobicContact CB-CD1 4.49Å; Q641-I783 HydrophobicContact CB-CG1 3.9Å; Q641-I783 HydrophobicContact CB-CG2 4.35Å; Q641-I783 HydrophobicContact CG-CG1 4.46Å; V643-I783 HydrophobicContact CG1-CD1 3.57Å; L779-I783 HydrophobicContact CD1-CD1 3.87Å; L779-I783 HydrophobicContact CD1-CG1 4.19Å; L779-I783 HydrophobicContact CG-CD1 3.91Å; L779-I783 VanDerWaalsContact O-CG1 3.29Å; L779-I783 WeakPolarHBondContact O-CG1 3.33Å; L779-I783 PolarHBondContact O-N 2.94Å; Q781-I783 VanDerWaalsContact C-N 3.27Å; Q781-I783 PolarHBondContact O-N 2.89Å; I783-S786 WeakPolarHBondContact O-CB 3.24Å; I783-S786 PolarHBondContact O-N 3.37Å; I783-C791 HydrophobicContact CB-CB 4.34Å; I783-C791 HydrophobicContact CG2-CB 3.74Å; I783-L795 HydrophobicContact CD1-CD2 3.95Å
784	L	86.1	Confident	86	Confident	106 Å²	106	49.6 Å²	49.6	56%	0.555	29%	0.287	S	S	*	.	H	α-helix	trans	-74.2	-28.1	174.5	-73.4	172.5	0	0	0	113.6	K780 Q781 S786 C791	K780-L784 HydrophobicContact CD-CD1 4.5Å; K780-L784 HydrophobicContact CG-CD1 3.7Å; K780-L784 HydrophobicContact CG-CG 4.37Å; K780-L784 VanDerWaalsContact O-CB 3.3Å; K780-L784 WeakPolarHBondContact O-CB 3.32Å; K780-L784 WeakPolarHBondContact O-CG 3.09Å; K780-L784 PolarHBondContact O-N 2.93Å; Q781-L784 PolarHBondContact O-N 3.01Å; Q781-L784 VanDerWaalsContact O-N 3.16Å; L784-S786 PolarHBondContact O-N 2.93Å; L784-C791 HydrophobicContact CD2-CB 3.65Å; L784-C791 HydrophobicContact CG-CB 4.11Å
785	E	85.7	Confident	85.6	Confident	82 Å²	82	46.4 Å²	46.4	38%	0.383	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-8.7	170.7	-77.2	-177.9	-156.3	0	0	112.8	K634 H636 Q781 P787	K634-E785 IonicContact NZ-OE2 2.71Å; K634-E785 PolarHBondContact NZ-OE2 2.96Å; H636-E785 IonicContact CD2-OE2 3.62Å; H636-E785 IonicContact CE1-OE2 3.76Å; H636-E785 IonicContact NE2-OE2 3.46Å; H636-E785 PolarHBondContact NE2-OE2 2.69Å; Q781-E785 WeakPolarHBondContact O-CB 3.49Å; Q781-E785 WeakPolarHBondContact O-CG 3.41Å; Q781-E785 PolarHBondContact O-N 2.93Å; E785-P787 VanDerWaalsContact O-CD 3.32Å; E785-P787 WeakPolarHBondContact O-CD 3.35Å
786	S	80.9	Confident	85.2	Confident	5 Å²	5	47 Å²	47	4%	0.035	27%	0.267	C	S	.	.			trans	-97.5	106.2	-172.2	-172.9	0	0	0	0	113.1	H636 V639 Q641 I783 L784 V788 S789	H636-S786 WeakPolarHBondContact O-CB 3.14Å; H636-S786 PolarHBondContact O-OG 3.26Å; V639-S786 PolarHBondContact O-OG 3.42Å; Q641-S786 VanDerWaalsContact NE2-CB 3.31Å; Q641-S786 PolarHBondContact NE2-OG 2.97Å; I783-S786 WeakPolarHBondContact O-CB 3.24Å; I783-S786 PolarHBondContact O-N 3.37Å; L784-S786 PolarHBondContact O-N 2.93Å; S786-V788 PolarHBondContact O-N 3.43Å; S786-V788 WeakPolarHBondContact OG-CG2 3.27Å; S786-S789 WeakPolarHBondContact CB-OG 3.47Å; S786-S789 PolarHBondContact O-N 3.5Å; S786-S789 VanDerWaalsContact O-N 3.11Å; S786-S789 WeakPolarHBondContact OG-CB 3.4Å; S786-S789 PolarHBondContact OG-OG 3.32Å
787	P	76.6	Confident	84.9	Confident	117 Å²	117	52.6 Å²	52.6	76%	0.76	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-17.2	-179.6	-17.5	33.9	0	0	0	113.2	E637 E785	E637-P787 VanDerWaalsContact O-CD 3.31Å; E637-P787 WeakPolarHBondContact O-CD 2.79Å; E785-P787 VanDerWaalsContact O-CD 3.32Å; E785-P787 WeakPolarHBondContact O-CD 3.35Å
788	V	79.1	Confident	84.7	Confident	68 Å²	68	52.7 Å²	52.7	41%	0.412	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-6.2	175.7	-61.4	0	0	0	0	113.3	V639 S786	V639-V788 WeakPolarHBondContact O-CG2 3.35Å; S786-V788 PolarHBondContact O-N 3.43Å; S786-V788 WeakPolarHBondContact OG-CG2 3.27Å
789	S	81.4	Confident	84.5	Confident	15 Å²	15	54.2 Å²	54.2	11%	0.105	31%	0.314	C	S	.	.			trans	-112.9	145.3	-177	-53.3	0	0	0	0	112	V639 Q641 S786	V639-S789 PolarHBondContact O-OG 3.39Å; Q641-S789 PolarHBondContact N-OG 3.32Å; S786-S789 WeakPolarHBondContact CB-OG 3.47Å; S786-S789 PolarHBondContact O-N 3.5Å; S786-S789 VanDerWaalsContact O-N 3.11Å; S786-S789 WeakPolarHBondContact OG-CB 3.4Å; S786-S789 PolarHBondContact OG-OG 3.32Å
790	S	79.8	Confident	84.3	Confident	111 Å²	111	58 Å²	58	78%	0.776	34%	0.335	S	S	*	.			trans	-100.1	101.3	168.4	-69.1	0	0	0	0	109.6	P792	S790-P792 VanDerWaalsContact O-CD 3.26Å; S790-P792 WeakPolarHBondContact O-CD 3.47Å; S790-P792 VanDerWaalsContact O-N 3.13Å
791	C	80.4	Confident	84.2	Confident	30 Å²	30	56.7 Å²	56.7	20%	0.203	33%	0.329	C	S	.	.			trans	-60.2	114.2	175.4	-173.6	0	0	0	0	110.2	I783 L784	I783-C791 HydrophobicContact CB-CB 4.34Å; I783-C791 HydrophobicContact CG2-CB 3.74Å; L784-C791 HydrophobicContact CD2-CB 3.65Å; L784-C791 HydrophobicContact CG-CB 4.11Å
792	P	78.8	Confident	84.1	Confident	26 Å²	26	56.7 Å²	56.7	17%	0.169	33%	0.329	C	S	.	.			trans	-77.2	147	-172.5	31.7	-34	0	0	0	110.7	V643 S790 E794 L795 A796	V643-P792 HydrophobicContact CG2-CG 3.27Å; S790-P792 VanDerWaalsContact O-CD 3.26Å; S790-P792 WeakPolarHBondContact O-CD 3.47Å; S790-P792 VanDerWaalsContact O-N 3.13Å; P792-E794 HydrophobicContact CB-CG 4Å; P792-E794 HydrophobicContact CG-CG 4.19Å; P792-E794 PolarHBondContact O-N 2.89Å; P792-L795 PolarHBondContact O-N 3.49Å; P792-L795 VanDerWaalsContact O-N 3.15Å; P792-A796 PolarHBondContact O-N 2.99Å
793	P	79.9	Confident	84.1	Confident	90 Å²	90	60.9 Å²	60.9	58%	0.584	35%	0.347	S	S	*	.	H	α-helix	trans	-65.2	-24.4	-172	26	-35	0	0	0	113.2	L795 N797	P793-L795 VanDerWaalsContact C-N 3.34Å; P793-L795 PolarHBondContact O-N 2.95Å; P793-N797 VanDerWaalsContact O-CB 3.29Å; P793-N797 WeakPolarHBondContact O-CB 3.47Å; P793-N797 PolarHBondContact O-N 3.2Å; P793-N797 PolarHBondContact O-ND2 3.07Å
794	E	81.3	Confident	83.9	Confident	91 Å²	91	66.6 Å²	66.6	43%	0.425	37%	0.372	S	S	.	.	H	α-helix	trans	-61.2	-35.9	175	52.6	179.2	-120.1	0	0	113.4	L645 P792 H798	L645-E794 HydrophobicContact CD1-CB 4.47Å; L645-E794 HydrophobicContact CD1-CG 4.07Å; L645-E794 WeakPolarHBondContact CD1-OE1 3.39Å; L645-E794 HydrophobicContact CD2-CB 4.41Å; L645-E794 PolarHBondContact N-OE1 3.32Å; P792-E794 HydrophobicContact CB-CG 4Å; P792-E794 HydrophobicContact CG-CG 4.19Å; P792-E794 PolarHBondContact O-N 2.89Å; E794-H798 WeakPolarHBondContact O-CB 3.16Å
795	L	85.3	Confident	83.8	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-88.4	-44.8	172.4	179.3	61.3	0	0	0	111.3	V643 L645 L768 F776 L779 K780 I783 P792 P793 N797 H798 A801	V643-L795 HydrophobicContact CG1-CD2 4.32Å; V643-L795 HydrophobicContact CG2-CB 4.15Å; V643-L795 HydrophobicContact CG2-CD2 4.06Å; L645-L795 HydrophobicContact CD1-CB 4.24Å; L768-L795 HydrophobicContact CD1-CD1 4.05Å; L768-L795 HydrophobicContact CD1-CD2 4.11Å; F776-L795 HydrophobicContact CB-CD1 3.97Å; F776-L795 HydrophobicContact CD1-CD1 4.43Å; F776-L795 HydrophobicContact CD2-CD1 3.9Å; F776-L795 HydrophobicContact CG-CD1 3.85Å; L779-L795 HydrophobicContact CD2-CD2 4.23Å; L779-L795 HydrophobicContact CG-CD2 4.08Å; K780-L795 HydrophobicContact CB-CD2 4.42Å; K780-L795 HydrophobicContact CB-CG 4.28Å; I783-L795 HydrophobicContact CD1-CD2 3.95Å; P792-L795 PolarHBondContact O-N 3.49Å; P792-L795 VanDerWaalsContact O-N 3.15Å; P793-L795 VanDerWaalsContact C-N 3.34Å; P793-L795 PolarHBondContact O-N 2.95Å; L795-N797 PolarHBondContact O-N 3.09Å; L795-H798 WeakPolarHBondContact O-CB 3.44Å; L795-H798 PolarHBondContact O-N 2.82Å; L795-H798 VanDerWaalsContact O-N 3.11Å; L795-A801 HydrophobicContact CD1-CB 4.25Å; L795-A801 VanDerWaalsContact O-CB 3.22Å; L795-A801 WeakPolarHBondContact O-CB 3.48Å
796	A	83.6	Confident	83.4	Confident	19 Å²	19	64.4 Å²	64.4	16%	0.157	39%	0.386	C	S	.	.	H	α-helix	trans	-56.9	-37.5	-175.9	0	0	0	0	0	112.7	K780 P792 Q802	K780-A796 VanDerWaalsContact CE-O 3.3Å; K780-A796 WeakPolarHBondContact CE-O 3.33Å; K780-A796 PolarHBondContact NZ-O 2.62Å; P792-A796 PolarHBondContact O-N 2.99Å; A796-Q802 PolarHBondContact O-NE2 3.45Å
797	N	87.9	Confident	83.2	Confident	120 Å²	120	67.9 Å²	67.9	64%	0.642	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	4.3	-178.7	-55.4	-41.9	0	0	0	113.8	P793 L795 Q802	P793-N797 VanDerWaalsContact O-CB 3.29Å; P793-N797 WeakPolarHBondContact O-CB 3.47Å; P793-N797 PolarHBondContact O-N 3.2Å; P793-N797 PolarHBondContact O-ND2 3.07Å; L795-N797 PolarHBondContact O-N 3.09Å; N797-Q802 VanDerWaalsContact C-NE2 3.33Å
798	H	88.3	Confident	82.5	Confident	52 Å²	52	69.5 Å²	69.5	24%	0.241	41%	0.407	C	S	.	.			trans	-63.2	138.9	179.6	-159.5	-93.9	0	0	0	110.8	F776 E794 L795 D800 A801 Q802	F776-H798 HydrophobicContact CD2-CB 4.27Å; F776-H798 AromaticContact CD2-CG 3.86Å; F776-H798 AromaticContact CD2-ND1 3.47Å; F776-H798 WeakPolarHBondContact CD2-ND1 3.46Å; F776-H798 AromaticContact CE2-CE1 3.66Å; F776-H798 AromaticContact CE2-CG 3.88Å; F776-H798 AromaticContact CE2-ND1 3.55Å; E794-H798 WeakPolarHBondContact O-CB 3.16Å; L795-H798 WeakPolarHBondContact O-CB 3.44Å; L795-H798 PolarHBondContact O-N 2.82Å; L795-H798 VanDerWaalsContact O-N 3.11Å; H798-D800 VanDerWaalsContact C-N 3.34Å; H798-D800 IonicContact CE1-OD2 2.89Å; H798-D800 PolarHBondContact CE1-OD2 2.86Å; H798-D800 PolarHBondContact ND1-N 3.38Å; H798-D800 IonicContact ND1-OD2 2.71Å; H798-D800 PolarHBondContact ND1-OD2 3.41Å; H798-D800 PolarHBondContact O-N 3.31Å; H798-A801 HydrophobicContact CB-CB 3.96Å; H798-A801 WeakPolarHBondContact O-CB 3.26Å; H798-A801 PolarHBondContact O-N 2.86Å; H798-Q802 PolarHBondContact O-NE2 2.97Å
799	P	88.3	Confident	81.6	Confident	95 Å²	95	71.2 Å²	71.2	62%	0.617	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-53.4	-48.4	179.5	-28.7	36.1	0	0	0	113.1	A801 Q802	P799-A801 PolarHBondContact O-N 3.09Å; P799-A801 VanDerWaalsContact O-N 3.11Å; P799-Q802 PolarHBondContact O-N 3.17Å
800	D	88.8	Confident	80.2	Confident	81 Å²	81	76.5 Å²	76.5	43%	0.433	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-68.6	-9.1	180	-49.9	-34.2	0	0	0	113.8	S773 F776 H798	S773-D800 WeakPolarHBondContact CB-OD2 3.42Å; F776-D800 HydrophobicContact CD2-CB 4.26Å; H798-D800 VanDerWaalsContact C-N 3.34Å; H798-D800 IonicContact CE1-OD2 2.89Å; H798-D800 PolarHBondContact CE1-OD2 2.86Å; H798-D800 PolarHBondContact ND1-N 3.38Å; H798-D800 IonicContact ND1-OD2 2.71Å; H798-D800 PolarHBondContact ND1-OD2 3.41Å; H798-D800 PolarHBondContact O-N 3.31Å
801	A	89.6	Confident	78.7	Confident	0 Å²	0	80.6 Å²	80.6	0%	0	45%	0.449	C	S	.	.	G	3₁₀ helix	trans	-97.3	7.4	177.1	0	0	0	0	0	113.4	F776 K780 L795 H798 P799	F776-A801 HydrophobicContact CB-CB 4.04Å; K780-A801 HydrophobicContact CB-CB 4.5Å; K780-A801 HydrophobicContact CD-CB 3.79Å; K780-A801 WeakPolarHBondContact CD-O 3.3Å; K780-A801 PolarHBondContact NZ-O 2.91Å; L795-A801 HydrophobicContact CD1-CB 4.25Å; L795-A801 VanDerWaalsContact O-CB 3.22Å; L795-A801 WeakPolarHBondContact O-CB 3.48Å; H798-A801 HydrophobicContact CB-CB 3.96Å; H798-A801 WeakPolarHBondContact O-CB 3.26Å; H798-A801 PolarHBondContact O-N 2.86Å; P799-A801 PolarHBondContact O-N 3.09Å; P799-A801 VanDerWaalsContact O-N 3.11Å
802	Q	88.4	Confident	77	Confident	75 Å²	75	88.5 Å²	88.5	35%	0.35	48%	0.48	S	S	.	.	S	Bend	trans	-94.5	-21.1	-178.1	-53.9	-45.6	-43	0	0	114.5	A796 N797 H798 P799	A796-Q802 PolarHBondContact O-NE2 3.45Å; N797-Q802 VanDerWaalsContact C-NE2 3.33Å; H798-Q802 PolarHBondContact O-NE2 2.97Å; P799-Q802 PolarHBondContact O-N 3.17Å
803	H	87.6	Confident	75.3	Confident	94 Å²	94	98.9 Å²	98.9	44%	0.435	52%	0.516	S	S	.	.	S	Bend	trans	-135	153	-174.3	-56.9	-71.9	0	0	0	111.5	Y777 L809	Y777-H803 WeakPolarHBondContact CB-O 3.36Å; Y777-H803 WeakPolarHBondContact CD2-O 3.5Å; H803-L809 HydrophobicContact CB-CD2 4.48Å
804	K	85.1	Confident	73.8	Confident	122 Å²	122	105.7 Å²	105.7	53%	0.53	53%	0.53	S	S	.	.			trans	-61.7	141.5	176.3	-77	-169.9	172.8	-161.6	0	110.8	Y777 T807	Y777-K804 HydrophobicContact CD1-CG 3.76Å; Y777-K804 HydrophobicContact CE1-CB 4.44Å; Y777-K804 HydrophobicContact CE1-CD 4.23Å; Y777-K804 HydrophobicContact CE1-CG 3.32Å; K804-T807 VanDerWaalsContact O-CB 3.23Å; K804-T807 WeakPolarHBondContact O-CB 3.4Å; K804-T807 PolarHBondContact O-N 3.48Å; K804-T807 VanDerWaalsContact O-N 3.08Å; K804-T807 PolarHBondContact O-OG1 2.84Å
805	P	82.9	Confident	72	Confident	62 Å²	62	110.3 Å²	110.3	40%	0.403	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-51.8	141.5	174.1	-24.9	34.7	0	0	0	111.6	A774 T807	A774-P805 WeakPolarHBondContact O-CG 3.41Å; P805-T807 PolarHBondContact O-N 2.93Å
806	G	78.4	Confident	69.9	Low	80 Å²	80	118.9 Å²	118.9	83%	0.825	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	76	-4.6	-176.3	0	0	0	0	0	115.9	I808	G806-I808 PolarHBondContact O-N 3.32Å; G806-I808 VanDerWaalsContact O-N 3.14Å
807	T	76.1	Confident	68	Low	77 Å²	77	123.5 Å²	123.5	47%	0.472	62%	0.618	S	S	.	*			trans	-66.5	112.7	174.1	-53.2	0	0	0	0	110.3	K804 P805 L809	K804-T807 VanDerWaalsContact O-CB 3.23Å; K804-T807 WeakPolarHBondContact O-CB 3.4Å; K804-T807 PolarHBondContact O-N 3.48Å; K804-T807 VanDerWaalsContact O-N 3.08Å; K804-T807 PolarHBondContact O-OG1 2.84Å; P805-T807 PolarHBondContact O-N 2.93Å; T807-L809 PolarHBondContact O-N 3.45Å
808	I	62.3	Low	65.7	Low	151 Å²	151	125.1 Å²	125.1	77%	0.774	63%	0.625	S	S	*	*			trans	-69.5	105.1	175.3	-59.3	177.7	0	0	0	109.1	G806 T810	G806-I808 PolarHBondContact O-N 3.32Å; G806-I808 VanDerWaalsContact O-N 3.14Å; I808-T810 PolarHBondContact O-N 3.34Å; I808-T810 VanDerWaalsContact O-N 3.07Å
809	L	60.4	Low	63.4	Low	105 Å²	105	132 Å²	132	55%	0.55	66%	0.655	S	S	.	*			trans	-73.6	98.5	174.7	-69.4	175.3	0	0	0	110.7	H803 T807 K811	H803-L809 HydrophobicContact CB-CD2 4.48Å; T807-L809 PolarHBondContact O-N 3.45Å; L809-K811 VanDerWaalsContact C-N 3.3Å; L809-K811 PolarHBondContact O-N 2.84Å
810	T	51.7	Low	61.3	Low	125 Å²	125	135.4 Å²	135.4	77%	0.767	69%	0.691	S	S	*	*			trans	-62.8	92	163.5	55.9	0	0	0	0	109	I808 K812	I808-T810 PolarHBondContact O-N 3.34Å; I808-T810 VanDerWaalsContact O-N 3.07Å; T810-K812 PolarHBondContact O-N 3.47Å; T810-K812 VanDerWaalsContact O-N 3.07Å
811	K	48.3	Very low	59.9	Low	197 Å²	197	138.2 Å²	138.2	86%	0.857	70%	0.704	S	S	*	*			trans	-51.6	117.5	175.2	-75.1	-172	175.7	-174.9	0	109.2	L809 R813	L809-K811 VanDerWaalsContact C-N 3.3Å; L809-K811 PolarHBondContact O-N 2.84Å; K811-R813 PolarHBondContact O-N 2.89Å
812	K	43.8	Very low	58.3	Low	197 Å²	197	145.4 Å²	145.4	86%	0.857	74%	0.741	S	S	*	*			trans	-63.2	120.3	171.8	-76.5	-177	175.6	177	0	108.2	T810 R814	T810-K812 PolarHBondContact O-N 3.47Å; T810-K812 VanDerWaalsContact O-N 3.07Å; K812-R814 PolarHBondContact O-N 3.19Å
813	R	43.1	Very low	56.7	Low	244 Å²	244	149.3 Å²	149.3	92%	0.921	76%	0.763	S	S	*	*	S	Bend	trans	-62.2	81.2	167.9	-84.5	176.3	138.7	-177.3	-4.6	109.9	K811	K811-R813 PolarHBondContact O-N 2.89Å
814	R	47.9	Very low	54.8	Low	233 Å²	233	152.6 Å²	152.6	88%	0.879	78%	0.782	S	S	*	*			trans	-159.8	32.2	175	-125	175.5	-164.7	-162.7	2.8	115.9	K812	K812-R814 PolarHBondContact O-N 3.19Å
815	E	45.4	Very low	52.9	Low	188 Å²	188	154.5 Å²	154.5	88%	0.879	80%	0.798	S	S	*	*			trans	-142.7	34.2	173.4	-120.3	158.2	-122	0	0	112.6
816	E	40.8	Very low	50.9	Low	180 Å²	180	160.7 Å²	160.7	84%	0.841	82%	0.824	S	S	*	*			trans	-100.9	82.9	162.1	-74.4	175.5	169.4	0	0	108.3	I818	E816-I818 PolarHBondContact O-N 2.99Å; E816-I818 VanDerWaalsContact O-N 3.11Å
817	T	42.1	Very low	49	Very low	116 Å²	116	166.4 Å²	166.4	71%	0.712	82%	0.824	S	S	*	*			trans	-72.7	99.1	168.2	47.4	0	0	0	0	108.9	F819	T817-F819 PolarHBondContact O-N 2.77Å
818	I	40.9	Very low	46.9	Very low	154 Å²	154	173.3 Å²	173.3	79%	0.79	85%	0.851	S	S	*	*			trans	-60.4	115.7	167.2	-60.4	172.9	0	0	0	107.5	E816	E816-I818 PolarHBondContact O-N 2.99Å; E816-I818 VanDerWaalsContact O-N 3.11Å
819	F	40.1	Very low	45.6	Very low	196 Å²	196	175.2 Å²	175.2	86%	0.86	86%	0.858	S	S	*	*			trans	-76	131.4	160	-78.1	-91.6	0	0	0	108.2	T817	T817-F819 PolarHBondContact O-N 2.77Å
820	A	43	Very low	44.3	Very low	167 Å²	167	181.5 Å²	181.5	100%	1.38	89%	0.886	S	S	*	*			trans	-124.6	0	173.6	0	0	0	0	0	108.8

Retrieved 820 of 820 residues in 228.4 ms (Link to these results)

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