A0A096NQ65_PAPAN Loading...

Dynein axonemal intermediate chain 4

Plays a critical role in the assembly of axonemal dynein complex, thereby playing a role in ciliary motility.

AlphaFold DB , UniProt , Accession A0A096NQ65, Species PAPAN (Papio anubis, Olive baboon), Gene DNAI4, Length 847 aa.

						>A0A096NQ65_PAPAN|A0A096NQ65|DNAI4
MTPGKHSGSSARTASAGAWRYRDFRGGEKGWRTTPQLVATMPVSPAGSHKQQNFRLNIATQPKKSISFFATMKATSGKGYTGANQSRMAVSKTVLIPPELKTADKTNLSIKTMQVFDINGTDVTPRPLYHPDPLTGTAKPNKLLTSQEGSLGPEFISSHSLYQNTINPSMLGQFTRSVLGSSTVSKSSVSTSESIAEDLEEPSYKRERLTSFTDLQVIRAAPEKIVTKEDLEKNIEIILTETETLRFFDLPTVMVSVESEEAEKVTQRNKNYEVLCRNRLGNDLYVERMMQTFNGAPKNKDVQCDKIIMEDKGIMSTAWDLYDSYNAMELSSLSVKSSVVESSSETNVLPKDQDQRLPGSTTEKNSETSSLMDIENVILAKIREDEEDHSDAILKSDKFHQDLFFMERVLMENIFQPKLAAYRQLPVLKEPEPEEPEDFLESAKHEEVEEESKKEEEEEIHAEESTIPANLERLWSFSCDLTKGLNVSSLAWNKTNPDLLAVGYGHFGFKEQKRGLACCWSIKNPMWPERIYQSPYGVTAVDFSIGAPNLLAVGYHNGTIAIYNVRSNSNVPVLDSSESPQKHLGPVWQLQWIEQDRGTTGDDKREILVSISADGRIAKWVIRKGLDCYDLMRLKRTTTTSNRKGGEKEKKDEALISRQAPGMCFSFHPKDTNIYLAGTEEGHIHKCSCSYNEQYLNTYRGHKGPVYKVTWNPFCHDVFLSCSADWGVIIWQQENVKPFLSFYPTTSVVYDVAWSPKSSYIFAAANENRVEIWDLHISTLDPLIVNTANPGIKFTTILFAKQTDCLLVGDSDGQVSVYELRNMPTALESGRGDIIDTLLGSKSNQPA
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.4	Very low	31.1	Very low	248 Å²	248	128.6 Å²	128.6	100%	1.222	81%	0.814	S	S	*	*				0	133.5	0	-77.4	161.4	154.5	0	0	108.8
2	T	31.1	Very low	30.8	Very low	134 Å²	134	137.5 Å²	137.5	82%	0.822	82%	0.82	S	S	*	*			trans	-97.2	-174.5	157.7	52.5	0	0	0	0	107.9
3	P	47.7	Very low	30.6	Very low	128 Å²	128	136.2 Å²	136.2	83%	0.831	81%	0.814	S	S	*	*			cis	-132.2	174.6	-16	24	-1.1	0	0	0	115
4	G	27.6	Very low	30.5	Very low	71 Å²	71	132.4 Å²	132.4	73%	0.732	81%	0.805	S	S	*	*			trans	104.2	162.1	148.7	0	0	0	0	0	117.8
5	K	31.4	Very low	30.3	Very low	177 Å²	177	131.4 Å²	131.4	77%	0.77	81%	0.806	S	S	*	*			cis	-166.5	142.6	0.5	-119.8	-178.2	171.4	-160	0	112.4
6	H	30.6	Very low	30.1	Very low	152 Å²	152	130.1 Å²	130.1	70%	0.704	81%	0.812	S	S	*	*			trans	62.6	161.3	148.5	-62	-36.5	0	0	0	120.5
7	S	28.3	Very low	29.9	Very low	113 Å²	113	126.7 Å²	126.7	79%	0.79	81%	0.809	S	S	*	*			cis	-174.1	149.4	-29.5	56.5	0	0	0	0	112.4
8	G	27.2	Very low	29.7	Very low	69 Å²	69	124.7 Å²	124.7	71%	0.711	81%	0.805	S	S	*	*			trans	120.5	159.6	149.8	0	0	0	0	0	117.3
9	S	27.4	Very low	29.4	Very low	122 Å²	122	129.3 Å²	129.3	85%	0.853	81%	0.805	S	S	*	*				170	110.7	-63.6	54.7	0	0	0	0	112.4
10	S	26.2	Very low	29.1	Very low	115 Å²	115	133.3 Å²	133.3	80%	0.804	80%	0.804	S	S	*	*			trans	179.9	120.8	152.1	-171	0	0	0	0	107.2
11	A	30.1	Very low	28.8	Very low	86 Å²	86	136.6 Å²	136.6	71%	0.711	80%	0.804	S	S	*	*				68.5	133.5	55.8	0	0	0	0	0	112.9
12	R	27.9	Very low	28.3	Very low	235 Å²	235	134.9 Å²	134.9	89%	0.887	78%	0.784	S	S	*	*			cis	-126.4	-167	6	-58.8	172.1	177.6	143.6	-1.2	109.6
13	T	27.9	Very low	28.1	Very low	121 Å²	121	133.6 Å²	133.6	74%	0.742	77%	0.772	S	S	*	*			cis	-161.1	151.2	3.5	-13.1	0	0	0	0	104.8
14	A	29.7	Very low	26.9	Very low	83 Å²	83	136.2 Å²	136.2	69%	0.686	77%	0.771	S	S	*	*			cis	74.3	137.5	26.7	0	0	0	0	0	115.6
15	S	27.1	Very low	26.9	Very low	117 Å²	117	144.9 Å²	144.9	82%	0.818	78%	0.781	S	S	*	*			cis	-175.3	139.6	-13.3	50	0	0	0	0	112.7
16	A	27.5	Very low	26.6	Very low	110 Å²	110	139.9 Å²	139.9	91%	0.909	78%	0.78	S	S	*	*			trans	-169	160.9	161.9	0	0	0	0	0	110.2
17	G	26.9	Very low	26.4	Very low	73 Å²	73	136.2 Å²	136.2	75%	0.753	78%	0.783	S	S	*	*			cis	162.9	80.6	-4.8	0	0	0	0	0	115.3
18	A	25.6	Very low	26.3	Very low	90 Å²	90	138 Å²	138	74%	0.744	78%	0.779	S	S	*	*			trans	45.8	128.6	141.1	0	0	0	0	0	124.3
19	W	23.6	Very low	26.4	Very low	213 Å²	213	143.2 Å²	143.2	81%	0.807	78%	0.782	S	S	*	*			trans	88.3	132.1	134.4	-79.6	39.6	0	0	0	123.5
20	R	23.2	Very low	26.4	Very low	208 Å²	208	140.9 Å²	140.9	79%	0.785	78%	0.778	S	S	*	*			trans	68	166.8	150.5	-72.1	-178.2	175.9	-174.1	-3.3	118.4
21	Y	23.1	Very low	26.3	Very low	203 Å²	203	145.4 Å²	145.4	80%	0.796	78%	0.777	S	S	*	*			cis	-176.9	169.9	-40.5	-148.6	-96.2	0	0	0	106.9
22	R	24.6	Very low	26.1	Very low	212 Å²	212	149.3 Å²	149.3	80%	0.8	77%	0.774	S	S	*	*			trans	80.3	153	172.6	-51.4	-175.7	101	146.2	11.2	116.8
23	D	25.6	Very low	25.9	Very low	108 Å²	108	143.8 Å²	143.8	58%	0.578	77%	0.766	S	S	*	*			cis	-156.3	152.2	-20.3	-102.7	-23.7	0	0	0	112.8
24	F	24	Very low	25.9	Very low	183 Å²	183	142.5 Å²	142.5	80%	0.803	76%	0.759	S	S	*	*			trans	-2.5	133.1	160.4	-77.9	-98.6	0	0	0	123.4
25	R	26.7	Very low	26.2	Very low	252 Å²	252	144.5 Å²	144.5	95%	0.951	77%	0.765	S	S	*	*				-170.3	144.7	121.5	-109.6	176.7	-77.2	-163.6	-1.4	110.6
26	G	25.1	Very low	26.1	Very low	73 Å²	73	147.1 Å²	147.1	75%	0.753	76%	0.764	S	S	*	*			cis	153.2	96	-13.5	0	0	0	0	0	114.6
27	G	26	Very low	25.9	Very low	75 Å²	75	149 Å²	149	77%	0.773	76%	0.758	S	S	*	*			trans	85.7	164.9	172.3	0	0	0	0	0	116.3
28	E	27.8	Very low	25.9	Very low	150 Å²	150	151.6 Å²	151.6	70%	0.701	76%	0.759	S	S	*	*			cis	-166.3	149.9	-9.4	-111.4	-160.9	156	0	0	112.2
29	K	28.8	Very low	25.9	Very low	178 Å²	178	151.2 Å²	151.2	77%	0.774	76%	0.756	S	S	*	*			trans	56.8	152.4	147.8	-62.7	166.8	-178.2	147.4	0	122.5
30	G	26.7	Very low	25.9	Very low	74 Å²	74	147.9 Å²	147.9	76%	0.763	76%	0.759	S	S	*	*			trans	154.4	117.8	158.8	0	0	0	0	0	115.8
31	W	25	Very low	26	Very low	209 Å²	209	146.7 Å²	146.7	79%	0.792	76%	0.764	S	S	*	*			trans	-126.7	141	-171.6	-91.3	40.7	0	0	0	113.9
32	R	24.8	Very low	26.8	Very low	168 Å²	168	142.3 Å²	142.3	63%	0.634	76%	0.761	S	S	*	*			trans	62.1	169.7	153	-59.2	-176.5	179.5	-161.2	-0.6	117.5
33	T	25.1	Very low	26.8	Very low	120 Å²	120	138.7 Å²	138.7	74%	0.736	76%	0.762	S	S	*	*			cis	-154.8	175	3	-13.4	0	0	0	0	113
34	T	26.7	Very low	26.7	Very low	94 Å²	94	138.6 Å²	138.6	58%	0.577	77%	0.77	S	S	*	*			trans	-66.8	175.7	169.2	43.9	0	0	0	0	115.3	V184	T34-V184 HydrophobicContact CG2-CG1 3.78Å
35	P	36.7	Very low	27.3	Very low	125 Å²	125	135.5 Å²	135.5	81%	0.812	77%	0.768	S	S	*	*			cis	-150.9	-145	38.1	45.4	-20.5	0	0	0	118.8
36	Q	24.3	Very low	27.3	Very low	171 Å²	171	128.5 Å²	128.5	80%	0.799	76%	0.764	S	S	*	*			trans	-113.3	167.9	-162.7	-49.3	164.1	-91.9	0	0	115.7
37	L	24.4	Very low	27.2	Very low	150 Å²	150	128.4 Å²	128.4	79%	0.785	76%	0.763	S	S	*	*				170.2	127.9	119.5	-105.2	93.4	0	0	0	109.8
38	V	25.9	Very low	27.2	Very low	128 Å²	128	130 Å²	130	78%	0.776	76%	0.762	S	S	*	*				83.9	126.2	77.1	169.6	0	0	0	0	116.1
39	A	25.8	Very low	27.2	Very low	82 Å²	82	131 Å²	131	68%	0.678	77%	0.767	S	S	*	*			trans	149.5	102	151	0	0	0	0	0	112.8
40	T	24.3	Very low	27.1	Very low	142 Å²	142	131 Å²	131	87%	0.871	77%	0.767	S	S	*	*				92.3	144.3	97.6	51.6	0	0	0	0	117.8
41	M	23.9	Very low	27.1	Very low	183 Å²	183	134.9 Å²	134.9	90%	0.901	77%	0.765	S	S	*	*			trans	-92.3	-160.6	175.4	-57.9	-171.7	158.9	0	0	111
42	P	39.6	Very low	27.2	Very low	111 Å²	111	133.9 Å²	133.9	72%	0.721	77%	0.769	S	S	*	*			cis	-144.5	-165.3	-2.2	29.7	-2	0	0	0	117.6
43	V	25.4	Very low	27.1	Very low	137 Å²	137	132.4 Å²	132.4	83%	0.83	77%	0.774	S	S	*	*			trans	106.9	139.6	150.8	-168.3	0	0	0	0	120.1
44	S	24.1	Very low	27.1	Very low	106 Å²	106	136.3 Å²	136.3	74%	0.741	78%	0.781	S	S	*	*			trans	-86.8	-154.1	-177.4	-34.1	0	0	0	0	113.1
45	P	36.1	Very low	26.9	Very low	117 Å²	117	142.6 Å²	142.6	76%	0.76	79%	0.794	S	S	*	*			cis	-141.8	175.8	-5.1	42.8	-23.5	0	0	0	118.9
46	A	26.4	Very low	26.5	Very low	106 Å²	106	144 Å²	144	88%	0.876	79%	0.794	S	S	*	*			trans	48.7	148.1	141.8	0	0	0	0	0	124.5
47	G	24	Very low	26.5	Very low	70 Å²	70	142 Å²	142	72%	0.722	79%	0.789	S	S	*	*			trans	-161.2	-12.9	-177.3	0	0	0	0	0	124
48	S	25.9	Very low	26.7	Very low	108 Å²	108	142.1 Å²	142.1	76%	0.755	79%	0.789	S	S	*	*			trans	64.8	139.1	163.8	77.3	0	0	0	0	124.5
49	H	27.9	Very low	26.6	Very low	172 Å²	172	140 Å²	140	80%	0.796	79%	0.785	S	S	*	*			trans	90.9	134	133.5	-87.8	-33.1	0	0	0	126.4
50	K	26.6	Very low	26.7	Very low	178 Å²	178	141.9 Å²	141.9	77%	0.774	79%	0.788	S	S	*	*			trans	77.4	155.8	151.7	-73.8	-177.8	176.4	177.9	0	119.6
51	Q	25.6	Very low	26.7	Very low	156 Å²	156	142.6 Å²	142.6	73%	0.729	78%	0.781	S	S	*	*			cis	169.6	128.4	-24.2	171.9	-178.9	13.9	0	0	109
52	Q	27.8	Very low	27.4	Very low	188 Å²	188	138.9 Å²	138.9	88%	0.879	77%	0.771	S	S	*	*			trans	175.9	163.2	143.3	-104.1	172.2	-1.5	0	0	116
53	N	22.9	Very low	26.7	Very low	137 Å²	137	142.6 Å²	142.6	73%	0.733	78%	0.775	S	S	*	*			trans	-116.8	157.9	175.5	-66.2	-17.7	0	0	0	110.6
54	F	25.2	Very low	26.8	Very low	201 Å²	201	146.3 Å²	146.3	88%	0.882	78%	0.78	S	S	*	*				163	158.7	112.5	-101.1	-79.2	0	0	0	115
55	R	23	Very low	26.8	Very low	227 Å²	227	146.5 Å²	146.5	86%	0.857	78%	0.782	S	S	*	*			trans	-107.6	154.1	161.6	-76.2	178.2	166.7	179.8	-3.3	109.8
56	L	27	Very low	26.3	Very low	154 Å²	154	149.3 Å²	149.3	81%	0.806	79%	0.788	S	S	*	*				167.9	147.6	125.9	-97	163.2	0	0	0	116.1
57	N	25.3	Very low	26.2	Very low	130 Å²	130	148.1 Å²	148.1	70%	0.695	77%	0.774	S	S	*	*			trans	141.9	117.9	139.7	-73.9	-26.8	0	0	0	113.5
58	I	27	Very low	26.3	Very low	152 Å²	152	152.9 Å²	152.9	78%	0.779	78%	0.775	S	S	*	*				72.9	133.7	92.5	-67	172	0	0	0	112
59	A	25.5	Very low	26.2	Very low	84 Å²	84	156 Å²	156	69%	0.694	78%	0.775	S	S	*	*			cis	-158.4	-177.7	28.6	0	0	0	0	0	111.7
60	T	26.5	Very low	26.1	Very low	120 Å²	120	151.9 Å²	151.9	74%	0.736	77%	0.771	S	S	*	*			cis	-173.3	143.9	-38.9	39.6	0	0	0	0	111.3
61	Q	25.4	Very low	26	Very low	158 Å²	158	148.8 Å²	148.8	74%	0.738	77%	0.767	S	S	*	*			trans	67.5	163.2	156.4	-66.3	-70	-18.2	0	0	119.7
62	P	37.9	Very low	26	Very low	105 Å²	105	148.5 Å²	148.5	68%	0.682	77%	0.768	S	S	*	*			cis	-132.8	160	-13	35.5	-17.3	0	0	0	117.7
63	K	25.4	Very low	25.9	Very low	188 Å²	188	147.8 Å²	147.8	82%	0.817	76%	0.762	S	S	*	*			trans	19.8	130.6	144.3	-56	174.6	-178.3	176.7	0	121.6
64	K	26.7	Very low	26.1	Very low	215 Å²	215	145.4 Å²	145.4	94%	0.935	76%	0.762	S	S	*	*				-165.1	149.1	112.1	-110.3	173.3	-175.1	178.5	0	113.2
65	S	24.2	Very low	26.3	Very low	110 Å²	110	142.2 Å²	142.2	77%	0.769	76%	0.759	S	S	*	*			trans	-139.6	156.5	171	56.1	0	0	0	0	109.6
66	I	26.3	Very low	26.7	Very low	176 Å²	176	136.8 Å²	136.8	90%	0.903	76%	0.756	S	S	*	*			trans	-169.4	149.6	155.3	-100.5	149.5	0	0	0	107.9
67	S	25	Very low	26.9	Very low	82 Å²	82	132.9 Å²	132.9	57%	0.573	75%	0.752	S	S	*	*			trans	-144.1	-171.4	179.6	55.4	0	0	0	0	109.9
68	F	26.2	Very low	27.1	Very low	170 Å²	170	136.5 Å²	136.5	75%	0.746	76%	0.762	S	S	*	*			trans	84.1	151.6	174.8	-54.9	-68	0	0	0	116.3
69	F	23.8	Very low	27	Very low	172 Å²	172	132.7 Å²	132.7	75%	0.754	76%	0.76	S	S	*	*			cis	-150.4	-167.5	4.4	-122.4	-39.6	0	0	0	112.3
70	A	25.2	Very low	27.1	Very low	87 Å²	87	138.4 Å²	138.4	72%	0.719	77%	0.765	S	S	*	*			trans	78.7	124.9	-177.7	0	0	0	0	0	115.1
71	T	24.2	Very low	27.2	Very low	112 Å²	112	139.1 Å²	139.1	69%	0.687	77%	0.769	S	S	*	*			cis	69.6	129.8	6.1	5	0	0	0	0	116.5
72	M	25.4	Very low	27.3	Very low	151 Å²	151	135.1 Å²	135.1	74%	0.744	77%	0.771	S	S	*	*			cis	-133.7	-161.7	2.2	-24.3	-174.1	87.1	0	0	109.6
73	K	26.2	Very low	26.9	Very low	172 Å²	172	134.7 Å²	134.7	75%	0.748	78%	0.776	S	S	*	*			cis	-165.2	154	0.2	-127.7	163.7	-176.1	170.6	0	106.8
74	A	27.1	Very low	27	Very low	88 Å²	88	132.5 Å²	132.5	73%	0.727	77%	0.773	S	S	*	*			cis	101.7	69.2	1	0	0	0	0	0	120.2
75	T	29.5	Very low	27	Very low	134 Å²	134	130.3 Å²	130.3	82%	0.822	77%	0.767	S	S	*	*			trans	-167.7	151.5	158.6	32.6	0	0	0	0	111.5
76	S	31.4	Very low	27.1	Very low	113 Å²	113	129.9 Å²	129.9	79%	0.79	76%	0.764	S	S	*	*			cis	174.8	154.4	-24.6	50.1	0	0	0	0	108
77	G	31.2	Very low	27.1	Very low	71 Å²	71	131.7 Å²	131.7	73%	0.732	76%	0.759	S	S	*	*			cis	135.1	146	2.7	0	0	0	0	0	112.5
78	K	28.3	Very low	27	Very low	207 Å²	207	135.5 Å²	135.5	90%	0.9	77%	0.77	S	S	*	*			trans	170.7	135.3	162.8	-100.6	166.7	-176	-178.1	0	107.6
79	G	25.5	Very low	26.9	Very low	72 Å²	72	131.3 Å²	131.3	74%	0.742	77%	0.766	S	S	*	*			cis	-174.2	-179.2	-6.6	0	0	0	0	0	107.9
80	Y	27.8	Very low	27.1	Very low	203 Å²	203	129.4 Å²	129.4	80%	0.796	77%	0.768	S	S	*	*			cis	-158.6	141.3	-1.4	-125.1	-89.3	0	0	0	107.5
81	T	28.3	Very low	27.2	Very low	135 Å²	135	130.9 Å²	130.9	83%	0.828	77%	0.773	S	S	*	*			trans	35	136.1	157.6	50	0	0	0	0	122.5
82	G	27.3	Very low	27.3	Very low	75 Å²	75	134.2 Å²	134.2	77%	0.773	78%	0.778	S	S	*	*			cis	156.8	149.8	-6.5	0	0	0	0	0	115.6
83	A	29.3	Very low	27.5	Very low	96 Å²	96	133.7 Å²	133.7	79%	0.793	78%	0.784	S	S	*	*			trans	77.5	122.2	157	0	0	0	0	0	124.3
84	N	27.9	Very low	27.5	Very low	142 Å²	142	131.7 Å²	131.7	76%	0.759	79%	0.786	S	S	*	*			trans	77.5	107	134.2	-69.2	1	0	0	0	126
85	Q	26.5	Very low	27.2	Very low	169 Å²	169	133.8 Å²	133.8	79%	0.79	78%	0.784	S	S	*	*				56.9	107.5	117.8	-64.2	-170.6	-0.6	0	0	123.7
86	S	25.9	Very low	27.1	Very low	101 Å²	101	134.5 Å²	134.5	71%	0.706	78%	0.781	S	S	*	*				83.3	135.1	118.2	80.1	0	0	0	0	124.1
87	R	26.7	Very low	27.2	Very low	214 Å²	214	134.3 Å²	134.3	81%	0.808	78%	0.777	S	S	*	*			trans	69.9	134.7	145	-92.2	-173.1	172.4	-174.3	-1.6	122.2
88	M	23.6	Very low	27.3	Very low	162 Å²	162	136.2 Å²	136.2	80%	0.798	78%	0.777	S	S	*	*			trans	71.1	155.6	147.7	-69.9	176.7	164.7	0	0	118.1
89	A	24.1	Very low	27	Very low	82 Å²	82	134.2 Å²	134.2	68%	0.678	77%	0.771	S	S	*	*			cis	-168.5	154	-24.7	0	0	0	0	0	112
90	V	28.6	Very low	27	Very low	131 Å²	131	137 Å²	137	79%	0.794	77%	0.768	S	S	*	*			trans	34.7	119.4	144.1	-177.7	0	0	0	0	120.1
91	S	26.6	Very low	26.9	Very low	118 Å²	118	135.7 Å²	135.7	83%	0.825	77%	0.767	S	S	*	*			trans	-157.1	148.3	144.7	59.3	0	0	0	0	110.9
92	K	26.1	Very low	26.7	Very low	182 Å²	182	135.3 Å²	135.3	79%	0.791	76%	0.764	S	S	*	*			cis	171.3	126.7	-30.6	-124.9	-173	175.2	-176.5	0	106
93	T	30.5	Very low	26.7	Very low	140 Å²	140	136.2 Å²	136.2	86%	0.859	76%	0.764	S	S	*	*			trans	-70.7	145.8	175.3	-35.1	0	0	0	0	112.6
94	V	24.8	Very low	26.4	Very low	131 Å²	131	139 Å²	139	79%	0.794	77%	0.766	S	S	*	*			trans	-151.2	151.2	172.7	-173.9	0	0	0	0	111.4
95	L	22.3	Very low	26.7	Very low	132 Å²	132	140.9 Å²	140.9	69%	0.691	77%	0.767	S	S	*	*				-166	97.5	-53	-162.5	90.3	0	0	0	112.8
96	I	26.2	Very low	26.7	Very low	148 Å²	148	139.5 Å²	139.5	76%	0.759	77%	0.771	S	S	*	*			trans	67	175.7	148.4	-69.8	172.8	0	0	0	114.6
97	P	33.7	Very low	26.7	Very low	109 Å²	109	141 Å²	141	71%	0.708	77%	0.771	S	S	*	*			cis	-119	-156.1	-11.9	19.7	7.1	0	0	0	113
98	P	33.4	Very low	26.8	Very low	112 Å²	112	138.6 Å²	138.6	73%	0.727	77%	0.773	S	S	*	*				-123.4	-149.2	-50.7	36.7	-16.9	0	0	0	110.5
99	E	22	Very low	27	Very low	165 Å²	165	136 Å²	136	77%	0.771	77%	0.771	S	S	*	*			cis	-154.7	-165.1	-5	-143.7	-164	-77.5	0	0	112.6
100	L	25.8	Very low	27.6	Very low	129 Å²	129	139.5 Å²	139.5	68%	0.675	78%	0.777	S	S	*	*			trans	-50	134	176.5	-109.4	67.4	0	0	0	119.7
101	K	25	Very low	27.7	Very low	177 Å²	177	142.1 Å²	142.1	77%	0.77	78%	0.777	S	S	*	*				169.7	134.4	101.7	-101.5	160.5	-171.4	175.1	0	117.1
102	T	24.3	Very low	28.5	Very low	127 Å²	127	142.4 Å²	142.4	78%	0.779	77%	0.774	S	S	*	*			trans	45.9	126.7	143.8	57.9	0	0	0	0	124.2
103	A	26.7	Very low	29.5	Very low	94 Å²	94	142.3 Å²	142.3	78%	0.777	78%	0.779	S	S	*	*			trans	67.7	152.8	150.3	0	0	0	0	0	117.9
104	D	24.6	Very low	31.5	Very low	153 Å²	153	140.2 Å²	140.2	82%	0.818	76%	0.759	S	S	*	*			cis	-148.1	-175.3	2.4	-137.3	-40.5	0	0	0	112.3
105	K	32.4	Very low	33.5	Very low	182 Å²	182	138.3 Å²	138.3	79%	0.791	75%	0.747	S	S	*	*			trans	-80.4	152.1	-174.5	-58.5	168.3	-177.8	168.7	0	115.5
106	T	26.7	Very low	35.9	Very low	141 Å²	141	137.5 Å²	137.5	87%	0.865	74%	0.738	S	S	*	*				179	-173	119.4	30.1	0	0	0	0	113.6
107	N	26	Very low	37.9	Very low	133 Å²	133	133.9 Å²	133.9	71%	0.711	72%	0.721	S	S	*	*			trans	-122.2	168.4	-153.1	-67.8	-74.1	0	0	0	116.2
108	L	29.9	Very low	39.7	Very low	163 Å²	163	136.4 Å²	136.4	85%	0.853	73%	0.727	S	S	*	*			trans	68.7	114.8	146.3	-80.6	158.8	0	0	0	120
109	S	27.7	Very low	41.4	Very low	107 Å²	107	137.3 Å²	137.3	75%	0.748	73%	0.725	S	S	*	*				175.9	148.8	89.2	-167.5	0	0	0	0	111.5
110	I	35.8	Very low	43.6	Very low	156 Å²	156	132 Å²	132	80%	0.8	72%	0.715	S	S	*	*			trans	-81.4	149.7	160.6	-63.1	166.6	0	0	0	108.3
111	K	31.9	Very low	45.8	Very low	186 Å²	186	130 Å²	130	81%	0.809	71%	0.708	S	S	*	*			trans	-138.6	132.2	167.5	-109.7	-168.1	173.7	-166.4	0	110.3
112	T	42.7	Very low	47.9	Very low	123 Å²	123	124.3 Å²	124.3	76%	0.755	69%	0.686	S	S	*	*			trans	-83.8	153.9	168.4	45.8	0	0	0	0	110.4
113	M	47.3	Very low	50.4	Low	181 Å²	181	122.3 Å²	122.3	89%	0.892	67%	0.673	S	S	*	*			trans	-71.3	155	175.3	-69	-174.1	71.3	0	0	111.9
114	Q	72.7	Confident	52.7	Low	95 Å²	95	120.2 Å²	120.2	44%	0.444	65%	0.651	S	S	.	*			trans	-127.2	147.9	173.6	-64.8	172.8	-98.6	0	0	107.9	F116 D122	Q114-F116 HydrophobicContact CB-CD2 4.48Å; Q114-F116 HydrophobicContact CB-CE2 3.71Å; Q114-F116 HydrophobicContact CB-CZ 4.09Å; Q114-D122 PolarHBondContact NE2-OD2 2.78Å
115	V	65.4	Low	54.4	Low	91 Å²	91	118.6 Å²	118.6	55%	0.552	65%	0.649	S	S	*	*			trans	-112.6	128.5	178.3	-178.3	0	0	0	0	109.1	D122 V123 T124	V115-D122 WeakPolarHBondContact O-CA 3.46Å; V115-V123 HydrophobicContact CG1-CG2 4.27Å; V115-V123 PolarHBondContact O-N 3.24Å; V115-T124 PolarHBondContact N-OG1 3.14Å
116	F	73.1	Confident	55.5	Low	115 Å²	115	120 Å²	120	50%	0.504	65%	0.649	S	S	.	*	B	Isolated β-bridge	trans	-114.8	142.2	-178.9	-62.6	-95.3	0	0	0	110.9	Q114 G120 T121 D122	Q114-F116 HydrophobicContact CB-CD2 4.48Å; Q114-F116 HydrophobicContact CB-CE2 3.71Å; Q114-F116 HydrophobicContact CB-CZ 4.09Å; F116-G120 WeakPolarHBondContact CD1-O 3.46Å; F116-T121 CarbonylContact C-O 3.56Å; F116-T121 VanDerWaalsContact CA-O 3.26Å; F116-T121 WeakPolarHBondContact CA-O 3.46Å; F116-D122 HydrophobicContact CD1-CB 3.99Å; F116-D122 HydrophobicContact CE1-CB 3.73Å; F116-D122 HydrophobicContact CZ-CB 4.35Å
117	D	69.6	Low	56.4	Low	72 Å²	72	119 Å²	119	39%	0.385	65%	0.645	S	S	.	*			trans	-69.5	165.3	167.1	175.1	52.3	0	0	0	111.6	N119 G120 T121 V123	D117-N119 PolarHBondContact O-N 2.87Å; D117-N119 PolarHBondContact OD2-N 2.69Å; D117-N119 PolarHBondContact OD2-ND2 2.92Å; D117-N119 VanDerWaalsContact OD2-ND2 3.11Å; D117-G120 PolarHBondContact O-N 3.22Å; D117-T121 PolarHBondContact N-O 3.41Å; D117-V123 HydrophobicContact CB-CG1 4.12Å
118	I	71.5	Confident	57.3	Low	162 Å²	162	121.2 Å²	121.2	83%	0.831	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.1	-23.7	178.3	65.1	175.7	0	0	0	113.6	G120	I118-G120 VanDerWaalsContact C-N 3.33Å
119	N	67.8	Low	57.4	Low	131 Å²	131	122.5 Å²	122.5	70%	0.701	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	12	173.9	-61.3	-71.2	0	0	0	114	D117 T121	D117-N119 PolarHBondContact O-N 2.87Å; D117-N119 PolarHBondContact OD2-N 2.69Å; D117-N119 PolarHBondContact OD2-ND2 2.92Å; D117-N119 VanDerWaalsContact OD2-ND2 3.11Å; N119-T121 PolarHBondContact O-N 2.98Å
120	G	69.6	Low	58	Low	53 Å²	53	125.2 Å²	125.2	55%	0.546	65%	0.651	S	S	.	*	S	Bend	trans	76.5	16.4	174.7	0	0	0	0	0	115.7	F116 D117 I118	F116-G120 WeakPolarHBondContact CD1-O 3.46Å; D117-G120 PolarHBondContact O-N 3.22Å; I118-G120 VanDerWaalsContact C-N 3.33Å
121	T	71.3	Confident	57.8	Low	88 Å²	88	122.4 Å²	122.4	54%	0.54	64%	0.644	S	S	.	*			trans	-93.8	132.5	177.9	-57.6	0	0	0	0	110.9	F116 D117 N119 V123	F116-T121 CarbonylContact C-O 3.56Å; F116-T121 VanDerWaalsContact CA-O 3.26Å; F116-T121 WeakPolarHBondContact CA-O 3.46Å; D117-T121 PolarHBondContact N-O 3.41Å; N119-T121 PolarHBondContact O-N 2.98Å; T121-V123 PolarHBondContact O-N 2.75Å
122	D	69.6	Low	57.8	Low	58 Å²	58	120.5 Å²	120.5	31%	0.31	64%	0.642	S	S	.	*	B	Isolated β-bridge	trans	-69.4	117.5	176	-175.4	-6	0	0	0	110.3	Q114 V115 F116 T124	Q114-D122 PolarHBondContact NE2-OD2 2.78Å; V115-D122 WeakPolarHBondContact O-CA 3.46Å; F116-D122 HydrophobicContact CD1-CB 3.99Å; F116-D122 HydrophobicContact CE1-CB 3.73Å; F116-D122 HydrophobicContact CZ-CB 4.35Å; D122-T124 WeakPolarHBondContact OD1-CB 3.41Å; D122-T124 PolarHBondContact OD1-N 3.27Å; D122-T124 PolarHBondContact OD1-OG1 2.65Å
123	V	75.8	Confident	57.3	Low	84 Å²	84	120.1 Å²	120.1	51%	0.509	64%	0.642	S	S	.	*			trans	-112.4	15	-178.1	-66.7	0	0	0	0	112.4	V115 D117 T121 P125	V115-V123 HydrophobicContact CG1-CG2 4.27Å; V115-V123 PolarHBondContact O-N 3.24Å; D117-V123 HydrophobicContact CB-CG1 4.12Å; T121-V123 PolarHBondContact O-N 2.75Å; V123-P125 WeakPolarHBondContact O-CD 3.46Å; V123-P125 VanDerWaalsContact O-N 3.16Å
124	T	75.9	Confident	56.5	Low	51 Å²	51	118.9 Å²	118.9	31%	0.313	64%	0.638	S	S	.	*			trans	-60.1	115.3	-180	-48.7	0	0	0	0	110.8	V115 D122	V115-T124 PolarHBondContact N-OG1 3.14Å; D122-T124 WeakPolarHBondContact OD1-CB 3.41Å; D122-T124 PolarHBondContact OD1-N 3.27Å; D122-T124 PolarHBondContact OD1-OG1 2.65Å
125	P	59.1	Low	54.7	Low	119 Å²	119	121.3 Å²	121.3	77%	0.773	66%	0.659	S	S	*	*			trans	-68.8	136	-171	26.4	-34.3	0	0	0	112.2	V123	V123-P125 WeakPolarHBondContact O-CD 3.46Å; V123-P125 VanDerWaalsContact O-N 3.16Å
126	R	55.4	Low	52.9	Low	211 Å²	211	120.2 Å²	120.2	80%	0.796	67%	0.667	S	S	*	*			trans	-105.7	137.5	-175.9	-61.8	-173.1	-176.8	-170.3	1.9	112.1
127	P	46.7	Very low	50.8	Low	119 Å²	119	122.1 Å²	122.1	77%	0.773	69%	0.688	S	S	*	*			trans	-62.8	142.2	175.4	-23.8	34.6	0	0	0	113.9	Y129	P127-Y129 PolarHBondContact O-N 2.73Å
128	L	44.3	Very low	48.8	Very low	180 Å²	180	122.7 Å²	122.7	94%	0.942	70%	0.703	S	S	*	*	S	Bend	trans	-88.8	59.8	-174	-77.6	165.1	0	0	0	114.1
129	Y	32.2	Very low	46.6	Very low	191 Å²	191	124.6 Å²	124.6	75%	0.749	71%	0.705	S	S	*	*			trans	-156.6	128.6	160.1	-158.6	-107.4	0	0	0	114	P127 P131	P127-Y129 PolarHBondContact O-N 2.73Å; Y129-P131 HydrophobicContact CD1-CG 4.43Å; Y129-P131 HydrophobicContact CE1-CB 4.29Å; Y129-P131 HydrophobicContact CE1-CG 4.05Å
130	H	39.8	Very low	45.2	Very low	163 Å²	163	123.2 Å²	123.2	76%	0.755	70%	0.703	S	S	*	*			trans	-140.6	111.5	171.7	-76.7	-36.4	0	0	0	111
131	P	31.4	Very low	43.2	Very low	98 Å²	98	127.5 Å²	127.5	64%	0.636	71%	0.713	S	S	*	*			trans	-86.8	115.3	161.9	32.2	-26.5	0	0	0	109.2	Y129	Y129-P131 HydrophobicContact CD1-CG 4.43Å; Y129-P131 HydrophobicContact CE1-CB 4.29Å; Y129-P131 HydrophobicContact CE1-CG 4.05Å
132	D	33.1	Very low	41.2	Very low	145 Å²	145	132.4 Å²	132.4	78%	0.775	73%	0.728	S	S	*	*			trans	-104.2	119.7	-169.7	-169.5	27.8	0	0	0	112.9
133	P	32.7	Very low	39.1	Very low	115 Å²	115	136.6 Å²	136.6	75%	0.747	75%	0.749	S	S	*	*			trans	-113	73.4	-173.3	40	-30.8	0	0	0	114.1
134	L	30.3	Very low	36.9	Very low	156 Å²	156	140.1 Å²	140.1	82%	0.817	76%	0.764	S	S	*	*			trans	-121.4	91	164.7	-86.6	174.3	0	0	0	112.7
135	T	33.7	Very low	34.5	Very low	145 Å²	145	144.8 Å²	144.8	89%	0.89	79%	0.793	S	S	*	*			trans	-75.6	133.7	154.9	52.3	0	0	0	0	109.3
136	G	28.5	Very low	33.1	Very low	69 Å²	69	143.3 Å²	143.3	71%	0.711	79%	0.785	S	S	*	*			cis	137.2	-174.5	3.8	0	0	0	0	0	110.5
137	T	28	Very low	32	Very low	155 Å²	155	140.5 Å²	140.5	95%	0.951	78%	0.781	S	S	*	*			trans	-140.3	163.5	166.9	46.9	0	0	0	0	110.6
138	A	27.3	Very low	31.2	Very low	84 Å²	84	142.8 Å²	142.8	69%	0.694	78%	0.782	S	S	*	*			trans	-108	142.3	-163.1	0	0	0	0	0	114.2
139	K	26.4	Very low	30.4	Very low	201 Å²	201	138 Å²	138	87%	0.874	78%	0.776	S	S	*	*			trans	53.7	155.8	140.3	-66.4	178.5	-178.5	176.4	0	119.1
140	P	39	Very low	30.2	Very low	103 Å²	103	134 Å²	134	67%	0.669	78%	0.775	S	S	*	*			cis	-135.9	-166.5	8.3	40.1	-20	0	0	0	115.2
141	N	27.3	Very low	29.8	Very low	142 Å²	142	134.5 Å²	134.5	76%	0.759	78%	0.783	S	S	*	*			trans	77.6	100.6	152.1	-66.1	-13.4	0	0	0	122
142	K	29	Very low	29.6	Very low	192 Å²	192	133 Å²	133	84%	0.835	78%	0.784	S	S	*	*				31.3	139.1	116.9	-79.6	-167.9	175.8	-172.7	0	121.9
143	L	25.9	Very low	30	Very low	145 Å²	145	132.2 Å²	132.2	76%	0.759	79%	0.787	S	S	*	*			trans	96.6	113	139	-81.5	162.9	0	0	0	120.4
144	L	29.4	Very low	29.6	Very low	159 Å²	159	134 Å²	134	83%	0.832	79%	0.786	S	S	*	*			trans	-3.5	127.1	145.8	-62.1	165.4	0	0	0	118.7
145	T	25.8	Very low	29.5	Very low	149 Å²	149	134.2 Å²	134.2	91%	0.914	78%	0.78	S	S	*	*			trans	-144.8	159.6	135.9	39	0	0	0	0	110.5
146	S	28.6	Very low	29.4	Very low	87 Å²	87	134 Å²	134	61%	0.608	77%	0.773	S	S	*	*			trans	-114.8	-179.9	180	45.6	0	0	0	0	111.6
147	Q	33	Very low	29.5	Very low	153 Å²	153	135.7 Å²	135.7	72%	0.715	77%	0.774	S	S	*	*			trans	73.9	157.2	164.2	-69.2	149.1	-91	0	0	116.1
148	E	29.2	Very low	29.7	Very low	167 Å²	167	132.8 Å²	132.8	78%	0.78	76%	0.76	S	S	*	*			cis	-147.9	163.1	5.8	-146	139.6	-126.4	0	0	113.6
149	G	27.6	Very low	29.8	Very low	79 Å²	79	137.1 Å²	137.1	81%	0.814	77%	0.765	S	S	*	*			trans	-177.2	113.9	169.7	0	0	0	0	0	110.1
150	S	28.4	Very low	30.1	Very low	106 Å²	106	131.8 Å²	131.8	74%	0.741	75%	0.753	S	S	*	*			trans	-120.7	145.6	-162.9	-177.7	0	0	0	0	113.3
151	L	30.6	Very low	29.8	Very low	175 Å²	175	132.2 Å²	132.2	92%	0.916	75%	0.749	S	S	*	*				175.8	141.4	128.9	-90.1	164.7	0	0	0	109.7
152	G	28.1	Very low	29.9	Very low	65 Å²	65	134.6 Å²	134.6	67%	0.67	75%	0.749	S	S	*	*			trans	-126.4	-150.5	177.8	0	0	0	0	0	111.6
153	P	41.2	Very low	30	Very low	129 Å²	129	131.7 Å²	131.7	84%	0.838	74%	0.738	S	S	*	*			cis	-114.4	-142.7	1.2	21.6	5	0	0	0	110.8
154	E	24.5	Very low	30.1	Very low	154 Å²	154	130 Å²	130	72%	0.72	73%	0.73	S	S	*	*			cis	-150.7	-168.6	14.5	-79.4	-157.9	99.3	0	0	112.2
155	F	28.3	Very low	30	Very low	159 Å²	159	127.9 Å²	127.9	70%	0.697	72%	0.724	S	S	*	*			trans	69.3	82.7	161.8	-72.9	-76.5	0	0	0	121.5
156	I	31.9	Very low	30.2	Very low	141 Å²	141	128.7 Å²	128.7	72%	0.723	72%	0.721	S	S	*	*				39.8	107.8	109	-57	169.5	0	0	0	114.9
157	S	29.3	Very low	30.2	Very low	105 Å²	105	131.4 Å²	131.4	73%	0.734	73%	0.729	S	S	*	*				166.5	166.3	70.2	32.2	0	0	0	0	109
158	S	31.9	Very low	30.9	Very low	94 Å²	94	128.9 Å²	128.9	66%	0.657	73%	0.725	S	S	*	*			cis	-165	158.1	-13.9	48	0	0	0	0	109.9
159	H	30.2	Very low	31	Very low	175 Å²	175	125.6 Å²	125.6	81%	0.81	72%	0.721	S	S	*	*			trans	39.2	144.4	147.8	-64.3	-51.9	0	0	0	123
160	S	32.5	Very low	31.1	Very low	89 Å²	89	129.5 Å²	129.5	62%	0.622	72%	0.72	S	S	*	*			cis	-172.1	146.3	-5.2	47.5	0	0	0	0	112.7
161	L	32.2	Very low	31.1	Very low	112 Å²	112	132.8 Å²	132.8	59%	0.586	73%	0.728	S	S	*	*				31.7	147.4	124.3	-48.2	165.4	0	0	0	119.6
162	Y	31	Very low	30.9	Very low	191 Å²	191	128 Å²	128	75%	0.749	72%	0.721	S	S	*	*			cis	-135	157.7	24.8	-82.7	-99.4	0	0	0	111.2
163	Q	31	Very low	31	Very low	131 Å²	131	133 Å²	133	61%	0.612	73%	0.727	S	S	*	*			cis	68.5	146.2	44.9	-87	-168.6	-5.5	0	0	114
164	N	27.1	Very low	30.3	Very low	111 Å²	111	136.2 Å²	136.2	59%	0.594	73%	0.728	S	S	*	*			cis	-160.7	178.7	8.7	-139.2	-19.3	0	0	0	114.9
165	T	27.7	Very low	30.5	Very low	114 Å²	114	134.9 Å²	134.9	70%	0.699	73%	0.731	S	S	*	*			trans	72.7	152.8	149.9	44.5	0	0	0	0	120.2
166	I	29.8	Very low	30.5	Very low	165 Å²	165	138.2 Å²	138.2	85%	0.846	74%	0.739	S	S	*	*			cis	-137	173.5	12.8	-132	146.8	0	0	0	112.8
167	N	28.3	Very low	30.3	Very low	145 Å²	145	135.9 Å²	135.9	78%	0.775	74%	0.735	S	S	*	*			trans	-115.9	-153.1	-165.2	-151.3	2.5	0	0	0	113.1
168	P	49.1	Very low	30.2	Very low	99 Å²	99	136.8 Å²	136.8	64%	0.643	74%	0.736	S	S	*	*				-126	-170.8	-128.2	43.4	-24.9	0	0	0	116
169	S	29.6	Very low	30.1	Very low	98 Å²	98	140.4 Å²	140.4	69%	0.685	75%	0.747	S	S	*	*				146.6	169.5	127.4	65.7	0	0	0	0	116.7
170	M	30.2	Very low	29.9	Very low	162 Å²	162	135.2 Å²	135.2	80%	0.798	74%	0.74	S	S	*	*			trans	70.9	117.6	173.4	-50.9	-51.9	-178.8	0	0	116.9
171	L	28	Very low	29.7	Very low	174 Å²	174	136.2 Å²	136.2	91%	0.911	75%	0.747	S	S	*	*			cis	92.4	116	35.4	-162.4	105	0	0	0	113.3
172	G	27.7	Very low	29.5	Very low	75 Å²	75	135.2 Å²	135.2	77%	0.773	75%	0.75	S	S	*	*			trans	170.2	141.4	175.7	0	0	0	0	0	112.7
173	Q	29.4	Very low	29.5	Very low	171 Å²	171	130.9 Å²	130.9	80%	0.799	74%	0.744	S	S	*	*			trans	-113	166.1	-179.8	-64.4	167.5	-33.9	0	0	110.5
174	F	27.3	Very low	29.5	Very low	196 Å²	196	130.1 Å²	130.1	86%	0.86	75%	0.748	S	S	*	*				175.2	179.1	121.2	-88.5	-55.1	0	0	0	112.7
175	T	27.8	Very low	29.5	Very low	125 Å²	125	130.2 Å²	130.2	77%	0.767	76%	0.757	S	S	*	*			trans	-126.1	138.5	-148.3	32.1	0	0	0	0	116.8
176	R	28.9	Very low	29.6	Very low	229 Å²	229	133.9 Å²	133.9	86%	0.864	76%	0.763	S	S	*	*				60.7	96.2	129.9	-142.5	-150.6	-179.1	-166.4	0.2	119.9
177	S	26.5	Very low	29.5	Very low	92 Å²	92	131.5 Å²	131.5	64%	0.643	76%	0.761	S	S	*	*				80.5	157.5	121.5	70.3	0	0	0	0	124.5
178	V	27	Very low	29.7	Very low	124 Å²	124	129.4 Å²	129.4	75%	0.752	76%	0.758	S	S	*	*			trans	109.5	141.4	153.6	-173.7	0	0	0	0	117.1
179	L	30.5	Very low	28.9	Very low	170 Å²	170	131 Å²	131	89%	0.89	77%	0.766	S	S	*	*			trans	73.7	125.7	179.9	-71.9	144.1	0	0	0	117.6
180	G	26.5	Very low	28.8	Very low	66 Å²	66	131.5 Å²	131.5	68%	0.68	77%	0.769	S	S	*	*			cis	141.8	87.7	-22.5	0	0	0	0	0	117.4
181	S	27.2	Very low	28.7	Very low	110 Å²	110	129.3 Å²	129.3	77%	0.769	77%	0.765	S	S	*	*			trans	-173.4	150.3	159.1	-86.9	0	0	0	0	109.9
182	S	29.3	Very low	28.9	Very low	91 Å²	91	125.2 Å²	125.2	64%	0.636	75%	0.751	S	S	*	*			cis	-165.8	143.9	-6.4	46.4	0	0	0	0	112.5
183	T	29.7	Very low	29.1	Very low	101 Å²	101	129.4 Å²	129.4	62%	0.62	75%	0.75	S	S	*	*			trans	55	110.5	150.7	51.3	0	0	0	0	119.9
184	V	31.6	Very low	29	Very low	115 Å²	115	124.2 Å²	124.2	70%	0.697	73%	0.733	S	S	*	*				79	135.8	91.3	164.9	0	0	0	0	113.2	T34	T34-V184 HydrophobicContact CG2-CG1 3.78Å
185	S	27.5	Very low	29.2	Very low	112 Å²	112	122.2 Å²	122.2	78%	0.783	73%	0.73	S	S	*	*			cis	-145.7	-166.6	27.2	-153	0	0	0	0	115.3
186	K	29.6	Very low	29.3	Very low	191 Å²	191	120 Å²	120	83%	0.83	72%	0.724	S	S	*	*			trans	-118.6	-178.8	-173.5	-61.6	-177.5	175.3	-176.8	0	114.8
187	S	28.3	Very low	29.2	Very low	116 Å²	116	117.7 Å²	117.7	81%	0.811	72%	0.723	S	S	*	*			trans	92.2	152	151	77.8	0	0	0	0	119.1
188	S	32.2	Very low	29.3	Very low	101 Å²	101	119.9 Å²	119.9	71%	0.706	73%	0.727	S	S	*	*			cis	-175	142.4	-26.2	51.6	0	0	0	0	113.9
189	V	31.7	Very low	29.5	Very low	133 Å²	133	120.4 Å²	120.4	81%	0.806	73%	0.725	S	S	*	*			trans	40.2	116.9	146.2	-173.8	0	0	0	0	122.2
190	S	28.6	Very low	29.4	Very low	107 Å²	107	121.7 Å²	121.7	75%	0.748	73%	0.727	S	S	*	*			trans	179.4	130.1	140	43.5	0	0	0	0	107.8
191	T	28.3	Very low	29.5	Very low	116 Å²	116	126.3 Å²	126.3	71%	0.712	73%	0.731	S	S	*	*			cis	81.3	120.1	46.9	62.7	0	0	0	0	115.8
192	S	31.3	Very low	29.9	Very low	88 Å²	88	125.7 Å²	125.7	62%	0.615	72%	0.724	S	S	*	*			trans	61.7	148.2	154.9	51.6	0	0	0	0	118.3
193	E	31.5	Very low	29.7	Very low	163 Å²	163	127.3 Å²	127.3	76%	0.762	74%	0.735	S	S	*	*			cis	-167.2	176.7	0.7	-123.5	164.7	-154.7	0	0	110.8
194	S	27.4	Very low	29.7	Very low	63 Å²	63	132.1 Å²	132.1	44%	0.441	74%	0.744	S	S	.	*				157.7	155	124.8	55.4	0	0	0	0	115.6	Q303	S194-Q303 PolarHBondContact O-NE2 2.9Å; S194-Q303 VanDerWaalsContact O-NE2 3.14Å; S194-Q303 PolarHBondContact OG-NE2 3.24Å
195	I	30.9	Very low	29.5	Very low	154 Å²	154	135.7 Å²	135.7	79%	0.79	75%	0.75	S	S	*	*			trans	69.9	128	161.8	-66.1	155.1	0	0	0	115.9
196	A	30.5	Very low	29.5	Very low	79 Å²	79	141.7 Å²	141.7	65%	0.653	76%	0.755	S	S	*	*			cis	-153.2	155.6	-9.9	0	0	0	0	0	107.7
197	E	27.4	Very low	29.2	Very low	179 Å²	179	141.2 Å²	141.2	84%	0.836	76%	0.756	S	S	*	*				49.4	117.1	71.1	-79.3	176.5	161.6	0	0	111.6
198	D	29.3	Very low	29.2	Very low	138 Å²	138	146.4 Å²	146.4	74%	0.738	76%	0.758	S	S	*	*				-167.5	174.5	62.1	-93.5	-22.8	0	0	0	109.7
199	L	31.1	Very low	29.1	Very low	135 Å²	135	148.2 Å²	148.2	71%	0.707	76%	0.759	S	S	*	*			cis	-165.8	144.1	-13.5	-116.2	163.5	0	0	0	108.4
200	E	27.4	Very low	28.9	Very low	198 Å²	198	148.2 Å²	148.2	93%	0.925	76%	0.759	S	S	*	*				-172.2	152.3	130	-110.9	-176.7	-169.9	0	0	112.6
201	E	28	Very low	28.8	Very low	163 Å²	163	147.8 Å²	147.8	76%	0.762	76%	0.756	S	S	*	*			trans	-133.4	176.2	-169.3	-113.5	-158	162.5	0	0	109.9
202	P	36.4	Very low	29.2	Very low	96 Å²	96	152.5 Å²	152.5	62%	0.623	77%	0.767	S	S	*	*			cis	-133.7	168	-23.3	35.3	-19	0	0	0	113.4
203	S	25.8	Very low	29.4	Very low	125 Å²	125	153.3 Å²	153.3	87%	0.874	77%	0.769	S	S	*	*			trans	-146.9	140.7	149.8	67.8	0	0	0	0	111.8
204	Y	30.1	Very low	29.4	Very low	203 Å²	203	151.4 Å²	151.4	80%	0.796	76%	0.764	S	S	*	*			trans	-109.6	130.5	-162.9	-113.5	-59.5	0	0	0	114.1
205	K	26.7	Very low	29.7	Very low	190 Å²	190	157 Å²	157	83%	0.826	79%	0.788	S	S	*	*			trans	76.7	144.7	168.2	-52.9	165	-173	170.5	0	113.2
206	R	27.4	Very low	30	Very low	237 Å²	237	156.6 Å²	156.6	89%	0.894	78%	0.782	S	S	*	*			cis	-149.3	145.5	27.5	-165.6	-176.8	-164.7	155.1	2.4	112.5
207	E	24.1	Very low	30.1	Very low	182 Å²	182	157.2 Å²	157.2	85%	0.85	78%	0.778	S	S	*	*			trans	-64	144.3	169.3	-53.3	152.7	99.3	0	0	111.7
208	R	27.1	Very low	30.5	Very low	224 Å²	224	156.7 Å²	156.7	85%	0.845	78%	0.779	S	S	*	*				-163.9	129.3	110.8	-139.6	176.3	-177.5	177.5	-0.9	114.4
209	L	30.9	Very low	31.2	Very low	139 Å²	139	160.5 Å²	160.5	73%	0.728	78%	0.783	S	S	*	*			trans	14.7	121.6	150.1	-57.3	171.5	0	0	0	119.6	S211	L209-S211 PolarHBondContact O-N 3.17Å
210	T	28.1	Very low	31.3	Very low	133 Å²	133	158.1 Å²	158.1	82%	0.816	78%	0.783	S	S	*	*			trans	-9	115.7	146.4	52.6	0	0	0	0	117
211	S	26.4	Very low	31.9	Very low	99 Å²	99	152.5 Å²	152.5	69%	0.692	77%	0.771	S	S	*	*			trans	-84	142.3	156.7	-174.7	0	0	0	0	110.3	L209 T213	L209-S211 PolarHBondContact O-N 3.17Å; S211-T213 VanDerWaalsContact C-N 3.31Å; S211-T213 PolarHBondContact O-N 2.76Å; S211-T213 PolarHBondContact OG-OG1 3.28Å
212	F	34.8	Very low	32.8	Very low	215 Å²	215	150.6 Å²	150.6	94%	0.943	77%	0.773	S	S	*	*	S	Bend	trans	-72.6	83	167.1	-94.8	-104.3	0	0	0	109.5
213	T	37.4	Very low	33.2	Very low	104 Å²	104	155.4 Å²	155.4	64%	0.638	79%	0.786	S	S	*	*			trans	-154.5	55.8	-179.8	-31.1	0	0	0	0	114	S211	S211-T213 VanDerWaalsContact C-N 3.31Å; S211-T213 PolarHBondContact O-N 2.76Å; S211-T213 PolarHBondContact OG-OG1 3.28Å
214	D	30.8	Very low	34.5	Very low	124 Å²	124	156.1 Å²	156.1	66%	0.663	77%	0.774	S	S	*	*			trans	-160.9	61.9	146.6	-120.8	1.7	0	0	0	113.4	Q216	D214-Q216 VanDerWaalsContact C-N 3.28Å; D214-Q216 HydrophobicContact CB-CG 4.4Å; D214-Q216 PolarHBondContact O-N 3.4Å; D214-Q216 VanDerWaalsContact O-N 3.15Å; D214-Q216 WeakPolarHBondContact OD1-CG 3.16Å; D214-Q216 PolarHBondContact OD2-NE2 3.48Å
215	L	33.1	Very low	35.8	Very low	181 Å²	181	154.3 Å²	154.3	95%	0.948	78%	0.776	S	S	*	*			trans	-74.2	90	151.5	-96.1	172.2	0	0	0	107.1	V217	L215-V217 PolarHBondContact O-N 3.28Å
216	Q	36.6	Very low	37.2	Very low	144 Å²	144	149.7 Å²	149.7	67%	0.673	76%	0.764	S	S	*	*			trans	-70.8	103.3	-178.5	-73.9	-160.9	5.2	0	0	112.1	D214	D214-Q216 VanDerWaalsContact C-N 3.28Å; D214-Q216 HydrophobicContact CB-CG 4.4Å; D214-Q216 PolarHBondContact O-N 3.4Å; D214-Q216 VanDerWaalsContact O-N 3.15Å; D214-Q216 WeakPolarHBondContact OD1-CG 3.16Å; D214-Q216 PolarHBondContact OD2-NE2 3.48Å
217	V	33.4	Very low	39	Very low	92 Å²	92	141.5 Å²	141.5	56%	0.558	74%	0.74	S	S	*	*			trans	61.2	94.5	135.3	-170	0	0	0	0	116.2	L215 R219	L215-V217 PolarHBondContact O-N 3.28Å; V217-R219 HydrophobicContact CG1-CB 3.68Å; V217-R219 HydrophobicContact CG1-CG 3.47Å; V217-R219 VanDerWaalsContact CG1-CG 3.47Å; V217-R219 PolarHBondContact O-N 3.43Å
218	I	36.4	Very low	41.1	Very low	168 Å²	168	141.3 Å²	141.3	86%	0.862	74%	0.737	S	S	*	*			trans	-67.1	115.5	144.7	-62.8	176.3	0	0	0	107
219	R	42.7	Very low	42.9	Very low	218 Å²	218	137.3 Å²	137.3	82%	0.823	73%	0.727	S	S	*	*			trans	-111.9	74.1	-179.5	-126.8	175.2	-166.4	-178.9	5.2	111.5	V217	V217-R219 HydrophobicContact CG1-CB 3.68Å; V217-R219 HydrophobicContact CG1-CG 3.47Å; V217-R219 VanDerWaalsContact CG1-CG 3.47Å; V217-R219 PolarHBondContact O-N 3.43Å
220	A	33.1	Very low	44.5	Very low	86 Å²	86	132.8 Å²	132.8	71%	0.711	70%	0.704	S	S	*	*			trans	-150.8	135.9	166.5	0	0	0	0	0	107.9
221	A	40.2	Very low	46.4	Very low	80 Å²	80	132.9 Å²	132.9	66%	0.661	70%	0.699	S	S	*	*			cis	-140.8	165.9	-8.8	0	0	0	0	0	108	E223	A221-E223 PolarHBondContact O-N 3.18Å
222	P	48.3	Very low	48.5	Very low	123 Å²	123	136 Å²	136	80%	0.799	70%	0.702	S	S	*	*			trans	-66.1	110.2	173.4	27	-33.8	0	0	0	110.1	K224	P222-K224 PolarHBondContact O-N 2.85Å
223	E	43.8	Very low	50.1	Low	196 Å²	196	131.8 Å²	131.8	92%	0.916	68%	0.684	S	S	*	*			trans	-65.5	109	166.2	-73.2	-164.4	154	0	0	108.6	A221	A221-E223 PolarHBondContact O-N 3.18Å
224	K	54.2	Low	51.8	Low	141 Å²	141	135 Å²	135	61%	0.613	70%	0.697	S	S	*	*			trans	-61.8	153.1	174	-57.5	168.7	-177.8	173.2	0	109.4	P222 V226 D230	P222-K224 PolarHBondContact O-N 2.85Å; K224-V226 PolarHBondContact O-N 2.75Å; K224-D230 WeakPolarHBondContact CD-OD2 3.4Å; K224-D230 IonicContact NZ-OD1 3.81Å; K224-D230 IonicContact NZ-OD2 2.7Å; K224-D230 PolarHBondContact NZ-OD2 3.21Å
225	I	55.4	Low	53.5	Low	165 Å²	165	135.9 Å²	135.9	85%	0.846	70%	0.7	S	S	*	*			trans	-60.3	114.5	155.8	-62.4	170.2	0	0	0	106.6	T227	I225-T227 PolarHBondContact O-N 3.1Å
226	V	56.3	Low	55.1	Low	92 Å²	92	135.9 Å²	135.9	56%	0.558	70%	0.696	S	S	*	*			trans	-62.9	108.1	-175.2	176.2	0	0	0	0	109.4	K224 D230 L231	K224-V226 PolarHBondContact O-N 2.75Å; V226-D230 HydrophobicContact CG1-CB 4.45Å; V226-L231 HydrophobicContact CG1-CD1 3.95Å; V226-L231 HydrophobicContact CG1-CD2 4.49Å; V226-L231 HydrophobicContact CG1-CG 3.71Å
227	T	66.4	Low	56.5	Low	66 Å²	66	135.4 Å²	135.4	41%	0.405	70%	0.696	S	S	.	*			trans	-69.8	155.6	164.8	65.3	0	0	0	0	108.8	I225 E229 D230	I225-T227 PolarHBondContact O-N 3.1Å; T227-E229 PolarHBondContact O-N 3.02Å; T227-D230 PolarHBondContact O-N 2.84Å
228	K	67.4	Low	57.9	Low	178 Å²	178	138 Å²	138	77%	0.774	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.4	-23.6	-177.9	-149.2	176.9	-177.6	-173.7	0	112.6
229	E	65.6	Low	59.5	Low	139 Å²	139	137.3 Å²	137.3	65%	0.65	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-24.1	176.6	-59.6	130.7	-150.5	0	0	114.3	T227 L231	T227-E229 PolarHBondContact O-N 3.02Å; E229-L231 VanDerWaalsContact C-N 3.29Å
230	D	63.9	Low	60.4	Low	44 Å²	44	133 Å²	133	24%	0.235	70%	0.701	C	S	.	*	T	Hydrogen-bonded Turn	trans	-76.6	-18.6	176.5	-95.9	-9.7	0	0	0	111.4	K224 V226 T227 K233	K224-D230 WeakPolarHBondContact CD-OD2 3.4Å; K224-D230 IonicContact NZ-OD1 3.81Å; K224-D230 IonicContact NZ-OD2 2.7Å; K224-D230 PolarHBondContact NZ-OD2 3.21Å; V226-D230 HydrophobicContact CG1-CB 4.45Å; T227-D230 PolarHBondContact O-N 2.84Å; D230-K233 IonicContact OD1-NZ 2.67Å; D230-K233 PolarHBondContact OD1-NZ 2.65Å
231	L	67.5	Low	62.2	Low	135 Å²	135	138.5 Å²	138.5	71%	0.707	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	-18.8	175.6	-84.5	162.1	0	0	0	114.8	V226 E229 K233	V226-L231 HydrophobicContact CG1-CD1 3.95Å; V226-L231 HydrophobicContact CG1-CD2 4.49Å; V226-L231 HydrophobicContact CG1-CG 3.71Å; E229-L231 VanDerWaalsContact C-N 3.29Å; L231-K233 VanDerWaalsContact C-N 3.28Å; L231-K233 PolarHBondContact O-N 2.69Å
232	E	71.5	Confident	63.3	Low	164 Å²	164	140.8 Å²	140.8	77%	0.766	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	6.9	-178.5	-62.8	-175.6	164.8	0	0	112.6
233	K	66.9	Low	64.2	Low	127 Å²	127	143.6 Å²	143.6	55%	0.552	72%	0.72	S	S	*	*			trans	-93.2	109.4	-179	-68.4	172.4	-174.2	171.4	0	110.8	D230 L231 I235	D230-K233 IonicContact OD1-NZ 2.67Å; D230-K233 PolarHBondContact OD1-NZ 2.65Å; L231-K233 VanDerWaalsContact C-N 3.28Å; L231-K233 PolarHBondContact O-N 2.69Å; K233-I235 PolarHBondContact O-N 3.34Å
234	N	75	Confident	65.6	Low	171 Å²	171	140.7 Å²	140.7	91%	0.914	72%	0.716	S	S	*	*			trans	-61.1	125.2	169.6	-70.1	-20.6	0	0	0	110.2
235	I	64.9	Low	66.6	Low	144 Å²	144	139.6 Å²	139.6	74%	0.738	72%	0.716	S	S	*	*			trans	-106.4	124.7	174.5	-57.3	177.6	0	0	0	108.4	K233 I237	K233-I235 PolarHBondContact O-N 3.34Å; I235-I237 HydrophobicContact CG2-CG1 4.06Å
236	E	66.8	Low	67.1	Low	181 Å²	181	141.7 Å²	141.7	85%	0.846	71%	0.713	S	S	*	*			trans	-93.3	124.5	173.8	-171.7	168	-145.7	0	0	109.5
237	I	67.1	Low	67.6	Low	134 Å²	134	146 Å²	146	69%	0.687	73%	0.725	S	S	*	*			trans	-116.1	116.8	-176	-56.9	178.1	0	0	0	109.1	I235 L239	I235-I237 HydrophobicContact CG2-CG1 4.06Å; I237-L239 HydrophobicContact CG2-CD2 4.12Å
238	I	63.1	Low	67.7	Low	145 Å²	145	150.9 Å²	150.9	74%	0.744	74%	0.741	S	S	*	*			trans	-99.9	125.2	176.4	-57.2	175.1	0	0	0	108.4
239	L	68.9	Low	68.2	Low	154 Å²	154	148 Å²	148	81%	0.806	73%	0.734	S	S	*	*			trans	-104.2	141.1	179.3	-61.7	174.9	0	0	0	110.7	I237	I237-L239 HydrophobicContact CG2-CD2 4.12Å
240	T	62.9	Low	68.8	Low	129 Å²	129	147.4 Å²	147.4	79%	0.791	73%	0.734	S	S	*	*			trans	-136	148.7	173.9	49.3	0	0	0	0	110.3
241	E	69.4	Low	69.4	Low	201 Å²	201	150.3 Å²	150.3	94%	0.939	76%	0.756	S	S	*	*			trans	-72.3	153	179.6	-69.3	-173	122.5	0	0	112.6
242	T	63.3	Low	69.8	Low	128 Å²	128	149.9 Å²	149.9	79%	0.785	76%	0.759	S	S	*	*			trans	-111	157.8	179	46.1	0	0	0	0	112.2	T244	T242-T244 PolarHBondContact O-N 3.05Å
243	E	67.3	Low	70	Confident	182 Å²	182	149 Å²	149	85%	0.85	77%	0.765	S	S	*	*			trans	-65.4	125.3	-171.2	-63.3	-169.9	145.5	0	0	113.5	L245	E243-L245 PolarHBondContact O-N 3.34Å
244	T	74.6	Confident	70.5	Confident	134 Å²	134	151 Å²	151	82%	0.822	78%	0.778	S	S	*	*			trans	-87.2	99.2	178.1	-57.7	0	0	0	0	111.2	T242	T242-T244 PolarHBondContact O-N 3.05Å
245	L	74	Confident	70.6	Confident	119 Å²	119	146.1 Å²	146.1	62%	0.623	75%	0.754	S	S	*	*			trans	-76.1	123.8	175.7	-63.6	174.4	0	0	0	111.7	E243 F247	E243-L245 PolarHBondContact O-N 3.34Å; L245-F247 HydrophobicContact CB-CD2 4.33Å; L245-F247 HydrophobicContact CB-CE1 4.48Å; L245-F247 HydrophobicContact CB-CE2 3.58Å; L245-F247 HydrophobicContact CB-CZ 3.68Å; L245-F247 HydrophobicContact CD1-CE2 4.39Å; L245-F247 HydrophobicContact CD1-CZ 3.76Å; L245-F247 HydrophobicContact CG-CZ 4.38Å
246	R	67	Low	71.2	Confident	209 Å²	209	142.9 Å²	142.9	79%	0.789	74%	0.744	S	S	*	*			trans	-91.1	113.1	171.4	-59.4	-173.7	-163.1	170.4	5.4	110.1
247	F	65.1	Low	71.7	Confident	182 Å²	182	140.9 Å²	140.9	80%	0.798	74%	0.744	S	S	*	*			trans	-91.9	-10	-179	-67.2	-78.2	0	0	0	114.7	L245	L245-F247 HydrophobicContact CB-CD2 4.33Å; L245-F247 HydrophobicContact CB-CE1 4.48Å; L245-F247 HydrophobicContact CB-CE2 3.58Å; L245-F247 HydrophobicContact CB-CZ 3.68Å; L245-F247 HydrophobicContact CD1-CE2 4.39Å; L245-F247 HydrophobicContact CD1-CZ 3.76Å; L245-F247 HydrophobicContact CG-CZ 4.38Å
248	F	70.4	Confident	72.3	Confident	169 Å²	169	143.3 Å²	143.3	74%	0.741	75%	0.753	S	S	*	*			trans	-151.3	135.9	176	-169.6	-113.8	0	0	0	109.9	L250	F248-L250 HydrophobicContact CE1-CB 3.75Å; F248-L250 HydrophobicContact CE1-CD2 4.33Å; F248-L250 HydrophobicContact CE1-CG 4.49Å; F248-L250 HydrophobicContact CZ-CB 3.96Å; F248-L250 HydrophobicContact CZ-CD1 4.15Å; F248-L250 HydrophobicContact CZ-CD2 4.28Å; F248-L250 HydrophobicContact CZ-CG 4.36Å
249	D	76.7	Confident	73.1	Confident	118 Å²	118	138.6 Å²	138.6	63%	0.631	73%	0.732	S	S	*	*			trans	-140.4	132.5	172.1	-163.6	-19.1	0	0	0	107.2
250	L	78.8	Confident	73.5	Confident	125 Å²	125	139.5 Å²	139.5	65%	0.654	73%	0.732	S	S	*	*			trans	-141	96.7	-175.1	-169.8	77.6	0	0	0	109.1	F248 T252	F248-L250 HydrophobicContact CE1-CB 3.75Å; F248-L250 HydrophobicContact CE1-CD2 4.33Å; F248-L250 HydrophobicContact CE1-CG 4.49Å; F248-L250 HydrophobicContact CZ-CB 3.96Å; F248-L250 HydrophobicContact CZ-CD1 4.15Å; F248-L250 HydrophobicContact CZ-CD2 4.28Å; F248-L250 HydrophobicContact CZ-CG 4.36Å; L250-T252 PolarHBondContact O-N 3.27Å
251	P	76.8	Confident	74.2	Confident	105 Å²	105	139 Å²	139	68%	0.682	72%	0.721	S	S	*	*			trans	-65	131.4	-177.5	25.7	-33.8	0	0	0	111	V253	P251-V253 PolarHBondContact O-N 2.73Å
252	T	75.7	Confident	74.8	Confident	126 Å²	126	129.9 Å²	129.9	77%	0.773	68%	0.68	S	S	*	*			trans	-70.7	117.4	-175.2	47.8	0	0	0	0	112.1	L250 M254	L250-T252 PolarHBondContact O-N 3.27Å; T252-M254 VanDerWaalsContact C-N 3.26Å; T252-M254 PolarHBondContact O-N 3.27Å
253	V	75.3	Confident	75.7	Confident	147 Å²	147	131.5 Å²	131.5	89%	0.891	68%	0.679	S	S	*	*	S	Bend	trans	-79.4	-7.3	177.7	-170.5	0	0	0	0	112.6	P251	P251-V253 PolarHBondContact O-N 2.73Å
254	M	77.9	Confident	76.5	Confident	169 Å²	169	129 Å²	129	83%	0.833	67%	0.665	S	S	*	*			trans	-113.3	136.4	176.6	-57.9	-159	-56.8	0	0	111.2	T252	T252-M254 VanDerWaalsContact C-N 3.26Å; T252-M254 PolarHBondContact O-N 3.27Å
255	V	77.3	Confident	76.9	Confident	67 Å²	67	125.2 Å²	125.2	41%	0.406	64%	0.642	S	S	.	*			trans	-109.6	135.2	175.3	177.2	0	0	0	0	108.1	A262	V255-A262 HydrophobicContact CG1-CB 4.46Å
256	S	76.9	Confident	77.3	Confident	77 Å²	77	122.7 Å²	122.7	54%	0.538	63%	0.631	S	S	.	*			trans	-63.9	142.4	176.7	-176	0	0	0	0	111	E258 S259 A262	S256-E258 PolarHBondContact O-N 3.14Å; S256-E258 VanDerWaalsContact O-N 3.15Å; S256-S259 VanDerWaalsContact O-CB 3.26Å; S256-S259 WeakPolarHBondContact O-CB 3.27Å; S256-S259 PolarHBondContact O-N 2.99Å; S256-A262 WeakPolarHBondContact O-CB 3.43Å
257	V	77.2	Confident	78.1	Confident	138 Å²	138	118.8 Å²	118.8	84%	0.836	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.4	-24.9	179	-175.8	0	0	0	0	112	S259	V257-S259 VanDerWaalsContact C-N 3.32Å
258	E	79.3	Confident	79.1	Confident	186 Å²	186	119.4 Å²	119.4	87%	0.869	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	1.6	179.9	-60.7	173.5	163.7	0	0	113.6	S256	S256-E258 PolarHBondContact O-N 3.14Å; S256-E258 VanDerWaalsContact O-N 3.15Å
259	S	79.7	Confident	79.9	Confident	45 Å²	45	115.6 Å²	115.6	32%	0.315	61%	0.607	S	S	.	*	S	Bend	trans	-81.8	142.5	178.7	179.7	0	0	0	0	112.7	S256 V257 E261 A262	S256-S259 VanDerWaalsContact O-CB 3.26Å; S256-S259 WeakPolarHBondContact O-CB 3.27Å; S256-S259 PolarHBondContact O-N 2.99Å; V257-S259 VanDerWaalsContact C-N 3.32Å; S259-E261 PolarHBondContact O-N 3.35Å; S259-E261 PolarHBondContact OG-N 3.45Å; S259-A262 WeakPolarHBondContact O-CB 3.12Å; S259-A262 PolarHBondContact O-N 3.42Å
260	E	78.4	Confident	80.4	Confident	173 Å²	173	115.9 Å²	115.9	81%	0.808	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	-12.5	170.8	-60.1	-174	179.4	0	0	114.4	K264	E260-K264 PolarHBondContact O-NZ 2.73Å
261	E	77.4	Confident	80.7	Confident	118 Å²	118	114.9 Å²	114.9	55%	0.551	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	-16.9	171.8	-57.6	-156.1	137	0	0	112.9	S259 E263 K264 V265	S259-E261 PolarHBondContact O-N 3.35Å; S259-E261 PolarHBondContact OG-N 3.45Å; E261-E263 VanDerWaalsContact C-N 3.35Å; E261-E263 PolarHBondContact O-N 3.26Å; E261-K264 PolarHBondContact O-N 2.99Å; E261-K264 VanDerWaalsContact O-N 3.11Å; E261-V265 WeakPolarHBondContact O-CG2 3.38Å; E261-V265 PolarHBondContact O-N 2.97Å
262	A	82.2	Confident	80.9	Confident	11 Å²	11	117.2 Å²	117.2	9%	0.091	59%	0.594	C	S	.	*	H	α-helix	trans	-62.4	-38.2	-175.6	0	0	0	0	0	112.7	V255 S256 S259 T266	V255-A262 HydrophobicContact CG1-CB 4.46Å; S256-A262 WeakPolarHBondContact O-CB 3.43Å; S259-A262 WeakPolarHBondContact O-CB 3.12Å; S259-A262 PolarHBondContact O-N 3.42Å; A262-T266 WeakPolarHBondContact O-CB 3.47Å; A262-T266 PolarHBondContact O-N 3.13Å; A262-T266 PolarHBondContact O-OG1 2.97Å
263	E	81.5	Confident	81.3	Confident	161 Å²	161	115.8 Å²	115.8	75%	0.752	58%	0.578	S	S	*	*	H	α-helix	trans	-64.5	-43.9	173.9	-67.9	-157	141.1	0	0	111.9	E261 T266 Q267	E261-E263 VanDerWaalsContact C-N 3.35Å; E261-E263 PolarHBondContact O-N 3.26Å; E263-T266 PolarHBondContact O-N 3.17Å; E263-Q267 WeakPolarHBondContact O-CB 3.46Å; E263-Q267 PolarHBondContact O-N 2.82Å
264	K	83.8	Confident	81.6	Confident	130 Å²	130	112.1 Å²	112.1	57%	0.565	56%	0.556	S	S	*	*	H	α-helix	trans	-64.9	-43.3	179.6	-61.1	166.9	-170.3	141.7	0	111	E260 E261 Q267 R268	E260-K264 PolarHBondContact O-NZ 2.73Å; E261-K264 PolarHBondContact O-N 2.99Å; E261-K264 VanDerWaalsContact O-N 3.11Å; K264-Q267 PolarHBondContact O-N 2.91Å; K264-R268 VanDerWaalsContact O-CB 3.3Å; K264-R268 WeakPolarHBondContact O-CB 3.5Å; K264-R268 PolarHBondContact O-N 2.87Å
265	V	83.1	Confident	81.5	Confident	55 Å²	55	108 Å²	108	33%	0.333	54%	0.537	S	S	.	.	H	α-helix	trans	-64.9	-44.5	173.8	173	0	0	0	0	110.5	E261 Q267 R268 N269	E261-V265 WeakPolarHBondContact O-CG2 3.38Å; E261-V265 PolarHBondContact O-N 2.97Å; V265-Q267 PolarHBondContact O-N 2.95Å; V265-R268 PolarHBondContact O-N 3.02Å; V265-N269 WeakPolarHBondContact O-CB 3.3Å; V265-N269 PolarHBondContact O-N 2.95Å; V265-N269 PolarHBondContact O-OD1 2.88Å
266	T	82.6	Confident	81.4	Confident	65 Å²	65	107.3 Å²	107.3	40%	0.399	54%	0.535	S	S	.	.	H	α-helix	trans	-62.4	-40.7	177	-63.1	0	0	0	0	111.8	A262 E263 N269 K270	A262-T266 WeakPolarHBondContact O-CB 3.47Å; A262-T266 PolarHBondContact O-N 3.13Å; A262-T266 PolarHBondContact O-OG1 2.97Å; E263-T266 PolarHBondContact O-N 3.17Å; T266-N269 PolarHBondContact O-N 3.21Å; T266-K270 HydrophobicContact CG2-CD 4.15Å; T266-K270 WeakPolarHBondContact O-CB 3.11Å; T266-K270 VanDerWaalsContact O-CG 3.28Å; T266-K270 WeakPolarHBondContact O-CG 3.39Å; T266-K270 PolarHBondContact O-N 3.4Å
267	Q	85.3	Confident	81.4	Confident	127 Å²	127	111 Å²	111	59%	0.593	54%	0.537	S	S	*	.	H	α-helix	trans	-70.8	-37.8	176.9	-164.9	173.7	21.8	0	0	111.6	E263 K264 V265 K270 N271	E263-Q267 WeakPolarHBondContact O-CB 3.46Å; E263-Q267 PolarHBondContact O-N 2.82Å; K264-Q267 PolarHBondContact O-N 2.91Å; V265-Q267 PolarHBondContact O-N 2.95Å; Q267-K270 PolarHBondContact O-N 3.09Å; Q267-N271 WeakPolarHBondContact O-CB 3.37Å; Q267-N271 PolarHBondContact O-N 3.15Å; Q267-N271 PolarHBondContact O-OD1 3.01Å
268	R	85.6	Confident	81.1	Confident	195 Å²	195	108.9 Å²	108.9	74%	0.736	52%	0.521	S	S	*	.	H	α-helix	trans	-62.4	-41.3	171.1	-172.7	174	-175.4	152.5	0.6	111.9	K264 V265 N271 Y272	K264-R268 VanDerWaalsContact O-CB 3.3Å; K264-R268 WeakPolarHBondContact O-CB 3.5Å; K264-R268 PolarHBondContact O-N 2.87Å; V265-R268 PolarHBondContact O-N 3.02Å; R268-N271 PolarHBondContact O-N 2.77Å; R268-Y272 WeakPolarHBondContact O-CB 3.49Å; R268-Y272 PolarHBondContact O-N 3.23Å
269	N	86.9	Confident	80.5	Confident	90 Å²	90	106.6 Å²	106.6	48%	0.481	50%	0.504	S	S	.	.	H	α-helix	trans	-68.2	-42.1	176.8	-68.9	-5.1	0	0	0	111.4	V265 T266 N271 Y272 E273	V265-N269 WeakPolarHBondContact O-CB 3.3Å; V265-N269 PolarHBondContact O-N 2.95Å; V265-N269 PolarHBondContact O-OD1 2.88Å; T266-N269 PolarHBondContact O-N 3.21Å; N269-N271 PolarHBondContact O-N 3.19Å; N269-Y272 CarbonylContact O-C 3.58Å; N269-Y272 PolarHBondContact O-N 3Å; N269-E273 PolarHBondContact O-N 3.16Å
270	K	86.6	Confident	79.7	Confident	124 Å²	124	112.1 Å²	112.1	54%	0.539	53%	0.529	S	S	.	.	H	α-helix	trans	-60	-43.6	171.5	-75.5	168	179.4	172.9	0	112	T266 Q267 Y272 E273 V274	T266-K270 HydrophobicContact CG2-CD 4.15Å; T266-K270 WeakPolarHBondContact O-CB 3.11Å; T266-K270 VanDerWaalsContact O-CG 3.28Å; T266-K270 WeakPolarHBondContact O-CG 3.39Å; T266-K270 PolarHBondContact O-N 3.4Å; Q267-K270 PolarHBondContact O-N 3.09Å; K270-Y272 VanDerWaalsContact C-N 3.31Å; K270-Y272 PolarHBondContact O-N 3.02Å; K270-E273 PolarHBondContact O-N 2.89Å; K270-V274 WeakPolarHBondContact O-CG2 3.33Å; K270-V274 PolarHBondContact O-N 3.47Å
271	N	84.4	Confident	79.1	Confident	104 Å²	104	107.8 Å²	107.8	56%	0.556	53%	0.531	S	S	*	.	H	α-helix	trans	-64	-36.9	175.2	-69.8	-8.4	0	0	0	111.7	Q267 R268 N269 V274 L275	Q267-N271 WeakPolarHBondContact O-CB 3.37Å; Q267-N271 PolarHBondContact O-N 3.15Å; Q267-N271 PolarHBondContact O-OD1 3.01Å; R268-N271 PolarHBondContact O-N 2.77Å; N269-N271 PolarHBondContact O-N 3.19Å; N271-V274 PolarHBondContact O-N 3.27Å; N271-L275 WeakPolarHBondContact O-CB 3.14Å; N271-L275 PolarHBondContact O-N 3.41Å
272	Y	82.8	Confident	78.7	Confident	154 Å²	154	105.2 Å²	105.2	60%	0.604	52%	0.521	S	S	*	.	H	α-helix	trans	-69.9	-39.8	174.9	-174.9	-104.6	0	0	0	112.6	R268 N269 K270 L275 C276	R268-Y272 WeakPolarHBondContact O-CB 3.49Å; R268-Y272 PolarHBondContact O-N 3.23Å; N269-Y272 CarbonylContact O-C 3.58Å; N269-Y272 PolarHBondContact O-N 3Å; K270-Y272 VanDerWaalsContact C-N 3.31Å; K270-Y272 PolarHBondContact O-N 3.02Å; Y272-L275 PolarHBondContact O-N 3.03Å; Y272-C276 VanDerWaalsContact CE1-SG 3.53Å; Y272-C276 VanDerWaalsContact CZ-SG 3.57Å; Y272-C276 WeakPolarHBondContact O-CB 3.49Å; Y272-C276 PolarHBondContact O-N 3.21Å; Y272-C276 PolarHBondContact O-SG 3.31Å
273	E	82.7	Confident	77.9	Confident	95 Å²	95	112.1 Å²	112.1	44%	0.444	56%	0.557	S	S	.	*	H	α-helix	trans	-59.9	-44.6	171	-75.8	-170.4	177.9	0	0	111.7	N269 K270 L275 C276 R277	N269-E273 PolarHBondContact O-N 3.16Å; K270-E273 PolarHBondContact O-N 2.89Å; E273-L275 VanDerWaalsContact C-N 3.34Å; E273-C276 PolarHBondContact O-N 3.39Å; E273-R277 WeakPolarHBondContact O-CB 3.48Å; E273-R277 WeakPolarHBondContact O-CG 3.49Å; E273-R277 PolarHBondContact O-N 2.82Å; E273-R277 IonicContact OE2-CZ 3.86Å; E273-R277 VanDerWaalsContact OE2-CZ 3.23Å; E273-R277 IonicContact OE2-NH1 2.67Å; E273-R277 PolarHBondContact OE2-NH1 3.19Å; E273-R277 IonicContact OE2-NH2 2.95Å; E273-R277 PolarHBondContact OE2-NH2 3.44Å
274	V	81.3	Confident	77.2	Confident	71 Å²	71	112 Å²	112	43%	0.43	56%	0.56	S	S	.	*	H	α-helix	trans	-62.1	-43.4	176.2	169.7	0	0	0	0	110.4	K270 N271 C276 R277 N278	K270-V274 WeakPolarHBondContact O-CG2 3.33Å; K270-V274 PolarHBondContact O-N 3.47Å; N271-V274 PolarHBondContact O-N 3.27Å; V274-C276 VanDerWaalsContact C-N 3.35Å; V274-C276 PolarHBondContact O-N 3.44Å; V274-R277 PolarHBondContact O-N 3.12Å; V274-N278 WeakPolarHBondContact O-CB 3.27Å; V274-N278 PolarHBondContact O-N 3.46Å; V274-N278 PolarHBondContact O-ND2 2.97Å; V274-N278 PolarHBondContact O-OD1 3.05Å
275	L	77	Confident	76.2	Confident	83 Å²	83	112 Å²	112	44%	0.435	56%	0.557	S	S	.	*	H	α-helix	trans	-62.4	-40.1	175.2	-168.7	154.6	0	0	0	111.9	N271 Y272 E273 N278 R279	N271-L275 WeakPolarHBondContact O-CB 3.14Å; N271-L275 PolarHBondContact O-N 3.41Å; Y272-L275 PolarHBondContact O-N 3.03Å; E273-L275 VanDerWaalsContact C-N 3.34Å; L275-N278 CarbonylContact O-C 3.46Å; L275-N278 PolarHBondContact O-N 3.3Å; L275-R279 PolarHBondContact O-N 3.27Å
276	C	75.6	Confident	75.5	Confident	52 Å²	52	114.2 Å²	114.2	35%	0.351	57%	0.571	S	S	.	*	H	α-helix	trans	-70.2	-41.2	177.6	-68	0	0	0	0	112.8	Y272 E273 V274 N278 R279	Y272-C276 VanDerWaalsContact CE1-SG 3.53Å; Y272-C276 VanDerWaalsContact CZ-SG 3.57Å; Y272-C276 WeakPolarHBondContact O-CB 3.49Å; Y272-C276 PolarHBondContact O-N 3.21Å; Y272-C276 PolarHBondContact O-SG 3.31Å; E273-C276 PolarHBondContact O-N 3.39Å; V274-C276 VanDerWaalsContact C-N 3.35Å; V274-C276 PolarHBondContact O-N 3.44Å; C276-N278 VanDerWaalsContact C-N 3.34Å; C276-R279 WeakPolarHBondContact O-CB 3.17Å; C276-R279 PolarHBondContact O-N 3.48Å
277	R	75.9	Confident	74.8	Confident	154 Å²	154	117.9 Å²	117.9	58%	0.581	58%	0.583	S	S	*	*	H	α-helix	trans	-61.7	-44	172.4	-71.5	175.2	-172.2	120.5	11	110.6	E273 V274 R279	E273-R277 WeakPolarHBondContact O-CB 3.48Å; E273-R277 WeakPolarHBondContact O-CG 3.49Å; E273-R277 PolarHBondContact O-N 2.82Å; E273-R277 IonicContact OE2-CZ 3.86Å; E273-R277 VanDerWaalsContact OE2-CZ 3.23Å; E273-R277 IonicContact OE2-NH1 2.67Å; E273-R277 PolarHBondContact OE2-NH1 3.19Å; E273-R277 IonicContact OE2-NH2 2.95Å; E273-R277 PolarHBondContact OE2-NH2 3.44Å; V274-R277 PolarHBondContact O-N 3.12Å; R277-R279 PolarHBondContact O-N 3.28Å
278	N	71.1	Confident	74.1	Confident	93 Å²	93	122.3 Å²	122.3	50%	0.497	60%	0.595	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.4	7.4	-179.4	-62.6	-2.5	0	0	0	114.4	V274 L275 C276 N282	V274-N278 WeakPolarHBondContact O-CB 3.27Å; V274-N278 PolarHBondContact O-N 3.46Å; V274-N278 PolarHBondContact O-ND2 2.97Å; V274-N278 PolarHBondContact O-OD1 3.05Å; L275-N278 CarbonylContact O-C 3.46Å; L275-N278 PolarHBondContact O-N 3.3Å; C276-N278 VanDerWaalsContact C-N 3.34Å; N278-N282 WeakPolarHBondContact O-CB 2.95Å; N278-N282 PolarHBondContact O-ND2 3.45Å; N278-N282 VanDerWaalsContact O-ND2 3.13Å
279	R	67.3	Low	73.4	Confident	139 Å²	139	121.9 Å²	121.9	53%	0.525	60%	0.603	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.1	-26.3	172.7	-175.8	175.4	172	-177.7	-2.6	112.5	L275 C276 R277 G281 Y285 E287	L275-R279 PolarHBondContact O-N 3.27Å; C276-R279 WeakPolarHBondContact O-CB 3.17Å; C276-R279 PolarHBondContact O-N 3.48Å; R277-R279 PolarHBondContact O-N 3.28Å; R279-G281 PolarHBondContact O-N 3.47Å; R279-Y285 HydrophobicContact CG-CD1 4.38Å; R279-E287 IonicContact CZ-OE1 2.71Å; R279-E287 IonicContact NE-OE1 3.23Å; R279-E287 IonicContact NH2-OE1 2.89Å; R279-E287 PolarHBondContact NH2-OE1 2.81Å
280	L	61.8	Low	72.6	Confident	161 Å²	161	125.8 Å²	125.8	84%	0.843	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	108.6	178.4	-73.6	168	0	0	0	110.3
281	G	65.8	Low	71.8	Confident	82 Å²	82	127.5 Å²	127.5	85%	0.845	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	86.1	30.9	175.3	0	0	0	0	0	115.6	R279	R279-G281 PolarHBondContact O-N 3.47Å
282	N	70.4	Confident	71	Confident	63 Å²	63	127.7 Å²	127.7	34%	0.337	64%	0.636	S	S	.	*			trans	-119.2	105.4	178.3	177.6	5.1	0	0	0	110.8	N278 L284 Y285	N278-N282 WeakPolarHBondContact O-CB 2.95Å; N278-N282 PolarHBondContact O-ND2 3.45Å; N278-N282 VanDerWaalsContact O-ND2 3.13Å; N282-L284 PolarHBondContact O-N 3.1Å; N282-L284 PolarHBondContact OD1-N 3.32Å; N282-Y285 PolarHBondContact O-N 3.31Å
283	D	64.5	Low	70.1	Confident	157 Å²	157	129.6 Å²	129.6	84%	0.84	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	-15.4	-173.3	-62.7	-22.5	0	0	0	114.6	Y285	D283-Y285 PolarHBondContact O-N 3.35Å
284	L	65.9	Low	69.4	Low	158 Å²	158	132 Å²	132	83%	0.827	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	-14.4	172.3	-65.9	172.3	0	0	0	112.9	N282	N282-L284 PolarHBondContact O-N 3.1Å; N282-L284 PolarHBondContact OD1-N 3.32Å
285	Y	62.7	Low	68.8	Low	130 Å²	130	131.8 Å²	131.8	51%	0.51	68%	0.675	S	S	.	*			trans	-103.2	74.3	-174.8	-132.8	-81.4	0	0	0	112.3	R279 N282 D283	R279-Y285 HydrophobicContact CG-CD1 4.38Å; N282-Y285 PolarHBondContact O-N 3.31Å; D283-Y285 PolarHBondContact O-N 3.35Å
286	V	68.6	Low	68.8	Low	101 Å²	101	132.1 Å²	132.1	61%	0.612	69%	0.69	S	S	*	*			trans	-81.3	121.1	178.7	-178.5	0	0	0	0	111.3	R288	V286-R288 HydrophobicContact CG1-CG 4.29Å; V286-R288 PolarHBondContact O-N 3.45Å
287	E	67.9	Low	68.5	Low	142 Å²	142	135.6 Å²	135.6	66%	0.664	71%	0.712	S	S	*	*			trans	-70.2	97.2	172.5	-62	-158.5	151.6	0	0	111.2	R279	R279-E287 IonicContact CZ-OE1 2.71Å; R279-E287 IonicContact NE-OE1 3.23Å; R279-E287 IonicContact NH2-OE1 2.89Å; R279-E287 PolarHBondContact NH2-OE1 2.81Å
288	R	72.3	Confident	68.5	Low	221 Å²	221	136.8 Å²	136.8	83%	0.834	72%	0.722	S	S	*	*			trans	-88.7	106.2	174.3	-69.7	-175.8	179	161.1	1.4	110.6	V286 M290	V286-R288 HydrophobicContact CG1-CG 4.29Å; V286-R288 PolarHBondContact O-N 3.45Å; R288-M290 PolarHBondContact O-N 3.34Å; R288-M290 VanDerWaalsContact O-N 3.13Å
289	M	70.1	Confident	68.7	Low	185 Å²	185	138.6 Å²	138.6	91%	0.911	73%	0.731	S	S	*	*			trans	-63	109.5	166.2	57.8	-170.7	72.7	0	0	110.2
290	M	69.4	Low	69.1	Low	172 Å²	172	140.2 Å²	140.2	85%	0.847	74%	0.742	S	S	*	*			trans	-105.6	91.6	174.7	-175	76.4	80.8	0	0	108.3	R288 T292	R288-M290 PolarHBondContact O-N 3.34Å; R288-M290 VanDerWaalsContact O-N 3.13Å; M290-T292 PolarHBondContact O-N 3.35Å
291	Q	69.9	Low	69.8	Low	161 Å²	161	139.8 Å²	139.8	75%	0.752	74%	0.741	S	S	*	*			trans	-85.5	110	174.6	-175.4	173.8	2.8	0	0	109.7	F293	Q291-F293 PolarHBondContact O-N 3.07Å
292	T	67.2	Low	70.2	Confident	108 Å²	108	140.8 Å²	140.8	66%	0.663	73%	0.73	S	S	*	*			trans	-62.4	126	164	-48.3	0	0	0	0	108.4	M290 N294	M290-T292 PolarHBondContact O-N 3.35Å; T292-N294 VanDerWaalsContact C-N 3.31Å; T292-N294 PolarHBondContact O-N 2.91Å
293	F	64.6	Low	70.3	Confident	193 Å²	193	143.4 Å²	143.4	85%	0.846	74%	0.741	S	S	*	*			trans	-70.6	89.5	172.5	-72.9	-74.3	0	0	0	109.8	Q291 G295	Q291-F293 PolarHBondContact O-N 3.07Å; F293-G295 VanDerWaalsContact C-N 3.32Å; F293-G295 PolarHBondContact O-N 2.98Å
294	N	67.5	Low	70.8	Confident	146 Å²	146	141 Å²	141	78%	0.781	73%	0.734	S	S	*	*			trans	-65.4	95.1	166.6	-70	1	0	0	0	108	T292	T292-N294 VanDerWaalsContact C-N 3.31Å; T292-N294 PolarHBondContact O-N 2.91Å
295	G	70.1	Confident	71.5	Confident	66 Å²	66	140.8 Å²	140.8	68%	0.68	73%	0.734	S	S	*	*			trans	-57.2	141.3	174.7	0	0	0	0	0	110.6	F293	F293-G295 VanDerWaalsContact C-N 3.32Å; F293-G295 PolarHBondContact O-N 2.98Å
296	A	76.7	Confident	72.3	Confident	91 Å²	91	143.6 Å²	143.6	75%	0.752	75%	0.749	S	S	*	*			trans	-56.3	130.7	179	0	0	0	0	0	110.1	K298	A296-K298 PolarHBondContact O-N 2.8Å
297	P	68.5	Low	72.9	Confident	125 Å²	125	145.3 Å²	145.3	81%	0.812	75%	0.753	S	S	*	*			trans	-62.5	113.5	-179.8	25.4	-33.2	0	0	0	109
298	K	75.3	Confident	73.6	Confident	178 Å²	178	145.3 Å²	145.3	77%	0.774	76%	0.757	S	S	*	*			trans	-103.8	94.3	-179.2	-174.1	169	-175.8	170.2	0	109.5	A296	A296-K298 PolarHBondContact O-N 2.8Å
299	N	75.3	Confident	74.1	Confident	132 Å²	132	142.1 Å²	142.1	71%	0.706	75%	0.753	S	S	*	*			trans	-57.7	143.4	168.1	-66.8	12.3	0	0	0	109.4
300	K	77.3	Confident	74.7	Confident	173 Å²	173	139.6 Å²	139.6	75%	0.752	74%	0.739	S	S	*	*			trans	-135.5	99.9	172.2	-80.3	-173	174.3	-173.2	0	106.2
301	D	75.6	Confident	75.4	Confident	151 Å²	151	139.3 Å²	139.3	81%	0.807	74%	0.741	S	S	*	*			trans	-77	134.2	174.8	-46.5	-53.7	0	0	0	107.7
302	V	75.1	Confident	76.1	Confident	103 Å²	103	138.9 Å²	138.9	62%	0.624	74%	0.737	S	S	*	*			trans	-121.7	86.3	-175.3	-177.2	0	0	0	0	108.2	C304	V302-C304 PolarHBondContact O-N 2.85Å
303	Q	71.6	Confident	77	Confident	119 Å²	119	137.7 Å²	137.7	56%	0.556	75%	0.746	S	S	*	*			trans	-76.9	111.8	170.2	-163.1	173.7	16.7	0	0	108.1	S194	S194-Q303 PolarHBondContact O-NE2 2.9Å; S194-Q303 VanDerWaalsContact O-NE2 3.14Å; S194-Q303 PolarHBondContact OG-NE2 3.24Å
304	C	75.9	Confident	77.9	Confident	105 Å²	105	135.4 Å²	135.4	71%	0.709	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-98.7	131.1	166	-67.2	0	0	0	0	107.9	V302 K306	V302-C304 PolarHBondContact O-N 2.85Å; C304-K306 PolarHBondContact O-N 2.79Å
305	D	79.3	Confident	78.8	Confident	155 Å²	155	136.3 Å²	136.3	83%	0.829	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-57.1	134.7	174.9	-64.2	-44.9	0	0	0	110.5	I307	D305-I307 PolarHBondContact O-N 3.03Å
306	K	80.3	Confident	79.7	Confident	188 Å²	188	137.7 Å²	137.7	82%	0.817	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-66.5	120.2	177.2	-179.3	-176.7	174.8	-172.5	0	108.5	C304 I308	C304-K306 PolarHBondContact O-N 2.79Å; K306-I308 PolarHBondContact O-N 3.44Å
307	I	81.1	Confident	80.4	Confident	137 Å²	137	136.3 Å²	136.3	70%	0.703	72%	0.724	S	S	*	*			trans	-58.8	115.1	169.8	-58.3	176.9	0	0	0	107.8	D305 M309	D305-I307 PolarHBondContact O-N 3.03Å; I307-M309 HydrophobicContact CG2-SD 3.87Å; I307-M309 PolarHBondContact O-N 3.38Å
308	I	82.4	Confident	81.6	Confident	143 Å²	143	134 Å²	134	73%	0.733	72%	0.716	S	S	*	*			trans	-75.8	108.9	175.8	-56.9	177.5	0	0	0	106.8	K306 E310	K306-I308 PolarHBondContact O-N 3.44Å; I308-E310 HydrophobicContact CG2-CG 4.37Å
309	M	83.9	Confident	82.5	Confident	154 Å²	154	134.6 Å²	134.6	76%	0.759	71%	0.713	S	S	*	*			trans	-90	121.8	173.2	-61.6	-62.1	-62	0	0	108.3	I307	I307-M309 HydrophobicContact CG2-SD 3.87Å; I307-M309 PolarHBondContact O-N 3.38Å
310	E	82.8	Confident	83.1	Confident	131 Å²	131	132 Å²	132	61%	0.612	70%	0.699	S	S	*	*			trans	-107.5	111.1	173.5	-64.1	-174.8	144.8	0	0	109.7	I308 K312	I308-E310 HydrophobicContact CG2-CG 4.37Å; E310-K312 HydrophobicContact CB-CG 4.46Å; E310-K312 PolarHBondContact O-N 3.26Å; E310-K312 WeakPolarHBondContact OE2-CE 3.37Å; E310-K312 IonicContact OE2-NZ 3.12Å; E310-K312 PolarHBondContact OE2-NZ 2.83Å
311	D	84.1	Confident	83.7	Confident	166 Å²	166	128.4 Å²	128.4	89%	0.888	69%	0.688	S	S	*	*			trans	-77.2	108	173	-70.7	-31.5	0	0	0	109.6
312	K	83.3	Confident	84.5	Confident	153 Å²	153	127.8 Å²	127.8	67%	0.665	68%	0.675	S	S	*	*			trans	-106.8	103.1	-178.5	-68.7	-176.5	-179.3	172	0	111.3	E310	E310-K312 HydrophobicContact CB-CG 4.46Å; E310-K312 PolarHBondContact O-N 3.26Å; E310-K312 WeakPolarHBondContact OE2-CE 3.37Å; E310-K312 IonicContact OE2-NZ 3.12Å; E310-K312 PolarHBondContact OE2-NZ 2.83Å
313	G	86.3	Confident	85.5	Confident	83 Å²	83	127.5 Å²	127.5	86%	0.856	67%	0.67	S	S	*	*			trans	-75.7	125.2	167	0	0	0	0	0	110.6
314	I	84.4	Confident	86.2	Confident	145 Å²	145	125 Å²	125	74%	0.744	67%	0.666	S	S	*	*			trans	-127.6	128.6	174.4	-62.7	175.9	0	0	0	107.7
315	M	84.9	Confident	86.9	Confident	164 Å²	164	127.3 Å²	127.3	81%	0.808	66%	0.661	S	S	*	*			trans	-94.8	128.8	165.7	-65.8	-61.6	-68.2	0	0	107.9
316	S	89.1	Confident	87.2	Confident	95 Å²	95	122.3 Å²	122.3	66%	0.664	63%	0.634	S	S	*	*			trans	-116.9	100.6	175.1	61.3	0	0	0	0	109.7
317	T	92.8	Very high	87.5	Confident	62 Å²	62	116.1 Å²	116.1	38%	0.38	62%	0.618	S	S	.	*			trans	-90	171.4	172.2	76.9	0	0	0	0	111	W319 D320 L321	T317-W319 PolarHBondContact O-N 2.83Å; T317-W319 PolarHBondContact OG1-N 2.87Å; T317-D320 WeakPolarHBondContact CA-OD2 3.22Å; T317-D320 WeakPolarHBondContact CB-OD2 3.47Å; T317-D320 WeakPolarHBondContact CG2-OD2 3.33Å; T317-D320 PolarHBondContact N-OD2 2.89Å; T317-D320 PolarHBondContact O-N 2.85Å; T317-D320 PolarHBondContact OG1-N 3.04Å; T317-D320 PolarHBondContact OG1-OD2 2.83Å; T317-L321 PolarHBondContact O-N 2.95Å
318	A	93.4	Very high	87.5	Confident	78 Å²	78	114.7 Å²	114.7	65%	0.645	61%	0.61	S	S	*	*	H	α-helix	trans	-63.3	-28.8	173.3	0	0	0	0	0	112.6	Y322	A318-Y322 WeakPolarHBondContact O-CB 3.42Å; A318-Y322 PolarHBondContact O-N 2.86Å
319	W	93.5	Very high	87.4	Confident	189 Å²	189	114 Å²	114	72%	0.716	60%	0.603	S	S	*	*	H	α-helix	trans	-71.7	-45.5	178	-55.8	111.6	0	0	0	111.5	T317 L321 Y322 D323	T317-W319 PolarHBondContact O-N 2.83Å; T317-W319 PolarHBondContact OG1-N 2.87Å; W319-L321 PolarHBondContact O-N 2.89Å; W319-Y322 PolarHBondContact O-N 2.91Å; W319-D323 PolarHBondContact O-N 2.88Å
320	D	89.3	Confident	87.1	Confident	77 Å²	77	112.4 Å²	112.4	41%	0.412	60%	0.597	S	S	.	*	H	α-helix	trans	-58.4	-39.3	177.6	-52.2	-66.4	0	0	0	111.5	T317 S324	T317-D320 WeakPolarHBondContact CA-OD2 3.22Å; T317-D320 WeakPolarHBondContact CB-OD2 3.47Å; T317-D320 WeakPolarHBondContact CG2-OD2 3.33Å; T317-D320 PolarHBondContact N-OD2 2.89Å; T317-D320 PolarHBondContact O-N 2.85Å; T317-D320 PolarHBondContact OG1-N 3.04Å; T317-D320 PolarHBondContact OG1-OD2 2.83Å; D320-S324 WeakPolarHBondContact O-CB 3.42Å; D320-S324 PolarHBondContact O-N 3.2Å; D320-S324 VanDerWaalsContact O-N 3.08Å; D320-S324 PolarHBondContact O-OG 3.24Å
321	L	89.6	Confident	86.8	Confident	99 Å²	99	109.2 Å²	109.2	52%	0.518	59%	0.589	S	S	.	*	H	α-helix	trans	-66.1	-49.8	173.2	-67.8	173	0	0	0	111.5	T317 W319 S324 Y325	T317-L321 PolarHBondContact O-N 2.95Å; W319-L321 PolarHBondContact O-N 2.89Å; L321-S324 PolarHBondContact O-N 2.94Å; L321-Y325 VanDerWaalsContact O-CD2 3.25Å; L321-Y325 WeakPolarHBondContact O-CD2 3.14Å; L321-Y325 PolarHBondContact O-N 2.86Å
322	Y	92.2	Very high	86.1	Confident	138 Å²	138	103.3 Å²	103.3	54%	0.541	56%	0.561	S	S	.	*	H	α-helix	trans	-58.8	-49	-179	-179.3	-111.7	0	0	0	112.1	A318 W319 Y325 N326	A318-Y322 WeakPolarHBondContact O-CB 3.42Å; A318-Y322 PolarHBondContact O-N 2.86Å; W319-Y322 PolarHBondContact O-N 2.91Å; Y322-Y325 PolarHBondContact O-N 3Å; Y322-N326 VanDerWaalsContact CD1-ND2 3.28Å; Y322-N326 WeakPolarHBondContact CD1-ND2 3.19Å; Y322-N326 WeakPolarHBondContact CE1-ND2 3.2Å; Y322-N326 VanDerWaalsContact CZ-ND2 3.31Å; Y322-N326 PolarHBondContact O-N 3.43Å; Y322-N326 PolarHBondContact O-ND2 3.42Å
323	D	94.6	Very high	85.3	Confident	96 Å²	96	100.6 Å²	100.6	51%	0.513	55%	0.553	S	S	.	*	H	α-helix	trans	-69.3	-34.7	-179.9	-69.5	-20.1	0	0	0	112	W319 N326 A327	W319-D323 PolarHBondContact O-N 2.88Å; D323-N326 PolarHBondContact O-N 3.2Å; D323-A327 VanDerWaalsContact O-CB 3.29Å; D323-A327 WeakPolarHBondContact O-CB 3.35Å; D323-A327 PolarHBondContact O-N 3.21Å
324	S	87.8	Confident	84	Confident	68 Å²	68	99.9 Å²	99.9	48%	0.476	54%	0.535	S	S	.	.	H	α-helix	trans	-62.2	-42.4	170.3	-63.8	0	0	0	0	112.1	D320 L321 A327 M328	D320-S324 WeakPolarHBondContact O-CB 3.42Å; D320-S324 PolarHBondContact O-N 3.2Å; D320-S324 VanDerWaalsContact O-N 3.08Å; D320-S324 PolarHBondContact O-OG 3.24Å; L321-S324 PolarHBondContact O-N 2.94Å; S324-A327 PolarHBondContact O-N 3.33Å; S324-M328 WeakPolarHBondContact O-CG 3.47Å; S324-M328 PolarHBondContact O-N 2.79Å
325	Y	90.1	Very high	82.7	Confident	153 Å²	153	97.6 Å²	97.6	60%	0.6	53%	0.528	S	S	*	.	H	α-helix	trans	-65.2	-44.7	174.9	-88	-71.6	0	0	0	111.8	L321 Y322 A327 M328 E329	L321-Y325 VanDerWaalsContact O-CD2 3.25Å; L321-Y325 WeakPolarHBondContact O-CD2 3.14Å; L321-Y325 PolarHBondContact O-N 2.86Å; Y322-Y325 PolarHBondContact O-N 3Å; Y325-A327 VanDerWaalsContact C-N 3.35Å; Y325-A327 PolarHBondContact O-N 2.99Å; Y325-M328 HydrophobicContact CD1-CE 3.64Å; Y325-M328 HydrophobicContact CE1-CE 3.89Å; Y325-M328 HydrophobicContact CG-CE 4.07Å; Y325-M328 PolarHBondContact O-N 2.88Å; Y325-E329 PolarHBondContact O-N 3.12Å
326	N	86.4	Confident	81.3	Confident	49 Å²	49	95.4 Å²	95.4	26%	0.262	51%	0.514	S	S	.	.	H	α-helix	trans	-61.1	-41.5	176.4	-66	-30.4	0	0	0	112	Y322 D323 E329 L330	Y322-N326 VanDerWaalsContact CD1-ND2 3.28Å; Y322-N326 WeakPolarHBondContact CD1-ND2 3.19Å; Y322-N326 WeakPolarHBondContact CE1-ND2 3.2Å; Y322-N326 VanDerWaalsContact CZ-ND2 3.31Å; Y322-N326 PolarHBondContact O-N 3.43Å; Y322-N326 PolarHBondContact O-ND2 3.42Å; D323-N326 PolarHBondContact O-N 3.2Å; N326-E329 PolarHBondContact O-N 2.97Å; N326-L330 WeakPolarHBondContact O-CB 3.2Å; N326-L330 VanDerWaalsContact O-CG 3.31Å; N326-L330 WeakPolarHBondContact O-CG 3.33Å; N326-L330 PolarHBondContact O-N 2.83Å
327	A	86.6	Confident	79.2	Confident	59 Å²	59	94.1 Å²	94.1	49%	0.488	51%	0.505	S	S	.	.	H	α-helix	trans	-65	-37.2	175.8	0	0	0	0	0	112.3	D323 S324 Y325 S331	D323-A327 VanDerWaalsContact O-CB 3.29Å; D323-A327 WeakPolarHBondContact O-CB 3.35Å; D323-A327 PolarHBondContact O-N 3.21Å; S324-A327 PolarHBondContact O-N 3.33Å; Y325-A327 VanDerWaalsContact C-N 3.35Å; Y325-A327 PolarHBondContact O-N 2.99Å; A327-S331 WeakPolarHBondContact O-CB 3.41Å; A327-S331 PolarHBondContact O-N 2.93Å; A327-S331 PolarHBondContact O-OG 3.04Å
328	M	81.1	Confident	77	Confident	107 Å²	107	95 Å²	95	53%	0.527	51%	0.514	S	S	.	.	H	α-helix	trans	-66.9	-39.8	171.5	-73.9	-172.1	-65.9	0	0	112.4	S324 Y325 S331 S332	S324-M328 WeakPolarHBondContact O-CG 3.47Å; S324-M328 PolarHBondContact O-N 2.79Å; Y325-M328 HydrophobicContact CD1-CE 3.64Å; Y325-M328 HydrophobicContact CE1-CE 3.89Å; Y325-M328 HydrophobicContact CG-CE 4.07Å; Y325-M328 PolarHBondContact O-N 2.88Å; M328-S331 WeakPolarHBondContact CA-OG 3.07Å; M328-S331 PolarHBondContact O-OG 2.92Å; M328-S332 WeakPolarHBondContact O-CB 3.17Å; M328-S332 PolarHBondContact O-N 3.2Å
329	E	80	Confident	75	Confident	128 Å²	128	96.4 Å²	96.4	60%	0.598	51%	0.514	S	S	*	.	H	α-helix	trans	-66.3	-48.1	176	-70.3	-149.8	148.6	0	0	111.9	Y325 N326 S331 S332 L333	Y325-E329 PolarHBondContact O-N 3.12Å; N326-E329 PolarHBondContact O-N 2.97Å; E329-S331 PolarHBondContact O-N 2.87Å; E329-S332 CarbonylContact O-C 3.58Å; E329-S332 WeakPolarHBondContact O-CA 3.28Å; E329-S332 WeakPolarHBondContact O-CB 3.27Å; E329-S332 PolarHBondContact O-N 2.83Å; E329-S332 VanDerWaalsContact O-N 3.1Å; E329-S332 PolarHBondContact O-OG 3.24Å; E329-L333 WeakPolarHBondContact O-CG 3.29Å; E329-L333 PolarHBondContact O-N 3.09Å
330	L	76.3	Confident	72.5	Confident	120 Å²	120	92.8 Å²	92.8	63%	0.628	51%	0.512	S	S	*	.	H	α-helix	trans	-61.1	-41.8	178.7	-72.1	170.3	0	0	0	112.4	N326 L333 S334	N326-L330 WeakPolarHBondContact O-CB 3.2Å; N326-L330 VanDerWaalsContact O-CG 3.31Å; N326-L330 WeakPolarHBondContact O-CG 3.33Å; N326-L330 PolarHBondContact O-N 2.83Å; L330-L333 PolarHBondContact O-N 3.05Å; L330-S334 PolarHBondContact O-N 3.2Å
331	S	76.4	Confident	69.9	Low	64 Å²	64	97.4 Å²	97.4	45%	0.448	53%	0.532	S	S	.	.	H	α-helix	trans	-69.4	-33.6	173.2	55.8	0	0	0	0	112.5	A327 M328 E329 L333 S334 V335	A327-S331 WeakPolarHBondContact O-CB 3.41Å; A327-S331 PolarHBondContact O-N 2.93Å; A327-S331 PolarHBondContact O-OG 3.04Å; M328-S331 WeakPolarHBondContact CA-OG 3.07Å; M328-S331 PolarHBondContact O-OG 2.92Å; E329-S331 PolarHBondContact O-N 2.87Å; S331-L333 PolarHBondContact O-N 3.28Å; S331-S334 PolarHBondContact O-OG 3.24Å; S331-S334 VanDerWaalsContact O-OG 3.11Å; S331-V335 VanDerWaalsContact O-CG2 3.31Å; S331-V335 WeakPolarHBondContact O-CG2 3.39Å; S331-V335 PolarHBondContact O-N 3.38Å; S331-V335 VanDerWaalsContact O-N 3.13Å
332	S	70.4	Confident	67.4	Low	43 Å²	43	97.6 Å²	97.6	30%	0.301	54%	0.541	S	S	.	.	H	α-helix	trans	-64.9	-28	170.1	92.4	0	0	0	0	112.6	M328 E329 K336	M328-S332 WeakPolarHBondContact O-CB 3.17Å; M328-S332 PolarHBondContact O-N 3.2Å; E329-S332 CarbonylContact O-C 3.58Å; E329-S332 WeakPolarHBondContact O-CA 3.28Å; E329-S332 WeakPolarHBondContact O-CB 3.27Å; E329-S332 PolarHBondContact O-N 2.83Å; E329-S332 VanDerWaalsContact O-N 3.1Å; E329-S332 PolarHBondContact O-OG 3.24Å; S332-K336 WeakPolarHBondContact O-CD 3.29Å; S332-K336 WeakPolarHBondContact O-CE 3.38Å; S332-K336 WeakPolarHBondContact O-CG 3.21Å; S332-K336 PolarHBondContact O-N 2.89Å; S332-K336 PolarHBondContact OG-NZ 2.96Å
333	L	65.6	Low	64.9	Low	95 Å²	95	95.6 Å²	95.6	50%	0.497	55%	0.547	S	S	.	.	H	α-helix	trans	-81	-39.2	179.5	-73.4	166.7	0	0	0	111.7	E329 L330 S331 V335 K336 S337	E329-L333 WeakPolarHBondContact O-CG 3.29Å; E329-L333 PolarHBondContact O-N 3.09Å; L330-L333 PolarHBondContact O-N 3.05Å; S331-L333 PolarHBondContact O-N 3.28Å; L333-V335 VanDerWaalsContact C-N 3.31Å; L333-V335 PolarHBondContact O-N 2.99Å; L333-K336 HydrophobicContact CD2-CD 4.34Å; L333-K336 WeakPolarHBondContact O-CA 3.32Å; L333-K336 WeakPolarHBondContact O-CB 3.41Å; L333-K336 PolarHBondContact O-N 2.92Å; L333-S337 PolarHBondContact O-N 3.02Å
334	S	59.6	Low	61.9	Low	68 Å²	68	96.6 Å²	96.6	48%	0.476	56%	0.562	S	S	.	*	H	α-helix	trans	-67.2	-31.9	173.3	64.2	0	0	0	0	112.8	L330 S331 K336 S337 S338	L330-S334 PolarHBondContact O-N 3.2Å; S331-S334 PolarHBondContact O-OG 3.24Å; S331-S334 VanDerWaalsContact O-OG 3.11Å; S334-K336 VanDerWaalsContact C-N 3.3Å; S334-S337 WeakPolarHBondContact CA-OG 3.27Å; S334-S337 PolarHBondContact O-OG 2.85Å; S334-S337 VanDerWaalsContact O-OG 3.09Å; S334-S338 PolarHBondContact O-N 3.5Å; S334-S338 PolarHBondContact O-OG 2.96Å
335	V	58.2	Low	59.2	Low	97 Å²	97	101.8 Å²	101.8	59%	0.588	58%	0.579	S	S	*	*	H	α-helix	trans	-68.7	-25.9	168.9	172.1	0	0	0	0	112.4	S331 L333 S338 V339	S331-V335 VanDerWaalsContact O-CG2 3.31Å; S331-V335 WeakPolarHBondContact O-CG2 3.39Å; S331-V335 PolarHBondContact O-N 3.38Å; S331-V335 VanDerWaalsContact O-N 3.13Å; L333-V335 VanDerWaalsContact C-N 3.31Å; L333-V335 PolarHBondContact O-N 2.99Å; V335-S338 PolarHBondContact O-OG 3.15Å; V335-V339 WeakPolarHBondContact O-CG2 3.41Å
336	K	54.1	Low	56.4	Low	119 Å²	119	100 Å²	100	52%	0.517	58%	0.584	S	S	.	*	H	α-helix	trans	-81.9	-37.9	174.7	-72.3	158.2	-166.1	153.3	0	112.2	S332 L333 S334 V339	S332-K336 WeakPolarHBondContact O-CD 3.29Å; S332-K336 WeakPolarHBondContact O-CE 3.38Å; S332-K336 WeakPolarHBondContact O-CG 3.21Å; S332-K336 PolarHBondContact O-N 2.89Å; S332-K336 PolarHBondContact OG-NZ 2.96Å; L333-K336 HydrophobicContact CD2-CD 4.34Å; L333-K336 WeakPolarHBondContact O-CA 3.32Å; L333-K336 WeakPolarHBondContact O-CB 3.41Å; L333-K336 PolarHBondContact O-N 2.92Å; S334-K336 VanDerWaalsContact C-N 3.3Å; K336-V339 PolarHBondContact O-N 2.98Å
337	S	46.1	Very low	53.6	Low	67 Å²	67	104.5 Å²	104.5	47%	0.469	61%	0.608	S	S	.	*	H	α-helix	trans	-67	-38.3	178.9	59.2	0	0	0	0	112.5	L333 S334 V339 V340	L333-S337 PolarHBondContact O-N 3.02Å; S334-S337 WeakPolarHBondContact CA-OG 3.27Å; S334-S337 PolarHBondContact O-OG 2.85Å; S334-S337 VanDerWaalsContact O-OG 3.09Å; S337-V339 PolarHBondContact O-N 2.84Å; S337-V339 VanDerWaalsContact O-N 3.11Å; S337-V340 PolarHBondContact O-N 2.86Å
338	S	46.1	Very low	51	Low	82 Å²	82	107.8 Å²	107.8	57%	0.573	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-14.2	177.5	62.8	0	0	0	0	114.6	S334 V335	S334-S338 PolarHBondContact O-N 3.5Å; S334-S338 PolarHBondContact O-OG 2.96Å; V335-S338 PolarHBondContact O-OG 3.15Å
339	V	50.3	Low	48.5	Very low	107 Å²	107	110.2 Å²	110.2	65%	0.648	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	-12.5	175.7	176.5	0	0	0	0	112.5	V335 K336 S337	V335-V339 WeakPolarHBondContact O-CG2 3.41Å; K336-V339 PolarHBondContact O-N 2.98Å; S337-V339 PolarHBondContact O-N 2.84Å; S337-V339 VanDerWaalsContact O-N 3.11Å
340	V	43	Very low	46.3	Very low	112 Å²	112	109.7 Å²	109.7	68%	0.679	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.4	-28.3	-173.4	176.8	0	0	0	0	113.2	S337 S342	S337-V340 PolarHBondContact O-N 2.86Å; V340-S342 VanDerWaalsContact C-N 3.29Å; V340-S342 PolarHBondContact O-N 3.36Å
341	E	34.4	Very low	44	Very low	175 Å²	175	113 Å²	113	82%	0.818	65%	0.653	S	S	*	*	S	Bend	trans	-79.9	-3.5	-178.4	-66.2	-169.1	133.2	0	0	114.5	S343	E341-S343 VanDerWaalsContact C-N 3.29Å; E341-S343 PolarHBondContact O-N 2.84Å
342	S	37.3	Very low	41.8	Very low	103 Å²	103	117 Å²	117	72%	0.72	67%	0.669	S	S	*	*	S	Bend	trans	-84.8	25	-175	72.9	0	0	0	0	115.7	V340	V340-S342 VanDerWaalsContact C-N 3.29Å; V340-S342 PolarHBondContact O-N 3.36Å
343	S	39.4	Very low	39.8	Very low	96 Å²	96	123.3 Å²	123.3	67%	0.671	69%	0.694	S	S	*	*	S	Bend	trans	-157.6	69.7	175.6	64.4	0	0	0	0	116.7	E341	E341-S343 VanDerWaalsContact C-N 3.29Å; E341-S343 PolarHBondContact O-N 2.84Å
344	S	30.3	Very low	38	Very low	116 Å²	116	124.5 Å²	124.5	81%	0.811	70%	0.701	S	S	*	*			trans	-167.3	126	138.9	12.1	0	0	0	0	115
345	E	31.3	Very low	36.7	Very low	178 Å²	178	130.9 Å²	130.9	83%	0.832	72%	0.723	S	S	*	*			trans	37.2	97.9	145.3	-55.8	-165.5	150.2	0	0	122
346	T	31.5	Very low	35.1	Very low	115 Å²	115	136.3 Å²	136.3	71%	0.706	73%	0.733	S	S	*	*				38.5	121.9	127.7	58.3	0	0	0	0	121
347	N	28.1	Very low	34	Very low	144 Å²	144	138.5 Å²	138.5	77%	0.77	75%	0.75	S	S	*	*				-179.4	150.7	97	-100.2	-64.5	0	0	0	116.3
348	V	30.9	Very low	33.7	Very low	128 Å²	128	141.1 Å²	141.1	78%	0.776	77%	0.765	S	S	*	*			trans	60.8	117.7	156	178.5	0	0	0	0	120.2
349	L	29.6	Very low	32.8	Very low	157 Å²	157	140.8 Å²	140.8	82%	0.822	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-88.7	155.2	156.6	-88.6	89.7	0	0	0	111.9
350	P	32.7	Very low	31.8	Very low	118 Å²	118	141.4 Å²	141.4	77%	0.766	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-97.5	163.8	131.4	34.3	-30.7	0	0	0	111.7
351	K	29.8	Very low	31.3	Very low	188 Å²	188	142 Å²	142	82%	0.817	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-95.1	153.7	-172.2	-57.6	168.2	-177.4	171.5	0	112.1
352	D	28.2	Very low	31.1	Very low	149 Å²	149	139.8 Å²	139.8	80%	0.797	79%	0.786	S	S	*	*				-178.8	156.5	115.1	-86.3	-17.6	0	0	0	109.3
353	Q	29.4	Very low	30.8	Very low	175 Å²	175	141.8 Å²	141.8	82%	0.818	78%	0.784	S	S	*	*			cis	-158.8	136.1	-35.4	-176.6	174.3	23.3	0	0	106.4
354	D	28	Very low	30.7	Very low	121 Å²	121	144.8 Å²	144.8	65%	0.647	79%	0.785	S	S	*	*			trans	-59.1	143.2	-173.5	-66.6	-111.3	0	0	0	114.8	R356	D354-R356 IonicContact OD1-NE 2.86Å; D354-R356 PolarHBondContact OD1-NE 2.88Å
355	Q	31.5	Very low	30.8	Very low	202 Å²	202	146.7 Å²	146.7	94%	0.944	79%	0.786	S	S	*	*			trans	-127	126.8	130.9	-69.1	-162.4	15.8	0	0	110.4
356	R	25.3	Very low	30.8	Very low	210 Å²	210	142.8 Å²	142.8	79%	0.792	78%	0.779	S	S	*	*			trans	-109.4	160	174.8	-64	176	176	-165.5	-6.6	109.7	D354	D354-R356 IonicContact OD1-NE 2.86Å; D354-R356 PolarHBondContact OD1-NE 2.88Å
357	L	31.4	Very low	31.2	Very low	166 Å²	166	147.1 Å²	147.1	87%	0.869	79%	0.791	S	S	*	*				-178.5	163.9	119.1	-90.4	166.5	0	0	0	109.1
358	P	39.5	Very low	31.7	Very low	121 Å²	121	145.1 Å²	145.1	79%	0.786	78%	0.784	S	S	*	*			trans	-136.4	173.2	-133.9	43.3	-26.8	0	0	0	117.4
359	G	27.5	Very low	32.3	Very low	75 Å²	75	142.7 Å²	142.7	77%	0.773	77%	0.773	S	S	*	*			trans	137.7	144.3	165.2	0	0	0	0	0	112
360	S	29.3	Very low	33.5	Very low	121 Å²	121	139 Å²	139	85%	0.846	76%	0.76	S	S	*	*			cis	-153.8	167.2	-7.9	54.4	0	0	0	0	110.8
361	T	30.9	Very low	34.2	Very low	124 Å²	124	139.4 Å²	139.4	76%	0.761	76%	0.755	S	S	*	*			trans	-68.1	140.1	-178.5	50.8	0	0	0	0	114.4
362	T	30.6	Very low	35.3	Very low	128 Å²	128	136.5 Å²	136.5	79%	0.785	75%	0.746	S	S	*	*				177.6	135.6	100	37.6	0	0	0	0	114.3
363	E	31.5	Very low	36.4	Very low	146 Å²	146	133.7 Å²	133.7	68%	0.682	73%	0.731	S	S	*	*			trans	48.4	113.7	146.7	-54.7	-136.8	111.5	0	0	124
364	K	37.5	Very low	37.6	Very low	158 Å²	158	129.8 Å²	129.8	69%	0.687	72%	0.715	S	S	*	*				69.9	120.5	125.7	-67.4	169.4	-179.1	153.4	0	122.2
365	N	31.3	Very low	38.8	Very low	157 Å²	157	129.4 Å²	129.4	84%	0.84	71%	0.709	S	S	*	*			trans	72.1	93.2	140.1	-59	19.2	0	0	0	120.5
366	S	32.1	Very low	39.8	Very low	96 Å²	96	124.7 Å²	124.7	67%	0.671	69%	0.691	S	S	*	*			trans	-155.4	124.7	132.4	60.5	0	0	0	0	112.1	T368	S366-T368 PolarHBondContact O-N 2.89Å
367	E	39.4	Very low	41.3	Very low	205 Å²	205	119.2 Å²	119.2	96%	0.958	68%	0.68	S	S	*	*			trans	-84.6	81.9	179.4	-65.5	174.1	150.5	0	0	110.5
368	T	39.1	Very low	42.4	Very low	103 Å²	103	115.6 Å²	115.6	63%	0.632	66%	0.661	S	S	*	*			trans	-140.3	5	-172.7	54.7	0	0	0	0	116.3	S366	S366-T368 PolarHBondContact O-N 2.89Å
369	S	43.9	Very low	42.9	Very low	77 Å²	77	114.1 Å²	114.1	54%	0.538	65%	0.646	S	S	.	*			trans	-82.8	-23	-173	76	0	0	0	0	115.4	L371 M372 D373	S369-L371 VanDerWaalsContact C-N 3.31Å; S369-L371 PolarHBondContact O-N 2.84Å; S369-L371 VanDerWaalsContact O-N 3.13Å; S369-M372 PolarHBondContact O-N 2.84Å; S369-M372 VanDerWaalsContact O-N 3.16Å; S369-D373 WeakPolarHBondContact CB-OD2 3.41Å; S369-D373 PolarHBondContact O-N 3.05Å; S369-D373 VanDerWaalsContact O-N 3.09Å; S369-D373 PolarHBondContact OG-OD2 2.95Å
370	S	53.8	Low	44.1	Very low	80 Å²	80	112.9 Å²	112.9	56%	0.559	63%	0.628	S	S	*	*	H	α-helix	trans	-59.4	-33.5	-165	54.9	0	0	0	0	115.3	I374	S370-I374 VanDerWaalsContact O-CD1 3.32Å; S370-I374 WeakPolarHBondContact O-CD1 3.45Å; S370-I374 WeakPolarHBondContact O-CG1 3.24Å; S370-I374 PolarHBondContact O-N 3.38Å
371	L	48.8	Very low	45.1	Very low	125 Å²	125	113.4 Å²	113.4	65%	0.654	62%	0.615	S	S	*	*	H	α-helix	trans	-75.3	-42	178.1	-81.1	174.3	0	0	0	112.9	S369 D373 I374 E375	S369-L371 VanDerWaalsContact C-N 3.31Å; S369-L371 PolarHBondContact O-N 2.84Å; S369-L371 VanDerWaalsContact O-N 3.13Å; L371-D373 VanDerWaalsContact C-N 3.34Å; L371-D373 PolarHBondContact O-N 3.3Å; L371-I374 PolarHBondContact O-N 2.71Å; L371-E375 WeakPolarHBondContact O-CG 3.38Å; L371-E375 PolarHBondContact O-N 3.25Å
372	M	51.4	Low	46.1	Very low	128 Å²	128	111.8 Å²	111.8	63%	0.631	60%	0.601	S	S	*	*	H	α-helix	trans	-69.6	-33.2	179.3	-73.4	177.8	170.3	0	0	111.9	S369 N376	S369-M372 PolarHBondContact O-N 2.84Å; S369-M372 VanDerWaalsContact O-N 3.16Å; M372-N376 VanDerWaalsContact O-CB 3.31Å; M372-N376 WeakPolarHBondContact O-CB 3.33Å; M372-N376 VanDerWaalsContact O-CG 3.27Å; M372-N376 PolarHBondContact O-N 2.96Å; M372-N376 PolarHBondContact O-ND2 3.02Å
373	D	51.2	Low	46.9	Very low	89 Å²	89	114.6 Å²	114.6	48%	0.476	60%	0.597	S	S	.	*	H	α-helix	trans	-66.3	-38.5	172.8	-64.7	-35.9	0	0	0	111	S369 L371 V377	S369-D373 WeakPolarHBondContact CB-OD2 3.41Å; S369-D373 PolarHBondContact O-N 3.05Å; S369-D373 VanDerWaalsContact O-N 3.09Å; S369-D373 PolarHBondContact OG-OD2 2.95Å; L371-D373 VanDerWaalsContact C-N 3.34Å; L371-D373 PolarHBondContact O-N 3.3Å; D373-V377 VanDerWaalsContact O-CG2 3.31Å; D373-V377 WeakPolarHBondContact O-CG2 3.45Å; D373-V377 PolarHBondContact O-N 2.78Å
374	I	56.3	Low	47.8	Very low	93 Å²	93	113 Å²	113	48%	0.477	59%	0.59	S	S	.	*	H	α-helix	trans	-67.9	-45.7	174.3	-71.7	167.7	0	0	0	111.6	S370 L371 N376 V377 I378	S370-I374 VanDerWaalsContact O-CD1 3.32Å; S370-I374 WeakPolarHBondContact O-CD1 3.45Å; S370-I374 WeakPolarHBondContact O-CG1 3.24Å; S370-I374 PolarHBondContact O-N 3.38Å; L371-I374 PolarHBondContact O-N 2.71Å; I374-N376 VanDerWaalsContact C-N 3.33Å; I374-N376 PolarHBondContact O-N 2.91Å; I374-V377 PolarHBondContact O-N 3.32Å; I374-I378 HydrophobicContact CG2-CD1 3.69Å; I374-I378 HydrophobicContact CG2-CG1 4.4Å; I374-I378 VanDerWaalsContact O-CG1 3.31Å; I374-I378 WeakPolarHBondContact O-CG1 3.25Å; I374-I378 PolarHBondContact O-N 3.07Å
375	E	51.9	Low	48.5	Very low	114 Å²	114	111.3 Å²	111.3	53%	0.533	59%	0.589	S	S	.	*	H	α-helix	trans	-61.5	-40.4	176.1	-74.7	-177.8	145.1	0	0	111.6	L371 I378 L379	L371-E375 WeakPolarHBondContact O-CG 3.38Å; L371-E375 PolarHBondContact O-N 3.25Å; E375-I378 PolarHBondContact O-N 3.42Å; E375-L379 VanDerWaalsContact O-CB 3.3Å; E375-L379 WeakPolarHBondContact O-CB 3.5Å; E375-L379 VanDerWaalsContact O-CG 3.25Å; E375-L379 WeakPolarHBondContact O-CG 3.43Å; E375-L379 PolarHBondContact O-N 2.97Å
376	N	52.5	Low	49.4	Very low	103 Å²	103	112 Å²	112	55%	0.551	59%	0.586	S	S	*	*	H	α-helix	trans	-66.7	-34.8	175	-76.3	-47.7	0	0	0	112.7	M372 I374 A380	M372-N376 VanDerWaalsContact O-CB 3.31Å; M372-N376 WeakPolarHBondContact O-CB 3.33Å; M372-N376 VanDerWaalsContact O-CG 3.27Å; M372-N376 PolarHBondContact O-N 2.96Å; M372-N376 PolarHBondContact O-ND2 3.02Å; I374-N376 VanDerWaalsContact C-N 3.33Å; I374-N376 PolarHBondContact O-N 2.91Å; N376-A380 VanDerWaalsContact O-CB 3.29Å; N376-A380 WeakPolarHBondContact O-CB 3.48Å; N376-A380 PolarHBondContact O-N 3.15Å
377	V	56.8	Low	50.7	Low	95 Å²	95	114 Å²	114	58%	0.576	59%	0.586	S	S	*	*	H	α-helix	trans	-70.8	-36.3	173.5	167.3	0	0	0	0	111.9	D373 I374 A380 K381	D373-V377 VanDerWaalsContact O-CG2 3.31Å; D373-V377 WeakPolarHBondContact O-CG2 3.45Å; D373-V377 PolarHBondContact O-N 2.78Å; I374-V377 PolarHBondContact O-N 3.32Å; V377-A380 PolarHBondContact O-N 3.26Å; V377-K381 PolarHBondContact O-N 2.88Å
378	I	54.1	Low	51.8	Low	90 Å²	90	110.6 Å²	110.6	46%	0.462	57%	0.574	S	S	.	*	H	α-helix	trans	-67.5	-43.9	173.6	-70	167.7	0	0	0	110.4	I374 E375 A380 K381 I382	I374-I378 HydrophobicContact CG2-CD1 3.69Å; I374-I378 HydrophobicContact CG2-CG1 4.4Å; I374-I378 VanDerWaalsContact O-CG1 3.31Å; I374-I378 WeakPolarHBondContact O-CG1 3.25Å; I374-I378 PolarHBondContact O-N 3.07Å; E375-I378 PolarHBondContact O-N 3.42Å; I378-A380 VanDerWaalsContact C-N 3.31Å; I378-A380 PolarHBondContact O-N 2.83Å; I378-K381 PolarHBondContact O-N 2.93Å; I378-I382 HydrophobicContact CG2-CD1 3.7Å; I378-I382 HydrophobicContact CG2-CG1 4.48Å; I378-I382 VanDerWaalsContact O-CG1 3.3Å; I378-I382 WeakPolarHBondContact O-CG1 3.48Å; I378-I382 PolarHBondContact O-N 2.94Å
379	L	50.9	Low	53.2	Low	89 Å²	89	110.1 Å²	110.1	47%	0.466	56%	0.564	S	S	.	*	H	α-helix	trans	-70.6	-24	176.1	-71.4	168.9	0	0	0	113.3	E375 R383	E375-L379 VanDerWaalsContact O-CB 3.3Å; E375-L379 WeakPolarHBondContact O-CB 3.5Å; E375-L379 VanDerWaalsContact O-CG 3.25Å; E375-L379 WeakPolarHBondContact O-CG 3.43Å; E375-L379 PolarHBondContact O-N 2.97Å; L379-R383 VanDerWaalsContact O-CG 3.3Å; L379-R383 WeakPolarHBondContact O-CG 3.27Å; L379-R383 PolarHBondContact O-N 2.85Å
380	A	51.7	Low	54.8	Low	50 Å²	50	109.1 Å²	109.1	41%	0.413	56%	0.557	S	S	.	*	H	α-helix	trans	-68.8	-48.6	167.7	0	0	0	0	0	110.6	N376 V377 I378 I382 R383 E384	N376-A380 VanDerWaalsContact O-CB 3.29Å; N376-A380 WeakPolarHBondContact O-CB 3.48Å; N376-A380 PolarHBondContact O-N 3.15Å; V377-A380 PolarHBondContact O-N 3.26Å; I378-A380 VanDerWaalsContact C-N 3.31Å; I378-A380 PolarHBondContact O-N 2.83Å; A380-I382 PolarHBondContact O-N 2.95Å; A380-R383 CarbonylContact O-C 3.54Å; A380-R383 WeakPolarHBondContact O-CA 3.36Å; A380-R383 WeakPolarHBondContact O-CB 3.41Å; A380-R383 PolarHBondContact O-N 3.11Å; A380-E384 PolarHBondContact O-N 3.08Å
381	K	50.8	Low	56.1	Low	131 Å²	131	109.7 Å²	109.7	57%	0.57	55%	0.554	S	S	*	*	H	α-helix	trans	-59	-45.6	174.7	-86.3	-172.7	166.7	-172.1	0	113.3	V377 I378 R383 E384 D385	V377-K381 PolarHBondContact O-N 2.88Å; I378-K381 PolarHBondContact O-N 2.93Å; K381-R383 PolarHBondContact O-N 2.85Å; K381-E384 CarbonylContact O-C 3.55Å; K381-E384 WeakPolarHBondContact O-CA 3.32Å; K381-E384 WeakPolarHBondContact O-CB 3.47Å; K381-E384 PolarHBondContact O-N 3.07Å; K381-D385 VanDerWaalsContact O-CG 3.26Å; K381-D385 PolarHBondContact O-N 3.12Å
382	I	52.1	Low	57.7	Low	90 Å²	90	106.7 Å²	106.7	46%	0.462	55%	0.547	S	S	.	.	H	α-helix	trans	-61.3	-19.4	176.5	-68.3	165.8	0	0	0	112.2	I378 A380	I378-I382 HydrophobicContact CG2-CD1 3.7Å; I378-I382 HydrophobicContact CG2-CG1 4.48Å; I378-I382 VanDerWaalsContact O-CG1 3.3Å; I378-I382 WeakPolarHBondContact O-CG1 3.48Å; I378-I382 PolarHBondContact O-N 2.94Å; A380-I382 PolarHBondContact O-N 2.95Å
383	R	48.3	Very low	59.4	Low	187 Å²	187	105.3 Å²	105.3	71%	0.706	54%	0.541	S	S	*	.	H	α-helix	trans	-92.2	-23.7	171.8	-71.7	174.4	-179.8	-163.3	1.5	113.9	L379 A380 K381 D385	L379-R383 VanDerWaalsContact O-CG 3.3Å; L379-R383 WeakPolarHBondContact O-CG 3.27Å; L379-R383 PolarHBondContact O-N 2.85Å; A380-R383 CarbonylContact O-C 3.54Å; A380-R383 WeakPolarHBondContact O-CA 3.36Å; A380-R383 WeakPolarHBondContact O-CB 3.41Å; A380-R383 PolarHBondContact O-N 3.11Å; K381-R383 PolarHBondContact O-N 2.85Å; R383-D385 VanDerWaalsContact C-N 3.34Å
384	E	49.4	Very low	61.2	Low	112 Å²	112	105.5 Å²	105.5	52%	0.523	54%	0.542	S	S	.	.	H	α-helix	trans	-69.6	-35.8	164.4	-65.8	174.9	155.2	0	0	110	A380 K381 E386 E387 H389	A380-E384 PolarHBondContact O-N 3.08Å; K381-E384 CarbonylContact O-C 3.55Å; K381-E384 WeakPolarHBondContact O-CA 3.32Å; K381-E384 WeakPolarHBondContact O-CB 3.47Å; K381-E384 PolarHBondContact O-N 3.07Å; E384-E386 PolarHBondContact O-N 2.88Å; E384-E387 PolarHBondContact O-N 3.34Å; E384-H389 PolarHBondContact O-CE1 2.89Å
385	D	51.6	Low	62.8	Low	124 Å²	124	107.4 Å²	107.4	66%	0.663	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-13.5	175.5	-65.2	-40.3	0	0	0	113.7	K381 R383	K381-D385 VanDerWaalsContact O-CG 3.26Å; K381-D385 PolarHBondContact O-N 3.12Å; R383-D385 VanDerWaalsContact C-N 3.34Å
386	E	50.4	Low	64.7	Low	170 Å²	170	104.1 Å²	104.1	79%	0.794	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-10.8	170.3	-73.4	-167.6	146	0	0	113.4	E384	E384-E386 PolarHBondContact O-N 2.88Å
387	E	60.1	Low	66.5	Low	140 Å²	140	105.3 Å²	105.3	65%	0.654	54%	0.543	S	S	*	.	S	Bend	trans	-79.4	135.8	171	-63.2	-159.7	157.4	0	0	110.6	E384 H389	E384-E387 PolarHBondContact O-N 3.34Å; E387-H389 VanDerWaalsContact C-N 3.27Å; E387-H389 PolarHBondContact O-N 2.77Å; E387-H389 PolarHBondContact O-ND1 2.83Å
388	D	62.1	Low	68.1	Low	133 Å²	133	108.1 Å²	108.1	71%	0.711	55%	0.547	S	S	*	.			trans	-75	77	-173.1	-162.7	-18.6	0	0	0	112.1	S390	D388-S390 PolarHBondContact O-N 2.87Å; D388-S390 VanDerWaalsContact OD1-CB 3.23Å; D388-S390 WeakPolarHBondContact OD1-CB 3.28Å; D388-S390 PolarHBondContact OD1-N 2.93Å; D388-S390 PolarHBondContact OD1-OG 3.33Å
389	H	69.8	Low	70	Confident	93 Å²	93	107.7 Å²	107.7	43%	0.431	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-7.5	-178.2	-80.8	79	0	0	0	114.1	E384 E387 D391 A392 I393	E384-H389 PolarHBondContact O-CE1 2.89Å; E387-H389 VanDerWaalsContact C-N 3.27Å; E387-H389 PolarHBondContact O-N 2.77Å; E387-H389 PolarHBondContact O-ND1 2.83Å; H389-D391 PolarHBondContact O-N 2.8Å; H389-A392 PolarHBondContact O-N 2.98Å; H389-I393 HydrophobicContact CB-CD1 4.26Å; H389-I393 WeakPolarHBondContact O-CG1 3.36Å; H389-I393 PolarHBondContact O-N 2.71Å
390	S	76.9	Confident	71.8	Confident	55 Å²	55	108.3 Å²	108.3	39%	0.385	54%	0.542	S	S	.	.	H	α-helix	trans	-52.3	-42.8	178.2	63.4	0	0	0	0	112.2	D388 A392 I393 L394	D388-S390 PolarHBondContact O-N 2.87Å; D388-S390 VanDerWaalsContact OD1-CB 3.23Å; D388-S390 WeakPolarHBondContact OD1-CB 3.28Å; D388-S390 PolarHBondContact OD1-N 2.93Å; D388-S390 PolarHBondContact OD1-OG 3.33Å; S390-A392 VanDerWaalsContact C-N 3.26Å; S390-A392 PolarHBondContact O-N 2.92Å; S390-I393 PolarHBondContact O-N 2.73Å; S390-L394 WeakPolarHBondContact O-CB 3.44Å; S390-L394 VanDerWaalsContact O-CG 3.29Å; S390-L394 WeakPolarHBondContact O-CG 3.49Å; S390-L394 PolarHBondContact O-N 2.99Å
391	D	79.9	Confident	73.7	Confident	93 Å²	93	111 Å²	111	50%	0.497	55%	0.546	S	S	.	.	H	α-helix	trans	-74.1	-16.5	-176.7	-156.4	35.1	0	0	0	113	H389 K395	H389-D391 PolarHBondContact O-N 2.8Å; D391-K395 WeakPolarHBondContact O-CD 3.45Å; D391-K395 VanDerWaalsContact O-CE 3.32Å; D391-K395 WeakPolarHBondContact O-CE 3.37Å; D391-K395 WeakPolarHBondContact O-CG 3.19Å; D391-K395 PolarHBondContact O-NZ 3.11Å; D391-K395 WeakPolarHBondContact OD1-CE 3.19Å; D391-K395 IonicContact OD1-NZ 3.94Å; D391-K395 PolarHBondContact OD1-NZ 2.72Å; D391-K395 IonicContact OD2-NZ 3.29Å; D391-K395 PolarHBondContact OD2-NZ 2.96Å
392	A	84.2	Confident	75.7	Confident	61 Å²	61	109.7 Å²	109.7	50%	0.504	55%	0.546	S	S	.	.	H	α-helix	trans	-90.2	-36.4	169.9	0	0	0	0	0	112.1	H389 S390 K395 S396	H389-A392 PolarHBondContact O-N 2.98Å; S390-A392 VanDerWaalsContact C-N 3.26Å; S390-A392 PolarHBondContact O-N 2.92Å; A392-K395 CarbonylContact O-C 3.57Å; A392-K395 PolarHBondContact O-N 3.16Å; A392-S396 PolarHBondContact O-N 2.81Å; A392-S396 VanDerWaalsContact O-N 3.09Å
393	I	87.1	Confident	77.7	Confident	100 Å²	100	109.2 Å²	109.2	51%	0.513	54%	0.543	S	S	.	.	H	α-helix	trans	-64.8	-47.3	175	-68.2	163.4	0	0	0	110.3	H389 S390 K395 S396 F399	H389-I393 HydrophobicContact CB-CD1 4.26Å; H389-I393 WeakPolarHBondContact O-CG1 3.36Å; H389-I393 PolarHBondContact O-N 2.71Å; S390-I393 PolarHBondContact O-N 2.73Å; I393-K395 PolarHBondContact O-N 2.91Å; I393-S396 WeakPolarHBondContact O-CB 3.34Å; I393-S396 PolarHBondContact O-N 3.29Å; I393-F399 VanDerWaalsContact O-CB 3.27Å; I393-F399 WeakPolarHBondContact O-CB 3.32Å
394	L	88.6	Confident	79.7	Confident	93 Å²	93	103.1 Å²	103.1	49%	0.487	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-25.1	176.9	-70.4	172.9	0	0	0	113	S390 F399 H400	S390-L394 WeakPolarHBondContact O-CB 3.44Å; S390-L394 VanDerWaalsContact O-CG 3.29Å; S390-L394 WeakPolarHBondContact O-CG 3.49Å; S390-L394 PolarHBondContact O-N 2.99Å; L394-F399 HydrophobicContact CD2-CD1 4.32Å; L394-F399 HydrophobicContact CD2-CE1 3.64Å; L394-F399 HydrophobicContact CD2-CZ 3.77Å; L394-H400 PolarHBondContact O-CE1 3.16Å
395	K	88.6	Confident	81.8	Confident	132 Å²	132	103.2 Å²	103.2	57%	0.574	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-0.4	175.7	-67.2	172.4	-159.7	140.8	0	113.4	D391 A392 I393	D391-K395 WeakPolarHBondContact O-CD 3.45Å; D391-K395 VanDerWaalsContact O-CE 3.32Å; D391-K395 WeakPolarHBondContact O-CE 3.37Å; D391-K395 WeakPolarHBondContact O-CG 3.19Å; D391-K395 PolarHBondContact O-NZ 3.11Å; D391-K395 WeakPolarHBondContact OD1-CE 3.19Å; D391-K395 IonicContact OD1-NZ 3.94Å; D391-K395 PolarHBondContact OD1-NZ 2.72Å; D391-K395 IonicContact OD2-NZ 3.29Å; D391-K395 PolarHBondContact OD2-NZ 2.96Å; A392-K395 CarbonylContact O-C 3.57Å; A392-K395 PolarHBondContact O-N 3.16Å; I393-K395 PolarHBondContact O-N 2.91Å
396	S	92.2	Very high	83.8	Confident	45 Å²	45	102.4 Å²	102.4	32%	0.315	51%	0.514	S	S	.	.			trans	-71.2	137.2	-178	-173.5	0	0	0	0	111.9	A392 I393 K398 F399 H400	A392-S396 PolarHBondContact O-N 2.81Å; A392-S396 VanDerWaalsContact O-N 3.09Å; I393-S396 WeakPolarHBondContact O-CB 3.34Å; I393-S396 PolarHBondContact O-N 3.29Å; S396-K398 PolarHBondContact O-N 3.01Å; S396-K398 PolarHBondContact OG-N 2.8Å; S396-F399 PolarHBondContact O-N 2.89Å; S396-H400 PolarHBondContact O-N 2.82Å; S396-H400 VanDerWaalsContact O-N 3.14Å; S396-H400 PolarHBondContact O-ND1 2.93Å
397	D	89.9	Confident	85.9	Confident	129 Å²	129	97.3 Å²	97.3	69%	0.69	49%	0.491	S	S	*	.	H	α-helix	trans	-57.7	-29.8	172.5	-72.1	-42.3	0	0	0	112.3	Q401	D397-Q401 VanDerWaalsContact O-CG 3.28Å; D397-Q401 WeakPolarHBondContact O-CG 3.4Å; D397-Q401 PolarHBondContact O-N 3.29Å; D397-Q401 VanDerWaalsContact O-N 3.1Å; D397-Q401 PolarHBondContact O-NE2 3.45Å
398	K	91.8	Very high	87.5	Confident	154 Å²	154	92.3 Å²	92.3	67%	0.67	47%	0.466	S	S	*	.	H	α-helix	trans	-67.8	-51	176.7	-69.1	-175.6	177.7	-178.2	0	111.1	S396 H400 Q401 D402	S396-K398 PolarHBondContact O-N 3.01Å; S396-K398 PolarHBondContact OG-N 2.8Å; K398-H400 VanDerWaalsContact C-N 3.26Å; K398-H400 PolarHBondContact O-N 3.07Å; K398-Q401 WeakPolarHBondContact O-CA 3.36Å; K398-Q401 WeakPolarHBondContact O-CB 3.33Å; K398-Q401 PolarHBondContact O-N 3.04Å; K398-D402 VanDerWaalsContact O-CG 3.31Å; K398-D402 PolarHBondContact O-N 2.86Å
399	F	92.9	Very high	89	Confident	80 Å²	80	90.1 Å²	90.1	35%	0.351	46%	0.457	S	S	.	.	H	α-helix	trans	-58.6	-38.8	178.3	-179	-103.5	0	0	0	112	I393 L394 S396 D402 L403	I393-F399 VanDerWaalsContact O-CB 3.27Å; I393-F399 WeakPolarHBondContact O-CB 3.32Å; L394-F399 HydrophobicContact CD2-CD1 4.32Å; L394-F399 HydrophobicContact CD2-CE1 3.64Å; L394-F399 HydrophobicContact CD2-CZ 3.77Å; S396-F399 PolarHBondContact O-N 2.89Å; F399-D402 PolarHBondContact O-N 3.39Å; F399-L403 HydrophobicContact CE1-CD2 4.44Å; F399-L403 WeakPolarHBondContact O-CB 3.36Å; F399-L403 PolarHBondContact O-N 2.98Å
400	H	89.6	Confident	90.2	Very high	103 Å²	103	90.4 Å²	90.4	48%	0.477	46%	0.461	S	S	.	.	H	α-helix	trans	-65.7	-36.4	173.4	-74.1	84.5	0	0	0	113.4	L394 S396 K398 F404	L394-H400 PolarHBondContact O-CE1 3.16Å; S396-H400 PolarHBondContact O-N 2.82Å; S396-H400 VanDerWaalsContact O-N 3.14Å; S396-H400 PolarHBondContact O-ND1 2.93Å; K398-H400 VanDerWaalsContact C-N 3.26Å; K398-H400 PolarHBondContact O-N 3.07Å; H400-F404 VanDerWaalsContact O-CB 3.28Å; H400-F404 WeakPolarHBondContact O-CB 3.22Å; H400-F404 PolarHBondContact O-N 3.33Å; H400-F404 VanDerWaalsContact O-N 3.1Å
401	Q	91.1	Very high	90.9	Very high	106 Å²	106	89.4 Å²	89.4	50%	0.495	45%	0.451	S	S	.	.	H	α-helix	trans	-67.7	-46.7	173.9	-75.5	163.4	67.8	0	0	111.3	D397 K398 L403 F404 F405	D397-Q401 VanDerWaalsContact O-CG 3.28Å; D397-Q401 WeakPolarHBondContact O-CG 3.4Å; D397-Q401 PolarHBondContact O-N 3.29Å; D397-Q401 VanDerWaalsContact O-N 3.1Å; D397-Q401 PolarHBondContact O-NE2 3.45Å; K398-Q401 WeakPolarHBondContact O-CA 3.36Å; K398-Q401 WeakPolarHBondContact O-CB 3.33Å; K398-Q401 PolarHBondContact O-N 3.04Å; Q401-L403 PolarHBondContact O-N 2.88Å; Q401-F404 PolarHBondContact O-N 3.41Å; Q401-F405 HydrophobicContact CB-CE2 4.42Å; Q401-F405 WeakPolarHBondContact O-CD2 3.42Å; Q401-F405 PolarHBondContact O-N 2.92Å
402	D	93.9	Very high	91.4	Very high	104 Å²	104	88.1 Å²	88.1	56%	0.556	44%	0.442	S	S	*	.	H	α-helix	trans	-63.9	-41.5	179.9	-61.7	-33.4	0	0	0	111.4	K398 F399 F405 M406	K398-D402 VanDerWaalsContact O-CG 3.31Å; K398-D402 PolarHBondContact O-N 2.86Å; F399-D402 PolarHBondContact O-N 3.39Å; D402-F405 PolarHBondContact O-N 2.77Å; D402-M406 WeakPolarHBondContact O-CB 3.07Å; D402-M406 PolarHBondContact O-N 3.14Å
403	L	93.2	Very high	91.8	Very high	79 Å²	79	90.2 Å²	90.2	41%	0.414	45%	0.445	S	S	.	.	H	α-helix	trans	-61.7	-41.6	173.1	179.1	58.7	0	0	0	112.3	F399 Q401 M406 E407	F399-L403 HydrophobicContact CE1-CD2 4.44Å; F399-L403 WeakPolarHBondContact O-CB 3.36Å; F399-L403 PolarHBondContact O-N 2.98Å; Q401-L403 PolarHBondContact O-N 2.88Å; L403-M406 HydrophobicContact CD1-CE 3.54Å; L403-M406 PolarHBondContact O-N 3.28Å; L403-E407 PolarHBondContact O-N 2.93Å
404	F	90.8	Very high	92	Very high	59 Å²	59	90.8 Å²	90.8	26%	0.259	45%	0.447	S	S	.	.	H	α-helix	trans	-68.2	-31.9	176.4	173.9	-115	0	0	0	113.1	H400 Q401 R408 E529	H400-F404 VanDerWaalsContact O-CB 3.28Å; H400-F404 WeakPolarHBondContact O-CB 3.22Å; H400-F404 PolarHBondContact O-N 3.33Å; H400-F404 VanDerWaalsContact O-N 3.1Å; Q401-F404 PolarHBondContact O-N 3.41Å; F404-R408 PolarHBondContact O-N 3.27Å; F404-E529 HydrophobicContact CZ-CG 4Å
405	F	92.9	Very high	92.2	Very high	114 Å²	114	87.5 Å²	87.5	50%	0.5	43%	0.429	S	S	.	.	H	α-helix	trans	-72.4	-38.9	169.4	-70.5	-59.8	0	0	0	112	Q401 D402 R408 V409	Q401-F405 HydrophobicContact CB-CE2 4.42Å; Q401-F405 WeakPolarHBondContact O-CD2 3.42Å; Q401-F405 PolarHBondContact O-N 2.92Å; D402-F405 PolarHBondContact O-N 2.77Å; F405-R408 WeakPolarHBondContact O-CB 3.37Å; F405-R408 PolarHBondContact O-N 3.1Å; F405-V409 WeakPolarHBondContact O-CG2 3.33Å; F405-V409 PolarHBondContact O-N 2.93Å
406	M	94.4	Very high	92.3	Very high	107 Å²	107	87.1 Å²	87.1	53%	0.527	43%	0.43	S	S	.	.	H	α-helix	trans	-62.7	-41.6	175.3	-176.5	170.2	61.2	0	0	112	D402 L403 R408 V409 L410	D402-M406 WeakPolarHBondContact O-CB 3.07Å; D402-M406 PolarHBondContact O-N 3.14Å; L403-M406 HydrophobicContact CD1-CE 3.54Å; L403-M406 PolarHBondContact O-N 3.28Å; M406-R408 VanDerWaalsContact C-N 3.32Å; M406-R408 PolarHBondContact O-N 3.11Å; M406-V409 PolarHBondContact O-N 2.98Å; M406-L410 HydrophobicContact CG-CD1 4.36Å; M406-L410 WeakPolarHBondContact O-CG 3.35Å; M406-L410 PolarHBondContact O-N 3.32Å
407	E	93.4	Very high	92.2	Very high	64 Å²	64	87.9 Å²	87.9	30%	0.299	43%	0.434	S	S	.	.	H	α-helix	trans	-56	-46.2	172.9	-170.3	-167.4	172.8	0	0	111.3	L403 V409 L410 M411 N524	L403-E407 PolarHBondContact O-N 2.93Å; E407-V409 PolarHBondContact O-N 3.44Å; E407-L410 PolarHBondContact O-N 3.2Å; E407-M411 WeakPolarHBondContact O-CG 3.42Å; E407-M411 PolarHBondContact O-N 2.89Å; E407-N524 VanDerWaalsContact CD-ND2 3.29Å; E407-N524 PolarHBondContact OE1-ND2 2.92Å
408	R	93.5	Very high	92.3	Very high	35 Å²	35	86 Å²	86	13%	0.132	42%	0.419	C	S	.	.	H	α-helix	trans	-62.4	-39.7	176.9	-77.3	172.9	148.6	162.6	-3.3	113.2	F404 F405 M406 M411 E412 K523 E529	F404-R408 PolarHBondContact O-N 3.27Å; F405-R408 WeakPolarHBondContact O-CB 3.37Å; F405-R408 PolarHBondContact O-N 3.1Å; M406-R408 VanDerWaalsContact C-N 3.32Å; M406-R408 PolarHBondContact O-N 3.11Å; R408-M411 PolarHBondContact O-N 3.26Å; R408-E412 WeakPolarHBondContact O-CB 3.42Å; R408-E412 PolarHBondContact O-N 3.4Å; R408-K523 HydrophobicContact CG-CB 4.28Å; R408-E529 IonicContact CZ-OE1 3.24Å; R408-E529 IonicContact NH1-OE1 3.85Å; R408-E529 PolarHBondContact NH1-OE1 3.44Å; R408-E529 IonicContact NH2-OE1 3Å; R408-E529 PolarHBondContact NH2-OE1 3.21Å; R408-E529 IonicContact NH2-OE2 2.77Å; R408-E529 PolarHBondContact NH2-OE2 3.09Å
409	V	94.1	Very high	92.3	Very high	87 Å²	87	78.7 Å²	78.7	53%	0.527	39%	0.388	S	S	.	.	H	α-helix	trans	-66	-41.6	176.4	172.8	0	0	0	0	111	F405 M406 E407 M411 E412 N413	F405-V409 WeakPolarHBondContact O-CG2 3.33Å; F405-V409 PolarHBondContact O-N 2.93Å; M406-V409 PolarHBondContact O-N 2.98Å; E407-V409 PolarHBondContact O-N 3.44Å; V409-M411 VanDerWaalsContact C-N 3.34Å; V409-M411 PolarHBondContact O-N 2.86Å; V409-E412 PolarHBondContact O-N 2.71Å; V409-N413 VanDerWaalsContact O-CG 3.26Å; V409-N413 PolarHBondContact O-N 2.64Å; V409-N413 VanDerWaalsContact O-N 3.07Å
410	L	94	Very high	92.2	Very high	98 Å²	98	75.8 Å²	75.8	51%	0.513	38%	0.378	S	S	.	.	H	α-helix	trans	-61.8	-41.8	174.3	-67.7	170.3	0	0	0	111.5	M406 E407 N413 I414	M406-L410 HydrophobicContact CG-CD1 4.36Å; M406-L410 WeakPolarHBondContact O-CG 3.35Å; M406-L410 PolarHBondContact O-N 3.32Å; E407-L410 PolarHBondContact O-N 3.2Å; L410-N413 PolarHBondContact O-N 2.91Å; L410-I414 WeakPolarHBondContact O-CD1 3.34Å; L410-I414 VanDerWaalsContact O-CG1 3.26Å; L410-I414 WeakPolarHBondContact O-CG1 3.09Å; L410-I414 PolarHBondContact O-N 3.46Å
411	M	93.1	Very high	92.2	Very high	35 Å²	35	71.2 Å²	71.2	17%	0.172	36%	0.359	C	S	.	.	H	α-helix	trans	-70.3	-39.9	177.2	-66.2	-63.6	158	0	0	112.9	E407 R408 V409 N413 I414 F415 M526	E407-M411 WeakPolarHBondContact O-CG 3.42Å; E407-M411 PolarHBondContact O-N 2.89Å; R408-M411 PolarHBondContact O-N 3.26Å; V409-M411 VanDerWaalsContact C-N 3.34Å; V409-M411 PolarHBondContact O-N 2.86Å; M411-N413 VanDerWaalsContact C-N 3.28Å; M411-N413 PolarHBondContact O-N 3.42Å; M411-I414 PolarHBondContact O-N 3.41Å; M411-I414 HydrophobicContact SD-CD1 4.32Å; M411-F415 WeakPolarHBondContact O-CD2 3.41Å; M411-F415 PolarHBondContact O-N 3.2Å; M411-F415 HydrophobicContact SD-CE2 4.14Å; M411-M526 HydrophobicContact CE-CB 4.42Å; M411-M526 HydrophobicContact CE-CG 4.38Å; M411-M526 HydrophobicContact SD-CB 4.24Å; M411-M526 HydrophobicContact SD-CG 3.84Å
412	E	90.6	Very high	92.2	Very high	66 Å²	66	67 Å²	67	31%	0.308	34%	0.338	S	S	.	.	H	α-helix	trans	-64.4	-33.6	176.2	-173.7	151	-142.9	0	0	111.6	R408 V409 Q416 L419 R423	R408-E412 WeakPolarHBondContact O-CB 3.42Å; R408-E412 PolarHBondContact O-N 3.4Å; V409-E412 PolarHBondContact O-N 2.71Å; E412-Q416 VanDerWaalsContact O-CA 3.28Å; E412-Q416 WeakPolarHBondContact O-CA 3.47Å; E412-Q416 WeakPolarHBondContact O-CB 3.41Å; E412-Q416 PolarHBondContact O-N 2.91Å; E412-L419 HydrophobicContact CB-CD1 4.37Å; E412-L419 HydrophobicContact CG-CD1 3.99Å; E412-R423 IonicContact OE1-CZ 3.7Å; E412-R423 VanDerWaalsContact OE1-CZ 3.29Å; E412-R423 IonicContact OE1-NH1 3.19Å; E412-R423 PolarHBondContact OE1-NH1 3.29Å; E412-R423 IonicContact OE1-NH2 2.96Å; E412-R423 PolarHBondContact OE1-NH2 2.96Å
413	N	91.5	Very high	92	Very high	104 Å²	104	67 Å²	67	56%	0.556	33%	0.33	S	S	*	.	H	α-helix	trans	-66.3	-50.4	170.3	-68	-11.9	0	0	0	112.1	V409 L410 M411 F415 Q416	V409-N413 VanDerWaalsContact O-CG 3.26Å; V409-N413 PolarHBondContact O-N 2.64Å; V409-N413 VanDerWaalsContact O-N 3.07Å; L410-N413 PolarHBondContact O-N 2.91Å; M411-N413 VanDerWaalsContact C-N 3.28Å; M411-N413 PolarHBondContact O-N 3.42Å; N413-F415 VanDerWaalsContact C-N 3.28Å; N413-F415 PolarHBondContact O-N 3.2Å; N413-Q416 WeakPolarHBondContact O-CB 3.39Å; N413-Q416 PolarHBondContact O-N 3.06Å
414	I	92	Very high	91.7	Very high	112 Å²	112	68 Å²	68	57%	0.574	33%	0.333	S	S	*	.	H	α-helix	trans	-60.5	-37.1	-179.3	-69.8	163.2	0	0	0	112.1	L410 M411	L410-I414 WeakPolarHBondContact O-CD1 3.34Å; L410-I414 VanDerWaalsContact O-CG1 3.26Å; L410-I414 WeakPolarHBondContact O-CG1 3.09Å; L410-I414 PolarHBondContact O-N 3.46Å; M411-I414 PolarHBondContact O-N 3.41Å; M411-I414 HydrophobicContact SD-CD1 4.32Å
415	F	91.9	Very high	91.6	Very high	24 Å²	24	69.8 Å²	69.8	11%	0.105	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	5.9	-177.9	-70.5	-87.2	0	0	0	113.8	M411 N413 K418 L419 W475 P525 M526	M411-F415 WeakPolarHBondContact O-CD2 3.41Å; M411-F415 PolarHBondContact O-N 3.2Å; M411-F415 HydrophobicContact SD-CE2 4.14Å; N413-F415 VanDerWaalsContact C-N 3.28Å; N413-F415 PolarHBondContact O-N 3.2Å; F415-K418 HydrophobicContact CD1-CD 4.07Å; F415-K418 WeakPolarHBondContact O-CA 3.36Å; F415-K418 WeakPolarHBondContact O-CB 3.3Å; F415-K418 PolarHBondContact O-N 2.84Å; F415-L419 HydrophobicContact CB-CD1 3.91Å; F415-L419 HydrophobicContact CB-CG 3.93Å; F415-L419 WeakPolarHBondContact O-CG 3.27Å; F415-L419 PolarHBondContact O-N 2.95Å; F415-W475 HydrophobicContact CD1-CB 4.29Å; F415-W475 HydrophobicContact CE1-CB 3.97Å; F415-P525 HydrophobicContact CD1-CG 4.26Å; F415-P525 HydrophobicContact CD2-CG 4.01Å; F415-P525 HydrophobicContact CE1-CB 4.35Å; F415-P525 HydrophobicContact CE1-CG 4.35Å; F415-P525 HydrophobicContact CE2-CB 4.29Å; F415-P525 HydrophobicContact CE2-CG 4.12Å; F415-P525 HydrophobicContact CG-CG 4.09Å; F415-P525 HydrophobicContact CZ-CB 4.13Å; F415-P525 HydrophobicContact CZ-CG 4.29Å; F415-M526 HydrophobicContact CE2-CG 3.95Å; F415-M526 HydrophobicContact CE2-SD 4.38Å; F415-M526 HydrophobicContact CZ-CG 4.1Å; F415-M526 HydrophobicContact CZ-SD 3.93Å
416	Q	90.6	Very high	91	Very high	124 Å²	124	69.7 Å²	69.7	58%	0.579	36%	0.355	S	S	*	.	H	α-helix	trans	-43.1	-56.9	-173.1	-178	-165.4	-4.8	0	0	114.9	E412 N413 K418 L419 A420	E412-Q416 VanDerWaalsContact O-CA 3.28Å; E412-Q416 WeakPolarHBondContact O-CA 3.47Å; E412-Q416 WeakPolarHBondContact O-CB 3.41Å; E412-Q416 PolarHBondContact O-N 2.91Å; N413-Q416 WeakPolarHBondContact O-CB 3.39Å; N413-Q416 PolarHBondContact O-N 3.06Å; Q416-K418 VanDerWaalsContact C-N 3.26Å; Q416-K418 PolarHBondContact O-N 3.19Å; Q416-L419 PolarHBondContact O-N 3.11Å; Q416-A420 WeakPolarHBondContact O-CB 3.44Å; Q416-A420 PolarHBondContact O-N 3.03Å
417	P	90.7	Very high	90.3	Very high	62 Å²	62	67.7 Å²	67.7	40%	0.403	35%	0.349	S	S	.	.	H	α-helix	trans	-64.5	-31.2	-177.6	24.8	-35	0	0	0	112.7	A421 V427	P417-A421 WeakPolarHBondContact O-CB 3.34Å; P417-A421 PolarHBondContact O-N 2.8Å; P417-V427 HydrophobicContact CB-CG1 3.69Å; P417-V427 WeakPolarHBondContact O-CG2 3.38Å
418	K	92.1	Very high	89.4	Confident	88 Å²	88	71.8 Å²	71.8	38%	0.383	37%	0.372	S	S	.	.	H	α-helix	trans	-77.4	-35.7	179.3	-64.3	169.5	167.6	-151	0	111.8	F415 Q416 Y422 L474 W475	F415-K418 HydrophobicContact CD1-CD 4.07Å; F415-K418 WeakPolarHBondContact O-CA 3.36Å; F415-K418 WeakPolarHBondContact O-CB 3.3Å; F415-K418 PolarHBondContact O-N 2.84Å; Q416-K418 VanDerWaalsContact C-N 3.26Å; Q416-K418 PolarHBondContact O-N 3.19Å; K418-Y422 WeakPolarHBondContact O-CB 3.49Å; K418-Y422 PolarHBondContact O-N 2.89Å; K418-L474 HydrophobicContact CB-CB 4.49Å; K418-L474 VanDerWaalsContact CD-O 3.24Å; K418-L474 WeakPolarHBondContact CD-O 3.28Å; K418-L474 VanDerWaalsContact CE-O 3.27Å; K418-L474 WeakPolarHBondContact CE-O 3.48Å; K418-L474 PolarHBondContact NZ-O 2.86Å; K418-W475 HydrophobicContact CB-CE3 4.24Å
419	L	91.5	Very high	88.3	Confident	2 Å²	2	79.4 Å²	79.4	1%	0.01	41%	0.406	C	S	.	.	H	α-helix	trans	-71.4	-34.2	172.5	-66.9	175.6	0	0	0	111.5	E412 F415 Q416 R423 W475 I522	E412-L419 HydrophobicContact CB-CD1 4.37Å; E412-L419 HydrophobicContact CG-CD1 3.99Å; F415-L419 HydrophobicContact CB-CD1 3.91Å; F415-L419 HydrophobicContact CB-CG 3.93Å; F415-L419 WeakPolarHBondContact O-CG 3.27Å; F415-L419 PolarHBondContact O-N 2.95Å; Q416-L419 PolarHBondContact O-N 3.11Å; L419-R423 VanDerWaalsContact O-CB 3.28Å; L419-R423 WeakPolarHBondContact O-CB 3.34Å; L419-R423 WeakPolarHBondContact O-CD 3.26Å; L419-R423 WeakPolarHBondContact O-CG 3.39Å; L419-R423 PolarHBondContact O-N 2.6Å; L419-W475 HydrophobicContact CD2-CH2 4.02Å; L419-W475 HydrophobicContact CD2-CZ3 4.08Å; L419-I522 HydrophobicContact CD2-CG2 3.5Å
420	A	90.3	Very high	86.9	Confident	19 Å²	19	83.3 Å²	83.3	16%	0.157	42%	0.419	C	S	.	.	H	α-helix	trans	-62.8	-50.3	170.2	0	0	0	0	0	111.2	Q416 Y422 R423 Q424 L425 V427	Q416-A420 WeakPolarHBondContact O-CB 3.44Å; Q416-A420 PolarHBondContact O-N 3.03Å; A420-Y422 PolarHBondContact O-N 2.94Å; A420-R423 CarbonylContact O-C 3.6Å; A420-R423 PolarHBondContact O-N 2.77Å; A420-R423 VanDerWaalsContact O-N 3.13Å; A420-Q424 PolarHBondContact O-N 2.93Å; A420-L425 HydrophobicContact CB-CB 4.2Å; A420-L425 PolarHBondContact O-N 3.4Å; A420-V427 HydrophobicContact CB-CG2 4.35Å
421	A	90.2	Very high	85	Confident	7 Å²	7	84.4 Å²	84.4	6%	0.058	43%	0.432	C	S	.	.	H	α-helix	trans	-57	-48.3	175.3	0	0	0	0	0	112.4	P417 R423 Q424 V427 L474	P417-A421 WeakPolarHBondContact O-CB 3.34Å; P417-A421 PolarHBondContact O-N 2.8Å; A421-R423 VanDerWaalsContact C-N 3.32Å; A421-R423 PolarHBondContact O-N 3.38Å; A421-Q424 WeakPolarHBondContact O-CA 3.43Å; A421-Q424 PolarHBondContact O-N 2.96Å; A421-V427 HydrophobicContact CB-CG2 3.96Å; A421-L474 HydrophobicContact CB-CD2 3.98Å
422	Y	91.3	Very high	83.2	Confident	18 Å²	18	91 Å²	91	7%	0.071	46%	0.462	C	S	.	.	H	α-helix	trans	-56.9	-43.6	173.9	178.5	-92.9	0	0	0	112.4	K418 A420 Q424 L474 W475 I522 A800 T803 C805 V817	K418-Y422 WeakPolarHBondContact O-CB 3.49Å; K418-Y422 PolarHBondContact O-N 2.89Å; A420-Y422 PolarHBondContact O-N 2.94Å; Y422-Q424 PolarHBondContact O-N 3.33Å; Y422-L474 HydrophobicContact CD2-CD1 4.46Å; Y422-W475 HydrophobicContact CD1-CH2 4.38Å; Y422-W475 AromaticContact CD2-CH2 3.68Å; Y422-W475 HydrophobicContact CD2-CH2 3.68Å; Y422-W475 HydrophobicContact CD2-CZ3 4.33Å; Y422-W475 HydrophobicContact CE2-CH2 4.35Å; Y422-W475 AromaticContact CG-CH2 3.71Å; Y422-W475 HydrophobicContact CG-CH2 3.71Å; Y422-W475 HydrophobicContact CG-CZ3 4.24Å; Y422-I522 HydrophobicContact CD1-CD1 4.49Å; Y422-I522 HydrophobicContact CE1-CD1 3.58Å; Y422-I522 WeakPolarHBondContact OH-CD1 3.33Å; Y422-A800 HydrophobicContact CE2-CB 4.39Å; Y422-T803 HydrophobicContact CD1-CG2 4.17Å; Y422-T803 HydrophobicContact CE1-CG2 3.91Å; Y422-T803 WeakPolarHBondContact CE2-OG1 3.35Å; Y422-T803 WeakPolarHBondContact O-CB 3.41Å; Y422-T803 WeakPolarHBondContact O-CG2 3.36Å; Y422-C805 HydrophobicContact CD2-CB 3.89Å; Y422-C805 WeakPolarHBondContact CD2-SG 3.37Å; Y422-C805 HydrophobicContact CE2-CB 3.77Å; Y422-V817 HydrophobicContact CD2-CG1 4.16Å; Y422-V817 HydrophobicContact CE2-CG1 4.28Å
423	R	90.1	Very high	81.4	Confident	103 Å²	103	93.5 Å²	93.5	39%	0.389	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	3.4	176.3	-69.2	170.2	179.5	155.4	1.3	113.5	E412 L419 A420 A421 L425	E412-R423 IonicContact OE1-CZ 3.7Å; E412-R423 VanDerWaalsContact OE1-CZ 3.29Å; E412-R423 IonicContact OE1-NH1 3.19Å; E412-R423 PolarHBondContact OE1-NH1 3.29Å; E412-R423 IonicContact OE1-NH2 2.96Å; E412-R423 PolarHBondContact OE1-NH2 2.96Å; L419-R423 VanDerWaalsContact O-CB 3.28Å; L419-R423 WeakPolarHBondContact O-CB 3.34Å; L419-R423 WeakPolarHBondContact O-CD 3.26Å; L419-R423 WeakPolarHBondContact O-CG 3.39Å; L419-R423 PolarHBondContact O-N 2.6Å; A420-R423 CarbonylContact O-C 3.6Å; A420-R423 PolarHBondContact O-N 2.77Å; A420-R423 VanDerWaalsContact O-N 3.13Å; A421-R423 VanDerWaalsContact C-N 3.32Å; A421-R423 PolarHBondContact O-N 3.38Å; R423-L425 HydrophobicContact CB-CD1 3.95Å; R423-L425 HydrophobicContact CB-CG 3.95Å; R423-L425 PolarHBondContact O-N 3.48Å
424	Q	87.3	Confident	79.2	Confident	100 Å²	100	97.5 Å²	97.5	47%	0.467	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	32.3	-179.4	-38	-158	-97.3	0	0	113.1	A420 A421 Y422 D804	A420-Q424 PolarHBondContact O-N 2.93Å; A421-Q424 WeakPolarHBondContact O-CA 3.43Å; A421-Q424 PolarHBondContact O-N 2.96Å; Y422-Q424 PolarHBondContact O-N 3.33Å; Q424-D804 PolarHBondContact NE2-OD2 2.81Å; Q424-D804 PolarHBondContact OE1-OD2 3.43Å
425	L	87.2	Confident	77	Confident	97 Å²	97	100.7 Å²	100.7	51%	0.508	51%	0.512	S	S	.	.			trans	-95.7	149	177.3	-60.3	175.7	0	0	0	110.5	A420 R423 V427	A420-L425 HydrophobicContact CB-CB 4.2Å; A420-L425 PolarHBondContact O-N 3.4Å; R423-L425 HydrophobicContact CB-CD1 3.95Å; R423-L425 HydrophobicContact CB-CG 3.95Å; R423-L425 PolarHBondContact O-N 3.48Å; L425-V427 PolarHBondContact O-N 2.83Å
426	P	80.9	Confident	74.8	Confident	111 Å²	111	105.3 Å²	105.3	72%	0.721	54%	0.544	S	S	*	.			trans	-62.2	119.7	177.6	25.9	-34.2	0	0	0	110.6	L428	P426-L428 PolarHBondContact O-N 2.71Å; P426-L428 VanDerWaalsContact O-N 3.14Å
427	V	80.1	Confident	72.8	Confident	66 Å²	66	109 Å²	109	40%	0.4	56%	0.562	S	S	.	*			trans	-75.7	102.7	174.5	-177.1	0	0	0	0	108.4	P417 A420 A421 L425 K429	P417-V427 HydrophobicContact CB-CG1 3.69Å; P417-V427 WeakPolarHBondContact O-CG2 3.38Å; A420-V427 HydrophobicContact CB-CG2 4.35Å; A421-V427 HydrophobicContact CB-CG2 3.96Å; L425-V427 PolarHBondContact O-N 2.83Å; V427-K429 PolarHBondContact O-N 2.89Å
428	L	74.3	Confident	70.5	Confident	150 Å²	150	112.3 Å²	112.3	79%	0.785	58%	0.576	S	S	*	*			trans	-65.6	116	165.9	-59.1	-179.9	0	0	0	107.8	P426 E430	P426-L428 PolarHBondContact O-N 2.71Å; P426-L428 VanDerWaalsContact O-N 3.14Å; L428-E430 PolarHBondContact O-N 3.22Å
429	K	69.7	Low	68	Low	195 Å²	195	116.8 Å²	116.8	85%	0.848	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-70.7	119.6	159.5	-67.5	-174.1	177.6	-173.6	0	106.6	V427	V427-K429 PolarHBondContact O-N 2.89Å
430	E	65.6	Low	65.3	Low	168 Å²	168	124 Å²	124	79%	0.785	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-62.4	137.3	159.6	-64.8	-174.1	133.9	0	0	107.3	L428 E432	L428-E430 PolarHBondContact O-N 3.22Å; E430-E432 PolarHBondContact O-N 2.8Å
431	P	54.2	Low	62.7	Low	121 Å²	121	131 Å²	131	79%	0.786	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-63.2	124.3	171.6	27.3	-32.1	0	0	0	107.7
432	E	54.8	Low	59.9	Low	175 Å²	175	135.8 Å²	135.8	82%	0.818	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-58.3	134.2	169.2	-66.5	-178.4	165.8	0	0	107.6	E430 E434	E430-E432 PolarHBondContact O-N 2.8Å; E432-E434 PolarHBondContact O-N 3.21Å; E432-E434 VanDerWaalsContact O-N 3.11Å
433	P	53.6	Low	56.9	Low	117 Å²	117	139.6 Å²	139.6	76%	0.76	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-63.7	118.6	177.8	26.7	-32.6	0	0	0	107.9	E435	P433-E435 PolarHBondContact O-N 3.04Å
434	E	44	Very low	54.1	Low	189 Å²	189	142.3 Å²	142.3	88%	0.883	75%	0.746	S	S	*	*			trans	-53.5	106.2	174.7	-65.8	173.2	170.8	0	0	108.6	E432	E432-E434 PolarHBondContact O-N 3.21Å; E432-E434 VanDerWaalsContact O-N 3.11Å
435	E	46.3	Very low	51.2	Low	178 Å²	178	146 Å²	146	83%	0.832	76%	0.763	S	S	*	*			trans	-62.7	124.5	169.9	-69.5	-160.7	153.6	0	0	106.9	P433 E437	P433-E435 PolarHBondContact O-N 3.04Å; E435-E437 PolarHBondContact O-N 3.29Å
436	P	45.3	Very low	48.4	Very low	122 Å²	122	150.2 Å²	150.2	79%	0.792	78%	0.78	S	S	*	*			trans	-66.7	114.4	-171.5	24.9	-33.4	0	0	0	110.2	D438	P436-D438 VanDerWaalsContact C-N 3.29Å; P436-D438 PolarHBondContact O-N 3.31Å
437	E	48.5	Very low	45.8	Very low	201 Å²	201	154 Å²	154	94%	0.939	79%	0.788	S	S	*	*			trans	-63.6	86.4	170.7	-73.7	-162.2	152.6	0	0	110.6	E435	E435-E437 PolarHBondContact O-N 3.29Å
438	D	43.4	Very low	43.3	Very low	132 Å²	132	157.5 Å²	157.5	71%	0.706	81%	0.809	S	S	*	*			trans	-155.2	146.4	159.6	-135.2	-24.5	0	0	0	111.6	P436	P436-D438 VanDerWaalsContact C-N 3.29Å; P436-D438 PolarHBondContact O-N 3.31Å
439	F	38.5	Very low	41.2	Very low	181 Å²	181	159.2 Å²	159.2	79%	0.794	81%	0.813	S	S	*	*	S	Bend	trans	62.1	83.7	-177.9	-58.1	-86.2	0	0	0	118.3
440	L	35.3	Very low	39.4	Very low	154 Å²	154	159.3 Å²	159.3	81%	0.806	82%	0.817	S	S	*	*				-161.9	31.5	117.1	-108.1	170.4	0	0	0	117.1	S442	L440-S442 VanDerWaalsContact C-N 3.34Å; L440-S442 PolarHBondContact O-N 2.97Å
441	E	35.5	Very low	37.6	Very low	166 Å²	166	159.9 Å²	159.9	78%	0.776	82%	0.819	S	S	*	*			trans	-67.9	86.4	165.8	-106.2	-136.2	125.5	0	0	111.3	K444	E441-K444 WeakPolarHBondContact OE1-CE 3.01Å; E441-K444 IonicContact OE1-NZ 2.69Å; E441-K444 PolarHBondContact OE1-NZ 2.86Å
442	S	31.8	Very low	36.4	Very low	107 Å²	107	159.7 Å²	159.7	75%	0.748	82%	0.821	S	S	*	*			trans	-163.1	33.3	164.7	43.1	0	0	0	0	115.4	L440	L440-S442 VanDerWaalsContact C-N 3.34Å; L440-S442 PolarHBondContact O-N 2.97Å
443	A	29	Very low	35.2	Very low	99 Å²	99	161.2 Å²	161.2	82%	0.818	83%	0.825	S	S	*	*			trans	-142.1	58	176	0	0	0	0	0	114.1
444	K	30.2	Very low	34.1	Very low	160 Å²	160	164.5 Å²	164.5	70%	0.696	83%	0.827	S	S	*	*			trans	-83.1	114.6	168	-76.5	174.2	179.6	150.6	0	110.2	E441	E441-K444 WeakPolarHBondContact OE1-CE 3.01Å; E441-K444 IonicContact OE1-NZ 2.69Å; E441-K444 PolarHBondContact OE1-NZ 2.86Å
445	H	26.7	Very low	33.5	Very low	177 Å²	177	164.7 Å²	164.7	82%	0.819	83%	0.828	S	S	*	*				173.5	151.2	118.8	-95.3	-69.5	0	0	0	111.8
446	E	28	Very low	32.6	Very low	186 Å²	186	165.5 Å²	165.5	87%	0.869	83%	0.832	S	S	*	*	S	Bend	trans	69	122	-176.7	-58.4	172.3	-171.7	0	0	112.5
447	E	27.9	Very low	32	Very low	189 Å²	189	168.6 Å²	168.6	88%	0.883	84%	0.836	S	S	*	*			cis	-124.1	174.3	8.2	-63.3	179.7	128.7	0	0	112.1
448	V	27.6	Very low	31.5	Very low	141 Å²	141	168.2 Å²	168.2	86%	0.855	83%	0.834	S	S	*	*			trans	-134.4	150.4	178.6	-179.7	0	0	0	0	109.4
449	E	28.6	Very low	31.2	Very low	185 Å²	185	171.1 Å²	171.1	86%	0.864	84%	0.844	S	S	*	*			trans	106.6	84.1	172.8	-60.6	-172.5	173.6	0	0	116.5
450	E	31.9	Very low	30.9	Very low	197 Å²	197	169.6 Å²	169.6	92%	0.921	84%	0.842	S	S	*	*	S	Bend		176.9	62.8	118.8	-91.7	-148.1	151.9	0	0	112.1
451	E	29.1	Very low	30.5	Very low	180 Å²	180	170.7 Å²	170.7	84%	0.841	84%	0.843	S	S	*	*			trans	-148.3	96.4	163.3	-147.3	161.2	-145.8	0	0	112.4
452	S	27.8	Very low	30.5	Very low	118 Å²	118	168 Å²	168	83%	0.825	85%	0.848	S	S	*	*			trans	-156.9	61.6	176.9	69	0	0	0	0	111.5
453	K	30.6	Very low	30.5	Very low	207 Å²	207	171.1 Å²	171.1	90%	0.9	85%	0.851	S	S	*	*	S	Bend	trans	-160.4	33.6	-178.3	-129.7	172.3	-168.9	177.5	0	117
454	K	30.9	Very low	31	Very low	186 Å²	186	175.3 Å²	175.3	81%	0.809	85%	0.854	S	S	*	*	S	Bend	trans	-137.5	7.6	-175.6	-85.2	-172.2	175.7	174.9	0	116.9
455	E	30.4	Very low	31.3	Very low	193 Å²	193	173.1 Å²	173.1	90%	0.902	86%	0.859	S	S	*	*	S	Bend	trans	-121	25.1	-172.7	-61.2	-173.1	152.9	0	0	114.1
456	E	27.5	Very low	32.8	Very low	194 Å²	194	170.7 Å²	170.7	91%	0.907	86%	0.857	S	S	*	*	S	Bend	trans	-131.4	25.6	177	-69.9	-166.1	143.6	0	0	114.1
457	E	32.3	Very low	34.8	Very low	187 Å²	187	167.6 Å²	167.6	87%	0.874	85%	0.845	S	S	*	*			trans	-120.6	3.5	174.6	-69.7	-168.3	168.1	0	0	115.1
458	E	37.6	Very low	37.1	Very low	194 Å²	194	163.5 Å²	163.5	91%	0.907	84%	0.835	S	S	*	*	S	Bend	trans	-100.2	64.5	171.3	-69.5	-159.2	167	0	0	113.5
459	E	38.5	Very low	39.8	Very low	193 Å²	193	157.7 Å²	157.7	90%	0.902	80%	0.801	S	S	*	*			trans	-170.1	52.5	147.4	-115.6	-171	-174.1	0	0	113.9
460	I	31.5	Very low	42.6	Very low	148 Å²	148	153.5 Å²	153.5	76%	0.759	79%	0.785	S	S	*	*	S	Bend	trans	-126.8	101.8	172.3	-55.7	-175.9	0	0	0	112.3
461	H	28.2	Very low	45.4	Very low	177 Å²	177	144.6 Å²	144.6	82%	0.819	74%	0.744	S	S	*	*			trans	55.4	129.1	161.8	-71.6	-65.9	0	0	0	120.7	E463	H461-E463 PolarHBondContact O-N 3.49Å; H461-E463 VanDerWaalsContact O-N 3.15Å
462	A	35.5	Very low	48.3	Very low	109 Å²	109	140 Å²	140	90%	0.901	72%	0.722	S	S	*	*			trans	-76.6	93.2	165.4	0	0	0	0	0	111.4
463	E	30.5	Very low	51.4	Low	173 Å²	173	141 Å²	141	81%	0.808	71%	0.708	S	S	*	*			trans	-120.9	155.1	155.4	-65	-167.6	147.2	0	0	108.7	H461 S465	H461-E463 PolarHBondContact O-N 3.49Å; H461-E463 VanDerWaalsContact O-N 3.15Å; E463-S465 PolarHBondContact O-N 2.83Å
464	E	40.8	Very low	54.3	Low	187 Å²	187	131.3 Å²	131.3	87%	0.874	67%	0.666	S	S	*	*			trans	-72.6	89.2	-172.1	-66.8	-179	131.8	0	0	112.2	T466	E464-T466 PolarHBondContact O-N 2.84Å
465	S	35	Very low	57.4	Low	114 Å²	114	123 Å²	123	80%	0.797	63%	0.629	S	S	*	*			trans	-69.7	71.1	174.3	50.2	0	0	0	0	112	E463 I467	E463-S465 PolarHBondContact O-N 2.83Å; S465-I467 PolarHBondContact O-N 2.91Å
466	T	57.7	Low	60.5	Low	126 Å²	126	114.7 Å²	114.7	77%	0.773	59%	0.593	S	S	*	*			trans	-55.2	107.6	176.7	44.6	0	0	0	0	111.2	E464	E464-T466 PolarHBondContact O-N 2.84Å
467	I	70.8	Confident	63.7	Low	122 Å²	122	105.5 Å²	105.5	63%	0.626	55%	0.55	S	S	*	*	P	Polyproline II helix	trans	-59.4	129.6	179.8	-55.4	173.4	0	0	0	108.2	S465 N822	S465-I467 PolarHBondContact O-N 2.91Å; I467-N822 WeakPolarHBondContact CB-ND2 3.38Å; I467-N822 VanDerWaalsContact CG2-ND2 3.28Å; I467-N822 WeakPolarHBondContact CG2-ND2 3.49Å; I467-N822 VanDerWaalsContact O-CB 3.23Å; I467-N822 WeakPolarHBondContact O-CB 3.4Å; I467-N822 PolarHBondContact O-ND2 3.18Å
468	P	76.8	Confident	66.7	Low	102 Å²	102	98.3 Å²	98.3	66%	0.662	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-60.9	155.3	-175.6	23.6	-34.3	0	0	0	112.6	N470 N822	P468-N470 PolarHBondContact O-N 3.45Å; P468-N822 PolarHBondContact O-ND2 3.2Å
469	A	83.4	Confident	69.3	Low	19 Å²	19	90 Å²	90	16%	0.157	48%	0.483	C	S	.	.	P	Polyproline II helix	trans	-59.7	130.1	175.2	0	0	0	0	0	110.4	L783 I784 R821 N822 M823	A469-L783 HydrophobicContact CB-CD1 4.48Å; A469-L783 HydrophobicContact CB-CD2 4.04Å; A469-L783 HydrophobicContact CB-CG 4.13Å; A469-I784 HydrophobicContact CB-CD1 3.89Å; A469-I784 HydrophobicContact CB-CG1 4Å; A469-R821 WeakPolarHBondContact CA-O 3.43Å; A469-N822 WeakPolarHBondContact CB-O 3.44Å; A469-M823 HydrophobicContact CB-SD 4.29Å
470	N	87.2	Confident	71.8	Confident	97 Å²	97	87.7 Å²	87.7	52%	0.519	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	156.4	-171.6	-163	3.2	0	0	0	111.8	P468 R821	P468-N470 PolarHBondContact O-N 3.45Å; N470-R821 PolarHBondContact N-O 3.15Å; N470-R821 PolarHBondContact O-N 2.81Å
471	L	90.6	Very high	74.7	Confident	11 Å²	11	84 Å²	84	6%	0.058	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	90.6	-174.1	-171.1	68.9	0	0	0	110.2	I772 I784 N786 L806 Y818 E819 L820	L471-I772 HydrophobicContact CD1-CD1 3.86Å; L471-I772 HydrophobicContact CD2-CD1 3.89Å; L471-I772 HydrophobicContact CG-CD1 4.3Å; L471-I784 HydrophobicContact CB-CG2 4.05Å; L471-N786 HydrophobicContact CD2-CB 3.73Å; L471-L806 HydrophobicContact CD1-CB 4.35Å; L471-L806 HydrophobicContact CD1-CD2 4.48Å; L471-L806 HydrophobicContact CD2-CD2 4.46Å; L471-Y818 VanDerWaalsContact CD1-CB 3.48Å; L471-Y818 HydrophobicContact CD1-CG 4.24Å; L471-Y818 HydrophobicContact CD2-CD1 4.12Å; L471-Y818 HydrophobicContact CD2-CG 4.08Å; L471-Y818 HydrophobicContact CG-CD1 3.74Å; L471-Y818 HydrophobicContact CG-CG 3.81Å; L471-E819 CarbonylContact C-O 3.53Å; L471-E819 WeakPolarHBondContact CA-O 3.42Å; L471-L820 HydrophobicContact CD1-CD2 3.71Å; L471-L820 HydrophobicContact CD1-CG 4.03Å
472	E	90.6	Very high	77.8	Confident	83 Å²	83	75.6 Å²	75.6	39%	0.388	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	128.9	-173.4	-175.3	169.4	118.8	0	0	112	L474 Y818 E819 R821	E472-L474 PolarHBondContact O-N 3.45Å; E472-Y818 CarbonylContact O-C 3.55Å; E472-Y818 WeakPolarHBondContact O-CA 3.33Å; E472-E819 PolarHBondContact N-O 2.93Å; E472-E819 PolarHBondContact O-N 2.93Å; E472-R821 VanDerWaalsContact CD-CZ 3.47Å; E472-R821 IonicContact OE1-CZ 3.55Å; E472-R821 IonicContact OE1-NH1 3.88Å; E472-R821 PolarHBondContact OE1-NH1 2.7Å; E472-R821 IonicContact OE1-NH2 2.66Å; E472-R821 PolarHBondContact OE1-NH2 3.12Å; E472-R821 IonicContact OE2-CZ 3.79Å; E472-R821 IonicContact OE2-NH1 3.63Å; E472-R821 PolarHBondContact OE2-NH1 2.86Å; E472-R821 IonicContact OE2-NH2 2.83Å
473	R	93	Very high	80.4	Confident	139 Å²	139	77.2 Å²	77.2	53%	0.525	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	108.8	179.8	-170.5	178.4	58.9	158.9	-4.4	111.4	Y818	R473-Y818 HydrophobicContact CB-CD1 3.72Å; R473-Y818 HydrophobicContact CB-CE1 3.56Å; R473-Y818 HydrophobicContact CG-CD1 4.27Å; R473-Y818 HydrophobicContact CG-CE1 4Å
474	L	92.6	Very high	83.1	Confident	4 Å²	4	70.6 Å²	70.6	2%	0.021	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	-61.3	176.8	-58.9	-179.4	0	0	0	111.2	K418 A421 Y422 E472 V817 E819	K418-L474 HydrophobicContact CB-CB 4.49Å; K418-L474 VanDerWaalsContact CD-O 3.24Å; K418-L474 WeakPolarHBondContact CD-O 3.28Å; K418-L474 VanDerWaalsContact CE-O 3.27Å; K418-L474 WeakPolarHBondContact CE-O 3.48Å; K418-L474 PolarHBondContact NZ-O 2.86Å; A421-L474 HydrophobicContact CB-CD2 3.98Å; Y422-L474 HydrophobicContact CD2-CD1 4.46Å; E472-L474 PolarHBondContact O-N 3.45Å; L474-V817 PolarHBondContact N-O 3.44Å; L474-E819 HydrophobicContact CD1-CB 4.13Å; L474-E819 HydrophobicContact CD2-CB 4.12Å; L474-E819 HydrophobicContact CG-CB 4.07Å
475	W	94.9	Very high	85.5	Confident	10 Å²	10	63.1 Å²	63.1	4%	0.038	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	179.5	177.8	70.2	87.5	0	0	0	111.2	F415 K418 L419 Y422 F477 I522 P525 V817	F415-W475 HydrophobicContact CD1-CB 4.29Å; F415-W475 HydrophobicContact CE1-CB 3.97Å; K418-W475 HydrophobicContact CB-CE3 4.24Å; L419-W475 HydrophobicContact CD2-CH2 4.02Å; L419-W475 HydrophobicContact CD2-CZ3 4.08Å; Y422-W475 HydrophobicContact CD1-CH2 4.38Å; Y422-W475 AromaticContact CD2-CH2 3.68Å; Y422-W475 HydrophobicContact CD2-CH2 3.68Å; Y422-W475 HydrophobicContact CD2-CZ3 4.33Å; Y422-W475 HydrophobicContact CE2-CH2 4.35Å; Y422-W475 AromaticContact CG-CH2 3.71Å; Y422-W475 HydrophobicContact CG-CH2 3.71Å; Y422-W475 HydrophobicContact CG-CZ3 4.24Å; W475-F477 AromaticContact CE2-CZ 3.98Å; W475-F477 HydrophobicContact CZ2-CZ 4.1Å; W475-F477 AromaticContact NE1-CD1 3.98Å; W475-F477 AromaticContact NE1-CD2 3.9Å; W475-F477 AromaticContact NE1-CE1 3.52Å; W475-F477 AromaticContact NE1-CE2 3.44Å; W475-F477 AromaticContact NE1-CZ 3.23Å; W475-I522 HydrophobicContact CH2-CG2 4.15Å; W475-I522 HydrophobicContact CZ2-CG2 4.12Å; W475-P525 HydrophobicContact CG-CB 4.23Å; W475-P525 HydrophobicContact CG-CG 4.47Å; W475-V817 HydrophobicContact CD2-CB 4.15Å; W475-V817 HydrophobicContact CD2-CG2 4.2Å; W475-V817 HydrophobicContact CG-CG2 4.43Å; W475-V817 HydrophobicContact CH2-CG1 4.16Å; W475-V817 HydrophobicContact CZ2-CB 4.16Å; W475-V817 HydrophobicContact CZ2-CG1 4.03Å; W475-V817 HydrophobicContact CZ2-CG2 3.85Å; W475-V817 PolarHBondContact O-N 2.84Å
476	S	94.7	Very high	88.2	Confident	20 Å²	20	59.5 Å²	59.5	14%	0.14	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	132.1	172.3	-52.9	0	0	0	0	109.6	S478 V815 S816	S476-S478 PolarHBondContact O-N 3.23Å; S476-V815 CarbonylContact C-O 3.53Å; S476-V815 WeakPolarHBondContact CA-O 3.38Å; S476-S816 PolarHBondContact OG-OG 3.15Å
477	F	96	Very high	90	Very high	1 Å²	1	53.6 Å²	53.6	0%	0.004	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	115.4	170.3	-60.5	-76.2	0	0	0	108.9	W475 L500 W520 P525 Q814 V815 V817	W475-F477 AromaticContact CE2-CZ 3.98Å; W475-F477 HydrophobicContact CZ2-CZ 4.1Å; W475-F477 AromaticContact NE1-CD1 3.98Å; W475-F477 AromaticContact NE1-CD2 3.9Å; W475-F477 AromaticContact NE1-CE1 3.52Å; W475-F477 AromaticContact NE1-CE2 3.44Å; W475-F477 AromaticContact NE1-CZ 3.23Å; F477-L500 HydrophobicContact CD2-CD2 4.12Å; F477-L500 HydrophobicContact CE2-CD2 4.05Å; F477-W520 HydrophobicContact CB-CD2 3.78Å; F477-W520 HydrophobicContact CB-CE3 3.91Å; F477-W520 HydrophobicContact CB-CG 4.19Å; F477-W520 HydrophobicContact CB-CH2 4.41Å; F477-W520 HydrophobicContact CB-CZ2 4.29Å; F477-W520 HydrophobicContact CB-CZ3 4.22Å; F477-W520 HydrophobicContact CD1-CB 3.93Å; F477-W520 AromaticContact CD1-CD2 3.97Å; F477-W520 HydrophobicContact CD1-CD2 3.97Å; F477-W520 AromaticContact CD1-CE3 3.67Å; F477-W520 HydrophobicContact CD1-CE3 3.67Å; F477-W520 HydrophobicContact CD1-CG 4.13Å; F477-W520 HydrophobicContact CD1-CZ3 4.42Å; F477-W520 HydrophobicContact CE1-CB 4.15Å; F477-W520 HydrophobicContact CG-CB 4.33Å; F477-W520 HydrophobicContact CG-CD2 4.17Å; F477-W520 HydrophobicContact CG-CE3 4.22Å; F477-W520 HydrophobicContact CG-CG 4.25Å; F477-P525 HydrophobicContact CD1-CB 4.3Å; F477-P525 HydrophobicContact CE1-CB 4.29Å; F477-Q814 WeakPolarHBondContact O-CA 3.47Å; F477-V815 HydrophobicContact CB-CB 4.29Å; F477-V815 HydrophobicContact CD2-CB 4.28Å; F477-V815 HydrophobicContact CD2-CG1 4.42Å; F477-V815 PolarHBondContact N-O 3.42Å; F477-V815 PolarHBondContact O-N 3.47Å; F477-V817 HydrophobicContact CD2-CG2 3.91Å; F477-V817 HydrophobicContact CE2-CG2 3.48Å; F477-V817 VanDerWaalsContact CE2-CG2 3.48Å; F477-V817 HydrophobicContact CZ-CG2 4.35Å
478	S	94.3	Very high	91.2	Very high	36 Å²	36	48.9 Å²	48.9	25%	0.252	26%	0.264	S	S	.	.			trans	-162.3	147	179.5	60.9	0	0	0	0	111.3	S476	S476-S478 PolarHBondContact O-N 3.23Å
479	C	92.9	Very high	92.1	Very high	18 Å²	18	45.1 Å²	45.1	12%	0.122	24%	0.24	C	C	.	.			trans	-150.4	172.5	169.5	69.1	0	0	0	0	110.7	L481 T482 K483 W520 W527	C479-L481 PolarHBondContact O-N 3.1Å; C479-T482 PolarHBondContact N-OG1 2.85Å; C479-T482 PolarHBondContact O-N 3.24Å; C479-T482 PolarHBondContact O-OG1 3.24Å; C479-K483 PolarHBondContact O-N 3.1Å; C479-W520 HydrophobicContact CB-CH2 4.16Å; C479-W527 HydrophobicContact CB-CE3 3.87Å; C479-W527 HydrophobicContact CB-CZ3 3.87Å
480	D	91.9	Very high	92.7	Very high	145 Å²	145	45.2 Å²	45.2	78%	0.775	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-18.4	-177	-63.6	-44.5	0	0	0	114.3
481	L	91.4	Very high	93.2	Very high	71 Å²	71	41 Å²	41	37%	0.372	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-21.8	176.7	-62.2	175.2	0	0	0	113.9	C479 L516 W527 I531	C479-L481 PolarHBondContact O-N 3.1Å; L481-L516 HydrophobicContact CB-CD2 4.19Å; L481-W527 HydrophobicContact CD1-CH2 3.82Å; L481-W527 HydrophobicContact CD1-CZ2 4.01Å; L481-W527 HydrophobicContact CG-CH2 4.32Å; L481-I531 HydrophobicContact CD1-CD1 3.8Å
482	T	92.8	Very high	93.4	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.006	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-22.5	178.1	65.5	0	0	0	0	112.6	C479 G484 L485 Y504 L516 W520 G813	C479-T482 PolarHBondContact N-OG1 2.85Å; C479-T482 PolarHBondContact O-N 3.24Å; C479-T482 PolarHBondContact O-OG1 3.24Å; T482-G484 PolarHBondContact O-N 2.91Å; T482-L485 WeakPolarHBondContact O-CB 3.4Å; T482-L485 PolarHBondContact O-N 3.33Å; T482-Y504 HydrophobicContact CG2-CD1 4.32Å; T482-Y504 HydrophobicContact CG2-CD2 4.16Å; T482-Y504 HydrophobicContact CG2-CE1 3.79Å; T482-Y504 HydrophobicContact CG2-CE2 3.6Å; T482-Y504 HydrophobicContact CG2-CG 4.49Å; T482-L516 HydrophobicContact CG2-CD2 4.08Å; T482-W520 HydrophobicContact CG2-CZ2 4.04Å; T482-G813 WeakPolarHBondContact CB-O 3.46Å; T482-G813 PolarHBondContact OG1-O 3.44Å
483	K	90.6	Very high	93.7	Very high	142 Å²	142	38 Å²	38	62%	0.617	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	127.3	-174.6	-163.4	168.3	-171.8	168.6	0	113.2	C479 L485 D812	C479-K483 PolarHBondContact O-N 3.1Å; K483-L485 VanDerWaalsContact C-N 3.34Å; K483-D812 CarbonylContact C-O 3.48Å; K483-D812 VanDerWaalsContact CA-O 3.24Å; K483-D812 WeakPolarHBondContact CA-O 3.15Å
484	G	87.6	Confident	93.6	Very high	34 Å²	34	34.2 Å²	34.2	35%	0.351	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	9.9	-176	0	0	0	0	0	115.7	T482 H506 D812	T482-G484 PolarHBondContact O-N 2.91Å; G484-H506 PolarHBondContact O-ND1 3.48Å; G484-D812 PolarHBondContact N-O 3.28Å; G484-D812 PolarHBondContact N-OD1 2.95Å
485	L	90.8	Very high	93.6	Very high	30 Å²	30	38.4 Å²	38.4	16%	0.157	22%	0.215	C	C	.	.	S	Bend	trans	-110	119.4	171.2	-54.9	178.1	0	0	0	109.8	T482 K483 V487 H506 L516 G813	T482-L485 WeakPolarHBondContact O-CB 3.4Å; T482-L485 PolarHBondContact O-N 3.33Å; K483-L485 VanDerWaalsContact C-N 3.34Å; L485-V487 PolarHBondContact O-N 2.85Å; L485-H506 HydrophobicContact CD2-CB 4.06Å; L485-L516 HydrophobicContact CD1-CB 4.21Å; L485-G813 WeakPolarHBondContact O-CA 3.14Å; L485-G813 PolarHBondContact O-N 2.67Å
486	N	92.4	Very high	93.4	Very high	39 Å²	39	41.1 Å²	41.1	21%	0.209	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	134.3	178.6	-52.9	70.2	0	0	0	111.1	S488 Y504 G505 F507	N486-S488 PolarHBondContact O-N 3.39Å; N486-Y504 WeakPolarHBondContact O-CA 3.28Å; N486-G505 WeakPolarHBondContact CB-O 3.38Å; N486-G505 PolarHBondContact N-O 2.89Å; N486-G505 PolarHBondContact O-N 2.83Å; N486-F507 HydrophobicContact CB-CD2 4.07Å; N486-F507 HydrophobicContact CB-CE2 4.29Å
487	V	95.7	Very high	93.1	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.012	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	124.4	164.9	-179.4	0	0	0	0	108.3	L485 L490 V502 Y504 T795 T796 D810 V815	L485-V487 PolarHBondContact O-N 2.85Å; V487-L490 HydrophobicContact CG1-CD2 3.86Å; V487-L490 HydrophobicContact CG1-CG 4.2Å; V487-V502 HydrophobicContact CG1-CG1 3.9Å; V487-V502 HydrophobicContact CG2-CG1 4.41Å; V487-Y504 HydrophobicContact CG2-CD1 4Å; V487-Y504 HydrophobicContact CG2-CE1 3.71Å; V487-T795 WeakPolarHBondContact O-CB 3.34Å; V487-T795 PolarHBondContact O-OG1 3.48Å; V487-T796 WeakPolarHBondContact CG1-OG1 3.33Å; V487-D810 PolarHBondContact N-O 2.86Å; V487-V815 HydrophobicContact CG1-CG2 4.23Å; V487-V815 HydrophobicContact CG2-CG2 3.84Å
488	S	94.5	Very high	92.9	Very high	23 Å²	23	44 Å²	44	16%	0.161	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	-28.6	-177	71.3	0	0	0	0	113.7	N486 G503 V538 T539 T796	N486-S488 PolarHBondContact O-N 3.39Å; S488-G503 PolarHBondContact N-O 2.79Å; S488-G503 PolarHBondContact OG-O 3.23Å; S488-V538 VanDerWaalsContact CB-O 3.31Å; S488-V538 WeakPolarHBondContact CB-O 3.43Å; S488-V538 PolarHBondContact OG-O 3.29Å; S488-T539 PolarHBondContact OG-O 3Å; S488-T796 WeakPolarHBondContact O-CG2 3.39Å
489	S	95.9	Very high	92.9	Very high	22 Å²	22	42.9 Å²	42.9	15%	0.154	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	141.4	-171.5	-173.3	0	0	0	0	110.9	G503 V541	S489-G503 PolarHBondContact O-N 2.95Å; S489-V541 PolarHBondContact OG-N 3.22Å; S489-V541 VanDerWaalsContact OG-N 3.11Å
490	L	97.1	Very high	93.1	Very high	22 Å²	22	42 Å²	42	12%	0.115	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	131.5	178.8	-62.4	175.7	0	0	0	108.9	V487 V502 T796 L798 L807 V815	V487-L490 HydrophobicContact CG1-CD2 3.86Å; V487-L490 HydrophobicContact CG1-CG 4.2Å; L490-V502 HydrophobicContact CD2-CB 4.27Å; L490-V502 HydrophobicContact CD2-CG1 3.87Å; L490-V502 HydrophobicContact CD2-CG2 3.75Å; L490-T796 WeakPolarHBondContact CD1-OG1 3.41Å; L490-L798 HydrophobicContact CB-CB 3.97Å; L490-L798 HydrophobicContact CB-CD2 3.74Å; L490-L798 HydrophobicContact CD1-CB 4.02Å; L490-L807 HydrophobicContact CD1-CB 4.29Å; L490-V815 HydrophobicContact CD1-CG1 4.25Å; L490-V815 HydrophobicContact CD2-CG1 3.92Å; L490-V815 HydrophobicContact CD2-CG2 3.79Å
491	A	96.6	Very high	93.4	Very high	9 Å²	9	35.1 Å²	35.1	7%	0.074	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	117.1	174	0	0	0	0	0	111.9	A501 V541	A491-A501 HydrophobicContact CB-CB 4.49Å; A491-A501 PolarHBondContact N-O 3.04Å; A491-A501 PolarHBondContact O-N 3.1Å; A491-V541 HydrophobicContact CB-CG2 4.15Å; A491-V541 WeakPolarHBondContact CB-O 3.19Å
492	W	95.8	Very high	93.7	Very high	22 Å²	22	31.8 Å²	31.8	8%	0.083	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	139.1	166.7	-75.7	118.7	0	0	0	110.5	K494 P497 L500 I522 L798 L807	W492-K494 PolarHBondContact O-N 2.96Å; W492-P497 WeakPolarHBondContact CZ3-O 3.31Å; W492-L500 HydrophobicContact CD2-CD1 3.9Å; W492-L500 HydrophobicContact CE3-CB 3.89Å; W492-L500 HydrophobicContact CE3-CD1 4.08Å; W492-L500 HydrophobicContact CG-CD1 4.34Å; W492-L500 HydrophobicContact CH2-CB 4.14Å; W492-L500 HydrophobicContact CZ2-CD1 4.36Å; W492-L500 HydrophobicContact CZ3-CB 3.66Å; W492-L500 HydrophobicContact CZ3-CD1 4.38Å; W492-I522 HydrophobicContact CH2-CD1 3.75Å; W492-I522 HydrophobicContact CH2-CG1 4Å; W492-I522 HydrophobicContact CZ3-CD1 4.03Å; W492-I522 HydrophobicContact CZ3-CG1 4.2Å; W492-L798 VanDerWaalsContact CD1-CD2 3.4Å; W492-L798 HydrophobicContact CG-CD2 4.04Å; W492-L807 HydrophobicContact CH2-CD2 4.17Å; W492-L807 HydrophobicContact CZ2-CD1 3.8Å; W492-L807 HydrophobicContact CZ2-CD2 3.45Å; W492-L807 VanDerWaalsContact CZ2-CD2 3.45Å; W492-L807 HydrophobicContact CZ2-CG 4.29Å
493	N	95.4	Very high	93.8	Very high	9 Å²	9	31.7 Å²	31.7	5%	0.048	18%	0.177	C	C	.	.			trans	-61.5	132.5	168.1	-175	-67.1	0	0	0	109.7	T495 N496 L499 F543 P548	N493-T495 PolarHBondContact O-N 3.19Å; N493-T495 PolarHBondContact OD1-N 3.3Å; N493-N496 HydrophobicContact CB-CB 4.43Å; N493-N496 WeakPolarHBondContact CB-O 3.49Å; N493-N496 PolarHBondContact OD1-N 2.9Å; N493-L499 HydrophobicContact CB-CB 4.02Å; N493-L499 HydrophobicContact CB-CD2 4.23Å; N493-L499 WeakPolarHBondContact CB-O 3.4Å; N493-L499 PolarHBondContact N-O 2.89Å; N493-F543 HydrophobicContact CB-CD1 4.29Å; N493-F543 HydrophobicContact CB-CD2 3.73Å; N493-F543 HydrophobicContact CB-CE1 4.31Å; N493-F543 HydrophobicContact CB-CE2 3.73Å; N493-F543 HydrophobicContact CB-CG 3.99Å; N493-F543 HydrophobicContact CB-CZ 4.05Å; N493-F543 WeakPolarHBondContact ND2-CD1 3.47Å; N493-F543 VanDerWaalsContact ND2-CE1 3.27Å; N493-F543 WeakPolarHBondContact ND2-CE1 3.47Å; N493-P548 PolarHBondContact ND2-O 2.86Å
494	K	91.4	Very high	94.1	Very high	58 Å²	58	25 Å²	25	25%	0.252	15%	0.148	S	C	.	.	S	Bend	trans	-77.3	-11.1	-167.5	-63.1	173.5	-173.7	159.8	0	113.4	W492 D542 F543 I545 W592	W492-K494 PolarHBondContact O-N 2.96Å; K494-D542 WeakPolarHBondContact CE-OD1 3.35Å; K494-D542 VanDerWaalsContact NZ-CG 3.26Å; K494-D542 IonicContact NZ-OD1 3.8Å; K494-D542 PolarHBondContact NZ-OD1 2.89Å; K494-D542 VanDerWaalsContact NZ-OD1 3.11Å; K494-D542 IonicContact NZ-OD2 2.78Å; K494-D542 PolarHBondContact NZ-OD2 3.38Å; K494-F543 WeakPolarHBondContact CD-O 3.29Å; K494-F543 WeakPolarHBondContact CE-O 3.19Å; K494-F543 PolarHBondContact NZ-O 2.94Å; K494-I545 HydrophobicContact CB-CG1 4.26Å; K494-I545 HydrophobicContact CD-CD1 4.14Å; K494-I545 HydrophobicContact CD-CG1 3.36Å; K494-I545 HydrophobicContact CG-CG1 4.44Å; K494-W592 PolarHBondContact NZ-O 2.87Å
495	T	92.1	Very high	94.2	Very high	93 Å²	93	23.3 Å²	23.3	57%	0.571	13%	0.131	S	C	*	.	S	Bend	trans	-116.9	-36.3	176.9	-51.4	0	0	0	0	112.3	N493 P548	N493-T495 PolarHBondContact O-N 3.19Å; N493-T495 PolarHBondContact OD1-N 3.3Å; T495-P548 HydrophobicContact CG2-CG 4.33Å; T495-P548 WeakPolarHBondContact OG1-CG 3.49Å
496	N	91.8	Very high	93.9	Very high	67 Å²	67	24.8 Å²	24.8	36%	0.358	14%	0.137	S	C	.	.			trans	-106	102.8	178.6	-178.4	9.2	0	0	0	111.5	N493 D498 L499	N493-N496 HydrophobicContact CB-CB 4.43Å; N493-N496 WeakPolarHBondContact CB-O 3.49Å; N493-N496 PolarHBondContact OD1-N 2.9Å; N496-D498 PolarHBondContact O-N 2.84Å; N496-D498 VanDerWaalsContact O-N 3.16Å; N496-D498 WeakPolarHBondContact OD1-CB 3.37Å; N496-D498 PolarHBondContact OD1-N 3.06Å; N496-D498 VanDerWaalsContact OD1-N 3.13Å; N496-L499 PolarHBondContact O-N 2.83Å
497	P	88.6	Confident	93	Very high	45 Å²	45	26.4 Å²	26.4	29%	0.292	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-14	-178.2	31	-37.3	0	0	0	113.8	W492 L499	W492-P497 WeakPolarHBondContact CZ3-O 3.31Å; P497-L499 VanDerWaalsContact C-N 3.28Å; P497-L499 PolarHBondContact O-N 2.84Å
498	D	91	Very high	91.5	Very high	36 Å²	36	27.7 Å²	27.7	19%	0.193	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-10.1	178.1	-68.4	-27.9	0	0	0	113.6	N496 S521 I522 K523	N496-D498 PolarHBondContact O-N 2.84Å; N496-D498 VanDerWaalsContact O-N 3.16Å; N496-D498 WeakPolarHBondContact OD1-CB 3.37Å; N496-D498 PolarHBondContact OD1-N 3.06Å; N496-D498 VanDerWaalsContact OD1-N 3.13Å; D498-S521 CarbonylContact O-C 3.56Å; D498-S521 VanDerWaalsContact O-CA 3.26Å; D498-S521 WeakPolarHBondContact O-CA 3.36Å; D498-I522 PolarHBondContact O-N 3.08Å; D498-K523 WeakPolarHBondContact OD2-CE 3.31Å; D498-K523 IonicContact OD2-NZ 3.99Å; D498-K523 PolarHBondContact OD2-NZ 2.85Å
499	L	94.4	Very high	89.7	Confident	12 Å²	12	37.2 Å²	37.2	6%	0.063	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	116	-166.8	-168.9	77.4	0	0	0	112.7	N493 N496 P497 C519 F543 V565	N493-L499 HydrophobicContact CB-CB 4.02Å; N493-L499 HydrophobicContact CB-CD2 4.23Å; N493-L499 WeakPolarHBondContact CB-O 3.4Å; N493-L499 PolarHBondContact N-O 2.89Å; N496-L499 PolarHBondContact O-N 2.83Å; P497-L499 VanDerWaalsContact C-N 3.28Å; P497-L499 PolarHBondContact O-N 2.84Å; L499-C519 HydrophobicContact CD1-CB 4.09Å; L499-F543 HydrophobicContact CD2-CE1 3.98Å; L499-F543 HydrophobicContact CD2-CZ 3.63Å; L499-F543 HydrophobicContact CG-CZ 4.12Å; L499-V565 HydrophobicContact CD2-CG1 4.26Å
500	L	96.8	Very high	88	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	124.1	179.8	-179.5	71.5	0	0	0	110.6	F477 W492 V502 C519 W520 L798 L807 V815	F477-L500 HydrophobicContact CD2-CD2 4.12Å; F477-L500 HydrophobicContact CE2-CD2 4.05Å; W492-L500 HydrophobicContact CD2-CD1 3.9Å; W492-L500 HydrophobicContact CE3-CB 3.89Å; W492-L500 HydrophobicContact CE3-CD1 4.08Å; W492-L500 HydrophobicContact CG-CD1 4.34Å; W492-L500 HydrophobicContact CH2-CB 4.14Å; W492-L500 HydrophobicContact CZ2-CD1 4.36Å; W492-L500 HydrophobicContact CZ3-CB 3.66Å; W492-L500 HydrophobicContact CZ3-CD1 4.38Å; L500-V502 HydrophobicContact CD2-CG2 3.59Å; L500-V502 HydrophobicContact CG-CG2 3.78Å; L500-C519 CarbonylContact O-C 3.52Å; L500-C519 WeakPolarHBondContact O-CA 3.23Å; L500-W520 HydrophobicContact CB-CB 4.41Å; L500-W520 PolarHBondContact N-O 3.06Å; L500-W520 PolarHBondContact O-N 3.1Å; L500-L798 HydrophobicContact CD1-CD2 4.04Å; L500-L807 HydrophobicContact CD1-CD2 3.92Å; L500-L807 HydrophobicContact CD2-CD2 3.56Å; L500-L807 HydrophobicContact CG-CD2 4.37Å; L500-V815 HydrophobicContact CD2-CG1 4.33Å
501	A	97.5	Very high	86.2	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	132.4	163.4	0	0	0	0	0	109.9	A491 C518 V541 F543 L551	A491-A501 HydrophobicContact CB-CB 4.49Å; A491-A501 PolarHBondContact N-O 3.04Å; A491-A501 PolarHBondContact O-N 3.1Å; A501-C518 WeakPolarHBondContact CA-O 3.26Å; A501-V541 HydrophobicContact CB-CB 4.34Å; A501-V541 HydrophobicContact CB-CG2 4.01Å; A501-F543 HydrophobicContact CB-CD2 4.1Å; A501-F543 HydrophobicContact CB-CE2 3.43Å; A501-F543 VanDerWaalsContact CB-CE2 3.43Å; A501-F543 HydrophobicContact CB-CZ 3.99Å; A501-L551 HydrophobicContact CB-CD1 3.56Å; A501-L551 HydrophobicContact CB-CD2 4.25Å
502	V	97.8	Very high	84.4	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.006	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	123.4	175.2	-174.4	0	0	0	0	109	V487 L490 L500 Y504 A517 C518 V815	V487-V502 HydrophobicContact CG1-CG1 3.9Å; V487-V502 HydrophobicContact CG2-CG1 4.41Å; L490-V502 HydrophobicContact CD2-CB 4.27Å; L490-V502 HydrophobicContact CD2-CG1 3.87Å; L490-V502 HydrophobicContact CD2-CG2 3.75Å; L500-V502 HydrophobicContact CD2-CG2 3.59Å; L500-V502 HydrophobicContact CG-CG2 3.78Å; V502-Y504 HydrophobicContact CB-CD2 4.46Å; V502-Y504 HydrophobicContact CB-CE2 3.71Å; V502-Y504 HydrophobicContact CG1-CD1 4.34Å; V502-Y504 HydrophobicContact CG1-CD2 4.03Å; V502-Y504 HydrophobicContact CG1-CE1 3.8Å; V502-Y504 HydrophobicContact CG1-CE2 3.44Å; V502-Y504 VanDerWaalsContact CG1-CE2 3.44Å; V502-Y504 HydrophobicContact CG1-CG 4.44Å; V502-A517 WeakPolarHBondContact O-CA 3.4Å; V502-C518 PolarHBondContact N-O 2.74Å; V502-C518 PolarHBondContact O-N 2.86Å; V502-V815 HydrophobicContact CG1-CG2 3.82Å; V502-V815 HydrophobicContact CG2-CG2 4.03Å
503	G	96.6	Very high	82.9	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	131.8	168.9	0	0	0	0	0	110.8	S488 S489	S488-G503 PolarHBondContact N-O 2.79Å; S488-G503 PolarHBondContact OG-O 3.23Å; S489-G503 PolarHBondContact O-N 2.95Å
504	Y	95.6	Very high	82.3	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	138.8	174	-55.4	-92.6	0	0	0	110.8	T482 N486 V487 V502 G515 L516 C518 W520 V538 G813	T482-Y504 HydrophobicContact CG2-CD1 4.32Å; T482-Y504 HydrophobicContact CG2-CD2 4.16Å; T482-Y504 HydrophobicContact CG2-CE1 3.79Å; T482-Y504 HydrophobicContact CG2-CE2 3.6Å; T482-Y504 HydrophobicContact CG2-CG 4.49Å; N486-Y504 WeakPolarHBondContact O-CA 3.28Å; V487-Y504 HydrophobicContact CG2-CD1 4Å; V487-Y504 HydrophobicContact CG2-CE1 3.71Å; V502-Y504 HydrophobicContact CB-CD2 4.46Å; V502-Y504 HydrophobicContact CB-CE2 3.71Å; V502-Y504 HydrophobicContact CG1-CD1 4.34Å; V502-Y504 HydrophobicContact CG1-CD2 4.03Å; V502-Y504 HydrophobicContact CG1-CE1 3.8Å; V502-Y504 HydrophobicContact CG1-CE2 3.44Å; V502-Y504 VanDerWaalsContact CG1-CE2 3.44Å; V502-Y504 HydrophobicContact CG1-CG 4.44Å; Y504-G515 WeakPolarHBondContact O-CA 3.39Å; Y504-L516 HydrophobicContact CD2-CB 4.19Å; Y504-L516 PolarHBondContact N-O 3.49Å; Y504-L516 PolarHBondContact O-N 2.8Å; Y504-C518 HydrophobicContact CE2-CB 3.99Å; Y504-W520 AromaticContact CZ-NE1 3.93Å; Y504-W520 PolarHBondContact OH-NE1 2.94Å; Y504-V538 WeakPolarHBondContact O-CB 3.33Å; Y504-V538 PolarHBondContact O-N 2.96Å; Y504-G813 WeakPolarHBondContact CE1-O 3.45Å
505	G	90.8	Very high	82.2	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	140.9	176.6	0	0	0	0	0	112.1	N486 F507	N486-G505 WeakPolarHBondContact CB-O 3.38Å; N486-G505 PolarHBondContact N-O 2.89Å; N486-G505 PolarHBondContact O-N 2.83Å; G505-F507 VanDerWaalsContact O-CD2 3.32Å; G505-F507 WeakPolarHBondContact O-CD2 3.49Å; G505-F507 VanDerWaalsContact O-CE2 3.3Å; G505-F507 WeakPolarHBondContact O-CE2 3.32Å; G505-F507 PolarHBondContact O-N 2.67Å
506	H	83.7	Confident	82.3	Confident	60 Å²	60	62.5 Å²	62.5	28%	0.278	29%	0.291	S	S	.	.			trans	-88.8	103.9	174.1	-167.3	86.1	0	0	0	110	G484 L485 G508 E511 K513	G484-H506 PolarHBondContact O-ND1 3.48Å; L485-H506 HydrophobicContact CD2-CB 4.06Å; H506-G508 VanDerWaalsContact C-N 3.34Å; H506-G508 PolarHBondContact O-N 3.1Å; H506-E511 PolarHBondContact CD2-O 2.83Å; H506-K513 HydrophobicContact CB-CB 4.26Å
507	F	74.1	Confident	82.5	Confident	74 Å²	74	59.4 Å²	59.4	33%	0.325	27%	0.274	S	S	.	.			trans	-93.9	22	-173.9	-54.8	-63.4	0	0	0	114.3	N486 G505 F509 V538 T539	N486-F507 HydrophobicContact CB-CD2 4.07Å; N486-F507 HydrophobicContact CB-CE2 4.29Å; G505-F507 VanDerWaalsContact O-CD2 3.32Å; G505-F507 WeakPolarHBondContact O-CD2 3.49Å; G505-F507 VanDerWaalsContact O-CE2 3.3Å; G505-F507 WeakPolarHBondContact O-CE2 3.32Å; G505-F507 PolarHBondContact O-N 2.67Å; F507-F509 PolarHBondContact O-N 2.91Å; F507-V538 WeakPolarHBondContact CZ-O 3.29Å; F507-T539 HydrophobicContact CE1-CG2 3.68Å; F507-T539 HydrophobicContact CZ-CG2 4.08Å
508	G	64.1	Low	82.9	Confident	28 Å²	28	57.3 Å²	57.3	29%	0.289	26%	0.261	S	S	.	.			trans	-63.2	123.1	179	0	0	0	0	0	112.8	H506 K510 E511	H506-G508 VanDerWaalsContact C-N 3.34Å; H506-G508 PolarHBondContact O-N 3.1Å; G508-K510 PolarHBondContact O-N 2.9Å; G508-E511 CarbonylContact O-C 3.52Å; G508-E511 PolarHBondContact O-N 2.93Å
509	F	56.8	Low	83.1	Confident	223 Å²	223	55.6 Å²	55.6	98%	0.978	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-12.8	-178.5	-121.8	-80.5	0	0	0	115.9	F507	F507-F509 PolarHBondContact O-N 2.91Å
510	K	58.9	Low	83.2	Confident	206 Å²	206	55 Å²	55	90%	0.896	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.5	-17.3	-178.5	-65.4	-179.2	179.3	176.8	0	113.9	G508	G508-K510 PolarHBondContact O-N 2.9Å
511	E	60	Low	83.1	Confident	101 Å²	101	55.2 Å²	55.2	47%	0.472	25%	0.25	S	C	.	.			trans	-146.1	93.2	-174.1	-66.1	-162.9	119.5	0	0	110.7	H506 G508 K513	H506-E511 PolarHBondContact CD2-O 2.83Å; G508-E511 CarbonylContact O-C 3.52Å; G508-E511 PolarHBondContact O-N 2.93Å; E511-K513 HydrophobicContact CB-CD 4.19Å; E511-K513 HydrophobicContact CB-CG 4.37Å; E511-K513 VanDerWaalsContact CD-CE 3.46Å; E511-K513 PolarHBondContact O-N 3.31Å; E511-K513 VanDerWaalsContact OE1-CE 3.27Å; E511-K513 WeakPolarHBondContact OE1-CE 3.22Å; E511-K513 IonicContact OE1-NZ 2.98Å; E511-K513 PolarHBondContact OE1-NZ 2.95Å; E511-K513 WeakPolarHBondContact OE2-CE 3.47Å; E511-K513 IonicContact OE2-NZ 2.73Å; E511-K513 PolarHBondContact OE2-NZ 2.97Å
512	Q	60	Low	82.9	Confident	157 Å²	157	55.4 Å²	55.4	73%	0.734	25%	0.251	S	S	*	.			trans	-69.6	112.2	165.1	-74.9	178	-17.9	0	0	108.6	H556	Q512-H556 PolarHBondContact NE2-CD2 3.3Å; Q512-H556 VanDerWaalsContact NE2-CD2 3.3Å; Q512-H556 PolarHBondContact NE2-NE2 3.39Å
513	K	63.9	Low	82.6	Confident	102 Å²	102	58.8 Å²	58.8	44%	0.443	27%	0.265	S	S	.	.			trans	-125.5	173.6	-178.4	-80.6	175.9	177.6	169.4	0	111.6	H506 E511	H506-K513 HydrophobicContact CB-CB 4.26Å; E511-K513 HydrophobicContact CB-CD 4.19Å; E511-K513 HydrophobicContact CB-CG 4.37Å; E511-K513 VanDerWaalsContact CD-CE 3.46Å; E511-K513 PolarHBondContact O-N 3.31Å; E511-K513 VanDerWaalsContact OE1-CE 3.27Å; E511-K513 WeakPolarHBondContact OE1-CE 3.22Å; E511-K513 IonicContact OE1-NZ 2.98Å; E511-K513 PolarHBondContact OE1-NZ 2.95Å; E511-K513 WeakPolarHBondContact OE2-CE 3.47Å; E511-K513 IonicContact OE2-NZ 2.73Å; E511-K513 PolarHBondContact OE2-NZ 2.97Å
514	R	82.8	Confident	82.4	Confident	191 Å²	191	59 Å²	59	72%	0.721	27%	0.267	S	S	*	.			trans	-48.9	146.1	-168.8	-62.2	174.2	-178.4	172.2	-1.4	112.8	S534	R514-S534 WeakPolarHBondContact CA-O 3.26Å
515	G	89.4	Confident	82.2	Confident	2 Å²	2	59 Å²	59	2%	0.021	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	157.6	169.8	0	0	0	0	0	112	Y504 S534 Y536	Y504-G515 WeakPolarHBondContact O-CA 3.39Å; G515-S534 PolarHBondContact N-O 2.88Å; G515-S534 PolarHBondContact O-N 3.27Å; G515-Y536 VanDerWaalsContact CA-O 3.28Å; G515-Y536 WeakPolarHBondContact CA-O 3.48Å; G515-Y536 PolarHBondContact N-O 2.85Å
516	L	94.1	Very high	82.3	Confident	8 Å²	8	63.4 Å²	63.4	4%	0.042	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	133.2	176.9	-157.4	68.3	0	0	0	108.2	L481 T482 L485 Y504 C518 I531 Y532 Q533	L481-L516 HydrophobicContact CB-CD2 4.19Å; T482-L516 HydrophobicContact CG2-CD2 4.08Å; L485-L516 HydrophobicContact CD1-CB 4.21Å; Y504-L516 HydrophobicContact CD2-CB 4.19Å; Y504-L516 PolarHBondContact N-O 3.49Å; Y504-L516 PolarHBondContact O-N 2.8Å; L516-C518 VanDerWaalsContact CD2-SG 3.58Å; L516-I531 HydrophobicContact CD1-CG2 3.52Å; L516-I531 HydrophobicContact CD2-CG2 4.34Å; L516-I531 HydrophobicContact CG-CG2 4.07Å; L516-Y532 WeakPolarHBondContact CA-O 3.19Å; L516-Q533 HydrophobicContact CD1-CB 4.36Å; L516-Q533 HydrophobicContact CD1-CG 3.59Å
517	A	95.9	Very high	82.8	Confident	1 Å²	1	65.9 Å²	65.9	1%	0.008	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	118.6	164.1	0	0	0	0	0	108.1	V502 Y532 V538 V541 V553	V502-A517 WeakPolarHBondContact O-CA 3.4Å; A517-Y532 HydrophobicContact CB-CD2 4.24Å; A517-Y532 PolarHBondContact N-O 2.98Å; A517-Y532 WeakPolarHBondContact O-CD2 3.46Å; A517-Y532 PolarHBondContact O-N 3.49Å; A517-V538 HydrophobicContact CB-CG2 4.16Å; A517-V541 HydrophobicContact CB-CG1 4.5Å; A517-V553 HydrophobicContact CB-CG1 4.17Å; A517-V553 HydrophobicContact CB-CG2 4.12Å
518	C	95.9	Very high	83.7	Confident	1 Å²	1	62.5 Å²	62.5	1%	0.007	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	143.4	178.3	-65.2	0	0	0	0	110.6	A501 V502 Y504 L516 P528 R530	A501-C518 WeakPolarHBondContact CA-O 3.26Å; V502-C518 PolarHBondContact N-O 2.74Å; V502-C518 PolarHBondContact O-N 2.86Å; Y504-C518 HydrophobicContact CE2-CB 3.99Å; L516-C518 VanDerWaalsContact CD2-SG 3.58Å; C518-P528 HydrophobicContact CB-CB 3.82Å; C518-P528 HydrophobicContact CB-CG 4.36Å; C518-R530 CarbonylContact C-O 3.56Å; C518-R530 VanDerWaalsContact CA-O 3.29Å; C518-R530 WeakPolarHBondContact CA-O 3.39Å
519	C	96.3	Very high	85	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	107.4	161.5	-57.6	0	0	0	0	108	L499 L500 P528 E529 R530 V565	L499-C519 HydrophobicContact CD1-CB 4.09Å; L500-C519 CarbonylContact O-C 3.52Å; L500-C519 WeakPolarHBondContact O-CA 3.23Å; C519-P528 CarbonylContact O-C 3.56Å; C519-E529 PolarHBondContact O-N 2.98Å; C519-R530 HydrophobicContact CB-CB 3.99Å; C519-R530 HydrophobicContact CB-CG 4.45Å; C519-R530 PolarHBondContact N-O 3.4Å; C519-R530 PolarHBondContact O-N 3.28Å; C519-V565 HydrophobicContact CB-CG1 4.36Å
520	W	96.1	Very high	86.8	Confident	0 Å²	0	55 Å²	55	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	148.8	174.7	-67.2	93.2	0	0	0	110.5	F477 C479 T482 L500 Y504 P525 P528	F477-W520 HydrophobicContact CB-CD2 3.78Å; F477-W520 HydrophobicContact CB-CE3 3.91Å; F477-W520 HydrophobicContact CB-CG 4.19Å; F477-W520 HydrophobicContact CB-CH2 4.41Å; F477-W520 HydrophobicContact CB-CZ2 4.29Å; F477-W520 HydrophobicContact CB-CZ3 4.22Å; F477-W520 HydrophobicContact CD1-CB 3.93Å; F477-W520 AromaticContact CD1-CD2 3.97Å; F477-W520 HydrophobicContact CD1-CD2 3.97Å; F477-W520 AromaticContact CD1-CE3 3.67Å; F477-W520 HydrophobicContact CD1-CE3 3.67Å; F477-W520 HydrophobicContact CD1-CG 4.13Å; F477-W520 HydrophobicContact CD1-CZ3 4.42Å; F477-W520 HydrophobicContact CE1-CB 4.15Å; F477-W520 HydrophobicContact CG-CB 4.33Å; F477-W520 HydrophobicContact CG-CD2 4.17Å; F477-W520 HydrophobicContact CG-CE3 4.22Å; F477-W520 HydrophobicContact CG-CG 4.25Å; C479-W520 HydrophobicContact CB-CH2 4.16Å; T482-W520 HydrophobicContact CG2-CZ2 4.04Å; L500-W520 HydrophobicContact CB-CB 4.41Å; L500-W520 PolarHBondContact N-O 3.06Å; L500-W520 PolarHBondContact O-N 3.1Å; Y504-W520 AromaticContact CZ-NE1 3.93Å; Y504-W520 PolarHBondContact OH-NE1 2.94Å; W520-P525 WeakPolarHBondContact CZ3-O 3.45Å; W520-P528 HydrophobicContact CD2-CB 3.82Å; W520-P528 HydrophobicContact CE3-CB 4.01Å; W520-P528 HydrophobicContact CG-CB 4.27Å; W520-P528 HydrophobicContact CH2-CB 4.49Å; W520-P528 HydrophobicContact CH2-CG 4.32Å; W520-P528 HydrophobicContact CZ2-CB 4.32Å; W520-P528 HydrophobicContact CZ2-CG 4.3Å; W520-P528 HydrophobicContact CZ3-CB 4.35Å; W520-P528 HydrophobicContact CZ3-CG 4.48Å
521	S	94.3	Very high	88.5	Confident	4 Å²	4	46.6 Å²	46.6	3%	0.028	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	139	173.5	-174.9	0	0	0	0	110.3	D498 K523 N524	D498-S521 CarbonylContact O-C 3.56Å; D498-S521 VanDerWaalsContact O-CA 3.26Å; D498-S521 WeakPolarHBondContact O-CA 3.36Å; S521-K523 PolarHBondContact O-N 3.32Å; S521-K523 VanDerWaalsContact O-N 3.08Å; S521-K523 PolarHBondContact OG-N 2.9Å; S521-N524 CarbonylContact O-C 3.56Å; S521-N524 PolarHBondContact O-N 2.97Å
522	I	92.9	Very high	90.2	Very high	4 Å²	4	42 Å²	42	2%	0.021	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-25.2	172.4	-59	-179.6	0	0	0	111.2	L419 Y422 W475 W492 D498 N524	L419-I522 HydrophobicContact CD2-CG2 3.5Å; Y422-I522 HydrophobicContact CD1-CD1 4.49Å; Y422-I522 HydrophobicContact CE1-CD1 3.58Å; Y422-I522 WeakPolarHBondContact OH-CD1 3.33Å; W475-I522 HydrophobicContact CH2-CG2 4.15Å; W475-I522 HydrophobicContact CZ2-CG2 4.12Å; W492-I522 HydrophobicContact CH2-CD1 3.75Å; W492-I522 HydrophobicContact CH2-CG1 4Å; W492-I522 HydrophobicContact CZ3-CD1 4.03Å; W492-I522 HydrophobicContact CZ3-CG1 4.2Å; D498-I522 PolarHBondContact O-N 3.08Å; I522-N524 VanDerWaalsContact C-N 3.3Å; I522-N524 PolarHBondContact O-N 3.22Å
523	K	91.9	Very high	91.8	Very high	72 Å²	72	39.9 Å²	39.9	31%	0.313	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-12.3	177.6	-56.7	-179.3	-177.7	162.3	0	114.4	R408 D498 S521	R408-K523 HydrophobicContact CG-CB 4.28Å; D498-K523 WeakPolarHBondContact OD2-CE 3.31Å; D498-K523 IonicContact OD2-NZ 3.99Å; D498-K523 PolarHBondContact OD2-NZ 2.85Å; S521-K523 PolarHBondContact O-N 3.32Å; S521-K523 VanDerWaalsContact O-N 3.08Å; S521-K523 PolarHBondContact OG-N 2.9Å
524	N	92.1	Very high	93	Very high	5 Å²	5	35.5 Å²	35.5	3%	0.027	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-147.4	91.1	170.3	-174.5	-7.1	0	0	0	109.3	E407 S521 I522 M526 W527	E407-N524 VanDerWaalsContact CD-ND2 3.29Å; E407-N524 PolarHBondContact OE1-ND2 2.92Å; S521-N524 CarbonylContact O-C 3.56Å; S521-N524 PolarHBondContact O-N 2.97Å; I522-N524 VanDerWaalsContact C-N 3.3Å; I522-N524 PolarHBondContact O-N 3.22Å; N524-M526 PolarHBondContact O-N 3.49Å; N524-M526 PolarHBondContact OD1-N 2.73Å; N524-W527 PolarHBondContact OD1-N 2.73Å; N524-W527 VanDerWaalsContact OD1-N 3.1Å
525	P	92.2	Very high	93.3	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.006	15%	0.151	C	C	.	.	S	Bend	trans	-66.1	-20	176.6	-24.8	36.8	0	0	0	114.7	F415 W475 F477 W520	F415-P525 HydrophobicContact CD1-CG 4.26Å; F415-P525 HydrophobicContact CD2-CG 4.01Å; F415-P525 HydrophobicContact CE1-CB 4.35Å; F415-P525 HydrophobicContact CE1-CG 4.35Å; F415-P525 HydrophobicContact CE2-CB 4.29Å; F415-P525 HydrophobicContact CE2-CG 4.12Å; F415-P525 HydrophobicContact CG-CG 4.09Å; F415-P525 HydrophobicContact CZ-CB 4.13Å; F415-P525 HydrophobicContact CZ-CG 4.29Å; W475-P525 HydrophobicContact CG-CB 4.23Å; W475-P525 HydrophobicContact CG-CG 4.47Å; F477-P525 HydrophobicContact CD1-CB 4.3Å; F477-P525 HydrophobicContact CE1-CB 4.29Å; W520-P525 WeakPolarHBondContact CZ3-O 3.45Å
526	M	92.6	Very high	93.4	Very high	91 Å²	91	36.5 Å²	36.5	45%	0.448	17%	0.172	S	C	.	.	S	Bend	trans	-91.4	-26.1	-170.2	-64.5	-57.2	-56.8	0	0	113.7	M411 F415 N524	M411-M526 HydrophobicContact CE-CB 4.42Å; M411-M526 HydrophobicContact CE-CG 4.38Å; M411-M526 HydrophobicContact SD-CB 4.24Å; M411-M526 HydrophobicContact SD-CG 3.84Å; F415-M526 HydrophobicContact CE2-CG 3.95Å; F415-M526 HydrophobicContact CE2-SD 4.38Å; F415-M526 HydrophobicContact CZ-CG 4.1Å; F415-M526 HydrophobicContact CZ-SD 3.93Å; N524-M526 PolarHBondContact O-N 3.49Å; N524-M526 PolarHBondContact OD1-N 2.73Å
527	W	93.7	Very high	93.4	Very high	112 Å²	112	36.5 Å²	36.5	42%	0.424	17%	0.173	S	C	.	.	S	Bend	trans	-139.1	134.7	178.3	-161	-99.1	0	0	0	113.1	C479 L481 N524 I531	C479-W527 HydrophobicContact CB-CE3 3.87Å; C479-W527 HydrophobicContact CB-CZ3 3.87Å; L481-W527 HydrophobicContact CD1-CH2 3.82Å; L481-W527 HydrophobicContact CD1-CZ2 4.01Å; L481-W527 HydrophobicContact CG-CH2 4.32Å; N524-W527 PolarHBondContact OD1-N 2.73Å; N524-W527 VanDerWaalsContact OD1-N 3.1Å; W527-I531 HydrophobicContact CZ2-CD1 4.08Å
528	P	94.3	Very high	93.3	Very high	4 Å²	4	36.4 Å²	36.4	3%	0.026	17%	0.173	C	C	.	.			trans	-73.5	139.1	179.6	30.1	-34.8	0	0	0	112	C518 C519 W520 R530 I531	C518-P528 HydrophobicContact CB-CB 3.82Å; C518-P528 HydrophobicContact CB-CG 4.36Å; C519-P528 CarbonylContact O-C 3.56Å; W520-P528 HydrophobicContact CD2-CB 3.82Å; W520-P528 HydrophobicContact CE3-CB 4.01Å; W520-P528 HydrophobicContact CG-CB 4.27Å; W520-P528 HydrophobicContact CH2-CB 4.49Å; W520-P528 HydrophobicContact CH2-CG 4.32Å; W520-P528 HydrophobicContact CZ2-CB 4.32Å; W520-P528 HydrophobicContact CZ2-CG 4.3Å; W520-P528 HydrophobicContact CZ3-CB 4.35Å; W520-P528 HydrophobicContact CZ3-CG 4.48Å; P528-R530 VanDerWaalsContact C-N 3.34Å; P528-R530 PolarHBondContact O-N 3.03Å; P528-I531 HydrophobicContact CB-CG1 4.31Å; P528-I531 HydrophobicContact CG-CD1 3.78Å; P528-I531 HydrophobicContact CG-CG1 3.63Å
529	E	92.1	Very high	93.3	Very high	46 Å²	46	36.6 Å²	36.6	22%	0.215	17%	0.174	C	C	.	.	S	Bend	trans	-69.3	-27.8	179.7	176.4	163.4	-146.9	0	0	112.8	F404 R408 C519	F404-E529 HydrophobicContact CZ-CG 4Å; R408-E529 IonicContact CZ-OE1 3.24Å; R408-E529 IonicContact NH1-OE1 3.85Å; R408-E529 PolarHBondContact NH1-OE1 3.44Å; R408-E529 IonicContact NH2-OE1 3Å; R408-E529 PolarHBondContact NH2-OE1 3.21Å; R408-E529 IonicContact NH2-OE2 2.77Å; R408-E529 PolarHBondContact NH2-OE2 3.09Å; C519-E529 PolarHBondContact O-N 2.98Å
530	R	93.7	Very high	93.3	Very high	48 Å²	48	36.7 Å²	36.7	18%	0.181	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	148.3	170.7	-59.4	-67.1	179.5	-98.7	4.6	111.2	C518 C519 P528 Y532 V565 N568	C518-R530 CarbonylContact C-O 3.56Å; C518-R530 VanDerWaalsContact CA-O 3.29Å; C518-R530 WeakPolarHBondContact CA-O 3.39Å; C519-R530 HydrophobicContact CB-CB 3.99Å; C519-R530 HydrophobicContact CB-CG 4.45Å; C519-R530 PolarHBondContact N-O 3.4Å; C519-R530 PolarHBondContact O-N 3.28Å; P528-R530 VanDerWaalsContact C-N 3.34Å; P528-R530 PolarHBondContact O-N 3.03Å; R530-Y532 HydrophobicContact CB-CE2 4Å; R530-Y532 WeakPolarHBondContact CB-OH 3.4Å; R530-V565 HydrophobicContact CG-CG1 3.89Å; R530-V565 PolarHBondContact NE-O 2.88Å; R530-N568 PolarHBondContact NE-OD1 3.02Å; R530-N568 PolarHBondContact NH2-OD1 3.17Å
531	I	94.7	Very high	93.4	Very high	29 Å²	29	37 Å²	37	15%	0.149	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	110.4	-177.3	-52.4	178.4	0	0	0	109.6	L481 L516 W527 P528 Q533 N570	L481-I531 HydrophobicContact CD1-CD1 3.8Å; L516-I531 HydrophobicContact CD1-CG2 3.52Å; L516-I531 HydrophobicContact CD2-CG2 4.34Å; L516-I531 HydrophobicContact CG-CG2 4.07Å; W527-I531 HydrophobicContact CZ2-CD1 4.08Å; P528-I531 HydrophobicContact CB-CG1 4.31Å; P528-I531 HydrophobicContact CG-CD1 3.78Å; P528-I531 HydrophobicContact CG-CG1 3.63Å; I531-Q533 HydrophobicContact CG2-CG 4.35Å; I531-N570 PolarHBondContact O-OD1 2.93Å
532	Y	94.8	Very high	93.6	Very high	3 Å²	3	37.4 Å²	37.4	1%	0.012	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	108.3	175.3	-48.8	-69.3	0	0	0	110	L516 A517 R530 L551 Y563 V565	L516-Y532 WeakPolarHBondContact CA-O 3.19Å; A517-Y532 HydrophobicContact CB-CD2 4.24Å; A517-Y532 PolarHBondContact N-O 2.98Å; A517-Y532 WeakPolarHBondContact O-CD2 3.46Å; A517-Y532 PolarHBondContact O-N 3.49Å; R530-Y532 HydrophobicContact CB-CE2 4Å; R530-Y532 WeakPolarHBondContact CB-OH 3.4Å; Y532-L551 HydrophobicContact CD2-CD2 4.38Å; Y532-L551 HydrophobicContact CE2-CD2 4.09Å; Y532-Y563 AromaticContact CD1-CD1 3.25Å; Y532-Y563 HydrophobicContact CD1-CD1 3.25Å; Y532-Y563 AromaticContact CD1-CE1 3.61Å; Y532-Y563 HydrophobicContact CD1-CE1 3.61Å; Y532-Y563 AromaticContact CD1-CG 3.87Å; Y532-Y563 HydrophobicContact CD1-CG 3.87Å; Y532-Y563 HydrophobicContact CD2-CD1 4.42Å; Y532-Y563 HydrophobicContact CD2-CG 4.24Å; Y532-Y563 AromaticContact CE1-CD1 3.64Å; Y532-Y563 HydrophobicContact CE1-CD1 3.64Å; Y532-Y563 HydrophobicContact CE1-CE1 4.42Å; Y532-Y563 HydrophobicContact CE1-CG 4.09Å; Y532-Y563 HydrophobicContact CE2-CG 4.45Å; Y532-Y563 AromaticContact CG-CD1 3.7Å; Y532-Y563 HydrophobicContact CG-CD1 3.7Å; Y532-Y563 HydrophobicContact CG-CD2 4.4Å; Y532-Y563 AromaticContact CG-CE1 3.91Å; Y532-Y563 HydrophobicContact CG-CE1 3.91Å; Y532-Y563 AromaticContact CG-CG 3.95Å; Y532-Y563 HydrophobicContact CG-CG 3.95Å; Y532-V565 WeakPolarHBondContact OH-CA 3.15Å
533	Q	93.3	Very high	93.7	Very high	113 Å²	113	37.2 Å²	37.2	53%	0.528	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	134.6	177.4	-64.7	-176.4	5.8	0	0	110.7	L516 I531	L516-Q533 HydrophobicContact CD1-CB 4.36Å; L516-Q533 HydrophobicContact CD1-CG 3.59Å; I531-Q533 HydrophobicContact CG2-CG 4.35Å
534	S	90.6	Very high	93.9	Very high	11 Å²	11	34 Å²	34	8%	0.077	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	144	177.2	178.5	0	0	0	0	111.6	R514 G515 Y536 Y555	R514-S534 WeakPolarHBondContact CA-O 3.26Å; G515-S534 PolarHBondContact N-O 2.88Å; G515-S534 PolarHBondContact O-N 3.27Å; S534-Y536 WeakPolarHBondContact CB-O 3.05Å; S534-Y536 PolarHBondContact O-N 2.95Å; S534-Y536 PolarHBondContact OG-N 3.31Å; S534-Y536 VanDerWaalsContact OG-N 3.14Å; S534-Y536 PolarHBondContact OG-O 2.96Å; S534-Y536 VanDerWaalsContact OG-O 3.1Å; S534-Y555 WeakPolarHBondContact OG-CD1 3.34Å; S534-Y555 WeakPolarHBondContact OG-CE1 3.12Å
535	P	89.3	Confident	93.7	Very high	98 Å²	98	37.2 Å²	37.2	64%	0.636	18%	0.18	S	C	*	.	S	Bend	trans	-64.5	-19.1	169.4	27.2	-33.9	0	0	0	113
536	Y	91.4	Very high	93.5	Very high	116 Å²	116	40.4 Å²	40.4	46%	0.455	21%	0.213	S	C	.	.	S	Bend	trans	-110.8	140	-179.8	-50.1	-71.8	0	0	0	111.2	G515 S534 V538 Y555 N557	G515-Y536 VanDerWaalsContact CA-O 3.28Å; G515-Y536 WeakPolarHBondContact CA-O 3.48Å; G515-Y536 PolarHBondContact N-O 2.85Å; S534-Y536 WeakPolarHBondContact CB-O 3.05Å; S534-Y536 PolarHBondContact O-N 2.95Å; S534-Y536 PolarHBondContact OG-N 3.31Å; S534-Y536 VanDerWaalsContact OG-N 3.14Å; S534-Y536 PolarHBondContact OG-O 2.96Å; S534-Y536 VanDerWaalsContact OG-O 3.1Å; Y536-V538 PolarHBondContact O-N 3.28Å; Y536-Y555 WeakPolarHBondContact O-CD1 3.49Å; Y536-N557 HydrophobicContact CD1-CB 3.79Å; Y536-N557 HydrophobicContact CD2-CB 4.42Å; Y536-N557 VanDerWaalsContact CD2-ND2 3.34Å; Y536-N557 WeakPolarHBondContact CD2-ND2 3.37Å; Y536-N557 HydrophobicContact CE1-CB 4.03Å; Y536-N557 WeakPolarHBondContact CE2-ND2 3.31Å; Y536-N557 HydrophobicContact CG-CB 4Å
537	G	92.6	Very high	93.5	Very high	7 Å²	7	37.4 Å²	37.4	7%	0.072	20%	0.203	C	C	.	.			trans	-51.9	131	172.6	0	0	0	0	0	112.5	Y555 H556	G537-Y555 WeakPolarHBondContact O-CA 3.4Å; G537-H556 PolarHBondContact O-N 2.84Å
538	V	95.7	Very high	93.4	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	129.1	172.5	175.5	0	0	0	0	108.1	S488 Y504 F507 A517 Y536 V541 V553 Y555	S488-V538 VanDerWaalsContact CB-O 3.31Å; S488-V538 WeakPolarHBondContact CB-O 3.43Å; S488-V538 PolarHBondContact OG-O 3.29Å; Y504-V538 WeakPolarHBondContact O-CB 3.33Å; Y504-V538 PolarHBondContact O-N 2.96Å; F507-V538 WeakPolarHBondContact CZ-O 3.29Å; A517-V538 HydrophobicContact CB-CG2 4.16Å; Y536-V538 PolarHBondContact O-N 3.28Å; V538-V541 HydrophobicContact CG1-CG1 3.77Å; V538-V553 HydrophobicContact CB-CG1 4.4Å; V538-V553 HydrophobicContact CG1-CG1 3.74Å; V538-V553 HydrophobicContact CG2-CG1 3.8Å; V538-Y555 HydrophobicContact CG2-CD1 4.01Å; V538-Y555 HydrophobicContact CG2-CE1 3.64Å
539	T	95.1	Very high	93.4	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.031	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	-32.9	178.9	44.8	0	0	0	0	113.2	S488 F507 G554 H556 V587 W588	S488-T539 PolarHBondContact OG-O 3Å; F507-T539 HydrophobicContact CE1-CG2 3.68Å; F507-T539 HydrophobicContact CZ-CG2 4.08Å; T539-G554 PolarHBondContact N-O 2.61Å; T539-G554 PolarHBondContact OG1-O 3.41Å; T539-H556 HydrophobicContact CG2-CB 4.08Å; T539-V587 VanDerWaalsContact CB-O 3.26Å; T539-V587 WeakPolarHBondContact CB-O 3.28Å; T539-V587 PolarHBondContact OG1-O 2.99Å; T539-W588 HydrophobicContact CG2-CE3 4.35Å; T539-W588 HydrophobicContact CG2-CZ3 4.26Å
540	A	96.6	Very high	93.5	Very high	2 Å²	2	36.1 Å²	36.1	2%	0.017	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	145.2	-178.1	0	0	0	0	0	112.2	G554 L590	A540-G554 PolarHBondContact N-O 3.29Å; A540-G554 PolarHBondContact O-N 3.3Å; A540-L590 HydrophobicContact CB-CD2 4.38Å; A540-L590 HydrophobicContact CB-CG 3.9Å
541	V	97.6	Very high	93.7	Very high	6 Å²	6	33.9 Å²	33.9	4%	0.036	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	145	174.3	-63.6	0	0	0	0	111.6	S489 A491 A501 A517 V538 L551 A552 V553	S489-V541 PolarHBondContact OG-N 3.22Å; S489-V541 VanDerWaalsContact OG-N 3.11Å; A491-V541 HydrophobicContact CB-CG2 4.15Å; A491-V541 WeakPolarHBondContact CB-O 3.19Å; A501-V541 HydrophobicContact CB-CB 4.34Å; A501-V541 HydrophobicContact CB-CG2 4.01Å; A517-V541 HydrophobicContact CB-CG1 4.5Å; V538-V541 HydrophobicContact CG1-CG1 3.77Å; V541-L551 HydrophobicContact CB-CD1 4.35Å; V541-A552 WeakPolarHBondContact CA-O 3.44Å; V541-V553 HydrophobicContact CG1-CG1 4.4Å; V541-V553 HydrophobicContact CG1-CG2 4.32Å
542	D	97.5	Very high	93.8	Very high	13 Å²	13	32.5 Å²	32.5	7%	0.07	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	147.4	168.9	-170.4	25.1	0	0	0	112.7	K494 A552 L590 Q591 W592	K494-D542 WeakPolarHBondContact CE-OD1 3.35Å; K494-D542 VanDerWaalsContact NZ-CG 3.26Å; K494-D542 IonicContact NZ-OD1 3.8Å; K494-D542 PolarHBondContact NZ-OD1 2.89Å; K494-D542 VanDerWaalsContact NZ-OD1 3.11Å; K494-D542 IonicContact NZ-OD2 2.78Å; K494-D542 PolarHBondContact NZ-OD2 3.38Å; D542-A552 PolarHBondContact N-O 2.69Å; D542-A552 VanDerWaalsContact N-O 3.1Å; D542-A552 PolarHBondContact O-N 2.95Å; D542-L590 HydrophobicContact CB-CD1 3.58Å; D542-Q591 VanDerWaalsContact OD2-CA 3.28Å; D542-Q591 WeakPolarHBondContact OD2-CA 3.46Å; D542-W592 PolarHBondContact O-NE1 3.02Å; D542-W592 PolarHBondContact OD2-N 3.41Å
543	F	96.6	Very high	93.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	145.3	177.4	-79.3	-78.8	0	0	0	112.6	N493 K494 L499 A501 L551 V565 W592	N493-F543 HydrophobicContact CB-CD1 4.29Å; N493-F543 HydrophobicContact CB-CD2 3.73Å; N493-F543 HydrophobicContact CB-CE1 4.31Å; N493-F543 HydrophobicContact CB-CE2 3.73Å; N493-F543 HydrophobicContact CB-CG 3.99Å; N493-F543 HydrophobicContact CB-CZ 4.05Å; N493-F543 WeakPolarHBondContact ND2-CD1 3.47Å; N493-F543 VanDerWaalsContact ND2-CE1 3.27Å; N493-F543 WeakPolarHBondContact ND2-CE1 3.47Å; K494-F543 WeakPolarHBondContact CD-O 3.29Å; K494-F543 WeakPolarHBondContact CE-O 3.19Å; K494-F543 PolarHBondContact NZ-O 2.94Å; L499-F543 HydrophobicContact CD2-CE1 3.98Å; L499-F543 HydrophobicContact CD2-CZ 3.63Å; L499-F543 HydrophobicContact CG-CZ 4.12Å; A501-F543 HydrophobicContact CB-CD2 4.1Å; A501-F543 HydrophobicContact CB-CE2 3.43Å; A501-F543 VanDerWaalsContact CB-CE2 3.43Å; A501-F543 HydrophobicContact CB-CZ 3.99Å; F543-L551 HydrophobicContact CD1-CB 4.35Å; F543-L551 HydrophobicContact CD1-CD1 4.16Å; F543-L551 HydrophobicContact CD2-CD1 4.19Å; F543-L551 HydrophobicContact CE1-CB 4.24Å; F543-L551 HydrophobicContact CE1-CD1 4.17Å; F543-L551 HydrophobicContact CE2-CD1 4.21Å; F543-L551 HydrophobicContact CG-CD1 4.19Å; F543-L551 HydrophobicContact CZ-CD1 4.2Å; F543-V565 HydrophobicContact CE1-CG2 3.99Å; F543-W592 VanDerWaalsContact O-CD1 3.24Å
544	S	94.6	Very high	94.1	Very high	3 Å²	3	27 Å²	27	2%	0.021	17%	0.166	C	C	.	.			trans	-70.1	147	167.2	162.3	0	0	0	0	111.4	G546 A547 P548 L550 E606	S544-G546 PolarHBondContact OG-N 3.05Å; S544-A547 WeakPolarHBondContact CB-O 3.47Å; S544-A547 PolarHBondContact OG-N 3.36Å; S544-A547 PolarHBondContact OG-O 3.13Å; S544-P548 WeakPolarHBondContact O-CA 3.19Å; S544-L550 PolarHBondContact N-O 3.14Å; S544-E606 WeakPolarHBondContact CB-OE2 3.44Å; S544-E606 PolarHBondContact OG-OE2 3.09Å
545	I	89.1	Confident	94.3	Very high	74 Å²	74	26.8 Å²	26.8	38%	0.379	16%	0.164	S	C	.	.	S	Bend	trans	-84.3	-47.4	172.2	-57	165.6	0	0	0	109.5	K494 E606	K494-I545 HydrophobicContact CB-CG1 4.26Å; K494-I545 HydrophobicContact CD-CD1 4.14Å; K494-I545 HydrophobicContact CD-CG1 3.36Å; K494-I545 HydrophobicContact CG-CG1 4.44Å; I545-E606 VanDerWaalsContact CB-OE1 3.27Å; I545-E606 WeakPolarHBondContact CB-OE1 3.21Å; I545-E606 WeakPolarHBondContact CG1-OE1 3.42Å; I545-E606 VanDerWaalsContact N-CD 3.35Å; I545-E606 PolarHBondContact N-OE1 3.11Å; I545-E606 PolarHBondContact N-OE2 3.17Å
546	G	88.3	Confident	94.4	Very high	67 Å²	67	24.6 Å²	24.6	69%	0.691	15%	0.145	S	C	*	.	S	Bend	trans	-76.3	-26.3	-175.2	0	0	0	0	0	113.8	S544 E606	S544-G546 PolarHBondContact OG-N 3.05Å; G546-E606 PolarHBondContact N-OE2 3.03Å
547	A	91.6	Very high	94.4	Very high	29 Å²	29	20.8 Å²	20.8	24%	0.24	13%	0.133	C	C	.	.	S	Bend	trans	-134.3	79.7	174.6	0	0	0	0	0	109.8	S544 N549 L550	S544-A547 WeakPolarHBondContact CB-O 3.47Å; S544-A547 PolarHBondContact OG-N 3.36Å; S544-A547 PolarHBondContact OG-O 3.13Å; A547-N549 PolarHBondContact O-N 3.46Å; A547-L550 HydrophobicContact CB-CD1 3.86Å; A547-L550 HydrophobicContact CB-CG 3.95Å; A547-L550 WeakPolarHBondContact O-CB 3.45Å; A547-L550 PolarHBondContact O-N 3.17Å
548	P	93	Very high	94.4	Very high	41 Å²	41	20.5 Å²	20.5	27%	0.266	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-8.1	-172.1	-26.3	36.3	0	0	0	116	N493 T495 S544	N493-P548 PolarHBondContact ND2-O 2.86Å; T495-P548 HydrophobicContact CG2-CG 4.33Å; T495-P548 WeakPolarHBondContact OG1-CG 3.49Å; S544-P548 WeakPolarHBondContact O-CA 3.19Å
549	N	93.3	Very high	94.3	Very high	63 Å²	63	20.9 Å²	20.9	34%	0.337	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-9.3	171.1	67.4	-70.6	0	0	0	113.6	A547 N564 V565	A547-N549 PolarHBondContact O-N 3.46Å; N549-N564 PolarHBondContact ND2-OD1 3.21Å; N549-N564 CarbonylContact O-C 3.57Å; N549-N564 WeakPolarHBondContact O-CA 3.38Å; N549-V565 PolarHBondContact O-N 2.88Å
550	L	94.8	Very high	94.4	Very high	30 Å²	30	20.6 Å²	20.6	16%	0.157	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	124.7	178.6	-60.6	-175.1	0	0	0	111.3	S544 A547 I562 Y563 N564 I622	S544-L550 PolarHBondContact N-O 3.14Å; A547-L550 HydrophobicContact CB-CD1 3.86Å; A547-L550 HydrophobicContact CB-CG 3.95Å; A547-L550 WeakPolarHBondContact O-CB 3.45Å; A547-L550 PolarHBondContact O-N 3.17Å; L550-I562 HydrophobicContact CB-CG2 4.17Å; L550-I562 HydrophobicContact CD2-CG2 4.2Å; L550-Y563 WeakPolarHBondContact CA-O 3.49Å; L550-N564 HydrophobicContact CD2-CB 4.3Å; L550-I622 HydrophobicContact CD1-CD1 4.2Å
551	L	96.8	Very high	94.3	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	121.8	174.6	178.1	66.8	0	0	0	109.1	A501 Y532 V541 F543 V553 I562 Y563 V565	A501-L551 HydrophobicContact CB-CD1 3.56Å; A501-L551 HydrophobicContact CB-CD2 4.25Å; Y532-L551 HydrophobicContact CD2-CD2 4.38Å; Y532-L551 HydrophobicContact CE2-CD2 4.09Å; V541-L551 HydrophobicContact CB-CD1 4.35Å; F543-L551 HydrophobicContact CD1-CB 4.35Å; F543-L551 HydrophobicContact CD1-CD1 4.16Å; F543-L551 HydrophobicContact CD2-CD1 4.19Å; F543-L551 HydrophobicContact CE1-CB 4.24Å; F543-L551 HydrophobicContact CE1-CD1 4.17Å; F543-L551 HydrophobicContact CE2-CD1 4.21Å; F543-L551 HydrophobicContact CG-CD1 4.19Å; F543-L551 HydrophobicContact CZ-CD1 4.2Å; L551-V553 HydrophobicContact CD2-CG2 4.07Å; L551-V553 HydrophobicContact CG-CG2 3.99Å; L551-I562 WeakPolarHBondContact O-CA 3.49Å; L551-Y563 PolarHBondContact N-O 3.09Å; L551-Y563 PolarHBondContact O-N 2.87Å; L551-V565 HydrophobicContact CB-CG2 3.9Å
552	A	97.2	Very high	94.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	137.4	168.8	0	0	0	0	0	110.1	V541 D542 I562 L590 W592 L608	V541-A552 WeakPolarHBondContact CA-O 3.44Å; D542-A552 PolarHBondContact N-O 2.69Å; D542-A552 VanDerWaalsContact N-O 3.1Å; D542-A552 PolarHBondContact O-N 2.95Å; A552-I562 HydrophobicContact CB-CG1 4.43Å; A552-L590 HydrophobicContact CB-CD1 3.74Å; A552-L590 HydrophobicContact CB-CD2 4.21Å; A552-W592 HydrophobicContact CB-CZ2 3.95Å; A552-W592 VanDerWaalsContact CB-NE1 3.33Å; A552-L608 HydrophobicContact CB-CD1 3.95Å; A552-L608 HydrophobicContact CB-CD2 3.92Å
553	V	97.4	Very high	94.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	121.8	-177.9	-176.5	0	0	0	0	108.9	A517 V538 V541 L551 Y555 I560 A561 Y563	A517-V553 HydrophobicContact CB-CG1 4.17Å; A517-V553 HydrophobicContact CB-CG2 4.12Å; V538-V553 HydrophobicContact CB-CG1 4.4Å; V538-V553 HydrophobicContact CG1-CG1 3.74Å; V538-V553 HydrophobicContact CG2-CG1 3.8Å; V541-V553 HydrophobicContact CG1-CG1 4.4Å; V541-V553 HydrophobicContact CG1-CG2 4.32Å; L551-V553 HydrophobicContact CD2-CG2 4.07Å; L551-V553 HydrophobicContact CG-CG2 3.99Å; V553-Y555 HydrophobicContact CG1-CD1 4.5Å; V553-Y555 HydrophobicContact CG1-CE1 3.82Å; V553-Y555 HydrophobicContact CG1-CE2 4.36Å; V553-I560 WeakPolarHBondContact O-CA 3.09Å; V553-A561 PolarHBondContact N-O 2.86Å; V553-A561 PolarHBondContact O-N 2.89Å; V553-Y563 HydrophobicContact CB-CD2 4.28Å; V553-Y563 HydrophobicContact CB-CE2 4.22Å; V553-Y563 HydrophobicContact CG2-CD2 3.72Å; V553-Y563 HydrophobicContact CG2-CE2 4.06Å
554	G	96.2	Very high	94	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	140.3	177.1	0	0	0	0	0	110.9	T539 A540 L590	T539-G554 PolarHBondContact N-O 2.61Å; T539-G554 PolarHBondContact OG1-O 3.41Å; A540-G554 PolarHBondContact N-O 3.29Å; A540-G554 PolarHBondContact O-N 3.3Å; G554-L590 VanDerWaalsContact N-CD2 3.31Å
555	Y	95.1	Very high	93.9	Very high	8 Å²	8	22.9 Å²	22.9	3%	0.031	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	157.2	-177	-61.6	-69.8	0	0	0	113.2	S534 Y536 G537 V538 V553 N557 G558 T559 A561 Y563 V587	S534-Y555 WeakPolarHBondContact OG-CD1 3.34Å; S534-Y555 WeakPolarHBondContact OG-CE1 3.12Å; Y536-Y555 WeakPolarHBondContact O-CD1 3.49Å; G537-Y555 WeakPolarHBondContact O-CA 3.4Å; V538-Y555 HydrophobicContact CG2-CD1 4.01Å; V538-Y555 HydrophobicContact CG2-CE1 3.64Å; V553-Y555 HydrophobicContact CG1-CD1 4.5Å; V553-Y555 HydrophobicContact CG1-CE1 3.82Å; V553-Y555 HydrophobicContact CG1-CE2 4.36Å; Y555-N557 VanDerWaalsContact CB-OD1 3.29Å; Y555-N557 WeakPolarHBondContact CB-OD1 3.49Å; Y555-N557 PolarHBondContact O-N 2.78Å; Y555-N557 VanDerWaalsContact O-N 3.11Å; Y555-G558 PolarHBondContact O-N 3.24Å; Y555-G558 VanDerWaalsContact O-N 3.07Å; Y555-T559 HydrophobicContact CD2-CG2 3.89Å; Y555-T559 HydrophobicContact CE2-CG2 4.32Å; Y555-T559 PolarHBondContact N-O 2.88Å; Y555-A561 HydrophobicContact CE2-CB 3.82Å; Y555-Y563 WeakPolarHBondContact OH-CE2 3.28Å; Y555-Y563 PolarHBondContact OH-OH 2.87Å; Y555-Y563 VanDerWaalsContact OH-OH 3.06Å; Y555-V587 PolarHBondContact O-N 2.92Å
556	H	92.5	Very high	94	Very high	51 Å²	51	29.4 Å²	29.4	24%	0.236	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-21.8	175.5	-168.1	89.1	0	0	0	114	Q512 G537 T539 G558 P586	Q512-H556 PolarHBondContact NE2-CD2 3.3Å; Q512-H556 VanDerWaalsContact NE2-CD2 3.3Å; Q512-H556 PolarHBondContact NE2-NE2 3.39Å; G537-H556 PolarHBondContact O-N 2.84Å; T539-H556 HydrophobicContact CG2-CB 4.08Å; H556-G558 VanDerWaalsContact C-N 3.33Å; H556-P586 WeakPolarHBondContact O-CA 3.42Å; H556-P586 WeakPolarHBondContact O-CD 3.48Å; H556-P586 WeakPolarHBondContact O-CG 3.09Å
557	N	91.4	Very high	94	Very high	37 Å²	37	28.2 Å²	28.2	20%	0.198	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	10	178	79	-24.8	0	0	0	114.1	Y536 Y555 T559 K582	Y536-N557 HydrophobicContact CD1-CB 3.79Å; Y536-N557 HydrophobicContact CD2-CB 4.42Å; Y536-N557 VanDerWaalsContact CD2-ND2 3.34Å; Y536-N557 WeakPolarHBondContact CD2-ND2 3.37Å; Y536-N557 HydrophobicContact CE1-CB 4.03Å; Y536-N557 WeakPolarHBondContact CE2-ND2 3.31Å; Y536-N557 HydrophobicContact CG-CB 4Å; Y555-N557 VanDerWaalsContact CB-OD1 3.29Å; Y555-N557 WeakPolarHBondContact CB-OD1 3.49Å; Y555-N557 PolarHBondContact O-N 2.78Å; Y555-N557 VanDerWaalsContact O-N 3.11Å; N557-T559 VanDerWaalsContact C-N 3.29Å; N557-T559 PolarHBondContact ND2-OG1 2.79Å; N557-T559 PolarHBondContact O-N 2.93Å; N557-T559 WeakPolarHBondContact OD1-CB 3.26Å; N557-T559 PolarHBondContact OD1-N 2.95Å; N557-T559 PolarHBondContact OD1-OG1 2.84Å; N557-K582 PolarHBondContact ND2-NZ 3.45Å; N557-K582 WeakPolarHBondContact O-CE 3.26Å; N557-K582 PolarHBondContact O-NZ 3.13Å
558	G	92.1	Very high	93.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	79.6	0.1	-177.3	0	0	0	0	0	115.7	Y555 H556 K582 H583 G585	Y555-G558 PolarHBondContact O-N 3.24Å; Y555-G558 VanDerWaalsContact O-N 3.07Å; H556-G558 VanDerWaalsContact C-N 3.33Å; G558-K582 WeakPolarHBondContact O-CG 3.45Å; G558-H583 WeakPolarHBondContact CA-O 3.1Å; G558-G585 WeakPolarHBondContact CA-O 3.48Å; G558-G585 PolarHBondContact N-O 3.3Å
559	T	94.2	Very high	93.4	Very high	8 Å²	8	33.3 Å²	33.3	5%	0.049	17%	0.168	C	C	.	.			trans	-75.7	145.4	173.5	-71.1	0	0	0	0	110.1	Y555 N557 D575 K582	Y555-T559 HydrophobicContact CD2-CG2 3.89Å; Y555-T559 HydrophobicContact CE2-CG2 4.32Å; Y555-T559 PolarHBondContact N-O 2.88Å; N557-T559 VanDerWaalsContact C-N 3.29Å; N557-T559 PolarHBondContact ND2-OG1 2.79Å; N557-T559 PolarHBondContact O-N 2.93Å; N557-T559 WeakPolarHBondContact OD1-CB 3.26Å; N557-T559 PolarHBondContact OD1-N 2.95Å; N557-T559 PolarHBondContact OD1-OG1 2.84Å; T559-D575 WeakPolarHBondContact CG2-OD1 3.23Å; T559-K582 WeakPolarHBondContact OG1-CE 3.42Å; T559-K582 PolarHBondContact OG1-NZ 2.95Å
560	I	95.6	Very high	93.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	126.2	168.7	-62.7	176.3	0	0	0	107.3	V553 S576 V587 L590 L608 S610 W620	V553-I560 WeakPolarHBondContact O-CA 3.09Å; I560-S576 PolarHBondContact N-OG 3.4Å; I560-S576 WeakPolarHBondContact O-CB 3.5Å; I560-S576 PolarHBondContact O-N 3.27Å; I560-S576 PolarHBondContact O-OG 2.89Å; I560-V587 HydrophobicContact CD1-CG1 4.05Å; I560-V587 HydrophobicContact CD1-CG2 4.23Å; I560-V587 HydrophobicContact CG1-CG1 4.23Å; I560-V587 HydrophobicContact CG1-CG2 3.9Å; I560-L590 HydrophobicContact CG2-CD2 4.32Å; I560-L608 HydrophobicContact CG2-CD2 4Å; I560-S610 WeakPolarHBondContact CD1-OG 3.45Å; I560-W620 HydrophobicContact CD1-CD2 4.49Å; I560-W620 HydrophobicContact CD1-CZ2 4Å
561	A	95.1	Very high	92.9	Very high	2 Å²	2	38.1 Å²	38.1	2%	0.017	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	152.5	176.5	0	0	0	0	0	110.6	V553 Y555 Y563 P572 L574	V553-A561 PolarHBondContact N-O 2.86Å; V553-A561 PolarHBondContact O-N 2.89Å; Y555-A561 HydrophobicContact CE2-CB 3.82Å; A561-Y563 HydrophobicContact CB-CD2 4.45Å; A561-Y563 HydrophobicContact CB-CE2 3.82Å; A561-P572 HydrophobicContact CB-CB 3.86Å; A561-P572 HydrophobicContact CB-CG 4.3Å; A561-L574 CarbonylContact C-O 3.55Å; A561-L574 WeakPolarHBondContact CA-O 3.44Å
562	I	95.4	Very high	92.7	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	122.5	174.9	-62.9	173.2	0	0	0	108.8	L550 L551 A552 V573 L574 W592 L608 I622 L626	L550-I562 HydrophobicContact CB-CG2 4.17Å; L550-I562 HydrophobicContact CD2-CG2 4.2Å; L551-I562 WeakPolarHBondContact O-CA 3.49Å; A552-I562 HydrophobicContact CB-CG1 4.43Å; I562-V573 PolarHBondContact O-N 3.19Å; I562-L574 HydrophobicContact CB-CB 4.36Å; I562-L574 HydrophobicContact CD1-CD1 4.39Å; I562-L574 PolarHBondContact N-O 3.44Å; I562-L574 PolarHBondContact O-N 2.99Å; I562-W592 HydrophobicContact CD1-CH2 3.74Å; I562-W592 HydrophobicContact CD1-CZ2 3.81Å; I562-W592 HydrophobicContact CG1-CZ2 4.27Å; I562-L608 HydrophobicContact CD1-CD2 4.33Å; I562-I622 HydrophobicContact CD1-CD1 4.07Å; I562-I622 HydrophobicContact CD1-CG1 4.04Å; I562-L626 HydrophobicContact CD1-CD1 4.37Å; I562-L626 HydrophobicContact CD1-CD2 3.89Å
563	Y	95.6	Very high	92.5	Very high	10 Å²	10	44 Å²	44	4%	0.039	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	149.3	178.3	-69.8	-89.8	0	0	0	110.9	Y532 L550 L551 V553 Y555 A561 P572	Y532-Y563 AromaticContact CD1-CD1 3.25Å; Y532-Y563 HydrophobicContact CD1-CD1 3.25Å; Y532-Y563 AromaticContact CD1-CE1 3.61Å; Y532-Y563 HydrophobicContact CD1-CE1 3.61Å; Y532-Y563 AromaticContact CD1-CG 3.87Å; Y532-Y563 HydrophobicContact CD1-CG 3.87Å; Y532-Y563 HydrophobicContact CD2-CD1 4.42Å; Y532-Y563 HydrophobicContact CD2-CG 4.24Å; Y532-Y563 AromaticContact CE1-CD1 3.64Å; Y532-Y563 HydrophobicContact CE1-CD1 3.64Å; Y532-Y563 HydrophobicContact CE1-CE1 4.42Å; Y532-Y563 HydrophobicContact CE1-CG 4.09Å; Y532-Y563 HydrophobicContact CE2-CG 4.45Å; Y532-Y563 AromaticContact CG-CD1 3.7Å; Y532-Y563 HydrophobicContact CG-CD1 3.7Å; Y532-Y563 HydrophobicContact CG-CD2 4.4Å; Y532-Y563 AromaticContact CG-CE1 3.91Å; Y532-Y563 HydrophobicContact CG-CE1 3.91Å; Y532-Y563 AromaticContact CG-CG 3.95Å; Y532-Y563 HydrophobicContact CG-CG 3.95Å; L550-Y563 WeakPolarHBondContact CA-O 3.49Å; L551-Y563 PolarHBondContact N-O 3.09Å; L551-Y563 PolarHBondContact O-N 2.87Å; V553-Y563 HydrophobicContact CB-CD2 4.28Å; V553-Y563 HydrophobicContact CB-CE2 4.22Å; V553-Y563 HydrophobicContact CG2-CD2 3.72Å; V553-Y563 HydrophobicContact CG2-CE2 4.06Å; Y555-Y563 WeakPolarHBondContact OH-CE2 3.28Å; Y555-Y563 PolarHBondContact OH-OH 2.87Å; Y555-Y563 VanDerWaalsContact OH-OH 3.06Å; A561-Y563 HydrophobicContact CB-CD2 4.45Å; A561-Y563 HydrophobicContact CB-CE2 3.82Å; Y563-P572 HydrophobicContact CD1-CB 4.16Å; Y563-P572 HydrophobicContact CD2-CB 4.44Å; Y563-P572 HydrophobicContact CE1-CB 3.83Å; Y563-P572 HydrophobicContact CE1-CG 4.38Å; Y563-P572 HydrophobicContact CE2-CB 4.11Å; Y563-P572 HydrophobicContact CG-CB 4.47Å
564	N	94.4	Very high	92.2	Very high	42 Å²	42	45.7 Å²	45.7	23%	0.225	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	106.4	172.9	177.9	7.6	0	0	0	109.6	N549 L550 R566 S567 V573	N549-N564 PolarHBondContact ND2-OD1 3.21Å; N549-N564 CarbonylContact O-C 3.57Å; N549-N564 WeakPolarHBondContact O-CA 3.38Å; L550-N564 HydrophobicContact CD2-CB 4.3Å; N564-R566 PolarHBondContact O-N 3.17Å; N564-R566 VanDerWaalsContact O-N 3.15Å; N564-R566 WeakPolarHBondContact OD1-CB 3.42Å; N564-R566 PolarHBondContact OD1-N 3.37Å; N564-S567 PolarHBondContact O-N 3.26Å; N564-S567 PolarHBondContact O-OG 2.91Å; N564-V573 HydrophobicContact CB-CG2 3.66Å
565	V	93.3	Very high	92	Very high	16 Å²	16	48.9 Å²	48.9	10%	0.097	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-20.3	-174.8	-174.3	0	0	0	0	112.8	L499 C519 R530 Y532 F543 N549 L551 S567	L499-V565 HydrophobicContact CD2-CG1 4.26Å; C519-V565 HydrophobicContact CB-CG1 4.36Å; R530-V565 HydrophobicContact CG-CG1 3.89Å; R530-V565 PolarHBondContact NE-O 2.88Å; Y532-V565 WeakPolarHBondContact OH-CA 3.15Å; F543-V565 HydrophobicContact CE1-CG2 3.99Å; N549-V565 PolarHBondContact O-N 2.88Å; L551-V565 HydrophobicContact CB-CG2 3.9Å; V565-S567 VanDerWaalsContact C-N 3.31Å; V565-S567 PolarHBondContact O-N 2.76Å
566	R	91.2	Very high	91.9	Very high	211 Å²	211	48.5 Å²	48.5	80%	0.796	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-32.3	172.4	-171.5	175.1	178.3	178.8	0.2	112.6	N564	N564-R566 PolarHBondContact O-N 3.17Å; N564-R566 VanDerWaalsContact O-N 3.15Å; N564-R566 WeakPolarHBondContact OD1-CB 3.42Å; N564-R566 PolarHBondContact OD1-N 3.37Å
567	S	87.4	Confident	91.6	Very high	42 Å²	42	49 Å²	49	29%	0.294	27%	0.267	S	S	.	.	S	Bend	trans	-92.7	138.2	-178.7	50.9	0	0	0	0	112.6	N564 V565 S569	N564-S567 PolarHBondContact O-N 3.26Å; N564-S567 PolarHBondContact O-OG 2.91Å; V565-S567 VanDerWaalsContact C-N 3.31Å; V565-S567 PolarHBondContact O-N 2.76Å; S567-S569 PolarHBondContact O-N 2.76Å
568	N	83.3	Confident	91.2	Very high	127 Å²	127	56 Å²	56	68%	0.679	30%	0.298	S	S	*	.			trans	-78.6	26.4	173.6	-61.2	5.2	0	0	0	112.5	R530	R530-N568 PolarHBondContact NE-OD1 3.02Å; R530-N568 PolarHBondContact NH2-OD1 3.17Å
569	S	89	Confident	90.8	Very high	51 Å²	51	57 Å²	57	36%	0.357	31%	0.305	S	S	.	.			trans	-93	131.4	-179.1	-178.2	0	0	0	0	110.5	S567 V571	S567-S569 PolarHBondContact O-N 2.76Å; S569-V571 PolarHBondContact O-N 2.68Å; S569-V571 PolarHBondContact OG-N 3.11Å
570	N	87.3	Confident	90.2	Very high	92 Å²	92	63 Å²	63	49%	0.492	35%	0.345	S	S	.	.	S	Bend	trans	-80.5	0.5	174	-62.7	-3.7	0	0	0	112.6	I531	I531-N570 PolarHBondContact O-OD1 2.93Å
571	V	91	Very high	89.7	Confident	102 Å²	102	67.6 Å²	67.6	62%	0.618	37%	0.366	S	S	*	.	S	Bend	trans	-92.8	130.9	178.4	-173.2	0	0	0	0	109.4	S569	S569-V571 PolarHBondContact O-N 2.68Å; S569-V571 PolarHBondContact OG-N 3.11Å
572	P	92.6	Very high	89.5	Confident	38 Å²	38	69.8 Å²	69.8	25%	0.247	38%	0.375	C	S	.	.			trans	-67.6	151.1	175.5	29.4	-35	0	0	0	111.7	A561 Y563 D575	A561-P572 HydrophobicContact CB-CB 3.86Å; A561-P572 HydrophobicContact CB-CG 4.3Å; Y563-P572 HydrophobicContact CD1-CB 4.16Å; Y563-P572 HydrophobicContact CD2-CB 4.44Å; Y563-P572 HydrophobicContact CE1-CB 3.83Å; Y563-P572 HydrophobicContact CE1-CG 4.38Å; Y563-P572 HydrophobicContact CE2-CB 4.11Å; Y563-P572 HydrophobicContact CG-CB 4.47Å; P572-D575 HydrophobicContact CG-CB 4.44Å
573	V	92.3	Very high	89.4	Confident	86 Å²	86	69.8 Å²	69.8	52%	0.521	38%	0.375	S	S	.	.	S	Bend	trans	-78.2	-31.8	176.4	-177.5	0	0	0	0	111.1	I562 N564	I562-V573 PolarHBondContact O-N 3.19Å; N564-V573 HydrophobicContact CB-CG2 3.66Å
574	L	92.1	Very high	89.2	Confident	36 Å²	36	76.6 Å²	76.6	19%	0.188	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	144.2	174.2	-61.9	169.7	0	0	0	109.4	A561 I562 I622 L626	A561-L574 CarbonylContact C-O 3.55Å; A561-L574 WeakPolarHBondContact CA-O 3.44Å; I562-L574 HydrophobicContact CB-CB 4.36Å; I562-L574 HydrophobicContact CD1-CD1 4.39Å; I562-L574 PolarHBondContact N-O 3.44Å; I562-L574 PolarHBondContact O-N 2.99Å; L574-I622 HydrophobicContact CD1-CB 4.35Å; L574-I622 HydrophobicContact CD1-CG1 3.92Å; L574-I622 HydrophobicContact CD1-CG2 3.73Å; L574-L626 HydrophobicContact CB-CD1 3.8Å; L574-L626 HydrophobicContact CB-CG 4.05Å; L574-L626 HydrophobicContact CD1-CG 4.47Å
575	D	91.6	Very high	89.1	Confident	66 Å²	66	75.2 Å²	75.2	35%	0.353	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	140.8	179.1	-177.6	3.4	0	0	0	109.5	T559 P572 S577	T559-D575 WeakPolarHBondContact CG2-OD1 3.23Å; P572-D575 HydrophobicContact CG-CB 4.44Å; D575-S577 WeakPolarHBondContact OD1-CB 3.21Å; D575-S577 PolarHBondContact OD1-N 3.35Å; D575-S577 PolarHBondContact OD1-OG 2.95Å; D575-S577 WeakPolarHBondContact OD2-CB 3.39Å; D575-S577 PolarHBondContact OD2-OG 3.18Å
576	S	92.4	Very high	89.1	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	41%	0.408	C	S	.	.	S	Bend	trans	-88.8	1.7	174.1	78.2	0	0	0	0	114.2	I560 E578 S579 W620	I560-S576 PolarHBondContact N-OG 3.4Å; I560-S576 WeakPolarHBondContact O-CB 3.5Å; I560-S576 PolarHBondContact O-N 3.27Å; I560-S576 PolarHBondContact O-OG 2.89Å; S576-E578 VanDerWaalsContact C-N 3.29Å; S576-E578 PolarHBondContact O-N 2.79Å; S576-S579 WeakPolarHBondContact O-CB 3.34Å; S576-S579 PolarHBondContact O-N 2.84Å; S576-S579 PolarHBondContact O-OG 3.43Å; S576-W620 VanDerWaalsContact CB-CZ3 3.45Å
577	S	86.8	Confident	89.3	Confident	62 Å²	62	65.2 Å²	65.2	43%	0.434	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-38.6	178.5	61.4	0	0	0	0	114.3	D575	D575-S577 WeakPolarHBondContact OD1-CB 3.21Å; D575-S577 PolarHBondContact OD1-N 3.35Å; D575-S577 PolarHBondContact OD1-OG 2.95Å; D575-S577 WeakPolarHBondContact OD2-CB 3.39Å; D575-S577 PolarHBondContact OD2-OG 3.18Å
578	E	82.5	Confident	89.7	Confident	183 Å²	183	67.6 Å²	67.6	86%	0.855	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-6.6	176.2	-59.6	-170.6	162.1	0	0	113.7	S576	S576-E578 VanDerWaalsContact C-N 3.29Å; S576-E578 PolarHBondContact O-N 2.79Å
579	S	84.8	Confident	90.4	Very high	21 Å²	21	63.1 Å²	63.1	15%	0.147	35%	0.348	C	S	.	.			trans	-76	131.1	-174	75	0	0	0	0	112.1	S576 Q581 K582	S576-S579 WeakPolarHBondContact O-CB 3.34Å; S576-S579 PolarHBondContact O-N 2.84Å; S576-S579 PolarHBondContact O-OG 3.43Å; S579-Q581 PolarHBondContact O-N 2.9Å; S579-Q581 VanDerWaalsContact O-N 3.1Å; S579-K582 WeakPolarHBondContact O-CB 3.37Å; S579-K582 PolarHBondContact O-N 3.29Å; S579-K582 PolarHBondContact OG-N 3.38Å
580	P	80.5	Confident	90.7	Very high	135 Å²	135	61 Å²	61	88%	0.877	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-7.3	-174.7	29.2	-36.7	0	0	0	114.2
581	Q	84.6	Confident	91.1	Very high	97 Å²	97	59.3 Å²	59.3	45%	0.453	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	12	178.1	-66.5	-170.4	0.5	0	0	113.6	S579 R616 C628	S579-Q581 PolarHBondContact O-N 2.9Å; S579-Q581 VanDerWaalsContact O-N 3.1Å; Q581-R616 PolarHBondContact O-NH1 3.16Å; Q581-R616 PolarHBondContact O-NH2 3.43Å; Q581-R616 VanDerWaalsContact O-NH2 3.1Å; Q581-C628 HydrophobicContact CB-CB 3.97Å; Q581-C628 PolarHBondContact OE1-O 2.61Å
582	K	91.3	Very high	91.3	Very high	47 Å²	47	55 Å²	55	20%	0.204	29%	0.294	C	S	.	.			trans	-40.4	143.8	174.4	-169.4	-164.9	133.8	161.5	0	112.5	N557 G558 T559 S579 R616	N557-K582 PolarHBondContact ND2-NZ 3.45Å; N557-K582 WeakPolarHBondContact O-CE 3.26Å; N557-K582 PolarHBondContact O-NZ 3.13Å; G558-K582 WeakPolarHBondContact O-CG 3.45Å; T559-K582 WeakPolarHBondContact OG1-CE 3.42Å; T559-K582 PolarHBondContact OG1-NZ 2.95Å; S579-K582 WeakPolarHBondContact O-CB 3.37Å; S579-K582 PolarHBondContact O-N 3.29Å; S579-K582 PolarHBondContact OG-N 3.38Å; K582-R616 PolarHBondContact O-NH2 2.95Å
583	H	94.1	Very high	91.2	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	29%	0.285	C	S	.	.			trans	-59	143.4	171.7	-75.1	-64.4	0	0	0	112	G558 V587 S610 S612 D614 R616	G558-H583 WeakPolarHBondContact CA-O 3.1Å; H583-V587 HydrophobicContact CB-CG2 4.41Å; H583-S610 PolarHBondContact NE2-OG 3.3Å; H583-S612 VanDerWaalsContact CG-CB 3.46Å; H583-S612 WeakPolarHBondContact ND1-CB 3.48Å; H583-D614 WeakPolarHBondContact CA-OD2 3.45Å; H583-D614 IonicContact CE1-OD1 2.8Å; H583-D614 IonicContact CG-OD2 2.93Å; H583-D614 IonicContact ND1-OD1 3.47Å; H583-D614 PolarHBondContact ND1-OD1 3Å; H583-D614 VanDerWaalsContact ND1-OD1 3.16Å; H583-D614 IonicContact ND1-OD2 2.61Å; H583-D614 PolarHBondContact ND1-OD2 3.15Å; H583-R616 PolarHBondContact CE1-O 2.87Å
584	L	91.8	Very high	91	Very high	153 Å²	153	53.3 Å²	53.3	80%	0.801	28%	0.277	S	S	*	.	S	Bend	trans	-94.4	-6.6	-177	-60.7	178.1	0	0	0	113.7	D614	L584-D614 HydrophobicContact CB-CB 4.04Å; L584-D614 PolarHBondContact N-OD2 2.81Å
585	G	91	Very high	90.5	Very high	13 Å²	13	52.5 Å²	52.5	13%	0.134	27%	0.273	C	S	.	.	S	Bend	trans	-145.4	-175.7	176.7	0	0	0	0	0	111.8	G558 S612	G558-G585 WeakPolarHBondContact CA-O 3.48Å; G558-G585 PolarHBondContact N-O 3.3Å; G585-S612 PolarHBondContact O-OG 3.47Å
586	P	93.5	Very high	89.6	Confident	18 Å²	18	52.6 Å²	52.6	12%	0.117	27%	0.273	C	S	.	.			trans	-49.4	140.5	-176.4	-29.4	33.9	0	0	0	114	H556 W588 S612 A613	H556-P586 WeakPolarHBondContact O-CA 3.42Å; H556-P586 WeakPolarHBondContact O-CD 3.48Å; H556-P586 WeakPolarHBondContact O-CG 3.09Å; P586-W588 HydrophobicContact CB-CD2 4.09Å; P586-W588 HydrophobicContact CB-CE3 4.46Å; P586-W588 HydrophobicContact CB-CH2 4.34Å; P586-W588 HydrophobicContact CB-CZ2 3.95Å; P586-W588 HydrophobicContact CG-CZ2 4.12Å; P586-W588 PolarHBondContact O-N 2.9Å; P586-S612 WeakPolarHBondContact O-CA 3.11Å; P586-S612 WeakPolarHBondContact O-CB 3.38Å; P586-S612 PolarHBondContact O-OG 2.84Å; P586-A613 PolarHBondContact O-N 2.88Å
587	V	96.3	Very high	88.1	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	88.5	172	-174.8	0	0	0	0	108.4	T539 Y555 I560 H583 Q589 L590 I611	T539-V587 VanDerWaalsContact CB-O 3.26Å; T539-V587 WeakPolarHBondContact CB-O 3.28Å; T539-V587 PolarHBondContact OG1-O 2.99Å; Y555-V587 PolarHBondContact O-N 2.92Å; I560-V587 HydrophobicContact CD1-CG1 4.05Å; I560-V587 HydrophobicContact CD1-CG2 4.23Å; I560-V587 HydrophobicContact CG1-CG1 4.23Å; I560-V587 HydrophobicContact CG1-CG2 3.9Å; H583-V587 HydrophobicContact CB-CG2 4.41Å; V587-Q589 VanDerWaalsContact C-N 3.35Å; V587-Q589 PolarHBondContact O-N 3.22Å; V587-L590 HydrophobicContact CG1-CB 4.39Å; V587-I611 WeakPolarHBondContact CA-O 3.32Å
588	W	95.5	Very high	86.6	Confident	92 Å²	92	58.7 Å²	58.7	35%	0.348	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	-31.3	-171.6	-69.5	126.3	0	0	0	113.7	T539 P586 I611 M663	T539-W588 HydrophobicContact CG2-CE3 4.35Å; T539-W588 HydrophobicContact CG2-CZ3 4.26Å; P586-W588 HydrophobicContact CB-CD2 4.09Å; P586-W588 HydrophobicContact CB-CE3 4.46Å; P586-W588 HydrophobicContact CB-CH2 4.34Å; P586-W588 HydrophobicContact CB-CZ2 3.95Å; P586-W588 HydrophobicContact CG-CZ2 4.12Å; P586-W588 PolarHBondContact O-N 2.9Å; W588-I611 PolarHBondContact N-O 2.98Å; W588-M663 WeakPolarHBondContact CB-O 3.35Å; W588-M663 HydrophobicContact CD2-CE 4.16Å; W588-M663 HydrophobicContact CG-CE 4.19Å; W588-M663 HydrophobicContact CG-SD 4.36Å
589	Q	96.9	Very high	85.2	Confident	32 Å²	32	57.5 Å²	57.5	15%	0.15	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	144.5	171.8	-171.3	-178.4	-17.4	0	0	110	V587 S610 I611 C664 F665	V587-Q589 VanDerWaalsContact C-N 3.35Å; V587-Q589 PolarHBondContact O-N 3.22Å; Q589-S610 WeakPolarHBondContact O-CA 3.2Å; Q589-I611 HydrophobicContact CB-CG2 3.81Å; Q589-I611 PolarHBondContact O-N 3.34Å; Q589-C664 VanDerWaalsContact OE1-CA 3.24Å; Q589-F665 HydrophobicContact CB-CD1 4.21Å; Q589-F665 HydrophobicContact CB-CE1 3.99Å; Q589-F665 HydrophobicContact CG-CD1 4.23Å; Q589-F665 HydrophobicContact CG-CE1 3.88Å; Q589-F665 HydrophobicContact CG-CZ 4.31Å; Q589-F665 PolarHBondContact NE2-O 3.32Å; Q589-F665 PolarHBondContact OE1-O 3.21Å
590	L	96.4	Very high	83.5	Confident	7 Å²	7	61.2 Å²	61.2	4%	0.037	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	156.2	164.2	63.9	76.3	0	0	0	109.3	A540 D542 A552 G554 I560 V587 L608 V609	A540-L590 HydrophobicContact CB-CD2 4.38Å; A540-L590 HydrophobicContact CB-CG 3.9Å; D542-L590 HydrophobicContact CB-CD1 3.58Å; A552-L590 HydrophobicContact CB-CD1 3.74Å; A552-L590 HydrophobicContact CB-CD2 4.21Å; G554-L590 VanDerWaalsContact N-CD2 3.31Å; I560-L590 HydrophobicContact CG2-CD2 4.32Å; V587-L590 HydrophobicContact CG1-CB 4.39Å; L590-L608 HydrophobicContact CB-CD1 4.18Å; L590-L608 HydrophobicContact CD1-CD1 4.1Å; L590-V609 CarbonylContact C-O 3.56Å; L590-V609 VanDerWaalsContact CA-O 3.23Å; L590-V609 WeakPolarHBondContact CA-O 3.29Å
591	Q	95.7	Very high	82.3	Confident	57 Å²	57	57.4 Å²	57.4	27%	0.266	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	140.5	-179.9	-171.6	-178.8	-5.8	0	0	110.2	D542 I593 V609 F665	D542-Q591 VanDerWaalsContact OD2-CA 3.28Å; D542-Q591 WeakPolarHBondContact OD2-CA 3.46Å; Q591-I593 HydrophobicContact CB-CD1 4.07Å; Q591-I593 HydrophobicContact CG-CD1 4.15Å; Q591-I593 HydrophobicContact CG-CG1 4.18Å; Q591-I593 WeakPolarHBondContact O-CD1 3.27Å; Q591-V609 PolarHBondContact N-O 3.4Å; Q591-V609 PolarHBondContact O-N 2.92Å; Q591-F665 HydrophobicContact CB-CE2 3.7Å; Q591-F665 HydrophobicContact CB-CZ 3.64Å
592	W	94.6	Very high	81	Confident	11 Å²	11	60.3 Å²	60.3	4%	0.042	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	127.8	164.2	-61	90.5	0	0	0	111.1	K494 D542 F543 A552 I562 E606 I607 L608 I622	K494-W592 PolarHBondContact NZ-O 2.87Å; D542-W592 PolarHBondContact O-NE1 3.02Å; D542-W592 PolarHBondContact OD2-N 3.41Å; F543-W592 VanDerWaalsContact O-CD1 3.24Å; A552-W592 HydrophobicContact CB-CZ2 3.95Å; A552-W592 VanDerWaalsContact CB-NE1 3.33Å; I562-W592 HydrophobicContact CD1-CH2 3.74Å; I562-W592 HydrophobicContact CD1-CZ2 3.81Å; I562-W592 HydrophobicContact CG1-CZ2 4.27Å; W592-E606 HydrophobicContact CB-CG 4.2Å; W592-E606 WeakPolarHBondContact CB-OE1 3.37Å; W592-E606 HydrophobicContact CE3-CG 4.02Å; W592-I607 WeakPolarHBondContact CA-O 3.24Å; W592-L608 HydrophobicContact CD2-CB 4.02Å; W592-L608 HydrophobicContact CD2-CD1 4.2Å; W592-L608 HydrophobicContact CE3-CB 3.72Å; W592-L608 HydrophobicContact CG-CD1 4.36Å; W592-L608 HydrophobicContact CH2-CB 3.86Å; W592-L608 HydrophobicContact CH2-CD2 4.18Å; W592-L608 HydrophobicContact CZ2-CB 4.18Å; W592-L608 HydrophobicContact CZ2-CD1 4.48Å; W592-L608 HydrophobicContact CZ2-CD2 4Å; W592-L608 HydrophobicContact CZ2-CG 4.47Å; W592-L608 HydrophobicContact CZ3-CB 3.65Å; W592-I622 HydrophobicContact CH2-CD1 3.63Å; W592-I622 HydrophobicContact CH2-CG1 4.29Å; W592-I622 HydrophobicContact CZ3-CD1 4.13Å
593	I	91.2	Very high	79.5	Confident	10 Å²	10	61.7 Å²	61.7	5%	0.051	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	135.9	179.9	-57	103.5	0	0	0	108.9	Q591 E606 I607 V609 F665 F667 T672	Q591-I593 HydrophobicContact CB-CD1 4.07Å; Q591-I593 HydrophobicContact CG-CD1 4.15Å; Q591-I593 HydrophobicContact CG-CG1 4.18Å; Q591-I593 WeakPolarHBondContact O-CD1 3.27Å; I593-E606 WeakPolarHBondContact O-CA 3.3Å; I593-I607 HydrophobicContact CB-CG1 4.37Å; I593-I607 PolarHBondContact N-O 2.84Å; I593-I607 WeakPolarHBondContact O-CG1 3.5Å; I593-I607 PolarHBondContact O-N 3.34Å; I593-V609 HydrophobicContact CD1-CB 3.73Å; I593-V609 HydrophobicContact CD1-CG2 3.71Å; I593-F665 HydrophobicContact CD1-CE2 4.44Å; I593-F667 HydrophobicContact CD1-CD2 3.67Å; I593-F667 HydrophobicContact CD1-CE1 4.49Å; I593-F667 HydrophobicContact CD1-CE2 3.43Å; I593-F667 VanDerWaalsContact CD1-CE2 3.43Å; I593-F667 HydrophobicContact CD1-CG 4.34Å; I593-F667 HydrophobicContact CD1-CZ 3.89Å; I593-F667 HydrophobicContact CG1-CD1 4.36Å; I593-F667 HydrophobicContact CG1-CD2 3.75Å; I593-F667 HydrophobicContact CG1-CE2 3.99Å; I593-F667 HydrophobicContact CG1-CG 3.97Å; I593-F667 HydrophobicContact CG1-CZ 4.38Å; I593-F667 HydrophobicContact CG2-CD1 4.18Å; I593-F667 HydrophobicContact CG2-CE1 4.49Å; I593-F667 HydrophobicContact CG2-CG 4.42Å; I593-T672 HydrophobicContact CG2-CG2 4.22Å
594	E	88	Confident	78.3	Confident	78 Å²	78	66 Å²	66	36%	0.364	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	121.6	166.9	-175.7	176.4	-109	0	0	109.5	K604 T672	E594-K604 HydrophobicContact CG-CB 4.26Å; E594-K604 HydrophobicContact CG-CD 3.87Å; E594-K604 WeakPolarHBondContact OE1-CD 3.41Å; E594-K604 WeakPolarHBondContact OE2-CD 3.42Å; E594-K604 WeakPolarHBondContact OE2-CE 3.02Å; E594-K604 IonicContact OE2-NZ 3.16Å; E594-K604 PolarHBondContact OE2-NZ 3.47Å; E594-T672 WeakPolarHBondContact O-CB 3.29Å; E594-T672 VanDerWaalsContact O-CG2 3.3Å; E594-T672 WeakPolarHBondContact O-CG2 3.46Å
595	Q	80.5	Confident	77.7	Confident	19 Å²	19	65.1 Å²	65.1	9%	0.089	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	120.9	174.4	-171	175.8	35.6	0	0	110.8	R605 I607 N673	Q595-R605 PolarHBondContact N-O 3.35Å; Q595-R605 PolarHBondContact O-N 2.78Å; Q595-I607 HydrophobicContact CB-CD1 4.07Å; Q595-I607 HydrophobicContact CB-CG1 4.25Å; Q595-I607 HydrophobicContact CB-CG2 4.42Å; Q595-N673 PolarHBondContact NE2-OD1 3.23Å
596	D	74	Confident	77.6	Confident	69 Å²	69	66.8 Å²	66.8	37%	0.369	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	126.9	170.1	-59.5	-40.3	0	0	0	109.4	K604	D596-K604 VanDerWaalsContact OD1-CD 3.26Å; D596-K604 WeakPolarHBondContact OD1-CD 3.31Å; D596-K604 WeakPolarHBondContact OD1-CE 3.43Å; D596-K604 IonicContact OD1-NZ 3.72Å; D596-K604 PolarHBondContact OD1-NZ 2.83Å; D596-K604 IonicContact OD2-NZ 3.6Å
597	R	60.9	Low	77.4	Confident	153 Å²	153	66.3 Å²	66.3	58%	0.577	34%	0.344	S	S	*	.			trans	-119.1	-4.6	-169.2	-118.5	179	172.3	-134.3	-8	115.7	D603	R597-D603 VanDerWaalsContact CB-O 3.25Å; R597-D603 WeakPolarHBondContact CB-O 3.48Å; R597-D603 PolarHBondContact N-O 2.66Å
598	G	55.6	Low	77.4	Confident	37 Å²	37	66.3 Å²	66.3	38%	0.381	35%	0.345	S	S	.	.	S	Bend	trans	-131.3	158.5	-176.9	0	0	0	0	0	113
599	T	51.1	Low	77.4	Confident	158 Å²	158	62 Å²	62	97%	0.969	33%	0.328	S	S	*	.	S	Bend	trans	-71.1	-20.4	167.6	48.1	0	0	0	0	112.2
600	T	50.1	Low	77.4	Confident	99 Å²	99	60.4 Å²	60.4	61%	0.607	32%	0.321	S	S	*	.	S	Bend	trans	-96.5	118.4	162.7	49.5	0	0	0	0	108.6	D602	T600-D602 PolarHBondContact O-N 3.07Å
601	G	55.9	Low	77.4	Confident	54 Å²	54	60.1 Å²	60.1	56%	0.557	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	6	-166.4	0	0	0	0	0	118	K604	G601-K604 WeakPolarHBondContact O-CG 3.47Å
602	D	55.9	Low	77.4	Confident	158 Å²	158	57.4 Å²	57.4	85%	0.845	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-27.3	178.5	-78	-30.8	0	0	0	113.8	T600 K604	T600-D602 PolarHBondContact O-N 3.07Å; D602-K604 PolarHBondContact O-N 3.43Å
603	D	60.6	Low	77.3	Confident	77 Å²	77	58.3 Å²	58.3	41%	0.412	32%	0.317	S	S	.	.			trans	-83.4	51	-173.4	-149.9	-10	0	0	0	111.5	R597 R605	R597-D603 VanDerWaalsContact CB-O 3.25Å; R597-D603 WeakPolarHBondContact CB-O 3.48Å; R597-D603 PolarHBondContact N-O 2.66Å; D603-R605 IonicContact OD1-CZ 3.85Å; D603-R605 IonicContact OD1-NE 3.03Å; D603-R605 PolarHBondContact OD1-NE 3.23Å; D603-R605 IonicContact OD1-NH2 2.6Å; D603-R605 PolarHBondContact OD1-NH2 3.06Å
604	K	69.4	Low	77.3	Confident	90 Å²	90	59.1 Å²	59.1	39%	0.391	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	131.4	175.1	-64.4	-139.4	175.7	-136.2	0	110.4	E594 D596 G601 D602	E594-K604 HydrophobicContact CG-CB 4.26Å; E594-K604 HydrophobicContact CG-CD 3.87Å; E594-K604 WeakPolarHBondContact OE1-CD 3.41Å; E594-K604 WeakPolarHBondContact OE2-CD 3.42Å; E594-K604 WeakPolarHBondContact OE2-CE 3.02Å; E594-K604 IonicContact OE2-NZ 3.16Å; E594-K604 PolarHBondContact OE2-NZ 3.47Å; D596-K604 VanDerWaalsContact OD1-CD 3.26Å; D596-K604 WeakPolarHBondContact OD1-CD 3.31Å; D596-K604 WeakPolarHBondContact OD1-CE 3.43Å; D596-K604 IonicContact OD1-NZ 3.72Å; D596-K604 PolarHBondContact OD1-NZ 2.83Å; D596-K604 IonicContact OD2-NZ 3.6Å; G601-K604 WeakPolarHBondContact O-CG 3.47Å; D602-K604 PolarHBondContact O-N 3.43Å
605	R	79.6	Confident	77.4	Confident	136 Å²	136	55.4 Å²	55.4	51%	0.513	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	129.3	175.1	-62.6	-170.1	-169.7	-140.1	-2	112.1	Q595 D603	Q595-R605 PolarHBondContact N-O 3.35Å; Q595-R605 PolarHBondContact O-N 2.78Å; D603-R605 IonicContact OD1-CZ 3.85Å; D603-R605 IonicContact OD1-NE 3.03Å; D603-R605 PolarHBondContact OD1-NE 3.23Å; D603-R605 IonicContact OD1-NH2 2.6Å; D603-R605 PolarHBondContact OD1-NH2 3.06Å
606	E	87.5	Confident	78	Confident	47 Å²	47	55.5 Å²	55.5	22%	0.22	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	140.4	173.5	-155.7	174.9	-158.2	0	0	111.5	S544 I545 G546 W592 I593	S544-E606 WeakPolarHBondContact CB-OE2 3.44Å; S544-E606 PolarHBondContact OG-OE2 3.09Å; I545-E606 VanDerWaalsContact CB-OE1 3.27Å; I545-E606 WeakPolarHBondContact CB-OE1 3.21Å; I545-E606 WeakPolarHBondContact CG1-OE1 3.42Å; I545-E606 VanDerWaalsContact N-CD 3.35Å; I545-E606 PolarHBondContact N-OE1 3.11Å; I545-E606 PolarHBondContact N-OE2 3.17Å; G546-E606 PolarHBondContact N-OE2 3.03Å; W592-E606 HydrophobicContact CB-CG 4.2Å; W592-E606 WeakPolarHBondContact CB-OE1 3.37Å; W592-E606 HydrophobicContact CE3-CG 4.02Å; I593-E606 WeakPolarHBondContact O-CA 3.3Å
607	I	90.8	Very high	79	Confident	8 Å²	8	52.2 Å²	52.2	4%	0.041	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	144.5	179.2	63.7	165.7	0	0	0	108.9	W592 I593 Q595 V609 K619	W592-I607 WeakPolarHBondContact CA-O 3.24Å; I593-I607 HydrophobicContact CB-CG1 4.37Å; I593-I607 PolarHBondContact N-O 2.84Å; I593-I607 WeakPolarHBondContact O-CG1 3.5Å; I593-I607 PolarHBondContact O-N 3.34Å; Q595-I607 HydrophobicContact CB-CD1 4.07Å; Q595-I607 HydrophobicContact CB-CG1 4.25Å; Q595-I607 HydrophobicContact CB-CG2 4.42Å; I607-V609 HydrophobicContact CD1-CG2 3.95Å; I607-V609 HydrophobicContact CG1-CG2 4.3Å; I607-K619 HydrophobicContact CD1-CD 3.95Å; I607-K619 HydrophobicContact CD1-CG 4.45Å; I607-K619 VanDerWaalsContact CG2-CE 3.49Å
608	L	94.4	Very high	80.6	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	129.2	171.4	171.6	62.4	0	0	0	108.3	A552 I560 I562 L590 W592 K619 W620	A552-L608 HydrophobicContact CB-CD1 3.95Å; A552-L608 HydrophobicContact CB-CD2 3.92Å; I560-L608 HydrophobicContact CG2-CD2 4Å; I562-L608 HydrophobicContact CD1-CD2 4.33Å; L590-L608 HydrophobicContact CB-CD1 4.18Å; L590-L608 HydrophobicContact CD1-CD1 4.1Å; W592-L608 HydrophobicContact CD2-CB 4.02Å; W592-L608 HydrophobicContact CD2-CD1 4.2Å; W592-L608 HydrophobicContact CE3-CB 3.72Å; W592-L608 HydrophobicContact CG-CD1 4.36Å; W592-L608 HydrophobicContact CH2-CB 3.86Å; W592-L608 HydrophobicContact CH2-CD2 4.18Å; W592-L608 HydrophobicContact CZ2-CB 4.18Å; W592-L608 HydrophobicContact CZ2-CD1 4.48Å; W592-L608 HydrophobicContact CZ2-CD2 4Å; W592-L608 HydrophobicContact CZ2-CG 4.47Å; W592-L608 HydrophobicContact CZ3-CB 3.65Å; L608-K619 WeakPolarHBondContact O-CA 3.36Å; L608-W620 HydrophobicContact CB-CB 4.02Å; L608-W620 HydrophobicContact CD2-CB 4.16Å; L608-W620 HydrophobicContact CD2-CG 4.5Å; L608-W620 HydrophobicContact CG-CB 4.15Å; L608-W620 HydrophobicContact CG-CG 4.5Å; L608-W620 PolarHBondContact N-O 3.07Å; L608-W620 PolarHBondContact O-N 3.35Å
609	V	95.6	Very high	82.4	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	141.9	175.9	178.6	0	0	0	0	109.1	L590 Q591 I593 I607 I617 A618 L631 F665 F667	L590-V609 CarbonylContact C-O 3.56Å; L590-V609 VanDerWaalsContact CA-O 3.23Å; L590-V609 WeakPolarHBondContact CA-O 3.29Å; Q591-V609 PolarHBondContact N-O 3.4Å; Q591-V609 PolarHBondContact O-N 2.92Å; I593-V609 HydrophobicContact CD1-CB 3.73Å; I593-V609 HydrophobicContact CD1-CG2 3.71Å; I607-V609 HydrophobicContact CD1-CG2 3.95Å; I607-V609 HydrophobicContact CG1-CG2 4.3Å; V609-I617 HydrophobicContact CG1-CG2 3.84Å; V609-A618 CarbonylContact C-O 3.57Å; V609-A618 WeakPolarHBondContact CA-O 3.42Å; V609-L631 HydrophobicContact CG1-CD1 3.99Å; V609-L631 HydrophobicContact CG2-CD1 3.98Å; V609-F665 HydrophobicContact CB-CE2 4.45Å; V609-F665 HydrophobicContact CB-CZ 4.25Å; V609-F665 HydrophobicContact CG1-CE2 4.25Å; V609-F665 HydrophobicContact CG1-CZ 4.08Å; V609-F665 WeakPolarHBondContact O-CZ 3.29Å; V609-F667 HydrophobicContact CB-CE2 4.27Å; V609-F667 HydrophobicContact CB-CZ 4.41Å; V609-F667 HydrophobicContact CG1-CE2 4.1Å; V609-F667 HydrophobicContact CG1-CZ 4.22Å; V609-F667 HydrophobicContact CG2-CE2 4.4Å; V609-F667 HydrophobicContact CG2-CZ 4.09Å
610	S	96.9	Very high	84.4	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	154.9	178.3	62.3	0	0	0	0	112.2	I560 H583 Q589 I617 A618 W620	I560-S610 WeakPolarHBondContact CD1-OG 3.45Å; H583-S610 PolarHBondContact NE2-OG 3.3Å; Q589-S610 WeakPolarHBondContact O-CA 3.2Å; S610-I617 CarbonylContact O-C 3.21Å; S610-I617 VanDerWaalsContact O-CA 3.29Å; S610-I617 WeakPolarHBondContact O-CA 3.46Å; S610-A618 PolarHBondContact N-O 2.88Å; S610-A618 PolarHBondContact O-N 2.72Å; S610-W620 PolarHBondContact OG-NE1 3.32Å
611	I	96.6	Very high	86.3	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	146.2	170.2	-165.4	165.4	0	0	0	109.9	V587 W588 Q589 I617 L634 C664 F665	V587-I611 WeakPolarHBondContact CA-O 3.32Å; W588-I611 PolarHBondContact N-O 2.98Å; Q589-I611 HydrophobicContact CB-CG2 3.81Å; Q589-I611 PolarHBondContact O-N 3.34Å; I611-I617 HydrophobicContact CB-CG1 4.3Å; I611-I617 HydrophobicContact CD1-CD1 4.01Å; I611-I617 HydrophobicContact CD1-CG1 3.87Å; I611-I617 HydrophobicContact CG1-CD1 4.5Å; I611-I617 HydrophobicContact CG1-CG1 3.8Å; I611-L634 HydrophobicContact CD1-CD1 4.16Å; I611-C664 WeakPolarHBondContact CD1-O 3.15Å; I611-F665 HydrophobicContact CB-CD1 3.79Å; I611-F665 HydrophobicContact CB-CE1 4.24Å; I611-F665 HydrophobicContact CG2-CD1 3.69Å; I611-F665 HydrophobicContact CG2-CE1 4.1Å
612	S	95.8	Very high	87.8	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	157.4	-179.4	178.8	0	0	0	0	113.1	H583 G585 P586 D614 G615 R616 G662	H583-S612 VanDerWaalsContact CG-CB 3.46Å; H583-S612 WeakPolarHBondContact ND1-CB 3.48Å; G585-S612 PolarHBondContact O-OG 3.47Å; P586-S612 WeakPolarHBondContact O-CA 3.11Å; P586-S612 WeakPolarHBondContact O-CB 3.38Å; P586-S612 PolarHBondContact O-OG 2.84Å; S612-D614 WeakPolarHBondContact CB-OD1 2.93Å; S612-D614 PolarHBondContact O-N 3.03Å; S612-D614 VanDerWaalsContact O-N 3.09Å; S612-D614 PolarHBondContact OG-N 2.79Å; S612-G615 PolarHBondContact O-N 3.06Å; S612-R616 PolarHBondContact N-O 3.39Å; S612-G662 CarbonylContact C-O 3.43Å; S612-G662 PolarHBondContact O-N 2.8Å
613	A	92.9	Very high	89	Confident	31 Å²	31	34 Å²	34	26%	0.256	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-18	167.3	0	0	0	0	0	113.9	P586 G615 P661	P586-A613 PolarHBondContact O-N 2.88Å; A613-G615 PolarHBondContact O-N 2.84Å; A613-P661 WeakPolarHBondContact O-CB 3.42Å; A613-P661 WeakPolarHBondContact O-CG 3.37Å
614	D	91.4	Very high	89.8	Confident	26 Å²	26	40.8 Å²	40.8	14%	0.139	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-3.5	172	77.5	1.6	0	0	0	114.1	H583 L584 S612 R616	H583-D614 WeakPolarHBondContact CA-OD2 3.45Å; H583-D614 IonicContact CE1-OD1 2.8Å; H583-D614 IonicContact CG-OD2 2.93Å; H583-D614 IonicContact ND1-OD1 3.47Å; H583-D614 PolarHBondContact ND1-OD1 3Å; H583-D614 VanDerWaalsContact ND1-OD1 3.16Å; H583-D614 IonicContact ND1-OD2 2.61Å; H583-D614 PolarHBondContact ND1-OD2 3.15Å; L584-D614 HydrophobicContact CB-CB 4.04Å; L584-D614 PolarHBondContact N-OD2 2.81Å; S612-D614 WeakPolarHBondContact CB-OD1 2.93Å; S612-D614 PolarHBondContact O-N 3.03Å; S612-D614 VanDerWaalsContact O-N 3.09Å; S612-D614 PolarHBondContact OG-N 2.79Å; D614-R616 VanDerWaalsContact C-N 3.33Å; D614-R616 WeakPolarHBondContact OD1-CB 3.33Å; D614-R616 PolarHBondContact OD1-N 3.44Å; D614-R616 IonicContact OD1-NE 3.43Å; D614-R616 IonicContact OD2-CZ 3.29Å; D614-R616 IonicContact OD2-NE 3.05Å; D614-R616 PolarHBondContact OD2-NE 3.22Å; D614-R616 IonicContact OD2-NH2 2.78Å; D614-R616 PolarHBondContact OD2-NH2 2.95Å
615	G	90.6	Very high	90.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	77.4	18.3	177.5	0	0	0	0	0	113.4	S612 A613 L634 Q659 A660	S612-G615 PolarHBondContact O-N 3.06Å; A613-G615 PolarHBondContact O-N 2.84Å; G615-L634 WeakPolarHBondContact O-CB 3.42Å; G615-L634 PolarHBondContact O-N 3.1Å; G615-Q659 PolarHBondContact O-NE2 3.1Å; G615-A660 WeakPolarHBondContact CA-O 3.39Å
616	R	93.1	Very high	90.9	Very high	21 Å²	21	31.8 Å²	31.8	8%	0.079	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	141.2	171.8	-57.3	-174.3	-68.1	145.8	-9.6	110.7	Q581 K582 H583 S612 D614 D630 R633	Q581-R616 PolarHBondContact O-NH1 3.16Å; Q581-R616 PolarHBondContact O-NH2 3.43Å; Q581-R616 VanDerWaalsContact O-NH2 3.1Å; K582-R616 PolarHBondContact O-NH2 2.95Å; H583-R616 PolarHBondContact CE1-O 2.87Å; S612-R616 PolarHBondContact N-O 3.39Å; D614-R616 VanDerWaalsContact C-N 3.33Å; D614-R616 WeakPolarHBondContact OD1-CB 3.33Å; D614-R616 PolarHBondContact OD1-N 3.44Å; D614-R616 IonicContact OD1-NE 3.43Å; D614-R616 IonicContact OD2-CZ 3.29Å; D614-R616 IonicContact OD2-NE 3.05Å; D614-R616 PolarHBondContact OD2-NE 3.22Å; D614-R616 IonicContact OD2-NH2 2.78Å; D614-R616 PolarHBondContact OD2-NH2 2.95Å; R616-D630 WeakPolarHBondContact CD-OD1 3.38Å; R616-D630 WeakPolarHBondContact CD-OD2 3.23Å; R616-D630 IonicContact CZ-OD1 3.4Å; R616-D630 IonicContact NH1-OD1 2.75Å; R616-D630 PolarHBondContact NH1-OD1 2.89Å; R616-R633 HydrophobicContact CG-CG 4.34Å
617	I	95.1	Very high	90.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	116.7	162.9	-60.9	173.8	0	0	0	105.4	V609 S610 I611 L631 M632 L634 Y675 A677	V609-I617 HydrophobicContact CG1-CG2 3.84Å; S610-I617 CarbonylContact O-C 3.21Å; S610-I617 VanDerWaalsContact O-CA 3.29Å; S610-I617 WeakPolarHBondContact O-CA 3.46Å; I611-I617 HydrophobicContact CB-CG1 4.3Å; I611-I617 HydrophobicContact CD1-CD1 4.01Å; I611-I617 HydrophobicContact CD1-CG1 3.87Å; I611-I617 HydrophobicContact CG1-CD1 4.5Å; I611-I617 HydrophobicContact CG1-CG1 3.8Å; I617-L631 HydrophobicContact CG2-CB 4.31Å; I617-L631 HydrophobicContact CG2-CD1 4.39Å; I617-L631 WeakPolarHBondContact O-CB 3.47Å; I617-L631 PolarHBondContact O-N 2.8Å; I617-M632 HydrophobicContact CB-CB 4.29Å; I617-M632 HydrophobicContact CD1-CB 4.37Å; I617-M632 PolarHBondContact N-O 2.55Å; I617-M632 PolarHBondContact O-N 2.93Å; I617-L634 HydrophobicContact CD1-CD1 4.3Å; I617-L634 HydrophobicContact CD1-CD2 4.23Å; I617-L634 HydrophobicContact CD1-CG 4.42Å; I617-L634 HydrophobicContact CG1-CD1 4.34Å; I617-Y675 HydrophobicContact CD1-CD2 4.48Å; I617-Y675 HydrophobicContact CD1-CE2 3.64Å; I617-Y675 HydrophobicContact CG2-CE2 4.3Å; I617-A677 HydrophobicContact CD1-CB 3.55Å
618	A	94.6	Very high	90.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	143.5	-172.6	0	0	0	0	0	111.1	V609 S610 W620	V609-A618 CarbonylContact C-O 3.57Å; V609-A618 WeakPolarHBondContact CA-O 3.42Å; S610-A618 PolarHBondContact N-O 2.88Å; S610-A618 PolarHBondContact O-N 2.72Å; A618-W620 HydrophobicContact CB-CZ2 4.47Å
619	K	93.6	Very high	90.7	Very high	21 Å²	21	37.7 Å²	37.7	9%	0.091	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	131	170.9	170	171.4	179	166.1	0	109.6	I607 L608 V621 C628 Y629 L631	I607-K619 HydrophobicContact CD1-CD 3.95Å; I607-K619 HydrophobicContact CD1-CG 4.45Å; I607-K619 VanDerWaalsContact CG2-CE 3.49Å; L608-K619 WeakPolarHBondContact O-CA 3.36Å; K619-V621 HydrophobicContact CG-CG2 4.3Å; K619-C628 CarbonylContact O-C 3.48Å; K619-Y629 PolarHBondContact N-O 3.2Å; K619-Y629 PolarHBondContact O-N 2.93Å; K619-L631 HydrophobicContact CB-CD1 3.9Å; K619-L631 HydrophobicContact CB-CD2 3.87Å; K619-L631 HydrophobicContact CB-CG 3.63Å; K619-L631 HydrophobicContact CD-CD2 4Å
620	W	92.9	Very high	90.5	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.008	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	133.8	-179.7	-59	87.2	0	0	0	109.6	I560 S576 L608 S610 A618 L626 D627 C628	I560-W620 HydrophobicContact CD1-CD2 4.49Å; I560-W620 HydrophobicContact CD1-CZ2 4Å; S576-W620 VanDerWaalsContact CB-CZ3 3.45Å; L608-W620 HydrophobicContact CB-CB 4.02Å; L608-W620 HydrophobicContact CD2-CB 4.16Å; L608-W620 HydrophobicContact CD2-CG 4.5Å; L608-W620 HydrophobicContact CG-CB 4.15Å; L608-W620 HydrophobicContact CG-CG 4.5Å; L608-W620 PolarHBondContact N-O 3.07Å; L608-W620 PolarHBondContact O-N 3.35Å; S610-W620 PolarHBondContact OG-NE1 3.32Å; A618-W620 HydrophobicContact CB-CZ2 4.47Å; W620-L626 HydrophobicContact CB-CD2 4.12Å; W620-L626 HydrophobicContact CE3-CB 4.03Å; W620-L626 HydrophobicContact CE3-CD2 4.22Å; W620-L626 HydrophobicContact CZ3-CB 4.32Å; W620-D627 CarbonylContact C-O 3.55Å; W620-D627 WeakPolarHBondContact CA-O 3.28Å; W620-C628 HydrophobicContact CD2-CB 4.36Å; W620-C628 HydrophobicContact CE3-CB 3.86Å; W620-C628 HydrophobicContact CH2-CB 3.78Å; W620-C628 HydrophobicContact CZ2-CB 4.26Å; W620-C628 HydrophobicContact CZ3-CB 3.57Å
621	V	88.8	Confident	90.2	Very high	35 Å²	35	40.5 Å²	40.5	21%	0.212	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	116.8	-179.5	-173.4	0	0	0	0	108.5	K619 R623 D627 Y629	K619-V621 HydrophobicContact CG-CG2 4.3Å; V621-R623 HydrophobicContact CG1-CG 4.13Å; V621-R623 PolarHBondContact O-N 2.88Å; V621-D627 HydrophobicContact CB-CB 4.43Å; V621-D627 PolarHBondContact N-O 3.06Å; V621-D627 PolarHBondContact O-N 2.93Å; V621-Y629 HydrophobicContact CG2-CD2 4.15Å; V621-Y629 HydrophobicContact CG2-CE2 4.05Å
622	I	86.9	Confident	90	Very high	73 Å²	73	40.5 Å²	40.5	37%	0.374	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	124.5	170.6	-62.7	166.1	0	0	0	108.5	L550 I562 L574 W592	L550-I622 HydrophobicContact CD1-CD1 4.2Å; I562-I622 HydrophobicContact CD1-CD1 4.07Å; I562-I622 HydrophobicContact CD1-CG1 4.04Å; L574-I622 HydrophobicContact CD1-CB 4.35Å; L574-I622 HydrophobicContact CD1-CG1 3.92Å; L574-I622 HydrophobicContact CD1-CG2 3.73Å; W592-I622 HydrophobicContact CH2-CD1 3.63Å; W592-I622 HydrophobicContact CH2-CG1 4.29Å; W592-I622 HydrophobicContact CZ3-CD1 4.13Å
623	R	81.2	Confident	89.8	Confident	145 Å²	145	46.5 Å²	46.5	55%	0.547	22%	0.219	S	C	.	.	S	Bend	trans	-136.6	-107.4	167.2	-64.3	-165.6	-179.6	128.1	-10	110.9	V621 G625 D627 Y629	V621-R623 HydrophobicContact CG1-CG 4.13Å; V621-R623 PolarHBondContact O-N 2.88Å; R623-G625 VanDerWaalsContact C-N 3.29Å; R623-G625 PolarHBondContact N-O 2.81Å; R623-D627 VanDerWaalsContact CD-OD2 3.29Å; R623-D627 WeakPolarHBondContact CD-OD2 3.26Å; R623-D627 IonicContact CZ-OD2 2.65Å; R623-D627 IonicContact NE-OD2 2.63Å; R623-D627 IonicContact NH1-OD2 3.46Å; R623-D627 PolarHBondContact NH1-OD2 3.3Å; R623-Y629 PolarHBondContact NH1-OH 3.14Å; R623-Y629 VanDerWaalsContact NH1-OH 3.09Å
624	K	78.8	Confident	89.7	Confident	220 Å²	220	45 Å²	45	96%	0.957	21%	0.207	S	C	*	.	S	Bend	trans	-91.2	4	167.8	-65.5	-173.2	174.6	-174	0	112.4
625	G	83.4	Confident	89.6	Confident	23 Å²	23	48.7 Å²	48.7	24%	0.237	22%	0.221	C	C	.	.	S	Bend	trans	-176.2	-165.6	-175.1	0	0	0	0	0	108.4	R623	R623-G625 VanDerWaalsContact C-N 3.29Å; R623-G625 PolarHBondContact N-O 2.81Å
626	L	87.6	Confident	89.3	Confident	14 Å²	14	53 Å²	53	7%	0.073	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	91.8	174.2	-88	164.6	0	0	0	110.8	I562 L574 W620	I562-L626 HydrophobicContact CD1-CD1 4.37Å; I562-L626 HydrophobicContact CD1-CD2 3.89Å; L574-L626 HydrophobicContact CB-CD1 3.8Å; L574-L626 HydrophobicContact CB-CG 4.05Å; L574-L626 HydrophobicContact CD1-CG 4.47Å; W620-L626 HydrophobicContact CB-CD2 4.12Å; W620-L626 HydrophobicContact CE3-CB 4.03Å; W620-L626 HydrophobicContact CE3-CD2 4.22Å; W620-L626 HydrophobicContact CZ3-CB 4.32Å
627	D	87.4	Confident	88.4	Confident	57 Å²	57	53.8 Å²	53.8	31%	0.305	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	126.8	173.6	-69.6	-19.4	0	0	0	109.7	W620 V621 R623 Y629	W620-D627 CarbonylContact C-O 3.55Å; W620-D627 WeakPolarHBondContact CA-O 3.28Å; V621-D627 HydrophobicContact CB-CB 4.43Å; V621-D627 PolarHBondContact N-O 3.06Å; V621-D627 PolarHBondContact O-N 2.93Å; R623-D627 VanDerWaalsContact CD-OD2 3.29Å; R623-D627 WeakPolarHBondContact CD-OD2 3.26Å; R623-D627 IonicContact CZ-OD2 2.65Å; R623-D627 IonicContact NE-OD2 2.63Å; R623-D627 IonicContact NH1-OD2 3.46Å; R623-D627 PolarHBondContact NH1-OD2 3.3Å; D627-Y629 HydrophobicContact CB-CE2 3.84Å
628	C	90.9	Very high	86.8	Confident	16 Å²	16	59.4 Å²	59.4	11%	0.108	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	143.4	178.7	179.6	0	0	0	0	111.6	Q581 K619 W620	Q581-C628 HydrophobicContact CB-CB 3.97Å; Q581-C628 PolarHBondContact OE1-O 2.61Å; K619-C628 CarbonylContact O-C 3.48Å; W620-C628 HydrophobicContact CD2-CB 4.36Å; W620-C628 HydrophobicContact CE3-CB 3.86Å; W620-C628 HydrophobicContact CH2-CB 3.78Å; W620-C628 HydrophobicContact CZ2-CB 4.26Å; W620-C628 HydrophobicContact CZ3-CB 3.57Å
629	Y	90.9	Very high	84.7	Confident	107 Å²	107	64.7 Å²	64.7	42%	0.42	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	123	174	-60	-86.9	0	0	0	110.6	K619 V621 R623 D627 L631	K619-Y629 PolarHBondContact N-O 3.2Å; K619-Y629 PolarHBondContact O-N 2.93Å; V621-Y629 HydrophobicContact CG2-CD2 4.15Å; V621-Y629 HydrophobicContact CG2-CE2 4.05Å; R623-Y629 PolarHBondContact NH1-OH 3.14Å; R623-Y629 VanDerWaalsContact NH1-OH 3.09Å; D627-Y629 HydrophobicContact CB-CE2 3.84Å; Y629-L631 PolarHBondContact O-N 3.4Å
630	D	90.9	Very high	82.2	Confident	44 Å²	44	69.9 Å²	69.9	24%	0.235	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	114.9	173.9	-74.5	2.7	0	0	0	110.8	R616 R633	R616-D630 WeakPolarHBondContact CD-OD1 3.38Å; R616-D630 WeakPolarHBondContact CD-OD2 3.23Å; R616-D630 IonicContact CZ-OD1 3.4Å; R616-D630 IonicContact NH1-OD1 2.75Å; R616-D630 PolarHBondContact NH1-OD1 2.89Å; D630-R633 HydrophobicContact CB-CG 4.45Å; D630-R633 WeakPolarHBondContact OD2-CD 3.37Å; D630-R633 IonicContact OD2-NE 3.18Å
631	L	91	Very high	79.6	Confident	15 Å²	15	73.7 Å²	73.7	8%	0.079	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	-35.8	172.6	-72.4	-178.8	0	0	0	112.7	V609 I617 K619 Y629 N692	V609-L631 HydrophobicContact CG1-CD1 3.99Å; V609-L631 HydrophobicContact CG2-CD1 3.98Å; I617-L631 HydrophobicContact CG2-CB 4.31Å; I617-L631 HydrophobicContact CG2-CD1 4.39Å; I617-L631 WeakPolarHBondContact O-CB 3.47Å; I617-L631 PolarHBondContact O-N 2.8Å; K619-L631 HydrophobicContact CB-CD1 3.9Å; K619-L631 HydrophobicContact CB-CD2 3.87Å; K619-L631 HydrophobicContact CB-CG 3.63Å; K619-L631 HydrophobicContact CD-CD2 4Å; Y629-L631 PolarHBondContact O-N 3.4Å; L631-N692 VanDerWaalsContact O-CA 3.3Å; L631-N692 WeakPolarHBondContact O-CA 3.46Å; L631-N692 WeakPolarHBondContact O-CB 3.21Å
632	M	91.9	Very high	77.2	Confident	1 Å²	1	79.8 Å²	79.8	1%	0.005	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	140.8	-179.7	176.3	57.4	67.2	0	0	109.5	I617 L634 Y675 C687 Y691 N692 Y695	I617-M632 HydrophobicContact CB-CB 4.29Å; I617-M632 HydrophobicContact CD1-CB 4.37Å; I617-M632 PolarHBondContact N-O 2.55Å; I617-M632 PolarHBondContact O-N 2.93Å; M632-L634 HydrophobicContact CG-CD2 4.07Å; M632-Y675 VanDerWaalsContact CB-OH 3.29Å; M632-Y675 WeakPolarHBondContact CB-OH 3.4Å; M632-C687 HydrophobicContact CE-CB 4.22Å; M632-Y691 WeakPolarHBondContact CE-O 3.37Å; M632-N692 VanDerWaalsContact SD-O 3.36Å; M632-Y695 HydrophobicContact CE-CD1 4.38Å; M632-Y695 HydrophobicContact CG-CE1 4.46Å; M632-Y695 HydrophobicContact SD-CD1 4.09Å; M632-Y695 HydrophobicContact SD-CE1 3.93Å
633	R	92	Very high	75	Confident	125 Å²	125	86 Å²	86	47%	0.472	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	103.9	173.5	-65.4	-170.3	67	164.8	2.2	109.2	R616 D630 K635 Q659	R616-R633 HydrophobicContact CG-CG 4.34Å; D630-R633 HydrophobicContact CB-CG 4.45Å; D630-R633 WeakPolarHBondContact OD2-CD 3.37Å; D630-R633 IonicContact OD2-NE 3.18Å; R633-K635 PolarHBondContact O-N 3.46Å; R633-Q659 VanDerWaalsContact CZ-OE1 3.3Å
634	L	91.1	Very high	73.1	Confident	0 Å²	0	89.2 Å²	89.2	0%	0	44%	0.441	C	S	.	.			trans	-65.9	112.5	-178.6	-58.4	172.1	0	0	0	109.2	I611 G615 I617 M632 Q659 A660 A677 T679 Y695	I611-L634 HydrophobicContact CD1-CD1 4.16Å; G615-L634 WeakPolarHBondContact O-CB 3.42Å; G615-L634 PolarHBondContact O-N 3.1Å; I617-L634 HydrophobicContact CD1-CD1 4.3Å; I617-L634 HydrophobicContact CD1-CD2 4.23Å; I617-L634 HydrophobicContact CD1-CG 4.42Å; I617-L634 HydrophobicContact CG1-CD1 4.34Å; M632-L634 HydrophobicContact CG-CD2 4.07Å; L634-Q659 CarbonylContact O-C 3.53Å; L634-Q659 WeakPolarHBondContact O-CA 3.18Å; L634-Q659 WeakPolarHBondContact O-CB 3.24Å; L634-Q659 PolarHBondContact O-NE2 2.9Å; L634-A660 HydrophobicContact CB-CB 4.37Å; L634-A660 WeakPolarHBondContact CB-O 3.26Å; L634-A660 PolarHBondContact O-N 2.88Å; L634-A677 HydrophobicContact CD2-CB 4.27Å; L634-T679 HydrophobicContact CD1-CG2 4.32Å; L634-Y695 HydrophobicContact CD2-CE1 4.12Å
635	K	88.8	Confident	71.1	Confident	103 Å²	103	81.7 Å²	81.7	45%	0.448	43%	0.426	S	S	.	.	B	Isolated β-bridge	trans	-97.2	137.6	177.8	-64.8	153.8	-173.9	173.1	0	109	R633 T637 R658 E693 Y695	R633-K635 PolarHBondContact O-N 3.46Å; K635-T637 PolarHBondContact O-N 3.26Å; K635-R658 WeakPolarHBondContact CA-O 3.4Å; K635-E693 PolarHBondContact NZ-O 2.94Å; K635-Y695 PolarHBondContact N-OH 3.38Å; K635-Y695 PolarHBondContact O-OH 3.21Å
636	R	84.4	Confident	69.3	Low	91 Å²	91	84.8 Å²	84.8	34%	0.343	46%	0.458	S	S	.	.			trans	-60.3	134.1	174.2	-62.6	-167.9	173.6	-117.3	2	110.8	T638 S657 R658 Q659 A660 E681	R636-T638 PolarHBondContact O-N 3.49Å; R636-S657 WeakPolarHBondContact CD-O 3.37Å; R636-S657 PolarHBondContact NE-O 2.77Å; R636-R658 PolarHBondContact N-O 2.99Å; R636-Q659 WeakPolarHBondContact CG-O 3.43Å; R636-Q659 PolarHBondContact NE-O 3.09Å; R636-A660 HydrophobicContact CG-CB 4.04Å; R636-E681 WeakPolarHBondContact CA-OE2 3.44Å; R636-E681 WeakPolarHBondContact CD-OE1 3.29Å; R636-E681 WeakPolarHBondContact CG-OE1 3.11Å; R636-E681 IonicContact CZ-OE1 2.65Å; R636-E681 IonicContact NE-OE1 3.27Å; R636-E681 IonicContact NH1-OE1 2.69Å; R636-E681 PolarHBondContact NH1-OE1 2.75Å
637	T	73.9	Confident	66.9	Low	37 Å²	37	92.9 Å²	92.9	23%	0.227	50%	0.495	C	S	.	.			trans	-98.4	88.7	-175.7	-55.8	0	0	0	0	110.1	K635 T639 E681	K635-T637 PolarHBondContact O-N 3.26Å; T637-T639 PolarHBondContact O-N 3.29Å; T637-E681 PolarHBondContact N-OE2 2.86Å
638	T	61.9	Low	64.7	Low	119 Å²	119	100.1 Å²	100.1	73%	0.73	52%	0.524	S	S	*	.			trans	-56.7	123	-179.4	49.1	0	0	0	0	111.5	R636 T640	R636-T638 PolarHBondContact O-N 3.49Å; T638-T640 PolarHBondContact O-N 2.94Å; T638-T640 VanDerWaalsContact O-N 3.1Å
639	T	51.1	Low	62.3	Low	111 Å²	111	107.6 Å²	107.6	68%	0.681	56%	0.557	S	S	*	*			trans	-72.6	103.8	174.2	40.1	0	0	0	0	109.4	T637 S641	T637-T639 PolarHBondContact O-N 3.29Å; T639-S641 PolarHBondContact O-N 2.92Å
640	T	40.6	Very low	59.8	Low	129 Å²	129	111.3 Å²	111.3	79%	0.791	58%	0.576	S	S	*	*			trans	-67.8	76.6	168.4	39.2	0	0	0	0	110.3	T638 N642	T638-T640 PolarHBondContact O-N 2.94Å; T638-T640 VanDerWaalsContact O-N 3.1Å; T640-N642 PolarHBondContact O-N 3.34Å
641	S	37.4	Very low	57.5	Low	83 Å²	83	118.6 Å²	118.6	58%	0.58	61%	0.605	S	S	*	*			trans	-55.2	126.7	166.9	67.3	0	0	0	0	108.4	T639 R643	T639-S641 PolarHBondContact O-N 2.92Å; S641-R643 VanDerWaalsContact C-N 3.25Å; S641-R643 PolarHBondContact O-N 2.89Å
642	N	38.8	Very low	54.9	Low	163 Å²	163	124.5 Å²	124.5	87%	0.872	64%	0.637	S	S	*	*			trans	-68	81	-179	-88.6	-37.5	0	0	0	111.1	T640 K644	T640-N642 PolarHBondContact O-N 3.34Å; N642-K644 VanDerWaalsContact C-N 3.29Å; N642-K644 PolarHBondContact O-N 2.82Å
643	R	41.1	Very low	52.6	Low	202 Å²	202	132.4 Å²	132.4	76%	0.762	67%	0.674	S	S	*	*			trans	-68.9	84.2	172	-76.8	-174	171.3	-179.5	-4	110.1	S641 G645	S641-R643 VanDerWaalsContact C-N 3.25Å; S641-R643 PolarHBondContact O-N 2.89Å; R643-G645 PolarHBondContact O-N 3.46Å
644	K	41.5	Very low	50	Low	213 Å²	213	130 Å²	130	93%	0.926	68%	0.681	S	S	*	*			trans	-65.6	108.4	155.9	-77	-173.9	175.3	-178.6	0	108	N642	N642-K644 VanDerWaalsContact C-N 3.29Å; N642-K644 PolarHBondContact O-N 2.82Å
645	G	36.8	Very low	47.5	Very low	63 Å²	63	138.8 Å²	138.8	65%	0.649	73%	0.726	S	S	*	*	S	Bend	trans	136	110.8	179.4	0	0	0	0	0	110.6	R643 E647	R643-G645 PolarHBondContact O-N 3.46Å; G645-E647 PolarHBondContact O-N 2.68Å
646	G	44.7	Very low	45.7	Very low	88 Å²	88	139.6 Å²	139.6	91%	0.907	73%	0.734	S	S	*	*			trans	-87	100.6	179.4	0	0	0	0	0	111.6
647	E	37.3	Very low	44.3	Very low	183 Å²	183	138.6 Å²	138.6	86%	0.855	74%	0.741	S	S	*	*			trans	-115.7	149.1	160.7	-68.1	-159.4	125.5	0	0	110	G645 E649	G645-E647 PolarHBondContact O-N 2.68Å; E647-E649 PolarHBondContact O-N 3.37Å
648	K	42.7	Very low	44.1	Very low	210 Å²	210	146.8 Å²	146.8	91%	0.913	77%	0.768	S	S	*	*			trans	-67.6	118.8	-174.5	-73	179.3	176.6	176.6	0	110.9	K650	K648-K650 PolarHBondContact O-N 3.03Å; K648-K650 VanDerWaalsContact O-N 3.14Å
649	E	38.7	Very low	45.2	Very low	173 Å²	173	142.4 Å²	142.4	81%	0.808	74%	0.739	S	S	*	*			trans	-61.1	115.1	172.7	-62.3	-175.1	137.3	0	0	110.3	E647	E647-E649 PolarHBondContact O-N 3.37Å
650	K	39.6	Very low	46.9	Very low	185 Å²	185	137.1 Å²	137.1	80%	0.804	71%	0.707	S	S	*	*			trans	-72.3	130.4	164.7	-84.3	-173.8	172.9	-175.9	0	108.4	K648 D652	K648-K650 PolarHBondContact O-N 3.03Å; K648-K650 VanDerWaalsContact O-N 3.14Å; K650-D652 PolarHBondContact O-N 2.78Å
651	K	42.2	Very low	49.4	Very low	196 Å²	196	131.9 Å²	131.9	85%	0.852	68%	0.675	S	S	*	*			trans	-82.9	52	-170	-160.5	-176.9	178.7	-179.6	0	112.7
652	D	35.7	Very low	52.1	Low	140 Å²	140	127.9 Å²	127.9	75%	0.749	65%	0.647	S	S	*	*			trans	-103.7	59.5	173.5	-64.8	-54.2	0	0	0	109.4	K650 A654	K650-D652 PolarHBondContact O-N 2.78Å; D652-A654 PolarHBondContact O-N 2.86Å
653	E	45.2	Very low	54.8	Low	167 Å²	167	121.3 Å²	121.3	78%	0.78	61%	0.612	S	S	*	*			trans	-65.1	99.5	166.7	-74.5	-168.9	154.9	0	0	108.5
654	A	35.6	Very low	57.4	Low	74 Å²	74	111.7 Å²	111.7	61%	0.612	58%	0.576	S	S	*	*			trans	-54.9	142	173.8	0	0	0	0	0	110.6	D652 I656	D652-A654 PolarHBondContact O-N 2.86Å; A654-I656 HydrophobicContact CB-CD1 4.35Å; A654-I656 HydrophobicContact CB-CG1 4.22Å; A654-I656 PolarHBondContact O-N 3.19Å
655	L	39.2	Very low	60	Low	184 Å²	184	101.6 Å²	101.6	96%	0.963	53%	0.532	S	S	*	.			trans	-75.5	45.2	-170.6	-156.3	112.4	0	0	0	113.6
656	I	50.6	Low	62.8	Low	120 Å²	120	99.3 Å²	99.3	62%	0.615	51%	0.506	S	S	*	.			trans	-67.7	141	178.1	-59.1	171.6	0	0	0	108.8	A654 R658	A654-I656 HydrophobicContact CB-CD1 4.35Å; A654-I656 HydrophobicContact CB-CG1 4.22Å; A654-I656 PolarHBondContact O-N 3.19Å; I656-R658 PolarHBondContact O-N 3.21Å
657	S	56.6	Low	65.2	Low	70 Å²	70	96 Å²	96	49%	0.49	47%	0.467	S	S	.	.			trans	-53.7	124.5	177	179.4	0	0	0	0	110.9	R636 Q659	R636-S657 WeakPolarHBondContact CD-O 3.37Å; R636-S657 PolarHBondContact NE-O 2.77Å; S657-Q659 PolarHBondContact O-N 3.14Å; S657-Q659 VanDerWaalsContact O-N 3.16Å; S657-Q659 PolarHBondContact OG-N 3.22Å
658	R	69.9	Low	67.8	Low	209 Å²	209	88.4 Å²	88.4	79%	0.789	43%	0.431	S	S	*	.	S	Bend	trans	-66.4	-11.5	174	-69.9	-175.2	169.8	-159.1	-6.3	113	K635 R636 I656	K635-R658 WeakPolarHBondContact CA-O 3.4Å; R636-R658 PolarHBondContact N-O 2.99Å; I656-R658 PolarHBondContact O-N 3.21Å
659	Q	82.9	Confident	70	Confident	27 Å²	27	81.6 Å²	81.6	13%	0.126	41%	0.408	C	S	.	.	B	Isolated β-bridge	trans	-95.9	138.8	-179.1	-63.5	-125.1	-134.7	0	0	111.8	G615 R633 L634 R636 S657	G615-Q659 PolarHBondContact O-NE2 3.1Å; R633-Q659 VanDerWaalsContact CZ-OE1 3.3Å; L634-Q659 CarbonylContact O-C 3.53Å; L634-Q659 WeakPolarHBondContact O-CA 3.18Å; L634-Q659 WeakPolarHBondContact O-CB 3.24Å; L634-Q659 PolarHBondContact O-NE2 2.9Å; R636-Q659 WeakPolarHBondContact CG-O 3.43Å; R636-Q659 PolarHBondContact NE-O 3.09Å; S657-Q659 PolarHBondContact O-N 3.14Å; S657-Q659 VanDerWaalsContact O-N 3.16Å; S657-Q659 PolarHBondContact OG-N 3.22Å
660	A	87.6	Confident	72.3	Confident	0 Å²	0	81 Å²	81	0%	0	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-90.2	123.2	170.4	0	0	0	0	0	108.4	G615 L634 R636 G662 T679 E681	G615-A660 WeakPolarHBondContact CA-O 3.39Å; L634-A660 HydrophobicContact CB-CB 4.37Å; L634-A660 WeakPolarHBondContact CB-O 3.26Å; L634-A660 PolarHBondContact O-N 2.88Å; R636-A660 HydrophobicContact CG-CB 4.04Å; A660-G662 PolarHBondContact O-N 3.01Å; A660-T679 HydrophobicContact CB-CG2 4.31Å; A660-E681 HydrophobicContact CB-CG 4.25Å
661	P	92.7	Very high	74.6	Confident	19 Å²	19	74.7 Å²	74.7	12%	0.123	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-59.5	130.9	176.1	-31.1	42.5	0	0	0	111.6	A613 T679 E680	A613-P661 WeakPolarHBondContact O-CB 3.42Å; A613-P661 WeakPolarHBondContact O-CG 3.37Å; P661-T679 WeakPolarHBondContact O-CA 3.37Å; P661-E680 HydrophobicContact CB-CB 4.08Å; P661-E680 WeakPolarHBondContact CG-OE2 3.32Å; P661-E680 PolarHBondContact O-N 3.24Å
662	G	94.1	Very high	76.7	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	133.2	178.5	0	0	0	0	0	110.6	S612 A660	S612-G662 CarbonylContact C-O 3.43Å; S612-G662 PolarHBondContact O-N 2.8Å; A660-G662 PolarHBondContact O-N 3.01Å
663	M	95.3	Very high	79.2	Confident	24 Å²	24	62.5 Å²	62.5	12%	0.118	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	-47.9	-174.1	-65.9	-56.3	-63.9	0	0	112.2	W588 G678 V706 Y707	W588-M663 WeakPolarHBondContact CB-O 3.35Å; W588-M663 HydrophobicContact CD2-CE 4.16Å; W588-M663 HydrophobicContact CG-CE 4.19Å; W588-M663 HydrophobicContact CG-SD 4.36Å; M663-G678 PolarHBondContact N-O 3.19Å; M663-V706 WeakPolarHBondContact CB-O 3Å; M663-Y707 HydrophobicContact CE-CD1 3.96Å; M663-Y707 HydrophobicContact CE-CE1 4.03Å
664	C	96.1	Very high	81.5	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.007	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	163.2	-175.5	63.6	0	0	0	0	111.9	Q589 I611 A677 G678 Y707 K708 V709	Q589-C664 VanDerWaalsContact OE1-CA 3.24Å; I611-C664 WeakPolarHBondContact CD1-O 3.15Å; C664-A677 CarbonylContact O-C 3.58Å; C664-A677 WeakPolarHBondContact O-CA 3.4Å; C664-G678 PolarHBondContact O-N 2.75Å; C664-Y707 WeakPolarHBondContact CB-O 3.15Å; C664-K708 VanDerWaalsContact SG-C 3.59Å; C664-V709 PolarHBondContact SG-N 3.44Å
665	F	96.9	Very high	84.3	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	161.5	171.1	66.3	-91.5	0	0	0	112.7	Q589 Q591 I593 V609 I611 F667 L676	Q589-F665 HydrophobicContact CB-CD1 4.21Å; Q589-F665 HydrophobicContact CB-CE1 3.99Å; Q589-F665 HydrophobicContact CG-CD1 4.23Å; Q589-F665 HydrophobicContact CG-CE1 3.88Å; Q589-F665 HydrophobicContact CG-CZ 4.31Å; Q589-F665 PolarHBondContact NE2-O 3.32Å; Q589-F665 PolarHBondContact OE1-O 3.21Å; Q591-F665 HydrophobicContact CB-CE2 3.7Å; Q591-F665 HydrophobicContact CB-CZ 3.64Å; I593-F665 HydrophobicContact CD1-CE2 4.44Å; V609-F665 HydrophobicContact CB-CE2 4.45Å; V609-F665 HydrophobicContact CB-CZ 4.25Å; V609-F665 HydrophobicContact CG1-CE2 4.25Å; V609-F665 HydrophobicContact CG1-CZ 4.08Å; V609-F665 WeakPolarHBondContact O-CZ 3.29Å; I611-F665 HydrophobicContact CB-CD1 3.79Å; I611-F665 HydrophobicContact CB-CE1 4.24Å; I611-F665 HydrophobicContact CG2-CD1 3.69Å; I611-F665 HydrophobicContact CG2-CE1 4.1Å; F665-F667 AromaticContact CD2-CD2 3.71Å; F665-F667 HydrophobicContact CD2-CD2 3.71Å; F665-F667 AromaticContact CD2-CE2 3.59Å; F665-F667 HydrophobicContact CD2-CE2 3.59Å; F665-F667 AromaticContact CE2-CD2 3.77Å; F665-F667 HydrophobicContact CE2-CD2 3.77Å; F665-F667 AromaticContact CE2-CE2 3.55Å; F665-F667 HydrophobicContact CE2-CE2 3.55Å; F665-L676 CarbonylContact C-O 3.35Å; F665-L676 WeakPolarHBondContact CA-O 3.43Å; F665-L676 VanDerWaalsContact CB-O 3.23Å; F665-L676 WeakPolarHBondContact CB-O 3.21Å
666	S	95.8	Very high	87	Confident	16 Å²	16	43.6 Å²	43.6	11%	0.112	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	121.9	175.7	-153.6	0	0	0	0	111.5	Y675 L676 V709 W711	S666-Y675 CarbonylContact O-C 3.4Å; S666-Y675 VanDerWaalsContact O-CA 3.26Å; S666-Y675 WeakPolarHBondContact O-CA 3.46Å; S666-Y675 WeakPolarHBondContact O-CB 3.41Å; S666-L676 PolarHBondContact N-O 2.57Å; S666-L676 PolarHBondContact O-N 2.88Å; S666-V709 WeakPolarHBondContact CB-O 3.49Å; S666-W711 PolarHBondContact O-NE1 3.24Å
667	F	94.6	Very high	89.2	Confident	19 Å²	19	37.9 Å²	37.9	8%	0.083	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	139.3	177.4	-82.9	-97.9	0	0	0	111.4	I593 V609 F665 T672 Y675	I593-F667 HydrophobicContact CD1-CD2 3.67Å; I593-F667 HydrophobicContact CD1-CE1 4.49Å; I593-F667 HydrophobicContact CD1-CE2 3.43Å; I593-F667 VanDerWaalsContact CD1-CE2 3.43Å; I593-F667 HydrophobicContact CD1-CG 4.34Å; I593-F667 HydrophobicContact CD1-CZ 3.89Å; I593-F667 HydrophobicContact CG1-CD1 4.36Å; I593-F667 HydrophobicContact CG1-CD2 3.75Å; I593-F667 HydrophobicContact CG1-CE2 3.99Å; I593-F667 HydrophobicContact CG1-CG 3.97Å; I593-F667 HydrophobicContact CG1-CZ 4.38Å; I593-F667 HydrophobicContact CG2-CD1 4.18Å; I593-F667 HydrophobicContact CG2-CE1 4.49Å; I593-F667 HydrophobicContact CG2-CG 4.42Å; V609-F667 HydrophobicContact CB-CE2 4.27Å; V609-F667 HydrophobicContact CB-CZ 4.41Å; V609-F667 HydrophobicContact CG1-CE2 4.1Å; V609-F667 HydrophobicContact CG1-CZ 4.22Å; V609-F667 HydrophobicContact CG2-CE2 4.4Å; V609-F667 HydrophobicContact CG2-CZ 4.09Å; F665-F667 AromaticContact CD2-CD2 3.71Å; F665-F667 HydrophobicContact CD2-CD2 3.71Å; F665-F667 AromaticContact CD2-CE2 3.59Å; F665-F667 HydrophobicContact CD2-CE2 3.59Å; F665-F667 AromaticContact CE2-CD2 3.77Å; F665-F667 HydrophobicContact CE2-CD2 3.77Å; F665-F667 AromaticContact CE2-CE2 3.55Å; F665-F667 HydrophobicContact CE2-CE2 3.55Å; F667-T672 WeakPolarHBondContact CD1-O 3.44Å; F667-T672 WeakPolarHBondContact CE1-O 3.26Å; F667-Y675 HydrophobicContact CD1-CD1 4.47Å; F667-Y675 AromaticContact CE1-CD1 3.8Å; F667-Y675 HydrophobicContact CE1-CD1 3.8Å; F667-Y675 HydrophobicContact CE1-CG 4.26Å; F667-Y675 HydrophobicContact CE2-CG 4.33Å; F667-Y675 AromaticContact CZ-CD1 3.79Å; F667-Y675 HydrophobicContact CZ-CD1 3.79Å; F667-Y675 HydrophobicContact CZ-CG 4.07Å
668	H	92.8	Very high	91.1	Very high	22 Å²	22	34.6 Å²	34.6	10%	0.102	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	127.8	-177.9	175.5	-102.9	0	0	0	110.7	K670 D671 I674 W711 H716	H668-K670 PolarHBondContact O-N 2.89Å; H668-D671 WeakPolarHBondContact ND1-CB 3.21Å; H668-D671 PolarHBondContact ND1-N 3.03Å; H668-D671 VanDerWaalsContact ND1-N 3.17Å; H668-D671 CarbonylContact O-C 3.6Å; H668-D671 PolarHBondContact O-N 3.33Å; H668-I674 HydrophobicContact CB-CB 4.2Å; H668-I674 HydrophobicContact CB-CG2 4.09Å; H668-I674 PolarHBondContact N-O 3.42Å; H668-W711 HydrophobicContact CB-CZ2 4.14Å; H668-W711 AromaticContact CD2-CH2 3.9Å; H668-W711 AromaticContact CD2-CZ2 3.99Å; H668-W711 AromaticContact CD2-CZ3 3.92Å; H668-H716 PolarHBondContact NE2-O 2.87Å
669	P	88.2	Confident	92.3	Very high	67 Å²	67	24.6 Å²	24.6	44%	0.435	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-23.4	-168.3	-28.1	34.9	0	0	0	116.2	W711	P669-W711 HydrophobicContact CG-CB 3.85Å; P669-W711 HydrophobicContact CG-CG 4.44Å
670	K	86.8	Confident	92.8	Very high	160 Å²	160	27.7 Å²	27.7	70%	0.696	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.1	-8	177.1	-78.5	-176.5	172.7	143.2	0	114.9	H668 H716	H668-K670 PolarHBondContact O-N 2.89Å; K670-H716 VanDerWaalsContact CD-CD2 3.41Å; K670-H716 WeakPolarHBondContact CD-CD2 3.19Å; K670-H716 VanDerWaalsContact CE-CD2 3.49Å; K670-H716 WeakPolarHBondContact CE-CD2 3.47Å; K670-H716 WeakPolarHBondContact CE-NE2 3.45Å; K670-H716 PolarHBondContact NZ-CD2 3.33Å; K670-H716 PolarHBondContact NZ-NE2 3.2Å
671	D	87.8	Confident	92.9	Very high	53 Å²	53	30.2 Å²	30.2	28%	0.283	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	100.5	-178.2	-175.8	-5	0	0	0	110.7	H668 N673 I674	H668-D671 WeakPolarHBondContact ND1-CB 3.21Å; H668-D671 PolarHBondContact ND1-N 3.03Å; H668-D671 VanDerWaalsContact ND1-N 3.17Å; H668-D671 CarbonylContact O-C 3.6Å; H668-D671 PolarHBondContact O-N 3.33Å; D671-N673 PolarHBondContact O-N 2.97Å; D671-N673 VanDerWaalsContact O-N 3.17Å; D671-N673 WeakPolarHBondContact OD1-CA 3.28Å; D671-N673 WeakPolarHBondContact OD1-CB 3.48Å; D671-N673 PolarHBondContact OD1-N 3.28Å; D671-I674 HydrophobicContact CB-CB 4.43Å; D671-I674 PolarHBondContact O-N 2.86Å; D671-I674 VanDerWaalsContact O-N 3.09Å; D671-I674 WeakPolarHBondContact OD2-CD1 3.28Å; D671-I674 WeakPolarHBondContact OD2-CG1 3.19Å
672	T	86.6	Confident	92.9	Very high	33 Å²	33	29.4 Å²	29.4	20%	0.202	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	-3.2	-178.4	58.1	0	0	0	0	113.2	I593 E594 F667	I593-T672 HydrophobicContact CG2-CG2 4.22Å; E594-T672 WeakPolarHBondContact O-CB 3.29Å; E594-T672 VanDerWaalsContact O-CG2 3.3Å; E594-T672 WeakPolarHBondContact O-CG2 3.46Å; F667-T672 WeakPolarHBondContact CD1-O 3.44Å; F667-T672 WeakPolarHBondContact CE1-O 3.26Å
673	N	88.8	Confident	92.9	Very high	47 Å²	47	30.6 Å²	30.6	25%	0.251	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	-2.4	170.8	-59.4	-67.5	0	0	0	113.6	Q595 D671 S688 C689	Q595-N673 PolarHBondContact NE2-OD1 3.23Å; D671-N673 PolarHBondContact O-N 2.97Å; D671-N673 VanDerWaalsContact O-N 3.17Å; D671-N673 WeakPolarHBondContact OD1-CA 3.28Å; D671-N673 WeakPolarHBondContact OD1-CB 3.48Å; D671-N673 PolarHBondContact OD1-N 3.28Å; N673-S688 CarbonylContact O-C 3.57Å; N673-S688 WeakPolarHBondContact O-CA 3.39Å; N673-S688 WeakPolarHBondContact O-CB 3.48Å; N673-S688 PolarHBondContact O-OG 3.07Å; N673-C689 HydrophobicContact CB-CB 4.38Å; N673-C689 PolarHBondContact O-N 3.26Å
674	I	92.3	Very high	92.9	Very high	29 Å²	29	29.5 Å²	29.5	15%	0.149	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	133.9	174.9	-69.1	179.1	0	0	0	110.3	H668 D671 K686	H668-I674 HydrophobicContact CB-CB 4.2Å; H668-I674 HydrophobicContact CB-CG2 4.09Å; H668-I674 PolarHBondContact N-O 3.42Å; D671-I674 HydrophobicContact CB-CB 4.43Å; D671-I674 PolarHBondContact O-N 2.86Å; D671-I674 VanDerWaalsContact O-N 3.09Å; D671-I674 WeakPolarHBondContact OD2-CD1 3.28Å; D671-I674 WeakPolarHBondContact OD2-CG1 3.19Å; I674-K686 HydrophobicContact CG2-CD 4.49Å; I674-K686 VanDerWaalsContact CG2-CE 3.45Å; I674-K686 HydrophobicContact CG2-CG 4.2Å
675	Y	94.8	Very high	92.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	157.9	172.6	60.3	-88.3	0	0	0	111.9	I617 M632 S666 F667 C687	I617-Y675 HydrophobicContact CD1-CD2 4.48Å; I617-Y675 HydrophobicContact CD1-CE2 3.64Å; I617-Y675 HydrophobicContact CG2-CE2 4.3Å; M632-Y675 VanDerWaalsContact CB-OH 3.29Å; M632-Y675 WeakPolarHBondContact CB-OH 3.4Å; S666-Y675 CarbonylContact O-C 3.4Å; S666-Y675 VanDerWaalsContact O-CA 3.26Å; S666-Y675 WeakPolarHBondContact O-CA 3.46Å; S666-Y675 WeakPolarHBondContact O-CB 3.41Å; F667-Y675 HydrophobicContact CD1-CD1 4.47Å; F667-Y675 AromaticContact CE1-CD1 3.8Å; F667-Y675 HydrophobicContact CE1-CD1 3.8Å; F667-Y675 HydrophobicContact CE1-CG 4.26Å; F667-Y675 HydrophobicContact CE2-CG 4.33Å; F667-Y675 AromaticContact CZ-CD1 3.79Å; F667-Y675 HydrophobicContact CZ-CD1 3.79Å; F667-Y675 HydrophobicContact CZ-CG 4.07Å; Y675-C687 HydrophobicContact CD2-CB 3.96Å; Y675-C687 HydrophobicContact CE1-CB 4.12Å; Y675-C687 HydrophobicContact CE2-CB 3.37Å; Y675-C687 VanDerWaalsContact CZ-CB 3.46Å; Y675-C687 PolarHBondContact N-O 3.04Å; Y675-C687 PolarHBondContact O-N 3.05Å
676	L	96.1	Very high	92.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	145.2	168.6	-59.1	175	0	0	0	109.1	F665 S666 I684 H685 K686 Y699 V709 W711 F719	F665-L676 CarbonylContact C-O 3.35Å; F665-L676 WeakPolarHBondContact CA-O 3.43Å; F665-L676 VanDerWaalsContact CB-O 3.23Å; F665-L676 WeakPolarHBondContact CB-O 3.21Å; S666-L676 PolarHBondContact N-O 2.57Å; S666-L676 PolarHBondContact O-N 2.88Å; L676-I684 HydrophobicContact CB-CG2 4.1Å; L676-I684 HydrophobicContact CD2-CG2 4.43Å; L676-H685 CarbonylContact C-O 3.5Å; L676-H685 WeakPolarHBondContact CA-O 3.36Å; L676-K686 HydrophobicContact CD2-CB 4.03Å; L676-K686 HydrophobicContact CD2-CG 4.11Å; L676-Y699 HydrophobicContact CD2-CE2 3.77Å; L676-V709 HydrophobicContact CB-CG1 3.91Å; L676-V709 HydrophobicContact CD1-CG1 3.61Å; L676-V709 HydrophobicContact CG-CG1 4.42Å; L676-W711 HydrophobicContact CD1-CD2 4.24Å; L676-W711 HydrophobicContact CD1-CH2 4.11Å; L676-W711 HydrophobicContact CD1-CZ2 3.51Å; L676-W711 HydrophobicContact CD2-CH2 4.46Å; L676-W711 HydrophobicContact CD2-CZ2 3.92Å; L676-W711 HydrophobicContact CG-CH2 4.37Å; L676-W711 HydrophobicContact CG-CZ2 3.5Å; L676-W711 VanDerWaalsContact CG-CZ2 3.5Å; L676-F719 HydrophobicContact CD1-CB 3.89Å; L676-F719 HydrophobicContact CD1-CD1 3.56Å; L676-F719 HydrophobicContact CD1-CD2 3.46Å; L676-F719 VanDerWaalsContact CD1-CD2 3.46Å; L676-F719 HydrophobicContact CD1-CE1 3.84Å; L676-F719 HydrophobicContact CD1-CE2 3.73Å; L676-F719 HydrophobicContact CD1-CG 3.36Å; L676-F719 HydrophobicContact CD1-CZ 3.91Å; L676-F719 HydrophobicContact CD2-CE1 4.41Å; L676-F719 HydrophobicContact CD2-CZ 4.44Å
677	A	96.4	Very high	92.6	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	122.5	173.9	0	0	0	0	0	110.5	I617 L634 C664 I684 H685	I617-A677 HydrophobicContact CD1-CB 3.55Å; L634-A677 HydrophobicContact CD2-CB 4.27Å; C664-A677 CarbonylContact O-C 3.58Å; C664-A677 WeakPolarHBondContact O-CA 3.4Å; A677-I684 CarbonylContact O-C 3.5Å; A677-I684 WeakPolarHBondContact O-CA 3.32Å; A677-H685 PolarHBondContact N-O 2.96Å; A677-H685 PolarHBondContact O-N 2.59Å
678	G	95.9	Very high	92.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	139.5	174.8	0	0	0	0	0	111.7	M663 C664	M663-G678 PolarHBondContact N-O 3.19Å; C664-G678 PolarHBondContact O-N 2.75Å
679	T	95.6	Very high	92.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	161.8	-178.8	61.7	0	0	0	0	112.8	L634 A660 P661 E681 G682 H683 V706	L634-T679 HydrophobicContact CD1-CG2 4.32Å; A660-T679 HydrophobicContact CB-CG2 4.31Å; P661-T679 WeakPolarHBondContact O-CA 3.37Å; T679-E681 PolarHBondContact O-N 2.99Å; T679-E681 PolarHBondContact OG1-N 2.85Å; T679-G682 PolarHBondContact O-N 2.78Å; T679-H683 PolarHBondContact N-O 3.21Å; T679-H683 PolarHBondContact OG1-N 2.93Å; T679-H683 PolarHBondContact OG1-O 2.85Å; T679-V706 PolarHBondContact O-N 3.24Å; T679-V706 VanDerWaalsContact O-N 3.12Å
680	E	93.5	Very high	92.1	Very high	91 Å²	91	31.3 Å²	31.3	43%	0.425	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-25.3	168.5	-164.6	-173.5	-171.3	0	0	112.4	P661 G682 P705	P661-E680 HydrophobicContact CB-CB 4.08Å; P661-E680 WeakPolarHBondContact CG-OE2 3.32Å; P661-E680 PolarHBondContact O-N 3.24Å; E680-G682 PolarHBondContact O-N 2.96Å; E680-P705 HydrophobicContact CG-CB 4.3Å; E680-P705 HydrophobicContact CG-CG 3.77Å; E680-P705 WeakPolarHBondContact O-CA 3.2Å
681	E	91.2	Very high	91.9	Very high	54 Å²	54	29.5 Å²	29.5	25%	0.252	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	5.1	-178.3	-53.3	-164.2	140.4	0	0	114.1	R636 T637 A660 T679 H683	R636-E681 WeakPolarHBondContact CA-OE2 3.44Å; R636-E681 WeakPolarHBondContact CD-OE1 3.29Å; R636-E681 WeakPolarHBondContact CG-OE1 3.11Å; R636-E681 IonicContact CZ-OE1 2.65Å; R636-E681 IonicContact NE-OE1 3.27Å; R636-E681 IonicContact NH1-OE1 2.69Å; R636-E681 PolarHBondContact NH1-OE1 2.75Å; T637-E681 PolarHBondContact N-OE2 2.86Å; A660-E681 HydrophobicContact CB-CG 4.25Å; T679-E681 PolarHBondContact O-N 2.99Å; T679-E681 PolarHBondContact OG1-N 2.85Å; E681-H683 VanDerWaalsContact C-N 3.31Å
682	G	91.9	Very high	91.7	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.01	16%	0.164	C	C	.	.	S	Bend	trans	73.8	20.7	-176.9	0	0	0	0	0	114.1	T679 E680 G704	T679-G682 PolarHBondContact O-N 2.78Å; E680-G682 PolarHBondContact O-N 2.96Å; G682-G704 WeakPolarHBondContact CA-O 3.5Å; G682-G704 PolarHBondContact N-O 2.97Å
683	H	93.4	Very high	91.5	Very high	25 Å²	25	36.2 Å²	36.2	12%	0.116	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	138.1	178.3	-68.9	4.3	0	0	0	110.8	T679 E681 T698	T679-H683 PolarHBondContact N-O 3.21Å; T679-H683 PolarHBondContact OG1-N 2.93Å; T679-H683 PolarHBondContact OG1-O 2.85Å; E681-H683 VanDerWaalsContact C-N 3.31Å; H683-T698 HydrophobicContact CB-CG2 4.4Å
684	I	95.9	Very high	91.4	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	119	173.1	-55.7	171.5	0	0	0	107.6	L676 A677 T698 Y699 V706 V709 F719 S721 W731	L676-I684 HydrophobicContact CB-CG2 4.1Å; L676-I684 HydrophobicContact CD2-CG2 4.43Å; A677-I684 CarbonylContact O-C 3.5Å; A677-I684 WeakPolarHBondContact O-CA 3.32Å; I684-T698 CarbonylContact O-C 3.44Å; I684-T698 WeakPolarHBondContact O-CA 3.33Å; I684-Y699 HydrophobicContact CB-CD2 4.19Å; I684-Y699 HydrophobicContact CG2-CD2 4.11Å; I684-Y699 PolarHBondContact N-O 2.9Å; I684-Y699 WeakPolarHBondContact O-CD2 3.49Å; I684-Y699 PolarHBondContact O-N 3.2Å; I684-V706 HydrophobicContact CD1-CG1 4.24Å; I684-V706 HydrophobicContact CG1-CG1 4.23Å; I684-V706 HydrophobicContact CG1-CG2 4.12Å; I684-V709 HydrophobicContact CD1-CG2 3.92Å; I684-V709 HydrophobicContact CG1-CG2 4.2Å; I684-V709 HydrophobicContact CG2-CG2 4.28Å; I684-F719 HydrophobicContact CD1-CE2 4.13Å; I684-F719 HydrophobicContact CG2-CE2 4.28Å; I684-S721 WeakPolarHBondContact CD1-OG 3.48Å; I684-W731 HydrophobicContact CD1-CZ2 4.34Å
685	H	94.8	Very high	91.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	127.6	-179	-58.8	-68.5	0	0	0	110.4	L676 A677 Y695 T698	L676-H685 CarbonylContact C-O 3.5Å; L676-H685 WeakPolarHBondContact CA-O 3.36Å; A677-H685 PolarHBondContact N-O 2.96Å; A677-H685 PolarHBondContact O-N 2.59Å; H685-Y695 HydrophobicContact CB-CD1 3.84Å; H685-Y695 HydrophobicContact CB-CD2 4.34Å; H685-Y695 HydrophobicContact CB-CE1 4.24Å; H685-Y695 HydrophobicContact CB-CG 3.88Å; H685-Y695 AromaticContact CD2-CZ 3.97Å; H685-Y695 AromaticContact CE1-CD2 3.71Å; H685-Y695 AromaticContact CE1-CE2 3.33Å; H685-Y695 WeakPolarHBondContact CE1-CE2 3.19Å; H685-Y695 AromaticContact CE1-CZ 3.87Å; H685-Y695 AromaticContact CG-CD1 3.99Å; H685-Y695 AromaticContact CG-CD2 3.84Å; H685-Y695 AromaticContact CG-CE2 3.86Å; H685-Y695 AromaticContact CG-CG 3.89Å; H685-Y695 AromaticContact CG-CZ 3.93Å; H685-Y695 AromaticContact ND1-CD2 3.22Å; H685-Y695 WeakPolarHBondContact ND1-CD2 3.34Å; H685-Y695 AromaticContact ND1-CE2 3.32Å; H685-Y695 VanDerWaalsContact ND1-CE2 3.32Å; H685-Y695 WeakPolarHBondContact ND1-CE2 3.36Å; H685-Y695 AromaticContact ND1-CG 3.68Å; H685-Y695 AromaticContact ND1-CZ 3.87Å; H685-Y695 AromaticContact NE2-CE2 3.87Å; H685-Y695 AromaticContact NE2-CZ 3.94Å; H685-T698 WeakPolarHBondContact ND1-CG2 3.49Å; H685-T698 PolarHBondContact ND1-OG1 3.06Å
686	K	94.4	Very high	91.2	Very high	27 Å²	27	44.5 Å²	44.5	12%	0.117	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	122.3	167.1	-167.6	-173.9	-172.9	-179.7	0	107.9	I674 L676 L696 N697 Y699 Q733	I674-K686 HydrophobicContact CG2-CD 4.49Å; I674-K686 VanDerWaalsContact CG2-CE 3.45Å; I674-K686 HydrophobicContact CG2-CG 4.2Å; L676-K686 HydrophobicContact CD2-CB 4.03Å; L676-K686 HydrophobicContact CD2-CG 4.11Å; K686-L696 HydrophobicContact CB-CB 4.28Å; K686-L696 HydrophobicContact CD-CB 4.28Å; K686-L696 HydrophobicContact CD-CD1 4.34Å; K686-L696 HydrophobicContact CG-CB 4.29Å; K686-L696 HydrophobicContact CG-CD1 4.28Å; K686-L696 WeakPolarHBondContact O-CB 3.41Å; K686-L696 PolarHBondContact O-N 3.37Å; K686-N697 HydrophobicContact CB-CB 3.88Å; K686-N697 HydrophobicContact CD-CB 4.43Å; K686-N697 PolarHBondContact N-O 2.82Å; K686-Y699 HydrophobicContact CB-CE2 4.14Å; K686-Q733 VanDerWaalsContact NZ-CD 3.34Å
687	C	93.6	Very high	91	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	168.8	-174.4	-60.8	0	0	0	0	110.5	M632 Y675	M632-C687 HydrophobicContact CE-CB 4.22Å; Y675-C687 HydrophobicContact CD2-CB 3.96Å; Y675-C687 HydrophobicContact CE1-CB 4.12Å; Y675-C687 HydrophobicContact CE2-CB 3.37Å; Y675-C687 VanDerWaalsContact CZ-CB 3.46Å; Y675-C687 PolarHBondContact N-O 3.04Å; Y675-C687 PolarHBondContact O-N 3.05Å
688	S	91.5	Very high	90.8	Very high	18 Å²	18	48.6 Å²	48.6	13%	0.126	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	148	172.9	-178.5	0	0	0	0	111.9	N673 S690 Y691	N673-S688 CarbonylContact O-C 3.57Å; N673-S688 WeakPolarHBondContact O-CA 3.39Å; N673-S688 WeakPolarHBondContact O-CB 3.48Å; N673-S688 PolarHBondContact O-OG 3.07Å; S688-S690 PolarHBondContact O-N 3.05Å; S688-S690 PolarHBondContact OG-N 3.02Å; S688-Y691 PolarHBondContact O-N 3.46Å
689	C	87.3	Confident	90.8	Very high	21 Å²	21	48.7 Å²	48.7	14%	0.142	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-20	171	-66.6	0	0	0	0	113.4	N673	N673-C689 HydrophobicContact CB-CB 4.38Å; N673-C689 PolarHBondContact O-N 3.26Å
690	S	85.2	Confident	90.6	Very high	97 Å²	97	54.8 Å²	54.8	68%	0.678	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-6.3	-177	-57.7	0	0	0	0	113.8	S688	S688-S690 PolarHBondContact O-N 3.05Å; S688-S690 PolarHBondContact OG-N 3.02Å
691	Y	83.5	Confident	90.3	Very high	123 Å²	123	51.8 Å²	51.8	48%	0.482	26%	0.262	S	S	.	.	B	Isolated β-bridge	trans	-139.1	103	-174.7	-152.1	-95.7	0	0	0	110.9	M632 S688 Q694	M632-Y691 WeakPolarHBondContact CE-O 3.37Å; S688-Y691 PolarHBondContact O-N 3.46Å; Y691-Q694 HydrophobicContact CD1-CB 4.23Å; Y691-Q694 HydrophobicContact CE1-CB 3.8Å
692	N	82.2	Confident	90.5	Very high	91 Å²	91	49.7 Å²	49.7	49%	0.487	25%	0.252	S	S	.	.			trans	-101.2	-5.7	-164.9	63.9	-16.3	0	0	0	115.1	L631 M632	L631-N692 VanDerWaalsContact O-CA 3.3Å; L631-N692 WeakPolarHBondContact O-CA 3.46Å; L631-N692 WeakPolarHBondContact O-CB 3.21Å; M632-N692 VanDerWaalsContact SD-O 3.36Å
693	E	82.7	Confident	90.5	Very high	135 Å²	135	57.6 Å²	57.6	63%	0.631	29%	0.287	S	S	*	.	S	Bend	trans	-98.8	-27.8	-175.5	-60.3	-152.5	140.2	0	0	114.9	K635	K635-E693 PolarHBondContact NZ-O 2.94Å
694	Q	86.3	Confident	90.5	Very high	129 Å²	129	57 Å²	57	60%	0.603	29%	0.287	S	S	*	.	S	Bend	trans	-138.4	147.3	-173	-162.7	-172.7	-44.2	0	0	111.3	Y691	Y691-Q694 HydrophobicContact CD1-CB 4.23Å; Y691-Q694 HydrophobicContact CE1-CB 3.8Å
695	Y	91.2	Very high	90.4	Very high	34 Å²	34	58.5 Å²	58.5	13%	0.133	30%	0.297	C	S	.	.			trans	-76.5	146.5	170.4	-38.2	-49.1	0	0	0	111	M632 L634 K635 H685	M632-Y695 HydrophobicContact CE-CD1 4.38Å; M632-Y695 HydrophobicContact CG-CE1 4.46Å; M632-Y695 HydrophobicContact SD-CD1 4.09Å; M632-Y695 HydrophobicContact SD-CE1 3.93Å; L634-Y695 HydrophobicContact CD2-CE1 4.12Å; K635-Y695 PolarHBondContact N-OH 3.38Å; K635-Y695 PolarHBondContact O-OH 3.21Å; H685-Y695 HydrophobicContact CB-CD1 3.84Å; H685-Y695 HydrophobicContact CB-CD2 4.34Å; H685-Y695 HydrophobicContact CB-CE1 4.24Å; H685-Y695 HydrophobicContact CB-CG 3.88Å; H685-Y695 AromaticContact CD2-CZ 3.97Å; H685-Y695 AromaticContact CE1-CD2 3.71Å; H685-Y695 AromaticContact CE1-CE2 3.33Å; H685-Y695 WeakPolarHBondContact CE1-CE2 3.19Å; H685-Y695 AromaticContact CE1-CZ 3.87Å; H685-Y695 AromaticContact CG-CD1 3.99Å; H685-Y695 AromaticContact CG-CD2 3.84Å; H685-Y695 AromaticContact CG-CE2 3.86Å; H685-Y695 AromaticContact CG-CG 3.89Å; H685-Y695 AromaticContact CG-CZ 3.93Å; H685-Y695 AromaticContact ND1-CD2 3.22Å; H685-Y695 WeakPolarHBondContact ND1-CD2 3.34Å; H685-Y695 AromaticContact ND1-CE2 3.32Å; H685-Y695 VanDerWaalsContact ND1-CE2 3.32Å; H685-Y695 WeakPolarHBondContact ND1-CE2 3.36Å; H685-Y695 AromaticContact ND1-CG 3.68Å; H685-Y695 AromaticContact ND1-CZ 3.87Å; H685-Y695 AromaticContact NE2-CE2 3.87Å; H685-Y695 AromaticContact NE2-CZ 3.94Å
696	L	91.8	Very high	90.5	Very high	87 Å²	87	58.5 Å²	58.5	46%	0.455	30%	0.297	S	S	.	.	S	Bend	trans	-72	-54.5	172.2	-59.5	176.5	0	0	0	110.6	K686	K686-L696 HydrophobicContact CB-CB 4.28Å; K686-L696 HydrophobicContact CD-CB 4.28Å; K686-L696 HydrophobicContact CD-CD1 4.34Å; K686-L696 HydrophobicContact CG-CB 4.29Å; K686-L696 HydrophobicContact CG-CD1 4.28Å; K686-L696 WeakPolarHBondContact O-CB 3.41Å; K686-L696 PolarHBondContact O-N 3.37Å
697	N	92.1	Very high	90.6	Very high	57 Å²	57	60.8 Å²	60.8	31%	0.305	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	163.6	175.4	-85.3	-3.7	0	0	0	109.5	K686 Y699	K686-N697 HydrophobicContact CB-CB 3.88Å; K686-N697 HydrophobicContact CD-CB 4.43Å; K686-N697 PolarHBondContact N-O 2.82Å; N697-Y699 HydrophobicContact CB-CE2 4.4Å
698	T	93.4	Very high	90.7	Very high	30 Å²	30	63.4 Å²	63.4	18%	0.184	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	108.6	171.6	-65.7	0	0	0	0	109.8	H683 I684 H685 R700 V736	H683-T698 HydrophobicContact CB-CG2 4.4Å; I684-T698 CarbonylContact O-C 3.44Å; I684-T698 WeakPolarHBondContact O-CA 3.33Å; H685-T698 WeakPolarHBondContact ND1-CG2 3.49Å; H685-T698 PolarHBondContact ND1-OG1 3.06Å; T698-R700 HydrophobicContact CG2-CG 4.26Å; T698-V736 WeakPolarHBondContact O-CG1 3.38Å
699	Y	94.4	Very high	91	Very high	1 Å²	1	62.7 Å²	62.7	0%	0.004	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	137.2	177.8	-47.5	-87.7	0	0	0	109.4	L676 I684 K686 N697 F719 W731 Q733 N735	L676-Y699 HydrophobicContact CD2-CE2 3.77Å; I684-Y699 HydrophobicContact CB-CD2 4.19Å; I684-Y699 HydrophobicContact CG2-CD2 4.11Å; I684-Y699 PolarHBondContact N-O 2.9Å; I684-Y699 WeakPolarHBondContact O-CD2 3.49Å; I684-Y699 PolarHBondContact O-N 3.2Å; K686-Y699 HydrophobicContact CB-CE2 4.14Å; N697-Y699 HydrophobicContact CB-CE2 4.4Å; Y699-F719 HydrophobicContact CD1-CZ 4.07Å; Y699-F719 HydrophobicContact CD2-CE1 4.41Å; Y699-F719 AromaticContact CD2-CZ 3.67Å; Y699-F719 HydrophobicContact CD2-CZ 3.67Å; Y699-F719 HydrophobicContact CE1-CE1 4.09Å; Y699-F719 HydrophobicContact CE1-CZ 4.08Å; Y699-F719 AromaticContact CE2-CE1 3.97Å; Y699-F719 HydrophobicContact CE2-CE1 3.97Å; Y699-F719 AromaticContact CE2-CZ 3.67Å; Y699-F719 HydrophobicContact CE2-CZ 3.67Å; Y699-F719 AromaticContact CG-CZ 3.89Å; Y699-F719 HydrophobicContact CG-CZ 3.89Å; Y699-F719 AromaticContact CZ-CE1 3.8Å; Y699-F719 AromaticContact CZ-CZ 3.89Å; Y699-W731 HydrophobicContact CD1-CE3 4.09Å; Y699-W731 HydrophobicContact CG-CE3 4.27Å; Y699-Q733 PolarHBondContact OH-O 3.17Å; Y699-N735 WeakPolarHBondContact CD1-O 3.49Å; Y699-N735 WeakPolarHBondContact CE1-O 3.37Å
700	R	92.2	Very high	91.4	Very high	128 Å²	128	63.2 Å²	63.2	48%	0.483	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	121.8	-176.7	-64	-174.6	179.3	169.8	2	109.7	T698	T698-R700 HydrophobicContact CG2-CG 4.26Å
701	G	88.1	Confident	91.9	Very high	28 Å²	28	59 Å²	59	29%	0.289	28%	0.283	S	S	.	.			trans	-172.6	-43.3	-178.6	0	0	0	0	0	111.9
702	H	93.8	Very high	92.3	Very high	11 Å²	11	53.1 Å²	53.1	5%	0.051	26%	0.26	C	S	.	.			trans	-64.9	150.5	169	-72.5	-63.1	0	0	0	112.1	V706 S721 S723 D725 G727	H702-V706 HydrophobicContact CB-CG2 4.24Å; H702-S721 PolarHBondContact CD2-OG 3.49Å; H702-S721 PolarHBondContact NE2-OG 3.27Å; H702-S723 WeakPolarHBondContact ND1-CB 3.49Å; H702-D725 WeakPolarHBondContact CA-OD2 3.44Å; H702-D725 IonicContact CE1-OD1 2.84Å; H702-D725 IonicContact CG-OD2 3.11Å; H702-D725 IonicContact ND1-OD1 3.8Å; H702-D725 PolarHBondContact ND1-OD1 2.96Å; H702-D725 IonicContact ND1-OD2 2.68Å; H702-D725 PolarHBondContact ND1-OD2 2.9Å; H702-G727 PolarHBondContact CE1-O 2.84Å
703	K	92.8	Very high	92.6	Very high	167 Å²	167	51.4 Å²	51.4	73%	0.726	25%	0.254	S	S	*	.	S	Bend	trans	-114.9	-5.2	-175.2	-61	165.6	-171.1	155.9	0	113.2	D725	K703-D725 HydrophobicContact CB-CB 4.12Å; K703-D725 PolarHBondContact N-OD2 2.93Å
704	G	92.9	Very high	92.8	Very high	13 Å²	13	49.2 Å²	49.2	13%	0.134	24%	0.242	C	C	.	.	S	Bend	trans	-146.5	-176.2	178.3	0	0	0	0	0	111.8	G682 V706 S723	G682-G704 WeakPolarHBondContact CA-O 3.5Å; G682-G704 PolarHBondContact N-O 2.97Å; G704-V706 PolarHBondContact O-N 2.85Å; G704-S723 PolarHBondContact O-OG 3.32Å
705	P	95	Very high	92.9	Very high	31 Å²	31	43.6 Å²	43.6	20%	0.201	22%	0.217	C	C	.	.			trans	-50.2	130.4	-176.5	-29.5	33.3	0	0	0	113.4	E680 S723 A724	E680-P705 HydrophobicContact CG-CB 4.3Å; E680-P705 HydrophobicContact CG-CG 3.77Å; E680-P705 WeakPolarHBondContact O-CA 3.2Å; P705-S723 WeakPolarHBondContact O-CA 3.46Å; P705-S723 VanDerWaalsContact O-CB 3.27Å; P705-S723 WeakPolarHBondContact O-CB 3.05Å; P705-S723 PolarHBondContact O-OG 3.33Å; P705-A724 HydrophobicContact CB-CB 4.49Å; P705-A724 HydrophobicContact CG-CB 4.44Å; P705-A724 PolarHBondContact O-N 3.03Å
706	V	96.9	Very high	92.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	113.6	173.7	-174.1	0	0	0	0	108.1	M663 T679 I684 H702 G704 V709 C722	M663-V706 WeakPolarHBondContact CB-O 3Å; T679-V706 PolarHBondContact O-N 3.24Å; T679-V706 VanDerWaalsContact O-N 3.12Å; I684-V706 HydrophobicContact CD1-CG1 4.24Å; I684-V706 HydrophobicContact CG1-CG1 4.23Å; I684-V706 HydrophobicContact CG1-CG2 4.12Å; H702-V706 HydrophobicContact CB-CG2 4.24Å; G704-V706 PolarHBondContact O-N 2.85Å; V706-V709 HydrophobicContact CG1-CG2 3.73Å; V706-C722 CarbonylContact C-O 3.6Å; V706-C722 WeakPolarHBondContact CA-O 3.41Å; V706-C722 WeakPolarHBondContact CG1-O 3.27Å
707	Y	95.7	Very high	92.5	Very high	75 Å²	75	41.4 Å²	41.4	29%	0.294	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-34.6	-174.6	-71	-66.7	0	0	0	113.5	M663 C664 C722 A724 V748 V749 Y750	M663-Y707 HydrophobicContact CE-CD1 3.96Å; M663-Y707 HydrophobicContact CE-CE1 4.03Å; C664-Y707 WeakPolarHBondContact CB-O 3.15Å; Y707-C722 PolarHBondContact N-O 3.07Å; Y707-A724 HydrophobicContact CE2-CB 3.65Å; Y707-V748 HydrophobicContact CD2-CG1 4.29Å; Y707-V748 HydrophobicContact CE2-CG1 3.62Å; Y707-V749 VanDerWaalsContact CD2-O 3.28Å; Y707-V749 WeakPolarHBondContact CD2-O 3.41Å; Y707-Y750 VanDerWaalsContact CB-O 3.27Å; Y707-Y750 WeakPolarHBondContact CB-O 3.41Å; Y707-Y750 HydrophobicContact CE2-CD1 4.38Å
708	K	96.7	Very high	92.5	Very high	56 Å²	56	38.8 Å²	38.8	24%	0.243	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	146.9	175.3	-155.2	72.4	159	-79.1	0	111	C664 S721 C722 D751 V752	C664-K708 VanDerWaalsContact SG-C 3.59Å; K708-S721 VanDerWaalsContact O-CA 3.27Å; K708-S721 WeakPolarHBondContact O-CA 3.42Å; K708-C722 VanDerWaalsContact CB-SG 3.58Å; K708-C722 PolarHBondContact N-SG 3.15Å; K708-C722 VanDerWaalsContact N-SG 3.45Å; K708-C722 PolarHBondContact O-N 2.99Å; K708-D751 WeakPolarHBondContact CD-OD1 3.15Å; K708-D751 VanDerWaalsContact CG-OD1 3.26Å; K708-D751 WeakPolarHBondContact CG-OD1 3.42Å; K708-D751 IonicContact NZ-OD1 3.3Å; K708-D751 PolarHBondContact NZ-OD1 3.06Å; K708-D751 IonicContact NZ-OD2 3.77Å; K708-D751 PolarHBondContact NZ-OD2 3Å; K708-V752 HydrophobicContact CB-CG2 4.06Å; K708-V752 HydrophobicContact CG-CG2 4.45Å
709	V	97.1	Very high	92.6	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.018	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	136.6	165.5	176.7	0	0	0	0	107	C664 S666 L676 I684 V706 F719 L720	C664-V709 PolarHBondContact SG-N 3.44Å; S666-V709 WeakPolarHBondContact CB-O 3.49Å; L676-V709 HydrophobicContact CB-CG1 3.91Å; L676-V709 HydrophobicContact CD1-CG1 3.61Å; L676-V709 HydrophobicContact CG-CG1 4.42Å; I684-V709 HydrophobicContact CD1-CG2 3.92Å; I684-V709 HydrophobicContact CG1-CG2 4.2Å; I684-V709 HydrophobicContact CG2-CG2 4.28Å; V706-V709 HydrophobicContact CG1-CG2 3.73Å; V709-F719 HydrophobicContact CG1-CD2 3.92Å; V709-F719 HydrophobicContact CG1-CE2 4.46Å; V709-L720 CarbonylContact C-O 3.43Å; V709-L720 WeakPolarHBondContact CA-O 3.47Å
710	T	95.9	Very high	92.6	Very high	31 Å²	31	37.3 Å²	37.3	19%	0.19	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	128	178.9	-175.6	0	0	0	0	112.1	F719 L720 V752 W754	T710-F719 WeakPolarHBondContact O-CA 3.46Å; T710-L720 HydrophobicContact CG2-CB 4Å; T710-L720 HydrophobicContact CG2-CD2 4.23Å; T710-L720 PolarHBondContact N-O 3.37Å; T710-L720 PolarHBondContact O-N 2.76Å; T710-V752 HydrophobicContact CG2-CG2 4.37Å; T710-W754 PolarHBondContact O-NE1 2.65Å
711	W	95.1	Very high	92.9	Very high	9 Å²	9	31.2 Å²	31.2	3%	0.034	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	146.3	173.2	-70.7	99.5	0	0	0	111.1	S666 H668 P669 L676 H716 F719 Q733 W754	S666-W711 PolarHBondContact O-NE1 3.24Å; H668-W711 HydrophobicContact CB-CZ2 4.14Å; H668-W711 AromaticContact CD2-CH2 3.9Å; H668-W711 AromaticContact CD2-CZ2 3.99Å; H668-W711 AromaticContact CD2-CZ3 3.92Å; P669-W711 HydrophobicContact CG-CB 3.85Å; P669-W711 HydrophobicContact CG-CG 4.44Å; L676-W711 HydrophobicContact CD1-CD2 4.24Å; L676-W711 HydrophobicContact CD1-CH2 4.11Å; L676-W711 HydrophobicContact CD1-CZ2 3.51Å; L676-W711 HydrophobicContact CD2-CH2 4.46Å; L676-W711 HydrophobicContact CD2-CZ2 3.92Å; L676-W711 HydrophobicContact CG-CH2 4.37Å; L676-W711 HydrophobicContact CG-CZ2 3.5Å; L676-W711 VanDerWaalsContact CG-CZ2 3.5Å; W711-H716 VanDerWaalsContact CE3-O 3.28Å; W711-H716 WeakPolarHBondContact CZ3-O 3.47Å; W711-F719 HydrophobicContact CD2-CB 4.03Å; W711-F719 HydrophobicContact CE3-CB 3.8Å; W711-F719 HydrophobicContact CE3-CD1 4.28Å; W711-F719 HydrophobicContact CE3-CG 4.5Å; W711-F719 HydrophobicContact CG-CB 4.46Å; W711-F719 HydrophobicContact CH2-CD1 4.06Å; W711-F719 HydrophobicContact CZ3-CB 4.24Å; W711-F719 AromaticContact CZ3-CD1 3.85Å; W711-F719 HydrophobicContact CZ3-CD1 3.85Å; W711-F719 HydrophobicContact CZ3-CG 4.49Å; W711-Q733 HydrophobicContact CH2-CB 4.18Å; W711-Q733 HydrophobicContact CH2-CG 4.23Å; W711-Q733 HydrophobicContact CZ3-CB 4.19Å; W711-W754 VanDerWaalsContact O-CD1 3.24Å
712	N	92.6	Very high	93.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.147	C	C	.	.			trans	-68.8	130.4	170.9	-172.3	-66.1	0	0	0	109.5	F714 C715 V718 W754 S759 I835	N712-F714 PolarHBondContact O-N 3Å; N712-F714 PolarHBondContact OD1-N 3.5Å; N712-C715 WeakPolarHBondContact CB-O 3.26Å; N712-C715 PolarHBondContact OD1-N 2.86Å; N712-V718 HydrophobicContact CB-CB 4.35Å; N712-V718 HydrophobicContact CB-CG1 4.48Å; N712-V718 WeakPolarHBondContact CB-O 3.35Å; N712-V718 PolarHBondContact N-O 3.35Å; N712-W754 HydrophobicContact CB-CD2 4.23Å; N712-W754 HydrophobicContact CB-CG 4.49Å; N712-W754 HydrophobicContact CB-CZ2 4.17Å; N712-W754 VanDerWaalsContact ND2-CE3 3.27Å; N712-W754 WeakPolarHBondContact ND2-CH2 3.48Å; N712-W754 VanDerWaalsContact ND2-CZ3 3.31Å; N712-W754 WeakPolarHBondContact ND2-CZ3 3.18Å; N712-S759 PolarHBondContact ND2-O 3.13Å; N712-I835 WeakPolarHBondContact ND2-CD1 3.43Å
713	P	88.7	Confident	93.3	Very high	54 Å²	54	29.3 Å²	29.3	35%	0.351	15%	0.145	S	C	.	.	S	Bend	trans	-68.6	-20.9	-176.2	22.8	-29	0	0	0	113.5	H716 W754 S755	P713-H716 PolarHBondContact O-CE1 3.47Å; P713-W754 HydrophobicContact CG-CB 4.27Å; P713-S755 WeakPolarHBondContact CG-O 3.34Å
714	F	87	Confident	93.4	Very high	89 Å²	89	22.6 Å²	22.6	39%	0.39	12%	0.12	S	C	.	.	S	Bend	trans	-102.8	-58.6	-178.9	-58	-87	0	0	0	111.9	N712 H716 P756 S758	N712-F714 PolarHBondContact O-N 3Å; N712-F714 PolarHBondContact OD1-N 3.5Å; F714-H716 PolarHBondContact O-CE1 3.46Å; F714-H716 VanDerWaalsContact O-CE1 3.31Å; F714-H716 PolarHBondContact O-N 2.81Å; F714-P756 WeakPolarHBondContact CZ-O 3.38Å; F714-S758 VanDerWaalsContact CE2-C 3.49Å
715	C	87.3	Confident	93.4	Very high	11 Å²	11	23.1 Å²	23.1	7%	0.074	12%	0.12	C	C	.	.			trans	-93.8	89.2	-179.5	-176.1	0	0	0	0	111	N712 D717 V718 I835 D836	N712-C715 WeakPolarHBondContact CB-O 3.26Å; N712-C715 PolarHBondContact OD1-N 2.86Å; C715-D717 PolarHBondContact O-N 3.26Å; C715-D717 VanDerWaalsContact O-N 3.1Å; C715-V718 PolarHBondContact O-N 3.06Å; C715-I835 HydrophobicContact CB-CG2 4.02Å; C715-D836 PolarHBondContact SG-OD1 3.48Å
716	H	86.6	Confident	93.3	Very high	36 Å²	36	27.1 Å²	27.1	17%	0.167	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-9.1	-172.7	-35.4	-56.9	0	0	0	115.1	H668 K670 W711 P713 F714 V718	H668-H716 PolarHBondContact NE2-O 2.87Å; K670-H716 VanDerWaalsContact CD-CD2 3.41Å; K670-H716 WeakPolarHBondContact CD-CD2 3.19Å; K670-H716 VanDerWaalsContact CE-CD2 3.49Å; K670-H716 WeakPolarHBondContact CE-CD2 3.47Å; K670-H716 WeakPolarHBondContact CE-NE2 3.45Å; K670-H716 PolarHBondContact NZ-CD2 3.33Å; K670-H716 PolarHBondContact NZ-NE2 3.2Å; W711-H716 VanDerWaalsContact CE3-O 3.28Å; W711-H716 WeakPolarHBondContact CZ3-O 3.47Å; P713-H716 PolarHBondContact O-CE1 3.47Å; F714-H716 PolarHBondContact O-CE1 3.46Å; F714-H716 VanDerWaalsContact O-CE1 3.31Å; F714-H716 PolarHBondContact O-N 2.81Å; H716-V718 PolarHBondContact O-N 3Å
717	D	88.4	Confident	93.1	Very high	39 Å²	39	27.1 Å²	27.1	21%	0.209	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-7.4	168.7	-78	-25.5	0	0	0	112.4	C715 Q732 Q733 K842	C715-D717 PolarHBondContact O-N 3.26Å; C715-D717 VanDerWaalsContact O-N 3.1Å; D717-Q732 CarbonylContact O-C 3.55Å; D717-Q732 WeakPolarHBondContact O-CA 3.42Å; D717-Q733 WeakPolarHBondContact O-CB 3.2Å; D717-Q733 PolarHBondContact O-N 3.27Å; D717-K842 IonicContact OD2-NZ 3.57Å; D717-K842 PolarHBondContact OD2-NZ 2.84Å
718	V	92.3	Very high	93.1	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.012	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	138.5	-173.4	175.3	0	0	0	0	112.7	N712 C715 H716 I730 W731 W754 I835 L839	N712-V718 HydrophobicContact CB-CB 4.35Å; N712-V718 HydrophobicContact CB-CG1 4.48Å; N712-V718 WeakPolarHBondContact CB-O 3.35Å; N712-V718 PolarHBondContact N-O 3.35Å; C715-V718 PolarHBondContact O-N 3.06Å; H716-V718 PolarHBondContact O-N 3Å; V718-I730 HydrophobicContact CG1-CG2 3.58Å; V718-W731 WeakPolarHBondContact CA-O 3.29Å; V718-W754 HydrophobicContact CG1-CZ2 4.14Å; V718-I835 HydrophobicContact CG2-CG2 3.76Å; V718-L839 HydrophobicContact CG2-CD1 3.82Å; V718-L839 HydrophobicContact CG2-CD2 4.3Å
719	F	95	Very high	93.1	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	158.7	170.8	67.3	-89.6	0	0	0	112.4	L676 I684 Y699 V709 T710 W711 I730 W731	L676-F719 HydrophobicContact CD1-CB 3.89Å; L676-F719 HydrophobicContact CD1-CD1 3.56Å; L676-F719 HydrophobicContact CD1-CD2 3.46Å; L676-F719 VanDerWaalsContact CD1-CD2 3.46Å; L676-F719 HydrophobicContact CD1-CE1 3.84Å; L676-F719 HydrophobicContact CD1-CE2 3.73Å; L676-F719 HydrophobicContact CD1-CG 3.36Å; L676-F719 HydrophobicContact CD1-CZ 3.91Å; L676-F719 HydrophobicContact CD2-CE1 4.41Å; L676-F719 HydrophobicContact CD2-CZ 4.44Å; I684-F719 HydrophobicContact CD1-CE2 4.13Å; I684-F719 HydrophobicContact CG2-CE2 4.28Å; Y699-F719 HydrophobicContact CD1-CZ 4.07Å; Y699-F719 HydrophobicContact CD2-CE1 4.41Å; Y699-F719 AromaticContact CD2-CZ 3.67Å; Y699-F719 HydrophobicContact CD2-CZ 3.67Å; Y699-F719 HydrophobicContact CE1-CE1 4.09Å; Y699-F719 HydrophobicContact CE1-CZ 4.08Å; Y699-F719 AromaticContact CE2-CE1 3.97Å; Y699-F719 HydrophobicContact CE2-CE1 3.97Å; Y699-F719 AromaticContact CE2-CZ 3.67Å; Y699-F719 HydrophobicContact CE2-CZ 3.67Å; Y699-F719 AromaticContact CG-CZ 3.89Å; Y699-F719 HydrophobicContact CG-CZ 3.89Å; Y699-F719 AromaticContact CZ-CE1 3.8Å; Y699-F719 AromaticContact CZ-CZ 3.89Å; V709-F719 HydrophobicContact CG1-CD2 3.92Å; V709-F719 HydrophobicContact CG1-CE2 4.46Å; T710-F719 WeakPolarHBondContact O-CA 3.46Å; W711-F719 HydrophobicContact CD2-CB 4.03Å; W711-F719 HydrophobicContact CE3-CB 3.8Å; W711-F719 HydrophobicContact CE3-CD1 4.28Å; W711-F719 HydrophobicContact CE3-CG 4.5Å; W711-F719 HydrophobicContact CG-CB 4.46Å; W711-F719 HydrophobicContact CH2-CD1 4.06Å; W711-F719 HydrophobicContact CZ3-CB 4.24Å; W711-F719 AromaticContact CZ3-CD1 3.85Å; W711-F719 HydrophobicContact CZ3-CD1 3.85Å; W711-F719 HydrophobicContact CZ3-CG 4.49Å; F719-I730 WeakPolarHBondContact O-CA 3.3Å; F719-W731 HydrophobicContact CD1-CB 3.86Å; F719-W731 HydrophobicContact CD2-CB 3.88Å; F719-W731 AromaticContact CD2-CD1 3.6Å; F719-W731 AromaticContact CD2-CG 3.96Å; F719-W731 HydrophobicContact CD2-CG 3.96Å; F719-W731 HydrophobicContact CE1-CB 3.47Å; F719-W731 VanDerWaalsContact CE1-CB 3.47Å; F719-W731 HydrophobicContact CE1-CG 4.21Å; F719-W731 HydrophobicContact CE2-CB 3.49Å; F719-W731 VanDerWaalsContact CE2-CB 3.49Å; F719-W731 AromaticContact CE2-CD1 3.23Å; F719-W731 HydrophobicContact CE2-CD2 4.14Å; F719-W731 AromaticContact CE2-CG 3.34Å; F719-W731 HydrophobicContact CE2-CG 3.34Å; F719-W731 AromaticContact CE2-NE1 3.9Å; F719-W731 HydrophobicContact CG-CB 4.06Å; F719-W731 HydrophobicContact CZ-CB 3.27Å; F719-W731 AromaticContact CZ-CD1 3.89Å; F719-W731 HydrophobicContact CZ-CD2 4.15Å; F719-W731 AromaticContact CZ-CG 3.49Å; F719-W731 HydrophobicContact CZ-CG 3.49Å; F719-W731 VanDerWaalsContact CZ-CG 3.49Å; F719-W731 PolarHBondContact N-O 2.87Å; F719-W731 PolarHBondContact O-N 2.58Å
720	L	95.5	Very high	92.9	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	145.5	-178.3	-174.4	71.7	0	0	0	109.1	V709 T710 V728 I729 I730 V752 W754 F762	V709-L720 CarbonylContact C-O 3.43Å; V709-L720 WeakPolarHBondContact CA-O 3.47Å; T710-L720 HydrophobicContact CG2-CB 4Å; T710-L720 HydrophobicContact CG2-CD2 4.23Å; T710-L720 PolarHBondContact N-O 3.37Å; T710-L720 PolarHBondContact O-N 2.76Å; L720-V728 HydrophobicContact CD1-CG1 3.56Å; L720-V728 HydrophobicContact CG-CG1 4.24Å; L720-I729 CarbonylContact C-O 3.54Å; L720-I729 WeakPolarHBondContact CA-O 3.49Å; L720-I730 HydrophobicContact CD1-CD1 4.38Å; L720-I730 HydrophobicContact CD1-CG1 3.51Å; L720-V752 HydrophobicContact CD2-CB 3.77Å; L720-V752 HydrophobicContact CD2-CG1 4.35Å; L720-V752 HydrophobicContact CD2-CG2 4.01Å; L720-V752 HydrophobicContact CG-CB 4.32Å; L720-V752 HydrophobicContact CG-CG2 4.09Å; L720-W754 HydrophobicContact CB-CZ2 3.87Å; L720-W754 HydrophobicContact CD1-CZ2 4.44Å; L720-F762 HydrophobicContact CD1-CD2 4.41Å; L720-F762 HydrophobicContact CD1-CE2 4.47Å; L720-F762 HydrophobicContact CD1-CG 4.5Å; L720-F762 HydrophobicContact CD2-CB 3.84Å; L720-F762 HydrophobicContact CD2-CD2 3.87Å; L720-F762 HydrophobicContact CD2-CG 3.89Å
721	S	96.9	Very high	92.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	154.8	171.5	64.4	0	0	0	0	112.9	I684 H702 K708 V728 I729 W731	I684-S721 WeakPolarHBondContact CD1-OG 3.48Å; H702-S721 PolarHBondContact CD2-OG 3.49Å; H702-S721 PolarHBondContact NE2-OG 3.27Å; K708-S721 VanDerWaalsContact O-CA 3.27Å; K708-S721 WeakPolarHBondContact O-CA 3.42Å; S721-V728 WeakPolarHBondContact O-CA 3.44Å; S721-I729 PolarHBondContact N-O 3.02Å; S721-I729 PolarHBondContact O-N 3.47Å; S721-W731 PolarHBondContact OG-NE1 3.37Å
722	C	95.8	Very high	92.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	157.1	174.7	72.2	0	0	0	0	112.2	V706 Y707 K708 V728 V749 V752	V706-C722 CarbonylContact C-O 3.6Å; V706-C722 WeakPolarHBondContact CA-O 3.41Å; V706-C722 WeakPolarHBondContact CG1-O 3.27Å; Y707-C722 PolarHBondContact N-O 3.07Å; K708-C722 VanDerWaalsContact CB-SG 3.58Å; K708-C722 PolarHBondContact N-SG 3.15Å; K708-C722 VanDerWaalsContact N-SG 3.45Å; K708-C722 PolarHBondContact O-N 2.99Å; C722-V728 HydrophobicContact CB-CG2 4.49Å; C722-V749 HydrophobicContact CB-CB 3.88Å; C722-V749 HydrophobicContact CB-CG1 3.53Å; C722-V752 HydrophobicContact CB-CB 4.37Å; C722-V752 HydrophobicContact CB-CG1 3.69Å; C722-V752 HydrophobicContact CB-CG2 3.82Å
723	S	95.6	Very high	92.5	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	161.6	-172.8	177.9	0	0	0	0	114	H702 G704 P705 D725 W726 G727	H702-S723 WeakPolarHBondContact ND1-CB 3.49Å; G704-S723 PolarHBondContact O-OG 3.32Å; P705-S723 WeakPolarHBondContact O-CA 3.46Å; P705-S723 VanDerWaalsContact O-CB 3.27Å; P705-S723 WeakPolarHBondContact O-CB 3.05Å; P705-S723 PolarHBondContact O-OG 3.33Å; S723-D725 VanDerWaalsContact CB-OD1 3.29Å; S723-D725 WeakPolarHBondContact CB-OD1 3.37Å; S723-D725 PolarHBondContact O-N 3.03Å; S723-D725 VanDerWaalsContact O-N 3.14Å; S723-D725 PolarHBondContact OG-N 3.46Å; S723-D725 PolarHBondContact OG-OD1 2.88Å; S723-W726 PolarHBondContact O-N 2.98Å; S723-G727 PolarHBondContact N-O 3.23Å
724	A	94.6	Very high	92.5	Very high	25 Å²	25	25.9 Å²	25.9	21%	0.207	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-15.6	166.3	0	0	0	0	0	114.4	P705 Y707 W726	P705-A724 HydrophobicContact CB-CB 4.49Å; P705-A724 HydrophobicContact CG-CB 4.44Å; P705-A724 PolarHBondContact O-N 3.03Å; Y707-A724 HydrophobicContact CE2-CB 3.65Å; A724-W726 PolarHBondContact O-N 3.2Å
725	D	93	Very high	92.4	Very high	25 Å²	25	24.4 Å²	24.4	13%	0.134	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	10.8	176.8	75.7	-0.5	0	0	0	115	H702 K703 S723 G727	H702-D725 WeakPolarHBondContact CA-OD2 3.44Å; H702-D725 IonicContact CE1-OD1 2.84Å; H702-D725 IonicContact CG-OD2 3.11Å; H702-D725 IonicContact ND1-OD1 3.8Å; H702-D725 PolarHBondContact ND1-OD1 2.96Å; H702-D725 IonicContact ND1-OD2 2.68Å; H702-D725 PolarHBondContact ND1-OD2 2.9Å; K703-D725 HydrophobicContact CB-CB 4.12Å; K703-D725 PolarHBondContact N-OD2 2.93Å; S723-D725 VanDerWaalsContact CB-OD1 3.29Å; S723-D725 WeakPolarHBondContact CB-OD1 3.37Å; S723-D725 PolarHBondContact O-N 3.03Å; S723-D725 VanDerWaalsContact O-N 3.14Å; S723-D725 PolarHBondContact OG-N 3.46Å; S723-D725 PolarHBondContact OG-OD1 2.88Å; D725-G727 PolarHBondContact O-N 3.19Å; D725-G727 WeakPolarHBondContact OD1-CA 3.45Å; D725-G727 PolarHBondContact OD1-N 3.45Å
726	W	93.3	Very high	92.4	Very high	115 Å²	115	27.3 Å²	27.3	44%	0.436	14%	0.136	S	C	.	.	S	Bend	trans	68.1	2.2	-179.3	-35.8	-32.4	0	0	0	114.2	S723 A724 T745 T746 S747	S723-W726 PolarHBondContact O-N 2.98Å; A724-W726 PolarHBondContact O-N 3.2Å; W726-T745 WeakPolarHBondContact CB-O 3.32Å; W726-T746 HydrophobicContact CZ3-CG2 4.32Å; W726-S747 WeakPolarHBondContact CB-O 3.27Å
727	G	93.1	Very high	92.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.159	C	C	.	.			trans	-80.8	134.6	175.3	0	0	0	0	0	112.2	H702 S723 D725 F742	H702-G727 PolarHBondContact CE1-O 2.84Å; S723-G727 PolarHBondContact N-O 3.23Å; D725-G727 PolarHBondContact O-N 3.19Å; D725-G727 WeakPolarHBondContact OD1-CA 3.45Å; D725-G727 PolarHBondContact OD1-N 3.45Å; G727-F742 WeakPolarHBondContact CA-O 3.18Å
728	V	95.6	Very high	92.4	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	127.2	152.3	178.6	0	0	0	0	107.1	L720 S721 C722 S741 F742 V749 V752 F762 A764	L720-V728 HydrophobicContact CD1-CG1 3.56Å; L720-V728 HydrophobicContact CG-CG1 4.24Å; S721-V728 WeakPolarHBondContact O-CA 3.44Å; C722-V728 HydrophobicContact CB-CG2 4.49Å; V728-S741 WeakPolarHBondContact O-CA 3.05Å; V728-F742 HydrophobicContact CB-CB 4.42Å; V728-F742 HydrophobicContact CB-CD2 4.37Å; V728-F742 HydrophobicContact CG1-CD2 4.31Å; V728-F742 PolarHBondContact N-O 3.28Å; V728-F742 WeakPolarHBondContact O-CD2 3.46Å; V728-F742 PolarHBondContact O-N 2.93Å; V728-V749 HydrophobicContact CG2-CG1 3.93Å; V728-V749 HydrophobicContact CG2-CG2 4.09Å; V728-V752 HydrophobicContact CG1-CG1 4.18Å; V728-V752 HydrophobicContact CG2-CG1 4.11Å; V728-F762 HydrophobicContact CG1-CE2 3.85Å; V728-F762 HydrophobicContact CG1-CZ 4.27Å; V728-A764 HydrophobicContact CG2-CB 4.2Å
729	I	95.1	Very high	92.3	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	130	-174.3	-58.6	-175.8	0	0	0	110.2	L720 S721 W731 P738 L740	L720-I729 CarbonylContact C-O 3.54Å; L720-I729 WeakPolarHBondContact CA-O 3.49Å; S721-I729 PolarHBondContact N-O 3.02Å; S721-I729 PolarHBondContact O-N 3.47Å; I729-W731 HydrophobicContact CB-CZ2 4.26Å; I729-W731 HydrophobicContact CD1-CZ2 4.15Å; I729-W731 HydrophobicContact CG2-CD2 3.86Å; I729-W731 HydrophobicContact CG2-CG 4.18Å; I729-W731 HydrophobicContact CG2-CH2 4.38Å; I729-W731 HydrophobicContact CG2-CZ2 3.66Å; I729-W731 VanDerWaalsContact CG2-NE1 3.34Å; I729-P738 HydrophobicContact CG2-CB 3.5Å; I729-L740 WeakPolarHBondContact CA-O 3.32Å; I729-L740 WeakPolarHBondContact CG2-O 3.18Å
730	I	94.5	Very high	92	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.021	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	136.8	166.5	-65.7	170.6	0	0	0	108.3	V718 F719 L720 F739 L740 F742 W754 F762 L775	V718-I730 HydrophobicContact CG1-CG2 3.58Å; F719-I730 WeakPolarHBondContact O-CA 3.3Å; L720-I730 HydrophobicContact CD1-CD1 4.38Å; L720-I730 HydrophobicContact CD1-CG1 3.51Å; I730-F739 HydrophobicContact CG2-CD1 3.98Å; I730-F739 WeakPolarHBondContact O-CB 3.33Å; I730-F739 PolarHBondContact O-N 3.21Å; I730-L740 HydrophobicContact CB-CB 4.3Å; I730-L740 HydrophobicContact CD1-CD1 4.48Å; I730-L740 PolarHBondContact N-O 3.19Å; I730-L740 PolarHBondContact O-N 3.5Å; I730-F742 HydrophobicContact CD1-CE2 3.65Å; I730-F742 HydrophobicContact CD1-CZ 3.96Å; I730-F742 HydrophobicContact CG1-CE2 3.96Å; I730-W754 HydrophobicContact CD1-CH2 4.05Å; I730-W754 HydrophobicContact CG1-CH2 4.41Å; I730-W754 HydrophobicContact CG1-CZ2 4.46Å; I730-F762 HydrophobicContact CD1-CE1 4.27Å; I730-L775 HydrophobicContact CD1-CD1 3.61Å; I730-L775 HydrophobicContact CD1-CD2 4.04Å; I730-L775 HydrophobicContact CD1-CG 4.46Å
731	W	94.4	Very high	91.8	Very high	1 Å²	1	40.6 Å²	40.6	0%	0.004	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	149.4	-177.6	-56.4	87.4	0	0	0	110.8	I684 Y699 V718 F719 S721 I729 P738	I684-W731 HydrophobicContact CD1-CZ2 4.34Å; Y699-W731 HydrophobicContact CD1-CE3 4.09Å; Y699-W731 HydrophobicContact CG-CE3 4.27Å; V718-W731 WeakPolarHBondContact CA-O 3.29Å; F719-W731 HydrophobicContact CD1-CB 3.86Å; F719-W731 HydrophobicContact CD2-CB 3.88Å; F719-W731 AromaticContact CD2-CD1 3.6Å; F719-W731 AromaticContact CD2-CG 3.96Å; F719-W731 HydrophobicContact CD2-CG 3.96Å; F719-W731 HydrophobicContact CE1-CB 3.47Å; F719-W731 VanDerWaalsContact CE1-CB 3.47Å; F719-W731 HydrophobicContact CE1-CG 4.21Å; F719-W731 HydrophobicContact CE2-CB 3.49Å; F719-W731 VanDerWaalsContact CE2-CB 3.49Å; F719-W731 AromaticContact CE2-CD1 3.23Å; F719-W731 HydrophobicContact CE2-CD2 4.14Å; F719-W731 AromaticContact CE2-CG 3.34Å; F719-W731 HydrophobicContact CE2-CG 3.34Å; F719-W731 AromaticContact CE2-NE1 3.9Å; F719-W731 HydrophobicContact CG-CB 4.06Å; F719-W731 HydrophobicContact CZ-CB 3.27Å; F719-W731 AromaticContact CZ-CD1 3.89Å; F719-W731 HydrophobicContact CZ-CD2 4.15Å; F719-W731 AromaticContact CZ-CG 3.49Å; F719-W731 HydrophobicContact CZ-CG 3.49Å; F719-W731 VanDerWaalsContact CZ-CG 3.49Å; F719-W731 PolarHBondContact N-O 2.87Å; F719-W731 PolarHBondContact O-N 2.58Å; S721-W731 PolarHBondContact OG-NE1 3.37Å; I729-W731 HydrophobicContact CB-CZ2 4.26Å; I729-W731 HydrophobicContact CD1-CZ2 4.15Å; I729-W731 HydrophobicContact CG2-CD2 3.86Å; I729-W731 HydrophobicContact CG2-CG 4.18Å; I729-W731 HydrophobicContact CG2-CH2 4.38Å; I729-W731 HydrophobicContact CG2-CZ2 3.66Å; I729-W731 VanDerWaalsContact CG2-NE1 3.34Å; W731-P738 HydrophobicContact CE3-CB 4.41Å; W731-P738 HydrophobicContact CH2-CB 4.29Å; W731-P738 HydrophobicContact CZ3-CB 4.13Å; W731-P738 VanDerWaalsContact CZ3-N 3.27Å
732	Q	91.9	Very high	91.6	Very high	35 Å²	35	41.1 Å²	41.1	16%	0.164	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	133	168.5	-174.4	-174	32.2	0	0	108.5	D717 E734 N735 L839	D717-Q732 CarbonylContact O-C 3.55Å; D717-Q732 WeakPolarHBondContact O-CA 3.42Å; Q732-E734 PolarHBondContact O-N 3.43Å; Q732-E734 VanDerWaalsContact O-N 3.15Å; Q732-N735 HydrophobicContact CB-CB 4.13Å; Q732-N735 PolarHBondContact O-N 2.89Å; Q732-L839 HydrophobicContact CB-CD2 4.15Å; Q732-L839 HydrophobicContact CG-CD2 4.05Å
733	Q	88.6	Confident	91.2	Very high	25 Å²	25	46.7 Å²	46.7	12%	0.117	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-34.7	-173.6	169.7	167.3	-125.3	0	0	114.2	K686 Y699 W711 D717	K686-Q733 VanDerWaalsContact NZ-CD 3.34Å; Y699-Q733 PolarHBondContact OH-O 3.17Å; W711-Q733 HydrophobicContact CH2-CB 4.18Å; W711-Q733 HydrophobicContact CH2-CG 4.23Å; W711-Q733 HydrophobicContact CZ3-CB 4.19Å; D717-Q733 WeakPolarHBondContact O-CB 3.2Å; D717-Q733 PolarHBondContact O-N 3.27Å
734	E	87.8	Confident	90	Very high	135 Å²	135	48.4 Å²	48.4	63%	0.631	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-17.8	179.9	-58.9	-169.1	146.7	0	0	112.8	Q732	Q732-E734 PolarHBondContact O-N 3.43Å; Q732-E734 VanDerWaalsContact O-N 3.15Å
735	N	86.1	Confident	89.3	Confident	58 Å²	58	48.2 Å²	48.2	31%	0.31	24%	0.236	S	C	.	.			trans	-105	121.8	-173.6	-165.3	-13.5	0	0	0	111.6	Y699 Q732 K737	Y699-N735 WeakPolarHBondContact CD1-O 3.49Å; Y699-N735 WeakPolarHBondContact CE1-O 3.37Å; Q732-N735 HydrophobicContact CB-CB 4.13Å; Q732-N735 PolarHBondContact O-N 2.89Å; N735-K737 PolarHBondContact O-N 3.39Å; N735-K737 PolarHBondContact OD1-N 2.88Å; N735-K737 VanDerWaalsContact OD1-N 3.1Å
736	V	85.9	Confident	88.9	Confident	71 Å²	71	52.7 Å²	52.7	43%	0.43	26%	0.264	S	S	.	.	S	Bend	trans	-73.7	-15.7	-179.5	179	0	0	0	0	112.6	T698	T698-V736 WeakPolarHBondContact O-CG1 3.38Å
737	K	87.3	Confident	88.8	Confident	150 Å²	150	48.4 Å²	48.4	65%	0.652	25%	0.252	S	S	*	.	S	Bend	trans	-90.5	153.3	176.8	-65.7	-179.2	-179.6	177.5	0	111.5	N735	N735-K737 PolarHBondContact O-N 3.39Å; N735-K737 PolarHBondContact OD1-N 2.88Å; N735-K737 VanDerWaalsContact OD1-N 3.1Å
738	P	89.1	Confident	88.8	Confident	51 Å²	51	49.7 Å²	49.7	33%	0.331	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	141.4	168.2	27.3	-36.3	0	0	0	110.4	I729 W731 S741	I729-P738 HydrophobicContact CG2-CB 3.5Å; W731-P738 HydrophobicContact CE3-CB 4.41Å; W731-P738 HydrophobicContact CH2-CB 4.29Å; W731-P738 HydrophobicContact CZ3-CB 4.13Å; W731-P738 VanDerWaalsContact CZ3-N 3.27Å; P738-S741 WeakPolarHBondContact CB-OG 2.92Å
739	F	88.5	Confident	88.8	Confident	62 Å²	62	49.6 Å²	49.6	27%	0.272	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-51.8	177.9	171	-107.6	0	0	0	110.8	I730 L838 L839	I730-F739 HydrophobicContact CG2-CD1 3.98Å; I730-F739 WeakPolarHBondContact O-CB 3.33Å; I730-F739 PolarHBondContact O-N 3.21Å; F739-L838 HydrophobicContact CE1-CB 4.43Å; F739-L838 HydrophobicContact CZ-CB 4.07Å; F739-L838 WeakPolarHBondContact CZ-O 3.28Å; F739-L839 HydrophobicContact CD1-CD2 4.18Å; F739-L839 HydrophobicContact CD2-CD2 4.07Å; F739-L839 HydrophobicContact CE1-CD2 4.02Å; F739-L839 HydrophobicContact CE2-CD2 3.91Å; F739-L839 HydrophobicContact CG-CD2 4.22Å; F739-L839 HydrophobicContact CZ-CD2 3.89Å; F739-L839 HydrophobicContact CZ-CG 4.4Å
740	L	90.1	Very high	88.7	Confident	46 Å²	46	52.9 Å²	52.9	24%	0.241	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	151.1	167.3	-65.9	171.2	0	0	0	109.3	I729 I730 F742 L775	I729-L740 WeakPolarHBondContact CA-O 3.32Å; I729-L740 WeakPolarHBondContact CG2-O 3.18Å; I730-L740 HydrophobicContact CB-CB 4.3Å; I730-L740 HydrophobicContact CD1-CD1 4.48Å; I730-L740 PolarHBondContact N-O 3.19Å; I730-L740 PolarHBondContact O-N 3.5Å; L740-F742 HydrophobicContact CB-CE2 3.94Å; L740-F742 HydrophobicContact CB-CZ 3.73Å; L740-F742 HydrophobicContact CD1-CZ 3.98Å; L740-F742 HydrophobicContact CG-CZ 4.46Å; L740-L775 HydrophobicContact CD1-CD2 4.44Å
741	S	91.7	Very high	88.8	Confident	48 Å²	48	53 Å²	53	34%	0.336	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	111.9	179.6	-60.8	0	0	0	0	110.3	V728 P738	V728-S741 WeakPolarHBondContact O-CA 3.05Å; P738-S741 WeakPolarHBondContact CB-OG 2.92Å
742	F	91.4	Very high	88.9	Confident	10 Å²	10	53 Å²	53	4%	0.044	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	136.3	179.9	-43.8	-87	0	0	0	108.5	G727 V728 I730 L740 F762 W773 L775 T779	G727-F742 WeakPolarHBondContact CA-O 3.18Å; V728-F742 HydrophobicContact CB-CB 4.42Å; V728-F742 HydrophobicContact CB-CD2 4.37Å; V728-F742 HydrophobicContact CG1-CD2 4.31Å; V728-F742 PolarHBondContact N-O 3.28Å; V728-F742 WeakPolarHBondContact O-CD2 3.46Å; V728-F742 PolarHBondContact O-N 2.93Å; I730-F742 HydrophobicContact CD1-CE2 3.65Å; I730-F742 HydrophobicContact CD1-CZ 3.96Å; I730-F742 HydrophobicContact CG1-CE2 3.96Å; L740-F742 HydrophobicContact CB-CE2 3.94Å; L740-F742 HydrophobicContact CB-CZ 3.73Å; L740-F742 HydrophobicContact CD1-CZ 3.98Å; L740-F742 HydrophobicContact CG-CZ 4.46Å; F742-F762 HydrophobicContact CD2-CZ 4.08Å; F742-F762 HydrophobicContact CE2-CE1 4.29Å; F742-F762 HydrophobicContact CE2-CZ 4.07Å; F742-W773 AromaticContact CD1-CE3 3.96Å; F742-W773 HydrophobicContact CD1-CE3 3.96Å; F742-W773 HydrophobicContact CD1-CH2 4.31Å; F742-W773 AromaticContact CD1-CZ3 3.67Å; F742-W773 HydrophobicContact CD1-CZ3 3.67Å; F742-W773 HydrophobicContact CE1-CE3 4.27Å; F742-W773 HydrophobicContact CE1-CZ3 4.25Å; F742-W773 HydrophobicContact CG-CZ3 4.4Å; F742-L775 HydrophobicContact CE1-CD2 4.13Å; F742-L775 HydrophobicContact CE2-CD2 4.5Å; F742-L775 HydrophobicContact CZ-CD2 3.59Å; F742-T779 WeakPolarHBondContact CE1-O 3.29Å
743	Y	88.5	Confident	89.1	Confident	118 Å²	118	52 Å²	52	46%	0.463	27%	0.271	S	S	.	.			trans	-126.2	69.5	175	-66.7	-86.9	0	0	0	108.4	T745	Y743-T745 VanDerWaalsContact C-N 3.33Å; Y743-T745 PolarHBondContact O-N 2.66Å
744	P	70.3	Confident	89.4	Confident	35 Å²	35	51.5 Å²	51.5	23%	0.227	27%	0.268	C	S	.	.			trans	-79.8	-18	-161.7	35.6	-40	0	0	0	113.5	E771 W773	P744-E771 WeakPolarHBondContact CB-OE2 3.39Å; P744-E771 WeakPolarHBondContact CG-OE2 3.48Å; P744-W773 HydrophobicContact CB-CH2 4.29Å; P744-W773 HydrophobicContact CB-CZ2 3.52Å; P744-W773 HydrophobicContact CG-CZ2 4.36Å
745	T	79.4	Confident	89.6	Confident	21 Å²	21	45.5 Å²	45.5	13%	0.129	24%	0.241	C	C	.	.			trans	-140.9	167.5	173.1	64.1	0	0	0	0	111	W726 Y743 S747 N766 R769 E771	W726-T745 WeakPolarHBondContact CB-O 3.32Å; Y743-T745 VanDerWaalsContact C-N 3.33Å; Y743-T745 PolarHBondContact O-N 2.66Å; T745-S747 WeakPolarHBondContact CB-OG 3.47Å; T745-S747 PolarHBondContact O-N 2.63Å; T745-S747 PolarHBondContact OG1-N 3.29Å; T745-S747 PolarHBondContact OG1-O 3.08Å; T745-S747 PolarHBondContact OG1-OG 3.46Å; T745-N766 WeakPolarHBondContact CG2-ND2 3.26Å; T745-N766 PolarHBondContact OG1-ND2 3.35Å; T745-R769 HydrophobicContact CG2-CG 4.38Å; T745-E771 WeakPolarHBondContact CG2-OE1 3.49Å
746	T	85	Confident	89.7	Confident	120 Å²	120	45 Å²	45	74%	0.736	24%	0.24	S	C	*	.	S	Bend	trans	-89.3	35.6	166	52.5	0	0	0	0	111.7	W726	W726-T746 HydrophobicContact CZ3-CG2 4.32Å
747	S	90.6	Very high	89.7	Confident	24 Å²	24	45.8 Å²	45.8	17%	0.168	24%	0.238	C	C	.	.	S	Bend	trans	-137.2	157.1	-173.1	73.9	0	0	0	0	112.6	W726 T745 V749	W726-S747 WeakPolarHBondContact CB-O 3.27Å; T745-S747 WeakPolarHBondContact CB-OG 3.47Å; T745-S747 PolarHBondContact O-N 2.63Å; T745-S747 PolarHBondContact OG1-N 3.29Å; T745-S747 PolarHBondContact OG1-O 3.08Å; T745-S747 PolarHBondContact OG1-OG 3.46Å; S747-V749 PolarHBondContact O-N 3.27Å
748	V	92.8	Very high	89.6	Confident	27 Å²	27	39.3 Å²	39.3	16%	0.164	21%	0.211	C	C	.	.			trans	-64.6	129.4	-176.6	171.2	0	0	0	0	110.7	Y707 Y750 N766 E767	Y707-V748 HydrophobicContact CD2-CG1 4.29Å; Y707-V748 HydrophobicContact CE2-CG1 3.62Å; V748-Y750 HydrophobicContact CB-CE1 4.42Å; V748-Y750 HydrophobicContact CG1-CD1 3.72Å; V748-Y750 HydrophobicContact CG1-CE1 3.52Å; V748-Y750 HydrophobicContact CG1-CE2 4.44Å; V748-Y750 HydrophobicContact CG1-CG 4.26Å; V748-N766 WeakPolarHBondContact O-CA 3.46Å; V748-E767 HydrophobicContact CB-CG 4.03Å; V748-E767 PolarHBondContact O-N 2.76Å; V748-E767 VanDerWaalsContact O-N 3.13Å
749	V	94.9	Very high	89.4	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	113.1	170	-163.5	0	0	0	0	108.3	Y707 C722 V728 S747 V752 A764 A765 N766	Y707-V749 VanDerWaalsContact CD2-O 3.28Å; Y707-V749 WeakPolarHBondContact CD2-O 3.41Å; C722-V749 HydrophobicContact CB-CB 3.88Å; C722-V749 HydrophobicContact CB-CG1 3.53Å; V728-V749 HydrophobicContact CG2-CG1 3.93Å; V728-V749 HydrophobicContact CG2-CG2 4.09Å; S747-V749 PolarHBondContact O-N 3.27Å; V749-V752 HydrophobicContact CG1-CG1 4.22Å; V749-A764 HydrophobicContact CG1-CB 4.28Å; V749-A765 CarbonylContact C-O 3.58Å; V749-A765 WeakPolarHBondContact CA-O 3.29Å; V749-N766 WeakPolarHBondContact CG1-OD1 3.25Å; V749-N766 WeakPolarHBondContact CG2-OD1 3.3Å
750	Y	94.3	Very high	89.3	Confident	70 Å²	70	36.3 Å²	36.3	28%	0.275	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-34.9	-178.5	-69.7	-60.7	0	0	0	113.3	Y707 V748 A765 E767 F794 T795	Y707-Y750 VanDerWaalsContact CB-O 3.27Å; Y707-Y750 WeakPolarHBondContact CB-O 3.41Å; Y707-Y750 HydrophobicContact CE2-CD1 4.38Å; V748-Y750 HydrophobicContact CB-CE1 4.42Å; V748-Y750 HydrophobicContact CG1-CD1 3.72Å; V748-Y750 HydrophobicContact CG1-CE1 3.52Å; V748-Y750 HydrophobicContact CG1-CE2 4.44Å; V748-Y750 HydrophobicContact CG1-CG 4.26Å; Y750-A765 PolarHBondContact N-O 3.09Å; Y750-E767 HydrophobicContact CE2-CB 4.42Å; Y750-E767 HydrophobicContact CE2-CG 3.88Å; Y750-E767 PolarHBondContact OH-OE1 3.04Å; Y750-F794 VanDerWaalsContact CD2-O 3.29Å; Y750-F794 WeakPolarHBondContact CD2-O 3.04Å; Y750-T795 WeakPolarHBondContact CB-O 3.25Å
751	D	95.6	Very high	89.3	Confident	7 Å²	7	34.9 Å²	34.9	4%	0.037	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	151	-174.1	-156	-6.3	0	0	0	112.4	K708 A764 A765 T796 I797	K708-D751 WeakPolarHBondContact CD-OD1 3.15Å; K708-D751 VanDerWaalsContact CG-OD1 3.26Å; K708-D751 WeakPolarHBondContact CG-OD1 3.42Å; K708-D751 IonicContact NZ-OD1 3.3Å; K708-D751 PolarHBondContact NZ-OD1 3.06Å; K708-D751 IonicContact NZ-OD2 3.77Å; K708-D751 PolarHBondContact NZ-OD2 3Å; D751-A764 WeakPolarHBondContact O-CA 3.26Å; D751-A765 HydrophobicContact CB-CB 4.17Å; D751-A765 PolarHBondContact O-N 2.91Å; D751-T796 WeakPolarHBondContact OD2-CA 3.45Å; D751-I797 PolarHBondContact OD2-N 3.15Å
752	V	96.5	Very high	89.4	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	144	172.6	-75.3	0	0	0	0	111.6	K708 T710 L720 C722 V728 V749 A763 A764	K708-V752 HydrophobicContact CB-CG2 4.06Å; K708-V752 HydrophobicContact CG-CG2 4.45Å; T710-V752 HydrophobicContact CG2-CG2 4.37Å; L720-V752 HydrophobicContact CD2-CB 3.77Å; L720-V752 HydrophobicContact CD2-CG1 4.35Å; L720-V752 HydrophobicContact CD2-CG2 4.01Å; L720-V752 HydrophobicContact CG-CB 4.32Å; L720-V752 HydrophobicContact CG-CG2 4.09Å; C722-V752 HydrophobicContact CB-CB 4.37Å; C722-V752 HydrophobicContact CB-CG1 3.69Å; C722-V752 HydrophobicContact CB-CG2 3.82Å; V728-V752 HydrophobicContact CG1-CG1 4.18Å; V728-V752 HydrophobicContact CG2-CG1 4.11Å; V749-V752 HydrophobicContact CG1-CG1 4.22Å; V752-A763 VanDerWaalsContact CA-O 3.28Å; V752-A763 WeakPolarHBondContact CA-O 3.4Å; V752-A764 HydrophobicContact CG1-CB 3.82Å
753	A	96	Very high	89.6	Confident	14 Å²	14	32.1 Å²	32.1	12%	0.116	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	140.5	176.6	0	0	0	0	0	111.5	F762 A763 I797 F799	A753-F762 CarbonylContact O-C 3.46Å; A753-F762 VanDerWaalsContact O-CA 3.31Å; A753-F762 WeakPolarHBondContact O-CA 3.47Å; A753-F762 WeakPolarHBondContact O-CB 3.3Å; A753-A763 PolarHBondContact N-O 3.02Å; A753-A763 PolarHBondContact O-N 3.13Å; A753-I797 HydrophobicContact CB-CG2 4.13Å; A753-F799 HydrophobicContact CB-CD2 3.8Å; A753-F799 HydrophobicContact CB-CE2 4.11Å; A753-F799 WeakPolarHBondContact O-CE2 3.36Å
754	W	94.7	Very high	89.9	Confident	14 Å²	14	26.5 Å²	26.5	5%	0.053	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	150.5	165.9	-71.5	105.6	0	0	0	110.8	T710 W711 N712 P713 V718 L720 I730 S759 F762 L775 F799 I835	T710-W754 PolarHBondContact O-NE1 2.65Å; W711-W754 VanDerWaalsContact O-CD1 3.24Å; N712-W754 HydrophobicContact CB-CD2 4.23Å; N712-W754 HydrophobicContact CB-CG 4.49Å; N712-W754 HydrophobicContact CB-CZ2 4.17Å; N712-W754 VanDerWaalsContact ND2-CE3 3.27Å; N712-W754 WeakPolarHBondContact ND2-CH2 3.48Å; N712-W754 VanDerWaalsContact ND2-CZ3 3.31Å; N712-W754 WeakPolarHBondContact ND2-CZ3 3.18Å; P713-W754 HydrophobicContact CG-CB 4.27Å; V718-W754 HydrophobicContact CG1-CZ2 4.14Å; L720-W754 HydrophobicContact CB-CZ2 3.87Å; L720-W754 HydrophobicContact CD1-CZ2 4.44Å; I730-W754 HydrophobicContact CD1-CH2 4.05Å; I730-W754 HydrophobicContact CG1-CH2 4.41Å; I730-W754 HydrophobicContact CG1-CZ2 4.46Å; W754-S759 WeakPolarHBondContact CZ3-O 3.28Å; W754-F762 HydrophobicContact CD2-CB 4.29Å; W754-F762 HydrophobicContact CE3-CB 3.89Å; W754-F762 HydrophobicContact CH2-CD1 4.5Å; W754-F762 HydrophobicContact CZ3-CB 4.23Å; W754-F762 HydrophobicContact CZ3-CD1 4.17Å; W754-L775 HydrophobicContact CH2-CD1 4.1Å; W754-L775 HydrophobicContact CZ3-CD1 4.13Å; W754-F799 VanDerWaalsContact O-CD2 3.26Å; W754-F799 WeakPolarHBondContact O-CD2 3.47Å; W754-I835 HydrophobicContact CH2-CD1 4.27Å; W754-I835 HydrophobicContact CZ3-CD1 4.42Å
755	S	92	Very high	91.1	Very high	9 Å²	9	24.9 Å²	24.9	6%	0.063	14%	0.136	C	C	.	.			trans	-62.3	136.8	165.8	175.5	0	0	0	0	110.5	P713 K757 S758 I761	P713-S755 WeakPolarHBondContact CG-O 3.34Å; S755-K757 VanDerWaalsContact C-N 3.26Å; S755-K757 PolarHBondContact O-N 2.9Å; S755-K757 PolarHBondContact OG-N 3.03Å; S755-S758 PolarHBondContact OG-N 3.28Å; S755-I761 WeakPolarHBondContact CB-O 3.45Å; S755-I761 PolarHBondContact N-O 3.11Å
756	P	88.6	Confident	91.7	Very high	46 Å²	46	23.9 Å²	23.9	30%	0.299	13%	0.13	S	C	.	.	S	Bend	trans	-79.5	-6.5	173.2	31.1	-32.2	0	0	0	113.1	F714 F799 A800	F714-P756 WeakPolarHBondContact CZ-O 3.38Å; P756-F799 HydrophobicContact CG-CB 4Å; P756-A800 VanDerWaalsContact CG-O 3.24Å; P756-A800 WeakPolarHBondContact CG-O 3.27Å
757	K	85.9	Confident	91.8	Very high	88 Å²	88	20.2 Å²	20.2	38%	0.383	11%	0.105	S	C	.	.	S	Bend	trans	-111.1	-24.8	179.4	-62.9	-164.7	-163.1	174	0	114.5	S755 Q802 D804	S755-K757 VanDerWaalsContact C-N 3.26Å; S755-K757 PolarHBondContact O-N 2.9Å; S755-K757 PolarHBondContact OG-N 3.03Å; K757-Q802 VanDerWaalsContact CE-O 3.29Å; K757-Q802 WeakPolarHBondContact CE-O 3.11Å; K757-Q802 PolarHBondContact NZ-O 3.47Å; K757-D804 WeakPolarHBondContact CD-OD1 3.48Å; K757-D804 WeakPolarHBondContact CE-OD1 3.32Å; K757-D804 IonicContact NZ-OD1 2.68Å; K757-D804 PolarHBondContact NZ-OD1 3.33Å; K757-D804 IonicContact NZ-OD2 3.76Å; K757-D804 PolarHBondContact NZ-OD2 3.42Å
758	S	85	Confident	91.8	Very high	14 Å²	14	23.2 Å²	23.2	10%	0.098	12%	0.118	C	C	.	.			trans	-122.6	138.8	-179.9	167.8	0	0	0	0	111.5	F714 S755 Y760 I761	F714-S758 VanDerWaalsContact CE2-C 3.49Å; S755-S758 PolarHBondContact OG-N 3.28Å; S758-Y760 VanDerWaalsContact C-N 3.34Å; S758-Y760 WeakPolarHBondContact OG-CD1 3.4Å; S758-Y760 WeakPolarHBondContact OG-CD2 3.43Å; S758-Y760 VanDerWaalsContact OG-CE1 3.28Å; S758-Y760 WeakPolarHBondContact OG-CE1 3.45Å; S758-Y760 VanDerWaalsContact OG-CE2 3.32Å; S758-Y760 WeakPolarHBondContact OG-CE2 3.23Å; S758-Y760 VanDerWaalsContact OG-CZ 3.26Å; S758-Y760 PolarHBondContact OG-N 2.98Å; S758-I761 PolarHBondContact OG-N 3.09Å
759	S	84.9	Confident	91.8	Very high	15 Å²	15	26.2 Å²	26.2	11%	0.105	13%	0.127	C	C	.	.	S	Bend	trans	-74	-23.2	176.1	61.6	0	0	0	0	113.4	N712 W754 D833 I835	N712-S759 PolarHBondContact ND2-O 3.13Å; W754-S759 WeakPolarHBondContact CZ3-O 3.28Å; S759-D833 PolarHBondContact OG-OD1 3.11Å; S759-I835 WeakPolarHBondContact O-CD1 3.35Å
760	Y	86.7	Confident	91.8	Very high	35 Å²	35	26.2 Å²	26.2	14%	0.137	13%	0.127	C	C	.	.	S	Bend	trans	-107.8	-3.2	-170.5	50.9	-93.7	0	0	0	114.7	S758 D774 L775 H776 A826 I834	S758-Y760 VanDerWaalsContact C-N 3.34Å; S758-Y760 WeakPolarHBondContact OG-CD1 3.4Å; S758-Y760 WeakPolarHBondContact OG-CD2 3.43Å; S758-Y760 VanDerWaalsContact OG-CE1 3.28Å; S758-Y760 WeakPolarHBondContact OG-CE1 3.45Å; S758-Y760 VanDerWaalsContact OG-CE2 3.32Å; S758-Y760 WeakPolarHBondContact OG-CE2 3.23Å; S758-Y760 VanDerWaalsContact OG-CZ 3.26Å; S758-Y760 PolarHBondContact OG-N 2.98Å; Y760-D774 VanDerWaalsContact CD2-OD1 3.26Å; Y760-D774 WeakPolarHBondContact CD2-OD1 3.31Å; Y760-D774 WeakPolarHBondContact CE2-OD2 3.34Å; Y760-L775 WeakPolarHBondContact O-CB 3.2Å; Y760-L775 WeakPolarHBondContact O-CG 3.43Å; Y760-L775 PolarHBondContact O-N 3.15Å; Y760-H776 HydrophobicContact CD2-CB 4.06Å; Y760-H776 HydrophobicContact CE2-CB 4.35Å; Y760-H776 HydrophobicContact CG-CB 4.48Å; Y760-A826 VanDerWaalsContact OH-CB 3.31Å; Y760-A826 WeakPolarHBondContact OH-CB 3.44Å; Y760-I834 HydrophobicContact CD1-CD1 4.04Å; Y760-I834 HydrophobicContact CE1-CD1 4.23Å
761	I	91.1	Very high	91.7	Very high	17 Å²	17	23 Å²	23	9%	0.087	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	131.6	179.4	-64	168	0	0	0	111.1	S755 S758 I772 W773 D774 M823	S755-I761 WeakPolarHBondContact CB-O 3.45Å; S755-I761 PolarHBondContact N-O 3.11Å; S758-I761 PolarHBondContact OG-N 3.09Å; I761-I772 HydrophobicContact CG2-CG2 4.1Å; I761-W773 VanDerWaalsContact CA-O 3.29Å; I761-W773 WeakPolarHBondContact CA-O 3.31Å; I761-D774 HydrophobicContact CG1-CB 4.29Å; I761-M823 HydrophobicContact CD1-CE 3.81Å; I761-M823 HydrophobicContact CG2-CE 4.42Å
762	F	93.9	Very high	91.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	161.5	169.7	70.9	-91.9	0	0	0	112	L720 V728 I730 F742 A753 W754 W773 L775	L720-F762 HydrophobicContact CD1-CD2 4.41Å; L720-F762 HydrophobicContact CD1-CE2 4.47Å; L720-F762 HydrophobicContact CD1-CG 4.5Å; L720-F762 HydrophobicContact CD2-CB 3.84Å; L720-F762 HydrophobicContact CD2-CD2 3.87Å; L720-F762 HydrophobicContact CD2-CG 3.89Å; V728-F762 HydrophobicContact CG1-CE2 3.85Å; V728-F762 HydrophobicContact CG1-CZ 4.27Å; I730-F762 HydrophobicContact CD1-CE1 4.27Å; F742-F762 HydrophobicContact CD2-CZ 4.08Å; F742-F762 HydrophobicContact CE2-CE1 4.29Å; F742-F762 HydrophobicContact CE2-CZ 4.07Å; A753-F762 CarbonylContact O-C 3.46Å; A753-F762 VanDerWaalsContact O-CA 3.31Å; A753-F762 WeakPolarHBondContact O-CA 3.47Å; A753-F762 WeakPolarHBondContact O-CB 3.3Å; W754-F762 HydrophobicContact CD2-CB 4.29Å; W754-F762 HydrophobicContact CE3-CB 3.89Å; W754-F762 HydrophobicContact CH2-CD1 4.5Å; W754-F762 HydrophobicContact CZ3-CB 4.23Å; W754-F762 HydrophobicContact CZ3-CD1 4.17Å; F762-W773 HydrophobicContact CD1-CB 3.8Å; F762-W773 HydrophobicContact CD2-CB 4.05Å; F762-W773 HydrophobicContact CD2-CG 4.3Å; F762-W773 HydrophobicContact CE1-CB 3.42Å; F762-W773 VanDerWaalsContact CE1-CB 3.42Å; F762-W773 AromaticContact CE1-CG 3.98Å; F762-W773 HydrophobicContact CE1-CG 3.98Å; F762-W773 HydrophobicContact CE2-CB 3.68Å; F762-W773 AromaticContact CE2-CD1 3.56Å; F762-W773 HydrophobicContact CE2-CD2 4.34Å; F762-W773 AromaticContact CE2-CG 3.55Å; F762-W773 HydrophobicContact CE2-CG 3.55Å; F762-W773 HydrophobicContact CG-CB 4.11Å; F762-W773 HydrophobicContact CZ-CB 3.35Å; F762-W773 AromaticContact CZ-CD1 3.87Å; F762-W773 AromaticContact CZ-CD2 3.89Å; F762-W773 HydrophobicContact CZ-CD2 3.89Å; F762-W773 HydrophobicContact CZ-CE3 4.4Å; F762-W773 AromaticContact CZ-CG 3.37Å; F762-W773 HydrophobicContact CZ-CG 3.37Å; F762-W773 PolarHBondContact N-O 3.49Å; F762-W773 VanDerWaalsContact N-O 3.08Å; F762-W773 PolarHBondContact O-N 3.16Å; F762-L775 HydrophobicContact CD1-CD1 4.42Å; F762-L775 HydrophobicContact CD1-CG 4.47Å; F762-L775 HydrophobicContact CE1-CD1 4.39Å; F762-L775 HydrophobicContact CE1-CD2 4.05Å; F762-L775 HydrophobicContact CE1-CG 4.19Å
763	A	95.4	Very high	91.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	147.4	173.8	0	0	0	0	0	111.1	V752 A753 E771 I772 I797 F799 L806	V752-A763 VanDerWaalsContact CA-O 3.28Å; V752-A763 WeakPolarHBondContact CA-O 3.4Å; A753-A763 PolarHBondContact N-O 3.02Å; A753-A763 PolarHBondContact O-N 3.13Å; A763-E771 CarbonylContact C-O 3.55Å; A763-E771 VanDerWaalsContact CA-O 3.27Å; A763-E771 WeakPolarHBondContact CA-O 3.33Å; A763-I772 HydrophobicContact CB-CG1 4.14Å; A763-I797 HydrophobicContact CB-CD1 4.25Å; A763-I797 HydrophobicContact CB-CG2 4.21Å; A763-F799 HydrophobicContact CB-CE2 3.75Å; A763-F799 HydrophobicContact CB-CZ 3.89Å; A763-L806 HydrophobicContact CB-CD1 4.13Å; A763-L806 HydrophobicContact CB-CD2 4.07Å
764	A	95.3	Very high	91.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	135.9	178.9	0	0	0	0	0	111.2	V728 V749 D751 V752 V770 E771 I797	V728-A764 HydrophobicContact CG2-CB 4.2Å; V749-A764 HydrophobicContact CG1-CB 4.28Å; D751-A764 WeakPolarHBondContact O-CA 3.26Å; V752-A764 HydrophobicContact CG1-CB 3.82Å; A764-V770 WeakPolarHBondContact O-CA 3.07Å; A764-E771 PolarHBondContact N-O 3.35Å; A764-E771 PolarHBondContact O-N 3.37Å; A764-I797 VanDerWaalsContact C-CD1 3.45Å
765	A	94.9	Very high	90.9	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	108.1	175.9	0	0	0	0	0	109.5	V749 Y750 D751 I797	V749-A765 CarbonylContact C-O 3.58Å; V749-A765 WeakPolarHBondContact CA-O 3.29Å; Y750-A765 PolarHBondContact N-O 3.09Å; D751-A765 HydrophobicContact CB-CB 4.17Å; D751-A765 PolarHBondContact O-N 2.91Å; A765-I797 HydrophobicContact CB-CD1 3.45Å; A765-I797 VanDerWaalsContact CB-CD1 3.45Å; A765-I797 HydrophobicContact CB-CG1 3.64Å
766	N	91.2	Very high	90.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	159.8	172.1	-62.8	-17.9	0	0	0	108.9	T745 V748 V749 N768 R769 E771	T745-N766 WeakPolarHBondContact CG2-ND2 3.26Å; T745-N766 PolarHBondContact OG1-ND2 3.35Å; V748-N766 WeakPolarHBondContact O-CA 3.46Å; V749-N766 WeakPolarHBondContact CG1-OD1 3.25Å; V749-N766 WeakPolarHBondContact CG2-OD1 3.3Å; N766-N768 PolarHBondContact O-N 3.1Å; N766-R769 WeakPolarHBondContact CA-O 3.29Å; N766-R769 HydrophobicContact CB-CG 4.02Å; N766-R769 PolarHBondContact N-O 2.92Å; N766-R769 PolarHBondContact O-N 3.15Å; N766-E771 PolarHBondContact ND2-OE1 3.19Å; N766-E771 PolarHBondContact ND2-OE2 2.73Å
767	E	87.7	Confident	90.2	Very high	44 Å²	44	28.7 Å²	28.7	21%	0.206	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.2	-47	-173	-63.8	-146.8	123.6	0	0	114.1	V748 Y750 K793 F794	V748-E767 HydrophobicContact CB-CG 4.03Å; V748-E767 PolarHBondContact O-N 2.76Å; V748-E767 VanDerWaalsContact O-N 3.13Å; Y750-E767 HydrophobicContact CE2-CB 4.42Å; Y750-E767 HydrophobicContact CE2-CG 3.88Å; Y750-E767 PolarHBondContact OH-OE1 3.04Å; E767-K793 HydrophobicContact CB-CD 4.3Å; E767-K793 CarbonylContact O-C 3.53Å; E767-K793 WeakPolarHBondContact O-CA 3.49Å; E767-K793 VanDerWaalsContact O-CB 3.3Å; E767-K793 WeakPolarHBondContact O-CB 3.48Å; E767-K793 IonicContact OE1-NZ 2.65Å; E767-K793 PolarHBondContact OE1-NZ 3.44Å; E767-K793 WeakPolarHBondContact OE2-CE 3.34Å; E767-K793 IonicContact OE2-NZ 2.73Å; E767-K793 PolarHBondContact OE2-NZ 2.89Å; E767-F794 PolarHBondContact O-N 2.95Å
768	N	90.1	Very high	90.1	Very high	86 Å²	86	26 Å²	26	46%	0.46	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	3.5	-172.1	-59.1	-5.7	0	0	0	113.7	N766 A788	N766-N768 PolarHBondContact O-N 3.1Å; N768-A788 WeakPolarHBondContact O-CB 3.5Å; N768-A788 PolarHBondContact O-N 3.25Å
769	R	92.6	Very high	90.1	Very high	91 Å²	91	28.1 Å²	28.1	34%	0.343	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	150.7	-174.5	58.6	178.7	61.5	169.6	-1.2	113.8	T745 N766 E771 V785 N786	T745-R769 HydrophobicContact CG2-CG 4.38Å; N766-R769 WeakPolarHBondContact CA-O 3.29Å; N766-R769 HydrophobicContact CB-CG 4.02Å; N766-R769 PolarHBondContact N-O 2.92Å; N766-R769 PolarHBondContact O-N 3.15Å; R769-E771 WeakPolarHBondContact CD-OE1 3.38Å; R769-E771 WeakPolarHBondContact CG-OE1 3.2Å; R769-V785 HydrophobicContact CB-CG1 4.36Å; R769-N786 CarbonylContact C-O 3.58Å; R769-N786 WeakPolarHBondContact CA-O 3.3Å; R769-N786 VanDerWaalsContact CB-O 3.27Å; R769-N786 WeakPolarHBondContact CB-O 3.31Å
770	V	94.5	Very high	90.1	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	132.4	166.6	172.6	0	0	0	0	108.8	A764 N786 F794 I797 L806 V808	A764-V770 WeakPolarHBondContact O-CA 3.07Å; V770-N786 PolarHBondContact N-O 3.18Å; V770-N786 PolarHBondContact O-N 3.39Å; V770-F794 HydrophobicContact CG2-CB 4.39Å; V770-F794 HydrophobicContact CG2-CD2 3.62Å; V770-F794 HydrophobicContact CG2-CE2 3.95Å; V770-F794 HydrophobicContact CG2-CG 4.05Å; V770-I797 HydrophobicContact CB-CD1 4.43Å; V770-I797 HydrophobicContact CG1-CD1 3.71Å; V770-I797 HydrophobicContact CG2-CD1 3.96Å; V770-I797 HydrophobicContact CG2-CG1 4.45Å; V770-L806 HydrophobicContact CG1-CD2 3.86Å; V770-V808 HydrophobicContact CG2-CB 4.41Å; V770-V808 HydrophobicContact CG2-CG1 3.6Å; V770-V808 HydrophobicContact CG2-CG2 3.87Å
771	E	93.8	Very high	90.2	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.009	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	136.8	178.6	-72.7	150.9	-154.4	0	0	109.9	P744 T745 A763 A764 N766 R769 P782 I784 V785	P744-E771 WeakPolarHBondContact CB-OE2 3.39Å; P744-E771 WeakPolarHBondContact CG-OE2 3.48Å; T745-E771 WeakPolarHBondContact CG2-OE1 3.49Å; A763-E771 CarbonylContact C-O 3.55Å; A763-E771 VanDerWaalsContact CA-O 3.27Å; A763-E771 WeakPolarHBondContact CA-O 3.33Å; A764-E771 PolarHBondContact N-O 3.35Å; A764-E771 PolarHBondContact O-N 3.37Å; N766-E771 PolarHBondContact ND2-OE1 3.19Å; N766-E771 PolarHBondContact ND2-OE2 2.73Å; R769-E771 WeakPolarHBondContact CD-OE1 3.38Å; R769-E771 WeakPolarHBondContact CG-OE1 3.2Å; E771-P782 HydrophobicContact CB-CB 4.17Å; E771-P782 HydrophobicContact CG-CB 4.26Å; E771-P782 HydrophobicContact CG-CG 4.43Å; E771-I784 WeakPolarHBondContact CA-O 3.28Å; E771-V785 HydrophobicContact CG-CG1 4.26Å; E771-V785 HydrophobicContact CG-CG2 4.25Å
772	I	94.4	Very high	90.2	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	129.1	173.5	-65.7	141.3	0	0	0	107.9	L471 I761 A763 L783 I784 L806 L820 M823	L471-I772 HydrophobicContact CD1-CD1 3.86Å; L471-I772 HydrophobicContact CD2-CD1 3.89Å; L471-I772 HydrophobicContact CG-CD1 4.3Å; I761-I772 HydrophobicContact CG2-CG2 4.1Å; A763-I772 HydrophobicContact CB-CG1 4.14Å; I772-L783 PolarHBondContact O-N 3.36Å; I772-I784 HydrophobicContact CB-CB 4.21Å; I772-I784 HydrophobicContact CD1-CB 4.14Å; I772-I784 HydrophobicContact CD1-CD1 4.13Å; I772-I784 PolarHBondContact N-O 3.04Å; I772-I784 PolarHBondContact O-N 3.36Å; I772-L806 HydrophobicContact CD1-CD2 4.1Å; I772-L806 HydrophobicContact CG1-CD2 4.2Å; I772-L820 HydrophobicContact CD1-CD2 3.57Å; I772-L820 HydrophobicContact CG1-CD2 4.34Å; I772-M823 HydrophobicContact CG2-CE 4.17Å
773	W	92.8	Very high	90	Very high	3 Å²	3	41 Å²	41	1%	0.011	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	135.4	-173.2	-74	77.3	0	0	0	109.7	F742 P744 I761 F762 L780 D781 P782	F742-W773 AromaticContact CD1-CE3 3.96Å; F742-W773 HydrophobicContact CD1-CE3 3.96Å; F742-W773 HydrophobicContact CD1-CH2 4.31Å; F742-W773 AromaticContact CD1-CZ3 3.67Å; F742-W773 HydrophobicContact CD1-CZ3 3.67Å; F742-W773 HydrophobicContact CE1-CE3 4.27Å; F742-W773 HydrophobicContact CE1-CZ3 4.25Å; F742-W773 HydrophobicContact CG-CZ3 4.4Å; P744-W773 HydrophobicContact CB-CH2 4.29Å; P744-W773 HydrophobicContact CB-CZ2 3.52Å; P744-W773 HydrophobicContact CG-CZ2 4.36Å; I761-W773 VanDerWaalsContact CA-O 3.29Å; I761-W773 WeakPolarHBondContact CA-O 3.31Å; F762-W773 HydrophobicContact CD1-CB 3.8Å; F762-W773 HydrophobicContact CD2-CB 4.05Å; F762-W773 HydrophobicContact CD2-CG 4.3Å; F762-W773 HydrophobicContact CE1-CB 3.42Å; F762-W773 VanDerWaalsContact CE1-CB 3.42Å; F762-W773 AromaticContact CE1-CG 3.98Å; F762-W773 HydrophobicContact CE1-CG 3.98Å; F762-W773 HydrophobicContact CE2-CB 3.68Å; F762-W773 AromaticContact CE2-CD1 3.56Å; F762-W773 HydrophobicContact CE2-CD2 4.34Å; F762-W773 AromaticContact CE2-CG 3.55Å; F762-W773 HydrophobicContact CE2-CG 3.55Å; F762-W773 HydrophobicContact CG-CB 4.11Å; F762-W773 HydrophobicContact CZ-CB 3.35Å; F762-W773 AromaticContact CZ-CD1 3.87Å; F762-W773 AromaticContact CZ-CD2 3.89Å; F762-W773 HydrophobicContact CZ-CD2 3.89Å; F762-W773 HydrophobicContact CZ-CE3 4.4Å; F762-W773 AromaticContact CZ-CG 3.37Å; F762-W773 HydrophobicContact CZ-CG 3.37Å; F762-W773 PolarHBondContact N-O 3.49Å; F762-W773 VanDerWaalsContact N-O 3.08Å; F762-W773 PolarHBondContact O-N 3.16Å; W773-L780 WeakPolarHBondContact CH2-O 3.19Å; W773-D781 VanDerWaalsContact CZ3-C 3.44Å; W773-P782 HydrophobicContact CD2-CB 4.31Å; W773-P782 HydrophobicContact CH2-CB 4.42Å; W773-P782 HydrophobicContact CZ2-CB 3.68Å; W773-P782 VanDerWaalsContact CZ2-CD 3.5Å; W773-P782 HydrophobicContact CZ2-CG 4Å
774	D	90.1	Very high	89.9	Confident	3 Å²	3	41.6 Å²	41.6	2%	0.016	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	105.4	173.5	-171.6	-42.4	0	0	0	109.1	Y760 I761 H776 I777 S778 L783	Y760-D774 VanDerWaalsContact CD2-OD1 3.26Å; Y760-D774 WeakPolarHBondContact CD2-OD1 3.31Å; Y760-D774 WeakPolarHBondContact CE2-OD2 3.34Å; I761-D774 HydrophobicContact CG1-CB 4.29Å; D774-H776 PolarHBondContact O-N 3.32Å; D774-H776 WeakPolarHBondContact OD1-CA 3.31Å; D774-H776 WeakPolarHBondContact OD1-CB 3.41Å; D774-H776 PolarHBondContact OD1-N 3.34Å; D774-I777 HydrophobicContact CB-CB 4.37Å; D774-I777 HydrophobicContact CB-CD1 3.94Å; D774-I777 HydrophobicContact CB-CG1 4.22Å; D774-I777 PolarHBondContact O-N 3.14Å; D774-I777 VanDerWaalsContact O-N 3.12Å; D774-I777 PolarHBondContact OD1-N 3.25Å; D774-S778 PolarHBondContact O-N 3.4Å; D774-S778 VanDerWaalsContact O-O 3.05Å; D774-L783 HydrophobicContact CB-CB 4.43Å; D774-L783 HydrophobicContact CB-CD2 4.03Å
775	L	87.4	Confident	89.7	Confident	9 Å²	9	44.6 Å²	44.6	5%	0.047	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-11.5	-176.3	-63.2	168.4	0	0	0	113.8	I730 L740 F742 W754 Y760 F762 T779	I730-L775 HydrophobicContact CD1-CD1 3.61Å; I730-L775 HydrophobicContact CD1-CD2 4.04Å; I730-L775 HydrophobicContact CD1-CG 4.46Å; L740-L775 HydrophobicContact CD1-CD2 4.44Å; F742-L775 HydrophobicContact CE1-CD2 4.13Å; F742-L775 HydrophobicContact CE2-CD2 4.5Å; F742-L775 HydrophobicContact CZ-CD2 3.59Å; W754-L775 HydrophobicContact CH2-CD1 4.1Å; W754-L775 HydrophobicContact CZ3-CD1 4.13Å; Y760-L775 WeakPolarHBondContact O-CB 3.2Å; Y760-L775 WeakPolarHBondContact O-CG 3.43Å; Y760-L775 PolarHBondContact O-N 3.15Å; F762-L775 HydrophobicContact CD1-CD1 4.42Å; F762-L775 HydrophobicContact CD1-CG 4.47Å; F762-L775 HydrophobicContact CE1-CD1 4.39Å; F762-L775 HydrophobicContact CE1-CD2 4.05Å; F762-L775 HydrophobicContact CE1-CG 4.19Å; L775-T779 HydrophobicContact CD2-CG2 4.21Å
776	H	82.8	Confident	89.6	Confident	109 Å²	109	46.1 Å²	46.1	51%	0.505	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-33.9	172.7	-174.5	34.8	0	0	0	111.6	Y760 D774 I834	Y760-H776 HydrophobicContact CD2-CB 4.06Å; Y760-H776 HydrophobicContact CE2-CB 4.35Å; Y760-H776 HydrophobicContact CG-CB 4.48Å; D774-H776 PolarHBondContact O-N 3.32Å; D774-H776 WeakPolarHBondContact OD1-CA 3.31Å; D774-H776 WeakPolarHBondContact OD1-CB 3.41Å; D774-H776 PolarHBondContact OD1-N 3.34Å; H776-I834 HydrophobicContact CB-CD1 4.04Å
777	I	83.1	Confident	89.6	Confident	85 Å²	85	50 Å²	50	44%	0.436	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-50.2	-173.6	-55.9	171.2	0	0	0	111.2	D774 L783 P824	D774-I777 HydrophobicContact CB-CB 4.37Å; D774-I777 HydrophobicContact CB-CD1 3.94Å; D774-I777 HydrophobicContact CB-CG1 4.22Å; D774-I777 PolarHBondContact O-N 3.14Å; D774-I777 VanDerWaalsContact O-N 3.12Å; D774-I777 PolarHBondContact OD1-N 3.25Å; I777-L783 HydrophobicContact CD1-CD1 3.92Å; I777-L783 HydrophobicContact CD1-CD2 4.1Å; I777-P824 HydrophobicContact CD1-CB 3.92Å; I777-P824 HydrophobicContact CD1-CG 3.62Å
778	S	84.8	Confident	89.7	Confident	33 Å²	33	48.6 Å²	48.6	23%	0.231	26%	0.261	C	S	.	.			trans	-147.7	134.1	-179.2	-171.7	0	0	0	0	112.1	D774 L780 D781	D774-S778 PolarHBondContact O-N 3.4Å; D774-S778 VanDerWaalsContact O-O 3.05Å; S778-L780 PolarHBondContact OG-N 3.23Å; S778-D781 WeakPolarHBondContact CB-O 3.25Å; S778-D781 PolarHBondContact OG-N 3.35Å; S778-D781 VanDerWaalsContact OG-N 3.09Å; S778-D781 PolarHBondContact OG-O 3.18Å
779	T	84.6	Confident	89.6	Confident	57 Å²	57	49.7 Å²	49.7	35%	0.35	27%	0.267	S	S	.	.	S	Bend	trans	-104.2	6.6	169.7	53.3	0	0	0	0	112.4	F742 L775	F742-T779 WeakPolarHBondContact CE1-O 3.29Å; L775-T779 HydrophobicContact CD2-CG2 4.21Å
780	L	85.9	Confident	89.3	Confident	140 Å²	140	51.8 Å²	51.8	73%	0.733	29%	0.292	S	S	*	.	S	Bend	trans	-113	-40.1	-177.4	-59.8	180	0	0	0	112.5	W773 S778	W773-L780 WeakPolarHBondContact CH2-O 3.19Å; S778-L780 PolarHBondContact OG-N 3.23Å
781	D	88.4	Confident	88.9	Confident	108 Å²	108	55.7 Å²	55.7	58%	0.578	33%	0.332	S	S	*	.	S	Bend	trans	-129.8	146.4	-171.1	-63.7	-69.9	0	0	0	111.2	W773 S778	W773-D781 VanDerWaalsContact CZ3-C 3.44Å; S778-D781 WeakPolarHBondContact CB-O 3.25Å; S778-D781 PolarHBondContact OG-N 3.35Å; S778-D781 VanDerWaalsContact OG-N 3.09Å; S778-D781 PolarHBondContact OG-O 3.18Å
782	P	91.1	Very high	88.7	Confident	37 Å²	37	57.2 Å²	57.2	24%	0.24	34%	0.34	C	S	.	.			trans	-69.2	146	177.1	28.7	-33.5	0	0	0	111.5	E771 W773 V785	E771-P782 HydrophobicContact CB-CB 4.17Å; E771-P782 HydrophobicContact CG-CB 4.26Å; E771-P782 HydrophobicContact CG-CG 4.43Å; W773-P782 HydrophobicContact CD2-CB 4.31Å; W773-P782 HydrophobicContact CH2-CB 4.42Å; W773-P782 HydrophobicContact CZ2-CB 3.68Å; W773-P782 VanDerWaalsContact CZ2-CD 3.5Å; W773-P782 HydrophobicContact CZ2-CG 4Å; P782-V785 HydrophobicContact CB-CG2 3.97Å; P782-V785 HydrophobicContact CG-CG2 3.41Å; P782-V785 VanDerWaalsContact CG-CG2 3.41Å
783	L	90.3	Very high	88.6	Confident	54 Å²	54	60.6 Å²	60.6	28%	0.283	36%	0.355	S	S	.	.	S	Bend	trans	-73.3	-40.7	176.1	-179	68.3	0	0	0	111.8	A469 I772 D774 I777 M823	A469-L783 HydrophobicContact CB-CD1 4.48Å; A469-L783 HydrophobicContact CB-CD2 4.04Å; A469-L783 HydrophobicContact CB-CG 4.13Å; I772-L783 PolarHBondContact O-N 3.36Å; D774-L783 HydrophobicContact CB-CB 4.43Å; D774-L783 HydrophobicContact CB-CD2 4.03Å; I777-L783 HydrophobicContact CD1-CD1 3.92Å; I777-L783 HydrophobicContact CD1-CD2 4.1Å; L783-M823 HydrophobicContact CD2-CE 3.84Å; L783-M823 HydrophobicContact CD2-SD 4.36Å
784	I	91.8	Very high	88.7	Confident	11 Å²	11	61 Å²	61	6%	0.056	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	137	178.6	-46.7	176.2	0	0	0	109.3	A469 L471 E771 I772 L820 M823	A469-I784 HydrophobicContact CB-CD1 3.89Å; A469-I784 HydrophobicContact CB-CG1 4Å; L471-I784 HydrophobicContact CB-CG2 4.05Å; E771-I784 WeakPolarHBondContact CA-O 3.28Å; I772-I784 HydrophobicContact CB-CB 4.21Å; I772-I784 HydrophobicContact CD1-CB 4.14Å; I772-I784 HydrophobicContact CD1-CD1 4.13Å; I772-I784 PolarHBondContact N-O 3.04Å; I772-I784 PolarHBondContact O-N 3.36Å; I784-L820 HydrophobicContact CD1-CD2 4.49Å; I784-M823 HydrophobicContact CD1-SD 3.77Å
785	V	92.6	Very high	88.8	Confident	64 Å²	64	62 Å²	62	39%	0.388	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	107.6	175	-172.1	0	0	0	0	110	R769 E771 P782	R769-V785 HydrophobicContact CB-CG1 4.36Å; E771-V785 HydrophobicContact CG-CG1 4.26Å; E771-V785 HydrophobicContact CG-CG2 4.25Å; P782-V785 HydrophobicContact CB-CG2 3.97Å; P782-V785 HydrophobicContact CG-CG2 3.41Å; P782-V785 VanDerWaalsContact CG-CG2 3.41Å
786	N	92.2	Very high	89.2	Confident	31 Å²	31	62.1 Å²	62.1	17%	0.166	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	125.5	175.6	173.1	30.8	0	0	0	110	L471 R769 V770 Y818	L471-N786 HydrophobicContact CD2-CB 3.73Å; R769-N786 CarbonylContact C-O 3.58Å; R769-N786 WeakPolarHBondContact CA-O 3.3Å; R769-N786 VanDerWaalsContact CB-O 3.27Å; R769-N786 WeakPolarHBondContact CB-O 3.31Å; V770-N786 PolarHBondContact N-O 3.18Å; V770-N786 PolarHBondContact O-N 3.39Å; N786-Y818 VanDerWaalsContact ND2-CE1 3.32Å; N786-Y818 WeakPolarHBondContact ND2-CE1 2.96Å; N786-Y818 PolarHBondContact ND2-OH 3.47Å
787	T	92	Very high	89.8	Confident	81 Å²	81	57.2 Å²	57.2	50%	0.497	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	138.6	-173.2	-58.5	0	0	0	0	111.4
788	A	88.9	Confident	90.5	Very high	16 Å²	16	55 Å²	55	13%	0.132	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-69.5	156.2	177.8	0	0	0	0	0	112.6	N768 I792 F794	N768-A788 WeakPolarHBondContact O-CB 3.5Å; N768-A788 PolarHBondContact O-N 3.25Å; A788-I792 WeakPolarHBondContact CB-O 3.31Å; A788-F794 HydrophobicContact CB-CD2 4.05Å; A788-F794 HydrophobicContact CB-CE1 4.17Å; A788-F794 HydrophobicContact CB-CE2 3.64Å; A788-F794 HydrophobicContact CB-CZ 3.71Å
789	N	88	Confident	91	Very high	109 Å²	109	54.1 Å²	54.1	58%	0.583	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-62.5	146.5	169.6	-70.8	-32.3	0	0	0	110.9	G791 I792	N789-G791 PolarHBondContact O-N 3.32Å; N789-I792 HydrophobicContact CB-CD1 4.15Å; N789-I792 HydrophobicContact CB-CG1 4.43Å; N789-I792 PolarHBondContact O-N 2.92Å
790	P	86.5	Confident	91.3	Very high	135 Å²	135	51.5 Å²	51.5	88%	0.877	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	122.5	-178.5	-28.1	35.5	0	0	0	113.4
791	G	85.2	Confident	91.3	Very high	81 Å²	81	51.7 Å²	51.7	84%	0.835	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.3	-12.8	179.8	0	0	0	0	0	115.4	N789	N789-G791 PolarHBondContact O-N 3.32Å
792	I	91	Very high	91.2	Very high	35 Å²	35	52.7 Å²	52.7	18%	0.179	30%	0.303	C	S	.	.			trans	-88.9	140.3	170.6	-57.9	-173.6	0	0	0	109.1	A788 N789 D810	A788-I792 WeakPolarHBondContact CB-O 3.31Å; N789-I792 HydrophobicContact CB-CD1 4.15Å; N789-I792 HydrophobicContact CB-CG1 4.43Å; N789-I792 PolarHBondContact O-N 2.92Å; I792-D810 HydrophobicContact CG2-CB 3.67Å
793	K	91.5	Very high	91.1	Very high	72 Å²	72	51.6 Å²	51.6	31%	0.313	30%	0.295	S	S	.	.			trans	-114.2	143.1	171.6	-68.6	-171.4	167.2	-170.9	0	111.6	E767 D810 S811	E767-K793 HydrophobicContact CB-CD 4.3Å; E767-K793 CarbonylContact O-C 3.53Å; E767-K793 WeakPolarHBondContact O-CA 3.49Å; E767-K793 VanDerWaalsContact O-CB 3.3Å; E767-K793 WeakPolarHBondContact O-CB 3.48Å; E767-K793 IonicContact OE1-NZ 2.65Å; E767-K793 PolarHBondContact OE1-NZ 3.44Å; E767-K793 WeakPolarHBondContact OE2-CE 3.34Å; E767-K793 IonicContact OE2-NZ 2.73Å; E767-K793 PolarHBondContact OE2-NZ 2.89Å; K793-D810 CarbonylContact O-C 3.49Å; K793-D810 VanDerWaalsContact O-CA 3.25Å; K793-D810 WeakPolarHBondContact O-CA 3.15Å; K793-D810 WeakPolarHBondContact O-CB 3.17Å; K793-S811 PolarHBondContact N-OG 3.11Å; K793-S811 PolarHBondContact O-N 2.87Å
794	F	94	Very high	91	Very high	10 Å²	10	51.4 Å²	51.4	4%	0.044	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	143.7	168.9	-61.8	-48.2	0	0	0	110.5	Y750 E767 V770 A788 V808 D810	Y750-F794 VanDerWaalsContact CD2-O 3.29Å; Y750-F794 WeakPolarHBondContact CD2-O 3.04Å; E767-F794 PolarHBondContact O-N 2.95Å; V770-F794 HydrophobicContact CG2-CB 4.39Å; V770-F794 HydrophobicContact CG2-CD2 3.62Å; V770-F794 HydrophobicContact CG2-CE2 3.95Å; V770-F794 HydrophobicContact CG2-CG 4.05Å; A788-F794 HydrophobicContact CB-CD2 4.05Å; A788-F794 HydrophobicContact CB-CE1 4.17Å; A788-F794 HydrophobicContact CB-CE2 3.64Å; A788-F794 HydrophobicContact CB-CZ 3.71Å; F794-V808 HydrophobicContact CB-CG1 4.03Å; F794-V808 HydrophobicContact CD1-CG1 3.34Å; F794-V808 HydrophobicContact CD2-CG1 4.39Å; F794-V808 HydrophobicContact CE1-CG1 3.78Å; F794-V808 HydrophobicContact CG-CG1 3.69Å; F794-V808 HydrophobicContact CZ-CG1 4.44Å; F794-D810 HydrophobicContact CD1-CB 4.23Å
795	T	93.3	Very high	91.1	Very high	26 Å²	26	51 Å²	51	16%	0.16	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	-36.7	-171.6	57.5	0	0	0	0	114.1	V487 Y750 G809	V487-T795 WeakPolarHBondContact O-CB 3.34Å; V487-T795 PolarHBondContact O-OG1 3.48Å; Y750-T795 WeakPolarHBondContact CB-O 3.25Å; T795-G809 PolarHBondContact N-O 3.34Å; T795-G809 PolarHBondContact OG1-O 3.26Å
796	T	95.1	Very high	91.2	Very high	10 Å²	10	48 Å²	48	6%	0.061	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	148.1	-173.9	59.2	0	0	0	0	112.2	V487 S488 L490 D751 G809	V487-T796 WeakPolarHBondContact CG1-OG1 3.33Å; S488-T796 WeakPolarHBondContact O-CG2 3.39Å; L490-T796 WeakPolarHBondContact CD1-OG1 3.41Å; D751-T796 WeakPolarHBondContact OD2-CA 3.45Å; T796-G809 PolarHBondContact O-N 3.05Å
797	I	96.9	Very high	91.4	Very high	6 Å²	6	46.5 Å²	46.5	3%	0.031	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	140.7	175.9	-71.8	179	0	0	0	111.2	D751 A753 A763 A764 A765 V770 L806 L807	D751-I797 PolarHBondContact OD2-N 3.15Å; A753-I797 HydrophobicContact CB-CG2 4.13Å; A763-I797 HydrophobicContact CB-CD1 4.25Å; A763-I797 HydrophobicContact CB-CG2 4.21Å; A764-I797 VanDerWaalsContact C-CD1 3.45Å; A765-I797 HydrophobicContact CB-CD1 3.45Å; A765-I797 VanDerWaalsContact CB-CD1 3.45Å; A765-I797 HydrophobicContact CB-CG1 3.64Å; V770-I797 HydrophobicContact CB-CD1 4.43Å; V770-I797 HydrophobicContact CG1-CD1 3.71Å; V770-I797 HydrophobicContact CG2-CD1 3.96Å; V770-I797 HydrophobicContact CG2-CG1 4.45Å; I797-L806 HydrophobicContact CG2-CD1 3.51Å; I797-L806 HydrophobicContact CG2-CG 4.18Å; I797-L807 WeakPolarHBondContact CA-O 3.4Å
798	L	96.4	Very high	91.6	Very high	40 Å²	40	42.7 Å²	42.7	21%	0.209	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	121.2	171.4	-178.4	60.5	0	0	0	111.4	L490 W492 L500 L807	L490-L798 HydrophobicContact CB-CB 3.97Å; L490-L798 HydrophobicContact CB-CD2 3.74Å; L490-L798 HydrophobicContact CD1-CB 4.02Å; W492-L798 VanDerWaalsContact CD1-CD2 3.4Å; W492-L798 HydrophobicContact CG-CD2 4.04Å; L500-L798 HydrophobicContact CD1-CD2 4.04Å; L798-L807 HydrophobicContact CB-CB 4.38Å; L798-L807 PolarHBondContact N-O 2.7Å; L798-L807 WeakPolarHBondContact O-CB 3.26Å; L798-L807 PolarHBondContact O-N 3.13Å
799	F	95.1	Very high	92	Very high	13 Å²	13	41.9 Å²	41.9	6%	0.057	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	143.1	167.9	-80.1	-90.3	0	0	0	111.1	A753 W754 P756 A763 L806 L820	A753-F799 HydrophobicContact CB-CD2 3.8Å; A753-F799 HydrophobicContact CB-CE2 4.11Å; A753-F799 WeakPolarHBondContact O-CE2 3.36Å; W754-F799 VanDerWaalsContact O-CD2 3.26Å; W754-F799 WeakPolarHBondContact O-CD2 3.47Å; P756-F799 HydrophobicContact CG-CB 4Å; A763-F799 HydrophobicContact CB-CE2 3.75Å; A763-F799 HydrophobicContact CB-CZ 3.89Å; F799-L806 HydrophobicContact CD1-CD1 3.81Å; F799-L806 HydrophobicContact CD2-CD1 3.75Å; F799-L806 HydrophobicContact CE1-CD1 3.82Å; F799-L806 HydrophobicContact CE2-CD1 3.73Å; F799-L806 HydrophobicContact CG-CD1 3.79Å; F799-L806 HydrophobicContact CZ-CD1 3.77Å; F799-L820 HydrophobicContact CD1-CD1 4.34Å; F799-L820 HydrophobicContact CE1-CD1 3.8Å
800	A	92.4	Very high	92.3	Very high	2 Å²	2	37.1 Å²	37.1	2%	0.017	21%	0.211	C	C	.	.			trans	-69.7	139.1	162	0	0	0	0	0	109.9	Y422 P756 T803 C805	Y422-A800 HydrophobicContact CE2-CB 4.39Å; P756-A800 VanDerWaalsContact CG-O 3.24Å; P756-A800 WeakPolarHBondContact CG-O 3.27Å; A800-T803 VanDerWaalsContact CB-OG1 3.26Å; A800-T803 WeakPolarHBondContact CB-OG1 3.45Å; A800-C805 HydrophobicContact CB-CB 4.11Å; A800-C805 PolarHBondContact N-O 3.27Å
801	K	85.9	Confident	92.6	Very high	145 Å²	145	32 Å²	32	63%	0.63	18%	0.178	S	C	*	.	S	Bend	trans	-79.7	-20.1	-175.1	-72	-175.5	177.1	-179.8	0	114.7
802	Q	85.5	Confident	92.9	Very high	128 Å²	128	30.1 Å²	30.1	60%	0.598	15%	0.149	S	C	*	.	S	Bend	trans	-111.5	-30.5	-172.7	-66.7	178	-11.6	0	0	112.4	K757	K757-Q802 VanDerWaalsContact CE-O 3.29Å; K757-Q802 WeakPolarHBondContact CE-O 3.11Å; K757-Q802 PolarHBondContact NZ-O 3.47Å
803	T	88.6	Confident	92.9	Very high	14 Å²	14	28.4 Å²	28.4	9%	0.086	14%	0.141	C	C	.	.	S	Bend	trans	-118.3	156.8	-170.5	60.3	0	0	0	0	110.3	Y422 A800 C805	Y422-T803 HydrophobicContact CD1-CG2 4.17Å; Y422-T803 HydrophobicContact CE1-CG2 3.91Å; Y422-T803 WeakPolarHBondContact CE2-OG1 3.35Å; Y422-T803 WeakPolarHBondContact O-CB 3.41Å; Y422-T803 WeakPolarHBondContact O-CG2 3.36Å; A800-T803 VanDerWaalsContact CB-OG1 3.26Å; A800-T803 WeakPolarHBondContact CB-OG1 3.45Å; T803-C805 PolarHBondContact O-N 3.17Å
804	D	88.6	Confident	93.1	Very high	51 Å²	51	27.2 Å²	27.2	27%	0.273	14%	0.136	S	C	.	.	S	Bend	trans	-81.3	63.3	177.6	-63.5	-49.2	0	0	0	110.9	Q424 K757 L820	Q424-D804 PolarHBondContact NE2-OD2 2.81Å; Q424-D804 PolarHBondContact OE1-OD2 3.43Å; K757-D804 WeakPolarHBondContact CD-OD1 3.48Å; K757-D804 WeakPolarHBondContact CE-OD1 3.32Å; K757-D804 IonicContact NZ-OD1 2.68Å; K757-D804 PolarHBondContact NZ-OD1 3.33Å; K757-D804 IonicContact NZ-OD2 3.76Å; K757-D804 PolarHBondContact NZ-OD2 3.42Å; D804-L820 HydrophobicContact CB-CB 4.35Å; D804-L820 PolarHBondContact O-N 2.84Å
805	C	93.1	Very high	93.2	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.014	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	141	-174.9	-62.7	0	0	0	0	112.5	Y422 A800 T803 V817 Y818	Y422-C805 HydrophobicContact CD2-CB 3.89Å; Y422-C805 WeakPolarHBondContact CD2-SG 3.37Å; Y422-C805 HydrophobicContact CE2-CB 3.77Å; A800-C805 HydrophobicContact CB-CB 4.11Å; A800-C805 PolarHBondContact N-O 3.27Å; T803-C805 PolarHBondContact O-N 3.17Å; C805-V817 HydrophobicContact CB-CG1 4.48Å; C805-Y818 CarbonylContact C-O 3.53Å; C805-Y818 WeakPolarHBondContact CA-O 3.21Å; C805-Y818 WeakPolarHBondContact CB-O 3.47Å
806	L	95.4	Very high	93.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	125.5	-179.2	-166.7	66.6	0	0	0	109.7	L471 A763 V770 I772 I797 F799 V808 Y818	L471-L806 HydrophobicContact CD1-CB 4.35Å; L471-L806 HydrophobicContact CD1-CD2 4.48Å; L471-L806 HydrophobicContact CD2-CD2 4.46Å; A763-L806 HydrophobicContact CB-CD1 4.13Å; A763-L806 HydrophobicContact CB-CD2 4.07Å; V770-L806 HydrophobicContact CG1-CD2 3.86Å; I772-L806 HydrophobicContact CD1-CD2 4.1Å; I772-L806 HydrophobicContact CG1-CD2 4.2Å; I797-L806 HydrophobicContact CG2-CD1 3.51Å; I797-L806 HydrophobicContact CG2-CG 4.18Å; F799-L806 HydrophobicContact CD1-CD1 3.81Å; F799-L806 HydrophobicContact CD2-CD1 3.75Å; F799-L806 HydrophobicContact CE1-CD1 3.82Å; F799-L806 HydrophobicContact CE2-CD1 3.73Å; F799-L806 HydrophobicContact CG-CD1 3.79Å; F799-L806 HydrophobicContact CZ-CD1 3.77Å; L806-V808 HydrophobicContact CD2-CG2 4.45Å; L806-V808 HydrophobicContact CG-CG2 4.41Å; L806-Y818 PolarHBondContact N-O 3.43Å; L806-Y818 PolarHBondContact O-N 3.28Å
807	L	96.3	Very high	93.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	131.1	173.2	-79.1	67.9	0	0	0	109.2	L490 W492 L500 I797 L798 V815 S816 V817	L490-L807 HydrophobicContact CD1-CB 4.29Å; W492-L807 HydrophobicContact CH2-CD2 4.17Å; W492-L807 HydrophobicContact CZ2-CD1 3.8Å; W492-L807 HydrophobicContact CZ2-CD2 3.45Å; W492-L807 VanDerWaalsContact CZ2-CD2 3.45Å; W492-L807 HydrophobicContact CZ2-CG 4.29Å; L500-L807 HydrophobicContact CD1-CD2 3.92Å; L500-L807 HydrophobicContact CD2-CD2 3.56Å; L500-L807 HydrophobicContact CG-CD2 4.37Å; I797-L807 WeakPolarHBondContact CA-O 3.4Å; L798-L807 HydrophobicContact CB-CB 4.38Å; L798-L807 PolarHBondContact N-O 2.7Å; L798-L807 WeakPolarHBondContact O-CB 3.26Å; L798-L807 PolarHBondContact O-N 3.13Å; L807-V815 HydrophobicContact CB-CG1 4.19Å; L807-V815 HydrophobicContact CD2-CG1 4.21Å; L807-V815 HydrophobicContact CG-CG1 4.4Å; L807-S816 WeakPolarHBondContact CA-O 3.44Å; L807-V817 HydrophobicContact CD1-CG1 4.11Å; L807-V817 HydrophobicContact CD1-CG2 4.46Å; L807-V817 HydrophobicContact CG-CG2 4.14Å
808	V	96.9	Very high	93.3	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.006	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	119.3	179	-173.1	0	0	0	0	108.8	V770 F794 L806 V815 S816 Y818	V770-V808 HydrophobicContact CG2-CB 4.41Å; V770-V808 HydrophobicContact CG2-CG1 3.6Å; V770-V808 HydrophobicContact CG2-CG2 3.87Å; F794-V808 HydrophobicContact CB-CG1 4.03Å; F794-V808 HydrophobicContact CD1-CG1 3.34Å; F794-V808 HydrophobicContact CD2-CG1 4.39Å; F794-V808 HydrophobicContact CE1-CG1 3.78Å; F794-V808 HydrophobicContact CG-CG1 3.69Å; F794-V808 HydrophobicContact CZ-CG1 4.44Å; L806-V808 HydrophobicContact CD2-CG2 4.45Å; L806-V808 HydrophobicContact CG-CG2 4.41Å; V808-V815 CarbonylContact O-C 3.53Å; V808-V815 WeakPolarHBondContact O-CA 3.38Å; V808-S816 PolarHBondContact N-O 3.29Å; V808-S816 PolarHBondContact O-N 2.81Å; V808-Y818 HydrophobicContact CB-CD2 4.44Å; V808-Y818 HydrophobicContact CB-CE2 4.11Å; V808-Y818 HydrophobicContact CG2-CD2 3.88Å; V808-Y818 HydrophobicContact CG2-CE2 3.88Å
809	G	95.9	Very high	93.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	144.2	171.9	0	0	0	0	0	111.5	T795 T796	T795-G809 PolarHBondContact N-O 3.34Å; T795-G809 PolarHBondContact OG1-O 3.26Å; T796-G809 PolarHBondContact O-N 3.05Å
810	D	94.3	Very high	92.9	Very high	8 Å²	8	26 Å²	26	4%	0.043	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	178.7	-178.7	81.1	13	0	0	0	115	V487 I792 K793 F794 D812 G813 Q814	V487-D810 PolarHBondContact N-O 2.86Å; I792-D810 HydrophobicContact CG2-CB 3.67Å; K793-D810 CarbonylContact O-C 3.49Å; K793-D810 VanDerWaalsContact O-CA 3.25Å; K793-D810 WeakPolarHBondContact O-CA 3.15Å; K793-D810 WeakPolarHBondContact O-CB 3.17Å; F794-D810 HydrophobicContact CD1-CB 4.23Å; D810-D812 WeakPolarHBondContact OD1-CA 3.4Å; D810-D812 PolarHBondContact OD1-N 3.05Å; D810-G813 PolarHBondContact OD1-N 3.33Å; D810-Q814 PolarHBondContact N-O 3.18Å; D810-Q814 VanDerWaalsContact N-O 3.11Å; D810-Q814 PolarHBondContact OD1-N 3.35Å; D810-Q814 WeakPolarHBondContact OD2-CB 3.35Å
811	S	92.4	Very high	92.6	Very high	27 Å²	27	29.5 Å²	29.5	19%	0.189	14%	0.141	C	C	.	.	S	Bend	trans	-80.2	-13.4	178.9	63	0	0	0	0	115.4	K793	K793-S811 PolarHBondContact N-OG 3.11Å; K793-S811 PolarHBondContact O-N 2.87Å
812	D	91.6	Very high	92.3	Very high	42 Å²	42	26.4 Å²	26.4	23%	0.225	13%	0.131	C	C	.	.	S	Bend	trans	-95	-6.6	177.9	-171.3	48.6	0	0	0	112.1	K483 G484 D810 Q814	K483-D812 CarbonylContact C-O 3.48Å; K483-D812 VanDerWaalsContact CA-O 3.24Å; K483-D812 WeakPolarHBondContact CA-O 3.15Å; G484-D812 PolarHBondContact N-O 3.28Å; G484-D812 PolarHBondContact N-OD1 2.95Å; D810-D812 WeakPolarHBondContact OD1-CA 3.4Å; D810-D812 PolarHBondContact OD1-N 3.05Å; D812-Q814 PolarHBondContact OD2-NE2 3Å
813	G	92.1	Very high	92	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	92.5	26.3	177.3	0	0	0	0	0	113.8	T482 L485 Y504 D810	T482-G813 WeakPolarHBondContact CB-O 3.46Å; T482-G813 PolarHBondContact OG1-O 3.44Å; L485-G813 WeakPolarHBondContact O-CA 3.14Å; L485-G813 PolarHBondContact O-N 2.67Å; Y504-G813 WeakPolarHBondContact CE1-O 3.45Å; D810-G813 PolarHBondContact OD1-N 3.33Å
814	Q	94.8	Very high	90.9	Very high	46 Å²	46	24.2 Å²	24.2	22%	0.215	13%	0.126	C	C	.	.			trans	-103.6	142.2	172	-41.1	-174.2	23.3	0	0	109.6	F477 D810 D812	F477-Q814 WeakPolarHBondContact O-CA 3.47Å; D810-Q814 PolarHBondContact N-O 3.18Å; D810-Q814 VanDerWaalsContact N-O 3.11Å; D810-Q814 PolarHBondContact OD1-N 3.35Å; D810-Q814 WeakPolarHBondContact OD2-CB 3.35Å; D812-Q814 PolarHBondContact OD2-NE2 3Å
815	V	96.9	Very high	89.6	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	100.8	168.4	-176	0	0	0	0	108.1	S476 F477 V487 L490 L500 V502 L807 V808	S476-V815 CarbonylContact C-O 3.53Å; S476-V815 WeakPolarHBondContact CA-O 3.38Å; F477-V815 HydrophobicContact CB-CB 4.29Å; F477-V815 HydrophobicContact CD2-CB 4.28Å; F477-V815 HydrophobicContact CD2-CG1 4.42Å; F477-V815 PolarHBondContact N-O 3.42Å; F477-V815 PolarHBondContact O-N 3.47Å; V487-V815 HydrophobicContact CG1-CG2 4.23Å; V487-V815 HydrophobicContact CG2-CG2 3.84Å; L490-V815 HydrophobicContact CD1-CG1 4.25Å; L490-V815 HydrophobicContact CD2-CG1 3.92Å; L490-V815 HydrophobicContact CD2-CG2 3.79Å; L500-V815 HydrophobicContact CD2-CG1 4.33Å; V502-V815 HydrophobicContact CG1-CG2 3.82Å; V502-V815 HydrophobicContact CG2-CG2 4.03Å; L807-V815 HydrophobicContact CB-CG1 4.19Å; L807-V815 HydrophobicContact CD2-CG1 4.21Å; L807-V815 HydrophobicContact CG-CG1 4.4Å; V808-V815 CarbonylContact O-C 3.53Å; V808-V815 WeakPolarHBondContact O-CA 3.38Å
816	S	95.7	Very high	87.5	Confident	9 Å²	9	29.9 Å²	29.9	6%	0.063	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	131.8	179.7	-70.8	0	0	0	0	111	S476 L807 V808 Y818	S476-S816 PolarHBondContact OG-OG 3.15Å; L807-S816 WeakPolarHBondContact CA-O 3.44Å; V808-S816 PolarHBondContact N-O 3.29Å; V808-S816 PolarHBondContact O-N 2.81Å; S816-Y818 VanDerWaalsContact CB-CE2 3.41Å
817	V	96.1	Very high	85.2	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.012	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	120.8	174.9	-171.6	0	0	0	0	108.3	Y422 L474 W475 F477 C805 L807	Y422-V817 HydrophobicContact CD2-CG1 4.16Å; Y422-V817 HydrophobicContact CE2-CG1 4.28Å; L474-V817 PolarHBondContact N-O 3.44Å; W475-V817 HydrophobicContact CD2-CB 4.15Å; W475-V817 HydrophobicContact CD2-CG2 4.2Å; W475-V817 HydrophobicContact CG-CG2 4.43Å; W475-V817 HydrophobicContact CH2-CG1 4.16Å; W475-V817 HydrophobicContact CZ2-CB 4.16Å; W475-V817 HydrophobicContact CZ2-CG1 4.03Å; W475-V817 HydrophobicContact CZ2-CG2 3.85Å; W475-V817 PolarHBondContact O-N 2.84Å; F477-V817 HydrophobicContact CD2-CG2 3.91Å; F477-V817 HydrophobicContact CE2-CG2 3.48Å; F477-V817 VanDerWaalsContact CE2-CG2 3.48Å; F477-V817 HydrophobicContact CZ-CG2 4.35Å; C805-V817 HydrophobicContact CB-CG1 4.48Å; L807-V817 HydrophobicContact CD1-CG1 4.11Å; L807-V817 HydrophobicContact CD1-CG2 4.46Å; L807-V817 HydrophobicContact CG-CG2 4.14Å
818	Y	95	Very high	82.7	Confident	20 Å²	20	43.6 Å²	43.6	8%	0.078	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	145	179.3	-65.7	-94.3	0	0	0	111.7	L471 E472 R473 N786 C805 L806 V808 S816	L471-Y818 VanDerWaalsContact CD1-CB 3.48Å; L471-Y818 HydrophobicContact CD1-CG 4.24Å; L471-Y818 HydrophobicContact CD2-CD1 4.12Å; L471-Y818 HydrophobicContact CD2-CG 4.08Å; L471-Y818 HydrophobicContact CG-CD1 3.74Å; L471-Y818 HydrophobicContact CG-CG 3.81Å; E472-Y818 CarbonylContact O-C 3.55Å; E472-Y818 WeakPolarHBondContact O-CA 3.33Å; R473-Y818 HydrophobicContact CB-CD1 3.72Å; R473-Y818 HydrophobicContact CB-CE1 3.56Å; R473-Y818 HydrophobicContact CG-CD1 4.27Å; R473-Y818 HydrophobicContact CG-CE1 4Å; N786-Y818 VanDerWaalsContact ND2-CE1 3.32Å; N786-Y818 WeakPolarHBondContact ND2-CE1 2.96Å; N786-Y818 PolarHBondContact ND2-OH 3.47Å; C805-Y818 CarbonylContact C-O 3.53Å; C805-Y818 WeakPolarHBondContact CA-O 3.21Å; C805-Y818 WeakPolarHBondContact CB-O 3.47Å; L806-Y818 PolarHBondContact N-O 3.43Å; L806-Y818 PolarHBondContact O-N 3.28Å; V808-Y818 HydrophobicContact CB-CD2 4.44Å; V808-Y818 HydrophobicContact CB-CE2 4.11Å; V808-Y818 HydrophobicContact CG2-CD2 3.88Å; V808-Y818 HydrophobicContact CG2-CE2 3.88Å; S816-Y818 VanDerWaalsContact CB-CE2 3.41Å
819	E	93.2	Very high	80	Confident	30 Å²	30	48.9 Å²	48.9	14%	0.14	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	138.1	170.5	-169.1	-170	153.5	0	0	110.4	L471 E472 L474 R821	L471-E819 CarbonylContact C-O 3.53Å; L471-E819 WeakPolarHBondContact CA-O 3.42Å; E472-E819 PolarHBondContact N-O 2.93Å; E472-E819 PolarHBondContact O-N 2.93Å; L474-E819 HydrophobicContact CD1-CB 4.13Å; L474-E819 HydrophobicContact CD2-CB 4.12Å; L474-E819 HydrophobicContact CG-CB 4.07Å; E819-R821 HydrophobicContact CG-CG 4.08Å; E819-R821 VanDerWaalsContact OE1-CG 3.26Å; E819-R821 WeakPolarHBondContact OE1-CG 3.41Å; E819-R821 IonicContact OE1-CZ 3.64Å; E819-R821 IonicContact OE1-NE 2.99Å; E819-R821 PolarHBondContact OE1-NE 3.29Å; E819-R821 IonicContact OE1-NH2 2.71Å; E819-R821 IonicContact OE2-CZ 2.89Å; E819-R821 VanDerWaalsContact OE2-CZ 3.3Å; E819-R821 IonicContact OE2-NE 2.73Å; E819-R821 PolarHBondContact OE2-NE 2.94Å; E819-R821 VanDerWaalsContact OE2-NE 3.12Å; E819-R821 IonicContact OE2-NH2 3.8Å; E819-R821 PolarHBondContact OE2-NH2 3.48Å
820	L	90.8	Very high	77.5	Confident	18 Å²	18	51 Å²	51	9%	0.094	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	93.7	176.2	-70.3	153.6	0	0	0	109.7	L471 I772 I784 F799 D804 M823	L471-L820 HydrophobicContact CD1-CD2 3.71Å; L471-L820 HydrophobicContact CD1-CG 4.03Å; I772-L820 HydrophobicContact CD1-CD2 3.57Å; I772-L820 HydrophobicContact CG1-CD2 4.34Å; I784-L820 HydrophobicContact CD1-CD2 4.49Å; F799-L820 HydrophobicContact CD1-CD1 4.34Å; F799-L820 HydrophobicContact CE1-CD1 3.8Å; D804-L820 HydrophobicContact CB-CB 4.35Å; D804-L820 PolarHBondContact O-N 2.84Å; L820-M823 HydrophobicContact CB-CG 3.81Å; L820-M823 HydrophobicContact CB-SD 4.28Å; L820-M823 HydrophobicContact CD2-SD 4.01Å
821	R	85.3	Confident	75.3	Confident	76 Å²	76	60.1 Å²	60.1	29%	0.287	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	149.4	-179.9	-71.3	-161.1	-177	139.6	22.3	112.6	A469 N470 E472 E819 M823	A469-R821 WeakPolarHBondContact CA-O 3.43Å; N470-R821 PolarHBondContact N-O 3.15Å; N470-R821 PolarHBondContact O-N 2.81Å; E472-R821 VanDerWaalsContact CD-CZ 3.47Å; E472-R821 IonicContact OE1-CZ 3.55Å; E472-R821 IonicContact OE1-NH1 3.88Å; E472-R821 PolarHBondContact OE1-NH1 2.7Å; E472-R821 IonicContact OE1-NH2 2.66Å; E472-R821 PolarHBondContact OE1-NH2 3.12Å; E472-R821 IonicContact OE2-CZ 3.79Å; E472-R821 IonicContact OE2-NH1 3.63Å; E472-R821 PolarHBondContact OE2-NH1 2.86Å; E472-R821 IonicContact OE2-NH2 2.83Å; E819-R821 HydrophobicContact CG-CG 4.08Å; E819-R821 VanDerWaalsContact OE1-CG 3.26Å; E819-R821 WeakPolarHBondContact OE1-CG 3.41Å; E819-R821 IonicContact OE1-CZ 3.64Å; E819-R821 IonicContact OE1-NE 2.99Å; E819-R821 PolarHBondContact OE1-NE 3.29Å; E819-R821 IonicContact OE1-NH2 2.71Å; E819-R821 IonicContact OE2-CZ 2.89Å; E819-R821 VanDerWaalsContact OE2-CZ 3.3Å; E819-R821 IonicContact OE2-NE 2.73Å; E819-R821 PolarHBondContact OE2-NE 2.94Å; E819-R821 VanDerWaalsContact OE2-NE 3.12Å; E819-R821 IonicContact OE2-NH2 3.8Å; E819-R821 PolarHBondContact OE2-NH2 3.48Å; R821-M823 PolarHBondContact O-N 2.96Å; R821-M823 VanDerWaalsContact O-N 3.16Å
822	N	79.5	Confident	73.2	Confident	80 Å²	80	61.4 Å²	61.4	43%	0.428	34%	0.344	S	S	.	.	S	Bend	trans	52.5	31.2	178.7	-42.6	-36.7	0	0	0	114.1	I467 P468 A469 P824	I467-N822 WeakPolarHBondContact CB-ND2 3.38Å; I467-N822 VanDerWaalsContact CG2-ND2 3.28Å; I467-N822 WeakPolarHBondContact CG2-ND2 3.49Å; I467-N822 VanDerWaalsContact O-CB 3.23Å; I467-N822 WeakPolarHBondContact O-CB 3.4Å; I467-N822 PolarHBondContact O-ND2 3.18Å; P468-N822 PolarHBondContact O-ND2 3.2Å; A469-N822 WeakPolarHBondContact CB-O 3.44Å; N822-P824 WeakPolarHBondContact O-CD 3.34Å
823	M	80.1	Confident	71.8	Confident	36 Å²	36	62.3 Å²	62.3	18%	0.177	35%	0.349	C	S	.	.			trans	-59.9	130	170.8	-66.6	-58.6	-63.3	0	0	109.1	A469 I761 I772 L783 I784 L820 R821 T825	A469-M823 HydrophobicContact CB-SD 4.29Å; I761-M823 HydrophobicContact CD1-CE 3.81Å; I761-M823 HydrophobicContact CG2-CE 4.42Å; I772-M823 HydrophobicContact CG2-CE 4.17Å; L783-M823 HydrophobicContact CD2-CE 3.84Å; L783-M823 HydrophobicContact CD2-SD 4.36Å; I784-M823 HydrophobicContact CD1-SD 3.77Å; L820-M823 HydrophobicContact CB-CG 3.81Å; L820-M823 HydrophobicContact CB-SD 4.28Å; L820-M823 HydrophobicContact CD2-SD 4.01Å; R821-M823 PolarHBondContact O-N 2.96Å; R821-M823 VanDerWaalsContact O-N 3.16Å; M823-T825 PolarHBondContact O-N 2.8Å; M823-T825 PolarHBondContact O-OG1 3.46Å
824	P	65.8	Low	70.5	Confident	61 Å²	61	64 Å²	64	40%	0.396	36%	0.357	S	S	.	.			trans	-65.1	97	-178.4	-28.8	40.5	0	0	0	112.3	I777 N822 A826	I777-P824 HydrophobicContact CD1-CB 3.92Å; I777-P824 HydrophobicContact CD1-CG 3.62Å; N822-P824 WeakPolarHBondContact O-CD 3.34Å; P824-A826 PolarHBondContact O-N 3.34Å
825	T	59.7	Low	69.3	Low	135 Å²	135	62.2 Å²	62.2	83%	0.828	35%	0.349	S	S	*	.			trans	-67.3	97	179.2	-55	0	0	0	0	109.9	M823 L827	M823-T825 PolarHBondContact O-N 2.8Å; M823-T825 PolarHBondContact O-OG1 3.46Å; T825-L827 PolarHBondContact O-N 3.18Å; T825-L827 VanDerWaalsContact O-N 3.15Å
826	A	50.5	Low	68	Low	36 Å²	36	65.4 Å²	65.4	30%	0.298	37%	0.366	S	S	.	.			trans	-55.2	121.1	175.2	0	0	0	0	0	110.2	Y760 P824	Y760-A826 VanDerWaalsContact OH-CB 3.31Å; Y760-A826 WeakPolarHBondContact OH-CB 3.44Å; P824-A826 PolarHBondContact O-N 3.34Å
827	L	47.2	Very low	66.7	Low	146 Å²	146	70 Å²	70	76%	0.764	39%	0.394	S	S	*	.			trans	-57.5	138.7	-175.1	-157	76	0	0	0	110.6	T825 S829 G830	T825-L827 PolarHBondContact O-N 3.18Å; T825-L827 VanDerWaalsContact O-N 3.15Å; L827-S829 PolarHBondContact O-N 2.89Å; L827-G830 PolarHBondContact O-N 3.39Å; L827-G830 VanDerWaalsContact O-N 3.09Å
828	E	43.9	Very low	65.4	Low	143 Å²	143	73.4 Å²	73.4	67%	0.668	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-60.9	-13	-165.5	-63.1	-157.2	91.7	0	0	115.9	G830 R831	E828-G830 PolarHBondContact O-N 2.71Å; E828-R831 IonicContact OE1-CZ 3.59Å; E828-R831 IonicContact OE1-NE 2.81Å; E828-R831 IonicContact OE1-NH2 3.32Å; E828-R831 PolarHBondContact OE1-NH2 2.89Å
829	S	39.3	Very low	64	Low	111 Å²	111	73.9 Å²	73.9	78%	0.776	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-63.8	-12.7	173.1	48.4	0	0	0	0	114.4	L827	L827-S829 PolarHBondContact O-N 2.89Å
830	G	43.8	Very low	62.1	Low	45 Å²	45	74.2 Å²	74.2	46%	0.464	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-95.2	11.4	-173.2	0	0	0	0	0	117.7	L827 E828 G832	L827-G830 PolarHBondContact O-N 3.39Å; L827-G830 VanDerWaalsContact O-N 3.09Å; E828-G830 PolarHBondContact O-N 2.71Å; G830-G832 PolarHBondContact O-N 3.49Å
831	R	47.1	Very low	59.9	Low	200 Å²	200	78.4 Å²	78.4	76%	0.755	46%	0.458	S	S	*	.			trans	-71.9	28.1	-173.3	-59.9	-172.6	-170.7	-153.7	0.5	116.4	E828	E828-R831 IonicContact OE1-CZ 3.59Å; E828-R831 IonicContact OE1-NE 2.81Å; E828-R831 IonicContact OE1-NH2 3.32Å; E828-R831 PolarHBondContact OE1-NH2 2.89Å
832	G	48.5	Very low	58.1	Low	53 Å²	53	81.6 Å²	81.6	55%	0.546	47%	0.474	S	S	.	.	S	Bend	trans	-90.9	113	158.1	0	0	0	0	0	107.5	G830 I834	G830-G832 PolarHBondContact O-N 3.49Å; G832-I834 PolarHBondContact O-N 3.42Å; G832-I834 VanDerWaalsContact O-N 3.15Å
833	D	61.7	Low	56.1	Low	62 Å²	62	82 Å²	82	33%	0.332	48%	0.483	S	S	.	.			trans	-47.8	120.8	-163.7	-91.4	-69.1	0	0	0	113.3	S759 I835 D836 T837	S759-D833 PolarHBondContact OG-OD1 3.11Å; D833-I835 PolarHBondContact O-N 3.41Å; D833-D836 HydrophobicContact CB-CB 3.86Å; D833-D836 CarbonylContact O-C 3.57Å; D833-D836 PolarHBondContact O-N 2.79Å; D833-T837 PolarHBondContact O-N 2.89Å; D833-T837 PolarHBondContact O-OG1 2.87Å
834	I	66.4	Low	54.1	Low	36 Å²	36	87.6 Å²	87.6	19%	0.185	51%	0.514	C	S	.	.	H	α-helix	trans	-61.8	-32.5	175.6	-65.7	157.4	0	0	0	109.5	Y760 H776 G832 T837 L838	Y760-I834 HydrophobicContact CD1-CD1 4.04Å; Y760-I834 HydrophobicContact CE1-CD1 4.23Å; H776-I834 HydrophobicContact CB-CD1 4.04Å; G832-I834 PolarHBondContact O-N 3.42Å; G832-I834 VanDerWaalsContact O-N 3.15Å; I834-T837 WeakPolarHBondContact O-CB 3.3Å; I834-T837 PolarHBondContact O-N 2.9Å; I834-L838 HydrophobicContact CG2-CD1 4.2Å; I834-L838 WeakPolarHBondContact O-CB 3.28Å; I834-L838 VanDerWaalsContact O-CG 3.28Å; I834-L838 WeakPolarHBondContact O-CG 3.33Å; I834-L838 PolarHBondContact O-N 2.91Å
835	I	69	Low	52.4	Low	8 Å²	8	93 Å²	93	4%	0.041	53%	0.533	C	S	.	.	H	α-helix	trans	-62.2	-49.5	169.9	-76.3	-179	0	0	0	111.2	N712 C715 V718 W754 S759 D833 T837 L838 L839	N712-I835 WeakPolarHBondContact ND2-CD1 3.43Å; C715-I835 HydrophobicContact CB-CG2 4.02Å; V718-I835 HydrophobicContact CG2-CG2 3.76Å; W754-I835 HydrophobicContact CH2-CD1 4.27Å; W754-I835 HydrophobicContact CZ3-CD1 4.42Å; S759-I835 WeakPolarHBondContact O-CD1 3.35Å; D833-I835 PolarHBondContact O-N 3.41Å; I835-T837 PolarHBondContact O-N 3.48Å; I835-L838 CarbonylContact O-C 3.6Å; I835-L838 PolarHBondContact O-N 3.04Å; I835-L838 VanDerWaalsContact O-N 3.12Å; I835-L839 HydrophobicContact CG2-CD1 3.72Å; I835-L839 HydrophobicContact CG2-CG 4.13Å; I835-L839 WeakPolarHBondContact O-CB 3.18Å; I835-L839 WeakPolarHBondContact O-CG 3.2Å; I835-L839 PolarHBondContact O-N 3.21Å
836	D	68.9	Low	51.3	Low	66 Å²	66	92.4 Å²	92.4	35%	0.353	53%	0.532	S	S	.	.	H	α-helix	trans	-63.8	-29.7	176.7	-78.3	29.4	0	0	0	112.2	C715 D833 G840	C715-D836 PolarHBondContact SG-OD1 3.48Å; D833-D836 HydrophobicContact CB-CB 3.86Å; D833-D836 CarbonylContact O-C 3.57Å; D833-D836 PolarHBondContact O-N 2.79Å; D836-G840 CarbonylContact O-C 3.58Å; D836-G840 PolarHBondContact O-N 3.13Å
837	T	69.3	Low	50.6	Low	107 Å²	107	99.1 Å²	99.1	66%	0.656	59%	0.588	S	S	*	*	H	α-helix	trans	-69.7	-40.2	173.3	-54.4	0	0	0	0	111.7	D833 I834 I835 G840	D833-T837 PolarHBondContact O-N 2.89Å; D833-T837 PolarHBondContact O-OG1 2.87Å; I834-T837 WeakPolarHBondContact O-CB 3.3Å; I834-T837 PolarHBondContact O-N 2.9Å; I835-T837 PolarHBondContact O-N 3.48Å; T837-G840 PolarHBondContact O-N 2.9Å
838	L	68.9	Low	50.7	Low	72 Å²	72	96.8 Å²	96.8	38%	0.377	58%	0.579	S	S	.	*	H	α-helix	trans	-70.7	-39.8	173.9	-73.2	166.9	0	0	0	112.3	F739 I834 I835 G840	F739-L838 HydrophobicContact CE1-CB 4.43Å; F739-L838 HydrophobicContact CZ-CB 4.07Å; F739-L838 WeakPolarHBondContact CZ-O 3.28Å; I834-L838 HydrophobicContact CG2-CD1 4.2Å; I834-L838 WeakPolarHBondContact O-CB 3.28Å; I834-L838 VanDerWaalsContact O-CG 3.28Å; I834-L838 WeakPolarHBondContact O-CG 3.33Å; I834-L838 PolarHBondContact O-N 2.91Å; I835-L838 CarbonylContact O-C 3.6Å; I835-L838 PolarHBondContact O-N 3.04Å; I835-L838 VanDerWaalsContact O-N 3.12Å; L838-G840 PolarHBondContact O-N 3.37Å
839	L	65.8	Low	51.1	Low	30 Å²	30	94.4 Å²	94.4	16%	0.157	57%	0.574	C	S	.	*	H	α-helix	trans	-65.7	-20.7	174.6	-69.8	172.8	0	0	0	112.2	V718 Q732 F739 I835	V718-L839 HydrophobicContact CG2-CD1 3.82Å; V718-L839 HydrophobicContact CG2-CD2 4.3Å; Q732-L839 HydrophobicContact CB-CD2 4.15Å; Q732-L839 HydrophobicContact CG-CD2 4.05Å; F739-L839 HydrophobicContact CD1-CD2 4.18Å; F739-L839 HydrophobicContact CD2-CD2 4.07Å; F739-L839 HydrophobicContact CE1-CD2 4.02Å; F739-L839 HydrophobicContact CE2-CD2 3.91Å; F739-L839 HydrophobicContact CG-CD2 4.22Å; F739-L839 HydrophobicContact CZ-CD2 3.89Å; F739-L839 HydrophobicContact CZ-CG 4.4Å; I835-L839 HydrophobicContact CG2-CD1 3.72Å; I835-L839 HydrophobicContact CG2-CG 4.13Å; I835-L839 WeakPolarHBondContact O-CB 3.18Å; I835-L839 WeakPolarHBondContact O-CG 3.2Å; I835-L839 PolarHBondContact O-N 3.21Å
840	G	52.5	Low	51.8	Low	37 Å²	37	93.4 Å²	93.4	38%	0.381	56%	0.563	S	S	.	*			trans	84.9	148.8	-173.7	0	0	0	0	0	112.1	D836 T837 L838 K842	D836-G840 CarbonylContact O-C 3.58Å; D836-G840 PolarHBondContact O-N 3.13Å; T837-G840 PolarHBondContact O-N 2.9Å; L838-G840 PolarHBondContact O-N 3.37Å; G840-K842 PolarHBondContact O-N 3.49Å
841	S	44.4	Very low	52.2	Low	106 Å²	106	96.3 Å²	96.3	74%	0.741	57%	0.569	S	S	*	*			trans	-60.5	134.7	177.2	55.5	0	0	0	0	111	S843	S841-S843 PolarHBondContact O-N 3.43Å; S841-S843 PolarHBondContact O-OG 3.32Å
842	K	47.7	Very low	52.5	Low	143 Å²	143	89.8 Å²	89.8	62%	0.622	56%	0.557	S	S	*	*			trans	-68.4	67.3	-178.4	-67.3	-173.6	176.9	-176.7	0	112.3	D717 G840	D717-K842 IonicContact OD2-NZ 3.57Å; D717-K842 PolarHBondContact OD2-NZ 2.84Å; G840-K842 PolarHBondContact O-N 3.49Å
843	S	37.7	Very low	52.8	Low	88 Å²	88	92.3 Å²	92.3	62%	0.615	56%	0.558	S	S	*	*			trans	-82.6	135.3	173	55.6	0	0	0	0	110.4	S841	S841-S843 PolarHBondContact O-N 3.43Å; S841-S843 PolarHBondContact O-OG 3.32Å
844	N	37.6	Very low	52.2	Low	155 Å²	155	94.4 Å²	94.4	83%	0.829	57%	0.574	S	S	*	*			trans	71.3	64.3	179.6	-48.1	-41.7	0	0	0	116.8
845	Q	29.6	Very low	51.1	Low	174 Å²	174	98.9 Å²	98.9	81%	0.813	60%	0.604	S	S	*	*				-91.6	124.2	129.8	-74.4	-173.1	-9.5	0	0	108
846	P	37.2	Very low	49.6	Very low	123 Å²	123	106.5 Å²	106.5	80%	0.799	65%	0.651	S	S	*	*			trans	-71.4	150.2	164.4	31.6	-32.8	0	0	0	109.9
847	A	35.6	Very low	47.8	Very low	177 Å²	177	110.2 Å²	110.2	100%	1.463	68%	0.678	S	S	*	*			trans	-79.9	0	-179.5	0	0	0	0	0	113.5

Retrieved 847 of 847 residues in 250.5 ms (Link to these results)

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