A0A5K4EPR3_SCHMA Loading...

DUF4139 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EPR3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,057 aa.

						>A0A5K4EPR3_SCHMA|A0A5K4EPR3
MSTTVGVSDITADQSEINRESYISYPSYEIDNTPSQSSFGHLNHLNHDEYQTRLNGGEDEYLPGDIKENISGNNNSNEDIPTNDDRSEYTNMKTEESYHDSTCPSHSEQELDQDILKNEHGKNELIPEQNMECLNIQNVENQQKLSFNQIKEDLEKKNVIGSLQPLRPEQYIMHHQAGLIKQQEMLVLNPQTGDVLSDQYSSHHQTNTITTGGTHHFARNITSTNSVVVPSGGNVSGPPVGSGTVAGQQKGSTIYPKTGQNPIDGGTNGGVGANSSGSAGGGPSKSGTLVGGGLDRSRQVYNMFECQMSQLTVFLDRALICRRIRPRFNASDITEVVFEHLSPAIDKDSIRVEIRGAATILDVSFSAKSLSGEEDTWSQCVNELLVELRQCRRRADNLVNRIIRTEKQRCVLETFADSLSRREDEILLGGSHYGHTTLNNIPNHTGVVDQVNNISSQGATLSGGTTPANAQMAATTAEHKCINDVTNPYDPKNVETLHKFLEIYKDEAERFDTVLMDTTEELEQVRTRIETLEKEVRDIELKQDEHLARELSVLVEPRETGQVEMLVSYVVNRCGWKPAYDIRIFNNDGTMKIVYYGMVQQATGEDWETRYMTLSTAQPGIGGTVPHLGIQRVHFRRDISPDSSRQLQSVDKSNLNEKTSRLPSAGTTPTYSKRISANAAVFYQTPPLQRPDFTRGLNDNISYEMTDRLSEYYDNSTEYCSTLGRSDSMASTTLHSSLGRRNKLHPRSKSRETIRTITQRDGITPSGTLQRGGSIESTYATGLRSSSTRPISRRTLGSSMLFNSVTSQSPLLTNRTSNLMNSQPALLPTPQQPTPSVGTVATIQLEVPRPPAIIRCDNEPNRVTVGLLDLQPRYEYVTVPKRSLYAYLKATAVNNTEFSILAGPTNIYADNTFIGKSEIRAVAPGEEFNCHLGAENGIKILYRPLFKYREGTGSSGKNATMTFKQLIEVRNTFDRRVRLMVVDQVPVSAEDKIKVNLLEPTIKHPEKYDKNRPIRMNKFNNVEWDLDLGPGEIRELTLKYSVEHPINEDLDVSVSEN
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.6	Very low	32.5	Very low	117 Å²	117	116.6 Å²	116.6	58%	0.576	71%	0.71	S	S	*	*				0	108.1	0	-12.2	61.1	-116.8	0	0	107	T3 N225 V227	M1-T3 HydrophobicContact CB-CG2 4.37Å; M1-T3 VanDerWaalsContact CB-OG1 3.3Å; M1-T3 WeakPolarHBondContact CB-OG1 3.36Å; M1-N225 CarbonylContact C-O 3.57Å; M1-N225 VanDerWaalsContact CA-O 3.24Å; M1-N225 WeakPolarHBondContact CA-O 3.48Å; M1-N225 WeakPolarHBondContact CE-O 3.49Å; M1-N225 VanDerWaalsContact CG-O 3.23Å; M1-N225 WeakPolarHBondContact CG-O 3.34Å; M1-N225 PolarHBondContact N-ND2 3.36Å; M1-N225 PolarHBondContact N-O 2.73Å; M1-N225 PolarHBondContact N-OD1 3.36Å; M1-V227 HydrophobicContact CE-CB 3.86Å; M1-V227 HydrophobicContact CE-CG2 3.32Å; M1-V227 HydrophobicContact SD-CB 4.33Å; M1-V227 HydrophobicContact SD-CG2 4.24Å
2	S	27.9	Very low	32.5	Very low	50 Å²	50	114.3 Å²	114.3	35%	0.35	71%	0.712	S	S	.	*			cis	88.4	2	0.7	-23	0	0	0	0	114.7	N225 S226	S2-N225 WeakPolarHBondContact CA-O 3.45Å; S2-N225 PolarHBondContact N-O 2.93Å; S2-N225 PolarHBondContact OG-N 3.41Å; S2-S226 WeakPolarHBondContact CB-OG 3.49Å
3	T	33	Very low	32.3	Very low	113 Å²	113	118.1 Å²	118.1	69%	0.693	72%	0.724	S	S	*	*			trans	-140.1	77	-176	32.3	0	0	0	0	108.8	M1 V5	M1-T3 HydrophobicContact CB-CG2 4.37Å; M1-T3 VanDerWaalsContact CB-OG1 3.3Å; M1-T3 WeakPolarHBondContact CB-OG1 3.36Å; T3-V5 PolarHBondContact O-N 2.9Å
4	T	34.3	Very low	32.2	Very low	131 Å²	131	121.4 Å²	121.4	80%	0.804	73%	0.728	S	S	*	*			trans	-52.2	131.5	161	-45.7	0	0	0	0	108.6	G6	T4-G6 VanDerWaalsContact C-N 3.27Å; T4-G6 PolarHBondContact O-N 2.9Å
5	V	35.1	Very low	32.1	Very low	138 Å²	138	119.7 Å²	119.7	84%	0.836	72%	0.724	S	S	*	*			trans	-74.3	87.6	170.4	-179.7	0	0	0	0	107.9	T3	T3-V5 PolarHBondContact O-N 2.9Å
6	G	30.3	Very low	32.1	Very low	60 Å²	60	124.2 Å²	124.2	62%	0.619	73%	0.734	S	S	*	*			trans	-75.7	121.1	166	0	0	0	0	0	109.2	T4 S8	T4-G6 VanDerWaalsContact C-N 3.27Å; T4-G6 PolarHBondContact O-N 2.9Å; G6-S8 PolarHBondContact O-N 3.07Å
7	V	33.7	Very low	31.9	Very low	125 Å²	125	126.1 Å²	126.1	76%	0.758	74%	0.738	S	S	*	*			trans	-67.2	113.7	166	177.4	0	0	0	0	107.1
8	S	31.4	Very low	31.7	Very low	108 Å²	108	128.2 Å²	128.2	76%	0.755	75%	0.746	S	S	*	*			trans	-91.3	105.8	175.1	56.8	0	0	0	0	109.4	G6	G6-S8 PolarHBondContact O-N 3.07Å
9	D	31.1	Very low	31.3	Very low	146 Å²	146	133.3 Å²	133.3	78%	0.781	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-59.5	150.3	177.4	-70.7	-57.8	0	0	0	112.8
10	I	35.1	Very low	31.2	Very low	169 Å²	169	135.3 Å²	135.3	87%	0.867	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-71.5	134.6	174.5	-67.6	175.4	0	0	0	109.3
11	T	32.1	Very low	31	Very low	126 Å²	126	133.3 Å²	133.3	77%	0.773	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-70.8	133.2	-172	50	0	0	0	0	114.1
12	A	32	Very low	30.8	Very low	89 Å²	89	137.5 Å²	137.5	74%	0.736	76%	0.761	S	S	*	*			trans	59.6	106.6	144.8	0	0	0	0	0	118.7
13	D	30	Very low	31	Very low	163 Å²	163	142.6 Å²	142.6	87%	0.872	78%	0.782	S	S	*	*				-120.1	165.9	114.6	-153.6	-7.9	0	0	0	109.4
14	Q	31.7	Very low	30.7	Very low	165 Å²	165	141.7 Å²	141.7	77%	0.771	78%	0.781	S	S	*	*			trans	-108.5	158.8	-170	-72.5	-179.6	12.5	0	0	110.6
15	S	30.7	Very low	30.3	Very low	95 Å²	95	145.7 Å²	145.7	66%	0.664	78%	0.783	S	S	*	*			cis	-168.9	161.5	-6	42.2	0	0	0	0	111.1
16	E	31.4	Very low	30.8	Very low	192 Å²	192	144.5 Å²	144.5	90%	0.897	78%	0.778	S	S	*	*			trans	73.8	159	149.6	-79.3	-178.4	168.6	0	0	122
17	I	28.5	Very low	30.9	Very low	156 Å²	156	145.3 Å²	145.3	80%	0.8	77%	0.774	S	S	*	*			trans	-123.8	141.1	-163.3	-65.7	156.2	0	0	0	107.8
18	N	28.6	Very low	30.9	Very low	165 Å²	165	149 Å²	149	88%	0.882	78%	0.775	S	S	*	*			trans	-168.5	166.9	140.4	-104.5	-42.8	0	0	0	114.8
19	R	25.1	Very low	30.9	Very low	225 Å²	225	151.2 Å²	151.2	85%	0.849	77%	0.774	S	S	*	*			trans	-114.4	177.4	172.3	-77.1	-178.8	167.1	180	-2.8	110.5
20	E	29.6	Very low	30.9	Very low	172 Å²	172	150.4 Å²	150.4	80%	0.804	77%	0.768	S	S	*	*			trans	88.7	93.8	156.4	-48.5	-158.7	160.9	0	0	119.1
21	S	26.4	Very low	30.7	Very low	95 Å²	95	148.4 Å²	148.4	66%	0.664	76%	0.759	S	S	*	*				39.6	140	126.4	58.2	0	0	0	0	123.3
22	Y	29.9	Very low	30.8	Very low	205 Å²	205	148.1 Å²	148.1	80%	0.804	75%	0.753	S	S	*	*				175.5	155.5	114.4	-111	-117.5	0	0	0	112.6
23	I	31.2	Very low	30.6	Very low	156 Å²	156	149.8 Å²	149.8	80%	0.8	75%	0.754	S	S	*	*			trans	68.8	148.7	154.5	-71.3	159.2	0	0	0	119.1
24	S	27.4	Very low	31	Very low	94 Å²	94	147.3 Å²	147.3	66%	0.657	75%	0.747	S	S	*	*			cis	-170.3	141.8	-28.6	-179.5	0	0	0	0	113
25	Y	25.7	Very low	30.8	Very low	216 Å²	216	144.4 Å²	144.4	85%	0.847	75%	0.745	S	S	*	*			trans	-22.1	-179.9	145.6	-67.4	-77.3	0	0	0	121.1
26	P	46	Very low	30.8	Very low	113 Å²	113	148.6 Å²	148.6	73%	0.734	75%	0.754	S	S	*	*			cis	-121	-161.5	-5.7	34.5	-13.4	0	0	0	111.1
27	S	31.6	Very low	30.6	Very low	76 Å²	76	143.9 Å²	143.9	53%	0.531	74%	0.742	S	S	.	*			cis	-149.9	-170.7	2.8	-38.6	0	0	0	0	107.5
28	Y	32.7	Very low	30.5	Very low	202 Å²	202	141 Å²	141	79%	0.792	74%	0.736	S	S	*	*			cis	-151.6	176.8	-7.6	-78.2	-65.3	0	0	0	103.6
29	E	31.4	Very low	30.6	Very low	155 Å²	155	143.2 Å²	143.2	72%	0.724	74%	0.738	S	S	*	*			cis	-165.2	176.6	-7.9	-122.6	163.4	-142.6	0	0	105.5
30	I	32.9	Very low	30.7	Very low	130 Å²	130	135.9 Å²	135.9	67%	0.667	73%	0.733	S	S	*	*			cis	-153.8	178.2	7.5	-162.1	160	0	0	0	108.7
31	D	30.5	Very low	30.7	Very low	127 Å²	127	136.6 Å²	136.6	68%	0.679	74%	0.735	S	S	*	*			trans	22.7	145.1	156.2	-73.1	12.2	0	0	0	123.2
32	N	32.6	Very low	30.7	Very low	120 Å²	120	137.9 Å²	137.9	64%	0.642	73%	0.734	S	S	*	*			cis	-156.2	145.5	12.5	-136.1	-49.5	0	0	0	115
33	T	29.5	Very low	30.7	Very low	124 Å²	124	133.7 Å²	133.7	76%	0.761	73%	0.726	S	S	*	*			trans	20.9	160	156.7	48.4	0	0	0	0	126.7
34	P	37.5	Very low	30.8	Very low	110 Å²	110	132.9 Å²	132.9	71%	0.714	72%	0.718	S	S	*	*			trans	-141.7	179.8	-159.6	44.7	-25	0	0	0	119.6
35	S	27.8	Very low	31	Very low	104 Å²	104	134.6 Å²	134.6	73%	0.727	72%	0.72	S	S	*	*			trans	90.6	158.5	137.5	79.3	0	0	0	0	124.2
36	Q	30.2	Very low	31.2	Very low	184 Å²	184	130.2 Å²	130.2	86%	0.86	71%	0.711	S	S	*	*			trans	83.4	177.1	163.4	-56.8	-147.2	-2.6	0	0	120
37	S	26.8	Very low	30.5	Very low	93 Å²	93	131.7 Å²	131.7	65%	0.65	71%	0.707	S	S	*	*				-154.3	143.5	-123.8	54.8	0	0	0	0	117.6
38	S	26.6	Very low	30.5	Very low	95 Å²	95	134.2 Å²	134.2	66%	0.664	72%	0.715	S	S	*	*			trans	65.3	153.6	152.9	70.1	0	0	0	0	120
39	F	30.3	Very low	30.3	Very low	212 Å²	212	130.7 Å²	130.7	93%	0.93	71%	0.706	S	S	*	*			trans	65.7	138.2	-173.4	-56.4	-88.7	0	0	0	115.2
40	G	27.5	Very low	30.2	Very low	71 Å²	71	132 Å²	132	73%	0.732	71%	0.705	S	S	*	*			cis	171.6	150.2	-13.5	0	0	0	0	0	115.1
41	H	29.3	Very low	30	Very low	186 Å²	186	133.1 Å²	133.1	86%	0.861	71%	0.708	S	S	*	*			trans	78	147.5	155.4	-115.1	15.2	0	0	0	122.4
42	L	28	Very low	29.8	Very low	122 Å²	122	131.8 Å²	131.8	64%	0.639	70%	0.704	S	S	*	*			trans	74.9	119.7	158	-97.1	69.6	0	0	0	122.7
43	N	29.9	Very low	29.7	Very low	118 Å²	118	137.4 Å²	137.4	63%	0.631	72%	0.716	S	S	*	*			trans	68.4	150	139.3	-65.3	-1.3	0	0	0	118.7
44	H	32.4	Very low	29.5	Very low	138 Å²	138	138 Å²	138	64%	0.639	72%	0.715	S	S	*	*			cis	-163.3	152.2	-0.7	-120	-27.7	0	0	0	108.5
45	L	31.6	Very low	29.1	Very low	131 Å²	131	140.4 Å²	140.4	69%	0.686	72%	0.721	S	S	*	*			trans	56.2	151.6	143.3	-58	165.9	0	0	0	118.9
46	N	30.6	Very low	29	Very low	123 Å²	123	139 Å²	139	66%	0.658	72%	0.723	S	S	*	*			cis	-164.2	172.7	-16.9	-121.1	7.2	0	0	0	108.1
47	H	31.2	Very low	28.9	Very low	144 Å²	144	133.5 Å²	133.5	67%	0.667	72%	0.716	S	S	*	*			trans	26.4	120.8	144.2	-77.4	-72.8	0	0	0	119.6
48	D	30.7	Very low	29.2	Very low	129 Å²	129	137.3 Å²	137.3	69%	0.69	72%	0.723	S	S	*	*				128.5	165.4	80	-93	-4.6	0	0	0	107.3
49	E	28.7	Very low	29.3	Very low	129 Å²	129	139.9 Å²	139.9	60%	0.603	73%	0.73	S	S	*	*			cis	-166.3	173.1	-21.1	-168.6	-174.4	171.8	0	0	106.4
50	Y	30.2	Very low	29.3	Very low	181 Å²	181	137 Å²	137	71%	0.71	72%	0.719	S	S	*	*			trans	65.2	129	175.6	-61.6	-82.1	0	0	0	117.2
51	Q	28.2	Very low	29.5	Very low	154 Å²	154	143 Å²	143	72%	0.72	72%	0.721	S	S	*	*			cis	99.2	118.5	37.6	-78.5	-114.7	9.2	0	0	114.9
52	T	27.5	Very low	29.4	Very low	99 Å²	99	141.7 Å²	141.7	61%	0.607	72%	0.72	S	S	*	*			trans	55.1	115.3	147.6	58.1	0	0	0	0	121.6
53	R	28.5	Very low	29.9	Very low	238 Å²	238	142.1 Å²	142.1	90%	0.898	73%	0.729	S	S	*	*				-168.5	137.2	101.9	-92.1	161.5	-167.2	-150.9	3	107.2
54	L	26.5	Very low	29.9	Very low	138 Å²	138	139.9 Å²	139.9	72%	0.723	73%	0.734	S	S	*	*			cis	72.4	122.5	37.5	-70.4	178.7	0	0	0	115.9
55	N	28.2	Very low	29.7	Very low	160 Å²	160	140.8 Å²	140.8	86%	0.856	74%	0.744	S	S	*	*			trans	69.8	148.1	166.2	-53	-3.6	0	0	0	116.3
56	G	26.2	Very low	29.7	Very low	74 Å²	74	141.9 Å²	141.9	76%	0.763	75%	0.749	S	S	*	*			cis	162.6	-178	-5	0	0	0	0	0	112.6
57	G	29.1	Very low	29.7	Very low	68 Å²	68	143.8 Å²	143.8	70%	0.701	75%	0.751	S	S	*	*			trans	90.8	153.2	171.2	0	0	0	0	0	115.7
58	E	32.5	Very low	29.8	Very low	174 Å²	174	143.2 Å²	143.2	81%	0.813	75%	0.749	S	S	*	*			cis	-162.7	132.8	-5.2	-117.1	144.7	-128.7	0	0	110.1
59	D	28.6	Very low	29.8	Very low	149 Å²	149	143.5 Å²	143.5	80%	0.797	75%	0.75	S	S	*	*			trans	44	163.4	134.9	-56.4	-17.7	0	0	0	121.6
60	E	29.4	Very low	30.1	Very low	151 Å²	151	144.8 Å²	144.8	71%	0.706	76%	0.76	S	S	*	*			cis	-147.5	-178.3	28.9	-64.1	178.3	93.6	0	0	114.7
61	Y	31.8	Very low	30.2	Very low	196 Å²	196	141.8 Å²	141.8	77%	0.769	77%	0.765	S	S	*	*			trans	89.9	101.1	159	-68.1	-74.6	0	0	0	122.9
62	L	27.6	Very low	30.4	Very low	160 Å²	160	138.2 Å²	138.2	84%	0.838	77%	0.77	S	S	*	*			trans	-90.6	-175.7	137.4	-67.3	165.3	0	0	0	108.8
63	P	37.8	Very low	30.6	Very low	130 Å²	130	141.1 Å²	141.1	84%	0.844	78%	0.781	S	S	*	*			cis	-130.8	-168.9	-7.3	42.5	-26.2	0	0	0	113.6
64	G	30.5	Very low	30.8	Very low	71 Å²	71	136.3 Å²	136.3	73%	0.732	77%	0.774	S	S	*	*			trans	152.3	129.2	155.2	0	0	0	0	0	117.3
65	D	27.6	Very low	30.9	Very low	158 Å²	158	136.7 Å²	136.7	85%	0.845	78%	0.776	S	S	*	*			trans	-83.2	165.1	176.2	-52.3	-91.2	0	0	0	114.3
66	I	32.4	Very low	30.9	Very low	153 Å²	153	133.5 Å²	133.5	79%	0.785	77%	0.767	S	S	*	*				177.9	114.1	125.5	-92.1	160.6	0	0	0	114.1
67	K	31.7	Very low	30.9	Very low	164 Å²	164	137.7 Å²	137.7	71%	0.713	77%	0.771	S	S	*	*			trans	51.5	125.6	136.3	-65.9	171	158.5	-92.8	0	125
68	E	31.8	Very low	30.8	Very low	131 Å²	131	143.6 Å²	143.6	61%	0.612	78%	0.781	S	S	*	*				93.1	118.3	119.8	-78.8	175.8	-126.4	0	0	124.6
69	N	30.5	Very low	30.7	Very low	136 Å²	136	142.6 Å²	142.6	73%	0.727	78%	0.781	S	S	*	*			trans	72	147.4	144.3	-55.2	-35.8	0	0	0	118.2
70	I	34.8	Very low	30.8	Very low	156 Å²	156	143.4 Å²	143.4	80%	0.8	78%	0.784	S	S	*	*			cis	-138	138.9	22.4	-67.4	169	0	0	0	112.5
71	S	34	Very low	31.2	Very low	117 Å²	117	141 Å²	141	82%	0.818	78%	0.781	S	S	*	*			trans	37	134.6	159.3	76.3	0	0	0	0	123.2
72	G	31.7	Very low	31.2	Very low	79 Å²	79	137.2 Å²	137.2	81%	0.814	78%	0.779	S	S	*	*			trans	-167.3	-13.1	169.9	0	0	0	0	0	120
73	N	31.5	Very low	31.4	Very low	160 Å²	160	136 Å²	136	86%	0.856	77%	0.773	S	S	*	*			trans	56.9	151	177.5	-149.8	27.2	0	0	0	120.1
74	N	32.1	Very low	31.1	Very low	138 Å²	138	136.2 Å²	136.2	74%	0.738	77%	0.767	S	S	*	*			trans	-97.3	147	-157.3	-75.2	-26	0	0	0	117.2
75	N	29.2	Very low	31.2	Very low	145 Å²	145	138.7 Å²	138.7	78%	0.775	76%	0.764	S	S	*	*			trans	32.7	132.1	132	-75.5	-0.6	0	0	0	124.3
76	S	28.2	Very low	31.3	Very low	94 Å²	94	140.6 Å²	140.6	66%	0.657	76%	0.759	S	S	*	*				66.4	125.3	123.5	76.6	0	0	0	0	123.7
77	N	26.8	Very low	31.1	Very low	161 Å²	161	137.9 Å²	137.9	86%	0.861	75%	0.754	S	S	*	*			trans	62.9	159.7	133.8	-70	15.2	0	0	0	121.5
78	E	27.1	Very low	31.1	Very low	193 Å²	193	139.3 Å²	139.3	90%	0.902	76%	0.763	S	S	*	*			trans	-75.6	143	-179	-56.9	172.7	132.8	0	0	111.8
79	D	29.6	Very low	30.8	Very low	152 Å²	152	143.6 Å²	143.6	81%	0.813	78%	0.775	S	S	*	*			trans	-137.3	132.6	172.6	-116.8	-33.6	0	0	0	109.5
80	I	31	Very low	30.8	Very low	166 Å²	166	144.2 Å²	144.2	85%	0.851	78%	0.784	S	S	*	*			trans	-139.6	116.7	166	-58.2	177.3	0	0	0	108.6
81	P	37.3	Very low	30.5	Very low	101 Å²	101	143.7 Å²	143.7	66%	0.656	78%	0.783	S	S	*	*			trans	-133.2	170.6	144.8	39.5	-26.6	0	0	0	110.5
82	T	32.3	Very low	30.1	Very low	117 Å²	117	145.2 Å²	145.2	72%	0.718	78%	0.779	S	S	*	*			cis	-149	147.6	27.9	51.4	0	0	0	0	113
83	N	31.7	Very low	30	Very low	135 Å²	135	149.7 Å²	149.7	72%	0.722	78%	0.776	S	S	*	*				27.8	155	127.7	-67.5	47.1	0	0	0	122.1
84	D	32	Very low	29.7	Very low	134 Å²	134	147.8 Å²	147.8	72%	0.717	77%	0.77	S	S	*	*			cis	-159.9	153.9	10	-127.1	-40.1	0	0	0	111.8
85	D	32	Very low	29.5	Very low	123 Å²	123	150.6 Å²	150.6	66%	0.658	78%	0.779	S	S	*	*				174.6	116.1	118.6	-131.7	-33.7	0	0	0	112.8
86	R	29.3	Very low	29.3	Very low	198 Å²	198	152.3 Å²	152.3	75%	0.747	78%	0.782	S	S	*	*			trans	68.1	115.3	140.5	-93.1	179.9	-179.8	102.7	-4.3	126.4
87	S	29.4	Very low	29.2	Very low	96 Å²	96	153.5 Å²	153.5	67%	0.671	79%	0.79	S	S	*	*				65.5	146.7	122.1	68.3	0	0	0	0	121.8
88	E	30.2	Very low	29.2	Very low	194 Å²	194	155.8 Å²	155.8	91%	0.907	79%	0.788	S	S	*	*			cis	-160.6	175.5	-7.6	-120.6	175.4	179.8	0	0	111.7
89	Y	25.5	Very low	29.4	Very low	220 Å²	220	154.5 Å²	154.5	86%	0.863	78%	0.782	S	S	*	*			trans	-107.8	150.2	176.1	-111.3	-93.5	0	0	0	111.7
90	T	30.5	Very low	29.3	Very low	150 Å²	150	152.6 Å²	152.6	92%	0.92	77%	0.772	S	S	*	*			trans	-170.9	176.6	144.5	12.8	0	0	0	0	112.8
91	N	28.9	Very low	29.1	Very low	145 Å²	145	150.5 Å²	150.5	78%	0.775	77%	0.772	S	S	*	*			trans	-150.1	162.4	-165	-170.1	-1.2	0	0	0	111.6
92	M	26.8	Very low	28.6	Very low	149 Å²	149	151.3 Å²	151.3	73%	0.734	78%	0.775	S	S	*	*			trans	74	150.9	-179.3	-51.6	-161.3	-157.8	0	0	115.7
93	K	28.2	Very low	28.2	Very low	173 Å²	173	151.3 Å²	151.3	75%	0.752	78%	0.778	S	S	*	*			cis	-158.2	157.1	2	-132.2	170.7	-175.5	179.9	0	112.9
94	T	25.9	Very low	28	Very low	119 Å²	119	150.9 Å²	150.9	73%	0.73	78%	0.783	S	S	*	*			trans	2.7	133.6	156	50.8	0	0	0	0	122.1
95	E	27.1	Very low	27.6	Very low	198 Å²	198	149.1 Å²	149.1	93%	0.925	78%	0.781	S	S	*	*				-163.1	176.8	115.8	-118.2	171.4	-146.8	0	0	112.5
96	E	24.9	Very low	27.4	Very low	181 Å²	181	151.3 Å²	151.3	85%	0.846	79%	0.787	S	S	*	*			trans	-110.6	146.3	-162.3	-58.1	178.7	125.9	0	0	115.7
97	S	27.8	Very low	27.1	Very low	118 Å²	118	146.5 Å²	146.5	83%	0.825	78%	0.784	S	S	*	*			trans	-174.6	132.6	144.7	21.1	0	0	0	0	108.8
98	Y	26.8	Very low	27	Very low	209 Å²	209	150.1 Å²	150.1	82%	0.82	79%	0.79	S	S	*	*				71.4	70.6	51.6	-91	-77.5	0	0	0	116.3
99	H	31.2	Very low	26.9	Very low	166 Å²	166	148.6 Å²	148.6	77%	0.769	78%	0.783	S	S	*	*				179.7	116	114.7	-92.8	-71.3	0	0	0	106.9
100	D	26.1	Very low	26.8	Very low	112 Å²	112	146.7 Å²	146.7	60%	0.599	78%	0.782	S	S	*	*				68.6	113	68.8	-171	25.5	0	0	0	112.9	T102	D100-T102 PolarHBondContact OD1-N 3.3Å; D100-T102 PolarHBondContact OD1-OG1 3.04Å; D100-T102 VanDerWaalsContact OD1-OG1 3.1Å
101	S	26.8	Very low	26.6	Very low	122 Å²	122	147.8 Å²	147.8	85%	0.853	78%	0.781	S	S	*	*				-150.5	122.3	120.5	-72.7	0	0	0	0	108.4
102	T	26.5	Very low	26.4	Very low	118 Å²	118	147.9 Å²	147.9	72%	0.724	78%	0.782	S	S	*	*			trans	-91.1	170.1	-176.1	-51.3	0	0	0	0	111.4	D100	D100-T102 PolarHBondContact OD1-N 3.3Å; D100-T102 PolarHBondContact OD1-OG1 3.04Å; D100-T102 VanDerWaalsContact OD1-OG1 3.1Å
103	C	23.8	Very low	26.7	Very low	117 Å²	117	149.1 Å²	149.1	79%	0.791	79%	0.786	S	S	*	*			trans	-56.1	160.7	161.2	-60.4	0	0	0	0	111.2
104	P	29.1	Very low	26.6	Very low	126 Å²	126	147.4 Å²	147.4	82%	0.818	79%	0.785	S	S	*	*				-135.4	153	120.6	37.6	-29.4	0	0	0	113.9
105	S	22.3	Very low	26.7	Very low	97 Å²	97	150 Å²	150	68%	0.678	79%	0.793	S	S	*	*			trans	-97	171.1	159.7	50.8	0	0	0	0	110.6
106	H	27.9	Very low	26.7	Very low	170 Å²	170	146.4 Å²	146.4	79%	0.787	78%	0.779	S	S	*	*			trans	91.5	136	171	-66.9	-85.5	0	0	0	120.7
107	S	24.4	Very low	26.8	Very low	96 Å²	96	145.4 Å²	145.4	67%	0.671	77%	0.772	S	S	*	*			trans	74	123.5	152.1	36.6	0	0	0	0	121.4
108	E	25.9	Very low	26.9	Very low	173 Å²	173	148 Å²	148	81%	0.808	78%	0.776	S	S	*	*			trans	62.9	105	137.9	-65.1	174.1	-153.5	0	0	117.4
109	Q	28	Very low	27	Very low	161 Å²	161	144.9 Å²	144.9	75%	0.752	77%	0.769	S	S	*	*			cis	-157	137.7	49.6	-88.5	149.3	18.7	0	0	109.9
110	E	24.7	Very low	26.9	Very low	181 Å²	181	144.6 Å²	144.6	85%	0.846	77%	0.768	S	S	*	*				47.6	94	87.2	-76.8	-164	154.1	0	0	114.6
111	L	26.5	Very low	27	Very low	172 Å²	172	143.1 Å²	143.1	90%	0.901	78%	0.779	S	S	*	*			trans	-149.3	88.4	137.7	-148.6	98.7	0	0	0	110.9
112	D	24.6	Very low	27	Very low	147 Å²	147	146.3 Å²	146.3	79%	0.786	78%	0.778	S	S	*	*			trans	-63.8	130.9	159.1	-77.8	-39.2	0	0	0	109.3
113	Q	31.6	Very low	27.1	Very low	176 Å²	176	148.5 Å²	148.5	82%	0.822	79%	0.785	S	S	*	*				-174.8	120.7	113.3	-100.7	161.1	54.1	0	0	113.8
114	D	26.1	Very low	27.2	Very low	136 Å²	136	151.9 Å²	151.9	73%	0.727	79%	0.789	S	S	*	*			trans	4.7	122	145.3	-66.3	-49.3	0	0	0	119
115	I	29.2	Very low	27.1	Very low	175 Å²	175	153.8 Å²	153.8	90%	0.897	79%	0.792	S	S	*	*			trans	-120.2	104.1	133.9	-63	-175.9	0	0	0	108.3
116	L	26.4	Very low	27.3	Very low	122 Å²	122	155.9 Å²	155.9	64%	0.639	79%	0.794	S	S	*	*			trans	-75.2	141.3	175.6	-93.9	168.9	0	0	0	112.1
117	K	26.5	Very low	27.3	Very low	160 Å²	160	153.5 Å²	153.5	70%	0.696	79%	0.793	S	S	*	*			trans	69.3	115.8	155.8	-60.2	162	-175.6	179.1	0	117.6
118	N	30.4	Very low	27.2	Very low	171 Å²	171	157.5 Å²	157.5	91%	0.914	80%	0.802	S	S	*	*				-142.8	172.1	101.7	-112.1	-31.4	0	0	0	111.1
119	E	28.9	Very low	27.3	Very low	145 Å²	145	157.3 Å²	157.3	68%	0.678	80%	0.801	S	S	*	*			trans	-126.1	167.9	-143	-133.2	179.7	-128.6	0	0	114.8
120	H	28.5	Very low	27.2	Very low	159 Å²	159	155.9 Å²	155.9	74%	0.736	80%	0.798	S	S	*	*			trans	69.6	103.4	161.2	-80.4	75.9	0	0	0	119.8
121	G	29	Very low	27.1	Very low	81 Å²	81	156 Å²	156	84%	0.835	80%	0.801	S	S	*	*			trans	-156.5	112.9	156.6	0	0	0	0	0	109.9
122	K	27	Very low	27.2	Very low	190 Å²	190	155.3 Å²	155.3	83%	0.826	79%	0.793	S	S	*	*			trans	-85.7	143.7	-173.2	-63.1	179.1	179	-178.2	0	112.2
123	N	29.5	Very low	27.1	Very low	163 Å²	163	154 Å²	154	87%	0.872	79%	0.794	S	S	*	*				-160.6	164.2	128.3	-101	-7.6	0	0	0	110.7
124	E	25.2	Very low	26.8	Very low	189 Å²	189	152.7 Å²	152.7	88%	0.883	79%	0.792	S	S	*	*			trans	-84.8	143.3	-164.8	-63.4	160.9	128.4	0	0	112.7
125	L	25.9	Very low	26.7	Very low	166 Å²	166	152.8 Å²	152.8	87%	0.869	79%	0.792	S	S	*	*			trans	-145	151.9	166.7	-109.6	165	0	0	0	111
126	I	26.3	Very low	26.6	Very low	140 Å²	140	151.8 Å²	151.8	72%	0.718	79%	0.787	S	S	*	*			trans	-71.2	140.8	-164.8	-62.1	152.2	0	0	0	111.4	E128	I126-E128 HydrophobicContact CG2-CG 4.48Å; I126-E128 PolarHBondContact O-N 3.34Å; I126-E128 VanDerWaalsContact O-N 3.13Å
127	P	28.2	Very low	26.5	Very low	121 Å²	121	153.3 Å²	153.3	79%	0.786	79%	0.791	S	S	*	*			trans	-83.5	78.6	171.4	35	-34.3	0	0	0	111.3
128	E	22.1	Very low	26.5	Very low	180 Å²	180	153.2 Å²	153.2	84%	0.841	80%	0.798	S	S	*	*			trans	-78.9	124.4	149.8	-71.7	-169	148.9	0	0	107.9	I126	I126-E128 HydrophobicContact CG2-CG 4.48Å; I126-E128 PolarHBondContact O-N 3.34Å; I126-E128 VanDerWaalsContact O-N 3.13Å
129	Q	28.2	Very low	26.4	Very low	169 Å²	169	150.7 Å²	150.7	79%	0.79	79%	0.789	S	S	*	*			trans	-123.1	110.3	170.3	-78.3	-163	-30.5	0	0	110.9
130	N	26.9	Very low	26.3	Very low	131 Å²	131	152.1 Å²	152.1	70%	0.701	80%	0.796	S	S	*	*			trans	58.5	93.8	146.5	-55.4	2.8	0	0	0	117.1	E132	N130-E132 PolarHBondContact O-N 2.92Å
131	M	22.9	Very low	26.3	Very low	182 Å²	182	152.5 Å²	152.5	90%	0.897	80%	0.803	S	S	*	*			trans	-65.9	115	133.6	-70.5	-161.8	-63.8	0	0	108.4
132	E	27.1	Very low	26.4	Very low	159 Å²	159	156.7 Å²	156.7	74%	0.743	80%	0.801	S	S	*	*			trans	-83.6	107.5	161.4	-75.1	-168.3	132.1	0	0	109.2	N130 L134	N130-E132 PolarHBondContact O-N 2.92Å; E132-L134 VanDerWaalsContact C-N 3.34Å; E132-L134 PolarHBondContact O-N 2.96Å
133	C	22.6	Very low	26.9	Very low	120 Å²	120	156.7 Å²	156.7	81%	0.811	80%	0.804	S	S	*	*			trans	-70.2	87.9	171.1	-63.3	0	0	0	0	110	N135	C133-N135 PolarHBondContact O-N 2.98Å
134	L	26.3	Very low	27.3	Very low	148 Å²	148	156.7 Å²	156.7	78%	0.775	80%	0.796	S	S	*	*			trans	-76.8	118.2	176.1	-87.9	169.1	0	0	0	111.6	E132 I136	E132-L134 VanDerWaalsContact C-N 3.34Å; E132-L134 PolarHBondContact O-N 2.96Å; L134-I136 PolarHBondContact O-N 3.16Å
135	N	24.5	Very low	28.1	Very low	137 Å²	137	152.6 Å²	152.6	73%	0.733	78%	0.78	S	S	*	*			trans	-65.9	115.5	-175.7	-175.4	21.5	0	0	0	112	C133 Q137	C133-N135 PolarHBondContact O-N 2.98Å; N135-Q137 PolarHBondContact O-N 3.31Å; N135-Q137 VanDerWaalsContact O-N 3.1Å
136	I	26.4	Very low	29.6	Very low	155 Å²	155	147.4 Å²	147.4	80%	0.795	76%	0.757	S	S	*	*			trans	-86.2	80.3	-179.9	-52.1	-179.2	0	0	0	110.2	L134	L134-I136 PolarHBondContact O-N 3.16Å
137	Q	24.3	Very low	31.2	Very low	153 Å²	153	143.8 Å²	143.8	72%	0.715	74%	0.736	S	S	*	*			trans	-137.2	147.4	157.9	-69.4	-167.5	-18.9	0	0	109.2	N135	N135-Q137 PolarHBondContact O-N 3.31Å; N135-Q137 VanDerWaalsContact O-N 3.1Å
138	N	25.8	Very low	33.2	Very low	159 Å²	159	143.4 Å²	143.4	85%	0.85	73%	0.727	S	S	*	*			trans	69.8	87.4	-170.3	-53.6	-31	0	0	0	115.6
139	V	28.7	Very low	35.5	Very low	118 Å²	118	139 Å²	139	72%	0.715	71%	0.707	S	S	*	*			trans	-124.8	58.4	157.7	-167	0	0	0	0	109.9
140	E	26.9	Very low	37.2	Very low	175 Å²	175	133.7 Å²	133.7	82%	0.818	68%	0.683	S	S	*	*	S	Bend	trans	-120.8	145.5	158.3	-68.5	-164.8	127.9	0	0	108.5
141	N	27.6	Very low	39.3	Very low	167 Å²	167	130.4 Å²	130.4	89%	0.893	66%	0.663	S	S	*	*			trans	57.4	63.4	-178.2	-66.1	-55.8	0	0	0	116.6
142	Q	31.6	Very low	41.7	Very low	168 Å²	168	127.2 Å²	127.2	79%	0.785	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-92.5	131.4	148.8	-69.7	-164.3	4.4	0	0	110.5	K144	Q142-K144 PolarHBondContact O-N 2.83Å
143	Q	37.9	Very low	43.8	Very low	191 Å²	191	122.9 Å²	122.9	89%	0.893	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-68.2	120.5	172.8	-71.9	-175	-55.6	0	0	109.9	L145	Q143-L145 PolarHBondContact O-N 2.76Å
144	K	38.4	Very low	46	Very low	162 Å²	162	119.2 Å²	119.2	70%	0.704	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-60.1	128.1	176.9	-67.1	-168.5	176	-168.8	0	110.7	Q142	Q142-K144 PolarHBondContact O-N 2.83Å
145	L	42.5	Very low	48.1	Very low	104 Å²	104	115.9 Å²	115.9	55%	0.545	58%	0.58	S	S	.	*	P	Polyproline II helix	trans	-71.6	138.8	-179.4	-68.5	169.7	0	0	0	111	Q143 Q149 I150	Q143-L145 PolarHBondContact O-N 2.76Å; L145-Q149 HydrophobicContact CB-CB 4.38Å; L145-Q149 HydrophobicContact CD2-CB 4.15Å; L145-I150 HydrophobicContact CB-CG1 4.2Å
146	S	55.8	Low	50.5	Low	56 Å²	56	117 Å²	117	39%	0.392	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-74.7	155.3	173.5	67.9	0	0	0	0	111.7	N148 Q149 I150	S146-N148 PolarHBondContact O-N 2.95Å; S146-Q149 WeakPolarHBondContact O-CB 3.33Å; S146-Q149 PolarHBondContact O-N 3.36Å; S146-Q149 PolarHBondContact OG-OE1 2.96Å; S146-I150 PolarHBondContact O-N 3.33Å; S146-I150 VanDerWaalsContact O-N 3.1Å
147	F	61.1	Low	52.8	Low	65 Å²	65	115.7 Å²	115.7	29%	0.285	57%	0.567	S	S	.	*	H	α-helix	trans	-47.7	-37.8	176	173.4	-97.7	0	0	0	113.8	I150 K151 L163 Y171 L188	F147-I150 PolarHBondContact O-N 3.21Å; F147-K151 WeakPolarHBondContact O-CB 3.33Å; F147-K151 PolarHBondContact O-N 2.85Å; F147-L163 HydrophobicContact CE2-CD2 4.11Å; F147-L163 HydrophobicContact CZ-CD2 3.74Å; F147-Y171 HydrophobicContact CD2-CE2 4.4Å; F147-Y171 HydrophobicContact CE1-CE1 4.15Å; F147-Y171 AromaticContact CE1-CZ 3.99Å; F147-Y171 AromaticContact CE2-CD2 3.9Å; F147-Y171 HydrophobicContact CE2-CD2 3.9Å; F147-Y171 HydrophobicContact CE2-CE1 4.25Å; F147-Y171 AromaticContact CE2-CE2 3.6Å; F147-Y171 HydrophobicContact CE2-CE2 3.6Å; F147-Y171 HydrophobicContact CE2-CG 4.35Å; F147-Y171 AromaticContact CE2-CZ 3.79Å; F147-Y171 AromaticContact CZ-CD1 3.93Å; F147-Y171 HydrophobicContact CZ-CD1 3.93Å; F147-Y171 HydrophobicContact CZ-CD2 4.12Å; F147-Y171 AromaticContact CZ-CE1 3.51Å; F147-Y171 HydrophobicContact CZ-CE1 3.51Å; F147-Y171 AromaticContact CZ-CE2 3.72Å; F147-Y171 HydrophobicContact CZ-CE2 3.72Å; F147-Y171 HydrophobicContact CZ-CG 4.22Å; F147-Y171 AromaticContact CZ-CZ 3.39Å; F147-L188 HydrophobicContact CD2-CD1 4.12Å; F147-L188 HydrophobicContact CE2-CD1 3.84Å
148	N	69.8	Low	54.8	Low	112 Å²	112	113.1 Å²	113.1	60%	0.599	56%	0.558	S	S	*	*	H	α-helix	trans	-67.4	-35.3	178.1	-70.1	-24.9	0	0	0	112.8	S146 K151 E152	S146-N148 PolarHBondContact O-N 2.95Å; N148-K151 PolarHBondContact O-N 2.89Å; N148-E152 PolarHBondContact O-N 3.04Å
149	Q	70.3	Confident	56.2	Low	89 Å²	89	108.5 Å²	108.5	42%	0.416	54%	0.536	S	S	.	.	H	α-helix	trans	-73.4	-38.8	176.9	-67.3	162.1	-70.5	0	0	111.1	L145 S146 K151 E152 D153	L145-Q149 HydrophobicContact CB-CB 4.38Å; L145-Q149 HydrophobicContact CD2-CB 4.15Å; S146-Q149 WeakPolarHBondContact O-CB 3.33Å; S146-Q149 PolarHBondContact O-N 3.36Å; S146-Q149 PolarHBondContact OG-OE1 2.96Å; Q149-K151 VanDerWaalsContact C-N 3.3Å; Q149-K151 PolarHBondContact O-N 2.86Å; Q149-E152 PolarHBondContact O-N 2.79Å; Q149-D153 WeakPolarHBondContact O-CB 3.49Å; Q149-D153 PolarHBondContact O-N 2.97Å
150	I	63.2	Low	57.7	Low	56 Å²	56	103.2 Å²	103.2	29%	0.287	50%	0.503	S	S	.	.	H	α-helix	trans	-60.4	-43.1	172.1	-60.7	171.1	0	0	0	109.9	L145 S146 F147 D153 L154	L145-I150 HydrophobicContact CB-CG1 4.2Å; S146-I150 PolarHBondContact O-N 3.33Å; S146-I150 VanDerWaalsContact O-N 3.1Å; F147-I150 PolarHBondContact O-N 3.21Å; I150-D153 PolarHBondContact O-N 3.1Å; I150-L154 HydrophobicContact CG2-CD1 4.14Å; I150-L154 WeakPolarHBondContact O-CG 3.34Å; I150-L154 PolarHBondContact O-N 2.68Å
151	K	71.5	Confident	59.5	Low	63 Å²	63	97.1 Å²	97.1	27%	0.274	49%	0.488	S	S	.	.	H	α-helix	trans	-62.3	-48.7	174.8	-175.7	-177.8	176.2	-77.6	0	112.5	F147 N148 Q149 D153 L154 E155	F147-K151 WeakPolarHBondContact O-CB 3.33Å; F147-K151 PolarHBondContact O-N 2.85Å; N148-K151 PolarHBondContact O-N 2.89Å; Q149-K151 VanDerWaalsContact C-N 3.3Å; Q149-K151 PolarHBondContact O-N 2.86Å; K151-D153 VanDerWaalsContact C-N 3.29Å; K151-D153 PolarHBondContact O-N 3.35Å; K151-L154 PolarHBondContact O-N 3.49Å; K151-E155 WeakPolarHBondContact CE-OE1 3.46Å; K151-E155 IonicContact NZ-OE1 2.73Å; K151-E155 PolarHBondContact NZ-OE1 2.65Å; K151-E155 IonicContact NZ-OE2 2.65Å; K151-E155 PolarHBondContact NZ-OE2 3.37Å; K151-E155 WeakPolarHBondContact O-CB 3.38Å; K151-E155 WeakPolarHBondContact O-CG 3.37Å; K151-E155 PolarHBondContact O-N 2.96Å
152	E	73.5	Confident	61.3	Low	114 Å²	114	91.3 Å²	91.3	53%	0.533	46%	0.46	S	S	.	.	H	α-helix	trans	-60.6	-36.8	178	-84	-164.2	120.7	0	0	112.7	N148 Q149 K156	N148-E152 PolarHBondContact O-N 3.04Å; Q149-E152 PolarHBondContact O-N 2.79Å; E152-K156 VanDerWaalsContact O-CB 3.32Å; E152-K156 WeakPolarHBondContact O-CB 3.39Å; E152-K156 VanDerWaalsContact O-CG 3.31Å; E152-K156 WeakPolarHBondContact O-CG 3.39Å; E152-K156 PolarHBondContact O-N 3.46Å
153	D	72	Confident	62.7	Low	68 Å²	68	85 Å²	85	36%	0.364	43%	0.431	S	S	.	.	H	α-helix	trans	-70.2	-42.3	178.1	-175.1	56.4	0	0	0	112	Q149 I150 K151 K156 K157	Q149-D153 WeakPolarHBondContact O-CB 3.49Å; Q149-D153 PolarHBondContact O-N 2.97Å; I150-D153 PolarHBondContact O-N 3.1Å; K151-D153 VanDerWaalsContact C-N 3.29Å; K151-D153 PolarHBondContact O-N 3.35Å; D153-K156 PolarHBondContact O-N 3.17Å; D153-K157 VanDerWaalsContact CG-NZ 3.33Å; D153-K157 WeakPolarHBondContact O-CB 3.49Å; D153-K157 VanDerWaalsContact O-CG 3.28Å; D153-K157 WeakPolarHBondContact O-CG 3.37Å; D153-K157 PolarHBondContact O-N 3.12Å; D153-K157 WeakPolarHBondContact OD1-CE 3.22Å; D153-K157 IonicContact OD1-NZ 2.6Å; D153-K157 PolarHBondContact OD1-NZ 3.18Å; D153-K157 WeakPolarHBondContact OD2-CE 3.29Å; D153-K157 IonicContact OD2-NZ 3.87Å; D153-K157 PolarHBondContact OD2-NZ 2.75Å
154	L	67.9	Low	63.9	Low	44 Å²	44	81.4 Å²	81.4	23%	0.23	42%	0.415	C	S	.	.	H	α-helix	trans	-65.6	-37	173.8	-70.2	171.5	0	0	0	112.9	I150 K151 N158 V159 I160 M173	I150-L154 HydrophobicContact CG2-CD1 4.14Å; I150-L154 WeakPolarHBondContact O-CG 3.34Å; I150-L154 PolarHBondContact O-N 2.68Å; K151-L154 PolarHBondContact O-N 3.49Å; L154-N158 PolarHBondContact O-N 3.46Å; L154-V159 HydrophobicContact CD2-CB 4.12Å; L154-V159 HydrophobicContact CD2-CG1 4.15Å; L154-V159 HydrophobicContact CD2-CG2 4.41Å; L154-V159 PolarHBondContact O-N 2.79Å; L154-V159 VanDerWaalsContact O-N 3.15Å; L154-I160 HydrophobicContact CB-CD1 3.67Å; L154-I160 HydrophobicContact CB-CG1 3.97Å; L154-I160 HydrophobicContact CB-CG2 4.45Å; L154-I160 HydrophobicContact CD1-CD1 4.45Å; L154-M173 HydrophobicContact CD1-CE 4.29Å
155	E	71.2	Confident	64.6	Low	78 Å²	78	78.3 Å²	78.3	36%	0.364	41%	0.411	S	S	.	.	H	α-helix	trans	-68.1	-43.7	173	-73.8	179.5	153.3	0	0	111.1	K151 K157 N158 I160	K151-E155 WeakPolarHBondContact CE-OE1 3.46Å; K151-E155 IonicContact NZ-OE1 2.73Å; K151-E155 PolarHBondContact NZ-OE1 2.65Å; K151-E155 IonicContact NZ-OE2 2.65Å; K151-E155 PolarHBondContact NZ-OE2 3.37Å; K151-E155 WeakPolarHBondContact O-CB 3.38Å; K151-E155 WeakPolarHBondContact O-CG 3.37Å; K151-E155 PolarHBondContact O-N 2.96Å; E155-K157 VanDerWaalsContact C-N 3.3Å; E155-K157 PolarHBondContact O-N 3.42Å; E155-N158 PolarHBondContact O-N 3.13Å; E155-N158 VanDerWaalsContact O-N 3.17Å; E155-I160 HydrophobicContact CG-CD1 3.95Å; E155-I160 HydrophobicContact CG-CG1 3.94Å
156	K	75.2	Confident	65.3	Low	159 Å²	159	77.7 Å²	77.7	69%	0.691	41%	0.408	S	S	*	.	H	α-helix	trans	-59.8	-37	173.8	-84.2	174.1	178.7	166.6	0	113.2	E152 D153 N158	E152-K156 VanDerWaalsContact O-CB 3.32Å; E152-K156 WeakPolarHBondContact O-CB 3.39Å; E152-K156 VanDerWaalsContact O-CG 3.31Å; E152-K156 WeakPolarHBondContact O-CG 3.39Å; E152-K156 PolarHBondContact O-N 3.46Å; D153-K156 PolarHBondContact O-N 3.17Å; K156-N158 VanDerWaalsContact C-N 3.26Å; K156-N158 PolarHBondContact O-N 3.41Å
157	K	73.2	Confident	65.1	Low	129 Å²	129	83.2 Å²	83.2	56%	0.561	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	2.2	179.7	-70.4	168.8	176.8	170.4	0	113.7	D153 E155 V159	D153-K157 VanDerWaalsContact CG-NZ 3.33Å; D153-K157 WeakPolarHBondContact O-CB 3.49Å; D153-K157 VanDerWaalsContact O-CG 3.28Å; D153-K157 WeakPolarHBondContact O-CG 3.37Å; D153-K157 PolarHBondContact O-N 3.12Å; D153-K157 WeakPolarHBondContact OD1-CE 3.22Å; D153-K157 IonicContact OD1-NZ 2.6Å; D153-K157 PolarHBondContact OD1-NZ 3.18Å; D153-K157 WeakPolarHBondContact OD2-CE 3.29Å; D153-K157 IonicContact OD2-NZ 3.87Å; D153-K157 PolarHBondContact OD2-NZ 2.75Å; E155-K157 VanDerWaalsContact C-N 3.3Å; E155-K157 PolarHBondContact O-N 3.42Å; K157-V159 HydrophobicContact CB-CG2 3.78Å; K157-V159 PolarHBondContact O-N 2.94Å; K157-V159 VanDerWaalsContact O-N 3.12Å
158	N	66.5	Low	64.5	Low	98 Å²	98	85.8 Å²	85.8	52%	0.524	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	20.8	-174.3	-79.6	-57.9	0	0	0	114.8	L154 E155 K156 I160 Q176	L154-N158 PolarHBondContact O-N 3.46Å; E155-N158 PolarHBondContact O-N 3.13Å; E155-N158 VanDerWaalsContact O-N 3.17Å; K156-N158 VanDerWaalsContact C-N 3.26Å; K156-N158 PolarHBondContact O-N 3.41Å; N158-I160 VanDerWaalsContact C-N 3.29Å; N158-I160 PolarHBondContact O-N 2.96Å; N158-Q176 PolarHBondContact OD1-NE2 3.32Å
159	V	55.6	Low	63.9	Low	62 Å²	62	85.6 Å²	85.6	38%	0.376	44%	0.439	S	S	.	.			trans	-71.5	-29.9	-179.3	179.3	0	0	0	0	111.1	L154 K157 H175	L154-V159 HydrophobicContact CD2-CB 4.12Å; L154-V159 HydrophobicContact CD2-CG1 4.15Å; L154-V159 HydrophobicContact CD2-CG2 4.41Å; L154-V159 PolarHBondContact O-N 2.79Å; L154-V159 VanDerWaalsContact O-N 3.15Å; K157-V159 HydrophobicContact CB-CG2 3.78Å; K157-V159 PolarHBondContact O-N 2.94Å; K157-V159 VanDerWaalsContact O-N 3.12Å; V159-H175 PolarHBondContact O-ND1 2.94Å
160	I	60.9	Low	62.8	Low	7 Å²	7	84 Å²	84	4%	0.036	43%	0.431	C	S	.	.			trans	-124.1	134.1	-175.9	64.1	179	0	0	0	111.8	L154 E155 N158 L163 M173	L154-I160 HydrophobicContact CB-CD1 3.67Å; L154-I160 HydrophobicContact CB-CG1 3.97Å; L154-I160 HydrophobicContact CB-CG2 4.45Å; L154-I160 HydrophobicContact CD1-CD1 4.45Å; E155-I160 HydrophobicContact CG-CD1 3.95Å; E155-I160 HydrophobicContact CG-CG1 3.94Å; N158-I160 VanDerWaalsContact C-N 3.29Å; N158-I160 PolarHBondContact O-N 2.96Å; I160-L163 HydrophobicContact CD1-CB 4.45Å; I160-L163 HydrophobicContact CD1-CD1 4.35Å; I160-M173 HydrophobicContact CB-CG 4.42Å; I160-M173 HydrophobicContact CG2-CE 4.03Å; I160-M173 HydrophobicContact CG2-CG 3.47Å; I160-M173 VanDerWaalsContact CG2-CG 3.47Å; I160-M173 HydrophobicContact CG2-SD 3.44Å; I160-M173 WeakPolarHBondContact CG2-SD 3.24Å
161	G	63.3	Low	62.7	Low	48 Å²	48	84 Å²	84	50%	0.495	43%	0.428	S	S	.	.	S	Bend	trans	-90.6	-27.2	170.5	0	0	0	0	0	113.2	H174	G161-H174 WeakPolarHBondContact CA-O 3.4Å; G161-H174 PolarHBondContact N-O 2.95Å
162	S	65.3	Low	62.2	Low	44 Å²	44	82.5 Å²	82.5	31%	0.308	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	157	162.5	65.5	0	0	0	0	111.8	H174	S162-H174 PolarHBondContact N-O 3.05Å; S162-H174 PolarHBondContact O-N 3.31Å
163	L	62.3	Low	61.8	Low	35 Å²	35	78 Å²	78	18%	0.183	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	119.8	171	-153	85.5	0	0	0	108.4	F147 I160 Y171 I172 M173	F147-L163 HydrophobicContact CE2-CD2 4.11Å; F147-L163 HydrophobicContact CZ-CD2 3.74Å; I160-L163 HydrophobicContact CD1-CB 4.45Å; I160-L163 HydrophobicContact CD1-CD1 4.35Å; L163-Y171 HydrophobicContact CD2-CD1 4.15Å; L163-Y171 HydrophobicContact CD2-CG 4.2Å; L163-I172 WeakPolarHBondContact CA-O 3.48Å; L163-M173 HydrophobicContact CD1-CB 4.02Å; L163-M173 HydrophobicContact CD1-CE 3.97Å; L163-M173 HydrophobicContact CD1-CG 4.03Å
164	Q	62.4	Low	61.1	Low	116 Å²	116	77.7 Å²	77.7	54%	0.542	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	129	-179.5	-72.2	-163.6	-8.3	0	0	111.9	L166 Y171 I172	Q164-L166 PolarHBondContact O-N 3.42Å; Q164-Y171 CarbonylContact O-C 3.59Å; Q164-Y171 WeakPolarHBondContact O-CA 3.15Å; Q164-I172 PolarHBondContact N-O 2.88Å; Q164-I172 PolarHBondContact O-N 3.13Å
165	P	54.2	Low	60.5	Low	98 Å²	98	79.3 Å²	79.3	64%	0.636	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	126.1	171.8	29.2	-32.6	0	0	0	110.3	Y171	P165-Y171 HydrophobicContact CB-CD1 3.96Å; P165-Y171 HydrophobicContact CB-CE1 3.85Å
166	L	57.1	Low	59.4	Low	91 Å²	91	80.3 Å²	80.3	48%	0.476	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	-38	177.2	-166	70.3	0	0	0	111.5	Q164 Q170 I172 M185	Q164-L166 PolarHBondContact O-N 3.42Å; L166-Q170 HydrophobicContact CB-CB 4.44Å; L166-Q170 PolarHBondContact N-O 2.93Å; L166-I172 HydrophobicContact CD1-CD1 3.87Å; L166-I172 HydrophobicContact CD2-CD1 4.24Å; L166-I172 HydrophobicContact CD2-CG1 4.44Å; L166-M185 HydrophobicContact CD2-SD 4.28Å
167	R	50.2	Low	57.8	Low	172 Å²	172	78.2 Å²	78.2	65%	0.649	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-152.4	172.9	177.9	-63.2	-167.6	-174.9	-175.1	3.3	107.8	E169 Q170	R167-E169 PolarHBondContact O-N 3.1Å; R167-Q170 HydrophobicContact CB-CB 4.27Å; R167-Q170 PolarHBondContact N-O 3.02Å; R167-Q170 PolarHBondContact O-N 2.99Å
168	P	49.8	Very low	56.4	Low	119 Å²	119	75.6 Å²	75.6	77%	0.773	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.1	134.1	157.7	-25.3	35.6	0	0	0	109.7	Q170	P168-Q170 PolarHBondContact O-N 2.73Å; P168-Q170 VanDerWaalsContact O-N 3.12Å
169	E	55.7	Low	55	Low	108 Å²	108	78.1 Å²	78.1	51%	0.505	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.3	10.3	173.2	-47.2	178.3	176.3	0	0	115.6	R167 P190	R167-E169 PolarHBondContact O-N 3.1Å; E169-P190 HydrophobicContact CG-CB 4.01Å; E169-P190 HydrophobicContact CG-CG 4.31Å
170	Q	48.5	Very low	53.9	Low	54 Å²	54	81.7 Å²	81.7	25%	0.252	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	126.6	176	-61.5	-170.2	-44.9	0	0	112.2	L166 R167 P168	L166-Q170 HydrophobicContact CB-CB 4.44Å; L166-Q170 PolarHBondContact N-O 2.93Å; R167-Q170 HydrophobicContact CB-CB 4.27Å; R167-Q170 PolarHBondContact N-O 3.02Å; R167-Q170 PolarHBondContact O-N 2.99Å; P168-Q170 PolarHBondContact O-N 2.73Å; P168-Q170 VanDerWaalsContact O-N 3.12Å
171	Y	61	Low	52.5	Low	57 Å²	57	91.6 Å²	91.6	22%	0.224	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	135.2	-177.5	-59.5	-89	0	0	0	111.3	F147 L163 Q164 P165 L186 L188	F147-Y171 HydrophobicContact CD2-CE2 4.4Å; F147-Y171 HydrophobicContact CE1-CE1 4.15Å; F147-Y171 AromaticContact CE1-CZ 3.99Å; F147-Y171 AromaticContact CE2-CD2 3.9Å; F147-Y171 HydrophobicContact CE2-CD2 3.9Å; F147-Y171 HydrophobicContact CE2-CE1 4.25Å; F147-Y171 AromaticContact CE2-CE2 3.6Å; F147-Y171 HydrophobicContact CE2-CE2 3.6Å; F147-Y171 HydrophobicContact CE2-CG 4.35Å; F147-Y171 AromaticContact CE2-CZ 3.79Å; F147-Y171 AromaticContact CZ-CD1 3.93Å; F147-Y171 HydrophobicContact CZ-CD1 3.93Å; F147-Y171 HydrophobicContact CZ-CD2 4.12Å; F147-Y171 AromaticContact CZ-CE1 3.51Å; F147-Y171 HydrophobicContact CZ-CE1 3.51Å; F147-Y171 AromaticContact CZ-CE2 3.72Å; F147-Y171 HydrophobicContact CZ-CE2 3.72Å; F147-Y171 HydrophobicContact CZ-CG 4.22Å; F147-Y171 AromaticContact CZ-CZ 3.39Å; L163-Y171 HydrophobicContact CD2-CD1 4.15Å; L163-Y171 HydrophobicContact CD2-CG 4.2Å; Q164-Y171 CarbonylContact O-C 3.59Å; Q164-Y171 WeakPolarHBondContact O-CA 3.15Å; P165-Y171 HydrophobicContact CB-CD1 3.96Å; P165-Y171 HydrophobicContact CB-CE1 3.85Å; Y171-L186 PolarHBondContact N-O 3.37Å; Y171-L186 PolarHBondContact O-N 2.8Å; Y171-L188 HydrophobicContact CD2-CD1 4.2Å
172	I	61.5	Low	51.5	Low	32 Å²	32	95.3 Å²	95.3	16%	0.164	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	130.4	169.4	-66.7	-177.6	0	0	0	108.8	L163 Q164 L166 M185	L163-I172 WeakPolarHBondContact CA-O 3.48Å; Q164-I172 PolarHBondContact N-O 2.88Å; Q164-I172 PolarHBondContact O-N 3.13Å; L166-I172 HydrophobicContact CD1-CD1 3.87Å; L166-I172 HydrophobicContact CD2-CD1 4.24Å; L166-I172 HydrophobicContact CD2-CG1 4.44Å; I172-M185 HydrophobicContact CG1-CG 4.31Å
173	M	63.6	Low	50.4	Low	19 Å²	19	99.6 Å²	99.6	9%	0.094	52%	0.522	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	129.8	174.7	-168.7	175.2	-68.4	0	0	110	L154 I160 L163 E184 L186	L154-M173 HydrophobicContact CD1-CE 4.29Å; I160-M173 HydrophobicContact CB-CG 4.42Å; I160-M173 HydrophobicContact CG2-CE 4.03Å; I160-M173 HydrophobicContact CG2-CG 3.47Å; I160-M173 VanDerWaalsContact CG2-CG 3.47Å; I160-M173 HydrophobicContact CG2-SD 3.44Å; I160-M173 WeakPolarHBondContact CG2-SD 3.24Å; L163-M173 HydrophobicContact CD1-CB 4.02Å; L163-M173 HydrophobicContact CD1-CE 3.97Å; L163-M173 HydrophobicContact CD1-CG 4.03Å; M173-E184 PolarHBondContact N-O 3.1Å; M173-L186 HydrophobicContact CB-CD1 4.43Å; M173-L186 HydrophobicContact CE-CD1 4.16Å; M173-L186 HydrophobicContact CE-CD2 3.93Å
174	H	57.1	Low	49.7	Very low	61 Å²	61	102.7 Å²	102.7	28%	0.282	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	114.9	170.3	-71	-98.4	0	0	0	108.9	G161 S162 Q183	G161-H174 WeakPolarHBondContact CA-O 3.4Å; G161-H174 PolarHBondContact N-O 2.95Å; S162-H174 PolarHBondContact N-O 3.05Å; S162-H174 PolarHBondContact O-N 3.31Å; H174-Q183 PolarHBondContact CE1-NE2 3.39Å
175	H	56.5	Low	48.7	Very low	78 Å²	78	102.6 Å²	102.6	36%	0.361	54%	0.536	S	S	.	.			trans	-68.2	157.9	173.8	-63.9	-65.3	0	0	0	112.4	V159	V159-H175 PolarHBondContact O-ND1 2.94Å
176	Q	48.6	Very low	48.4	Very low	100 Å²	100	99.4 Å²	99.4	47%	0.467	51%	0.514	S	S	.	.			trans	-72.2	145	176.8	-146.5	176.9	62	0	0	110.4	N158 G178	N158-Q176 PolarHBondContact OD1-NE2 3.32Å; Q176-G178 PolarHBondContact O-N 3.21Å
177	A	41.1	Very low	47.9	Very low	114 Å²	114	97.5 Å²	97.5	94%	0.942	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	91.1	-168.8	0	0	0	0	0	112.9
178	G	44	Very low	47.5	Very low	74 Å²	74	90.6 Å²	90.6	76%	0.763	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-169.8	-34.2	176.3	0	0	0	0	0	114.3	Q176	Q176-G178 PolarHBondContact O-N 3.21Å
179	L	35.4	Very low	47.3	Very low	152 Å²	152	87.1 Å²	87.1	80%	0.796	46%	0.457	S	S	*	.	S	Bend	trans	-115.4	149	174.9	-67.5	92.4	0	0	0	111.4
180	I	33.6	Very low	46.5	Very low	137 Å²	137	86 Å²	86	70%	0.703	46%	0.458	S	S	*	.			trans	23.8	115.4	168	-53.5	179.9	0	0	0	117.5	Q182	I180-Q182 HydrophobicContact CG2-CG 4.46Å; I180-Q182 PolarHBondContact O-N 3.11Å
181	K	31.9	Very low	46.2	Very low	215 Å²	215	92 Å²	92	94%	0.935	49%	0.486	S	S	*	.			trans	-76.2	77.9	173.9	-69.2	-176.6	178	178.7	0	113.2
182	Q	41	Very low	45.7	Very low	125 Å²	125	91 Å²	91	58%	0.584	49%	0.486	S	S	*	.			trans	-132.5	149.8	160.1	-69.9	-173.1	-32.3	0	0	110.3	I180	I180-Q182 HydrophobicContact CG2-CG 4.46Å; I180-Q182 PolarHBondContact O-N 3.11Å
183	Q	42.5	Very low	44.8	Very low	135 Å²	135	90.5 Å²	90.5	63%	0.631	49%	0.489	S	S	*	.			trans	-103.4	122.5	167.6	-74.3	-176.2	-95.3	0	0	107.3	H174	H174-Q183 PolarHBondContact CE1-NE2 3.39Å
184	E	47.7	Very low	43.9	Very low	99 Å²	99	93.8 Å²	93.8	46%	0.463	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	146.2	172.7	-70.6	-175.1	140.6	0	0	111	M173 L186	M173-E184 PolarHBondContact N-O 3.1Å; E184-L186 HydrophobicContact CB-CD1 4.24Å
185	M	42	Very low	43.6	Very low	115 Å²	115	94.5 Å²	94.5	57%	0.567	52%	0.516	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.7	92.1	-176.5	-170.4	-167.2	-34.4	0	0	108.1	L166 I172 V187	L166-M185 HydrophobicContact CD2-SD 4.28Å; I172-M185 HydrophobicContact CG1-CG 4.31Å; M185-V187 PolarHBondContact O-N 3.34Å
186	L	47.2	Very low	43	Very low	30 Å²	30	94.6 Å²	94.6	16%	0.157	52%	0.518	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	124.9	178.5	-85.4	76.3	0	0	0	110.2	Y171 M173 E184 L188 V195	Y171-L186 PolarHBondContact N-O 3.37Å; Y171-L186 PolarHBondContact O-N 2.8Å; M173-L186 HydrophobicContact CB-CD1 4.43Å; M173-L186 HydrophobicContact CE-CD1 4.16Å; M173-L186 HydrophobicContact CE-CD2 3.93Å; E184-L186 HydrophobicContact CB-CD1 4.24Å; L186-L188 HydrophobicContact CB-CD2 4.45Å; L186-L188 HydrophobicContact CB-CG 4.44Å; L186-L188 HydrophobicContact CD2-CD2 4.22Å; L186-V195 HydrophobicContact CD2-CG1 4.09Å; L186-V195 HydrophobicContact CD2-CG2 3.98Å; L186-V195 HydrophobicContact CG-CG1 4.15Å
187	V	47.7	Very low	42.9	Very low	51 Å²	51	94.4 Å²	94.4	31%	0.309	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	126.3	161.2	-175.8	0	0	0	0	106.8	M185 L196	M185-V187 PolarHBondContact O-N 3.34Å; V187-L196 HydrophobicContact CB-CB 4.34Å; V187-L196 HydrophobicContact CG1-CB 4.21Å; V187-L196 HydrophobicContact CG1-CD1 4.46Å; V187-L196 PolarHBondContact O-N 2.89Å
188	L	40.8	Very low	42.2	Very low	28 Å²	28	95.5 Å²	95.5	15%	0.147	52%	0.518	C	S	.	.	B	Isolated β-bridge	trans	-117.7	137.4	-176.1	-65.5	173.4	0	0	0	109.8	F147 Y171 L186 P190 D194 V195	F147-L188 HydrophobicContact CD2-CD1 4.12Å; F147-L188 HydrophobicContact CE2-CD1 3.84Å; Y171-L188 HydrophobicContact CD2-CD1 4.2Å; L186-L188 HydrophobicContact CB-CD2 4.45Å; L186-L188 HydrophobicContact CB-CG 4.44Å; L186-L188 HydrophobicContact CD2-CD2 4.22Å; L188-P190 WeakPolarHBondContact O-CD 3.49Å; L188-D194 WeakPolarHBondContact CA-O 3.45Å; L188-V195 HydrophobicContact CD2-CB 4.49Å; L188-V195 HydrophobicContact CD2-CG2 3.96Å
189	N	45.4	Very low	41.5	Very low	46 Å²	46	99.4 Å²	99.4	25%	0.246	52%	0.517	C	S	.	.			trans	-66.1	120.6	174.4	-177.6	-28.7	0	0	0	110	Q191 T192 G193 D194 L196	N189-Q191 PolarHBondContact O-N 2.84Å; N189-Q191 PolarHBondContact OD1-N 2.82Å; N189-T192 VanDerWaalsContact CB-OG1 3.27Å; N189-T192 WeakPolarHBondContact CB-OG1 3.38Å; N189-T192 PolarHBondContact ND2-OG1 3.43Å; N189-T192 PolarHBondContact O-N 3.22Å; N189-G193 PolarHBondContact O-N 2.82Å; N189-D194 HydrophobicContact CB-CB 4.36Å; N189-D194 PolarHBondContact N-O 2.82Å; N189-L196 HydrophobicContact CB-CD1 3.97Å; N189-L196 HydrophobicContact CB-CD2 4.33Å; N189-L196 HydrophobicContact CB-CG 4.13Å
190	P	39.7	Very low	41.1	Very low	83 Å²	83	102.9 Å²	102.9	54%	0.539	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-18.2	-174.8	28.9	-38.4	0	0	0	114.5	E169 L188	E169-P190 HydrophobicContact CG-CB 4.01Å; E169-P190 HydrophobicContact CG-CG 4.31Å; L188-P190 WeakPolarHBondContact O-CD 3.49Å
191	Q	41.6	Very low	40.8	Very low	180 Å²	180	101.6 Å²	101.6	84%	0.841	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-21.4	-178.9	-65.4	-170.1	-1.9	0	0	113.9	N189	N189-Q191 PolarHBondContact O-N 2.84Å; N189-Q191 PolarHBondContact OD1-N 2.82Å
192	T	49.8	Very low	40.6	Very low	36 Å²	36	95.7 Å²	95.7	22%	0.221	51%	0.51	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.2	-22.4	-172.8	60.5	0	0	0	0	114.6	N189 D194	N189-T192 VanDerWaalsContact CB-OG1 3.27Å; N189-T192 WeakPolarHBondContact CB-OG1 3.38Å; N189-T192 PolarHBondContact ND2-OG1 3.43Å; N189-T192 PolarHBondContact O-N 3.22Å; T192-D194 VanDerWaalsContact C-N 3.31Å; T192-D194 WeakPolarHBondContact CB-OD2 3.47Å; T192-D194 PolarHBondContact OG1-N 2.93Å; T192-D194 PolarHBondContact OG1-OD2 3.2Å
193	G	43.5	Very low	40	Very low	22 Å²	22	98.9 Å²	98.9	23%	0.227	52%	0.524	C	S	.	.			trans	83.6	-0.7	-173.4	0	0	0	0	0	114.8	N189	N189-G193 PolarHBondContact O-N 2.82Å
194	D	45.4	Very low	39.2	Very low	89 Å²	89	100.4 Å²	100.4	48%	0.476	53%	0.531	S	S	.	.			trans	-67.5	147.1	-177.7	-54	-43.4	0	0	0	112.3	L188 N189 T192	L188-D194 WeakPolarHBondContact CA-O 3.45Å; N189-D194 HydrophobicContact CB-CB 4.36Å; N189-D194 PolarHBondContact N-O 2.82Å; T192-D194 VanDerWaalsContact C-N 3.31Å; T192-D194 WeakPolarHBondContact CB-OD2 3.47Å; T192-D194 PolarHBondContact OG1-N 2.93Å; T192-D194 PolarHBondContact OG1-OD2 3.2Å
195	V	49.4	Very low	38.2	Very low	75 Å²	75	104.5 Å²	104.5	46%	0.455	55%	0.55	S	S	.	*	B	Isolated β-bridge	trans	-78.5	120.8	176.3	-171.7	0	0	0	0	110.5	L186 L188 S197	L186-V195 HydrophobicContact CD2-CG1 4.09Å; L186-V195 HydrophobicContact CD2-CG2 3.98Å; L186-V195 HydrophobicContact CG-CG1 4.15Å; L188-V195 HydrophobicContact CD2-CB 4.49Å; L188-V195 HydrophobicContact CD2-CG2 3.96Å; V195-S197 PolarHBondContact O-N 2.86Å
196	L	44.8	Very low	37.4	Very low	80 Å²	80	104.3 Å²	104.3	42%	0.419	56%	0.555	S	S	.	*			trans	-95.5	79.2	-179.8	-62.9	179.9	0	0	0	111.1	V187 N189	V187-L196 HydrophobicContact CB-CB 4.34Å; V187-L196 HydrophobicContact CG1-CB 4.21Å; V187-L196 HydrophobicContact CG1-CD1 4.46Å; V187-L196 PolarHBondContact O-N 2.89Å; N189-L196 HydrophobicContact CB-CD1 3.97Å; N189-L196 HydrophobicContact CB-CD2 4.33Å; N189-L196 HydrophobicContact CB-CG 4.13Å
197	S	45.3	Very low	36.4	Very low	96 Å²	96	110.6 Å²	110.6	67%	0.671	59%	0.589	S	S	*	*			trans	78	127.5	167.8	74.1	0	0	0	0	119.9	V195 Q199	V195-S197 PolarHBondContact O-N 2.86Å; S197-Q199 PolarHBondContact O-N 2.85Å
198	D	28.1	Very low	35.4	Very low	138 Å²	138	114 Å²	114	74%	0.738	61%	0.61	S	S	*	*	S	Bend	trans	-95.2	55.4	172.4	-64	-32.7	0	0	0	112.3
199	Q	28.5	Very low	34.6	Very low	155 Å²	155	119.5 Å²	119.5	72%	0.724	64%	0.638	S	S	*	*			trans	-139.3	67.9	178.1	-72.7	-159	2.8	0	0	115.2	S197	S197-Q199 PolarHBondContact O-N 2.85Å
200	Y	27.8	Very low	33.8	Very low	225 Å²	225	123.7 Å²	123.7	88%	0.882	67%	0.666	S	S	*	*			trans	-149.4	68.2	160.7	-97.2	-64	0	0	0	115.2	S202	Y200-S202 PolarHBondContact O-N 2.92Å
201	S	26.7	Very low	33.1	Very low	111 Å²	111	126.3 Å²	126.3	78%	0.776	68%	0.68	S	S	*	*			trans	-87.7	98.2	164.9	-156	0	0	0	0	110.6
202	S	27.2	Very low	32.2	Very low	90 Å²	90	121.6 Å²	121.6	63%	0.629	68%	0.681	S	S	*	*			trans	-109.1	102.5	-175.4	57.7	0	0	0	0	112.7	Y200 H204	Y200-S202 PolarHBondContact O-N 2.92Å; S202-H204 VanDerWaalsContact C-N 3.34Å; S202-H204 PolarHBondContact O-N 2.86Å
203	H	28.3	Very low	31.1	Very low	192 Å²	192	123.4 Å²	123.4	89%	0.889	71%	0.706	S	S	*	*			trans	-75.4	82.9	172.3	-100.4	-56.8	0	0	0	111.6	Q205	H203-Q205 PolarHBondContact O-N 2.79Å
204	H	25.9	Very low	30.3	Very low	167 Å²	167	129 Å²	129	77%	0.773	74%	0.736	S	S	*	*			trans	-73.8	109.1	162.4	-109.8	-60.5	0	0	0	109.9	S202	S202-H204 VanDerWaalsContact C-N 3.34Å; S202-H204 PolarHBondContact O-N 2.86Å
205	Q	27.5	Very low	29.5	Very low	185 Å²	185	132.4 Å²	132.4	86%	0.864	75%	0.749	S	S	*	*			trans	-121.8	107.3	157.7	-151.4	175.8	52.3	0	0	108.9	H203	H203-Q205 PolarHBondContact O-N 2.79Å
206	T	23.9	Very low	28.3	Very low	111 Å²	111	137.7 Å²	137.7	68%	0.681	77%	0.768	S	S	*	*			trans	-80	128.8	-176.8	48.1	0	0	0	0	111.5
207	N	27.8	Very low	27.6	Very low	162 Å²	162	142 Å²	142	87%	0.866	78%	0.784	S	S	*	*			trans	-147.5	96.8	154.5	-97.2	-32.8	0	0	0	110.9
208	T	25.7	Very low	26.6	Very low	122 Å²	122	141.8 Å²	141.8	75%	0.748	79%	0.788	S	S	*	*			trans	-64.6	156.1	154.7	37.4	0	0	0	0	109.8
209	I	24.6	Very low	26.8	Very low	144 Å²	144	145.6 Å²	145.6	74%	0.738	79%	0.792	S	S	*	*			cis	-156.6	153	2.1	-107.7	153.6	0	0	0	106.5
210	T	28.1	Very low	26.7	Very low	134 Å²	134	145.1 Å²	145.1	82%	0.822	79%	0.794	S	S	*	*			trans	-175	146.9	133.6	-76.2	0	0	0	0	110.5
211	T	24.3	Very low	26.8	Very low	138 Å²	138	140.4 Å²	140.4	85%	0.847	78%	0.783	S	S	*	*			trans	-84.3	147.6	-172.4	48.9	0	0	0	0	115.3
212	G	24.1	Very low	26.7	Very low	82 Å²	82	140.5 Å²	140.5	85%	0.845	78%	0.779	S	S	*	*			trans	128.4	143.4	146.4	0	0	0	0	0	116.3
213	G	27	Very low	27	Very low	74 Å²	74	140.6 Å²	140.6	76%	0.763	78%	0.78	S	S	*	*			trans	117.4	81	164.7	0	0	0	0	0	116.3	H215	G213-H215 PolarHBondContact O-N 3.02Å
214	T	26.1	Very low	27	Very low	138 Å²	138	137.2 Å²	137.2	85%	0.847	77%	0.773	S	S	*	*			trans	-73.8	111.6	161.4	45.2	0	0	0	0	110.4
215	H	27.9	Very low	27.3	Very low	161 Å²	161	133.2 Å²	133.2	75%	0.745	76%	0.757	S	S	*	*			trans	-141	121.9	168	-88.3	-77.5	0	0	0	112	G213	G213-H215 PolarHBondContact O-N 3.02Å
216	H	25.3	Very low	27.4	Very low	186 Å²	186	128.3 Å²	128.3	86%	0.861	74%	0.743	S	S	*	*			trans	-68.1	131.9	164.5	-70.6	-97.9	0	0	0	109.8
217	F	29.2	Very low	27.7	Very low	171 Å²	171	127.6 Å²	127.6	75%	0.75	74%	0.739	S	S	*	*			trans	-144	85.2	158.8	-89.7	-70.4	0	0	0	110.6
218	A	25.4	Very low	27.9	Very low	91 Å²	91	126.1 Å²	126.1	75%	0.752	74%	0.735	S	S	*	*			trans	-67.3	136	149	0	0	0	0	0	107.9
219	R	30.8	Very low	27.9	Very low	218 Å²	218	125.2 Å²	125.2	82%	0.823	73%	0.729	S	S	*	*			trans	-121.1	99.5	174.1	-101.6	-173.5	171.9	174.8	-1.5	109.5	I221	R219-I221 PolarHBondContact O-N 3.44Å
220	N	26.3	Very low	28.4	Very low	146 Å²	146	124.2 Å²	124.2	78%	0.781	73%	0.732	S	S	*	*			trans	-57.5	122.4	161.3	-91.7	-48.7	0	0	0	109.3
221	I	30.5	Very low	28.6	Very low	125 Å²	125	123.1 Å²	123.1	64%	0.641	73%	0.73	S	S	*	*			trans	-101.1	70.7	168.3	-53.9	-176.9	0	0	0	108.3	R219 S223	R219-I221 PolarHBondContact O-N 3.44Å; I221-S223 VanDerWaalsContact C-N 3.34Å; I221-S223 PolarHBondContact O-N 3.02Å; I221-S223 VanDerWaalsContact O-N 3.1Å
222	T	25.5	Very low	28.8	Very low	114 Å²	114	120.7 Å²	120.7	70%	0.699	73%	0.732	S	S	*	*			trans	-75.6	88.5	162.8	29.4	0	0	0	0	108.9	T224	T222-T224 PolarHBondContact O-N 2.86Å
223	S	31.9	Very low	29.1	Very low	92 Å²	92	120.6 Å²	120.6	64%	0.643	73%	0.731	S	S	*	*			trans	-76.2	60.8	178.9	56.3	0	0	0	0	112.6	I221 N225	I221-S223 VanDerWaalsContact C-N 3.34Å; I221-S223 PolarHBondContact O-N 3.02Å; I221-S223 VanDerWaalsContact O-N 3.1Å; S223-N225 WeakPolarHBondContact O-CB 3.48Å; S223-N225 PolarHBondContact O-N 2.88Å
224	T	29.1	Very low	29.3	Very low	120 Å²	120	125 Å²	125	74%	0.736	74%	0.737	S	S	*	*			trans	-67.2	101.2	163.3	43.6	0	0	0	0	108.9	T222 S226	T222-T224 PolarHBondContact O-N 2.86Å; T224-S226 PolarHBondContact O-N 3.22Å
225	N	31.4	Very low	29.8	Very low	83 Å²	83	125.5 Å²	125.5	44%	0.444	74%	0.74	S	S	.	*			trans	-106.3	54.6	-154.1	-171.3	-12	0	0	0	111.7	M1 S2 S223	M1-N225 CarbonylContact C-O 3.57Å; M1-N225 VanDerWaalsContact CA-O 3.24Å; M1-N225 WeakPolarHBondContact CA-O 3.48Å; M1-N225 WeakPolarHBondContact CE-O 3.49Å; M1-N225 VanDerWaalsContact CG-O 3.23Å; M1-N225 WeakPolarHBondContact CG-O 3.34Å; M1-N225 PolarHBondContact N-ND2 3.36Å; M1-N225 PolarHBondContact N-O 2.73Å; M1-N225 PolarHBondContact N-OD1 3.36Å; S2-N225 WeakPolarHBondContact CA-O 3.45Å; S2-N225 PolarHBondContact N-O 2.93Å; S2-N225 PolarHBondContact OG-N 3.41Å; S223-N225 WeakPolarHBondContact O-CB 3.48Å; S223-N225 PolarHBondContact O-N 2.88Å
226	S	29.7	Very low	30	Very low	82 Å²	82	123.5 Å²	123.5	57%	0.573	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-99.5	122.1	-170.4	-60.3	0	0	0	0	113.2	S2 T224	S2-S226 WeakPolarHBondContact CB-OG 3.49Å; T224-S226 PolarHBondContact O-N 3.22Å
227	V	31.7	Very low	30.2	Very low	97 Å²	97	118.2 Å²	118.2	59%	0.588	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-83.5	123.3	166.2	155.9	0	0	0	0	109.2	M1 V229	M1-V227 HydrophobicContact CE-CB 3.86Å; M1-V227 HydrophobicContact CE-CG2 3.32Å; M1-V227 HydrophobicContact SD-CB 4.33Å; M1-V227 HydrophobicContact SD-CG2 4.24Å; V227-V229 HydrophobicContact CG1-CG2 4Å
228	V	30.5	Very low	30.6	Very low	131 Å²	131	115.9 Å²	115.9	79%	0.794	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-86.6	124.5	159.8	175.8	0	0	0	0	107.6	P230	V228-P230 WeakPolarHBondContact O-CD 3.5Å
229	V	27.1	Very low	31.5	Very low	102 Å²	102	117 Å²	117	62%	0.618	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-89.5	125	173.5	179	0	0	0	0	109.5	V227	V227-V229 HydrophobicContact CG1-CG2 4Å
230	P	34.3	Very low	31.6	Very low	124 Å²	124	113.5 Å²	113.5	81%	0.805	74%	0.744	S	S	*	*			trans	-98.2	105.6	163.3	33.3	-25.7	0	0	0	110.3	V228	V228-P230 WeakPolarHBondContact O-CD 3.5Å
231	S	31.4	Very low	31.9	Very low	110 Å²	110	110.2 Å²	110.2	77%	0.769	75%	0.745	S	S	*	*			trans	-93.2	143.5	178.3	-63.2	0	0	0	0	112.7
232	G	29.2	Very low	31.9	Very low	87 Å²	87	110.2 Å²	110.2	90%	0.897	76%	0.756	S	S	*	*			trans	106.3	117	155.1	0	0	0	0	0	116.6
233	G	31.5	Very low	32.2	Very low	80 Å²	80	108.5 Å²	108.5	83%	0.825	76%	0.76	S	S	*	*			trans	178.8	54.5	178.1	0	0	0	0	0	114.9
234	N	29.9	Very low	32.1	Very low	167 Å²	167	110.8 Å²	110.8	89%	0.893	77%	0.771	S	S	*	*			trans	-75.6	125.4	179.5	-76.4	-12.4	0	0	0	113.1
235	V	36.2	Very low	32.4	Very low	148 Å²	148	112.1 Å²	112.1	90%	0.897	78%	0.778	S	S	*	*			trans	-143.8	147.6	143.9	-174	0	0	0	0	108.7
236	S	32.4	Very low	32.5	Very low	120 Å²	120	113.1 Å²	113.1	84%	0.839	80%	0.798	S	S	*	*			trans	-103.3	159	-172.6	48.5	0	0	0	0	114.3
237	G	30.7	Very low	32.6	Very low	75 Å²	75	112.9 Å²	112.9	77%	0.773	81%	0.809	S	S	*	*			trans	161.5	110.8	164.2	0	0	0	0	0	117.8
238	P	37.8	Very low	32.7	Very low	121 Å²	121	116.8 Å²	116.8	79%	0.786	82%	0.821	S	S	*	*			trans	-117.1	179	162.5	40.4	-30.5	0	0	0	112
239	P	44.3	Very low	32.7	Very low	115 Å²	115	118.5 Å²	118.5	75%	0.747	82%	0.82	S	S	*	*			cis	-132.8	-153	-30.5	31.8	-9.3	0	0	0	112.2
240	V	32.4	Very low	33.1	Very low	144 Å²	144	123.6 Å²	123.6	87%	0.873	83%	0.834	S	S	*	*			trans	91.6	124.9	162.8	-169.7	0	0	0	0	117.6
241	G	32.8	Very low	32.9	Very low	77 Å²	77	121.3 Å²	121.3	79%	0.794	83%	0.833	S	S	*	*			trans	175.9	111.1	167.9	0	0	0	0	0	110.9
242	S	30.9	Very low	33	Very low	126 Å²	126	121.6 Å²	121.6	88%	0.881	84%	0.835	S	S	*	*			trans	-103.5	153.5	-173.5	50.4	0	0	0	0	113.3
243	G	31.7	Very low	33.1	Very low	77 Å²	77	122.8 Å²	122.8	79%	0.794	83%	0.825	S	S	*	*			trans	-164.7	120	174.5	0	0	0	0	0	112.2
244	T	30	Very low	33	Very low	140 Å²	140	126.4 Å²	126.4	86%	0.859	82%	0.824	S	S	*	*			trans	-129.1	143	-173.5	-48.1	0	0	0	0	110
245	V	34.8	Very low	32.9	Very low	148 Å²	148	128.2 Å²	128.2	90%	0.897	82%	0.819	S	S	*	*			trans	-176	154.4	138.4	141.3	0	0	0	0	110.9
246	A	32.3	Very low	33	Very low	104 Å²	104	126.8 Å²	126.8	86%	0.86	81%	0.813	S	S	*	*			trans	-89.1	166.5	-158.2	0	0	0	0	0	117.6
247	G	32.4	Very low	33	Very low	78 Å²	78	130.3 Å²	130.3	80%	0.804	81%	0.814	S	S	*	*			trans	-158.1	128.4	167.5	0	0	0	0	0	112.9
248	Q	34	Very low	33	Very low	179 Å²	179	134 Å²	134	84%	0.836	82%	0.821	S	S	*	*			trans	-62.4	132	-167.2	-75.2	165.5	-31.2	0	0	117.1
249	Q	31.7	Very low	32.8	Very low	166 Å²	166	131.6 Å²	131.6	78%	0.776	82%	0.819	S	S	*	*				60	114.4	105.8	-61.8	-172.9	-15	0	0	120.6
250	K	33.7	Very low	32.5	Very low	210 Å²	210	135.1 Å²	135.1	91%	0.913	83%	0.825	S	S	*	*				171.5	150.8	113.6	-96.2	177.8	179.4	179.9	0	113.7
251	G	30.7	Very low	32.5	Very low	75 Å²	75	135.4 Å²	135.4	77%	0.773	82%	0.822	S	S	*	*			trans	91.8	119.5	174.1	0	0	0	0	0	113.5
252	S	33	Very low	33	Very low	116 Å²	116	136.7 Å²	136.7	81%	0.811	82%	0.816	S	S	*	*			cis	83	124	49.4	179.8	0	0	0	0	113.2
253	T	31.2	Very low	33.2	Very low	112 Å²	112	137.7 Å²	137.7	69%	0.687	81%	0.81	S	S	*	*			cis	-160.5	132.5	-8.1	-79.7	0	0	0	0	109.4
254	I	29.4	Very low	33.3	Very low	157 Å²	157	141.9 Å²	141.9	81%	0.805	81%	0.814	S	S	*	*			trans	-144.3	137.5	157.2	-59.3	-176	0	0	0	109
255	Y	29.1	Very low	33.5	Very low	204 Å²	204	138.9 Å²	138.9	80%	0.8	81%	0.811	S	S	*	*			trans	-130.1	142.1	158.5	-81.5	-72.9	0	0	0	108.6
256	P	38.9	Very low	33.4	Very low	119 Å²	119	135.4 Å²	135.4	77%	0.773	81%	0.805	S	S	*	*				-131.1	162.9	117	37	-31	0	0	0	112.7
257	K	32.2	Very low	33.5	Very low	194 Å²	194	136.4 Å²	136.4	84%	0.843	80%	0.801	S	S	*	*			trans	-114.2	138.6	168.3	-78.5	-174.2	175.5	-178.1	0	110
258	T	30.3	Very low	33.6	Very low	151 Å²	151	140.4 Å²	140.4	93%	0.926	80%	0.804	S	S	*	*			trans	-125.2	149.3	159.6	45.2	0	0	0	0	108.7
259	G	34.1	Very low	33.5	Very low	72 Å²	72	136.1 Å²	136.1	74%	0.742	81%	0.807	S	S	*	*			trans	-160.1	138.3	-176	0	0	0	0	0	111
260	Q	36.9	Very low	33.6	Very low	188 Å²	188	132 Å²	132	88%	0.879	81%	0.81	S	S	*	*			trans	-76	133.8	-164.9	-65.6	125.3	-46	0	0	114.4
261	N	32.2	Very low	33.6	Very low	151 Å²	151	129.3 Å²	129.3	81%	0.807	81%	0.811	S	S	*	*				42.9	152.3	102.7	-102.5	14.8	0	0	0	120.1
262	P	42.8	Very low	33.8	Very low	103 Å²	103	129.5 Å²	129.5	67%	0.669	81%	0.812	S	S	*	*				-132.5	-162.5	-92.4	38	-18.7	0	0	0	112.8
263	I	35.8	Very low	34	Very low	147 Å²	147	127.7 Å²	127.7	75%	0.754	81%	0.805	S	S	*	*			trans	153.7	146	142	-79.6	157.8	0	0	0	114.1
264	D	34.3	Very low	34.1	Very low	165 Å²	165	130.1 Å²	130.1	88%	0.882	81%	0.814	S	S	*	*			trans	63.2	151.8	164.3	-71.9	-19.7	0	0	0	123.2
265	G	32.9	Very low	34.4	Very low	77 Å²	77	128.4 Å²	128.4	79%	0.794	82%	0.815	S	S	*	*			trans	-179.2	-68.8	174.7	0	0	0	0	0	119.5
266	G	33.2	Very low	34.6	Very low	75 Å²	75	124.6 Å²	124.6	77%	0.773	82%	0.818	S	S	*	*			trans	71.1	178.4	-168.3	0	0	0	0	0	114.4
267	T	35.6	Very low	34.4	Very low	125 Å²	125	122.7 Å²	122.7	77%	0.767	82%	0.821	S	S	*	*			cis	-162.8	144.5	-15.5	-1.4	0	0	0	0	110.9
268	N	33.2	Very low	34.5	Very low	163 Å²	163	119.5 Å²	119.5	87%	0.872	82%	0.823	S	S	*	*			trans	55	133.7	153.6	-62	-17.6	0	0	0	122.9
269	G	32.3	Very low	34.7	Very low	88 Å²	88	117 Å²	117	91%	0.907	82%	0.817	S	S	*	*			trans	136.9	96.6	135.4	0	0	0	0	0	117.9
270	G	33.7	Very low	34.5	Very low	81 Å²	81	117.7 Å²	117.7	84%	0.835	82%	0.824	S	S	*	*			trans	171.8	106.1	168.1	0	0	0	0	0	113.3
271	V	34.7	Very low	34.3	Very low	153 Å²	153	112.7 Å²	112.7	93%	0.927	82%	0.823	S	S	*	*			trans	-110.2	135.3	-176	176.9	0	0	0	0	111
272	G	34.7	Very low	34.1	Very low	78 Å²	78	109 Å²	109	80%	0.804	82%	0.821	S	S	*	*			trans	-155	138.3	167	0	0	0	0	0	109
273	A	35.8	Very low	33.7	Very low	79 Å²	79	110 Å²	110	65%	0.653	83%	0.828	S	S	*	*			trans	-136.9	169.2	-163.3	0	0	0	0	0	113.9
274	N	34.3	Very low	33.6	Very low	163 Å²	163	108.5 Å²	108.5	87%	0.872	83%	0.83	S	S	*	*			trans	75.6	142.7	178.8	-47.8	-30.9	0	0	0	113.8
275	S	36.6	Very low	33.3	Very low	120 Å²	120	111 Å²	111	84%	0.839	83%	0.833	S	S	*	*			cis	-135.7	158.2	23.8	53.4	0	0	0	0	114.6
276	S	33	Very low	33.3	Very low	124 Å²	124	113.5 Å²	113.5	87%	0.867	84%	0.839	S	S	*	*			trans	-90.7	139.9	171.2	48.4	0	0	0	0	111.9
277	G	34.8	Very low	33.2	Very low	80 Å²	80	112.9 Å²	112.9	83%	0.825	83%	0.832	S	S	*	*			trans	-152.2	133.9	169.6	0	0	0	0	0	109.4
278	S	32.8	Very low	32.7	Very low	126 Å²	126	113.5 Å²	113.5	88%	0.881	84%	0.836	S	S	*	*			trans	-140.7	126.6	-171.5	-179.8	0	0	0	0	111.1
279	A	35.1	Very low	32.6	Very low	98 Å²	98	113.7 Å²	113.7	81%	0.81	84%	0.836	S	S	*	*			trans	173.9	140	143.8	0	0	0	0	0	112.6
280	G	29.3	Very low	32.4	Very low	87 Å²	87	116.5 Å²	116.5	90%	0.897	84%	0.835	S	S	*	*			trans	71.4	105	138.9	0	0	0	0	0	120.1
281	G	33	Very low	32.4	Very low	83 Å²	83	115.5 Å²	115.5	86%	0.856	83%	0.825	S	S	*	*			trans	161	82.7	163.6	0	0	0	0	0	115.2
282	G	28	Very low	32	Very low	74 Å²	74	112 Å²	112	76%	0.763	82%	0.82	S	S	*	*			trans	-81.6	172.2	155.5	0	0	0	0	0	110.6
283	P	35.5	Very low	31.9	Very low	125 Å²	125	111.8 Å²	111.8	81%	0.812	82%	0.817	S	S	*	*			cis	-142.5	-157.1	44.4	41.2	-21.7	0	0	0	114.9
284	S	33.9	Very low	32.4	Very low	114 Å²	114	115.3 Å²	115.3	80%	0.797	82%	0.824	S	S	*	*			trans	74.4	90.3	161.1	-59	0	0	0	0	118	S286	S284-S286 PolarHBondContact O-N 2.93Å
285	K	26.9	Very low	33.2	Very low	218 Å²	218	115.5 Å²	115.5	95%	0.948	83%	0.825	S	S	*	*			trans	-65.1	123.8	157	-61.3	172.3	-179.2	175.4	0	109.2
286	S	32.7	Very low	34.6	Very low	130 Å²	130	116.7 Å²	116.7	91%	0.909	81%	0.812	S	S	*	*			trans	-109.5	125.1	152.7	-175.8	0	0	0	0	107.6	S284	S284-S286 PolarHBondContact O-N 2.93Å
287	G	31.1	Very low	37	Very low	62 Å²	62	112.9 Å²	112.9	64%	0.639	79%	0.785	S	S	*	*			trans	-118.4	129.1	-175.1	0	0	0	0	0	111.4
288	T	26.2	Very low	39.8	Very low	137 Å²	137	115 Å²	115	84%	0.84	77%	0.768	S	S	*	*			trans	43.5	102.5	148.4	-48.7	0	0	0	0	117.9
289	L	29.6	Very low	42.7	Very low	167 Å²	167	110.7 Å²	110.7	87%	0.874	73%	0.734	S	S	*	*			trans	-157.9	76.3	132.9	-110.6	173.1	0	0	0	110.6	G291	L289-G291 VanDerWaalsContact C-N 3.29Å; L289-G291 PolarHBondContact O-N 3.15Å; L289-G291 VanDerWaalsContact O-N 3.1Å
290	V	29.7	Very low	45.6	Very low	148 Å²	148	109.2 Å²	109.2	90%	0.897	72%	0.715	S	S	*	*			trans	-79.7	86.2	163.6	-179.4	0	0	0	0	107.2	G292	V290-G292 PolarHBondContact O-N 3.35Å
291	G	32	Very low	48.8	Very low	60 Å²	60	108.1 Å²	108.1	62%	0.619	68%	0.684	S	S	*	*			trans	-65.8	124.9	170.4	0	0	0	0	0	109.7	L289 G293	L289-G291 VanDerWaalsContact C-N 3.29Å; L289-G291 PolarHBondContact O-N 3.15Å; L289-G291 VanDerWaalsContact O-N 3.1Å; G291-G293 PolarHBondContact O-N 3.39Å
292	G	27.9	Very low	51.7	Low	79 Å²	79	106.2 Å²	106.2	81%	0.814	65%	0.654	S	S	*	*			trans	-69	95	174	0	0	0	0	0	110.3	V290 L294	V290-G292 PolarHBondContact O-N 3.35Å; G292-L294 PolarHBondContact O-N 3.06Å
293	G	32.9	Very low	54.9	Low	73 Å²	73	102.7 Å²	102.7	75%	0.753	62%	0.618	S	S	*	*			trans	-63.3	115.6	170.4	0	0	0	0	0	109.9	G291 D295	G291-G293 PolarHBondContact O-N 3.39Å; G293-D295 PolarHBondContact O-N 3.45Å
294	L	45	Very low	57.5	Low	153 Å²	153	100.2 Å²	100.2	80%	0.801	60%	0.595	S	S	*	*			trans	-61.5	123.6	157.3	-75.8	162.3	0	0	0	106.9	G292 R296	G292-L294 PolarHBondContact O-N 3.06Å; L294-R296 PolarHBondContact O-N 2.98Å
295	D	50.6	Low	60.3	Low	167 Å²	167	102.2 Å²	102.2	89%	0.893	59%	0.591	S	S	*	*			trans	-69.8	95.3	-176.2	-164.4	14	0	0	0	109.4	G293 S297	G293-D295 PolarHBondContact O-N 3.45Å; D295-S297 PolarHBondContact O-N 2.93Å
296	R	67.2	Low	63.5	Low	146 Å²	146	92.3 Å²	92.3	55%	0.551	55%	0.549	S	S	*	.			trans	-76.1	122.4	-175.9	-67	-178	-177.5	-177.5	-1	109.1	L294 R298	L294-R296 PolarHBondContact O-N 2.98Å; R296-R298 PolarHBondContact O-N 3.45Å
297	S	83.6	Confident	66.4	Low	43 Å²	43	91 Å²	91	30%	0.301	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	123	168.1	-168.4	0	0	0	0	108.8	D295 T334 E335	D295-S297 PolarHBondContact O-N 2.93Å; S297-T334 CarbonylContact O-C 3.58Å; S297-T334 VanDerWaalsContact O-CA 3.22Å; S297-T334 WeakPolarHBondContact O-CA 3.35Å; S297-T334 WeakPolarHBondContact O-CG2 3.26Å; S297-E335 PolarHBondContact O-N 2.87Å
298	R	92.4	Very high	69.4	Low	124 Å²	124	88.7 Å²	88.7	47%	0.468	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	124.2	177.6	-168.4	176.7	-170	-110.9	2.5	109.6	R296 V300 E335 V337 E339	R296-R298 PolarHBondContact O-N 3.45Å; R298-V300 HydrophobicContact CG-CG2 4.33Å; R298-E335 CarbonylContact C-O 3.59Å; R298-E335 WeakPolarHBondContact CA-O 3.44Å; R298-E335 WeakPolarHBondContact CD-OE2 3.27Å; R298-E335 HydrophobicContact CG-CB 4.4Å; R298-E335 WeakPolarHBondContact CG-OE2 3.49Å; R298-E335 IonicContact NE-OE2 2.65Å; R298-E335 PolarHBondContact NE-OE2 2.85Å; R298-V337 HydrophobicContact CG-CG2 4.37Å; R298-E339 IonicContact NH1-OE1 3.42Å; R298-E339 IonicContact NH2-OE1 2.96Å
299	Q	93.9	Very high	72.5	Confident	37 Å²	37	83.4 Å²	83.4	17%	0.173	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	123	174.2	-58.3	-171.2	18.5	0	0	108.4	Y301 R327 T334 E335 V336 V337	Q299-Y301 HydrophobicContact CB-CE2 3.9Å; Q299-Y301 PolarHBondContact OE1-OH 3.47Å; Q299-R327 PolarHBondContact NE2-O 3.23Å; Q299-T334 HydrophobicContact CG-CG2 3.92Å; Q299-E335 PolarHBondContact N-O 3.49Å; Q299-V336 CarbonylContact O-C 3.58Å; Q299-V336 WeakPolarHBondContact O-CA 3.33Å; Q299-V337 PolarHBondContact O-N 3.37Å
300	V	95.6	Very high	75.5	Confident	67 Å²	67	80 Å²	80	41%	0.406	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	135.8	-178.3	-178.6	0	0	0	0	109.6	R298 V337 E339	R298-V300 HydrophobicContact CG-CG2 4.33Å; V300-V337 CarbonylContact C-O 3.32Å; V300-V337 WeakPolarHBondContact CA-O 3.37Å; V300-E339 HydrophobicContact CG1-CG 3.99Å; V300-E339 VanDerWaalsContact CG1-OE1 3.27Å; V300-E339 WeakPolarHBondContact CG1-OE1 3.32Å; V300-E339 WeakPolarHBondContact CG1-OE2 3.39Å
301	Y	96.5	Very high	78.7	Confident	63 Å²	63	72.9 Å²	72.9	25%	0.247	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	135.5	178.4	-68.5	-83.9	0	0	0	110.6	Q299 M303 I324 P326 V336 V337 F338 E339	Q299-Y301 HydrophobicContact CB-CE2 3.9Å; Q299-Y301 PolarHBondContact OE1-OH 3.47Å; Y301-M303 PolarHBondContact O-N 3.45Å; Y301-I324 HydrophobicContact CD1-CG2 4.11Å; Y301-I324 HydrophobicContact CE1-CG2 3.88Å; Y301-I324 HydrophobicContact CE2-CG2 4.39Å; Y301-I324 HydrophobicContact CG-CG2 4.48Å; Y301-P326 HydrophobicContact CE2-CB 4.45Å; Y301-P326 HydrophobicContact CE2-CG 4.49Å; Y301-P326 WeakPolarHBondContact OH-CA 3.45Å; Y301-V336 HydrophobicContact CD2-CG1 3.8Å; Y301-V336 HydrophobicContact CE2-CG1 3.89Å; Y301-V337 PolarHBondContact N-O 3.28Å; Y301-F338 HydrophobicContact CD2-CE1 4.15Å; Y301-F338 HydrophobicContact CG-CD1 4.5Å; Y301-F338 HydrophobicContact CG-CE1 4.13Å; Y301-F338 VanDerWaalsContact O-CA 3.3Å; Y301-F338 WeakPolarHBondContact O-CA 3.36Å; Y301-E339 PolarHBondContact O-N 3.17Å
302	N	94	Very high	81.7	Confident	44 Å²	44	70.3 Å²	70.3	24%	0.235	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	119.8	165.5	179.8	-5.6	0	0	0	108.8	F304 E305 C306	N302-F304 VanDerWaalsContact C-N 3.25Å; N302-F304 PolarHBondContact O-N 2.99Å; N302-F304 PolarHBondContact OD1-N 2.89Å; N302-E305 HydrophobicContact CB-CB 4.18Å; N302-E305 HydrophobicContact CB-CG 4.03Å; N302-E305 WeakPolarHBondContact CB-OE1 3.18Å; N302-E305 PolarHBondContact ND2-OE1 2.82Å; N302-E305 PolarHBondContact O-N 2.96Å; N302-C306 PolarHBondContact O-N 2.75Å; N302-C306 PolarHBondContact O-SG 2.8Å
303	M	95.1	Very high	85	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-59.8	-37.6	-178.8	-173.1	62.9	84.6	0	0	111.5	Y301 E305 C306 R322 F338 E339 L341 L551 V567 Y569	Y301-M303 PolarHBondContact O-N 3.45Å; M303-E305 VanDerWaalsContact C-N 3.28Å; M303-E305 PolarHBondContact O-N 3.33Å; M303-C306 WeakPolarHBondContact O-CB 3.3Å; M303-C306 PolarHBondContact O-N 2.79Å; M303-C306 VanDerWaalsContact O-N 3.1Å; M303-R322 WeakPolarHBondContact O-CD 3.34Å; M303-R322 VanDerWaalsContact O-CZ 3.28Å; M303-R322 PolarHBondContact O-NE 2.79Å; M303-R322 PolarHBondContact O-NH1 2.6Å; M303-R322 VanDerWaalsContact O-NH1 3.11Å; M303-R322 HydrophobicContact SD-CB 4.41Å; M303-F338 HydrophobicContact CB-CB 4.49Å; M303-F338 HydrophobicContact CE-CB 3.55Å; M303-F338 HydrophobicContact CE-CD1 3.96Å; M303-F338 HydrophobicContact CE-CD2 4.18Å; M303-F338 HydrophobicContact CE-CG 3.61Å; M303-F338 HydrophobicContact SD-CD1 4.21Å; M303-F338 HydrophobicContact SD-CG 4.45Å; M303-E339 PolarHBondContact N-O 3.41Å; M303-L341 HydrophobicContact CB-CG 4.32Å; M303-L341 HydrophobicContact CE-CD2 3.86Å; M303-L341 HydrophobicContact CE-CG 4.12Å; M303-L341 HydrophobicContact CG-CG 4.35Å; M303-L551 HydrophobicContact CE-CD2 4.13Å; M303-V567 HydrophobicContact CE-CB 4.49Å; M303-V567 HydrophobicContact CE-CG1 3.91Å; M303-Y569 HydrophobicContact CE-CE1 4.28Å; M303-Y569 HydrophobicContact CG-CE1 4.29Å; M303-Y569 HydrophobicContact SD-CE1 4.07Å
304	F	91.4	Very high	88	Confident	73 Å²	73	63.6 Å²	63.6	32%	0.32	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-66	-29.3	-178.9	-59.1	-22.5	0	0	0	113.2	N302 R322 H340 E605	N302-F304 VanDerWaalsContact C-N 3.25Å; N302-F304 PolarHBondContact O-N 2.99Å; N302-F304 PolarHBondContact OD1-N 2.89Å; F304-R322 PolarHBondContact O-NH1 2.65Å; F304-H340 WeakPolarHBondContact CD1-O 3.28Å; F304-H340 HydrophobicContact CD2-CB 4.15Å; F304-H340 WeakPolarHBondContact CE1-O 3.34Å; F304-H340 HydrophobicContact CE2-CB 4.04Å; F304-H340 HydrophobicContact CZ-CB 4.44Å; F304-H340 VanDerWaalsContact CZ-O 3.25Å; F304-H340 WeakPolarHBondContact CZ-O 3.42Å; F304-E605 HydrophobicContact CD1-CB 3.7Å; F304-E605 HydrophobicContact CD1-CG 4.42Å; F304-E605 VanDerWaalsContact CD1-OE2 3.27Å; F304-E605 WeakPolarHBondContact CD1-OE2 3.45Å; F304-E605 HydrophobicContact CE1-CB 3.43Å; F304-E605 VanDerWaalsContact CE1-CB 3.43Å; F304-E605 HydrophobicContact CE1-CG 4.08Å; F304-E605 HydrophobicContact CE2-CB 4.41Å; F304-E605 HydrophobicContact CG-CB 4.33Å; F304-E605 HydrophobicContact CZ-CB 3.82Å
305	E	92	Very high	90.3	Very high	156 Å²	156	60.1 Å²	60.1	73%	0.729	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-79.2	-17.6	175.1	-68.6	169.8	-137.6	0	0	113.3	N302 M303 Q307	N302-E305 HydrophobicContact CB-CB 4.18Å; N302-E305 HydrophobicContact CB-CG 4.03Å; N302-E305 WeakPolarHBondContact CB-OE1 3.18Å; N302-E305 PolarHBondContact ND2-OE1 2.82Å; N302-E305 PolarHBondContact O-N 2.96Å; M303-E305 VanDerWaalsContact C-N 3.28Å; M303-E305 PolarHBondContact O-N 3.33Å; E305-Q307 PolarHBondContact O-N 3.14Å
306	C	93.7	Very high	92.2	Very high	10 Å²	10	54 Å²	54	7%	0.068	26%	0.256	C	S	.	.	S	Bend	trans	-74.6	118.2	-176.6	-67.9	0	0	0	0	111.4	N302 M303 M308 R322 I324	N302-C306 PolarHBondContact O-N 2.75Å; N302-C306 PolarHBondContact O-SG 2.8Å; M303-C306 WeakPolarHBondContact O-CB 3.3Å; M303-C306 PolarHBondContact O-N 2.79Å; M303-C306 VanDerWaalsContact O-N 3.1Å; C306-M308 PolarHBondContact O-N 3.12Å; C306-R322 HydrophobicContact CB-CB 4.27Å; C306-R322 WeakPolarHBondContact O-CD 3.42Å; C306-R322 WeakPolarHBondContact O-CG 3.41Å; C306-R322 PolarHBondContact O-NH1 3.03Å; C306-I324 HydrophobicContact CB-CD1 3.83Å; C306-I324 HydrophobicContact CB-CG1 3.65Å; C306-I324 WeakPolarHBondContact SG-CG1 3.36Å
307	Q	93.4	Very high	93.4	Very high	103 Å²	103	48.9 Å²	48.9	48%	0.481	24%	0.237	S	C	.	.			trans	-46.4	111.8	-170	-177.3	-177.6	41.9	0	0	113.8	E305 S309 R322 R323	E305-Q307 PolarHBondContact O-N 3.14Å; Q307-S309 PolarHBondContact O-N 3.37Å; Q307-R322 CarbonylContact O-C 3.45Å; Q307-R322 WeakPolarHBondContact O-CA 3.1Å; Q307-R323 PolarHBondContact O-N 2.79Å
308	M	94.2	Very high	94	Very high	13 Å²	13	46.9 Å²	46.9	6%	0.064	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	119.5	166.7	175.8	152.6	51.3	0	0	109.2	C306 L311 I320 R322 W607 E608	C306-M308 PolarHBondContact O-N 3.12Å; M308-L311 HydrophobicContact SD-CB 3.93Å; M308-L311 HydrophobicContact SD-CD1 4.14Å; M308-L311 HydrophobicContact SD-CG 4.47Å; M308-I320 HydrophobicContact SD-CG1 4.16Å; M308-I320 HydrophobicContact SD-CG2 3.95Å; M308-R322 HydrophobicContact CB-CG 4.29Å; M308-W607 HydrophobicContact CE-CB 3.7Å; M308-W607 HydrophobicContact CE-CG 4.12Å; M308-E608 WeakPolarHBondContact CE-O 3.47Å
309	S	92	Very high	94.2	Very high	26 Å²	26	43.8 Å²	43.8	18%	0.182	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	-29.1	-172.5	70.9	0	0	0	0	112.7	Q307 C321	Q307-S309 PolarHBondContact O-N 3.37Å; S309-C321 PolarHBondContact N-O 3.47Å; S309-C321 PolarHBondContact OG-O 3.37Å
310	Q	92.5	Very high	94.3	Very high	94 Å²	94	42 Å²	42	44%	0.439	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	139.8	173.3	-178.3	178.9	0.7	0	0	109.2	C321	Q310-C321 HydrophobicContact CB-CB 4.28Å; Q310-C321 PolarHBondContact N-O 3.05Å; Q310-C321 PolarHBondContact O-N 3.48Å
311	L	96.3	Very high	94.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	126.8	169.2	176.5	65.3	0	0	0	108.7	M308 V313 A318 I320 W607 T609 Y611 M612 T613	M308-L311 HydrophobicContact SD-CB 3.93Å; M308-L311 HydrophobicContact SD-CD1 4.14Å; M308-L311 HydrophobicContact SD-CG 4.47Å; L311-V313 HydrophobicContact CD1-CG2 4.29Å; L311-V313 HydrophobicContact CD2-CG2 4.08Å; L311-V313 HydrophobicContact CG-CG2 3.95Å; L311-A318 HydrophobicContact CD1-CB 4.04Å; L311-I320 HydrophobicContact CD1-CG1 3.82Å; L311-W607 HydrophobicContact CD1-CD2 4.25Å; L311-W607 HydrophobicContact CD1-CE3 4.15Å; L311-W607 HydrophobicContact CD1-CH2 4.4Å; L311-W607 HydrophobicContact CD1-CZ3 4.23Å; L311-W607 HydrophobicContact CD2-CD2 4.09Å; L311-W607 HydrophobicContact CD2-CE3 3.53Å; L311-W607 HydrophobicContact CD2-CZ3 4.03Å; L311-W607 HydrophobicContact CG-CE3 4.46Å; L311-T609 HydrophobicContact CB-CG2 4.14Å; L311-T609 HydrophobicContact CD2-CG2 3.95Å; L311-Y611 PolarHBondContact N-O 2.98Å; L311-Y611 VanDerWaalsContact N-O 3.12Å; L311-M612 HydrophobicContact CD2-CE 3.97Å; L311-M612 HydrophobicContact CD2-CG 4.23Å; L311-M612 WeakPolarHBondContact O-CA 3.26Å; L311-T613 PolarHBondContact O-N 2.86Å
312	T	96	Very high	94.2	Very high	6 Å²	6	37.2 Å²	37.2	4%	0.037	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	110.3	171.4	-53.6	0	0	0	0	109.6	F314 A318 L319 T613	T312-F314 HydrophobicContact CG2-CE1 3.96Å; T312-F314 HydrophobicContact CG2-CE2 4.14Å; T312-F314 HydrophobicContact CG2-CZ 3.66Å; T312-F314 WeakPolarHBondContact O-CE2 3.38Å; T312-A318 CarbonylContact O-C 3.56Å; T312-A318 VanDerWaalsContact O-CA 3.3Å; T312-A318 WeakPolarHBondContact O-CA 3.26Å; T312-L319 PolarHBondContact N-O 2.9Å; T312-L319 PolarHBondContact O-N 2.94Å; T312-T613 CarbonylContact C-O 3.55Å; T312-T613 VanDerWaalsContact CA-O 3.31Å; T312-T613 WeakPolarHBondContact CA-O 3.46Å; T312-T613 HydrophobicContact CG2-CG2 4.31Å
313	V	96.8	Very high	94.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	127.8	179.4	-166.7	0	0	0	0	109	L311 A318 W576 V599 W607 M612 T613 L614 S615	L311-V313 HydrophobicContact CD1-CG2 4.29Å; L311-V313 HydrophobicContact CD2-CG2 4.08Å; L311-V313 HydrophobicContact CG-CG2 3.95Å; V313-A318 HydrophobicContact CB-CB 4.49Å; V313-A318 HydrophobicContact CG1-CB 4.42Å; V313-A318 HydrophobicContact CG2-CB 4.28Å; V313-W576 HydrophobicContact CG1-CB 4.23Å; V313-W576 VanDerWaalsContact O-CD1 3.31Å; V313-W576 PolarHBondContact O-NE1 2.88Å; V313-V599 HydrophobicContact CG1-CG1 4.35Å; V313-V599 HydrophobicContact CG2-CG1 4.33Å; V313-W607 HydrophobicContact CG2-CH2 4.4Å; V313-W607 HydrophobicContact CG2-CZ3 3.87Å; V313-M612 HydrophobicContact CG2-CE 3.63Å; V313-T613 PolarHBondContact N-O 3.01Å; V313-L614 HydrophobicContact CB-CD2 4.01Å; V313-L614 HydrophobicContact CG2-CD2 4.35Å; V313-L614 CarbonylContact O-C 3.52Å; V313-L614 WeakPolarHBondContact O-CA 3.36Å; V313-S615 PolarHBondContact O-N 3.07Å
314	F	95.1	Very high	94.3	Very high	11 Å²	11	39 Å²	39	5%	0.048	19%	0.188	C	C	.	.			trans	-101	178.9	173.5	-51.1	-87.9	0	0	0	109.6	T312 D316 R317 L319 G575 W576 S615 A617 P619	T312-F314 HydrophobicContact CG2-CE1 3.96Å; T312-F314 HydrophobicContact CG2-CE2 4.14Å; T312-F314 HydrophobicContact CG2-CZ 3.66Å; T312-F314 WeakPolarHBondContact O-CE2 3.38Å; F314-D316 PolarHBondContact O-N 2.87Å; F314-R317 WeakPolarHBondContact CA-O 3.38Å; F314-R317 HydrophobicContact CB-CG 4.19Å; F314-R317 WeakPolarHBondContact CB-O 3.41Å; F314-R317 HydrophobicContact CD2-CG 3.68Å; F314-R317 HydrophobicContact CG-CG 4.27Å; F314-R317 PolarHBondContact N-O 2.91Å; F314-L319 HydrophobicContact CE2-CB 3.69Å; F314-L319 HydrophobicContact CZ-CB 4.22Å; F314-G575 CarbonylContact O-C 3.59Å; F314-G575 VanDerWaalsContact O-CA 3.25Å; F314-G575 WeakPolarHBondContact O-CA 3.34Å; F314-W576 VanDerWaalsContact C-CD1 3.48Å; F314-W576 VanDerWaalsContact O-CD1 3.24Å; F314-W576 PolarHBondContact O-N 2.97Å; F314-S615 WeakPolarHBondContact CA-O 3.31Å; F314-S615 VanDerWaalsContact CD1-CB 3.49Å; F314-S615 VanDerWaalsContact CD1-OG 3.28Å; F314-S615 WeakPolarHBondContact CD1-OG 3.46Å; F314-S615 WeakPolarHBondContact CE1-OG 2.88Å; F314-A617 HydrophobicContact CD1-CB 4Å; F314-A617 WeakPolarHBondContact CD1-O 3.36Å; F314-A617 HydrophobicContact CE1-CB 3.95Å; F314-P619 HydrophobicContact CD1-CG 4.02Å; F314-P619 HydrophobicContact CE1-CG 3.65Å; F314-P619 HydrophobicContact CE2-CG 4.17Å; F314-P619 HydrophobicContact CG-CG 4.46Å; F314-P619 HydrophobicContact CZ-CG 3.73Å
315	L	93	Very high	94.5	Very high	80 Å²	80	41.4 Å²	41.4	42%	0.419	20%	0.195	S	C	.	.	S	Bend	trans	-64.5	-24	-179.5	-58.2	176.5	0	0	0	113.1	W576	L315-W576 HydrophobicContact CD2-CD2 4.45Å; L315-W576 HydrophobicContact CD2-CZ2 4.31Å; L315-W576 WeakPolarHBondContact CD2-O 3.13Å
316	D	91.2	Very high	94.5	Very high	39 Å²	39	34 Å²	34	21%	0.209	16%	0.16	C	C	.	.	S	Bend	trans	-129.2	-6.9	-168	62.9	-12.4	0	0	0	115.6	F314 C574 L697	F314-D316 PolarHBondContact O-N 2.87Å; D316-C574 CarbonylContact C-O 3.54Å; D316-L697 HydrophobicContact CB-CD1 4.19Å; D316-L697 HydrophobicContact CB-CD2 4.07Å
317	R	93.8	Very high	94.5	Very high	38 Å²	38	41.7 Å²	41.7	14%	0.143	19%	0.188	C	C	.	.			trans	-165.2	178.4	-174.1	78	-162.7	93.4	167.3	-0.5	111.2	F314 V570 V571 C574 P619	F314-R317 WeakPolarHBondContact CA-O 3.38Å; F314-R317 HydrophobicContact CB-CG 4.19Å; F314-R317 WeakPolarHBondContact CB-O 3.41Å; F314-R317 HydrophobicContact CD2-CG 3.68Å; F314-R317 HydrophobicContact CG-CG 4.27Å; F314-R317 PolarHBondContact N-O 2.91Å; R317-V570 HydrophobicContact CB-CG1 3.96Å; R317-V570 VanDerWaalsContact CD-CG1 3.47Å; R317-V570 HydrophobicContact CG-CG1 3.76Å; R317-V571 CarbonylContact C-O 3.58Å; R317-V571 WeakPolarHBondContact CA-O 3.36Å; R317-V571 WeakPolarHBondContact CB-O 3.38Å; R317-C574 VanDerWaalsContact C-SG 3.55Å; R317-C574 WeakPolarHBondContact CA-O 3.45Å; R317-C574 PolarHBondContact N-O 2.79Å; R317-P619 PolarHBondContact NH1-O 2.8Å
318	A	95.7	Very high	94.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	146.9	166.2	0	0	0	0	0	112.6	L311 T312 V313 V570 V571 C574 W607	L311-A318 HydrophobicContact CD1-CB 4.04Å; T312-A318 CarbonylContact O-C 3.56Å; T312-A318 VanDerWaalsContact O-CA 3.3Å; T312-A318 WeakPolarHBondContact O-CA 3.26Å; V313-A318 HydrophobicContact CB-CB 4.49Å; V313-A318 HydrophobicContact CG1-CB 4.42Å; V313-A318 HydrophobicContact CG2-CB 4.28Å; A318-V570 CarbonylContact O-C 3.59Å; A318-V570 VanDerWaalsContact O-CA 3.24Å; A318-V570 WeakPolarHBondContact O-CA 3.37Å; A318-V571 HydrophobicContact CB-CG2 4.05Å; A318-V571 PolarHBondContact N-O 3.23Å; A318-V571 PolarHBondContact O-N 3.39Å; A318-C574 PolarHBondContact N-SG 2.7Å; A318-C574 VanDerWaalsContact N-SG 3.35Å; A318-W607 HydrophobicContact CB-CH2 3.54Å; A318-W607 HydrophobicContact CB-CZ2 3.91Å; A318-W607 HydrophobicContact CB-CZ3 4.41Å
319	L	95.3	Very high	94.2	Very high	60 Å²	60	40.5 Å²	40.5	31%	0.314	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	118.1	166.2	171.5	66.9	0	0	0	108.6	T312 F314 V570	T312-L319 PolarHBondContact N-O 2.9Å; T312-L319 PolarHBondContact O-N 2.94Å; F314-L319 HydrophobicContact CE2-CB 3.69Å; F314-L319 HydrophobicContact CZ-CB 4.22Å; L319-V570 HydrophobicContact CB-CG2 4.49Å; L319-V570 HydrophobicContact CD1-CG2 4.21Å
320	I	96	Very high	93.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	141.4	174.1	-68.9	170.3	0	0	0	108.6	M308 L311 R322 S568 Y569 V571 E605	M308-I320 HydrophobicContact SD-CG1 4.16Å; M308-I320 HydrophobicContact SD-CG2 3.95Å; L311-I320 HydrophobicContact CD1-CG1 3.82Å; I320-R322 HydrophobicContact CG2-CG 3.85Å; I320-S568 WeakPolarHBondContact O-CA 3.5Å; I320-S568 WeakPolarHBondContact O-CB 3.31Å; I320-Y569 HydrophobicContact CB-CD2 4.31Å; I320-Y569 HydrophobicContact CB-CE2 3.93Å; I320-Y569 HydrophobicContact CD1-CE2 3.9Å; I320-Y569 HydrophobicContact CG1-CE2 4.48Å; I320-Y569 HydrophobicContact CG2-CE1 4.05Å; I320-Y569 HydrophobicContact CG2-CE2 4.07Å; I320-Y569 PolarHBondContact N-O 2.89Å; I320-Y569 PolarHBondContact O-N 2.65Å; I320-V571 HydrophobicContact CD1-CG1 4.07Å; I320-V571 HydrophobicContact CD1-CG2 3.66Å; I320-V571 HydrophobicContact CG1-CG2 4.28Å; I320-E605 VanDerWaalsContact CD1-OE1 3.31Å; I320-E605 WeakPolarHBondContact CD1-OE1 3.32Å
321	C	95.5	Very high	93	Very high	19 Å²	19	41.4 Å²	41.4	13%	0.128	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	105.7	169.2	-176.5	0	0	0	0	109.8	S309 Q310	S309-C321 PolarHBondContact N-O 3.47Å; S309-C321 PolarHBondContact OG-O 3.37Å; Q310-C321 HydrophobicContact CB-CB 4.28Å; Q310-C321 PolarHBondContact N-O 3.05Å; Q310-C321 PolarHBondContact O-N 3.48Å
322	R	95.8	Very high	92.4	Very high	9 Å²	9	45 Å²	45	3%	0.034	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	142.4	177.2	-70.4	179.8	176.6	-94.2	8.3	110.6	M303 F304 C306 Q307 M308 I320 V567 Y569 E605	M303-R322 WeakPolarHBondContact O-CD 3.34Å; M303-R322 VanDerWaalsContact O-CZ 3.28Å; M303-R322 PolarHBondContact O-NE 2.79Å; M303-R322 PolarHBondContact O-NH1 2.6Å; M303-R322 VanDerWaalsContact O-NH1 3.11Å; M303-R322 HydrophobicContact SD-CB 4.41Å; F304-R322 PolarHBondContact O-NH1 2.65Å; C306-R322 HydrophobicContact CB-CB 4.27Å; C306-R322 WeakPolarHBondContact O-CD 3.42Å; C306-R322 WeakPolarHBondContact O-CG 3.41Å; C306-R322 PolarHBondContact O-NH1 3.03Å; Q307-R322 CarbonylContact O-C 3.45Å; Q307-R322 WeakPolarHBondContact O-CA 3.1Å; M308-R322 HydrophobicContact CB-CG 4.29Å; I320-R322 HydrophobicContact CG2-CG 3.85Å; R322-V567 PolarHBondContact N-O 2.73Å; R322-V567 PolarHBondContact O-N 2.8Å; R322-Y569 WeakPolarHBondContact CD-OH 3.32Å; R322-Y569 PolarHBondContact NE-OH 3.28Å; R322-Y569 VanDerWaalsContact NE-OH 3.14Å; R322-E605 IonicContact CZ-OE2 3.5Å; R322-E605 IonicContact NE-OE2 2.7Å; R322-E605 IonicContact NH2-OE2 3.44Å; R322-E605 PolarHBondContact NH2-OE2 3.31Å
323	R	94.6	Very high	92.1	Very high	71 Å²	71	47.6 Å²	47.6	27%	0.268	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	128.5	-178.3	174.7	174.4	57.3	-149.5	-7.6	110.7	Q307 E564 M565 L566	Q307-R323 PolarHBondContact O-N 2.79Å; R323-E564 WeakPolarHBondContact CD-OE1 3.42Å; R323-E564 HydrophobicContact CG-CG 4.33Å; R323-M565 WeakPolarHBondContact CA-O 3.29Å; R323-L566 HydrophobicContact CB-CD2 3.73Å; R323-L566 HydrophobicContact CG-CD2 3.84Å
324	I	95.2	Very high	92	Very high	11 Å²	11	47.6 Å²	47.6	6%	0.056	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	155.4	174.4	-54.2	93.8	0	0	0	108.5	Y301 C306 P326 F338 M565 V567	Y301-I324 HydrophobicContact CD1-CG2 4.11Å; Y301-I324 HydrophobicContact CE1-CG2 3.88Å; Y301-I324 HydrophobicContact CE2-CG2 4.39Å; Y301-I324 HydrophobicContact CG-CG2 4.48Å; C306-I324 HydrophobicContact CB-CD1 3.83Å; C306-I324 HydrophobicContact CB-CG1 3.65Å; C306-I324 WeakPolarHBondContact SG-CG1 3.36Å; I324-P326 HydrophobicContact CG2-CG 3.91Å; I324-F338 HydrophobicContact CD1-CD1 4.5Å; I324-F338 HydrophobicContact CD1-CE1 3.54Å; I324-F338 HydrophobicContact CD1-CZ 3.84Å; I324-F338 HydrophobicContact CG1-CE1 3.81Å; I324-F338 HydrophobicContact CG1-CZ 4.31Å; I324-M565 PolarHBondContact N-O 3.28Å; I324-M565 PolarHBondContact O-N 3.03Å; I324-M565 VanDerWaalsContact O-O 3.12Å; I324-V567 HydrophobicContact CD1-CG2 4.17Å
325	R	95.7	Very high	92	Very high	124 Å²	124	49.2 Å²	49.2	47%	0.468	24%	0.244	S	C	.	.			trans	-126.1	76	168.6	-62.2	-167.5	-177.2	114.5	-1.4	110.8	V563 E564	R325-V563 CarbonylContact C-O 3.57Å; R325-V563 VanDerWaalsContact CA-O 3.24Å; R325-V563 WeakPolarHBondContact CA-O 3.4Å; R325-E564 IonicContact CZ-OE1 3.25Å; R325-E564 VanDerWaalsContact CZ-OE1 3.25Å; R325-E564 IonicContact NE-OE1 2.97Å; R325-E564 PolarHBondContact NE-OE1 3.41Å; R325-E564 IonicContact NH2-OE1 2.68Å; R325-E564 PolarHBondContact NH2-OE1 3.46Å
326	P	93.7	Very high	92.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.224	C	C	.	.			trans	-60.8	153	177.8	-16.1	30.5	0	0	0	110.4	Y301 I324 F328 Q562 V563 M565	Y301-P326 HydrophobicContact CE2-CB 4.45Å; Y301-P326 HydrophobicContact CE2-CG 4.49Å; Y301-P326 WeakPolarHBondContact OH-CA 3.45Å; I324-P326 HydrophobicContact CG2-CG 3.91Å; P326-F328 HydrophobicContact CB-CD2 4.47Å; P326-F328 HydrophobicContact CB-CE1 4.27Å; P326-F328 HydrophobicContact CB-CE2 3.8Å; P326-F328 HydrophobicContact CB-CZ 3.68Å; P326-F328 HydrophobicContact CG-CE2 4.31Å; P326-F328 HydrophobicContact CG-CZ 4.16Å; P326-Q562 WeakPolarHBondContact O-CA 3.33Å; P326-V563 VanDerWaalsContact CD-O 3.29Å; P326-V563 WeakPolarHBondContact CD-O 3.3Å; P326-V563 PolarHBondContact O-N 2.93Å; P326-V563 VanDerWaalsContact O-N 3.1Å; P326-M565 HydrophobicContact CG-CB 4.39Å; P326-M565 HydrophobicContact CG-CE 4.46Å
327	R	93.6	Very high	92.4	Very high	172 Å²	172	43.7 Å²	43.7	65%	0.649	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-113.3	118.5	175.8	-168.7	179.9	-175.9	170.8	1.7	109	Q299 G561 Q562	Q299-R327 PolarHBondContact NE2-O 3.23Å; R327-G561 CarbonylContact C-O 3.59Å; R327-G561 WeakPolarHBondContact CA-O 3.42Å; R327-G561 WeakPolarHBondContact CG-O 3.41Å; R327-Q562 HydrophobicContact CB-CG 4.16Å; R327-Q562 HydrophobicContact CG-CG 4.2Å
328	F	92.4	Very high	92.5	Very high	1 Å²	1	41.9 Å²	41.9	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	156	-175.2	-62.3	-71	0	0	0	111.8	P326 T334 V336 V555 P557 T560 G561 V563	P326-F328 HydrophobicContact CB-CD2 4.47Å; P326-F328 HydrophobicContact CB-CE1 4.27Å; P326-F328 HydrophobicContact CB-CE2 3.8Å; P326-F328 HydrophobicContact CB-CZ 3.68Å; P326-F328 HydrophobicContact CG-CE2 4.31Å; P326-F328 HydrophobicContact CG-CZ 4.16Å; F328-T334 HydrophobicContact CD1-CG2 3.74Å; F328-T334 HydrophobicContact CE1-CG2 3.61Å; F328-V336 HydrophobicContact CE1-CG2 3.68Å; F328-V336 HydrophobicContact CZ-CG2 3.76Å; F328-V555 HydrophobicContact CE1-CB 4.04Å; F328-V555 HydrophobicContact CE1-CG1 4.08Å; F328-V555 HydrophobicContact CE1-CG2 4.43Å; F328-V555 HydrophobicContact CE2-CG1 4.07Å; F328-V555 HydrophobicContact CZ-CB 3.97Å; F328-V555 HydrophobicContact CZ-CG1 3.73Å; F328-V555 HydrophobicContact CZ-CG2 4.04Å; F328-P557 HydrophobicContact CB-CB 3.52Å; F328-P557 HydrophobicContact CB-CG 3.54Å; F328-P557 HydrophobicContact CD1-CG 3.83Å; F328-P557 HydrophobicContact CG-CB 4.03Å; F328-P557 HydrophobicContact CG-CG 3.77Å; F328-T560 CarbonylContact O-C 3.59Å; F328-T560 WeakPolarHBondContact O-CA 3.13Å; F328-G561 PolarHBondContact N-O 2.9Å; F328-G561 PolarHBondContact O-N 3.48Å; F328-V563 HydrophobicContact CD2-CB 3.96Å; F328-V563 HydrophobicContact CD2-CG2 3.77Å; F328-V563 HydrophobicContact CE2-CB 3.86Å; F328-V563 HydrophobicContact CE2-CG1 4.33Å; F328-V563 HydrophobicContact CE2-CG2 4.13Å
329	N	89.2	Confident	92.4	Very high	89 Å²	89	44.5 Å²	44.5	48%	0.476	22%	0.22	S	C	.	.			trans	-94	145	161	-63.4	-23.5	0	0	0	108.7	D332 P557	N329-D332 HydrophobicContact CB-CB 4.39Å; N329-D332 WeakPolarHBondContact CB-OD2 3.28Å; N329-D332 PolarHBondContact ND2-OD2 2.88Å; N329-P557 WeakPolarHBondContact O-CB 3.36Å; N329-P557 WeakPolarHBondContact O-CG 3.34Å
330	A	83.2	Confident	92.2	Very high	32 Å²	32	46.9 Å²	46.9	26%	0.264	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	145.5	171.3	0	0	0	0	0	111.5	D332 T560	A330-D332 PolarHBondContact O-N 3.06Å; A330-T560 PolarHBondContact N-OG1 2.95Å
331	S	75.8	Confident	92.1	Very high	108 Å²	108	47.2 Å²	47.2	76%	0.755	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.9	-18.3	175.1	-47.6	0	0	0	0	116.9	I333 P557	S331-I333 PolarHBondContact O-N 3.44Å; S331-P557 PolarHBondContact N-O 2.79Å
332	D	82.5	Confident	92	Very high	75 Å²	75	46.3 Å²	46.3	40%	0.401	23%	0.225	S	C	.	.			trans	-81.9	104.2	176	-65.9	-26.7	0	0	0	110.4	N329 A330 T334 P557	N329-D332 HydrophobicContact CB-CB 4.39Å; N329-D332 WeakPolarHBondContact CB-OD2 3.28Å; N329-D332 PolarHBondContact ND2-OD2 2.88Å; A330-D332 PolarHBondContact O-N 3.06Å; D332-T334 PolarHBondContact O-N 3.1Å; D332-T334 PolarHBondContact O-OG1 3.31Å; D332-P557 WeakPolarHBondContact O-CD 3.32Å; D332-P557 WeakPolarHBondContact O-CG 3.41Å
333	I	91.1	Very high	91.7	Very high	60 Å²	60	46.8 Å²	46.8	31%	0.308	23%	0.229	S	C	.	.			trans	-58	117.3	171.4	-63.3	175.8	0	0	0	108.3	S331 L361 L554 V555 E556	S331-I333 PolarHBondContact O-N 3.44Å; I333-L361 HydrophobicContact CD1-CD1 4.02Å; I333-L361 HydrophobicContact CG1-CD1 4.35Å; I333-L361 HydrophobicContact CG2-CD1 4.07Å; I333-L554 HydrophobicContact CG2-CD1 3.63Å; I333-L554 HydrophobicContact CG2-CD2 4.28Å; I333-L554 HydrophobicContact CG2-CG 3.81Å; I333-V555 WeakPolarHBondContact CA-O 3.3Å; I333-E556 HydrophobicContact CG1-CG 4.48Å
334	T	93.6	Very high	91.6	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126.9	-170.9	-57.8	0	0	0	0	109.7	S297 Q299 F328 D332 V336 V555	S297-T334 CarbonylContact O-C 3.58Å; S297-T334 VanDerWaalsContact O-CA 3.22Å; S297-T334 WeakPolarHBondContact O-CA 3.35Å; S297-T334 WeakPolarHBondContact O-CG2 3.26Å; Q299-T334 HydrophobicContact CG-CG2 3.92Å; F328-T334 HydrophobicContact CD1-CG2 3.74Å; F328-T334 HydrophobicContact CE1-CG2 3.61Å; D332-T334 PolarHBondContact O-N 3.1Å; D332-T334 PolarHBondContact O-OG1 3.31Å; T334-V336 HydrophobicContact CG2-CG2 4.35Å; T334-V555 PolarHBondContact N-O 2.66Å; T334-V555 PolarHBondContact O-N 3.24Å
335	E	95.2	Very high	91.5	Very high	45 Å²	45	44 Å²	44	21%	0.21	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	119.5	167.5	-168.8	-173.9	-131.2	0	0	109.2	S297 R298 Q299 V337 S552 L554	S297-E335 PolarHBondContact O-N 2.87Å; R298-E335 CarbonylContact C-O 3.59Å; R298-E335 WeakPolarHBondContact CA-O 3.44Å; R298-E335 WeakPolarHBondContact CD-OE2 3.27Å; R298-E335 HydrophobicContact CG-CB 4.4Å; R298-E335 WeakPolarHBondContact CG-OE2 3.49Å; R298-E335 IonicContact NE-OE2 2.65Å; R298-E335 PolarHBondContact NE-OE2 2.85Å; Q299-E335 PolarHBondContact N-O 3.49Å; E335-V337 VanDerWaalsContact CD-CG2 3.45Å; E335-V337 HydrophobicContact CG-CG2 3.64Å; E335-V337 WeakPolarHBondContact OE2-CG2 3.25Å; E335-S552 VanDerWaalsContact CD-OG 3.24Å; E335-S552 WeakPolarHBondContact CG-OG 3.42Å; E335-S552 PolarHBondContact OE1-OG 3.15Å; E335-L554 HydrophobicContact CB-CD1 4.34Å
336	V	95.7	Very high	91.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	108.2	171	-177.4	0	0	0	0	108	Q299 Y301 F328 T334 F338 V553 V555 M565	Q299-V336 CarbonylContact O-C 3.58Å; Q299-V336 WeakPolarHBondContact O-CA 3.33Å; Y301-V336 HydrophobicContact CD2-CG1 3.8Å; Y301-V336 HydrophobicContact CE2-CG1 3.89Å; F328-V336 HydrophobicContact CE1-CG2 3.68Å; F328-V336 HydrophobicContact CZ-CG2 3.76Å; T334-V336 HydrophobicContact CG2-CG2 4.35Å; V336-F338 HydrophobicContact CG1-CE1 4.4Å; V336-F338 HydrophobicContact CG1-CE2 3.77Å; V336-F338 HydrophobicContact CG1-CZ 3.65Å; V336-V553 HydrophobicContact CB-CB 4.43Å; V336-V553 PolarHBondContact N-O 3.04Å; V336-V553 PolarHBondContact O-N 3.34Å; V336-V555 HydrophobicContact CG2-CG2 4.2Å; V336-M565 HydrophobicContact CB-CE 4.36Å; V336-M565 HydrophobicContact CG1-CE 4.37Å; V336-M565 HydrophobicContact CG1-SD 4.42Å; V336-M565 HydrophobicContact CG2-CE 4.32Å
337	V	96.5	Very high	91	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.018	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	131	179.2	-173.6	0	0	0	0	110.2	R298 Q299 V300 Y301 E335 E339 E550 L551	R298-V337 HydrophobicContact CG-CG2 4.37Å; Q299-V337 PolarHBondContact O-N 3.37Å; V300-V337 CarbonylContact C-O 3.32Å; V300-V337 WeakPolarHBondContact CA-O 3.37Å; Y301-V337 PolarHBondContact N-O 3.28Å; E335-V337 VanDerWaalsContact CD-CG2 3.45Å; E335-V337 HydrophobicContact CG-CG2 3.64Å; E335-V337 WeakPolarHBondContact OE2-CG2 3.25Å; V337-E339 HydrophobicContact CG1-CG 4.24Å; V337-E550 HydrophobicContact CG1-CB 4.38Å; V337-L551 CarbonylContact C-O 3.6Å; V337-L551 WeakPolarHBondContact CA-O 3.27Å
338	F	96.9	Very high	90.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	126.1	167.4	-57.5	-82.3	0	0	0	109.6	Y301 M303 I324 V336 L341 E550 L551 V553 M565 V567	Y301-F338 HydrophobicContact CD2-CE1 4.15Å; Y301-F338 HydrophobicContact CG-CD1 4.5Å; Y301-F338 HydrophobicContact CG-CE1 4.13Å; Y301-F338 VanDerWaalsContact O-CA 3.3Å; Y301-F338 WeakPolarHBondContact O-CA 3.36Å; M303-F338 HydrophobicContact CB-CB 4.49Å; M303-F338 HydrophobicContact CE-CB 3.55Å; M303-F338 HydrophobicContact CE-CD1 3.96Å; M303-F338 HydrophobicContact CE-CD2 4.18Å; M303-F338 HydrophobicContact CE-CG 3.61Å; M303-F338 HydrophobicContact SD-CD1 4.21Å; M303-F338 HydrophobicContact SD-CG 4.45Å; I324-F338 HydrophobicContact CD1-CD1 4.5Å; I324-F338 HydrophobicContact CD1-CE1 3.54Å; I324-F338 HydrophobicContact CD1-CZ 3.84Å; I324-F338 HydrophobicContact CG1-CE1 3.81Å; I324-F338 HydrophobicContact CG1-CZ 4.31Å; V336-F338 HydrophobicContact CG1-CE1 4.4Å; V336-F338 HydrophobicContact CG1-CE2 3.77Å; V336-F338 HydrophobicContact CG1-CZ 3.65Å; F338-L341 HydrophobicContact CB-CD1 4.37Å; F338-L341 VanDerWaalsContact O-CD1 3.28Å; F338-L341 WeakPolarHBondContact O-CD1 3.46Å; F338-E550 WeakPolarHBondContact O-CA 3.01Å; F338-L551 HydrophobicContact CB-CB 4.29Å; F338-L551 HydrophobicContact CD2-CB 4.47Å; F338-L551 HydrophobicContact CD2-CD2 4.11Å; F338-L551 HydrophobicContact CD2-CG 4.24Å; F338-L551 PolarHBondContact N-O 3.12Å; F338-L551 PolarHBondContact O-N 3.26Å; F338-V553 HydrophobicContact CE2-CG2 4.14Å; F338-M565 HydrophobicContact CE2-SD 3.9Å; F338-M565 HydrophobicContact CZ-SD 3.66Å; F338-V567 HydrophobicContact CE2-CG2 3.98Å; F338-V567 HydrophobicContact CZ-CG2 4.06Å
339	E	94.1	Very high	90.8	Very high	55 Å²	55	44.3 Å²	44.3	26%	0.257	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	160.8	175.7	-67.4	171.6	-170.6	0	0	109.1	R298 V300 Y301 M303 V337 E550	R298-E339 IonicContact NH1-OE1 3.42Å; R298-E339 IonicContact NH2-OE1 2.96Å; V300-E339 HydrophobicContact CG1-CG 3.99Å; V300-E339 VanDerWaalsContact CG1-OE1 3.27Å; V300-E339 WeakPolarHBondContact CG1-OE1 3.32Å; V300-E339 WeakPolarHBondContact CG1-OE2 3.39Å; Y301-E339 PolarHBondContact O-N 3.17Å; M303-E339 PolarHBondContact N-O 3.41Å; V337-E339 HydrophobicContact CG1-CG 4.24Å; E339-E550 HydrophobicContact CG-CG 4.39Å
340	H	90.3	Very high	90.9	Very high	110 Å²	110	40.8 Å²	40.8	51%	0.509	22%	0.221	S	C	.	.			trans	57.7	57.2	-175.6	-44.3	98.3	0	0	0	113.4	F304	F304-H340 WeakPolarHBondContact CD1-O 3.28Å; F304-H340 HydrophobicContact CD2-CB 4.15Å; F304-H340 WeakPolarHBondContact CE1-O 3.34Å; F304-H340 HydrophobicContact CE2-CB 4.04Å; F304-H340 HydrophobicContact CZ-CB 4.44Å; F304-H340 VanDerWaalsContact CZ-O 3.25Å; F304-H340 WeakPolarHBondContact CZ-O 3.42Å
341	L	94	Very high	91.5	Very high	6 Å²	6	46.2 Å²	46.2	3%	0.031	23%	0.234	C	C	.	.			trans	-78.1	147.3	166.8	-66	93.3	0	0	0	110.7	M303 F338 I345 R549 L551	M303-L341 HydrophobicContact CB-CG 4.32Å; M303-L341 HydrophobicContact CE-CD2 3.86Å; M303-L341 HydrophobicContact CE-CG 4.12Å; M303-L341 HydrophobicContact CG-CG 4.35Å; F338-L341 HydrophobicContact CB-CD1 4.37Å; F338-L341 VanDerWaalsContact O-CD1 3.28Å; F338-L341 WeakPolarHBondContact O-CD1 3.46Å; L341-I345 HydrophobicContact CB-CD1 4.34Å; L341-I345 HydrophobicContact CD2-CD1 3.65Å; L341-R549 HydrophobicContact CB-CB 4.02Å; L341-R549 HydrophobicContact CD1-CB 4.42Å; L341-R549 WeakPolarHBondContact CD1-O 3.29Å; L341-L551 HydrophobicContact CD1-CB 4Å; L341-L551 HydrophobicContact CD2-CB 3.85Å; L341-L551 HydrophobicContact CD2-CD2 4.3Å
342	S	93	Very high	92.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.205	C	C	.	.			trans	-48.4	134.7	177.9	159.9	0	0	0	0	112.3	A344 I345 V571 T603 E605	S342-A344 PolarHBondContact O-N 2.81Å; S342-A344 PolarHBondContact OG-N 3.46Å; S342-A344 VanDerWaalsContact OG-N 3.11Å; S342-I345 VanDerWaalsContact O-CB 3.32Å; S342-I345 WeakPolarHBondContact O-CB 3.46Å; S342-I345 WeakPolarHBondContact O-CG2 3.37Å; S342-I345 PolarHBondContact O-N 3.2Å; S342-V571 WeakPolarHBondContact OG-CG1 3.32Å; S342-T603 WeakPolarHBondContact CB-O 3.29Å; S342-T603 PolarHBondContact OG-O 3.17Å; S342-E605 VanDerWaalsContact CB-OE1 3.32Å; S342-E605 WeakPolarHBondContact CB-OE1 3.45Å
343	P	90.2	Very high	93	Very high	19 Å²	19	43.3 Å²	43.3	12%	0.123	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-29	173.3	22.3	-33.3	0	0	0	113.5	I345 E545 R549 T603	P343-I345 PolarHBondContact O-N 3.02Å; P343-E545 HydrophobicContact CB-CG 4.49Å; P343-R549 VanDerWaalsContact CA-CZ 3.41Å; P343-R549 PolarHBondContact O-NH2 3.08Å; P343-T603 VanDerWaalsContact CD-O 3.26Å; P343-T603 WeakPolarHBondContact CD-O 3.15Å
344	A	91.2	Very high	93	Very high	5 Å²	5	42.1 Å²	42.1	4%	0.041	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	1.9	179.3	0	0	0	0	0	115.1	S342 V571 N572 R573 T603	S342-A344 PolarHBondContact O-N 2.81Å; S342-A344 PolarHBondContact OG-N 3.46Å; S342-A344 VanDerWaalsContact OG-N 3.11Å; A344-V571 HydrophobicContact CB-CB 4.2Å; A344-V571 WeakPolarHBondContact O-CA 3.23Å; A344-N572 WeakPolarHBondContact CB-O 3.31Å; A344-N572 PolarHBondContact O-N 3.26Å; A344-N572 PolarHBondContact O-ND2 3.24Å; A344-R573 HydrophobicContact CB-CB 4Å; A344-R573 HydrophobicContact CB-CG 3.75Å; A344-T603 HydrophobicContact CB-CG2 4.28Å
345	I	92.9	Very high	92.9	Very high	18 Å²	18	48.9 Å²	48.9	9%	0.092	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-65.1	131.2	-172.4	-164.8	169.5	0	0	0	113.7	L341 S342 P343 K347 I350 F365 Y569 V571	L341-I345 HydrophobicContact CB-CD1 4.34Å; L341-I345 HydrophobicContact CD2-CD1 3.65Å; S342-I345 VanDerWaalsContact O-CB 3.32Å; S342-I345 WeakPolarHBondContact O-CB 3.46Å; S342-I345 WeakPolarHBondContact O-CG2 3.37Å; S342-I345 PolarHBondContact O-N 3.2Å; P343-I345 PolarHBondContact O-N 3.02Å; I345-K347 PolarHBondContact O-N 3.35Å; I345-I350 HydrophobicContact CD1-CD1 3.96Å; I345-I350 HydrophobicContact CD1-CG1 4.06Å; I345-F365 HydrophobicContact CG2-CE2 4.13Å; I345-F365 HydrophobicContact CG2-CZ 4.18Å; I345-Y569 HydrophobicContact CD1-CD1 4.38Å; I345-Y569 HydrophobicContact CD1-CD2 3.63Å; I345-Y569 HydrophobicContact CD1-CE2 4.25Å; I345-Y569 HydrophobicContact CD1-CG 3.7Å; I345-Y569 HydrophobicContact CG1-CD2 3.82Å; I345-Y569 HydrophobicContact CG1-CG 4.18Å; I345-V571 HydrophobicContact CB-CG1 4.5Å
346	D	91	Very high	92.6	Very high	58 Å²	58	48.9 Å²	48.9	31%	0.31	24%	0.239	S	C	.	.			trans	-80.6	105.4	163.8	174	6.8	0	0	0	109.3	D348 S349 V570	D346-D348 PolarHBondContact O-N 3.49Å; D346-D348 PolarHBondContact OD1-N 3.11Å; D346-S349 WeakPolarHBondContact O-CB 3.24Å; D346-S349 PolarHBondContact O-N 2.97Å; D346-S349 VanDerWaalsContact O-N 3.12Å; D346-S349 PolarHBondContact O-OG 3.45Å; D346-S349 PolarHBondContact OD1-N 2.81Å; D346-V570 HydrophobicContact CB-CB 4.31Å; D346-V570 PolarHBondContact N-O 3.44Å
347	K	88.8	Confident	92.2	Very high	119 Å²	119	49.9 Å²	49.9	52%	0.517	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-54.3	-35.5	177.7	75.2	-174.4	-173.7	178.1	0	113.1	I345 S349 I350 F365	I345-K347 PolarHBondContact O-N 3.35Å; K347-S349 PolarHBondContact O-N 3.12Å; K347-I350 WeakPolarHBondContact O-CG1 3.36Å; K347-I350 PolarHBondContact O-N 3.21Å; K347-F365 HydrophobicContact CB-CD1 3.74Å; K347-F365 HydrophobicContact CB-CE1 3.85Å; K347-F365 HydrophobicContact CB-CG 4.25Å; K347-F365 HydrophobicContact CB-CZ 4.44Å
348	D	89	Confident	92	Very high	110 Å²	110	50.1 Å²	50.1	59%	0.588	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-82.4	-9.8	-172.6	-63.4	-42.9	0	0	0	110.9	D346 R351	D346-D348 PolarHBondContact O-N 3.49Å; D346-D348 PolarHBondContact OD1-N 3.11Å; D348-R351 VanDerWaalsContact O-CZ 3.29Å; D348-R351 PolarHBondContact O-NH1 3.24Å; D348-R351 PolarHBondContact O-NH2 2.8Å
349	S	91.8	Very high	91.8	Very high	17 Å²	17	52.5 Å²	52.5	12%	0.119	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-84.5	-17.5	172.3	79.2	0	0	0	0	114.9	D346 K347 R351 V570	D346-S349 WeakPolarHBondContact O-CB 3.24Å; D346-S349 PolarHBondContact O-N 2.97Å; D346-S349 VanDerWaalsContact O-N 3.12Å; D346-S349 PolarHBondContact O-OG 3.45Å; D346-S349 PolarHBondContact OD1-N 2.81Å; K347-S349 PolarHBondContact O-N 3.12Å; S349-R351 VanDerWaalsContact C-NH1 3.28Å; S349-R351 PolarHBondContact O-N 2.81Å; S349-R351 PolarHBondContact O-NH1 2.91Å; S349-V570 PolarHBondContact OG-N 3.45Å
350	I	93	Very high	91.8	Very high	16 Å²	16	52.6 Å²	52.6	8%	0.082	27%	0.266	C	S	.	.			trans	-62.4	124.6	-170.7	-61.2	172.5	0	0	0	111.1	I345 K347 F365 L551 S568	I345-I350 HydrophobicContact CD1-CD1 3.96Å; I345-I350 HydrophobicContact CD1-CG1 4.06Å; K347-I350 WeakPolarHBondContact O-CG1 3.36Å; K347-I350 PolarHBondContact O-N 3.21Å; I350-F365 HydrophobicContact CD1-CB 4.1Å; I350-F365 HydrophobicContact CD1-CD2 3.62Å; I350-F365 HydrophobicContact CD1-CE2 4.31Å; I350-F365 HydrophobicContact CD1-CG 4.03Å; I350-L551 HydrophobicContact CG2-CD1 4Å; I350-L551 HydrophobicContact CG2-CD2 3.92Å; I350-S568 CarbonylContact C-O 3.59Å; I350-S568 WeakPolarHBondContact CA-O 3.39Å
351	R	94.2	Very high	91.9	Very high	145 Å²	145	51.2 Å²	51.2	55%	0.547	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	145.3	172.2	-51.6	-62.5	170.3	-102.5	-5.1	109.9	D348 S349 S568	D348-R351 VanDerWaalsContact O-CZ 3.29Å; D348-R351 PolarHBondContact O-NH1 3.24Å; D348-R351 PolarHBondContact O-NH2 2.8Å; S349-R351 VanDerWaalsContact C-NH1 3.28Å; S349-R351 PolarHBondContact O-N 2.81Å; S349-R351 PolarHBondContact O-NH1 2.91Å; R351-S568 PolarHBondContact N-O 2.93Å; R351-S568 PolarHBondContact O-N 2.96Å
352	V	95.4	Very high	91.9	Very high	23 Å²	23	54.8 Å²	54.8	14%	0.139	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	121.7	176.7	-175.2	0	0	0	0	109.2	I360 V363 V553 M565 L566 V567	V352-I360 HydrophobicContact CB-CD1 4.21Å; V352-I360 HydrophobicContact CG1-CD1 3.94Å; V352-I360 VanDerWaalsContact O-CD1 3.32Å; V352-I360 WeakPolarHBondContact O-CD1 3.43Å; V352-V363 HydrophobicContact CB-CG2 4.31Å; V352-V363 HydrophobicContact CG2-CG1 3.9Å; V352-V363 HydrophobicContact CG2-CG2 4.25Å; V352-V553 HydrophobicContact CG1-CG1 4.14Å; V352-V553 HydrophobicContact CG1-CG2 4.34Å; V352-V553 HydrophobicContact CG2-CG2 3.99Å; V352-M565 HydrophobicContact CG1-CG 3.94Å; V352-M565 HydrophobicContact CG1-SD 4.22Å; V352-L566 CarbonylContact C-O 3.58Å; V352-L566 WeakPolarHBondContact CA-O 3.16Å; V352-V567 HydrophobicContact CG1-CG2 4.38Å; V352-V567 HydrophobicContact CG2-CG1 4.35Å; V352-V567 HydrophobicContact CG2-CG2 4.36Å
353	E	94.5	Very high	91.9	Very high	99 Å²	99	57.5 Å²	57.5	46%	0.463	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	142.6	168.7	-68.7	-172.9	-164.1	0	0	110.2	R355 M565 L566	E353-R355 IonicContact OE2-CZ 3.25Å; E353-R355 IonicContact OE2-NE 2.73Å; E353-R355 PolarHBondContact OE2-NE 2.96Å; E353-R355 IonicContact OE2-NH2 2.99Å; E353-R355 PolarHBondContact OE2-NH2 3.17Å; E353-M565 WeakPolarHBondContact O-CA 3.2Å; E353-L566 HydrophobicContact CB-CB 4.28Å; E353-L566 PolarHBondContact N-O 2.86Å; E353-L566 PolarHBondContact O-N 2.68Å
354	I	92.4	Very high	92.1	Very high	35 Å²	35	59 Å²	59	18%	0.179	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	135.7	169.3	-85.6	-173.9	0	0	0	109.9	A358 I360 V555 V563 M565	I354-A358 HydrophobicContact CG2-CB 4.12Å; I354-I360 HydrophobicContact CB-CD1 4.22Å; I354-I360 HydrophobicContact CB-CG1 4.16Å; I354-I360 HydrophobicContact CD1-CD1 4.32Å; I354-I360 HydrophobicContact CD1-CG1 3.63Å; I354-I360 HydrophobicContact CG1-CD1 4.08Å; I354-I360 HydrophobicContact CG1-CG1 3.92Å; I354-V555 HydrophobicContact CD1-CB 4.47Å; I354-V555 HydrophobicContact CD1-CG1 3.79Å; I354-V555 HydrophobicContact CD1-CG2 3.78Å; I354-V563 HydrophobicContact CG1-CG1 4.43Å; I354-V563 HydrophobicContact CG2-CG1 3.66Å; I354-M565 HydrophobicContact CD1-CE 3.81Å; I354-M565 HydrophobicContact CG1-CB 4.42Å; I354-M565 HydrophobicContact CG1-CE 4.09Å; I354-M565 HydrophobicContact CG1-CG 4.27Å
355	R	90.8	Very high	92.2	Very high	144 Å²	144	61.6 Å²	61.6	54%	0.543	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	101.8	174.1	-63.1	-177.1	-175	-167.9	1.7	109.6	E353 E564	E353-R355 IonicContact OE2-CZ 3.25Å; E353-R355 IonicContact OE2-NE 2.73Å; E353-R355 PolarHBondContact OE2-NE 2.96Å; E353-R355 IonicContact OE2-NH2 2.99Å; E353-R355 PolarHBondContact OE2-NH2 3.17Å; R355-E564 HydrophobicContact CB-CB 4.31Å; R355-E564 PolarHBondContact N-O 3.24Å; R355-E564 PolarHBondContact O-N 3.09Å
356	G	88.1	Confident	92.2	Very high	45 Å²	45	62.7 Å²	62.7	46%	0.464	33%	0.328	S	S	.	.	S	Bend	trans	161.1	-169.2	-180	0	0	0	0	0	111.8	A358	G356-A358 PolarHBondContact O-N 3.09Å
357	A	89.1	Confident	92.1	Very high	20 Å²	20	62.3 Å²	62.3	17%	0.165	33%	0.333	C	S	.	.	S	Bend	trans	-82.4	59.7	175.6	0	0	0	0	0	111.6	R558 E559	A357-R558 HydrophobicContact CB-CB 4.4Å; A357-R558 WeakPolarHBondContact O-CA 3.36Å; A357-R558 WeakPolarHBondContact O-CB 3.13Å; A357-R558 PolarHBondContact O-N 3.06Å; A357-E559 HydrophobicContact CB-CB 3.83Å; A357-E559 VanDerWaalsContact CB-CD 3.44Å; A357-E559 HydrophobicContact CB-CG 3.69Å; A357-E559 WeakPolarHBondContact CB-OE1 3.3Å; A357-E559 PolarHBondContact O-N 2.79Å
358	A	90.8	Very high	91.9	Very high	8 Å²	8	61.9 Å²	61.9	7%	0.066	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	162.9	177.9	0	0	0	0	0	111.6	I354 G356 V555 E556 R558 V563	I354-A358 HydrophobicContact CG2-CB 4.12Å; G356-A358 PolarHBondContact O-N 3.09Å; A358-V555 HydrophobicContact CB-CG1 3.84Å; A358-E556 CarbonylContact C-O 3.58Å; A358-E556 VanDerWaalsContact CA-O 3.26Å; A358-E556 WeakPolarHBondContact CA-O 3.3Å; A358-R558 PolarHBondContact O-NH1 2.78Å; A358-V563 HydrophobicContact CB-CG1 4.4Å; A358-V563 HydrophobicContact CB-CG2 4.16Å
359	T	92.9	Very high	91.3	Very high	50 Å²	50	58.6 Å²	58.6	31%	0.307	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	138.2	179.2	-43.5	0	0	0	0	109.1	V555 E556 R558	T359-V555 WeakPolarHBondContact O-CA 3.4Å; T359-E556 PolarHBondContact N-O 2.91Å; T359-E556 PolarHBondContact O-N 3.49Å; T359-R558 PolarHBondContact OG1-NH1 3.43Å
360	I	93.9	Very high	90.3	Very high	58 Å²	58	63.9 Å²	63.9	30%	0.297	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	125.6	167.6	-57.7	170.1	0	0	0	107.4	V352 I354 V363 V553	V352-I360 HydrophobicContact CB-CD1 4.21Å; V352-I360 HydrophobicContact CG1-CD1 3.94Å; V352-I360 VanDerWaalsContact O-CD1 3.32Å; V352-I360 WeakPolarHBondContact O-CD1 3.43Å; I354-I360 HydrophobicContact CB-CD1 4.22Å; I354-I360 HydrophobicContact CB-CG1 4.16Å; I354-I360 HydrophobicContact CD1-CD1 4.32Å; I354-I360 HydrophobicContact CD1-CG1 3.63Å; I354-I360 HydrophobicContact CG1-CD1 4.08Å; I354-I360 HydrophobicContact CG1-CG1 3.92Å; I360-V363 HydrophobicContact CG2-CG2 3.61Å; I360-V553 HydrophobicContact CG2-CG1 4.17Å
361	L	92.9	Very high	89	Confident	81 Å²	81	64.4 Å²	64.4	42%	0.424	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-38.4	176.6	-61.7	-175.8	0	0	0	112.4	I333 L554 E556	I333-L361 HydrophobicContact CD1-CD1 4.02Å; I333-L361 HydrophobicContact CG1-CD1 4.35Å; I333-L361 HydrophobicContact CG2-CD1 4.07Å; L361-L554 HydrophobicContact CB-CB 4.26Å; L361-L554 HydrophobicContact CB-CD2 4.1Å; L361-L554 HydrophobicContact CB-CG 4.23Å; L361-L554 HydrophobicContact CD1-CD2 4.16Å; L361-L554 HydrophobicContact CD1-CG 4.31Å; L361-L554 PolarHBondContact N-O 2.84Å; L361-E556 HydrophobicContact CD1-CB 4.04Å; L361-E556 HydrophobicContact CD2-CB 4.12Å; L361-E556 HydrophobicContact CG-CB 4.02Å
362	D	93.7	Very high	87.7	Confident	80 Å²	80	61.5 Å²	61.5	43%	0.428	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	154.5	-179.2	-175.6	34.6	0	0	0	110.9	S364 L554	D362-S364 PolarHBondContact OD2-OG 2.73Å; D362-L554 HydrophobicContact CB-CB 3.95Å; D362-L554 PolarHBondContact O-N 3.33Å
363	V	93.7	Very high	86.2	Confident	58 Å²	58	65 Å²	65	35%	0.352	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	105.4	172.8	-177.8	0	0	0	0	107.7	V352 I360 L551 S552 V553	V352-V363 HydrophobicContact CB-CG2 4.31Å; V352-V363 HydrophobicContact CG2-CG1 3.9Å; V352-V363 HydrophobicContact CG2-CG2 4.25Å; I360-V363 HydrophobicContact CG2-CG2 3.61Å; V363-L551 HydrophobicContact CG1-CD1 3.76Å; V363-S552 WeakPolarHBondContact CA-O 3.27Å; V363-V553 HydrophobicContact CG1-CG2 4.48Å; V363-V553 HydrophobicContact CG2-CG1 4.36Å
364	S	93.9	Very high	84.8	Confident	50 Å²	50	64.8 Å²	64.8	35%	0.35	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	131	-177.8	46.9	0	0	0	0	111.8	D362 S552	D362-S364 PolarHBondContact OD2-OG 2.73Å; S364-S552 PolarHBondContact N-O 2.78Å; S364-S552 PolarHBondContact O-N 2.86Å
365	F	93.7	Very high	83.7	Confident	60 Å²	60	69.4 Å²	69.4	26%	0.263	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	136.2	172.7	173	-92.7	0	0	0	109.3	I345 K347 I350 A367 R549 E550	I345-F365 HydrophobicContact CG2-CE2 4.13Å; I345-F365 HydrophobicContact CG2-CZ 4.18Å; K347-F365 HydrophobicContact CB-CD1 3.74Å; K347-F365 HydrophobicContact CB-CE1 3.85Å; K347-F365 HydrophobicContact CB-CG 4.25Å; K347-F365 HydrophobicContact CB-CZ 4.44Å; I350-F365 HydrophobicContact CD1-CB 4.1Å; I350-F365 HydrophobicContact CD1-CD2 3.62Å; I350-F365 HydrophobicContact CD1-CE2 4.31Å; I350-F365 HydrophobicContact CD1-CG 4.03Å; F365-A367 HydrophobicContact CE1-CB 4.2Å; F365-A367 HydrophobicContact CZ-CB 4.43Å; F365-R549 HydrophobicContact CE2-CB 4.12Å; F365-R549 HydrophobicContact CE2-CG 4.32Å; F365-R549 HydrophobicContact CZ-CB 4.26Å; F365-R549 HydrophobicContact CZ-CG 3.97Å; F365-E550 WeakPolarHBondContact CA-O 3.5Å
366	S	92.3	Very high	83.2	Confident	41 Å²	41	66.4 Å²	66.4	29%	0.287	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	144	171.2	83.6	0	0	0	0	111.5	K368 R549 E550	S366-K368 WeakPolarHBondContact OG-CE 3.45Å; S366-R549 WeakPolarHBondContact O-CA 3.29Å; S366-E550 PolarHBondContact N-O 2.91Å; S366-E550 PolarHBondContact O-N 3.47Å
367	A	89.3	Confident	82.7	Confident	50 Å²	50	67 Å²	67	41%	0.413	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	134.1	169.4	0	0	0	0	0	107.9	F365 L547 A548 R549	F365-A367 HydrophobicContact CE1-CB 4.2Å; F365-A367 HydrophobicContact CZ-CB 4.43Å; A367-L547 HydrophobicContact CB-CB 4.43Å; A367-L547 HydrophobicContact CB-CD1 4.32Å; A367-A548 CarbonylContact C-O 3.56Å; A367-A548 WeakPolarHBondContact CA-O 3.44Å; A367-R549 HydrophobicContact CB-CG 4.28Å
368	K	84.7	Confident	82.2	Confident	110 Å²	110	68.2 Å²	68.2	48%	0.478	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	130.4	-175.3	-61.5	163.4	-175.4	165	0	108.5	S366 L370 L547 A548 E550	S366-K368 WeakPolarHBondContact OG-CE 3.45Å; K368-L370 PolarHBondContact O-N 3.11Å; K368-L547 CarbonylContact O-C 3.52Å; K368-L547 WeakPolarHBondContact O-CA 3.37Å; K368-A548 PolarHBondContact N-O 2.98Å; K368-A548 PolarHBondContact O-N 3.14Å; K368-E550 IonicContact NZ-OE2 3.86Å; K368-E550 PolarHBondContact NZ-OE2 2.6Å
369	S	75.9	Confident	82	Confident	40 Å²	40	74.6 Å²	74.6	28%	0.28	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	135.6	171.8	-177.4	0	0	0	0	110.6	S371	S369-S371 PolarHBondContact OG-N 3.22Å; S369-S371 PolarHBondContact OG-O 3.28Å
370	L	71.8	Confident	81.7	Confident	129 Å²	129	74.6 Å²	74.6	68%	0.675	43%	0.426	S	S	*	.	S	Bend	trans	-83.2	-15.8	172.1	-73.2	169.7	0	0	0	113.1	K368 H546 A548	K368-L370 PolarHBondContact O-N 3.11Å; L370-H546 WeakPolarHBondContact CB-O 3.21Å; L370-H546 PolarHBondContact N-O 3.23Å; L370-A548 HydrophobicContact CD1-CB 4.17Å; L370-A548 HydrophobicContact CD2-CB 3.82Å; L370-A548 HydrophobicContact CG-CB 3.83Å
371	S	64.9	Low	81.4	Confident	26 Å²	26	72.6 Å²	72.6	18%	0.182	42%	0.416	C	S	.	.	S	Bend	trans	-123.6	147.9	-178.6	68.5	0	0	0	0	112.6	S369 E373	S369-S371 PolarHBondContact OG-N 3.22Å; S369-S371 PolarHBondContact OG-O 3.28Å; S371-E373 PolarHBondContact O-N 2.89Å; S371-E373 VanDerWaalsContact O-N 3.17Å
372	G	66.4	Low	81.3	Confident	85 Å²	85	73.4 Å²	73.4	88%	0.876	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	22.2	171.3	0	0	0	0	0	113.6
373	E	64.3	Low	81.2	Confident	97 Å²	97	76.5 Å²	76.5	45%	0.453	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	6.3	-173.4	-62.1	175.9	156.9	0	0	112.5	S371 D375 T376 W377	S371-E373 PolarHBondContact O-N 2.89Å; S371-E373 VanDerWaalsContact O-N 3.17Å; E373-D375 PolarHBondContact O-N 2.9Å; E373-T376 PolarHBondContact O-N 3.43Å; E373-T376 PolarHBondContact O-OG1 2.91Å; E373-W377 PolarHBondContact O-N 2.86Å
374	E	65.9	Low	81.2	Confident	93 Å²	93	74.8 Å²	74.8	44%	0.435	42%	0.421	S	S	.	.	H	α-helix	trans	-51.5	-34.9	-178.8	-75.4	-172.8	129.1	0	0	113.1	S378	E374-S378 WeakPolarHBondContact O-CB 3.49Å; E374-S378 PolarHBondContact O-N 2.87Å; E374-S378 PolarHBondContact O-OG 3.01Å
375	D	69.7	Low	81.1	Confident	133 Å²	133	75.3 Å²	75.3	71%	0.711	42%	0.42	S	S	*	.	H	α-helix	trans	-62.8	-40.5	175.9	-74	-31.6	0	0	0	112.7	E373 Q379	E373-D375 PolarHBondContact O-N 2.9Å; D375-Q379 VanDerWaalsContact O-CB 3.24Å; D375-Q379 WeakPolarHBondContact O-CB 3.39Å; D375-Q379 PolarHBondContact O-N 3.23Å
376	T	78.8	Confident	81.2	Confident	80 Å²	80	75.5 Å²	75.5	49%	0.491	43%	0.426	S	S	.	.	H	α-helix	trans	-74.1	-43	-175.7	67.1	0	0	0	0	111.4	E373 Q379 C380	E373-T376 PolarHBondContact O-N 3.43Å; E373-T376 PolarHBondContact O-OG1 2.91Å; T376-Q379 PolarHBondContact O-N 3.46Å; T376-C380 WeakPolarHBondContact O-CB 3.34Å; T376-C380 PolarHBondContact O-N 2.89Å
377	W	77.8	Confident	81.3	Confident	58 Å²	58	76.8 Å²	76.8	22%	0.22	43%	0.427	C	S	.	.	H	α-helix	trans	-61	-46.7	172.8	-61.4	112.7	0	0	0	110.9	E373 Q379 C380 V381 I539 K542	E373-W377 PolarHBondContact O-N 2.86Å; W377-Q379 VanDerWaalsContact C-N 3.31Å; W377-Q379 PolarHBondContact O-N 2.84Å; W377-C380 PolarHBondContact O-N 2.92Å; W377-V381 WeakPolarHBondContact O-CG2 3.43Å; W377-V381 PolarHBondContact O-N 3Å; W377-I539 HydrophobicContact CE3-CG2 3.68Å; W377-I539 HydrophobicContact CZ3-CG2 4.28Å; W377-K542 HydrophobicContact CH2-CD 4.25Å; W377-K542 HydrophobicContact CZ3-CD 4.31Å
378	S	80	Confident	81.5	Confident	46 Å²	46	75 Å²	75	32%	0.322	41%	0.411	S	S	.	.	H	α-helix	trans	-61.4	-38.4	177.1	-61.3	0	0	0	0	112.4	E374 N382	E374-S378 WeakPolarHBondContact O-CB 3.49Å; E374-S378 PolarHBondContact O-N 2.87Å; E374-S378 PolarHBondContact O-OG 3.01Å; S378-N382 WeakPolarHBondContact O-CB 3.26Å; S378-N382 PolarHBondContact O-N 3.47Å; S378-N382 VanDerWaalsContact O-N 3.09Å; S378-N382 PolarHBondContact O-ND2 2.91Å
379	Q	85.7	Confident	82	Confident	141 Å²	141	76.3 Å²	76.3	66%	0.659	41%	0.413	S	S	*	.	H	α-helix	trans	-68.1	-45.4	178.4	-168.5	166.1	23.5	0	0	111.5	D375 T376 W377 N382 E383	D375-Q379 VanDerWaalsContact O-CB 3.24Å; D375-Q379 WeakPolarHBondContact O-CB 3.39Å; D375-Q379 PolarHBondContact O-N 3.23Å; T376-Q379 PolarHBondContact O-N 3.46Å; W377-Q379 VanDerWaalsContact C-N 3.31Å; W377-Q379 PolarHBondContact O-N 2.84Å; Q379-N382 PolarHBondContact O-N 2.92Å; Q379-E383 PolarHBondContact O-N 3.32Å
380	C	86.5	Confident	82.9	Confident	51 Å²	51	80.2 Å²	80.2	35%	0.345	43%	0.427	S	S	.	.	H	α-helix	trans	-63.7	-44.6	177.8	-170.1	0	0	0	0	112.4	T376 W377 N382 E383 L384	T376-C380 WeakPolarHBondContact O-CB 3.34Å; T376-C380 PolarHBondContact O-N 2.89Å; W377-C380 PolarHBondContact O-N 2.92Å; C380-N382 VanDerWaalsContact C-N 3.33Å; C380-N382 PolarHBondContact O-N 3.28Å; C380-E383 PolarHBondContact O-N 3.1Å; C380-L384 WeakPolarHBondContact O-CG 3.44Å; C380-L384 PolarHBondContact O-N 2.87Å
381	V	87.5	Confident	84	Confident	15 Å²	15	75 Å²	75	9%	0.091	40%	0.4	C	S	.	.	H	α-helix	trans	-60.4	-41.5	174.5	171	0	0	0	0	111.3	W377 E383 L385 V536 I539	W377-V381 WeakPolarHBondContact O-CG2 3.43Å; W377-V381 PolarHBondContact O-N 3Å; V381-E383 VanDerWaalsContact C-N 3.34Å; V381-E383 PolarHBondContact O-N 2.87Å; V381-L385 HydrophobicContact CG1-CD1 3.75Å; V381-L385 HydrophobicContact CG1-CG 4.23Å; V381-L385 VanDerWaalsContact O-CB 3.29Å; V381-L385 WeakPolarHBondContact O-CB 3.32Å; V381-L385 WeakPolarHBondContact O-CG 3.12Å; V381-L385 PolarHBondContact O-N 3.32Å; V381-V536 HydrophobicContact CG1-CG1 4.37Å; V381-I539 HydrophobicContact CG2-CB 4.13Å; V381-I539 HydrophobicContact CG2-CG2 3.46Å; V381-I539 VanDerWaalsContact CG2-CG2 3.46Å
382	N	90.1	Very high	85.5	Confident	98 Å²	98	79.5 Å²	79.5	52%	0.524	41%	0.413	S	S	.	.	H	α-helix	trans	-63.4	-38.1	176.7	-88.2	-74.9	0	0	0	112.9	S378 Q379 C380 L385 V386	S378-N382 WeakPolarHBondContact O-CB 3.26Å; S378-N382 PolarHBondContact O-N 3.47Å; S378-N382 VanDerWaalsContact O-N 3.09Å; S378-N382 PolarHBondContact O-ND2 2.91Å; Q379-N382 PolarHBondContact O-N 2.92Å; C380-N382 VanDerWaalsContact C-N 3.33Å; C380-N382 PolarHBondContact O-N 3.28Å; N382-L385 PolarHBondContact O-N 2.71Å; N382-V386 WeakPolarHBondContact O-CG2 3.42Å; N382-V386 PolarHBondContact O-N 2.92Å
383	E	93.2	Very high	87	Confident	146 Å²	146	83.7 Å²	83.7	68%	0.682	40%	0.403	S	S	*	.	H	α-helix	trans	-67.5	-47.6	178.2	-169	157.3	-135.1	0	0	111.6	Q379 C380 V381 L385 V386 E387	Q379-E383 PolarHBondContact O-N 3.32Å; C380-E383 PolarHBondContact O-N 3.1Å; V381-E383 VanDerWaalsContact C-N 3.34Å; V381-E383 PolarHBondContact O-N 2.87Å; E383-L385 VanDerWaalsContact C-N 3.33Å; E383-L385 PolarHBondContact O-N 3.43Å; E383-V386 WeakPolarHBondContact O-CA 3.5Å; E383-V386 WeakPolarHBondContact O-CB 3.34Å; E383-V386 PolarHBondContact O-N 3.06Å; E383-E387 PolarHBondContact O-N 2.95Å
384	L	93	Very high	88.5	Confident	22 Å²	22	85.5 Å²	85.5	12%	0.115	41%	0.406	C	S	.	.	H	α-helix	trans	-60.9	-39.7	173.1	-66.1	170.4	0	0	0	112.2	C380 V386 E387 L388 L532 E535 V536 I539	C380-L384 WeakPolarHBondContact O-CG 3.44Å; C380-L384 PolarHBondContact O-N 2.87Å; L384-V386 PolarHBondContact O-N 2.85Å; L384-E387 PolarHBondContact O-N 2.81Å; L384-L388 VanDerWaalsContact O-CB 3.3Å; L384-L388 WeakPolarHBondContact O-CB 3.48Å; L384-L388 PolarHBondContact O-N 3Å; L384-L532 HydrophobicContact CB-CD2 4.42Å; L384-L532 HydrophobicContact CD2-CD2 3.68Å; L384-E535 HydrophobicContact CD1-CB 4.04Å; L384-E535 HydrophobicContact CD2-CB 4.42Å; L384-E535 WeakPolarHBondContact CD2-OE2 3.4Å; L384-V536 HydrophobicContact CB-CG2 3.57Å; L384-V536 HydrophobicContact CD1-CG2 4.1Å; L384-V536 HydrophobicContact CG-CG2 4.49Å; L384-I539 HydrophobicContact CD1-CD1 3.54Å
385	L	91.7	Very high	89.9	Confident	60 Å²	60	81.7 Å²	81.7	31%	0.314	39%	0.39	S	S	.	.	H	α-helix	trans	-68.4	-19.7	173.6	-72.6	175	0	0	0	113	V381 N382 E383 L388 R389 V536	V381-L385 HydrophobicContact CG1-CD1 3.75Å; V381-L385 HydrophobicContact CG1-CG 4.23Å; V381-L385 VanDerWaalsContact O-CB 3.29Å; V381-L385 WeakPolarHBondContact O-CB 3.32Å; V381-L385 WeakPolarHBondContact O-CG 3.12Å; V381-L385 PolarHBondContact O-N 3.32Å; N382-L385 PolarHBondContact O-N 2.71Å; E383-L385 VanDerWaalsContact C-N 3.33Å; E383-L385 PolarHBondContact O-N 3.43Å; L385-L388 HydrophobicContact CD2-CD2 4.04Å; L385-R389 WeakPolarHBondContact O-CG 3.37Å; L385-R389 PolarHBondContact O-NE 3.1Å; L385-R389 PolarHBondContact O-NH2 2.69Å; L385-V536 HydrophobicContact CD2-CG1 4.4Å; L385-V536 HydrophobicContact CD2-CG2 4.36Å; L385-V536 HydrophobicContact CG-CG2 4.43Å
386	V	95.6	Very high	91.1	Very high	64 Å²	64	80 Å²	80	39%	0.388	38%	0.381	S	S	.	.	H	α-helix	trans	-77	-46.9	167.7	166.6	0	0	0	0	110.4	N382 E383 L384 L388 R389 Q390	N382-V386 WeakPolarHBondContact O-CG2 3.42Å; N382-V386 PolarHBondContact O-N 2.92Å; E383-V386 WeakPolarHBondContact O-CA 3.5Å; E383-V386 WeakPolarHBondContact O-CB 3.34Å; E383-V386 PolarHBondContact O-N 3.06Å; L384-V386 PolarHBondContact O-N 2.85Å; V386-L388 PolarHBondContact O-N 3.21Å; V386-R389 PolarHBondContact O-N 3.32Å; V386-Q390 WeakPolarHBondContact O-CG 3.32Å; V386-Q390 PolarHBondContact O-N 3.28Å; V386-Q390 VanDerWaalsContact O-N 3.13Å
387	E	94.7	Very high	92	Very high	69 Å²	69	81.5 Å²	81.5	32%	0.322	39%	0.386	S	S	.	.	H	α-helix	trans	-59.2	-47.1	176.5	-159.7	-167.1	144.6	0	0	111.1	E383 L384 R389 Q390 C391 R528 L532	E383-E387 PolarHBondContact O-N 2.95Å; L384-E387 PolarHBondContact O-N 2.81Å; E387-R389 VanDerWaalsContact C-N 3.25Å; E387-R389 PolarHBondContact O-N 3.46Å; E387-Q390 CarbonylContact O-C 3.56Å; E387-Q390 WeakPolarHBondContact O-CA 3.45Å; E387-Q390 WeakPolarHBondContact O-CB 3.46Å; E387-Q390 PolarHBondContact O-N 3.24Å; E387-C391 PolarHBondContact O-N 3.47Å; E387-C391 PolarHBondContact O-SG 2.72Å; E387-R528 IonicContact OE1-CZ 3.24Å; E387-R528 IonicContact OE1-NE 3.9Å; E387-R528 PolarHBondContact OE1-NE 3.42Å; E387-R528 IonicContact OE1-NH2 2.69Å; E387-R528 PolarHBondContact OE1-NH2 3.48Å; E387-R528 IonicContact OE2-CZ 3.78Å; E387-R528 IonicContact OE2-NE 2.7Å; E387-R528 IonicContact OE2-NH2 3.19Å; E387-R528 PolarHBondContact OE2-NH2 3.42Å; E387-L532 HydrophobicContact CB-CD1 4.08Å; E387-L532 HydrophobicContact CB-CD2 4.06Å; E387-L532 HydrophobicContact CG-CD1 3.91Å; E387-L532 HydrophobicContact CG-CD2 4.34Å
388	L	92.9	Very high	92.8	Very high	13 Å²	13	79 Å²	79	7%	0.068	38%	0.377	C	S	.	.	H	α-helix	trans	-55	-39.4	177.3	-176.6	69.8	0	0	0	112.5	L384 L385 V386 R392 I529 L532 E533	L384-L388 VanDerWaalsContact O-CB 3.3Å; L384-L388 WeakPolarHBondContact O-CB 3.48Å; L384-L388 PolarHBondContact O-N 3Å; L385-L388 HydrophobicContact CD2-CD2 4.04Å; V386-L388 PolarHBondContact O-N 3.21Å; L388-R392 WeakPolarHBondContact O-CB 3.31Å; L388-R392 VanDerWaalsContact O-CG 3.32Å; L388-R392 WeakPolarHBondContact O-CG 3.4Å; L388-R392 PolarHBondContact O-N 2.8Å; L388-I529 HydrophobicContact CD1-CB 4.43Å; L388-I529 HydrophobicContact CD1-CG2 3.9Å; L388-L532 HydrophobicContact CB-CB 4.48Å; L388-L532 HydrophobicContact CB-CD1 4.39Å; L388-L532 HydrophobicContact CD1-CB 3.92Å; L388-E533 HydrophobicContact CD1-CG 3.75Å; L388-E533 HydrophobicContact CD2-CG 4.19Å
389	R	95.1	Very high	93.6	Very high	137 Å²	137	79.2 Å²	79.2	52%	0.517	38%	0.376	S	S	.	.	H	α-helix	trans	-71.5	-28.3	175.5	-81.2	178.4	-72.3	177.6	-4.5	112.8	L385 V386 E387 R393	L385-R389 WeakPolarHBondContact O-CG 3.37Å; L385-R389 PolarHBondContact O-NE 3.1Å; L385-R389 PolarHBondContact O-NH2 2.69Å; V386-R389 PolarHBondContact O-N 3.32Å; E387-R389 VanDerWaalsContact C-N 3.25Å; E387-R389 PolarHBondContact O-N 3.46Å; R389-R393 WeakPolarHBondContact O-CD 3.2Å; R389-R393 VanDerWaalsContact O-CG 3.25Å; R389-R393 WeakPolarHBondContact O-CG 3.44Å; R389-R393 PolarHBondContact O-N 3.33Å
390	Q	96.1	Very high	94	Very high	122 Å²	122	77.5 Å²	77.5	57%	0.57	37%	0.371	S	S	*	.	H	α-helix	trans	-74.3	-46.8	172.5	-64.4	-177.2	43.4	0	0	111.1	V386 E387 R393 R394	V386-Q390 WeakPolarHBondContact O-CG 3.32Å; V386-Q390 PolarHBondContact O-N 3.28Å; V386-Q390 VanDerWaalsContact O-N 3.13Å; E387-Q390 CarbonylContact O-C 3.56Å; E387-Q390 WeakPolarHBondContact O-CA 3.45Å; E387-Q390 WeakPolarHBondContact O-CB 3.46Å; E387-Q390 PolarHBondContact O-N 3.24Å; Q390-R393 PolarHBondContact O-N 3.19Å; Q390-R394 PolarHBondContact O-N 2.98Å
391	C	95	Very high	94.4	Very high	18 Å²	18	79.4 Å²	79.4	12%	0.122	37%	0.371	C	S	.	.	H	α-helix	trans	-60.3	-47.1	177.4	-63	0	0	0	0	111.9	E387 R393 R394 A395 V525 I529 L532	E387-C391 PolarHBondContact O-N 3.47Å; E387-C391 PolarHBondContact O-SG 2.72Å; C391-R393 PolarHBondContact O-N 2.7Å; C391-R394 WeakPolarHBondContact O-CA 3.46Å; C391-R394 WeakPolarHBondContact O-CB 3.27Å; C391-R394 PolarHBondContact O-N 2.76Å; C391-A395 PolarHBondContact O-N 3.26Å; C391-V525 HydrophobicContact CB-CG1 4.31Å; C391-V525 WeakPolarHBondContact O-CG1 3.49Å; C391-I529 HydrophobicContact CB-CD1 4.25Å; C391-I529 HydrophobicContact CB-CG1 3.59Å; C391-L532 HydrophobicContact CB-CD1 4.4Å
392	R	95.8	Very high	94.7	Very high	121 Å²	121	79.8 Å²	79.8	46%	0.457	37%	0.372	S	S	.	.	H	α-helix	trans	-57.3	-45.3	175.5	-74.8	176.7	174.3	-162	1.3	112.3	L388 R394 A395 D396 I529 E533	L388-R392 WeakPolarHBondContact O-CB 3.31Å; L388-R392 VanDerWaalsContact O-CG 3.32Å; L388-R392 WeakPolarHBondContact O-CG 3.4Å; L388-R392 PolarHBondContact O-N 2.8Å; R392-R394 VanDerWaalsContact C-N 3.31Å; R392-R394 PolarHBondContact O-N 3Å; R392-A395 WeakPolarHBondContact O-CB 3.46Å; R392-A395 PolarHBondContact O-N 3.23Å; R392-D396 PolarHBondContact O-N 3.32Å; R392-I529 HydrophobicContact CB-CD1 4.49Å; R392-I529 HydrophobicContact CG-CD1 3.88Å; R392-I529 HydrophobicContact CG-CG1 4.19Å; R392-I529 HydrophobicContact CG-CG2 4.38Å; R392-E533 IonicContact CZ-OE1 2.82Å; R392-E533 IonicContact NE-OE1 3.3Å; R392-E533 IonicContact NH2-OE1 3.13Å; R392-E533 PolarHBondContact NH2-OE1 2.91Å
393	R	96.7	Very high	94.8	Very high	173 Å²	173	78.2 Å²	78.2	65%	0.653	36%	0.363	S	S	*	.	H	α-helix	trans	-62.3	-33.8	173.8	-75.3	172.8	176.6	179.2	-0.6	113.3	R389 Q390 C391 N397	R389-R393 WeakPolarHBondContact O-CD 3.2Å; R389-R393 VanDerWaalsContact O-CG 3.25Å; R389-R393 WeakPolarHBondContact O-CG 3.44Å; R389-R393 PolarHBondContact O-N 3.33Å; Q390-R393 PolarHBondContact O-N 3.19Å; C391-R393 PolarHBondContact O-N 2.7Å; R393-N397 VanDerWaalsContact O-CG 3.3Å; R393-N397 PolarHBondContact O-N 2.87Å; R393-N397 VanDerWaalsContact O-N 3.09Å; R393-N397 PolarHBondContact O-ND2 2.9Å; R393-N397 VanDerWaalsContact O-ND2 3.08Å
394	R	96.5	Very high	94.8	Very high	136 Å²	136	79.9 Å²	79.9	51%	0.513	36%	0.363	S	S	.	.	H	α-helix	trans	-67.7	-44.3	174.3	-169.4	173.5	-177.1	165.1	-0.7	110.4	Q390 C391 R392 D396 N397 L398 E521 V525	Q390-R394 PolarHBondContact O-N 2.98Å; C391-R394 WeakPolarHBondContact O-CA 3.46Å; C391-R394 WeakPolarHBondContact O-CB 3.27Å; C391-R394 PolarHBondContact O-N 2.76Å; R392-R394 VanDerWaalsContact C-N 3.31Å; R392-R394 PolarHBondContact O-N 3Å; R394-D396 PolarHBondContact O-N 2.83Å; R394-N397 PolarHBondContact O-N 2.91Å; R394-L398 HydrophobicContact CG-CD1 4.04Å; R394-L398 HydrophobicContact CG-CG 4.48Å; R394-L398 VanDerWaalsContact O-CG 3.26Å; R394-L398 WeakPolarHBondContact O-CG 3.42Å; R394-L398 PolarHBondContact O-N 2.83Å; R394-E521 IonicContact CZ-OE1 3.2Å; R394-E521 VanDerWaalsContact CZ-OE1 3.25Å; R394-E521 IonicContact NE-OE1 3.21Å; R394-E521 PolarHBondContact NE-OE1 3.09Å; R394-E521 IonicContact NH2-OE1 3.63Å; R394-E521 PolarHBondContact NH2-OE1 3.22Å; R394-V525 HydrophobicContact CB-CG1 4.28Å; R394-V525 HydrophobicContact CG-CG2 4.07Å
395	A	95.2	Very high	94.8	Very high	13 Å²	13	79.3 Å²	79.3	11%	0.107	36%	0.361	C	S	.	.	H	α-helix	trans	-57.7	-47.4	173.9	0	0	0	0	0	111.8	C391 R392 N397 L398 V399 L522 V525 I529	C391-A395 PolarHBondContact O-N 3.26Å; R392-A395 WeakPolarHBondContact O-CB 3.46Å; R392-A395 PolarHBondContact O-N 3.23Å; A395-N397 VanDerWaalsContact C-N 3.32Å; A395-N397 PolarHBondContact O-N 2.87Å; A395-L398 PolarHBondContact O-N 3.39Å; A395-L398 VanDerWaalsContact O-N 3.16Å; A395-V399 WeakPolarHBondContact O-CG2 3.34Å; A395-V399 PolarHBondContact O-N 3.35Å; A395-L522 HydrophobicContact CB-CD1 3.83Å; A395-V525 HydrophobicContact CB-CG1 3.88Å; A395-I529 HydrophobicContact CB-CD1 4.09Å
396	D	95.4	Very high	94.9	Very high	96 Å²	96	80.6 Å²	80.6	51%	0.513	37%	0.365	S	S	.	.	H	α-helix	trans	-56.1	-44.9	175.2	-68.6	-37.4	0	0	0	111.9	R392 R394 N400	R392-D396 PolarHBondContact O-N 3.32Å; R394-D396 PolarHBondContact O-N 2.83Å; D396-N400 WeakPolarHBondContact O-CB 3.48Å; D396-N400 PolarHBondContact O-N 3.4Å; D396-N400 PolarHBondContact O-ND2 3.24Å
397	N	96.8	Very high	94.6	Very high	113 Å²	113	84 Å²	84	60%	0.604	38%	0.375	S	S	*	.	H	α-helix	trans	-66	-36.8	178.1	-74.8	-35.6	0	0	0	112.6	R393 R394 A395 N400 R401	R393-N397 VanDerWaalsContact O-CG 3.3Å; R393-N397 PolarHBondContact O-N 2.87Å; R393-N397 VanDerWaalsContact O-N 3.09Å; R393-N397 PolarHBondContact O-ND2 2.9Å; R393-N397 VanDerWaalsContact O-ND2 3.08Å; R394-N397 PolarHBondContact O-N 2.91Å; A395-N397 VanDerWaalsContact C-N 3.32Å; A395-N397 PolarHBondContact O-N 2.87Å; N397-N400 PolarHBondContact O-N 3.17Å; N397-R401 PolarHBondContact O-N 2.76Å
398	L	96.4	Very high	94.4	Very high	4 Å²	4	84.9 Å²	84.9	2%	0.021	38%	0.379	C	S	.	.	H	α-helix	trans	-71.8	-42.8	178.6	-67.1	169	0	0	0	111.9	R394 A395 N400 R401 I402 T518 E521 L522 V525	R394-L398 HydrophobicContact CG-CD1 4.04Å; R394-L398 HydrophobicContact CG-CG 4.48Å; R394-L398 VanDerWaalsContact O-CG 3.26Å; R394-L398 WeakPolarHBondContact O-CG 3.42Å; R394-L398 PolarHBondContact O-N 2.83Å; A395-L398 PolarHBondContact O-N 3.39Å; A395-L398 VanDerWaalsContact O-N 3.16Å; L398-N400 VanDerWaalsContact C-N 3.28Å; L398-N400 PolarHBondContact O-N 2.87Å; L398-R401 VanDerWaalsContact CD2-NH1 3.3Å; L398-R401 CarbonylContact O-C 3.58Å; L398-R401 WeakPolarHBondContact O-CA 3.18Å; L398-R401 WeakPolarHBondContact O-CB 3.35Å; L398-R401 PolarHBondContact O-N 2.83Å; L398-I402 WeakPolarHBondContact O-CG1 3.3Å; L398-I402 PolarHBondContact O-N 3.12Å; L398-T518 HydrophobicContact CB-CG2 4.23Å; L398-T518 HydrophobicContact CD2-CG2 3.93Å; L398-E521 HydrophobicContact CD1-CB 4.03Å; L398-E521 HydrophobicContact CD1-CG 3.76Å; L398-E521 HydrophobicContact CD2-CB 4.23Å; L398-E521 HydrophobicContact CD2-CG 4.1Å; L398-E521 WeakPolarHBondContact CD2-OE2 3.35Å; L398-L522 HydrophobicContact CB-CB 4.23Å; L398-L522 HydrophobicContact CB-CD1 4.25Å; L398-L522 HydrophobicContact CD1-CB 4.43Å; L398-V525 HydrophobicContact CD1-CG2 4.16Å
399	V	95.7	Very high	94.2	Very high	51 Å²	51	87.9 Å²	87.9	31%	0.309	39%	0.389	S	S	.	.	H	α-helix	trans	-57.3	-43.1	170.8	170.9	0	0	0	0	110.8	A395 R401 I402 I403 L522	A395-V399 WeakPolarHBondContact O-CG2 3.34Å; A395-V399 PolarHBondContact O-N 3.35Å; V399-R401 VanDerWaalsContact C-N 3.3Å; V399-R401 PolarHBondContact O-N 2.86Å; V399-I402 PolarHBondContact O-N 2.59Å; V399-I403 HydrophobicContact CG1-CD1 3.7Å; V399-I403 WeakPolarHBondContact O-CB 3.43Å; V399-I403 VanDerWaalsContact O-CG1 3.29Å; V399-I403 WeakPolarHBondContact O-CG1 3.35Å; V399-I403 PolarHBondContact O-N 2.86Å; V399-L522 HydrophobicContact CG2-CD1 3.93Å; V399-L522 HydrophobicContact CG2-CD2 3.66Å; V399-L522 HydrophobicContact CG2-CG 4.49Å
400	N	94.6	Very high	93.7	Very high	105 Å²	105	84.4 Å²	84.4	56%	0.561	39%	0.386	S	S	*	.	H	α-helix	trans	-67.9	-25.2	174.3	-79.4	-76.1	0	0	0	113.7	D396 N397 L398 R404	D396-N400 WeakPolarHBondContact O-CB 3.48Å; D396-N400 PolarHBondContact O-N 3.4Å; D396-N400 PolarHBondContact O-ND2 3.24Å; N397-N400 PolarHBondContact O-N 3.17Å; L398-N400 VanDerWaalsContact C-N 3.28Å; L398-N400 PolarHBondContact O-N 2.87Å; N400-R404 WeakPolarHBondContact O-CB 3.23Å; N400-R404 PolarHBondContact O-N 2.83Å
401	R	95.5	Very high	93.3	Very high	92 Å²	92	83.6 Å²	83.6	35%	0.347	39%	0.389	S	S	.	.	H	α-helix	trans	-72.5	-47.8	172.3	-171.4	168.1	95.8	-152.4	1.9	110.5	N397 L398 V399 R404 T405 T518 E521	N397-R401 PolarHBondContact O-N 2.76Å; L398-R401 VanDerWaalsContact CD2-NH1 3.3Å; L398-R401 CarbonylContact O-C 3.58Å; L398-R401 WeakPolarHBondContact O-CA 3.18Å; L398-R401 WeakPolarHBondContact O-CB 3.35Å; L398-R401 PolarHBondContact O-N 2.83Å; V399-R401 VanDerWaalsContact C-N 3.3Å; V399-R401 PolarHBondContact O-N 2.86Å; R401-R404 WeakPolarHBondContact O-CB 3.41Å; R401-R404 PolarHBondContact O-N 3.41Å; R401-R404 VanDerWaalsContact O-N 3.15Å; R401-T405 PolarHBondContact O-N 3.4Å; R401-T405 PolarHBondContact O-OG1 3.35Å; R401-T405 VanDerWaalsContact O-OG1 3.11Å; R401-T518 HydrophobicContact CB-CG2 3.89Å; R401-T518 HydrophobicContact CG-CG2 3.99Å; R401-T518 VanDerWaalsContact CZ-OG1 3.27Å; R401-T518 VanDerWaalsContact NE-CG2 3.31Å; R401-T518 PolarHBondContact NE-OG1 2.83Å; R401-T518 PolarHBondContact NH2-OG1 3.21Å; R401-E521 IonicContact CZ-OE2 3.12Å; R401-E521 VanDerWaalsContact CZ-OE2 3.3Å; R401-E521 IonicContact NH1-OE2 2.73Å; R401-E521 PolarHBondContact NH1-OE2 3.32Å; R401-E521 IonicContact NH2-OE2 2.83Å; R401-E521 PolarHBondContact NH2-OE2 3.34Å
402	I	93.8	Very high	92.8	Very high	22 Å²	22	84.5 Å²	84.5	11%	0.113	39%	0.392	C	S	.	.	H	α-helix	trans	-54.6	-57.3	174.5	-64.1	170.6	0	0	0	110.4	L398 V399 R404 T405 E406 L515 T518 L522	L398-I402 WeakPolarHBondContact O-CG1 3.3Å; L398-I402 PolarHBondContact O-N 3.12Å; V399-I402 PolarHBondContact O-N 2.59Å; I402-R404 PolarHBondContact O-N 2.93Å; I402-T405 PolarHBondContact O-N 2.89Å; I402-E406 HydrophobicContact CG2-CG 4.02Å; I402-E406 WeakPolarHBondContact O-CG 3.46Å; I402-E406 PolarHBondContact O-N 2.83Å; I402-L515 HydrophobicContact CG2-CD2 4.02Å; I402-T518 HydrophobicContact CD1-CG2 4.19Å; I402-T518 HydrophobicContact CG1-CG2 3.51Å; I402-L522 HydrophobicContact CD1-CD2 3.78Å
403	I	91.2	Very high	92.1	Very high	65 Å²	65	82 Å²	82	33%	0.333	39%	0.386	S	S	.	.	H	α-helix	trans	-57.6	-22.9	-179.2	-68.8	169	0	0	0	113	V399 E406 K407	V399-I403 HydrophobicContact CG1-CD1 3.7Å; V399-I403 WeakPolarHBondContact O-CB 3.43Å; V399-I403 VanDerWaalsContact O-CG1 3.29Å; V399-I403 WeakPolarHBondContact O-CG1 3.35Å; V399-I403 PolarHBondContact O-N 2.86Å; I403-E406 WeakPolarHBondContact CA-OE2 3.46Å; I403-K407 VanDerWaalsContact CG2-NZ 3.25Å; I403-K407 VanDerWaalsContact O-CD 3.22Å; I403-K407 WeakPolarHBondContact O-CD 3.42Å; I403-K407 WeakPolarHBondContact O-CE 3.22Å; I403-K407 VanDerWaalsContact O-CG 3.3Å; I403-K407 WeakPolarHBondContact O-CG 3.21Å
404	R	93.8	Very high	91.4	Very high	181 Å²	181	77.9 Å²	77.9	68%	0.683	38%	0.38	S	S	*	.	H	α-helix	trans	-82.1	-48.1	174.4	-165.5	-174.6	-164.6	118.2	2.9	111.4	N400 R401 I402 K407 Q408	N400-R404 WeakPolarHBondContact O-CB 3.23Å; N400-R404 PolarHBondContact O-N 2.83Å; R401-R404 WeakPolarHBondContact O-CB 3.41Å; R401-R404 PolarHBondContact O-N 3.41Å; R401-R404 VanDerWaalsContact O-N 3.15Å; I402-R404 PolarHBondContact O-N 2.93Å; R404-K407 PolarHBondContact O-N 2.8Å; R404-Q408 WeakPolarHBondContact O-CG 3.49Å; R404-Q408 PolarHBondContact O-N 3.4Å; R404-Q408 VanDerWaalsContact O-N 3.12Å
405	T	92.8	Very high	90.6	Very high	10 Å²	10	76.3 Å²	76.3	6%	0.061	38%	0.377	C	S	.	.	H	α-helix	trans	-65.2	-42	-179.9	-50.5	0	0	0	0	111.6	R401 I402 K407 Q408 R409 F511 V514 L515	R401-T405 PolarHBondContact O-N 3.4Å; R401-T405 PolarHBondContact O-OG1 3.35Å; R401-T405 VanDerWaalsContact O-OG1 3.11Å; I402-T405 PolarHBondContact O-N 2.89Å; T405-K407 VanDerWaalsContact C-N 3.28Å; T405-K407 PolarHBondContact O-N 2.85Å; T405-Q408 PolarHBondContact O-N 3.24Å; T405-R409 PolarHBondContact O-N 2.86Å; T405-F511 HydrophobicContact CG2-CB 4Å; T405-F511 HydrophobicContact CG2-CD1 3.78Å; T405-F511 HydrophobicContact CG2-CG 4.21Å; T405-V514 HydrophobicContact CG2-CB 4.3Å; T405-V514 HydrophobicContact CG2-CG1 4Å; T405-L515 HydrophobicContact CG2-CD1 4.37Å; T405-L515 HydrophobicContact CG2-CD2 4.05Å; T405-L515 HydrophobicContact CG2-CG 3.76Å
406	E	92.3	Very high	89.7	Confident	88 Å²	88	76.7 Å²	76.7	41%	0.411	38%	0.38	S	S	.	.	H	α-helix	trans	-53.4	-44	172.7	-71.3	175.3	148.9	0	0	111.9	I402 I403 Q408 R409 C410 L515	I402-E406 HydrophobicContact CG2-CG 4.02Å; I402-E406 WeakPolarHBondContact O-CG 3.46Å; I402-E406 PolarHBondContact O-N 2.83Å; I403-E406 WeakPolarHBondContact CA-OE2 3.46Å; E406-Q408 VanDerWaalsContact C-N 3.34Å; E406-Q408 PolarHBondContact O-N 2.8Å; E406-R409 PolarHBondContact O-N 2.69Å; E406-C410 VanDerWaalsContact O-CB 3.24Å; E406-C410 WeakPolarHBondContact O-CB 3.44Å; E406-C410 PolarHBondContact O-N 2.92Å; E406-L515 HydrophobicContact CG-CD2 3.78Å
407	K	90	Very high	88.7	Confident	134 Å²	134	76.4 Å²	76.4	58%	0.583	38%	0.378	S	S	*	.	H	α-helix	trans	-69.6	-31.4	178.2	-71.8	171.3	-170.5	162.4	0	112.6	I403 R404 T405 V411	I403-K407 VanDerWaalsContact CG2-NZ 3.25Å; I403-K407 VanDerWaalsContact O-CD 3.22Å; I403-K407 WeakPolarHBondContact O-CD 3.42Å; I403-K407 WeakPolarHBondContact O-CE 3.22Å; I403-K407 VanDerWaalsContact O-CG 3.3Å; I403-K407 WeakPolarHBondContact O-CG 3.21Å; R404-K407 PolarHBondContact O-N 2.8Å; T405-K407 VanDerWaalsContact C-N 3.28Å; T405-K407 PolarHBondContact O-N 2.85Å; K407-V411 WeakPolarHBondContact O-CB 3.49Å; K407-V411 VanDerWaalsContact O-CG2 3.22Å; K407-V411 WeakPolarHBondContact O-CG2 3.47Å; K407-V411 PolarHBondContact O-N 2.81Å; K407-V411 VanDerWaalsContact O-N 3.12Å
408	Q	89.9	Confident	87.6	Confident	88 Å²	88	72.8 Å²	72.8	41%	0.411	36%	0.362	S	S	.	.	H	α-helix	trans	-71.6	-43.4	175.1	-69	178.9	-119.2	0	0	111.1	R404 T405 E406 V411 L412 F511	R404-Q408 WeakPolarHBondContact O-CG 3.49Å; R404-Q408 PolarHBondContact O-N 3.4Å; R404-Q408 VanDerWaalsContact O-N 3.12Å; T405-Q408 PolarHBondContact O-N 3.24Å; E406-Q408 VanDerWaalsContact C-N 3.34Å; E406-Q408 PolarHBondContact O-N 2.8Å; Q408-V411 PolarHBondContact O-N 3.48Å; Q408-L412 PolarHBondContact O-N 2.67Å; Q408-L412 VanDerWaalsContact O-N 3.07Å; Q408-F511 HydrophobicContact CB-CD1 4.43Å; Q408-F511 HydrophobicContact CB-CE1 3.86Å; Q408-F511 HydrophobicContact CB-CE2 3.96Å; Q408-F511 HydrophobicContact CB-CZ 3.62Å
409	R	89.9	Confident	86.4	Confident	76 Å²	76	74 Å²	74	29%	0.287	37%	0.369	S	S	.	.	H	α-helix	trans	-57.4	-53.3	170.9	178.8	-174.2	178.8	137.7	27.2	111.9	T405 E406 V411 L412 E413 F511 D512	T405-R409 PolarHBondContact O-N 2.86Å; E406-R409 PolarHBondContact O-N 2.69Å; R409-V411 VanDerWaalsContact C-N 3.3Å; R409-V411 PolarHBondContact O-N 2.81Å; R409-L412 WeakPolarHBondContact O-CA 3.33Å; R409-L412 VanDerWaalsContact O-CB 3.24Å; R409-L412 WeakPolarHBondContact O-CB 3.3Å; R409-L412 PolarHBondContact O-N 2.87Å; R409-E413 HydrophobicContact CG-CG 4.43Å; R409-E413 WeakPolarHBondContact CG-OE1 3.38Å; R409-E413 IonicContact CZ-OE1 3.94Å; R409-E413 IonicContact NE-OE1 2.65Å; R409-E413 PolarHBondContact NE-OE1 2.82Å; R409-E413 IonicContact NH2-OE1 3.15Å; R409-E413 PolarHBondContact O-N 2.84Å; R409-F511 HydrophobicContact CB-CB 4.29Å; R409-F511 HydrophobicContact CB-CD2 4.3Å; R409-D512 VanDerWaalsContact CZ-CG 3.44Å; R409-D512 IonicContact CZ-OD1 3.41Å; R409-D512 IonicContact CZ-OD2 3.7Å; R409-D512 IonicContact NE-OD1 3.75Å; R409-D512 IonicContact NH1-OD1 2.61Å; R409-D512 PolarHBondContact NH1-OD1 2.93Å; R409-D512 IonicContact NH1-OD2 2.75Å; R409-D512 PolarHBondContact NH1-OD2 2.79Å; R409-D512 IonicContact NH2-OD1 3.93Å; R409-D512 PolarHBondContact NH2-OD1 3.09Å; R409-D512 IonicContact NH2-OD2 2.8Å; R409-D512 PolarHBondContact NH2-OD2 3.14Å
410	C	85.3	Confident	85	Confident	65 Å²	65	74.1 Å²	74.1	44%	0.439	37%	0.371	S	S	.	.	H	α-helix	trans	-59.4	-37.5	-179.4	-177.9	0	0	0	0	112.9	E406 T414	E406-C410 VanDerWaalsContact O-CB 3.24Å; E406-C410 WeakPolarHBondContact O-CB 3.44Å; E406-C410 PolarHBondContact O-N 2.92Å; C410-T414 VanDerWaalsContact O-CB 3.3Å; C410-T414 WeakPolarHBondContact O-CB 3.39Å; C410-T414 PolarHBondContact O-N 3.2Å; C410-T414 PolarHBondContact O-OG1 3.21Å
411	V	86.1	Confident	83.3	Confident	104 Å²	104	77.4 Å²	77.4	63%	0.63	38%	0.376	S	S	*	.	H	α-helix	trans	-67.7	-36.1	173.4	166.2	0	0	0	0	111.8	K407 Q408 R409 F415	K407-V411 WeakPolarHBondContact O-CB 3.49Å; K407-V411 VanDerWaalsContact O-CG2 3.22Å; K407-V411 WeakPolarHBondContact O-CG2 3.47Å; K407-V411 PolarHBondContact O-N 2.81Å; K407-V411 VanDerWaalsContact O-N 3.12Å; Q408-V411 PolarHBondContact O-N 3.48Å; R409-V411 VanDerWaalsContact C-N 3.3Å; R409-V411 PolarHBondContact O-N 2.81Å; V411-F415 WeakPolarHBondContact O-CB 3.24Å; V411-F415 PolarHBondContact O-N 3.34Å; V411-F415 VanDerWaalsContact O-N 3.09Å
412	L	84.5	Confident	81.3	Confident	38 Å²	38	78.6 Å²	78.6	20%	0.199	38%	0.38	C	S	.	.	H	α-helix	trans	-65.9	-49	175.9	-157.2	78.5	0	0	0	111	Q408 R409 F415 A416 Y504 E507 A508 F511	Q408-L412 PolarHBondContact O-N 2.67Å; Q408-L412 VanDerWaalsContact O-N 3.07Å; R409-L412 WeakPolarHBondContact O-CA 3.33Å; R409-L412 VanDerWaalsContact O-CB 3.24Å; R409-L412 WeakPolarHBondContact O-CB 3.3Å; R409-L412 PolarHBondContact O-N 2.87Å; L412-F415 WeakPolarHBondContact O-CB 3.43Å; L412-F415 PolarHBondContact O-N 3.4Å; L412-A416 PolarHBondContact O-N 2.94Å; L412-Y504 HydrophobicContact CB-CE2 4.4Å; L412-Y504 HydrophobicContact CD2-CD2 3.87Å; L412-Y504 HydrophobicContact CD2-CE2 3.93Å; L412-Y504 HydrophobicContact CG-CD2 3.72Å; L412-Y504 HydrophobicContact CG-CE2 3.78Å; L412-E507 HydrophobicContact CD2-CB 4.22Å; L412-A508 HydrophobicContact CD2-CB 4.04Å; L412-F511 HydrophobicContact CD2-CD2 4.33Å; L412-F511 HydrophobicContact CD2-CE2 4.27Å
413	E	81.7	Confident	79.2	Confident	68 Å²	68	82.5 Å²	82.5	32%	0.318	40%	0.398	S	S	.	.	H	α-helix	trans	-58.6	-50	175.7	-70.9	165.2	168.3	0	0	111.2	R409 F415 A416 D417	R409-E413 HydrophobicContact CG-CG 4.43Å; R409-E413 WeakPolarHBondContact CG-OE1 3.38Å; R409-E413 IonicContact CZ-OE1 3.94Å; R409-E413 IonicContact NE-OE1 2.65Å; R409-E413 PolarHBondContact NE-OE1 2.82Å; R409-E413 IonicContact NH2-OE1 3.15Å; R409-E413 PolarHBondContact O-N 2.84Å; E413-F415 PolarHBondContact O-N 3.33Å; E413-A416 PolarHBondContact O-N 3.37Å; E413-A416 VanDerWaalsContact O-N 3.08Å; E413-D417 PolarHBondContact O-N 2.97Å
414	T	81.8	Confident	77	Confident	87 Å²	87	83.8 Å²	83.8	53%	0.534	41%	0.406	S	S	.	.	H	α-helix	trans	-58.7	-33.1	177.1	-55.5	0	0	0	0	112.2	C410 S418	C410-T414 VanDerWaalsContact O-CB 3.3Å; C410-T414 WeakPolarHBondContact O-CB 3.39Å; C410-T414 PolarHBondContact O-N 3.2Å; C410-T414 PolarHBondContact O-OG1 3.21Å; T414-S418 PolarHBondContact O-N 3.41Å; T414-S418 VanDerWaalsContact O-N 3.16Å
415	F	79.8	Confident	74.5	Confident	103 Å²	103	82.4 Å²	82.4	45%	0.452	41%	0.407	S	S	.	.	H	α-helix	trans	-73.4	-39.7	176.7	-174.9	-95.1	0	0	0	112.2	V411 L412 E413 S418 L419 F500	V411-F415 WeakPolarHBondContact O-CB 3.24Å; V411-F415 PolarHBondContact O-N 3.34Å; V411-F415 VanDerWaalsContact O-N 3.09Å; L412-F415 WeakPolarHBondContact O-CB 3.43Å; L412-F415 PolarHBondContact O-N 3.4Å; E413-F415 PolarHBondContact O-N 3.33Å; F415-S418 WeakPolarHBondContact O-CB 3.31Å; F415-S418 PolarHBondContact O-N 3.21Å; F415-S418 VanDerWaalsContact O-N 3.17Å; F415-S418 PolarHBondContact O-OG 3Å; F415-L419 HydrophobicContact CD1-CD1 3.96Å; F415-L419 HydrophobicContact CE1-CD1 3.57Å; F415-L419 HydrophobicContact CE1-CG 4.33Å; F415-L419 HydrophobicContact CZ-CD1 4.34Å; F415-L419 PolarHBondContact O-N 2.9Å; F415-F500 HydrophobicContact CD1-CE1 4.39Å; F415-F500 HydrophobicContact CD1-CE2 4.04Å; F415-F500 AromaticContact CD1-CZ 3.57Å; F415-F500 HydrophobicContact CD1-CZ 3.57Å; F415-F500 HydrophobicContact CE1-CD2 4.49Å; F415-F500 HydrophobicContact CE1-CE1 4.33Å; F415-F500 AromaticContact CE1-CE2 3.63Å; F415-F500 HydrophobicContact CE1-CE2 3.63Å; F415-F500 AromaticContact CE1-CZ 3.56Å; F415-F500 HydrophobicContact CE1-CZ 3.56Å
416	A	76.8	Confident	72.2	Confident	20 Å²	20	87.1 Å²	87.1	17%	0.165	43%	0.431	C	S	.	.	H	α-helix	trans	-63.7	-44.7	174	0	0	0	0	0	112.1	L412 E413 S418 L419 S420 Y504	L412-A416 PolarHBondContact O-N 2.94Å; E413-A416 PolarHBondContact O-N 3.37Å; E413-A416 VanDerWaalsContact O-N 3.08Å; A416-S418 PolarHBondContact O-N 2.54Å; A416-L419 WeakPolarHBondContact O-CA 3.19Å; A416-L419 WeakPolarHBondContact O-CB 3.5Å; A416-L419 PolarHBondContact O-N 3.31Å; A416-S420 PolarHBondContact O-N 3.08Å; A416-S420 VanDerWaalsContact O-N 3.08Å; A416-S420 PolarHBondContact O-OG 2.93Å; A416-Y504 HydrophobicContact CB-CD2 3.91Å; A416-Y504 HydrophobicContact CB-CE2 3.52Å
417	D	75	Confident	69.5	Low	90 Å²	90	89.7 Å²	89.7	48%	0.481	45%	0.447	S	S	.	.	H	α-helix	trans	-57.8	-31.8	171.2	-88.4	-4.2	0	0	0	112.7	E413 L419 S420 R421	E413-D417 PolarHBondContact O-N 2.97Å; D417-L419 VanDerWaalsContact C-N 3.29Å; D417-S420 PolarHBondContact O-OG 3.18Å; D417-R421 WeakPolarHBondContact O-CB 3.48Å; D417-R421 VanDerWaalsContact O-CG 3.29Å; D417-R421 WeakPolarHBondContact O-CG 3.35Å; D417-R421 PolarHBondContact O-N 3.13Å
418	S	73.6	Confident	66.8	Low	37 Å²	37	90.4 Å²	90.4	26%	0.259	46%	0.456	S	S	.	.	H	α-helix	trans	-72.7	-22.1	175.2	94.9	0	0	0	0	113.1	T414 F415 A416 R422	T414-S418 PolarHBondContact O-N 3.41Å; T414-S418 VanDerWaalsContact O-N 3.16Å; F415-S418 WeakPolarHBondContact O-CB 3.31Å; F415-S418 PolarHBondContact O-N 3.21Å; F415-S418 VanDerWaalsContact O-N 3.17Å; F415-S418 PolarHBondContact O-OG 3Å; A416-S418 PolarHBondContact O-N 2.54Å; S418-R422 PolarHBondContact O-NH1 2.88Å; S418-R422 PolarHBondContact O-NH2 2.89Å; S418-R422 PolarHBondContact OG-NH2 3.32Å
419	L	69.5	Low	63.9	Low	31 Å²	31	89.5 Å²	89.5	16%	0.162	47%	0.471	C	S	.	.	H	α-helix	trans	-85.7	-49.8	178.6	-78.3	163.9	0	0	0	111.2	F415 A416 D417 R421 R422 E423 F500	F415-L419 HydrophobicContact CD1-CD1 3.96Å; F415-L419 HydrophobicContact CE1-CD1 3.57Å; F415-L419 HydrophobicContact CE1-CG 4.33Å; F415-L419 HydrophobicContact CZ-CD1 4.34Å; F415-L419 PolarHBondContact O-N 2.9Å; A416-L419 WeakPolarHBondContact O-CA 3.19Å; A416-L419 WeakPolarHBondContact O-CB 3.5Å; A416-L419 PolarHBondContact O-N 3.31Å; D417-L419 VanDerWaalsContact C-N 3.29Å; L419-R421 PolarHBondContact O-N 3.43Å; L419-R422 WeakPolarHBondContact O-CA 3.47Å; L419-R422 VanDerWaalsContact O-CB 3.31Å; L419-R422 WeakPolarHBondContact O-CB 3.41Å; L419-R422 PolarHBondContact O-N 2.65Å; L419-E423 PolarHBondContact O-N 2.95Å; L419-F500 HydrophobicContact CD1-CD1 3.63Å; L419-F500 HydrophobicContact CD1-CE1 3.34Å; L419-F500 HydrophobicContact CD1-CG 4.38Å; L419-F500 HydrophobicContact CD1-CZ 3.88Å
420	S	66.8	Low	60.9	Low	53 Å²	53	89.6 Å²	89.6	37%	0.371	50%	0.495	S	S	.	.	H	α-helix	trans	-56.6	-51.7	179.6	52.5	0	0	0	0	112	A416 D417 R422 E423 D424	A416-S420 PolarHBondContact O-N 3.08Å; A416-S420 VanDerWaalsContact O-N 3.08Å; A416-S420 PolarHBondContact O-OG 2.93Å; D417-S420 PolarHBondContact O-OG 3.18Å; S420-R422 PolarHBondContact O-N 2.99Å; S420-E423 PolarHBondContact O-N 2.89Å; S420-D424 PolarHBondContact O-N 2.82Å
421	R	58.6	Low	58.2	Low	174 Å²	174	91.4 Å²	91.4	66%	0.657	51%	0.508	S	S	*	.	H	α-helix	trans	-57.4	-22.9	175.9	-67.4	179.1	-175.6	-151.8	2.3	114	D417 L419 E425	D417-R421 WeakPolarHBondContact O-CB 3.48Å; D417-R421 VanDerWaalsContact O-CG 3.29Å; D417-R421 WeakPolarHBondContact O-CG 3.35Å; D417-R421 PolarHBondContact O-N 3.13Å; L419-R421 PolarHBondContact O-N 3.43Å; R421-E425 PolarHBondContact O-N 2.97Å
422	R	54.3	Low	55.4	Low	117 Å²	117	94 Å²	94	44%	0.442	51%	0.513	S	S	.	.	H	α-helix	trans	-83.6	-15.7	-179.8	-157.1	177.4	-64	113.7	3.2	112.5	S418 L419 S420 I426	S418-R422 PolarHBondContact O-NH1 2.88Å; S418-R422 PolarHBondContact O-NH2 2.89Å; S418-R422 PolarHBondContact OG-NH2 3.32Å; L419-R422 WeakPolarHBondContact O-CA 3.47Å; L419-R422 VanDerWaalsContact O-CB 3.31Å; L419-R422 WeakPolarHBondContact O-CB 3.41Å; L419-R422 PolarHBondContact O-N 2.65Å; S420-R422 PolarHBondContact O-N 2.99Å; R422-I426 WeakPolarHBondContact O-CD1 3.42Å; R422-I426 WeakPolarHBondContact O-CG1 3.33Å
423	E	49.8	Very low	52.8	Low	104 Å²	104	103.2 Å²	103.2	49%	0.486	55%	0.547	S	S	.	.	H	α-helix	trans	-79.8	-40	167.7	-60.2	-166.3	110.1	0	0	110.9	L419 S420 E425 I426 L427	L419-E423 PolarHBondContact O-N 2.95Å; S420-E423 PolarHBondContact O-N 2.89Å; E423-E425 PolarHBondContact O-N 2.86Å; E423-I426 WeakPolarHBondContact O-CB 3.28Å; E423-I426 PolarHBondContact O-N 2.83Å; E423-I426 VanDerWaalsContact O-N 3.1Å; E423-L427 PolarHBondContact O-N 2.83Å
424	D	43.9	Very low	50.3	Low	92 Å²	92	103.9 Å²	103.9	49%	0.492	57%	0.572	S	S	.	*	H	α-helix	trans	-61.5	-41.9	177.5	-69.6	-49.3	0	0	0	113.2	S420 I426 L427 L428	S420-D424 PolarHBondContact O-N 2.82Å; D424-I426 PolarHBondContact O-N 3.08Å; D424-L427 PolarHBondContact O-N 3.04Å; D424-L427 VanDerWaalsContact O-N 3.16Å; D424-L428 PolarHBondContact O-N 2.98Å; D424-L428 VanDerWaalsContact O-N 3.15Å
425	E	42.1	Very low	47.7	Very low	152 Å²	152	107.4 Å²	107.4	71%	0.71	58%	0.582	S	S	*	*	H	α-helix	trans	-60.2	-32.4	174.3	-79.2	-162.5	129.5	0	0	112.7	R421 E423 G429	R421-E425 PolarHBondContact O-N 2.97Å; E423-E425 PolarHBondContact O-N 2.86Å; E425-G429 PolarHBondContact O-N 2.85Å
426	I	43.7	Very low	45.1	Very low	108 Å²	108	109.2 Å²	109.2	55%	0.554	60%	0.602	S	S	*	*	H	α-helix	trans	-74.3	-31.6	179	-66	171.6	0	0	0	110.9	R422 E423 D424	R422-I426 WeakPolarHBondContact O-CD1 3.42Å; R422-I426 WeakPolarHBondContact O-CG1 3.33Å; E423-I426 WeakPolarHBondContact O-CB 3.28Å; E423-I426 PolarHBondContact O-N 2.83Å; E423-I426 VanDerWaalsContact O-N 3.1Å; D424-I426 PolarHBondContact O-N 3.08Å
427	L	37	Very low	42.9	Very low	143 Å²	143	113.2 Å²	113.2	75%	0.749	63%	0.625	S	S	*	*	H	α-helix	trans	-76.4	-26.9	177.3	-90.7	152.8	0	0	0	114	E423 D424	E423-L427 PolarHBondContact O-N 2.83Å; D424-L427 PolarHBondContact O-N 3.04Å; D424-L427 VanDerWaalsContact O-N 3.16Å
428	L	32.8	Very low	40.6	Very low	148 Å²	148	117.3 Å²	117.3	78%	0.775	65%	0.646	S	S	*	*	H	α-helix	trans	-99.8	-11	-173.9	-70.2	168.3	0	0	0	115.2	D424 G430	D424-L428 PolarHBondContact O-N 2.98Å; D424-L428 VanDerWaalsContact O-N 3.15Å; L428-G430 PolarHBondContact O-N 2.95Å
429	G	28.6	Very low	38.3	Very low	70 Å²	70	122.3 Å²	122.3	72%	0.722	67%	0.669	S	S	*	*	S	Bend	trans	-83.6	-0.3	-170.2	0	0	0	0	0	118.4	E425	E425-G429 PolarHBondContact O-N 2.85Å
430	G	28.3	Very low	36.3	Very low	77 Å²	77	128.2 Å²	128.2	79%	0.794	70%	0.701	S	S	*	*			trans	-116.9	75.7	-158.5	0	0	0	0	0	118.5	L428	L428-G430 PolarHBondContact O-N 2.95Å
431	S	26.7	Very low	34.6	Very low	104 Å²	104	133.3 Å²	133.3	73%	0.727	72%	0.723	S	S	*	*			trans	-158.7	151.6	161	-155.5	0	0	0	0	115.1
432	H	28	Very low	33.1	Very low	159 Å²	159	130.2 Å²	130.2	74%	0.736	73%	0.725	S	S	*	*			trans	64.9	129.8	-173	-58.8	-66.4	0	0	0	115.3
433	Y	30	Very low	31.8	Very low	230 Å²	230	132 Å²	132	90%	0.902	74%	0.743	S	S	*	*			cis	-139.2	153.8	4.2	-83.6	-88.2	0	0	0	111.1
434	G	28.9	Very low	30.9	Very low	82 Å²	82	135.2 Å²	135.2	85%	0.845	76%	0.758	S	S	*	*			trans	144.7	129.3	164.6	0	0	0	0	0	113.1
435	H	27.3	Very low	30.1	Very low	162 Å²	162	137.6 Å²	137.6	75%	0.75	78%	0.776	S	S	*	*			trans	-138.5	117.5	-168.6	174.1	-73.8	0	0	0	113.5
436	T	26.7	Very low	29.4	Very low	140 Å²	140	133.2 Å²	133.2	86%	0.859	77%	0.771	S	S	*	*			trans	-152.5	94.3	161.4	7.4	0	0	0	0	112.8
437	T	29.5	Very low	28.8	Very low	105 Å²	105	133.2 Å²	133.2	64%	0.644	78%	0.776	S	S	*	*			trans	-0.3	125.8	155.8	56	0	0	0	0	120.6
438	L	27	Very low	28.7	Very low	176 Å²	176	132.5 Å²	132.5	92%	0.921	78%	0.777	S	S	*	*				-162.6	165.6	123.9	-108.9	163.3	0	0	0	111.2
439	N	25.9	Very low	28.7	Very low	141 Å²	141	132.9 Å²	132.9	75%	0.754	78%	0.781	S	S	*	*			trans	-99.6	162.7	-160.3	-68.8	-22.2	0	0	0	115.7
440	N	27.3	Very low	28.8	Very low	155 Å²	155	137 Å²	137	83%	0.829	78%	0.781	S	S	*	*			trans	72.5	92.7	158.4	-64.7	-1.3	0	0	0	119.8
441	I	29.6	Very low	29.2	Very low	161 Å²	161	138 Å²	138	83%	0.826	77%	0.771	S	S	*	*			trans	-138.4	137.4	143.3	-58.5	-176.6	0	0	0	107.7
442	P	29.1	Very low	29.5	Very low	109 Å²	109	140.7 Å²	140.7	71%	0.708	78%	0.778	S	S	*	*			trans	-83.9	160	179.8	33.9	-35.9	0	0	0	114
443	N	26.4	Very low	29.5	Very low	153 Å²	153	139.3 Å²	139.3	82%	0.818	78%	0.776	S	S	*	*			trans	-62.7	135.3	-179.7	-63.7	-11.3	0	0	0	113.3
444	H	29.5	Very low	29.7	Very low	172 Å²	172	135.4 Å²	135.4	80%	0.796	77%	0.769	S	S	*	*			trans	-137.2	71.8	162.9	-99.8	-86.2	0	0	0	111.5
445	T	28.2	Very low	29.7	Very low	142 Å²	142	137.3 Å²	137.3	87%	0.871	77%	0.769	S	S	*	*			trans	-93.1	99.5	164.3	50.5	0	0	0	0	108.7
446	G	27.7	Very low	29.8	Very low	60 Å²	60	133.7 Å²	133.7	62%	0.619	76%	0.762	S	S	*	*			trans	167	52.2	-178	0	0	0	0	0	115.5
447	V	31.3	Very low	29.9	Very low	108 Å²	108	136.5 Å²	136.5	66%	0.655	77%	0.765	S	S	*	*	S	Bend	trans	-132.3	-25.5	177.8	-176.3	0	0	0	0	112.9
448	V	34.7	Very low	29.8	Very low	128 Å²	128	135.4 Å²	135.4	78%	0.776	78%	0.775	S	S	*	*	G	3₁₀ helix	trans	-74.1	-32.9	-173.3	-173.2	0	0	0	0	113	Q450	V448-Q450 PolarHBondContact O-N 3.21Å; V448-Q450 VanDerWaalsContact O-N 3.12Å
449	D	31.3	Very low	29.8	Very low	157 Å²	157	131.6 Å²	131.6	84%	0.84	77%	0.769	S	S	*	*	G	3₁₀ helix	trans	-77.3	8.6	-174.1	-59.2	-50.3	0	0	0	115.5
450	Q	31.7	Very low	29.8	Very low	155 Å²	155	131.2 Å²	131.2	72%	0.724	77%	0.772	S	S	*	*	G	3₁₀ helix	trans	-113.5	-5.6	-174.7	-81.2	-168.2	-18.1	0	0	116.4	V448	V448-Q450 PolarHBondContact O-N 3.21Å; V448-Q450 VanDerWaalsContact O-N 3.12Å
451	V	36.3	Very low	30.1	Very low	98 Å²	98	131.3 Å²	131.3	59%	0.594	77%	0.772	S	S	*	*	S	Bend	trans	-83	-37.8	-178.4	-175.7	0	0	0	0	112.3	N453	V451-N453 PolarHBondContact O-N 3.07Å
452	N	32.9	Very low	30	Very low	162 Å²	162	128.8 Å²	128.8	87%	0.866	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	27.6	-173.4	-68.5	-7.1	0	0	0	115
453	N	29.3	Very low	29.8	Very low	130 Å²	130	127.8 Å²	127.8	70%	0.695	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.1	21.6	-175.3	-140.7	-9.9	0	0	0	114.1	V451	V451-N453 PolarHBondContact O-N 3.07Å
454	I	33.1	Very low	29.8	Very low	148 Å²	148	123.8 Å²	123.8	76%	0.759	77%	0.773	S	S	*	*	S	Bend	trans	-128.3	48.8	177.9	-41.7	-177	0	0	0	110.8
455	S	29.8	Very low	29.8	Very low	121 Å²	121	122.5 Å²	122.5	85%	0.846	78%	0.777	S	S	*	*	S	Bend	trans	-132.4	20.3	177.2	-54.1	0	0	0	0	113.4
456	S	28.4	Very low	29.8	Very low	87 Å²	87	122.1 Å²	122.1	61%	0.608	78%	0.775	S	S	*	*	S	Bend	trans	-138.7	29.3	-168.5	55.3	0	0	0	0	114.8
457	Q	28.2	Very low	30.4	Very low	198 Å²	198	125 Å²	125	93%	0.925	78%	0.783	S	S	*	*			trans	-160.4	105.2	167.3	-115	153.2	93.2	0	0	110.8
458	G	28.4	Very low	30.2	Very low	82 Å²	82	124.2 Å²	124.2	85%	0.845	79%	0.787	S	S	*	*			trans	-170.3	12.6	-175	0	0	0	0	0	117.4
459	A	26.6	Very low	30	Very low	96 Å²	96	125.5 Å²	125.5	79%	0.793	79%	0.79	S	S	*	*			trans	-102.5	81.2	-175.3	0	0	0	0	0	112.6
460	T	26.8	Very low	29.8	Very low	134 Å²	134	122.4 Å²	122.4	82%	0.822	79%	0.786	S	S	*	*			trans	-170.3	154.2	155.3	12.2	0	0	0	0	112.4
461	L	32.4	Very low	29.5	Very low	157 Å²	157	124 Å²	124	82%	0.822	79%	0.794	S	S	*	*			trans	70.8	78.1	164.1	-64.5	167.7	0	0	0	119.4
462	S	27.6	Very low	29.1	Very low	107 Å²	107	128.5 Å²	128.5	75%	0.748	81%	0.811	S	S	*	*				49.8	100	119.3	63.5	0	0	0	0	121.2
463	G	25.7	Very low	28.9	Very low	88 Å²	88	126 Å²	126	91%	0.907	81%	0.812	S	S	*	*				68.6	122	113.8	0	0	0	0	0	121.3
464	G	26.2	Very low	28.7	Very low	70 Å²	70	124.3 Å²	124.3	72%	0.722	82%	0.817	S	S	*	*			trans	160.6	89.3	162.2	0	0	0	0	0	116.9
465	T	28.9	Very low	28.5	Very low	144 Å²	144	123.8 Å²	123.8	88%	0.883	82%	0.821	S	S	*	*			trans	39.7	111.7	152	51.9	0	0	0	0	121.3
466	T	27.9	Very low	28.5	Very low	135 Å²	135	125 Å²	125	83%	0.828	82%	0.823	S	S	*	*			trans	-83.5	174.4	139.1	19.5	0	0	0	0	110.8
467	P	40.6	Very low	28.4	Very low	120 Å²	120	124.9 Å²	124.9	78%	0.779	83%	0.827	S	S	*	*			cis	-131.5	167.7	-19.1	36.9	-21.7	0	0	0	114.2
468	A	27.7	Very low	28.3	Very low	91 Å²	91	123.7 Å²	123.7	75%	0.752	82%	0.822	S	S	*	*			trans	-178.4	142.5	138.5	0	0	0	0	0	114.8
469	N	29.9	Very low	28.5	Very low	156 Å²	156	128.5 Å²	128.5	83%	0.834	82%	0.821	S	S	*	*			trans	46.8	110.5	148.7	-64.9	-7.4	0	0	0	122.6
470	A	27.2	Very low	28.6	Very low	92 Å²	92	133 Å²	133	76%	0.76	82%	0.823	S	S	*	*				32.9	145.5	111.2	0	0	0	0	0	121.9
471	Q	26.5	Very low	28.7	Very low	189 Å²	189	132.8 Å²	132.8	88%	0.883	83%	0.826	S	S	*	*			trans	84.1	73.1	169.9	-54.4	-173.7	-2.2	0	0	118.1
472	M	27.6	Very low	28.5	Very low	192 Å²	192	132.4 Å²	132.4	95%	0.946	82%	0.823	S	S	*	*			trans	-167.2	106.1	133.5	-110.5	-164.2	-61.8	0	0	112.1
473	A	28.6	Very low	28.7	Very low	108 Å²	108	134 Å²	134	89%	0.893	82%	0.823	S	S	*	*			trans	-166.3	44.2	167.2	0	0	0	0	0	112.5
474	A	25	Very low	29.2	Very low	96 Å²	96	136.9 Å²	136.9	79%	0.793	82%	0.818	S	S	*	*			trans	-115.7	60.8	-173.8	0	0	0	0	0	113.2
475	T	28.4	Very low	29.9	Very low	137 Å²	137	140.4 Å²	140.4	84%	0.84	83%	0.825	S	S	*	*			trans	-169.5	88.3	161.7	31.9	0	0	0	0	112.6
476	T	30.3	Very low	30.6	Very low	147 Å²	147	138.7 Å²	138.7	90%	0.902	82%	0.815	S	S	*	*			trans	-153.9	100.2	143	-65.8	0	0	0	0	106.7
477	A	26.4	Very low	31.6	Very low	83 Å²	83	136 Å²	136	69%	0.686	80%	0.795	S	S	*	*			trans	-98.3	166.8	171.9	0	0	0	0	0	109.7
478	E	26.7	Very low	32.3	Very low	174 Å²	174	134.3 Å²	134.3	81%	0.813	78%	0.784	S	S	*	*			trans	65.9	80.9	168.7	-56.3	-176.6	-170.3	0	0	116.2
479	H	31.1	Very low	33.4	Very low	182 Å²	182	139.3 Å²	139.3	84%	0.843	79%	0.785	S	S	*	*	S	Bend		-167.6	144.4	97.7	-101.7	-71.7	0	0	0	113.6
480	K	30.2	Very low	34.8	Very low	190 Å²	190	134.8 Å²	134.8	83%	0.826	76%	0.761	S	S	*	*			trans	57.1	98.2	170.8	-76.7	-172.2	172	-177.1	0	117.9
481	C	27.2	Very low	36.3	Very low	130 Å²	130	134.3 Å²	134.3	88%	0.878	75%	0.75	S	S	*	*			trans	-72.1	127.8	145	-48.4	0	0	0	0	109.7
482	I	29.9	Very low	37.9	Very low	149 Å²	149	132.7 Å²	132.7	76%	0.764	74%	0.74	S	S	*	*			trans	-130.7	146.1	143	-66.5	-174.4	0	0	0	105.5	D484	I482-D484 PolarHBondContact O-N 2.78Å
483	N	30	Very low	40.1	Very low	141 Å²	141	125.3 Å²	125.3	75%	0.754	70%	0.704	S	S	*	*			trans	-61.1	134.4	-177.6	-48.6	-29.7	0	0	0	110.8
484	D	36.3	Very low	42.2	Very low	148 Å²	148	125.3 Å²	125.3	79%	0.791	69%	0.693	S	S	*	*				-151.4	135.9	109.1	-96	-33.6	0	0	0	110.1	I482 T486	I482-D484 PolarHBondContact O-N 2.78Å; D484-T486 PolarHBondContact O-N 3.24Å
485	V	41.8	Very low	44.4	Very low	145 Å²	145	127.7 Å²	127.7	88%	0.879	69%	0.688	S	S	*	*			trans	-93.5	82.7	171.2	-179.6	0	0	0	0	106.3	N487	V485-N487 PolarHBondContact O-N 2.9Å; V485-N487 VanDerWaalsContact O-N 3.08Å
486	T	44.6	Very low	46.6	Very low	108 Å²	108	123 Å²	123	66%	0.663	66%	0.659	S	S	*	*			trans	-60.4	112.8	175	38.9	0	0	0	0	109.1	D484 P488	D484-T486 PolarHBondContact O-N 3.24Å; T486-P488 WeakPolarHBondContact O-CD 3.09Å
487	N	48.5	Very low	48.6	Very low	77 Å²	77	117.9 Å²	117.9	41%	0.412	63%	0.626	S	S	.	*			trans	-64.5	123.2	175.9	167	25.6	0	0	0	108.3	V485 Y489 D490	V485-N487 PolarHBondContact O-N 2.9Å; V485-N487 VanDerWaalsContact O-N 3.08Å; N487-Y489 PolarHBondContact O-N 2.74Å; N487-Y489 PolarHBondContact OD1-N 2.9Å; N487-D490 HydrophobicContact CB-CB 4.18Å; N487-D490 PolarHBondContact ND2-N 3.06Å; N487-D490 WeakPolarHBondContact O-CB 3.27Å; N487-D490 PolarHBondContact O-N 3.5Å
488	P	54.8	Low	50.9	Low	85 Å²	85	119.2 Å²	119.2	55%	0.552	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	-14.4	179.9	25.7	-34.5	0	0	0	113.2	T486 T496	T486-P488 WeakPolarHBondContact O-CD 3.09Å; P488-T496 VanDerWaalsContact O-CG2 3.31Å; P488-T496 WeakPolarHBondContact O-CG2 3.49Å; P488-T496 PolarHBondContact O-OG1 2.97Å
489	Y	50.3	Low	53.5	Low	197 Å²	197	117.6 Å²	117.6	77%	0.773	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.8	16.5	173.2	-53.7	-79.6	0	0	0	113.5	N487 P491	N487-Y489 PolarHBondContact O-N 2.74Å; N487-Y489 PolarHBondContact OD1-N 2.9Å; Y489-P491 WeakPolarHBondContact O-CD 3.24Å
490	D	60.5	Low	55.8	Low	60 Å²	60	111.4 Å²	111.4	32%	0.321	58%	0.579	S	S	.	*			trans	-75.9	118.2	171.6	-163.3	-31	0	0	0	109.6	N487 K492 N493	N487-D490 HydrophobicContact CB-CB 4.18Å; N487-D490 PolarHBondContact ND2-N 3.06Å; N487-D490 WeakPolarHBondContact O-CB 3.27Å; N487-D490 PolarHBondContact O-N 3.5Å; D490-K492 PolarHBondContact O-N 2.86Å; D490-K492 VanDerWaalsContact O-N 3.09Å; D490-K492 VanDerWaalsContact OD1-CB 3.28Å; D490-K492 WeakPolarHBondContact OD1-CB 3.26Å; D490-K492 WeakPolarHBondContact OD1-CG 3.36Å; D490-K492 PolarHBondContact OD1-N 2.82Å; D490-N493 PolarHBondContact O-N 2.88Å
491	P	58.1	Low	58.1	Low	82 Å²	82	106.6 Å²	106.6	53%	0.532	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.7	-10.1	176.3	28.6	-36.3	0	0	0	113.4	Y489	Y489-P491 WeakPolarHBondContact O-CD 3.24Å
492	K	59.9	Low	60.7	Low	155 Å²	155	105.8 Å²	105.8	67%	0.674	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-7.9	172.9	-58	-179.4	178.9	-174.4	0	113.7	D490 V494	D490-K492 PolarHBondContact O-N 2.86Å; D490-K492 VanDerWaalsContact O-N 3.09Å; D490-K492 VanDerWaalsContact OD1-CB 3.28Å; D490-K492 WeakPolarHBondContact OD1-CB 3.26Å; D490-K492 WeakPolarHBondContact OD1-CG 3.36Å; D490-K492 PolarHBondContact OD1-N 2.82Å; K492-V494 PolarHBondContact O-N 2.84Å
493	N	73.2	Confident	63.3	Low	37 Å²	37	103.6 Å²	103.6	20%	0.198	53%	0.533	C	S	.	.			trans	-77.1	119.5	171	-178.6	17	0	0	0	109.5	D490 E495 T496 L497	D490-N493 PolarHBondContact O-N 2.88Å; N493-E495 PolarHBondContact ND2-OE2 3.43Å; N493-E495 PolarHBondContact O-N 3.3Å; N493-E495 PolarHBondContact OD1-N 2.87Å; N493-T496 PolarHBondContact ND2-OG1 2.97Å; N493-T496 PolarHBondContact O-N 2.97Å; N493-L497 PolarHBondContact O-N 3.27Å
494	V	73	Confident	65.9	Low	108 Å²	108	99.6 Å²	99.6	66%	0.655	51%	0.508	S	S	*	.	H	α-helix	trans	-53.9	-38.5	177.5	-177.6	0	0	0	0	111.4	K492 L497 H498	K492-V494 PolarHBondContact O-N 2.84Å; V494-L497 PolarHBondContact O-N 2.9Å; V494-H498 VanDerWaalsContact O-CB 3.3Å; V494-H498 WeakPolarHBondContact O-CB 3.39Å; V494-H498 PolarHBondContact O-N 3.16Å
495	E	72.2	Confident	68.2	Low	147 Å²	147	97.9 Å²	97.9	69%	0.687	49%	0.494	S	S	*	.	H	α-helix	trans	-68.8	-37.2	178.9	-54.2	172.9	137.8	0	0	112.2	N493 K499	N493-E495 PolarHBondContact ND2-OE2 3.43Å; N493-E495 PolarHBondContact O-N 3.3Å; N493-E495 PolarHBondContact OD1-N 2.87Å; E495-K499 VanDerWaalsContact O-CB 3.24Å; E495-K499 WeakPolarHBondContact O-CB 3.16Å; E495-K499 PolarHBondContact O-N 3.44Å; E495-K499 VanDerWaalsContact O-N 3.09Å
496	T	73.3	Confident	70.5	Confident	38 Å²	38	95.8 Å²	95.8	23%	0.233	48%	0.477	C	S	.	.	H	α-helix	trans	-70.1	-39.1	176.6	-58	0	0	0	0	110.8	P488 N493 F500	P488-T496 VanDerWaalsContact O-CG2 3.31Å; P488-T496 WeakPolarHBondContact O-CG2 3.49Å; P488-T496 PolarHBondContact O-OG1 2.97Å; N493-T496 PolarHBondContact ND2-OG1 2.97Å; N493-T496 PolarHBondContact O-N 2.97Å; T496-F500 PolarHBondContact O-N 3.08Å
497	L	73.2	Confident	72.7	Confident	39 Å²	39	93.4 Å²	93.4	20%	0.204	46%	0.459	C	S	.	.	H	α-helix	trans	-65.3	-48.8	173.7	-179.8	64	0	0	0	111.7	N493 V494 K499 F500 L501	N493-L497 PolarHBondContact O-N 3.27Å; V494-L497 PolarHBondContact O-N 2.9Å; L497-K499 VanDerWaalsContact C-N 3.27Å; L497-K499 PolarHBondContact O-N 2.79Å; L497-F500 WeakPolarHBondContact O-CB 3.37Å; L497-F500 PolarHBondContact O-N 2.85Å; L497-F500 VanDerWaalsContact O-N 3.07Å; L497-L501 HydrophobicContact CD1-CD1 4.45Å; L497-L501 HydrophobicContact CD1-CG 4.48Å; L497-L501 HydrophobicContact CG-CD1 4.16Å; L497-L501 WeakPolarHBondContact O-CG 3.16Å; L497-L501 PolarHBondContact O-N 2.95Å
498	H	75.4	Confident	74.6	Confident	111 Å²	111	90.6 Å²	90.6	51%	0.514	45%	0.446	S	S	.	.	H	α-helix	trans	-60.6	-39.2	-179.2	-154.7	-58.6	0	0	0	111.7	V494 L501 E502	V494-H498 VanDerWaalsContact O-CB 3.3Å; V494-H498 WeakPolarHBondContact O-CB 3.39Å; V494-H498 PolarHBondContact O-N 3.16Å; H498-L501 PolarHBondContact O-N 2.81Å; H498-E502 PolarHBondContact O-N 3.32Å; H498-E502 VanDerWaalsContact O-N 3.07Å
499	K	79.8	Confident	76.3	Confident	140 Å²	140	91.6 Å²	91.6	61%	0.609	44%	0.444	S	S	*	.	H	α-helix	trans	-71.7	-29.9	175.9	-165.1	168	-166.6	164.6	0	113.3	E495 L497 I503	E495-K499 VanDerWaalsContact O-CB 3.24Å; E495-K499 WeakPolarHBondContact O-CB 3.16Å; E495-K499 PolarHBondContact O-N 3.44Å; E495-K499 VanDerWaalsContact O-N 3.09Å; L497-K499 VanDerWaalsContact C-N 3.27Å; L497-K499 PolarHBondContact O-N 2.79Å; K499-I503 WeakPolarHBondContact O-CD1 3.28Å; K499-I503 VanDerWaalsContact O-CG1 3.31Å; K499-I503 WeakPolarHBondContact O-CG1 3.5Å; K499-I503 PolarHBondContact O-N 3.01Å
500	F	79.5	Confident	78.4	Confident	53 Å²	53	89.2 Å²	89.2	23%	0.232	43%	0.433	C	S	.	.	H	α-helix	trans	-68.5	-41.4	168.8	175.7	-93.8	0	0	0	111.5	F415 L419 T496 L497 E502 I503 Y504	F415-F500 HydrophobicContact CD1-CE1 4.39Å; F415-F500 HydrophobicContact CD1-CE2 4.04Å; F415-F500 AromaticContact CD1-CZ 3.57Å; F415-F500 HydrophobicContact CD1-CZ 3.57Å; F415-F500 HydrophobicContact CE1-CD2 4.49Å; F415-F500 HydrophobicContact CE1-CE1 4.33Å; F415-F500 AromaticContact CE1-CE2 3.63Å; F415-F500 HydrophobicContact CE1-CE2 3.63Å; F415-F500 AromaticContact CE1-CZ 3.56Å; F415-F500 HydrophobicContact CE1-CZ 3.56Å; L419-F500 HydrophobicContact CD1-CD1 3.63Å; L419-F500 HydrophobicContact CD1-CE1 3.34Å; L419-F500 HydrophobicContact CD1-CG 4.38Å; L419-F500 HydrophobicContact CD1-CZ 3.88Å; T496-F500 PolarHBondContact O-N 3.08Å; L497-F500 WeakPolarHBondContact O-CB 3.37Å; L497-F500 PolarHBondContact O-N 2.85Å; L497-F500 VanDerWaalsContact O-N 3.07Å; F500-E502 PolarHBondContact O-N 3.1Å; F500-I503 PolarHBondContact O-N 3.2Å; F500-Y504 WeakPolarHBondContact O-CB 3.45Å; F500-Y504 PolarHBondContact O-N 3.41Å
501	L	78.9	Confident	79.9	Confident	88 Å²	88	87.2 Å²	87.2	46%	0.461	42%	0.422	S	S	.	.	H	α-helix	trans	-65.7	-35.6	179.8	-70.1	170.3	0	0	0	112.8	L497 H498 K505	L497-L501 HydrophobicContact CD1-CD1 4.45Å; L497-L501 HydrophobicContact CD1-CG 4.48Å; L497-L501 HydrophobicContact CG-CD1 4.16Å; L497-L501 WeakPolarHBondContact O-CG 3.16Å; L497-L501 PolarHBondContact O-N 2.95Å; H498-L501 PolarHBondContact O-N 2.81Å; L501-K505 WeakPolarHBondContact O-CB 3.15Å; L501-K505 PolarHBondContact O-N 3.34Å
502	E	81.1	Confident	81.5	Confident	113 Å²	113	84.4 Å²	84.4	53%	0.528	40%	0.402	S	S	.	.	H	α-helix	trans	-59.9	-52.4	168.6	-73.3	-178.5	140.7	0	0	111.4	H498 F500 Y504 K505 D506	H498-E502 PolarHBondContact O-N 3.32Å; H498-E502 VanDerWaalsContact O-N 3.07Å; F500-E502 PolarHBondContact O-N 3.1Å; E502-Y504 VanDerWaalsContact C-N 3.3Å; E502-Y504 PolarHBondContact O-N 3.2Å; E502-K505 PolarHBondContact O-N 3.21Å; E502-K505 VanDerWaalsContact O-N 3.15Å; E502-D506 PolarHBondContact O-N 2.74Å
503	I	84.2	Confident	83.2	Confident	103 Å²	103	80.3 Å²	80.3	53%	0.528	39%	0.39	S	S	.	.	H	α-helix	trans	-61.4	-38.7	179.7	-66.4	166.8	0	0	0	111.7	K499 F500 E507	K499-I503 WeakPolarHBondContact O-CD1 3.28Å; K499-I503 VanDerWaalsContact O-CG1 3.31Å; K499-I503 WeakPolarHBondContact O-CG1 3.5Å; K499-I503 PolarHBondContact O-N 3.01Å; F500-I503 PolarHBondContact O-N 3.2Å; I503-E507 WeakPolarHBondContact O-CB 3.12Å; I503-E507 PolarHBondContact O-N 2.83Å
504	Y	85.7	Confident	84.2	Confident	57 Å²	57	81 Å²	81	22%	0.224	40%	0.396	C	S	.	.	H	α-helix	trans	-60.9	-48.5	174.3	172.4	-94.2	0	0	0	111.4	L412 A416 F500 E502 A508	L412-Y504 HydrophobicContact CB-CE2 4.4Å; L412-Y504 HydrophobicContact CD2-CD2 3.87Å; L412-Y504 HydrophobicContact CD2-CE2 3.93Å; L412-Y504 HydrophobicContact CG-CD2 3.72Å; L412-Y504 HydrophobicContact CG-CE2 3.78Å; A416-Y504 HydrophobicContact CB-CD2 3.91Å; A416-Y504 HydrophobicContact CB-CE2 3.52Å; F500-Y504 WeakPolarHBondContact O-CB 3.45Å; F500-Y504 PolarHBondContact O-N 3.41Å; E502-Y504 VanDerWaalsContact C-N 3.3Å; E502-Y504 PolarHBondContact O-N 3.2Å; Y504-A508 WeakPolarHBondContact O-CB 3.44Å; Y504-A508 PolarHBondContact O-N 3.32Å
505	K	85.3	Confident	85.3	Confident	112 Å²	112	77 Å²	77	49%	0.487	37%	0.371	S	S	.	.	H	α-helix	trans	-61	-50.2	179.2	-178.1	-170.7	167.9	-75.3	0	110.9	L501 E502 E507 A508 E509	L501-K505 WeakPolarHBondContact O-CB 3.15Å; L501-K505 PolarHBondContact O-N 3.34Å; E502-K505 PolarHBondContact O-N 3.21Å; E502-K505 VanDerWaalsContact O-N 3.15Å; K505-E507 PolarHBondContact O-N 3.05Å; K505-A508 PolarHBondContact O-N 3.28Å; K505-E509 IonicContact NZ-OE2 3.89Å; K505-E509 PolarHBondContact NZ-OE2 3.38Å; K505-E509 WeakPolarHBondContact O-CB 3.38Å; K505-E509 PolarHBondContact O-N 2.8Å
506	D	89.1	Confident	86.3	Confident	101 Å²	101	75.9 Å²	75.9	54%	0.54	37%	0.367	S	S	.	.	H	α-helix	trans	-63.2	-42.4	-176.3	-73.4	-0	0	0	0	111.9	E502 R510	E502-D506 PolarHBondContact O-N 2.74Å; D506-R510 WeakPolarHBondContact O-CB 3.25Å; D506-R510 PolarHBondContact O-N 3.1Å
507	E	90.4	Very high	87.4	Confident	59 Å²	59	77.9 Å²	77.9	28%	0.276	38%	0.376	S	S	.	.	H	α-helix	trans	-76	-28.8	179.4	-163.5	68	-153.9	0	0	112.2	L412 I503 K505 R510 F511	L412-E507 HydrophobicContact CD2-CB 4.22Å; I503-E507 WeakPolarHBondContact O-CB 3.12Å; I503-E507 PolarHBondContact O-N 2.83Å; K505-E507 PolarHBondContact O-N 3.05Å; E507-R510 IonicContact OE1-CZ 3.66Å; E507-R510 IonicContact OE1-NH1 2.68Å; E507-R510 PolarHBondContact OE1-NH1 3.11Å; E507-R510 IonicContact OE2-NH1 3.82Å; E507-R510 PolarHBondContact OE2-NH1 3.4Å; E507-F511 HydrophobicContact CG-CD2 4.38Å; E507-F511 HydrophobicContact CG-CE2 3.75Å; E507-F511 HydrophobicContact CG-CZ 3.87Å; E507-F511 WeakPolarHBondContact O-CD2 3.38Å; E507-F511 WeakPolarHBondContact O-CG 3.47Å; E507-F511 PolarHBondContact O-N 3Å; E507-F511 WeakPolarHBondContact OE1-CZ 3.19Å
508	A	88.4	Confident	88.5	Confident	18 Å²	18	76 Å²	76	15%	0.149	37%	0.367	C	S	.	.	H	α-helix	trans	-67.4	-53.3	170.2	0	0	0	0	0	111.5	L412 Y504 K505 R510 F511 D512	L412-A508 HydrophobicContact CD2-CB 4.04Å; Y504-A508 WeakPolarHBondContact O-CB 3.44Å; Y504-A508 PolarHBondContact O-N 3.32Å; K505-A508 PolarHBondContact O-N 3.28Å; A508-R510 PolarHBondContact O-N 3.31Å; A508-F511 PolarHBondContact O-N 2.87Å; A508-D512 PolarHBondContact O-N 3.36Å; A508-D512 VanDerWaalsContact O-OD1 3.06Å
509	E	91.3	Very high	89.5	Confident	106 Å²	106	73 Å²	73	50%	0.495	36%	0.356	S	S	.	.	H	α-helix	trans	-56.5	-35.2	177.5	-168.9	170.2	160.3	0	0	111.5	K505 T513	K505-E509 IonicContact NZ-OE2 3.89Å; K505-E509 PolarHBondContact NZ-OE2 3.38Å; K505-E509 WeakPolarHBondContact O-CB 3.38Å; K505-E509 PolarHBondContact O-N 2.8Å; E509-T513 WeakPolarHBondContact O-CB 3.49Å; E509-T513 PolarHBondContact O-N 3.09Å; E509-T513 PolarHBondContact O-OG1 2.81Å
510	R	93.5	Very high	90.3	Very high	146 Å²	146	71.7 Å²	71.7	55%	0.551	35%	0.352	S	S	*	.	H	α-helix	trans	-66.3	-44.3	170.6	-177.2	-176.9	-177.4	-133.7	-1.1	113.9	D506 E507 A508 V514	D506-R510 WeakPolarHBondContact O-CB 3.25Å; D506-R510 PolarHBondContact O-N 3.1Å; E507-R510 IonicContact OE1-CZ 3.66Å; E507-R510 IonicContact OE1-NH1 2.68Å; E507-R510 PolarHBondContact OE1-NH1 3.11Å; E507-R510 IonicContact OE2-NH1 3.82Å; E507-R510 PolarHBondContact OE2-NH1 3.4Å; A508-R510 PolarHBondContact O-N 3.31Å; R510-V514 VanDerWaalsContact O-CG2 3.32Å; R510-V514 WeakPolarHBondContact O-CG2 3.45Å; R510-V514 PolarHBondContact O-N 2.86Å
511	F	93.2	Very high	91.2	Very high	19 Å²	19	71.1 Å²	71.1	8%	0.083	35%	0.35	C	S	.	.	H	α-helix	trans	-66.7	-38.7	176.2	-71.2	-39.7	0	0	0	111.9	T405 Q408 R409 L412 E507 A508 V514 L515	T405-F511 HydrophobicContact CG2-CB 4Å; T405-F511 HydrophobicContact CG2-CD1 3.78Å; T405-F511 HydrophobicContact CG2-CG 4.21Å; Q408-F511 HydrophobicContact CB-CD1 4.43Å; Q408-F511 HydrophobicContact CB-CE1 3.86Å; Q408-F511 HydrophobicContact CB-CE2 3.96Å; Q408-F511 HydrophobicContact CB-CZ 3.62Å; R409-F511 HydrophobicContact CB-CB 4.29Å; R409-F511 HydrophobicContact CB-CD2 4.3Å; L412-F511 HydrophobicContact CD2-CD2 4.33Å; L412-F511 HydrophobicContact CD2-CE2 4.27Å; E507-F511 HydrophobicContact CG-CD2 4.38Å; E507-F511 HydrophobicContact CG-CE2 3.75Å; E507-F511 HydrophobicContact CG-CZ 3.87Å; E507-F511 WeakPolarHBondContact O-CD2 3.38Å; E507-F511 WeakPolarHBondContact O-CG 3.47Å; E507-F511 PolarHBondContact O-N 3Å; E507-F511 WeakPolarHBondContact OE1-CZ 3.19Å; A508-F511 PolarHBondContact O-N 2.87Å; F511-V514 PolarHBondContact O-N 3.43Å; F511-L515 WeakPolarHBondContact O-CB 3.44Å; F511-L515 VanDerWaalsContact O-CG 3.29Å; F511-L515 WeakPolarHBondContact O-CG 3.47Å; F511-L515 PolarHBondContact O-N 3.02Å
512	D	91.8	Very high	92	Very high	23 Å²	23	67.2 Å²	67.2	12%	0.123	33%	0.33	C	S	.	.	H	α-helix	trans	-62.6	-45.5	176.6	-76.9	44.5	0	0	0	111.3	R409 A508 V514 L515 M516	R409-D512 VanDerWaalsContact CZ-CG 3.44Å; R409-D512 IonicContact CZ-OD1 3.41Å; R409-D512 IonicContact CZ-OD2 3.7Å; R409-D512 IonicContact NE-OD1 3.75Å; R409-D512 IonicContact NH1-OD1 2.61Å; R409-D512 PolarHBondContact NH1-OD1 2.93Å; R409-D512 IonicContact NH1-OD2 2.75Å; R409-D512 PolarHBondContact NH1-OD2 2.79Å; R409-D512 IonicContact NH2-OD1 3.93Å; R409-D512 PolarHBondContact NH2-OD1 3.09Å; R409-D512 IonicContact NH2-OD2 2.8Å; R409-D512 PolarHBondContact NH2-OD2 3.14Å; A508-D512 PolarHBondContact O-N 3.36Å; A508-D512 VanDerWaalsContact O-OD1 3.06Å; D512-V514 PolarHBondContact O-N 3.42Å; D512-L515 PolarHBondContact O-N 3.09Å; D512-M516 PolarHBondContact O-N 2.96Å
513	T	94.8	Very high	92.7	Very high	69 Å²	69	64.6 Å²	64.6	42%	0.423	32%	0.317	S	S	.	.	H	α-helix	trans	-58.6	-49.3	173.4	-54.1	0	0	0	0	111.1	E509 L515 M516 D517	E509-T513 WeakPolarHBondContact O-CB 3.49Å; E509-T513 PolarHBondContact O-N 3.09Å; E509-T513 PolarHBondContact O-OG1 2.81Å; T513-L515 VanDerWaalsContact C-N 3.29Å; T513-L515 PolarHBondContact O-N 2.87Å; T513-M516 PolarHBondContact O-N 2.67Å; T513-D517 VanDerWaalsContact O-CG 3.27Å; T513-D517 PolarHBondContact O-N 2.87Å
514	V	95.4	Very high	93.3	Very high	52 Å²	52	65.2 Å²	65.2	32%	0.315	32%	0.318	S	S	.	.	H	α-helix	trans	-63.5	-33.6	178.9	170.2	0	0	0	0	112.1	T405 R510 F511 D512 T518	T405-V514 HydrophobicContact CG2-CB 4.3Å; T405-V514 HydrophobicContact CG2-CG1 4Å; R510-V514 VanDerWaalsContact O-CG2 3.32Å; R510-V514 WeakPolarHBondContact O-CG2 3.45Å; R510-V514 PolarHBondContact O-N 2.86Å; F511-V514 PolarHBondContact O-N 3.43Å; D512-V514 PolarHBondContact O-N 3.42Å; V514-T518 VanDerWaalsContact O-CB 3.25Å; V514-T518 WeakPolarHBondContact O-CB 3.37Å; V514-T518 PolarHBondContact O-N 3.37Å; V514-T518 VanDerWaalsContact O-N 3.12Å; V514-T518 PolarHBondContact O-OG1 3.31Å
515	L	94.5	Very high	93.9	Very high	23 Å²	23	63.1 Å²	63.1	12%	0.12	31%	0.311	C	S	.	.	H	α-helix	trans	-66.9	-44.9	174.1	-76.7	166.2	0	0	0	111.3	I402 T405 E406 F511 D512 T513 T518 T519	I402-L515 HydrophobicContact CG2-CD2 4.02Å; T405-L515 HydrophobicContact CG2-CD1 4.37Å; T405-L515 HydrophobicContact CG2-CD2 4.05Å; T405-L515 HydrophobicContact CG2-CG 3.76Å; E406-L515 HydrophobicContact CG-CD2 3.78Å; F511-L515 WeakPolarHBondContact O-CB 3.44Å; F511-L515 VanDerWaalsContact O-CG 3.29Å; F511-L515 WeakPolarHBondContact O-CG 3.47Å; F511-L515 PolarHBondContact O-N 3.02Å; D512-L515 PolarHBondContact O-N 3.09Å; T513-L515 VanDerWaalsContact C-N 3.29Å; T513-L515 PolarHBondContact O-N 2.87Å; L515-T518 PolarHBondContact O-N 2.96Å; L515-T519 WeakPolarHBondContact O-CB 3.41Å; L515-T519 PolarHBondContact O-N 2.95Å; L515-T519 PolarHBondContact O-OG1 3.45Å
516	M	94.2	Very high	94.4	Very high	123 Å²	123	62.7 Å²	62.7	61%	0.606	31%	0.306	S	S	*	.	H	α-helix	trans	-59.4	-57.2	176.6	-167.6	-174.5	78.1	0	0	111	D512 T513 T518 T519 E520	D512-M516 PolarHBondContact O-N 2.96Å; T513-M516 PolarHBondContact O-N 2.67Å; M516-T518 VanDerWaalsContact C-N 3.26Å; M516-T518 PolarHBondContact O-N 2.76Å; M516-T519 PolarHBondContact O-N 2.92Å; M516-E520 PolarHBondContact O-N 3.02Å
517	D	96.4	Very high	94.7	Very high	81 Å²	81	61.6 Å²	61.6	43%	0.433	30%	0.304	S	S	.	.	H	α-helix	trans	-55.1	-40.3	-179.7	-64.1	-8.6	0	0	0	112.1	T513 E521	T513-D517 VanDerWaalsContact O-CG 3.27Å; T513-D517 PolarHBondContact O-N 2.87Å; D517-E521 WeakPolarHBondContact O-CB 3.5Å; D517-E521 PolarHBondContact O-N 2.95Å
518	T	95.7	Very high	95	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-73.6	-32.1	-179.8	-51.4	0	0	0	0	112.8	L398 R401 I402 V514 L515 M516 L522	L398-T518 HydrophobicContact CB-CG2 4.23Å; L398-T518 HydrophobicContact CD2-CG2 3.93Å; R401-T518 HydrophobicContact CB-CG2 3.89Å; R401-T518 HydrophobicContact CG-CG2 3.99Å; R401-T518 VanDerWaalsContact CZ-OG1 3.27Å; R401-T518 VanDerWaalsContact NE-CG2 3.31Å; R401-T518 PolarHBondContact NE-OG1 2.83Å; R401-T518 PolarHBondContact NH2-OG1 3.21Å; I402-T518 HydrophobicContact CD1-CG2 4.19Å; I402-T518 HydrophobicContact CG1-CG2 3.51Å; V514-T518 VanDerWaalsContact O-CB 3.25Å; V514-T518 WeakPolarHBondContact O-CB 3.37Å; V514-T518 PolarHBondContact O-N 3.37Å; V514-T518 VanDerWaalsContact O-N 3.12Å; V514-T518 PolarHBondContact O-OG1 3.31Å; L515-T518 PolarHBondContact O-N 2.96Å; M516-T518 VanDerWaalsContact C-N 3.26Å; M516-T518 PolarHBondContact O-N 2.76Å; T518-L522 WeakPolarHBondContact O-CB 3.34Å; T518-L522 PolarHBondContact O-N 3.14Å
519	T	96.2	Very high	95.3	Very high	47 Å²	47	62.6 Å²	62.6	29%	0.288	30%	0.303	S	S	.	.	H	α-helix	trans	-74.1	-39.5	177.9	-54	0	0	0	0	110.4	L515 M516 L522 E523	L515-T519 WeakPolarHBondContact O-CB 3.41Å; L515-T519 PolarHBondContact O-N 2.95Å; L515-T519 PolarHBondContact O-OG1 3.45Å; M516-T519 PolarHBondContact O-N 2.92Å; T519-L522 WeakPolarHBondContact O-CB 3.39Å; T519-L522 PolarHBondContact O-N 3.4Å; T519-E523 PolarHBondContact O-N 3.21Å
520	E	97.4	Very high	95.3	Very high	113 Å²	113	62.4 Å²	62.4	53%	0.528	30%	0.301	S	S	.	.	H	α-helix	trans	-63.5	-47.3	172	-159.4	-162.7	143.1	0	0	111.6	M516 L522 E523 Q524	M516-E520 PolarHBondContact O-N 3.02Å; E520-L522 PolarHBondContact O-N 3.06Å; E520-E523 PolarHBondContact O-N 2.8Å; E520-E523 VanDerWaalsContact O-N 3.16Å; E520-Q524 WeakPolarHBondContact O-CG 3.45Å; E520-Q524 PolarHBondContact O-N 2.86Å; E520-Q524 PolarHBondContact OE1-NE2 2.86Å
521	E	97.3	Very high	95.4	Very high	40 Å²	40	58.1 Å²	58.1	19%	0.187	29%	0.292	C	S	.	.	H	α-helix	trans	-57.9	-33.5	175.6	-161.1	-167.7	159.2	0	0	111.6	R394 L398 R401 D517 V525	R394-E521 IonicContact CZ-OE1 3.2Å; R394-E521 VanDerWaalsContact CZ-OE1 3.25Å; R394-E521 IonicContact NE-OE1 3.21Å; R394-E521 PolarHBondContact NE-OE1 3.09Å; R394-E521 IonicContact NH2-OE1 3.63Å; R394-E521 PolarHBondContact NH2-OE1 3.22Å; L398-E521 HydrophobicContact CD1-CB 4.03Å; L398-E521 HydrophobicContact CD1-CG 3.76Å; L398-E521 HydrophobicContact CD2-CB 4.23Å; L398-E521 HydrophobicContact CD2-CG 4.1Å; L398-E521 WeakPolarHBondContact CD2-OE2 3.35Å; R401-E521 IonicContact CZ-OE2 3.12Å; R401-E521 VanDerWaalsContact CZ-OE2 3.3Å; R401-E521 IonicContact NH1-OE2 2.73Å; R401-E521 PolarHBondContact NH1-OE2 3.32Å; R401-E521 IonicContact NH2-OE2 2.83Å; R401-E521 PolarHBondContact NH2-OE2 3.34Å; D517-E521 WeakPolarHBondContact O-CB 3.5Å; D517-E521 PolarHBondContact O-N 2.95Å; E521-V525 WeakPolarHBondContact O-CB 3.34Å; E521-V525 WeakPolarHBondContact O-CG2 3.48Å; E521-V525 PolarHBondContact O-N 3.43Å
522	L	97.1	Very high	95.4	Very high	7 Å²	7	57.2 Å²	57.2	4%	0.037	29%	0.288	C	S	.	.	H	α-helix	trans	-70.5	-44.4	176.8	176.4	60.9	0	0	0	112.3	A395 L398 V399 I402 T518 T519 E520 V525 R526	A395-L522 HydrophobicContact CB-CD1 3.83Å; L398-L522 HydrophobicContact CB-CB 4.23Å; L398-L522 HydrophobicContact CB-CD1 4.25Å; L398-L522 HydrophobicContact CD1-CB 4.43Å; V399-L522 HydrophobicContact CG2-CD1 3.93Å; V399-L522 HydrophobicContact CG2-CD2 3.66Å; V399-L522 HydrophobicContact CG2-CG 4.49Å; I402-L522 HydrophobicContact CD1-CD2 3.78Å; T518-L522 WeakPolarHBondContact O-CB 3.34Å; T518-L522 PolarHBondContact O-N 3.14Å; T519-L522 WeakPolarHBondContact O-CB 3.39Å; T519-L522 PolarHBondContact O-N 3.4Å; E520-L522 PolarHBondContact O-N 3.06Å; L522-V525 PolarHBondContact O-N 2.97Å; L522-R526 HydrophobicContact CD1-CG 4.47Å; L522-R526 WeakPolarHBondContact O-CG 3.34Å; L522-R526 PolarHBondContact O-N 3Å
523	E	95.6	Very high	95.2	Very high	57 Å²	57	57.8 Å²	57.8	27%	0.266	29%	0.29	S	S	.	.	H	α-helix	trans	-67	-42.5	177.3	-66.5	-50.1	141.7	0	0	112	T519 E520 V525 R526 T527	T519-E523 PolarHBondContact O-N 3.21Å; E520-E523 PolarHBondContact O-N 2.8Å; E520-E523 VanDerWaalsContact O-N 3.16Å; E523-V525 PolarHBondContact O-N 2.72Å; E523-R526 WeakPolarHBondContact O-CA 3.28Å; E523-R526 WeakPolarHBondContact O-CB 3.41Å; E523-R526 PolarHBondContact O-N 3.22Å; E523-R526 IonicContact OE1-CZ 3.66Å; E523-R526 IonicContact OE1-NE 3.83Å; E523-R526 IonicContact OE1-NH1 2.68Å; E523-R526 PolarHBondContact OE1-NH1 2.77Å; E523-R526 WeakPolarHBondContact OE2-CD 3.29Å; E523-R526 IonicContact OE2-NH1 3.84Å; E523-T527 PolarHBondContact O-N 2.87Å; E523-T527 PolarHBondContact O-OG1 3.35Å
524	Q	97.3	Very high	94.8	Very high	116 Å²	116	60.2 Å²	60.2	54%	0.542	29%	0.294	S	S	.	.	H	α-helix	trans	-55.1	-41.4	173.3	-68	178.6	15.6	0	0	111.7	E520 R528	E520-Q524 WeakPolarHBondContact O-CG 3.45Å; E520-Q524 PolarHBondContact O-N 2.86Å; E520-Q524 PolarHBondContact OE1-NE2 2.86Å; Q524-R528 PolarHBondContact O-N 3.4Å; Q524-R528 VanDerWaalsContact O-N 3.17Å
525	V	96.5	Very high	94.6	Very high	14 Å²	14	60.7 Å²	60.7	9%	0.085	29%	0.293	C	S	.	.	H	α-helix	trans	-70.4	-36.3	176.1	170.7	0	0	0	0	112.2	C391 R394 A395 L398 E521 L522 E523 R528 I529	C391-V525 HydrophobicContact CB-CG1 4.31Å; C391-V525 WeakPolarHBondContact O-CG1 3.49Å; R394-V525 HydrophobicContact CB-CG1 4.28Å; R394-V525 HydrophobicContact CG-CG2 4.07Å; A395-V525 HydrophobicContact CB-CG1 3.88Å; L398-V525 HydrophobicContact CD1-CG2 4.16Å; E521-V525 WeakPolarHBondContact O-CB 3.34Å; E521-V525 WeakPolarHBondContact O-CG2 3.48Å; E521-V525 PolarHBondContact O-N 3.43Å; L522-V525 PolarHBondContact O-N 2.97Å; E523-V525 PolarHBondContact O-N 2.72Å; V525-R528 PolarHBondContact O-N 2.98Å; V525-I529 HydrophobicContact CG1-CD1 4.05Å; V525-I529 VanDerWaalsContact O-CG1 3.29Å; V525-I529 WeakPolarHBondContact O-CG1 3.29Å; V525-I529 PolarHBondContact O-N 2.95Å
526	R	96.2	Very high	94.2	Very high	102 Å²	102	60 Å²	60	39%	0.385	29%	0.29	S	S	.	.	H	α-helix	trans	-61.6	-47.8	173.2	-75.3	167.3	170.8	-171	-2.5	111.3	L522 E523 R528 I529 E530	L522-R526 HydrophobicContact CD1-CG 4.47Å; L522-R526 WeakPolarHBondContact O-CG 3.34Å; L522-R526 PolarHBondContact O-N 3Å; E523-R526 WeakPolarHBondContact O-CA 3.28Å; E523-R526 WeakPolarHBondContact O-CB 3.41Å; E523-R526 PolarHBondContact O-N 3.22Å; E523-R526 IonicContact OE1-CZ 3.66Å; E523-R526 IonicContact OE1-NE 3.83Å; E523-R526 IonicContact OE1-NH1 2.68Å; E523-R526 PolarHBondContact OE1-NH1 2.77Å; E523-R526 WeakPolarHBondContact OE2-CD 3.29Å; E523-R526 IonicContact OE2-NH1 3.84Å; R526-R528 VanDerWaalsContact C-N 3.31Å; R526-R528 PolarHBondContact O-N 3.45Å; R526-I529 WeakPolarHBondContact O-CA 3.49Å; R526-I529 WeakPolarHBondContact O-CB 3.4Å; R526-I529 PolarHBondContact O-N 2.89Å; R526-E530 PolarHBondContact O-N 3.31Å
527	T	96.4	Very high	93.4	Very high	79 Å²	79	59.3 Å²	59.3	49%	0.485	28%	0.281	S	S	.	.	H	α-helix	trans	-60.4	-38.8	176.6	-49.8	0	0	0	0	111.9	E523 E530 T531	E523-T527 PolarHBondContact O-N 2.87Å; E523-T527 PolarHBondContact O-OG1 3.35Å; T527-E530 PolarHBondContact O-N 2.9Å; T527-T531 WeakPolarHBondContact O-CB 3.43Å; T527-T531 PolarHBondContact O-N 3.19Å; T527-T531 PolarHBondContact O-OG1 3.29Å
528	R	96.8	Very high	92.8	Very high	76 Å²	76	58.4 Å²	58.4	29%	0.287	28%	0.276	S	S	.	.	H	α-helix	trans	-67.9	-35.5	173.9	-175.4	58.8	-175.2	149.6	5.4	112.5	E387 Q524 V525 R526 T531 L532 E535	E387-R528 IonicContact OE1-CZ 3.24Å; E387-R528 IonicContact OE1-NE 3.9Å; E387-R528 PolarHBondContact OE1-NE 3.42Å; E387-R528 IonicContact OE1-NH2 2.69Å; E387-R528 PolarHBondContact OE1-NH2 3.48Å; E387-R528 IonicContact OE2-CZ 3.78Å; E387-R528 IonicContact OE2-NE 2.7Å; E387-R528 IonicContact OE2-NH2 3.19Å; E387-R528 PolarHBondContact OE2-NH2 3.42Å; Q524-R528 PolarHBondContact O-N 3.4Å; Q524-R528 VanDerWaalsContact O-N 3.17Å; V525-R528 PolarHBondContact O-N 2.98Å; R526-R528 VanDerWaalsContact C-N 3.31Å; R526-R528 PolarHBondContact O-N 3.45Å; R528-T531 PolarHBondContact O-N 3.48Å; R528-L532 HydrophobicContact CG-CD1 3.96Å; R528-L532 HydrophobicContact CG-CG 4.35Å; R528-L532 VanDerWaalsContact O-CB 3.31Å; R528-L532 WeakPolarHBondContact O-CB 3.33Å; R528-L532 VanDerWaalsContact O-CG 3.32Å; R528-L532 WeakPolarHBondContact O-CG 3.42Å; R528-L532 PolarHBondContact O-N 2.97Å; R528-E535 IonicContact CZ-OE1 3.29Å; R528-E535 IonicContact CZ-OE2 3.82Å; R528-E535 VanDerWaalsContact NH1-CD 3.33Å; R528-E535 IonicContact NH1-OE1 2.76Å; R528-E535 PolarHBondContact NH1-OE1 2.85Å; R528-E535 IonicContact NH1-OE2 3.17Å; R528-E535 PolarHBondContact NH1-OE2 2.88Å; R528-E535 IonicContact NH2-OE1 2.66Å; R528-E535 IonicContact NH2-OE2 3.3Å; R528-E535 PolarHBondContact NH2-OE2 2.96Å
529	I	94.7	Very high	92.2	Very high	22 Å²	22	59.3 Å²	59.3	11%	0.113	28%	0.28	C	S	.	.	H	α-helix	trans	-60.6	-49.2	172.6	-70.8	163.6	0	0	0	110.7	L388 C391 R392 A395 V525 R526 T531 L532 E533	L388-I529 HydrophobicContact CD1-CB 4.43Å; L388-I529 HydrophobicContact CD1-CG2 3.9Å; C391-I529 HydrophobicContact CB-CD1 4.25Å; C391-I529 HydrophobicContact CB-CG1 3.59Å; R392-I529 HydrophobicContact CB-CD1 4.49Å; R392-I529 HydrophobicContact CG-CD1 3.88Å; R392-I529 HydrophobicContact CG-CG1 4.19Å; R392-I529 HydrophobicContact CG-CG2 4.38Å; A395-I529 HydrophobicContact CB-CD1 4.09Å; V525-I529 HydrophobicContact CG1-CD1 4.05Å; V525-I529 VanDerWaalsContact O-CG1 3.29Å; V525-I529 WeakPolarHBondContact O-CG1 3.29Å; V525-I529 PolarHBondContact O-N 2.95Å; R526-I529 WeakPolarHBondContact O-CA 3.49Å; R526-I529 WeakPolarHBondContact O-CB 3.4Å; R526-I529 PolarHBondContact O-N 2.89Å; I529-T531 VanDerWaalsContact C-N 3.31Å; I529-T531 PolarHBondContact O-N 2.8Å; I529-L532 PolarHBondContact O-N 3.2Å; I529-E533 WeakPolarHBondContact O-CG 3.44Å; I529-E533 PolarHBondContact O-N 2.93Å
530	E	91.1	Very high	91.3	Very high	101 Å²	101	61.7 Å²	61.7	47%	0.472	29%	0.288	S	S	.	.	H	α-helix	trans	-61.1	-40.9	178.5	-69.4	174.8	171.8	0	0	112.2	R526 T527 E533 K534	R526-E530 PolarHBondContact O-N 3.31Å; T527-E530 PolarHBondContact O-N 2.9Å; E530-E533 PolarHBondContact O-N 3.15Å; E530-K534 PolarHBondContact O-N 2.86Å
531	T	94.8	Very high	90.1	Very high	57 Å²	57	58.6 Å²	58.6	35%	0.35	28%	0.275	S	S	.	.	H	α-helix	trans	-65.2	-46.1	176.7	-52.1	0	0	0	0	111.2	T527 R528 I529 K534 E535	T527-T531 WeakPolarHBondContact O-CB 3.43Å; T527-T531 PolarHBondContact O-N 3.19Å; T527-T531 PolarHBondContact O-OG1 3.29Å; R528-T531 PolarHBondContact O-N 3.48Å; I529-T531 VanDerWaalsContact C-N 3.31Å; I529-T531 PolarHBondContact O-N 2.8Å; T531-K534 CarbonylContact O-C 3.59Å; T531-K534 WeakPolarHBondContact O-CA 3.45Å; T531-K534 WeakPolarHBondContact O-CB 3.37Å; T531-K534 PolarHBondContact O-N 2.76Å; T531-K534 VanDerWaalsContact O-N 3.11Å; T531-E535 WeakPolarHBondContact CG2-OE1 3.39Å; T531-E535 WeakPolarHBondContact O-CG 3.38Å; T531-E535 PolarHBondContact O-N 2.87Å
532	L	93.3	Very high	89.2	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61.7	-42.5	175.4	-82.4	166.5	0	0	0	112.8	L384 E387 L388 C391 R528 I529 K534 E535 V536	L384-L532 HydrophobicContact CB-CD2 4.42Å; L384-L532 HydrophobicContact CD2-CD2 3.68Å; E387-L532 HydrophobicContact CB-CD1 4.08Å; E387-L532 HydrophobicContact CB-CD2 4.06Å; E387-L532 HydrophobicContact CG-CD1 3.91Å; E387-L532 HydrophobicContact CG-CD2 4.34Å; L388-L532 HydrophobicContact CB-CB 4.48Å; L388-L532 HydrophobicContact CB-CD1 4.39Å; L388-L532 HydrophobicContact CD1-CB 3.92Å; C391-L532 HydrophobicContact CB-CD1 4.4Å; R528-L532 HydrophobicContact CG-CD1 3.96Å; R528-L532 HydrophobicContact CG-CG 4.35Å; R528-L532 VanDerWaalsContact O-CB 3.31Å; R528-L532 WeakPolarHBondContact O-CB 3.33Å; R528-L532 VanDerWaalsContact O-CG 3.32Å; R528-L532 WeakPolarHBondContact O-CG 3.42Å; R528-L532 PolarHBondContact O-N 2.97Å; I529-L532 PolarHBondContact O-N 3.2Å; L532-K534 PolarHBondContact O-N 2.98Å; L532-E535 PolarHBondContact O-N 2.95Å; L532-V536 WeakPolarHBondContact O-CG2 3.23Å; L532-V536 PolarHBondContact O-N 2.85Å
533	E	88.7	Confident	88.1	Confident	35 Å²	35	63.5 Å²	63.5	16%	0.164	30%	0.296	C	S	.	.	H	α-helix	trans	-64.6	-31.5	174.6	-71.5	-172.2	-167.2	0	0	112	L388 R392 I529 E530 R537	L388-E533 HydrophobicContact CD1-CG 3.75Å; L388-E533 HydrophobicContact CD2-CG 4.19Å; R392-E533 IonicContact CZ-OE1 2.82Å; R392-E533 IonicContact NE-OE1 3.3Å; R392-E533 IonicContact NH2-OE1 3.13Å; R392-E533 PolarHBondContact NH2-OE1 2.91Å; I529-E533 WeakPolarHBondContact O-CG 3.44Å; I529-E533 PolarHBondContact O-N 2.93Å; E530-E533 PolarHBondContact O-N 3.15Å; E533-R537 VanDerWaalsContact C-NH2 3.33Å; E533-R537 WeakPolarHBondContact O-CB 3.38Å; E533-R537 VanDerWaalsContact O-CG 3.23Å; E533-R537 WeakPolarHBondContact O-CG 3.34Å; E533-R537 VanDerWaalsContact O-CZ 3.27Å; E533-R537 PolarHBondContact O-N 3.01Å; E533-R537 VanDerWaalsContact O-N 3.09Å; E533-R537 PolarHBondContact O-NE 2.83Å; E533-R537 VanDerWaalsContact O-NE 3.14Å; E533-R537 IonicContact OE2-NH1 3.77Å; E533-R537 PolarHBondContact OE2-NH1 2.82Å; E533-R537 VanDerWaalsContact OE2-NH1 3.15Å
534	K	86.4	Confident	86.9	Confident	120 Å²	120	62.8 Å²	62.8	52%	0.522	29%	0.294	S	S	.	.	H	α-helix	trans	-69.5	-49.4	171.7	-168.2	-167.3	172.5	-165.8	0	111.1	E530 T531 L532 V536 R537 D538	E530-K534 PolarHBondContact O-N 2.86Å; T531-K534 CarbonylContact O-C 3.59Å; T531-K534 WeakPolarHBondContact O-CA 3.45Å; T531-K534 WeakPolarHBondContact O-CB 3.37Å; T531-K534 PolarHBondContact O-N 2.76Å; T531-K534 VanDerWaalsContact O-N 3.11Å; L532-K534 PolarHBondContact O-N 2.98Å; K534-V536 VanDerWaalsContact C-N 3.29Å; K534-V536 PolarHBondContact O-N 2.8Å; K534-R537 PolarHBondContact O-N 3.28Å; K534-R537 VanDerWaalsContact O-N 3.1Å; K534-D538 VanDerWaalsContact CE-OD2 3.26Å; K534-D538 WeakPolarHBondContact CE-OD2 3.48Å; K534-D538 WeakPolarHBondContact O-CB 3.22Å; K534-D538 VanDerWaalsContact O-CG 3.23Å; K534-D538 PolarHBondContact O-N 3.23Å
535	E	90.3	Very high	85.7	Confident	61 Å²	61	62.7 Å²	62.7	29%	0.285	29%	0.294	S	S	.	.	H	α-helix	trans	-54	-44.6	177.1	-72.9	166.1	-166	0	0	111.8	L384 R528 T531 L532 I539	L384-E535 HydrophobicContact CD1-CB 4.04Å; L384-E535 HydrophobicContact CD2-CB 4.42Å; L384-E535 WeakPolarHBondContact CD2-OE2 3.4Å; R528-E535 IonicContact CZ-OE1 3.29Å; R528-E535 IonicContact CZ-OE2 3.82Å; R528-E535 VanDerWaalsContact NH1-CD 3.33Å; R528-E535 IonicContact NH1-OE1 2.76Å; R528-E535 PolarHBondContact NH1-OE1 2.85Å; R528-E535 IonicContact NH1-OE2 3.17Å; R528-E535 PolarHBondContact NH1-OE2 2.88Å; R528-E535 IonicContact NH2-OE1 2.66Å; R528-E535 IonicContact NH2-OE2 3.3Å; R528-E535 PolarHBondContact NH2-OE2 2.96Å; T531-E535 WeakPolarHBondContact CG2-OE1 3.39Å; T531-E535 WeakPolarHBondContact O-CG 3.38Å; T531-E535 PolarHBondContact O-N 2.87Å; L532-E535 PolarHBondContact O-N 2.95Å; E535-I539 WeakPolarHBondContact O-CG1 3.31Å; E535-I539 PolarHBondContact O-N 3Å; E535-I539 VanDerWaalsContact O-N 3.13Å
536	V	86.7	Confident	84.8	Confident	9 Å²	9	65.8 Å²	65.8	6%	0.055	31%	0.307	C	S	.	.	H	α-helix	trans	-62.9	-50.5	174	171.8	0	0	0	0	111.5	V381 L384 L385 L532 K534 D538 I539 E540	V381-V536 HydrophobicContact CG1-CG1 4.37Å; L384-V536 HydrophobicContact CB-CG2 3.57Å; L384-V536 HydrophobicContact CD1-CG2 4.1Å; L384-V536 HydrophobicContact CG-CG2 4.49Å; L385-V536 HydrophobicContact CD2-CG1 4.4Å; L385-V536 HydrophobicContact CD2-CG2 4.36Å; L385-V536 HydrophobicContact CG-CG2 4.43Å; L532-V536 WeakPolarHBondContact O-CG2 3.23Å; L532-V536 PolarHBondContact O-N 2.85Å; K534-V536 VanDerWaalsContact C-N 3.29Å; K534-V536 PolarHBondContact O-N 2.8Å; V536-D538 VanDerWaalsContact C-N 3.3Å; V536-D538 PolarHBondContact O-N 2.94Å; V536-I539 PolarHBondContact O-N 2.95Å; V536-E540 HydrophobicContact CG1-CG 4.23Å; V536-E540 WeakPolarHBondContact O-CB 3.5Å; V536-E540 WeakPolarHBondContact O-CG 3.43Å; V536-E540 PolarHBondContact O-N 3.2Å
537	R	77	Confident	84.1	Confident	109 Å²	109	62.9 Å²	62.9	41%	0.411	30%	0.299	S	S	.	.	H	α-helix	trans	-60	-38.5	178.8	-76.9	-179.7	-64.2	-110.7	-1.7	112.7	E533 K534 I539 L541	E533-R537 VanDerWaalsContact C-NH2 3.33Å; E533-R537 WeakPolarHBondContact O-CB 3.38Å; E533-R537 VanDerWaalsContact O-CG 3.23Å; E533-R537 WeakPolarHBondContact O-CG 3.34Å; E533-R537 VanDerWaalsContact O-CZ 3.27Å; E533-R537 PolarHBondContact O-N 3.01Å; E533-R537 VanDerWaalsContact O-N 3.09Å; E533-R537 PolarHBondContact O-NE 2.83Å; E533-R537 VanDerWaalsContact O-NE 3.14Å; E533-R537 IonicContact OE2-NH1 3.77Å; E533-R537 PolarHBondContact OE2-NH1 2.82Å; E533-R537 VanDerWaalsContact OE2-NH1 3.15Å; K534-R537 PolarHBondContact O-N 3.28Å; K534-R537 VanDerWaalsContact O-N 3.1Å; R537-I539 VanDerWaalsContact C-N 3.33Å; R537-L541 VanDerWaalsContact O-CB 3.28Å; R537-L541 WeakPolarHBondContact O-CB 3.44Å; R537-L541 WeakPolarHBondContact O-CG 3.46Å; R537-L541 PolarHBondContact O-N 3.03Å
538	D	82.8	Confident	83.6	Confident	61 Å²	61	60.7 Å²	60.7	33%	0.326	29%	0.289	S	S	.	.	H	α-helix	trans	-71.9	-26.1	-179.6	-70	-2.7	0	0	0	111.9	K534 V536 K542	K534-D538 VanDerWaalsContact CE-OD2 3.26Å; K534-D538 WeakPolarHBondContact CE-OD2 3.48Å; K534-D538 WeakPolarHBondContact O-CB 3.22Å; K534-D538 VanDerWaalsContact O-CG 3.23Å; K534-D538 PolarHBondContact O-N 3.23Å; V536-D538 VanDerWaalsContact C-N 3.3Å; V536-D538 PolarHBondContact O-N 2.94Å; D538-K542 WeakPolarHBondContact O-CD 3.41Å; D538-K542 WeakPolarHBondContact O-CG 3.37Å; D538-K542 PolarHBondContact O-N 2.85Å
539	I	83.8	Confident	83.3	Confident	20 Å²	20	57.9 Å²	57.9	10%	0.103	28%	0.278	C	S	.	.	H	α-helix	trans	-83	-44.3	171.8	-68.7	164.7	0	0	0	111.4	W377 V381 L384 E535 V536 R537 L541 K542 Q543	W377-I539 HydrophobicContact CE3-CG2 3.68Å; W377-I539 HydrophobicContact CZ3-CG2 4.28Å; V381-I539 HydrophobicContact CG2-CB 4.13Å; V381-I539 HydrophobicContact CG2-CG2 3.46Å; V381-I539 VanDerWaalsContact CG2-CG2 3.46Å; L384-I539 HydrophobicContact CD1-CD1 3.54Å; E535-I539 WeakPolarHBondContact O-CG1 3.31Å; E535-I539 PolarHBondContact O-N 3Å; E535-I539 VanDerWaalsContact O-N 3.13Å; V536-I539 PolarHBondContact O-N 2.95Å; R537-I539 VanDerWaalsContact C-N 3.33Å; I539-L541 PolarHBondContact O-N 3.18Å; I539-K542 PolarHBondContact O-N 3.25Å; I539-K542 VanDerWaalsContact O-N 3.08Å; I539-Q543 PolarHBondContact O-N 2.89Å
540	E	77.5	Confident	83.3	Confident	97 Å²	97	59 Å²	59	45%	0.453	28%	0.283	S	S	.	.	H	α-helix	trans	-57.1	-37.5	172.9	-72.4	179.1	161.2	0	0	110.9	V536 D544	V536-E540 HydrophobicContact CG1-CG 4.23Å; V536-E540 WeakPolarHBondContact O-CB 3.5Å; V536-E540 WeakPolarHBondContact O-CG 3.43Å; V536-E540 PolarHBondContact O-N 3.2Å; E540-D544 WeakPolarHBondContact O-CB 3.5Å; E540-D544 PolarHBondContact O-N 3.46Å
541	L	72.2	Confident	83.5	Confident	47 Å²	47	54.2 Å²	54.2	25%	0.246	26%	0.26	C	S	.	.	H	α-helix	trans	-56.4	-54	169.6	-98.4	158.9	0	0	0	112.5	R537 I539 Q543 D544 E545	R537-L541 VanDerWaalsContact O-CB 3.28Å; R537-L541 WeakPolarHBondContact O-CB 3.44Å; R537-L541 WeakPolarHBondContact O-CG 3.46Å; R537-L541 PolarHBondContact O-N 3.03Å; I539-L541 PolarHBondContact O-N 3.18Å; L541-Q543 PolarHBondContact O-N 3.17Å; L541-D544 CarbonylContact O-C 3.35Å; L541-D544 PolarHBondContact O-N 3.35Å; L541-E545 WeakPolarHBondContact O-CB 3.2Å; L541-E545 WeakPolarHBondContact O-CG 3.36Å; L541-E545 PolarHBondContact O-N 2.86Å
542	K	76.8	Confident	83.6	Confident	99 Å²	99	52.2 Å²	52.2	43%	0.43	25%	0.249	S	C	.	.	H	α-helix	trans	-62.1	-43.7	-179.1	-71.2	164.7	-174.2	170.3	0	112.1	W377 D538 I539 D544 E545 H546	W377-K542 HydrophobicContact CH2-CD 4.25Å; W377-K542 HydrophobicContact CZ3-CD 4.31Å; D538-K542 WeakPolarHBondContact O-CD 3.41Å; D538-K542 WeakPolarHBondContact O-CG 3.37Å; D538-K542 PolarHBondContact O-N 2.85Å; I539-K542 PolarHBondContact O-N 3.25Å; I539-K542 VanDerWaalsContact O-N 3.08Å; K542-D544 VanDerWaalsContact C-N 3.32Å; K542-D544 PolarHBondContact O-N 3.38Å; K542-E545 PolarHBondContact O-N 2.87Å; K542-H546 PolarHBondContact O-CD2 3.06Å; K542-H546 VanDerWaalsContact O-CD2 3.26Å; K542-H546 PolarHBondContact O-N 3.19Å
543	Q	74.3	Confident	83.8	Confident	52 Å²	52	52.2 Å²	52.2	24%	0.243	25%	0.249	C	C	.	.	H	α-helix	trans	-61.9	-42.3	177.2	-172	176.1	9.1	0	0	111.1	I539 L541 H546	I539-Q543 PolarHBondContact O-N 2.89Å; L541-Q543 PolarHBondContact O-N 3.17Å; Q543-H546 PolarHBondContact O-N 3.24Å
544	D	71.5	Confident	84.1	Confident	41 Å²	41	51.6 Å²	51.6	22%	0.219	25%	0.246	C	C	.	.	H	α-helix	trans	-67.3	-37.8	176.3	-167.8	53.3	0	0	0	111.6	E540 L541 K542 H546 L547 R549 R573	E540-D544 WeakPolarHBondContact O-CB 3.5Å; E540-D544 PolarHBondContact O-N 3.46Å; L541-D544 CarbonylContact O-C 3.35Å; L541-D544 PolarHBondContact O-N 3.35Å; K542-D544 VanDerWaalsContact C-N 3.32Å; K542-D544 PolarHBondContact O-N 3.38Å; D544-H546 VanDerWaalsContact C-N 3.34Å; D544-H546 PolarHBondContact O-N 3.13Å; D544-L547 WeakPolarHBondContact O-CB 3.35Å; D544-L547 PolarHBondContact O-N 2.98Å; D544-R549 VanDerWaalsContact O-CZ 3.23Å; D544-R549 PolarHBondContact O-NH1 2.77Å; D544-R549 PolarHBondContact O-NH2 2.84Å; D544-R549 IonicContact OD1-CZ 3.49Å; D544-R549 IonicContact OD1-NH2 2.65Å; D544-R549 PolarHBondContact OD1-NH2 2.88Å; D544-R549 IonicContact OD2-NH2 3.48Å; D544-R549 PolarHBondContact OD2-NH2 2.84Å; D544-R573 IonicContact OD2-CZ 2.97Å; D544-R573 IonicContact OD2-NH2 3.71Å; D544-R573 PolarHBondContact OD2-NH2 3.48Å
545	E	72.2	Confident	84.5	Confident	115 Å²	115	45.9 Å²	45.9	54%	0.537	22%	0.222	S	C	.	.	H	α-helix	trans	-65	-33.9	173.2	-75.8	170.5	-177.2	0	0	112.7	P343 L541 K542 L547	P343-E545 HydrophobicContact CB-CG 4.49Å; L541-E545 WeakPolarHBondContact O-CB 3.2Å; L541-E545 WeakPolarHBondContact O-CG 3.36Å; L541-E545 PolarHBondContact O-N 2.86Å; K542-E545 PolarHBondContact O-N 2.87Å; E545-L547 PolarHBondContact O-N 2.91Å
546	H	76.9	Confident	84.6	Confident	79 Å²	79	46.9 Å²	46.9	37%	0.366	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-1	174.8	-86.6	-79.5	0	0	0	114.9	L370 K542 Q543 D544	L370-H546 WeakPolarHBondContact CB-O 3.21Å; L370-H546 PolarHBondContact N-O 3.23Å; K542-H546 PolarHBondContact O-CD2 3.06Å; K542-H546 VanDerWaalsContact O-CD2 3.26Å; K542-H546 PolarHBondContact O-N 3.19Å; Q543-H546 PolarHBondContact O-N 3.24Å; D544-H546 VanDerWaalsContact C-N 3.34Å; D544-H546 PolarHBondContact O-N 3.13Å
547	L	81.7	Confident	84.8	Confident	41 Å²	41	46.5 Å²	46.5	22%	0.215	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	114.5	173.3	-59	179.4	0	0	0	112	A367 K368 D544 E545 R549	A367-L547 HydrophobicContact CB-CB 4.43Å; A367-L547 HydrophobicContact CB-CD1 4.32Å; K368-L547 CarbonylContact O-C 3.52Å; K368-L547 WeakPolarHBondContact O-CA 3.37Å; D544-L547 WeakPolarHBondContact O-CB 3.35Å; D544-L547 PolarHBondContact O-N 2.98Å; E545-L547 PolarHBondContact O-N 2.91Å; L547-R549 PolarHBondContact O-N 3.36Å; L547-R549 PolarHBondContact O-NH1 2.65Å
548	A	85.1	Confident	85.4	Confident	32 Å²	32	48.5 Å²	48.5	26%	0.264	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	117.7	164.2	0	0	0	0	0	109.9	A367 K368 L370	A367-A548 CarbonylContact C-O 3.56Å; A367-A548 WeakPolarHBondContact CA-O 3.44Å; K368-A548 PolarHBondContact N-O 2.98Å; K368-A548 PolarHBondContact O-N 3.14Å; L370-A548 HydrophobicContact CD1-CB 4.17Å; L370-A548 HydrophobicContact CD2-CB 3.82Å; L370-A548 HydrophobicContact CG-CB 3.83Å
549	R	91.5	Very high	85.9	Confident	18 Å²	18	51.8 Å²	51.8	7%	0.068	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	129.2	179.3	-67.4	170.3	-175.1	75.2	-7.1	110.6	L341 P343 F365 S366 A367 D544 L547	L341-R549 HydrophobicContact CB-CB 4.02Å; L341-R549 HydrophobicContact CD1-CB 4.42Å; L341-R549 WeakPolarHBondContact CD1-O 3.29Å; P343-R549 VanDerWaalsContact CA-CZ 3.41Å; P343-R549 PolarHBondContact O-NH2 3.08Å; F365-R549 HydrophobicContact CE2-CB 4.12Å; F365-R549 HydrophobicContact CE2-CG 4.32Å; F365-R549 HydrophobicContact CZ-CB 4.26Å; F365-R549 HydrophobicContact CZ-CG 3.97Å; S366-R549 WeakPolarHBondContact O-CA 3.29Å; A367-R549 HydrophobicContact CB-CG 4.28Å; D544-R549 VanDerWaalsContact O-CZ 3.23Å; D544-R549 PolarHBondContact O-NH1 2.77Å; D544-R549 PolarHBondContact O-NH2 2.84Å; D544-R549 IonicContact OD1-CZ 3.49Å; D544-R549 IonicContact OD1-NH2 2.65Å; D544-R549 PolarHBondContact OD1-NH2 2.88Å; D544-R549 IonicContact OD2-NH2 3.48Å; D544-R549 PolarHBondContact OD2-NH2 2.84Å; L547-R549 PolarHBondContact O-N 3.36Å; L547-R549 PolarHBondContact O-NH1 2.65Å
550	E	93.9	Very high	86.3	Confident	44 Å²	44	55.1 Å²	55.1	21%	0.206	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	141.5	177.4	-65	176.6	138.9	0	0	110.5	V337 F338 E339 F365 S366 K368	V337-E550 HydrophobicContact CG1-CB 4.38Å; F338-E550 WeakPolarHBondContact O-CA 3.01Å; E339-E550 HydrophobicContact CG-CG 4.39Å; F365-E550 WeakPolarHBondContact CA-O 3.5Å; S366-E550 PolarHBondContact N-O 2.91Å; S366-E550 PolarHBondContact O-N 3.47Å; K368-E550 IonicContact NZ-OE2 3.86Å; K368-E550 PolarHBondContact NZ-OE2 2.6Å
551	L	96.7	Very high	87	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	111.6	169.6	170.5	65.8	0	0	0	108.6	M303 V337 F338 L341 I350 V363 V553 V567	M303-L551 HydrophobicContact CE-CD2 4.13Å; V337-L551 CarbonylContact C-O 3.6Å; V337-L551 WeakPolarHBondContact CA-O 3.27Å; F338-L551 HydrophobicContact CB-CB 4.29Å; F338-L551 HydrophobicContact CD2-CB 4.47Å; F338-L551 HydrophobicContact CD2-CD2 4.11Å; F338-L551 HydrophobicContact CD2-CG 4.24Å; F338-L551 PolarHBondContact N-O 3.12Å; F338-L551 PolarHBondContact O-N 3.26Å; L341-L551 HydrophobicContact CD1-CB 4Å; L341-L551 HydrophobicContact CD2-CB 3.85Å; L341-L551 HydrophobicContact CD2-CD2 4.3Å; I350-L551 HydrophobicContact CG2-CD1 4Å; I350-L551 HydrophobicContact CG2-CD2 3.92Å; V363-L551 HydrophobicContact CG1-CD1 3.76Å; L551-V553 HydrophobicContact CG-CG2 4.29Å; L551-V567 HydrophobicContact CD2-CG1 3.68Å
552	S	96.4	Very high	88	Confident	16 Å²	16	56 Å²	56	11%	0.112	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	129.1	174.4	-175.4	0	0	0	0	110.5	E335 V363 S364	E335-S552 VanDerWaalsContact CD-OG 3.24Å; E335-S552 WeakPolarHBondContact CG-OG 3.42Å; E335-S552 PolarHBondContact OE1-OG 3.15Å; V363-S552 WeakPolarHBondContact CA-O 3.27Å; S364-S552 PolarHBondContact N-O 2.78Å; S364-S552 PolarHBondContact O-N 2.86Å
553	V	96.3	Very high	88.8	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	111.9	175.6	-176.2	0	0	0	0	107.9	V336 F338 V352 I360 V363 L551 V555 M565	V336-V553 HydrophobicContact CB-CB 4.43Å; V336-V553 PolarHBondContact N-O 3.04Å; V336-V553 PolarHBondContact O-N 3.34Å; F338-V553 HydrophobicContact CE2-CG2 4.14Å; V352-V553 HydrophobicContact CG1-CG1 4.14Å; V352-V553 HydrophobicContact CG1-CG2 4.34Å; V352-V553 HydrophobicContact CG2-CG2 3.99Å; I360-V553 HydrophobicContact CG2-CG1 4.17Å; V363-V553 HydrophobicContact CG1-CG2 4.48Å; V363-V553 HydrophobicContact CG2-CG1 4.36Å; L551-V553 HydrophobicContact CG-CG2 4.29Å; V553-V555 HydrophobicContact CG1-CG2 3.89Å; V553-M565 HydrophobicContact CB-CE 4.42Å; V553-M565 HydrophobicContact CG1-CE 3.97Å
554	L	95.3	Very high	89.8	Confident	21 Å²	21	51.5 Å²	51.5	11%	0.11	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	119.9	178.5	-165.6	68.6	0	0	0	109.3	I333 E335 L361 D362	I333-L554 HydrophobicContact CG2-CD1 3.63Å; I333-L554 HydrophobicContact CG2-CD2 4.28Å; I333-L554 HydrophobicContact CG2-CG 3.81Å; E335-L554 HydrophobicContact CB-CD1 4.34Å; L361-L554 HydrophobicContact CB-CB 4.26Å; L361-L554 HydrophobicContact CB-CD2 4.1Å; L361-L554 HydrophobicContact CB-CG 4.23Å; L361-L554 HydrophobicContact CD1-CD2 4.16Å; L361-L554 HydrophobicContact CD1-CG 4.31Å; L361-L554 PolarHBondContact N-O 2.84Å; D362-L554 HydrophobicContact CB-CB 3.95Å; D362-L554 PolarHBondContact O-N 3.33Å
555	V	94.7	Very high	91	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	133.2	-173	-175.6	0	0	0	0	110.8	F328 I333 T334 V336 I354 A358 T359 V553 P557 M565	F328-V555 HydrophobicContact CE1-CB 4.04Å; F328-V555 HydrophobicContact CE1-CG1 4.08Å; F328-V555 HydrophobicContact CE1-CG2 4.43Å; F328-V555 HydrophobicContact CE2-CG1 4.07Å; F328-V555 HydrophobicContact CZ-CB 3.97Å; F328-V555 HydrophobicContact CZ-CG1 3.73Å; F328-V555 HydrophobicContact CZ-CG2 4.04Å; I333-V555 WeakPolarHBondContact CA-O 3.3Å; T334-V555 PolarHBondContact N-O 2.66Å; T334-V555 PolarHBondContact O-N 3.24Å; V336-V555 HydrophobicContact CG2-CG2 4.2Å; I354-V555 HydrophobicContact CD1-CB 4.47Å; I354-V555 HydrophobicContact CD1-CG1 3.79Å; I354-V555 HydrophobicContact CD1-CG2 3.78Å; A358-V555 HydrophobicContact CB-CG1 3.84Å; T359-V555 WeakPolarHBondContact O-CA 3.4Å; V553-V555 HydrophobicContact CG1-CG2 3.89Å; V555-P557 WeakPolarHBondContact O-CD 3.31Å; V555-M565 HydrophobicContact CG2-CE 3.97Å
556	E	93.1	Very high	92.1	Very high	82 Å²	82	45.3 Å²	45.3	38%	0.383	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	109	169.1	-174.7	-175.6	-138.4	0	0	109.9	I333 A358 T359 L361	I333-E556 HydrophobicContact CG1-CG 4.48Å; A358-E556 CarbonylContact C-O 3.58Å; A358-E556 VanDerWaalsContact CA-O 3.26Å; A358-E556 WeakPolarHBondContact CA-O 3.3Å; T359-E556 PolarHBondContact N-O 2.91Å; T359-E556 PolarHBondContact O-N 3.49Å; L361-E556 HydrophobicContact CD1-CB 4.04Å; L361-E556 HydrophobicContact CD2-CB 4.12Å; L361-E556 HydrophobicContact CG-CB 4.02Å
557	P	91.3	Very high	93	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.013	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	123.7	-179.8	-4.4	25	0	0	0	111.2	F328 N329 S331 D332 V555	F328-P557 HydrophobicContact CB-CB 3.52Å; F328-P557 HydrophobicContact CB-CG 3.54Å; F328-P557 HydrophobicContact CD1-CG 3.83Å; F328-P557 HydrophobicContact CG-CB 4.03Å; F328-P557 HydrophobicContact CG-CG 3.77Å; N329-P557 WeakPolarHBondContact O-CB 3.36Å; N329-P557 WeakPolarHBondContact O-CG 3.34Å; S331-P557 PolarHBondContact N-O 2.79Å; D332-P557 WeakPolarHBondContact O-CD 3.32Å; D332-P557 WeakPolarHBondContact O-CG 3.41Å; V555-P557 WeakPolarHBondContact O-CD 3.31Å
558	R	90.4	Very high	93.7	Very high	150 Å²	150	41.1 Å²	41.1	57%	0.566	21%	0.21	S	C	*	.	S	Bend	trans	-81.7	-22.7	176.6	-55.4	-168.8	-65.3	-97.2	1.7	112.6	A357 A358 T359	A357-R558 HydrophobicContact CB-CB 4.4Å; A357-R558 WeakPolarHBondContact O-CA 3.36Å; A357-R558 WeakPolarHBondContact O-CB 3.13Å; A357-R558 PolarHBondContact O-N 3.06Å; A358-R558 PolarHBondContact O-NH1 2.78Å; T359-R558 PolarHBondContact OG1-NH1 3.43Å
559	E	92.5	Very high	94.2	Very high	131 Å²	131	39.6 Å²	39.6	61%	0.612	20%	0.197	S	C	*	.	S	Bend	trans	-140.2	149.2	-179.2	-63.1	172	-150.7	0	0	111.4	A357 G561	A357-E559 HydrophobicContact CB-CB 3.83Å; A357-E559 VanDerWaalsContact CB-CD 3.44Å; A357-E559 HydrophobicContact CB-CG 3.69Å; A357-E559 WeakPolarHBondContact CB-OE1 3.3Å; A357-E559 PolarHBondContact O-N 2.79Å; E559-G561 PolarHBondContact O-N 2.83Å
560	T	92.4	Very high	94.4	Very high	89 Å²	89	39.6 Å²	39.6	55%	0.546	20%	0.199	S	C	.	.	S	Bend	trans	-76.9	110.1	174.4	-60.7	0	0	0	0	110	F328 A330	F328-T560 CarbonylContact O-C 3.59Å; F328-T560 WeakPolarHBondContact O-CA 3.13Å; A330-T560 PolarHBondContact N-OG1 2.95Å
561	G	92.6	Very high	94.4	Very high	23 Å²	23	37.5 Å²	37.5	24%	0.237	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.2	-179.5	-173.5	0	0	0	0	0	114.4	R327 F328 E559	R327-G561 CarbonylContact C-O 3.59Å; R327-G561 WeakPolarHBondContact CA-O 3.42Å; R327-G561 WeakPolarHBondContact CG-O 3.41Å; F328-G561 PolarHBondContact N-O 2.9Å; F328-G561 PolarHBondContact O-N 3.48Å; E559-G561 PolarHBondContact O-N 2.83Å
562	Q	93.4	Very high	94.1	Very high	140 Å²	140	40.8 Å²	40.8	65%	0.654	21%	0.207	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	139.1	163	-79.1	-177.7	-12.6	0	0	109.5	P326 R327	P326-Q562 WeakPolarHBondContact O-CA 3.33Å; R327-Q562 HydrophobicContact CB-CG 4.16Å; R327-Q562 HydrophobicContact CG-CG 4.2Å
563	V	93.1	Very high	93.9	Very high	6 Å²	6	44.6 Å²	44.6	4%	0.036	22%	0.219	C	C	.	.			trans	-121.2	140.5	176.7	169.6	0	0	0	0	107.6	R325 P326 F328 I354 A358	R325-V563 CarbonylContact C-O 3.57Å; R325-V563 VanDerWaalsContact CA-O 3.24Å; R325-V563 WeakPolarHBondContact CA-O 3.4Å; P326-V563 VanDerWaalsContact CD-O 3.29Å; P326-V563 WeakPolarHBondContact CD-O 3.3Å; P326-V563 PolarHBondContact O-N 2.93Å; P326-V563 VanDerWaalsContact O-N 3.1Å; F328-V563 HydrophobicContact CD2-CB 3.96Å; F328-V563 HydrophobicContact CD2-CG2 3.77Å; F328-V563 HydrophobicContact CE2-CB 3.86Å; F328-V563 HydrophobicContact CE2-CG1 4.33Å; F328-V563 HydrophobicContact CE2-CG2 4.13Å; I354-V563 HydrophobicContact CG1-CG1 4.43Å; I354-V563 HydrophobicContact CG2-CG1 3.66Å; A358-V563 HydrophobicContact CB-CG1 4.4Å; A358-V563 HydrophobicContact CB-CG2 4.16Å
564	E	95.3	Very high	93.8	Very high	50 Å²	50	45.3 Å²	45.3	23%	0.234	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	121.4	174.6	-178.4	163.9	-95.1	0	0	109.8	R323 R325 R355	R323-E564 WeakPolarHBondContact CD-OE1 3.42Å; R323-E564 HydrophobicContact CG-CG 4.33Å; R325-E564 IonicContact CZ-OE1 3.25Å; R325-E564 VanDerWaalsContact CZ-OE1 3.25Å; R325-E564 IonicContact NE-OE1 2.97Å; R325-E564 PolarHBondContact NE-OE1 3.41Å; R325-E564 IonicContact NH2-OE1 2.68Å; R325-E564 PolarHBondContact NH2-OE1 3.46Å; R355-E564 HydrophobicContact CB-CB 4.31Å; R355-E564 PolarHBondContact N-O 3.24Å; R355-E564 PolarHBondContact O-N 3.09Å
565	M	96.2	Very high	93.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	132.1	177.1	-176.5	-174.8	-82	0	0	109	R323 I324 P326 V336 F338 V352 E353 I354 V553 V555 V567	R323-M565 WeakPolarHBondContact CA-O 3.29Å; I324-M565 PolarHBondContact N-O 3.28Å; I324-M565 PolarHBondContact O-N 3.03Å; I324-M565 VanDerWaalsContact O-O 3.12Å; P326-M565 HydrophobicContact CG-CB 4.39Å; P326-M565 HydrophobicContact CG-CE 4.46Å; V336-M565 HydrophobicContact CB-CE 4.36Å; V336-M565 HydrophobicContact CG1-CE 4.37Å; V336-M565 HydrophobicContact CG1-SD 4.42Å; V336-M565 HydrophobicContact CG2-CE 4.32Å; F338-M565 HydrophobicContact CE2-SD 3.9Å; F338-M565 HydrophobicContact CZ-SD 3.66Å; V352-M565 HydrophobicContact CG1-CG 3.94Å; V352-M565 HydrophobicContact CG1-SD 4.22Å; E353-M565 WeakPolarHBondContact O-CA 3.2Å; I354-M565 HydrophobicContact CD1-CE 3.81Å; I354-M565 HydrophobicContact CG1-CB 4.42Å; I354-M565 HydrophobicContact CG1-CE 4.09Å; I354-M565 HydrophobicContact CG1-CG 4.27Å; V553-M565 HydrophobicContact CB-CE 4.42Å; V553-M565 HydrophobicContact CG1-CE 3.97Å; V555-M565 HydrophobicContact CG2-CE 3.97Å; M565-V567 HydrophobicContact CG-CG2 4.23Å; M565-V567 HydrophobicContact SD-CG2 4.17Å
566	L	95.9	Very high	93.8	Very high	27 Å²	27	44.9 Å²	44.9	14%	0.141	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	127.7	171.1	-56.1	175.5	0	0	0	108.1	R323 V352 E353	R323-L566 HydrophobicContact CB-CD2 3.73Å; R323-L566 HydrophobicContact CG-CD2 3.84Å; V352-L566 CarbonylContact C-O 3.58Å; V352-L566 WeakPolarHBondContact CA-O 3.16Å; E353-L566 HydrophobicContact CB-CB 4.28Å; E353-L566 PolarHBondContact N-O 2.86Å; E353-L566 PolarHBondContact O-N 2.68Å
567	V	96.5	Very high	94	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	119.4	173.2	-175.3	0	0	0	0	107	M303 R322 I324 F338 V352 L551 M565 Y569	M303-V567 HydrophobicContact CE-CB 4.49Å; M303-V567 HydrophobicContact CE-CG1 3.91Å; R322-V567 PolarHBondContact N-O 2.73Å; R322-V567 PolarHBondContact O-N 2.8Å; I324-V567 HydrophobicContact CD1-CG2 4.17Å; F338-V567 HydrophobicContact CE2-CG2 3.98Å; F338-V567 HydrophobicContact CZ-CG2 4.06Å; V352-V567 HydrophobicContact CG1-CG2 4.38Å; V352-V567 HydrophobicContact CG2-CG1 4.35Å; V352-V567 HydrophobicContact CG2-CG2 4.36Å; L551-V567 HydrophobicContact CD2-CG1 3.68Å; M565-V567 HydrophobicContact CG-CG2 4.23Å; M565-V567 HydrophobicContact SD-CG2 4.17Å; V567-Y569 HydrophobicContact CG1-CD1 4.25Å
568	S	95.4	Very high	94.2	Very high	32 Å²	32	46.3 Å²	46.3	22%	0.224	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	139.7	178.8	61	0	0	0	0	111.6	I320 I350 R351	I320-S568 WeakPolarHBondContact O-CA 3.5Å; I320-S568 WeakPolarHBondContact O-CB 3.31Å; I350-S568 CarbonylContact C-O 3.59Å; I350-S568 WeakPolarHBondContact CA-O 3.39Å; R351-S568 PolarHBondContact N-O 2.93Å; R351-S568 PolarHBondContact O-N 2.96Å
569	Y	95.5	Very high	94.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	152	-174.3	55.7	-92.8	0	0	0	110.4	M303 I320 R322 I345 V567 V571 E605	M303-Y569 HydrophobicContact CE-CE1 4.28Å; M303-Y569 HydrophobicContact CG-CE1 4.29Å; M303-Y569 HydrophobicContact SD-CE1 4.07Å; I320-Y569 HydrophobicContact CB-CD2 4.31Å; I320-Y569 HydrophobicContact CB-CE2 3.93Å; I320-Y569 HydrophobicContact CD1-CE2 3.9Å; I320-Y569 HydrophobicContact CG1-CE2 4.48Å; I320-Y569 HydrophobicContact CG2-CE1 4.05Å; I320-Y569 HydrophobicContact CG2-CE2 4.07Å; I320-Y569 PolarHBondContact N-O 2.89Å; I320-Y569 PolarHBondContact O-N 2.65Å; R322-Y569 WeakPolarHBondContact CD-OH 3.32Å; R322-Y569 PolarHBondContact NE-OH 3.28Å; R322-Y569 VanDerWaalsContact NE-OH 3.14Å; I345-Y569 HydrophobicContact CD1-CD1 4.38Å; I345-Y569 HydrophobicContact CD1-CD2 3.63Å; I345-Y569 HydrophobicContact CD1-CE2 4.25Å; I345-Y569 HydrophobicContact CD1-CG 3.7Å; I345-Y569 HydrophobicContact CG1-CD2 3.82Å; I345-Y569 HydrophobicContact CG1-CG 4.18Å; V567-Y569 HydrophobicContact CG1-CD1 4.25Å; Y569-V571 HydrophobicContact CD2-CG1 3.78Å; Y569-V571 HydrophobicContact CE2-CG1 3.69Å; Y569-E605 PolarHBondContact OH-OE1 2.88Å
570	V	95.2	Very high	94.7	Very high	18 Å²	18	33.7 Å²	33.7	11%	0.109	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	136.7	173.1	173.2	0	0	0	0	109.1	R317 A318 L319 D346 S349	R317-V570 HydrophobicContact CB-CG1 3.96Å; R317-V570 VanDerWaalsContact CD-CG1 3.47Å; R317-V570 HydrophobicContact CG-CG1 3.76Å; A318-V570 CarbonylContact O-C 3.59Å; A318-V570 VanDerWaalsContact O-CA 3.24Å; A318-V570 WeakPolarHBondContact O-CA 3.37Å; L319-V570 HydrophobicContact CB-CG2 4.49Å; L319-V570 HydrophobicContact CD1-CG2 4.21Å; D346-V570 HydrophobicContact CB-CB 4.31Å; D346-V570 PolarHBondContact N-O 3.44Å; S349-V570 PolarHBondContact OG-N 3.45Å
571	V	94.7	Very high	94.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	136	168.3	-67.9	0	0	0	0	109.5	R317 A318 I320 S342 A344 I345 Y569 C574 T603 W607	R317-V571 CarbonylContact C-O 3.58Å; R317-V571 WeakPolarHBondContact CA-O 3.36Å; R317-V571 WeakPolarHBondContact CB-O 3.38Å; A318-V571 HydrophobicContact CB-CG2 4.05Å; A318-V571 PolarHBondContact N-O 3.23Å; A318-V571 PolarHBondContact O-N 3.39Å; I320-V571 HydrophobicContact CD1-CG1 4.07Å; I320-V571 HydrophobicContact CD1-CG2 3.66Å; I320-V571 HydrophobicContact CG1-CG2 4.28Å; S342-V571 WeakPolarHBondContact OG-CG1 3.32Å; A344-V571 HydrophobicContact CB-CB 4.2Å; A344-V571 WeakPolarHBondContact O-CA 3.23Å; I345-V571 HydrophobicContact CB-CG1 4.5Å; Y569-V571 HydrophobicContact CD2-CG1 3.78Å; Y569-V571 HydrophobicContact CE2-CG1 3.69Å; V571-C574 PolarHBondContact O-SG 2.97Å; V571-C574 VanDerWaalsContact O-SG 3.39Å; V571-T603 HydrophobicContact CB-CG2 4.15Å; V571-T603 HydrophobicContact CG2-CG2 3.9Å; V571-W607 HydrophobicContact CG2-CZ2 3.93Å
572	N	90.9	Very high	95	Very high	69 Å²	69	28.5 Å²	28.5	37%	0.369	14%	0.144	S	C	.	.			trans	-86.9	-157.3	173.4	-57.3	-67.6	0	0	0	109.5	A344 C574 T603	A344-N572 WeakPolarHBondContact CB-O 3.31Å; A344-N572 PolarHBondContact O-N 3.26Å; A344-N572 PolarHBondContact O-ND2 3.24Å; N572-C574 PolarHBondContact O-N 3.1Å; N572-C574 VanDerWaalsContact O-N 3.09Å; N572-C574 PolarHBondContact O-SG 3.28Å; N572-T603 VanDerWaalsContact O-CG2 3.23Å; N572-T603 WeakPolarHBondContact O-CG2 3.39Å
573	R	90.7	Very high	95	Very high	97 Å²	97	24.5 Å²	24.5	37%	0.366	12%	0.123	S	C	.	.	S	Bend	trans	54.7	28.8	177.4	-47.8	-176	-165.7	-86.9	7.7	113.7	A344 D544 A602	A344-R573 HydrophobicContact CB-CB 4Å; A344-R573 HydrophobicContact CB-CG 3.75Å; D544-R573 IonicContact OD2-CZ 2.97Å; D544-R573 IonicContact OD2-NH2 3.71Å; D544-R573 PolarHBondContact OD2-NH2 3.48Å; R573-A602 VanDerWaalsContact CB-O 3.3Å; R573-A602 WeakPolarHBondContact CB-O 3.38Å; R573-A602 WeakPolarHBondContact CD-O 3.5Å; R573-A602 PolarHBondContact O-N 3.3Å
574	C	94.9	Very high	94.9	Very high	15 Å²	15	24.3 Å²	24.3	10%	0.101	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	165.8	-178.7	61.2	0	0	0	0	111.3	D316 R317 A318 V571 N572 Q600 Q601 T603 W607	D316-C574 CarbonylContact C-O 3.54Å; R317-C574 VanDerWaalsContact C-SG 3.55Å; R317-C574 WeakPolarHBondContact CA-O 3.45Å; R317-C574 PolarHBondContact N-O 2.79Å; A318-C574 PolarHBondContact N-SG 2.7Å; A318-C574 VanDerWaalsContact N-SG 3.35Å; V571-C574 PolarHBondContact O-SG 2.97Å; V571-C574 VanDerWaalsContact O-SG 3.39Å; N572-C574 PolarHBondContact O-N 3.1Å; N572-C574 VanDerWaalsContact O-N 3.09Å; N572-C574 PolarHBondContact O-SG 3.28Å; C574-Q600 CarbonylContact C-O 3.54Å; C574-Q600 VanDerWaalsContact CA-O 3.22Å; C574-Q600 WeakPolarHBondContact CA-O 3.39Å; C574-Q600 WeakPolarHBondContact CB-O 3.48Å; C574-Q601 HydrophobicContact CB-CB 3.49Å; C574-Q601 VanDerWaalsContact CB-CB 3.49Å; C574-T603 HydrophobicContact CB-CG2 3.68Å; C574-W607 HydrophobicContact CB-CH2 3.67Å; C574-W607 HydrophobicContact CB-CZ2 4.06Å
575	G	95.3	Very high	94.6	Very high	9 Å²	9	24 Å²	24	9%	0.093	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.1	-167.4	174.2	0	0	0	0	0	112.7	F314 Q600	F314-G575 CarbonylContact O-C 3.59Å; F314-G575 VanDerWaalsContact O-CA 3.25Å; F314-G575 WeakPolarHBondContact O-CA 3.34Å; G575-Q600 PolarHBondContact N-O 2.94Å; G575-Q600 PolarHBondContact O-N 2.94Å
576	W	95.8	Very high	93.7	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.008	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	149.2	169.5	77.1	-78.6	0	0	0	112.5	V313 F314 L315 P578 M598 V599 L614 S615 T616 L845 L901	V313-W576 HydrophobicContact CG1-CB 4.23Å; V313-W576 VanDerWaalsContact O-CD1 3.31Å; V313-W576 PolarHBondContact O-NE1 2.88Å; F314-W576 VanDerWaalsContact C-CD1 3.48Å; F314-W576 VanDerWaalsContact O-CD1 3.24Å; F314-W576 PolarHBondContact O-N 2.97Å; L315-W576 HydrophobicContact CD2-CD2 4.45Å; L315-W576 HydrophobicContact CD2-CZ2 4.31Å; L315-W576 WeakPolarHBondContact CD2-O 3.13Å; W576-P578 HydrophobicContact CZ3-CB 4.02Å; W576-M598 CarbonylContact C-O 3.51Å; W576-M598 WeakPolarHBondContact CA-O 3.49Å; W576-V599 HydrophobicContact CB-CG2 3.97Å; W576-L614 HydrophobicContact CB-CD2 4.31Å; W576-L614 HydrophobicContact CD2-CB 3.91Å; W576-L614 HydrophobicContact CD2-CD1 3.96Å; W576-L614 HydrophobicContact CD2-CD2 4.45Å; W576-L614 HydrophobicContact CD2-CG 4.34Å; W576-L614 HydrophobicContact CE3-CB 4.36Å; W576-L614 HydrophobicContact CE3-CD1 3.77Å; W576-L614 HydrophobicContact CG-CB 4.3Å; W576-L614 HydrophobicContact CG-CD1 4.38Å; W576-L614 HydrophobicContact CG-CD2 4.11Å; W576-L614 HydrophobicContact CH2-CB 4.29Å; W576-L614 HydrophobicContact CZ2-CB 3.89Å; W576-L614 HydrophobicContact CZ3-CD1 4.12Å; W576-S615 PolarHBondContact NE1-O 3.16Å; W576-T616 HydrophobicContact CZ2-CG2 4.04Å; W576-L845 HydrophobicContact CH2-CD1 3.71Å; W576-L845 HydrophobicContact CZ2-CD1 4.29Å; W576-L901 HydrophobicContact CH2-CD1 3.46Å; W576-L901 VanDerWaalsContact CH2-CD1 3.46Å; W576-L901 HydrophobicContact CZ2-CD1 4.05Å; W576-L901 HydrophobicContact CZ3-CD1 4.26Å
577	K	95.7	Very high	92.9	Very high	96 Å²	96	35 Å²	35	42%	0.417	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	138.1	174.9	-62.1	178	-177.2	177.4	0	109.1	M598 D699	K577-M598 PolarHBondContact N-O 3.05Å; K577-M598 PolarHBondContact O-N 2.95Å; K577-D699 IonicContact NZ-OD2 3.12Å; K577-D699 PolarHBondContact NZ-OD2 2.95Å
578	P	96.1	Very high	92.1	Very high	18 Å²	18	40 Å²	40	12%	0.117	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	145.4	179.1	30.4	-36.3	0	0	0	111.4	W576 Y580 Y595 L901 A902	W576-P578 HydrophobicContact CZ3-CB 4.02Å; P578-Y580 HydrophobicContact CB-CE2 4.29Å; P578-Y595 HydrophobicContact CB-CE2 3.91Å; P578-L901 HydrophobicContact CB-CB 4.02Å; P578-L901 HydrophobicContact CB-CD1 4.37Å; P578-L901 HydrophobicContact CG-CB 3.88Å; P578-L901 HydrophobicContact CG-CD1 4.36Å; P578-A902 WeakPolarHBondContact CG-O 3.46Å
579	A	97	Very high	91.5	Very high	15 Å²	15	39.9 Å²	39.9	12%	0.124	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	154.5	173.9	0	0	0	0	0	111.8	Y596 M598	A579-Y596 PolarHBondContact N-O 3.03Å; A579-Y596 WeakPolarHBondContact O-CA 3.39Å; A579-Y596 WeakPolarHBondContact O-CB 3.47Å; A579-Y596 PolarHBondContact O-N 2.82Å; A579-M598 HydrophobicContact CB-CG 3.64Å; A579-M598 HydrophobicContact CB-SD 4.16Å
580	Y	96.6	Very high	91.2	Very high	1 Å²	1	41.4 Å²	41.4	0%	0.004	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	144.3	-171.8	-55.4	-85.8	0	0	0	114	P578 I593 V594 Y595 I900 L901 P904 T905 N906 I919	P578-Y580 HydrophobicContact CB-CE2 4.29Å; Y580-I593 HydrophobicContact CD1-CG2 3.68Å; Y580-I593 HydrophobicContact CG-CG2 4.3Å; Y580-V594 WeakPolarHBondContact CA-O 3.49Å; Y580-Y595 AromaticContact CD1-CD2 3.88Å; Y580-Y595 HydrophobicContact CD1-CD2 3.88Å; Y580-Y595 HydrophobicContact CD1-CG 4.17Å; Y580-Y595 HydrophobicContact CE1-CD1 4.22Å; Y580-Y595 AromaticContact CE1-CD2 3.19Å; Y580-Y595 HydrophobicContact CE1-CD2 3.19Å; Y580-Y595 AromaticContact CE1-CE2 3.69Å; Y580-Y595 HydrophobicContact CE1-CE2 3.69Å; Y580-Y595 AromaticContact CE1-CG 3.52Å; Y580-Y595 HydrophobicContact CE1-CG 3.52Å; Y580-Y595 AromaticContact CZ-CD2 3.68Å; Y580-Y595 AromaticContact CZ-CE2 3.68Å; Y580-Y595 WeakPolarHBondContact OH-CE2 3.38Å; Y580-I900 HydrophobicContact CE1-CG2 4.05Å; Y580-I900 HydrophobicContact CE2-CG2 4.47Å; Y580-I900 WeakPolarHBondContact OH-CG2 3.32Å; Y580-L901 WeakPolarHBondContact CE2-O 3.36Å; Y580-L901 PolarHBondContact OH-N 3.26Å; Y580-L901 PolarHBondContact OH-O 3.36Å; Y580-P904 PolarHBondContact N-O 3.2Å; Y580-T905 CarbonylContact O-C 3.56Å; Y580-T905 WeakPolarHBondContact O-CA 3.34Å; Y580-N906 PolarHBondContact O-N 2.96Å; Y580-I919 HydrophobicContact CD2-CG2 3.37Å; Y580-I919 HydrophobicContact CE2-CG2 3.28Å; Y580-I919 HydrophobicContact CG-CG2 4.12Å
581	D	96.1	Very high	91.1	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	114.8	159.2	-84	15	0	0	0	108.3	R583 V594 Y596 R862 N906 Y908	D581-R583 IonicContact OD2-CZ 3.58Å; D581-R583 IonicContact OD2-NE 3.48Å; D581-R583 IonicContact OD2-NH2 2.89Å; D581-R583 PolarHBondContact OD2-NH2 3.34Å; D581-V594 HydrophobicContact CB-CB 4.18Å; D581-V594 HydrophobicContact CB-CG2 4.34Å; D581-V594 PolarHBondContact N-O 3.04Å; D581-V594 VanDerWaalsContact N-O 3.08Å; D581-V594 PolarHBondContact O-N 2.96Å; D581-Y596 HydrophobicContact CB-CE2 3.98Å; D581-R862 IonicContact OD1-NH1 3.62Å; D581-N906 PolarHBondContact OD1-ND2 3.17Å; D581-Y908 HydrophobicContact CB-CD2 4.48Å; D581-Y908 HydrophobicContact CB-CE2 3.98Å; D581-Y908 WeakPolarHBondContact OD2-CE2 3.42Å
582	I	95	Very high	91.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	125.5	171.3	-67.1	-174	0	0	0	109.6	M591 I593 T905 N906 I907 Y908 C930 L932	I582-M591 HydrophobicContact CG2-CG 3.69Å; I582-M591 HydrophobicContact CG2-SD 3.77Å; I582-I593 HydrophobicContact CD1-CD1 4.08Å; I582-I593 HydrophobicContact CD1-CG1 4.31Å; I582-I593 HydrophobicContact CG1-CB 4.38Å; I582-I593 HydrophobicContact CG1-CD1 4.29Å; I582-I593 HydrophobicContact CG1-CG1 4Å; I582-I593 HydrophobicContact CG1-CG2 3.99Å; I582-T905 HydrophobicContact CB-CG2 4.15Å; I582-T905 HydrophobicContact CD1-CG2 3.62Å; I582-T905 HydrophobicContact CG1-CG2 3.59Å; I582-N906 PolarHBondContact N-O 2.84Å; I582-I907 WeakPolarHBondContact O-CA 3.45Å; I582-Y908 PolarHBondContact O-N 3.49Å; I582-C930 HydrophobicContact CD1-CB 4.4Å; I582-C930 VanDerWaalsContact CD1-SG 3.59Å; I582-L932 HydrophobicContact CG2-CD2 4.36Å
583	R	93.7	Very high	91.3	Very high	56 Å²	56	41 Å²	41	21%	0.211	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	114.7	-179.3	-58	-176	176.7	-85.6	-16.4	110	D581 F585 M591 K592 Y908	D581-R583 IonicContact OD2-CZ 3.58Å; D581-R583 IonicContact OD2-NE 3.48Å; D581-R583 IonicContact OD2-NH2 2.89Å; D581-R583 PolarHBondContact OD2-NH2 3.34Å; R583-F585 HydrophobicContact CB-CE2 3.85Å; R583-F585 HydrophobicContact CB-CZ 4.03Å; R583-M591 CarbonylContact O-C 3.58Å; R583-M591 WeakPolarHBondContact O-CA 3.46Å; R583-K592 HydrophobicContact CB-CB 4.49Å; R583-K592 PolarHBondContact N-O 3.23Å; R583-K592 PolarHBondContact O-N 3.21Å; R583-Y908 WeakPolarHBondContact CA-O 3.17Å; R583-Y908 HydrophobicContact CG-CD2 4.14Å; R583-Y908 HydrophobicContact CG-CG 4.43Å
584	I	91.5	Very high	91.6	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	135.6	177.9	-59.9	146.4	0	0	0	108.5	Y874 I907 Y908 A909 D910 I914 L932	I584-Y874 HydrophobicContact CG2-CE1 4.2Å; I584-I907 HydrophobicContact CD1-CG2 3.76Å; I584-Y908 PolarHBondContact N-O 2.96Å; I584-A909 HydrophobicContact CB-CB 4.48Å; I584-D910 PolarHBondContact O-N 3.24Å; I584-I914 HydrophobicContact CD1-CD1 4.43Å; I584-L932 HydrophobicContact CD1-CB 4.11Å; I584-L932 HydrophobicContact CD1-CD1 3.65Å; I584-L932 HydrophobicContact CD1-CD2 4.13Å; I584-L932 HydrophobicContact CD1-CG 4.16Å; I584-L932 HydrophobicContact CG1-CD1 4.06Å
585	F	87.7	Confident	91.6	Very high	43 Å²	43	36.4 Å²	36.4	19%	0.189	19%	0.193	C	C	.	.			trans	-118.9	108	174.4	-62.4	-82.1	0	0	0	109.4	R583 N587 D588 G589 T590 K592 D910	R583-F585 HydrophobicContact CB-CE2 3.85Å; R583-F585 HydrophobicContact CB-CZ 4.03Å; F585-N587 VanDerWaalsContact C-N 3.25Å; F585-N587 PolarHBondContact O-N 3.03Å; F585-D588 WeakPolarHBondContact CB-OD1 3.46Å; F585-G589 WeakPolarHBondContact O-CA 3.3Å; F585-G589 PolarHBondContact O-N 3.28Å; F585-T590 PolarHBondContact N-O 3.38Å; F585-K592 HydrophobicContact CD2-CG 4.43Å; F585-K592 HydrophobicContact CE2-CB 4.38Å; F585-K592 HydrophobicContact CE2-CD 3.8Å; F585-K592 HydrophobicContact CE2-CG 3.87Å; F585-K592 HydrophobicContact CZ-CD 4.46Å; F585-D910 WeakPolarHBondContact CA-OD1 3.29Å
586	N	78.5	Confident	91.7	Very high	99 Å²	99	37.3 Å²	37.3	53%	0.529	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-22.3	-171.3	-73.3	-53.7	0	0	0	113.1	D910	N586-D910 WeakPolarHBondContact CB-OD2 3.22Å; N586-D910 PolarHBondContact N-OD1 2.75Å; N586-D910 PolarHBondContact ND2-OD2 3.04Å
587	N	77.7	Confident	91.7	Very high	159 Å²	159	37.2 Å²	37.2	85%	0.85	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-29.1	-176.4	-66.2	-45.1	0	0	0	114.1	F585	F585-N587 VanDerWaalsContact C-N 3.25Å; F585-N587 PolarHBondContact O-N 3.03Å
588	D	80.7	Confident	91.8	Very high	107 Å²	107	34.7 Å²	34.7	57%	0.572	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.3	-7.4	-179	62	23.1	0	0	0	113.6	F585 T590	F585-D588 WeakPolarHBondContact CB-OD1 3.46Å; D588-T590 HydrophobicContact CB-CG2 4.37Å; D588-T590 PolarHBondContact O-N 2.62Å; D588-T590 VanDerWaalsContact OD1-CB 3.29Å; D588-T590 WeakPolarHBondContact OD1-CB 3.36Å; D588-T590 WeakPolarHBondContact OD1-CG2 3.42Å; D588-T590 PolarHBondContact OD1-N 3.19Å; D588-T590 PolarHBondContact OD1-OG1 2.93Å; D588-T590 PolarHBondContact OD2-OG1 2.93Å
589	G	82.6	Confident	91.8	Very high	28 Å²	28	33.8 Å²	33.8	29%	0.289	18%	0.179	S	C	.	.			trans	74.7	9.9	-179.5	0	0	0	0	0	114	F585 Y874	F585-G589 WeakPolarHBondContact O-CA 3.3Å; F585-G589 PolarHBondContact O-N 3.28Å; G589-Y874 WeakPolarHBondContact O-CE2 3.43Å
590	T	89.5	Confident	91.8	Very high	33 Å²	33	36.3 Å²	36.3	20%	0.202	19%	0.188	C	C	.	.			trans	-78.5	156.9	179.3	65.4	0	0	0	0	112.2	F585 D588 Y874	F585-T590 PolarHBondContact N-O 3.38Å; D588-T590 HydrophobicContact CB-CG2 4.37Å; D588-T590 PolarHBondContact O-N 2.62Å; D588-T590 VanDerWaalsContact OD1-CB 3.29Å; D588-T590 WeakPolarHBondContact OD1-CB 3.36Å; D588-T590 WeakPolarHBondContact OD1-CG2 3.42Å; D588-T590 PolarHBondContact OD1-N 3.19Å; D588-T590 PolarHBondContact OD1-OG1 2.93Å; D588-T590 PolarHBondContact OD2-OG1 2.93Å; T590-Y874 PolarHBondContact O-OH 2.91Å
591	M	93.1	Very high	91.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	128.1	171.9	-177.9	179.8	69.6	0	0	108.9	I582 R583 I593 L870 P872 A890 A892 F928	I582-M591 HydrophobicContact CG2-CG 3.69Å; I582-M591 HydrophobicContact CG2-SD 3.77Å; R583-M591 CarbonylContact O-C 3.58Å; R583-M591 WeakPolarHBondContact O-CA 3.46Å; M591-I593 HydrophobicContact CE-CD1 4.16Å; M591-I593 HydrophobicContact CE-CG1 4.34Å; M591-L870 HydrophobicContact CE-CB 4.16Å; M591-L870 HydrophobicContact CE-CD1 3.96Å; M591-L870 PolarHBondContact N-O 3.39Å; M591-L870 PolarHBondContact O-N 3.37Å; M591-L870 VanDerWaalsContact O-O 3.07Å; M591-P872 HydrophobicContact CB-CG 3.7Å; M591-P872 HydrophobicContact CE-CB 4.29Å; M591-P872 HydrophobicContact CE-CG 4.35Å; M591-P872 HydrophobicContact SD-CG 4.29Å; M591-A890 HydrophobicContact SD-CB 4.11Å; M591-A892 HydrophobicContact CE-CB 4.02Å; M591-F928 HydrophobicContact CE-CZ 4.39Å
592	K	94.4	Very high	91.6	Very high	77 Å²	77	37.7 Å²	37.7	34%	0.335	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	123.7	175.8	-56.8	-172.6	171.9	-86.4	0	108.9	R583 F585 L868 D869	R583-K592 HydrophobicContact CB-CB 4.49Å; R583-K592 PolarHBondContact N-O 3.23Å; R583-K592 PolarHBondContact O-N 3.21Å; F585-K592 HydrophobicContact CD2-CG 4.43Å; F585-K592 HydrophobicContact CE2-CB 4.38Å; F585-K592 HydrophobicContact CE2-CD 3.8Å; F585-K592 HydrophobicContact CE2-CG 3.87Å; F585-K592 HydrophobicContact CZ-CD 4.46Å; K592-L868 WeakPolarHBondContact CA-O 3.42Å; K592-D869 WeakPolarHBondContact CD-OD1 3.19Å; K592-D869 VanDerWaalsContact CG-OD1 3.28Å; K592-D869 WeakPolarHBondContact CG-OD1 3.37Å; K592-D869 IonicContact NZ-OD1 2.62Å; K592-D869 PolarHBondContact NZ-OD1 2.98Å; K592-D869 IonicContact NZ-OD2 2.66Å; K592-D869 PolarHBondContact NZ-OD2 3.38Å
593	I	95.3	Very high	91.4	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	116.7	170.9	-44.5	-169.7	0	0	0	107.8	Y580 I582 M591 L868 L870 I919 F928	Y580-I593 HydrophobicContact CD1-CG2 3.68Å; Y580-I593 HydrophobicContact CG-CG2 4.3Å; I582-I593 HydrophobicContact CD1-CD1 4.08Å; I582-I593 HydrophobicContact CD1-CG1 4.31Å; I582-I593 HydrophobicContact CG1-CB 4.38Å; I582-I593 HydrophobicContact CG1-CD1 4.29Å; I582-I593 HydrophobicContact CG1-CG1 4Å; I582-I593 HydrophobicContact CG1-CG2 3.99Å; M591-I593 HydrophobicContact CE-CD1 4.16Å; M591-I593 HydrophobicContact CE-CG1 4.34Å; I593-L868 HydrophobicContact CB-CB 4.2Å; I593-L868 PolarHBondContact N-O 3.35Å; I593-L868 PolarHBondContact O-N 2.76Å; I593-L870 HydrophobicContact CD1-CD1 3.87Å; I593-L870 HydrophobicContact CG1-CD1 4.22Å; I593-I919 HydrophobicContact CD1-CD1 4.1Å; I593-F928 HydrophobicContact CD1-CE2 4.27Å; I593-F928 HydrophobicContact CD1-CZ 3.95Å
594	V	95.9	Very high	91.2	Very high	15 Å²	15	36.7 Å²	36.7	9%	0.091	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	120.1	166.6	-169.2	0	0	0	0	107.4	Y580 D581 Y596 T864 L867	Y580-V594 WeakPolarHBondContact CA-O 3.49Å; D581-V594 HydrophobicContact CB-CB 4.18Å; D581-V594 HydrophobicContact CB-CG2 4.34Å; D581-V594 PolarHBondContact N-O 3.04Å; D581-V594 VanDerWaalsContact N-O 3.08Å; D581-V594 PolarHBondContact O-N 2.96Å; V594-Y596 HydrophobicContact CB-CE2 4.08Å; V594-Y596 HydrophobicContact CG1-CD1 4.14Å; V594-Y596 HydrophobicContact CG1-CD2 4.49Å; V594-Y596 HydrophobicContact CG1-CE1 3.47Å; V594-Y596 VanDerWaalsContact CG1-CE1 3.47Å; V594-Y596 HydrophobicContact CG1-CE2 3.88Å; V594-Y596 WeakPolarHBondContact CG1-OH 3.42Å; V594-T864 HydrophobicContact CG1-CG2 4.2Å; V594-L867 HydrophobicContact CB-CD2 4.14Å; V594-L867 HydrophobicContact CG1-CD2 3.77Å; V594-L867 HydrophobicContact CG2-CD2 3.78Å
595	Y	96	Very high	91.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	120.4	178.1	-176.3	-172.2	0	0	0	109.2	P578 Y580 L845 V865 G866 L901	P578-Y595 HydrophobicContact CB-CE2 3.91Å; Y580-Y595 AromaticContact CD1-CD2 3.88Å; Y580-Y595 HydrophobicContact CD1-CD2 3.88Å; Y580-Y595 HydrophobicContact CD1-CG 4.17Å; Y580-Y595 HydrophobicContact CE1-CD1 4.22Å; Y580-Y595 AromaticContact CE1-CD2 3.19Å; Y580-Y595 HydrophobicContact CE1-CD2 3.19Å; Y580-Y595 AromaticContact CE1-CE2 3.69Å; Y580-Y595 HydrophobicContact CE1-CE2 3.69Å; Y580-Y595 AromaticContact CE1-CG 3.52Å; Y580-Y595 HydrophobicContact CE1-CG 3.52Å; Y580-Y595 AromaticContact CZ-CD2 3.68Å; Y580-Y595 AromaticContact CZ-CE2 3.68Å; Y580-Y595 WeakPolarHBondContact OH-CE2 3.38Å; Y595-L845 HydrophobicContact CE1-CD1 4.06Å; Y595-L845 HydrophobicContact CE1-CD2 4.49Å; Y595-L845 WeakPolarHBondContact OH-CD1 3.42Å; Y595-V865 HydrophobicContact CD1-CB 4.02Å; Y595-V865 HydrophobicContact CD1-CG1 3.65Å; Y595-V865 HydrophobicContact CD2-CB 4.41Å; Y595-V865 HydrophobicContact CE1-CB 4.46Å; Y595-V865 HydrophobicContact CE1-CG1 3.87Å; Y595-V865 HydrophobicContact CG-CB 4Å; Y595-V865 HydrophobicContact CG-CG1 4.16Å; Y595-V865 PolarHBondContact O-N 3Å; Y595-G866 PolarHBondContact N-O 2.82Å; Y595-G866 PolarHBondContact O-N 2.86Å; Y595-L901 WeakPolarHBondContact OH-CD1 3.41Å; Y595-L901 WeakPolarHBondContact OH-CG 3.3Å
596	Y	96.8	Very high	91.5	Very high	29 Å²	29	38.3 Å²	38.3	11%	0.114	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	150	173.6	-51.3	-73.2	0	0	0	111.9	A579 D581 V594 R862 V863	A579-Y596 PolarHBondContact N-O 3.03Å; A579-Y596 WeakPolarHBondContact O-CA 3.39Å; A579-Y596 WeakPolarHBondContact O-CB 3.47Å; A579-Y596 PolarHBondContact O-N 2.82Å; D581-Y596 HydrophobicContact CB-CE2 3.98Å; V594-Y596 HydrophobicContact CB-CE2 4.08Å; V594-Y596 HydrophobicContact CG1-CD1 4.14Å; V594-Y596 HydrophobicContact CG1-CD2 4.49Å; V594-Y596 HydrophobicContact CG1-CE1 3.47Å; V594-Y596 VanDerWaalsContact CG1-CE1 3.47Å; V594-Y596 HydrophobicContact CG1-CE2 3.88Å; V594-Y596 WeakPolarHBondContact CG1-OH 3.42Å; Y596-R862 HydrophobicContact CD1-CG 3.53Å; Y596-R862 HydrophobicContact CD2-CG 4.34Å; Y596-R862 HydrophobicContact CE1-CG 4.09Å; Y596-R862 VanDerWaalsContact CE2-NH1 3.34Å; Y596-R862 HydrophobicContact CG-CG 3.66Å; Y596-V863 CarbonylContact C-O 3.6Å; Y596-V863 WeakPolarHBondContact CA-O 3.45Å
597	G	96.3	Very high	92.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	131.4	151	0	0	0	0	0	109.3	V863	G597-V863 PolarHBondContact N-O 3.37Å; G597-V863 PolarHBondContact O-N 3.41Å
598	M	96.9	Very high	93.1	Very high	42 Å²	42	32.6 Å²	32.6	21%	0.207	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	103.9	165.8	-57.4	-55.6	-55.2	0	0	106.9	W576 K577 A579 P860 R862	W576-M598 CarbonylContact C-O 3.51Å; W576-M598 WeakPolarHBondContact CA-O 3.49Å; K577-M598 PolarHBondContact N-O 3.05Å; K577-M598 PolarHBondContact O-N 2.95Å; A579-M598 HydrophobicContact CB-CG 3.64Å; A579-M598 HydrophobicContact CB-SD 4.16Å; M598-P860 HydrophobicContact CE-CB 3.87Å; M598-P860 HydrophobicContact CE-CG 4.45Å; M598-P860 WeakPolarHBondContact CE-O 3.38Å; M598-R862 HydrophobicContact CE-CB 3.9Å; M598-R862 HydrophobicContact CE-CG 4.44Å; M598-R862 HydrophobicContact SD-CB 3.81Å; M598-R862 HydrophobicContact SD-CG 3.72Å
599	V	97.4	Very high	93.4	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	130.3	-177	179.5	0	0	0	0	108.9	V313 W576 W607 M612 L614 I854 P860 N861 V863	V313-V599 HydrophobicContact CG1-CG1 4.35Å; V313-V599 HydrophobicContact CG2-CG1 4.33Å; W576-V599 HydrophobicContact CB-CG2 3.97Å; V599-W607 HydrophobicContact CG1-CZ3 4.23Å; V599-M612 HydrophobicContact CB-CE 4.26Å; V599-M612 HydrophobicContact CG1-CE 3.82Å; V599-M612 HydrophobicContact CG2-CE 3.73Å; V599-L614 HydrophobicContact CG2-CD2 3.72Å; V599-I854 HydrophobicContact CG1-CD1 4.32Å; V599-P860 CarbonylContact O-C 3.6Å; V599-N861 PolarHBondContact N-O 3.02Å; V599-N861 WeakPolarHBondContact O-CB 3.46Å; V599-N861 PolarHBondContact O-N 2.95Å; V599-V863 HydrophobicContact CG2-CG1 4.32Å; V599-V863 HydrophobicContact CG2-CG2 3.95Å
600	Q	96.1	Very high	93.6	Very high	67 Å²	67	36.5 Å²	36.5	31%	0.313	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	134.2	-174	-166	177.6	4	0	0	109	C574 G575 N858	C574-Q600 CarbonylContact C-O 3.54Å; C574-Q600 VanDerWaalsContact CA-O 3.22Å; C574-Q600 WeakPolarHBondContact CA-O 3.39Å; C574-Q600 WeakPolarHBondContact CB-O 3.48Å; G575-Q600 PolarHBondContact N-O 2.94Å; G575-Q600 PolarHBondContact O-N 2.94Å; Q600-N858 WeakPolarHBondContact CG-O 3.04Å; Q600-N858 PolarHBondContact NE2-O 2.58Å
601	Q	95.3	Very high	93.7	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	137.9	-175.1	79.6	94.3	-11.7	0	0	113.6	C574 T603 E605 W607 I854 R855 N858	C574-Q601 HydrophobicContact CB-CB 3.49Å; C574-Q601 VanDerWaalsContact CB-CB 3.49Å; Q601-T603 HydrophobicContact CB-CG2 4.3Å; Q601-T603 PolarHBondContact OE1-OG1 3.43Å; Q601-E605 PolarHBondContact NE2-O 2.76Å; Q601-W607 HydrophobicContact CB-CE3 4.34Å; Q601-W607 HydrophobicContact CB-CH2 3.73Å; Q601-W607 HydrophobicContact CB-CZ2 3.99Å; Q601-W607 HydrophobicContact CB-CZ3 3.91Å; Q601-W607 HydrophobicContact CG-CD2 4.09Å; Q601-W607 HydrophobicContact CG-CE3 4Å; Q601-W607 HydrophobicContact CG-CH2 4.25Å; Q601-W607 HydrophobicContact CG-CZ2 4.3Å; Q601-W607 HydrophobicContact CG-CZ3 4.08Å; Q601-I854 HydrophobicContact CG-CG2 4.07Å; Q601-I854 PolarHBondContact NE2-O 2.92Å; Q601-I854 VanDerWaalsContact NE2-O 3.09Å; Q601-R855 WeakPolarHBondContact CG-O 3.39Å; Q601-R855 PolarHBondContact NE2-O 3.41Å; Q601-N858 WeakPolarHBondContact O-CA 3.37Å; Q601-N858 PolarHBondContact O-N 2.85Å; Q601-N858 VanDerWaalsContact O-N 3.1Å
602	A	92.7	Very high	93.8	Very high	34 Å²	34	42.3 Å²	42.3	28%	0.281	20%	0.201	S	C	.	.			trans	-134.6	51	175.9	0	0	0	0	0	109.3	R573 N858	R573-A602 VanDerWaalsContact CB-O 3.3Å; R573-A602 WeakPolarHBondContact CB-O 3.38Å; R573-A602 WeakPolarHBondContact CD-O 3.5Å; R573-A602 PolarHBondContact O-N 3.3Å; A602-N858 HydrophobicContact CB-CB 4.05Å
603	T	92.3	Very high	93.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-88.6	-0.5	-169.4	64.9	0	0	0	0	114.9	S342 P343 A344 V571 N572 C574 Q601 E605 W607	S342-T603 WeakPolarHBondContact CB-O 3.29Å; S342-T603 PolarHBondContact OG-O 3.17Å; P343-T603 VanDerWaalsContact CD-O 3.26Å; P343-T603 WeakPolarHBondContact CD-O 3.15Å; A344-T603 HydrophobicContact CB-CG2 4.28Å; V571-T603 HydrophobicContact CB-CG2 4.15Å; V571-T603 HydrophobicContact CG2-CG2 3.9Å; N572-T603 VanDerWaalsContact O-CG2 3.23Å; N572-T603 WeakPolarHBondContact O-CG2 3.39Å; C574-T603 HydrophobicContact CB-CG2 3.68Å; Q601-T603 HydrophobicContact CB-CG2 4.3Å; Q601-T603 PolarHBondContact OE1-OG1 3.43Å; T603-E605 VanDerWaalsContact C-N 3.26Å; T603-E605 PolarHBondContact OG1-O 2.86Å; T603-W607 HydrophobicContact CG2-CZ2 3.64Å; T603-W607 PolarHBondContact OG1-NE1 2.66Å; T603-W607 VanDerWaalsContact OG1-NE1 3.14Å
604	G	88.8	Confident	93.9	Very high	35 Å²	35	39.9 Å²	39.9	36%	0.361	19%	0.192	S	C	.	.	S	Bend	trans	75.4	7.6	-172.3	0	0	0	0	0	114.5	C856	G604-C856 VanDerWaalsContact CA-SG 3.56Å; G604-C856 PolarHBondContact N-SG 2.96Å
605	E	91.8	Very high	93.9	Very high	5 Å²	5	39.1 Å²	39.1	2%	0.023	19%	0.188	C	C	.	.	S	Bend	trans	-138.5	139.9	174.1	60.9	176.3	147	0	0	111.8	F304 I320 R322 S342 Y569 Q601 T603	F304-E605 HydrophobicContact CD1-CB 3.7Å; F304-E605 HydrophobicContact CD1-CG 4.42Å; F304-E605 VanDerWaalsContact CD1-OE2 3.27Å; F304-E605 WeakPolarHBondContact CD1-OE2 3.45Å; F304-E605 HydrophobicContact CE1-CB 3.43Å; F304-E605 VanDerWaalsContact CE1-CB 3.43Å; F304-E605 HydrophobicContact CE1-CG 4.08Å; F304-E605 HydrophobicContact CE2-CB 4.41Å; F304-E605 HydrophobicContact CG-CB 4.33Å; F304-E605 HydrophobicContact CZ-CB 3.82Å; I320-E605 VanDerWaalsContact CD1-OE1 3.31Å; I320-E605 WeakPolarHBondContact CD1-OE1 3.32Å; R322-E605 IonicContact CZ-OE2 3.5Å; R322-E605 IonicContact NE-OE2 2.7Å; R322-E605 IonicContact NH2-OE2 3.44Å; R322-E605 PolarHBondContact NH2-OE2 3.31Å; S342-E605 VanDerWaalsContact CB-OE1 3.32Å; S342-E605 WeakPolarHBondContact CB-OE1 3.45Å; Y569-E605 PolarHBondContact OH-OE1 2.88Å; Q601-E605 PolarHBondContact NE2-O 2.76Å; T603-E605 VanDerWaalsContact C-N 3.26Å; T603-E605 PolarHBondContact OG1-O 2.86Å
606	D	94.2	Very high	93.6	Very high	73 Å²	73	40.1 Å²	40.1	39%	0.39	19%	0.194	S	C	.	.			trans	-77.2	136.5	170.6	-89.6	14.7	0	0	0	110.3	I853 R855 C856	D606-I853 HydrophobicContact CB-CD1 3.96Å; D606-I853 HydrophobicContact CB-CG1 4.1Å; D606-I853 WeakPolarHBondContact OD2-CD1 3.41Å; D606-R855 VanDerWaalsContact OD1-CA 3.26Å; D606-R855 WeakPolarHBondContact OD1-CA 3.12Å; D606-C856 PolarHBondContact OD1-N 2.76Å
607	W	95.3	Very high	93	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-99.4	95.7	-173.3	-68.6	-4.8	0	0	0	112.6	M308 L311 V313 A318 V571 C574 V599 Q601 T603 I853 I854	M308-W607 HydrophobicContact CE-CB 3.7Å; M308-W607 HydrophobicContact CE-CG 4.12Å; L311-W607 HydrophobicContact CD1-CD2 4.25Å; L311-W607 HydrophobicContact CD1-CE3 4.15Å; L311-W607 HydrophobicContact CD1-CH2 4.4Å; L311-W607 HydrophobicContact CD1-CZ3 4.23Å; L311-W607 HydrophobicContact CD2-CD2 4.09Å; L311-W607 HydrophobicContact CD2-CE3 3.53Å; L311-W607 HydrophobicContact CD2-CZ3 4.03Å; L311-W607 HydrophobicContact CG-CE3 4.46Å; V313-W607 HydrophobicContact CG2-CH2 4.4Å; V313-W607 HydrophobicContact CG2-CZ3 3.87Å; A318-W607 HydrophobicContact CB-CH2 3.54Å; A318-W607 HydrophobicContact CB-CZ2 3.91Å; A318-W607 HydrophobicContact CB-CZ3 4.41Å; V571-W607 HydrophobicContact CG2-CZ2 3.93Å; C574-W607 HydrophobicContact CB-CH2 3.67Å; C574-W607 HydrophobicContact CB-CZ2 4.06Å; V599-W607 HydrophobicContact CG1-CZ3 4.23Å; Q601-W607 HydrophobicContact CB-CE3 4.34Å; Q601-W607 HydrophobicContact CB-CH2 3.73Å; Q601-W607 HydrophobicContact CB-CZ2 3.99Å; Q601-W607 HydrophobicContact CB-CZ3 3.91Å; Q601-W607 HydrophobicContact CG-CD2 4.09Å; Q601-W607 HydrophobicContact CG-CE3 4Å; Q601-W607 HydrophobicContact CG-CH2 4.25Å; Q601-W607 HydrophobicContact CG-CZ2 4.3Å; Q601-W607 HydrophobicContact CG-CZ3 4.08Å; T603-W607 HydrophobicContact CG2-CZ2 3.64Å; T603-W607 PolarHBondContact OG1-NE1 2.66Å; T603-W607 VanDerWaalsContact OG1-NE1 3.14Å; W607-I853 WeakPolarHBondContact O-CA 3.25Å; W607-I854 HydrophobicContact CB-CB 4.21Å; W607-I854 HydrophobicContact CE3-CB 4.47Å; W607-I854 HydrophobicContact CE3-CG2 4.43Å; W607-I854 PolarHBondContact N-O 3.12Å; W607-I854 PolarHBondContact O-N 3.04Å
608	E	93.2	Very high	91.8	Very high	138 Å²	138	45.7 Å²	45.7	65%	0.645	22%	0.223	S	C	*	.			trans	-88.1	105	167.7	-67.2	-167.5	-169.3	0	0	111.4	M308 I853	M308-E608 WeakPolarHBondContact CE-O 3.47Å; E608-I853 HydrophobicContact CG-CB 4.38Å; E608-I853 HydrophobicContact CG-CD1 4.27Å; E608-I853 HydrophobicContact CG-CG1 4.09Å
609	T	87.2	Confident	90	Very high	9 Å²	9	46.9 Å²	46.9	6%	0.055	23%	0.234	C	C	.	.			trans	-131.1	153.1	175.5	-172.2	0	0	0	0	113.4	L311 Y611 M612 P850	L311-T609 HydrophobicContact CB-CG2 4.14Å; L311-T609 HydrophobicContact CD2-CG2 3.95Å; T609-Y611 PolarHBondContact OG1-N 3.13Å; T609-Y611 PolarHBondContact OG1-O 2.95Å; T609-M612 HydrophobicContact CG2-CB 4.13Å; T609-P850 HydrophobicContact CG2-CB 4.33Å
610	R	87.6	Confident	87.9	Confident	208 Å²	208	49.7 Å²	49.7	79%	0.785	26%	0.263	S	S	*	.	S	Bend	trans	-106.2	-8.7	167.1	-61.9	-175.8	-172.7	-100	-2.1	113.4
611	Y	91.9	Very high	85.9	Confident	154 Å²	154	54.1 Å²	54.1	60%	0.604	29%	0.287	S	S	*	.			trans	-136.5	116.7	-179.2	-66.4	-73.5	0	0	0	109.7	L311 T609	L311-Y611 PolarHBondContact N-O 2.98Å; L311-Y611 VanDerWaalsContact N-O 3.12Å; T609-Y611 PolarHBondContact OG1-N 3.13Å; T609-Y611 PolarHBondContact OG1-O 2.95Å
612	M	95.5	Very high	83.7	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.005	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	130.9	-174.4	-174.4	-177.3	-160	0	0	110.2	L311 V313 V599 T609 L614 V847 P850 I854 V863	L311-M612 HydrophobicContact CD2-CE 3.97Å; L311-M612 HydrophobicContact CD2-CG 4.23Å; L311-M612 WeakPolarHBondContact O-CA 3.26Å; V313-M612 HydrophobicContact CG2-CE 3.63Å; V599-M612 HydrophobicContact CB-CE 4.26Å; V599-M612 HydrophobicContact CG1-CE 3.82Å; V599-M612 HydrophobicContact CG2-CE 3.73Å; T609-M612 HydrophobicContact CG2-CB 4.13Å; M612-L614 HydrophobicContact CE-CD2 3.99Å; M612-V847 HydrophobicContact CB-CB 4.16Å; M612-V847 HydrophobicContact CB-CG2 4.26Å; M612-V847 HydrophobicContact CG-CB 4.44Å; M612-V847 HydrophobicContact CG-CG2 4.02Å; M612-V847 PolarHBondContact O-N 2.76Å; M612-V847 HydrophobicContact SD-CB 4.48Å; M612-V847 HydrophobicContact SD-CG2 4.08Å; M612-P850 HydrophobicContact CB-CB 3.88Å; M612-P850 HydrophobicContact CB-CG 4.44Å; M612-P850 HydrophobicContact SD-CB 4.2Å; M612-I854 HydrophobicContact CE-CD1 3.44Å; M612-I854 VanDerWaalsContact CE-CD1 3.44Å; M612-I854 HydrophobicContact SD-CD1 3.91Å; M612-V863 HydrophobicContact SD-CG1 4.4Å
613	T	95.8	Very high	82.1	Confident	26 Å²	26	59.4 Å²	59.4	16%	0.16	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	133.2	174	-54.9	0	0	0	0	108.8	L311 T312 V313 Q844 L845	L311-T613 PolarHBondContact O-N 2.86Å; T312-T613 CarbonylContact C-O 3.55Å; T312-T613 VanDerWaalsContact CA-O 3.31Å; T312-T613 WeakPolarHBondContact CA-O 3.46Å; T312-T613 HydrophobicContact CG2-CG2 4.31Å; V313-T613 PolarHBondContact N-O 3.01Å; T613-Q844 HydrophobicContact CG2-CB 4.03Å; T613-Q844 HydrophobicContact CG2-CG 4.43Å; T613-L845 CarbonylContact C-O 3.51Å; T613-L845 WeakPolarHBondContact CA-O 3.34Å
614	L	96.2	Very high	80.6	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	141.7	166	-53.2	-175.7	0	0	0	109.1	V313 W576 V599 M612 Q844 L845 V847 V863 V865	V313-L614 HydrophobicContact CB-CD2 4.01Å; V313-L614 HydrophobicContact CG2-CD2 4.35Å; V313-L614 CarbonylContact O-C 3.52Å; V313-L614 WeakPolarHBondContact O-CA 3.36Å; W576-L614 HydrophobicContact CB-CD2 4.31Å; W576-L614 HydrophobicContact CD2-CB 3.91Å; W576-L614 HydrophobicContact CD2-CD1 3.96Å; W576-L614 HydrophobicContact CD2-CD2 4.45Å; W576-L614 HydrophobicContact CD2-CG 4.34Å; W576-L614 HydrophobicContact CE3-CB 4.36Å; W576-L614 HydrophobicContact CE3-CD1 3.77Å; W576-L614 HydrophobicContact CG-CB 4.3Å; W576-L614 HydrophobicContact CG-CD1 4.38Å; W576-L614 HydrophobicContact CG-CD2 4.11Å; W576-L614 HydrophobicContact CH2-CB 4.29Å; W576-L614 HydrophobicContact CZ2-CB 3.89Å; W576-L614 HydrophobicContact CZ3-CD1 4.12Å; V599-L614 HydrophobicContact CG2-CD2 3.72Å; M612-L614 HydrophobicContact CE-CD2 3.99Å; L614-Q844 CarbonylContact O-C 3.54Å; L614-Q844 WeakPolarHBondContact O-CA 3.37Å; L614-L845 HydrophobicContact CB-CB 4.29Å; L614-L845 PolarHBondContact N-O 3.5Å; L614-L845 PolarHBondContact O-N 3.33Å; L614-V847 HydrophobicContact CD1-CG2 4.24Å; L614-V847 HydrophobicContact CD2-CG2 4.33Å; L614-V847 HydrophobicContact CG-CG2 3.81Å; L614-V863 HydrophobicContact CD1-CG2 3.84Å; L614-V865 HydrophobicContact CD1-CG2 3.82Å
615	S	94.4	Very high	80	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	137.9	-169.1	-178.8	0	0	0	0	112.1	V313 F314 W576 A617 I843	V313-S615 PolarHBondContact O-N 3.07Å; F314-S615 WeakPolarHBondContact CA-O 3.31Å; F314-S615 VanDerWaalsContact CD1-CB 3.49Å; F314-S615 VanDerWaalsContact CD1-OG 3.28Å; F314-S615 WeakPolarHBondContact CD1-OG 3.46Å; F314-S615 WeakPolarHBondContact CE1-OG 2.88Å; W576-S615 PolarHBondContact NE1-O 3.16Å; S615-A617 VanDerWaalsContact OG-CB 3.29Å; S615-A617 WeakPolarHBondContact OG-CB 3.5Å; S615-A617 PolarHBondContact OG-N 2.82Å; S615-A617 VanDerWaalsContact OG-N 3.16Å; S615-I843 WeakPolarHBondContact CA-O 3.43Å
616	T	90.6	Very high	79.2	Confident	20 Å²	20	74.7 Å²	74.7	12%	0.123	43%	0.434	C	S	.	.			trans	-94.6	4.5	167.8	64.1	0	0	0	0	113.3	W576 I843 L901	W576-T616 HydrophobicContact CZ2-CG2 4.04Å; T616-I843 HydrophobicContact CG2-CB 4.26Å; T616-I843 PolarHBondContact N-O 3.05Å; T616-I843 PolarHBondContact OG1-N 2.86Å; T616-L901 HydrophobicContact CG2-CD1 3.46Å; T616-L901 VanDerWaalsContact CG2-CD1 3.46Å; T616-L901 HydrophobicContact CG2-CD2 4.01Å; T616-L901 HydrophobicContact CG2-CG 4.38Å
617	A	83.7	Confident	78.1	Confident	14 Å²	14	79.9 Å²	79.9	12%	0.116	46%	0.455	C	S	.	.			trans	-62.7	147.4	177.2	0	0	0	0	0	111.7	F314 S615 P619 T842	F314-A617 HydrophobicContact CD1-CB 4Å; F314-A617 WeakPolarHBondContact CD1-O 3.36Å; F314-A617 HydrophobicContact CE1-CB 3.95Å; S615-A617 VanDerWaalsContact OG-CB 3.29Å; S615-A617 WeakPolarHBondContact OG-CB 3.5Å; S615-A617 PolarHBondContact OG-N 2.82Å; S615-A617 VanDerWaalsContact OG-N 3.16Å; A617-P619 WeakPolarHBondContact O-CD 3.37Å; A617-T842 HydrophobicContact CB-CG2 3.51Å
618	Q	71.3	Confident	77.4	Confident	132 Å²	132	88.3 Å²	88.3	62%	0.617	50%	0.5	S	S	*	.			trans	-109.9	79.4	162.3	-70.8	-177.4	-14.6	0	0	109.6	G620	Q618-G620 PolarHBondContact O-N 2.95Å
619	P	58.7	Low	76.6	Confident	68 Å²	68	85 Å²	85	44%	0.442	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	79.3	176.3	32.9	-35.3	0	0	0	109.7	F314 R317 A617	F314-P619 HydrophobicContact CD1-CG 4.02Å; F314-P619 HydrophobicContact CE1-CG 3.65Å; F314-P619 HydrophobicContact CE2-CG 4.17Å; F314-P619 HydrophobicContact CG-CG 4.46Å; F314-P619 HydrophobicContact CZ-CG 3.73Å; R317-P619 PolarHBondContact NH1-O 2.8Å; A617-P619 WeakPolarHBondContact O-CD 3.37Å
620	G	53.7	Low	76.2	Confident	58 Å²	58	91.6 Å²	91.6	60%	0.598	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-165	-0	-176.8	0	0	0	0	0	115.6	Q618 G622	Q618-G620 PolarHBondContact O-N 2.95Å; G620-G622 PolarHBondContact O-N 3.03Å
621	I	53.3	Low	75.6	Confident	160 Å²	160	90.3 Å²	90.3	82%	0.821	54%	0.539	S	S	*	.			trans	-70.2	101.5	170.5	-57.1	176.2	0	0	0	107.4
622	G	50	Low	74.6	Confident	52 Å²	52	92.2 Å²	92.2	54%	0.536	55%	0.545	S	S	.	.			trans	-61.8	146	-177.1	0	0	0	0	0	112.7	G620 T624	G620-G622 PolarHBondContact O-N 3.03Å; G622-T624 PolarHBondContact O-N 3.2Å
623	G	57.9	Low	73.6	Confident	94 Å²	94	98.9 Å²	98.9	97%	0.969	59%	0.585	S	S	*	*	S	Bend	trans	-70.6	-6.1	178.7	0	0	0	0	0	114.9
624	T	60.8	Low	72.5	Confident	124 Å²	124	104.4 Å²	104.4	76%	0.761	61%	0.609	S	S	*	*	S	Bend	trans	-84	122.8	174.2	33.9	0	0	0	0	110.8	G622	G622-T624 PolarHBondContact O-N 3.2Å
625	V	77.2	Confident	71.3	Confident	129 Å²	129	114 Å²	114	78%	0.782	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-61.4	130.2	175.5	63.6	0	0	0	0	110.6	H627	V625-H627 PolarHBondContact O-N 2.99Å
626	P	74.5	Confident	69.4	Low	108 Å²	108	124.8 Å²	124.8	70%	0.701	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-66.3	132.7	175.7	26.8	-34	0	0	0	110.3
627	H	70.9	Confident	67.3	Low	182 Å²	182	134.2 Å²	134.2	84%	0.843	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-85.3	127.8	-179	40.1	-90.3	0	0	0	111	V625 G629	V625-H627 PolarHBondContact O-N 2.99Å; H627-G629 PolarHBondContact O-N 3.12Å
628	L	80.4	Confident	65.3	Low	178 Å²	178	140.4 Å²	140.4	93%	0.932	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-70.9	124.2	178.5	-73.4	169.4	0	0	0	111.2
629	G	77.6	Confident	64	Low	69 Å²	69	140.8 Å²	140.8	71%	0.711	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-74.6	154.6	169.1	0	0	0	0	0	112.4	H627 Q631	H627-G629 PolarHBondContact O-N 3.12Å; G629-Q631 PolarHBondContact O-N 3.47Å
630	I	79.1	Confident	63.3	Low	146 Å²	146	140.9 Å²	140.9	75%	0.749	76%	0.763	S	S	*	*			trans	-76	106.1	175.6	-59	174.4	0	0	0	109.2	R632	I630-R632 HydrophobicContact CG2-CG 4.19Å; I630-R632 PolarHBondContact O-N 2.94Å
631	Q	74.2	Confident	62.8	Low	182 Å²	182	143.7 Å²	143.7	85%	0.85	77%	0.771	S	S	*	*			trans	-63.1	133.6	163.9	-79	-169.6	-9	0	0	110.1	G629	G629-Q631 PolarHBondContact O-N 3.47Å
632	R	71.6	Confident	62.3	Low	193 Å²	193	142 Å²	142	73%	0.728	76%	0.764	S	S	*	*			trans	-120.1	116	174.5	-67	-176.9	175.3	175.9	-0.6	109.3	I630	I630-R632 HydrophobicContact CG2-CG 4.19Å; I630-R632 PolarHBondContact O-N 2.94Å
633	V	73.1	Confident	61.7	Low	141 Å²	141	142.2 Å²	142.2	86%	0.855	76%	0.757	S	S	*	*			trans	-82.8	134.4	173	-178.8	0	0	0	0	109
634	H	74	Confident	60.7	Low	142 Å²	142	142.3 Å²	142.3	66%	0.657	74%	0.743	S	S	*	*			trans	-131.7	145.1	176.7	-61.2	-32.8	0	0	0	108.7	R636	H634-R636 PolarHBondContact O-N 3.16Å
635	F	70.3	Confident	59.6	Low	202 Å²	202	147 Å²	147	89%	0.886	75%	0.747	S	S	*	*			trans	-59.2	138.1	168.4	-68.4	-74.4	0	0	0	109.4	R637	F635-R637 PolarHBondContact O-N 3.19Å
636	R	55.4	Low	57.7	Low	227 Å²	227	148.6 Å²	148.6	86%	0.857	75%	0.746	S	S	*	*			trans	-57.3	111.6	171.8	-167.1	-175.5	-151.3	171.1	7.8	107.3	H634 D638	H634-R636 PolarHBondContact O-N 3.16Å; R636-D638 PolarHBondContact O-N 3.47Å
637	R	45.5	Very low	55.7	Low	218 Å²	218	151.1 Å²	151.1	82%	0.823	75%	0.752	S	S	*	*			trans	-73.5	116	168.6	-65.3	-171.1	-171.8	117.5	1	106.6	F635 I639	F635-R637 PolarHBondContact O-N 3.19Å; R637-I639 PolarHBondContact O-N 3.08Å; R637-I639 VanDerWaalsContact O-N 3.1Å
638	D	42.4	Very low	53.8	Low	143 Å²	143	151.8 Å²	151.8	77%	0.765	76%	0.756	S	S	*	*			trans	-62.7	113.3	167.6	-64.6	-46	0	0	0	107.8	R636 S640	R636-D638 PolarHBondContact O-N 3.47Å; D638-S640 PolarHBondContact O-N 3.21Å
639	I	43.9	Very low	51.6	Low	141 Å²	141	147.8 Å²	147.8	72%	0.723	74%	0.743	S	S	*	*			trans	-72.3	97.8	176.3	-61.3	173.6	0	0	0	106.1	R637 S643	R637-I639 PolarHBondContact O-N 3.08Å; R637-I639 VanDerWaalsContact O-N 3.1Å; I639-S643 WeakPolarHBondContact CG2-OG 3.22Å
640	S	43.5	Very low	49.4	Very low	69 Å²	69	150.8 Å²	150.8	48%	0.483	75%	0.747	S	S	.	*			trans	-63.4	138.6	173.7	65	0	0	0	0	109.4	D638 D642 S643	D638-S640 PolarHBondContact O-N 3.21Å; S640-D642 PolarHBondContact O-N 2.91Å; S640-S643 PolarHBondContact O-N 3.36Å; S640-S643 VanDerWaalsContact O-N 3.15Å; S640-S643 PolarHBondContact O-OG 2.77Å
641	P	44.1	Very low	47.1	Very low	117 Å²	117	151.1 Å²	151.1	76%	0.76	75%	0.75	S	S	*	*	G	3₁₀ helix	trans	-59.4	-16.7	-177.7	-27.8	36.1	0	0	0	115.5	S643	P641-S643 VanDerWaalsContact C-N 3.3Å; P641-S643 PolarHBondContact O-N 3.09Å
642	D	42.2	Very low	45	Very low	125 Å²	125	151.3 Å²	151.3	67%	0.668	75%	0.748	S	S	*	*	G	3₁₀ helix	trans	-67.6	-26.8	177	-98.8	-35.1	0	0	0	113.7	S640 S644 R645	S640-D642 PolarHBondContact O-N 2.91Å; D642-S644 PolarHBondContact O-N 3.05Å; D642-S644 VanDerWaalsContact O-N 3.09Å; D642-R645 PolarHBondContact O-N 2.99Å
643	S	37.9	Very low	43	Very low	56 Å²	56	146.9 Å²	146.9	39%	0.392	75%	0.747	S	S	.	*	G	3₁₀ helix	trans	-62.8	-19.8	-177.3	57	0	0	0	0	113.7	I639 S640 P641 R645	I639-S643 WeakPolarHBondContact CG2-OG 3.22Å; S640-S643 PolarHBondContact O-N 3.36Å; S640-S643 VanDerWaalsContact O-N 3.15Å; S640-S643 PolarHBondContact O-OG 2.77Å; P641-S643 VanDerWaalsContact C-N 3.3Å; P641-S643 PolarHBondContact O-N 3.09Å; S643-R645 VanDerWaalsContact C-N 3.27Å; S643-R645 PolarHBondContact O-N 2.65Å
644	S	37	Very low	41	Very low	96 Å²	96	147.3 Å²	147.3	67%	0.671	74%	0.744	S	S	*	*	G	3₁₀ helix	trans	-69.2	-17.8	174.7	-52.1	0	0	0	0	114.3	D642	D642-S644 PolarHBondContact O-N 3.05Å; D642-S644 VanDerWaalsContact O-N 3.09Å
645	R	36.7	Very low	38.8	Very low	223 Å²	223	148 Å²	148	84%	0.842	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-91.3	-1.8	-176.6	-77.3	-174.6	165.4	-165.6	-5.2	115.1	D642 S643	D642-R645 PolarHBondContact O-N 2.99Å; S643-R645 VanDerWaalsContact C-N 3.27Å; S643-R645 PolarHBondContact O-N 2.65Å
646	Q	37.3	Very low	36.9	Very low	163 Å²	163	144.7 Å²	144.7	76%	0.762	74%	0.743	S	S	*	*	S	Bend	trans	-112.6	10.3	-174.1	-123	175.1	1.2	0	0	115.1
647	L	33.2	Very low	35.7	Very low	160 Å²	160	142 Å²	142	84%	0.838	74%	0.741	S	S	*	*	S	Bend	trans	-109.9	14.9	176	-77.3	166.4	0	0	0	113.7
648	Q	31.5	Very low	34.9	Very low	196 Å²	196	140.5 Å²	140.5	92%	0.916	74%	0.74	S	S	*	*			trans	-123.7	48	168.8	-71.6	-168.8	-8.7	0	0	111.9
649	S	34	Very low	34.3	Very low	95 Å²	95	141 Å²	141	66%	0.664	75%	0.748	S	S	*	*			trans	-124.1	104.8	157.6	57.9	0	0	0	0	108.5	D651	S649-D651 PolarHBondContact O-N 3.27Å
650	V	30.7	Very low	33.5	Very low	131 Å²	131	139.1 Å²	139.1	79%	0.794	75%	0.748	S	S	*	*			trans	-63.3	125.9	162.5	173.8	0	0	0	0	107
651	D	31.2	Very low	32.7	Very low	154 Å²	154	147.6 Å²	147.6	82%	0.824	77%	0.769	S	S	*	*			trans	-148.4	153.6	140.8	-137.4	-27.6	0	0	0	112.6	S649	S649-D651 PolarHBondContact O-N 3.27Å
652	K	30.6	Very low	31.8	Very low	185 Å²	185	150 Å²	150	80%	0.804	78%	0.775	S	S	*	*			trans	-110.4	105.3	-176.3	-64	172	-178.3	172.5	0	109.6
653	S	28.3	Very low	31.5	Very low	100 Å²	100	149.1 Å²	149.1	70%	0.699	78%	0.776	S	S	*	*			trans	-168.2	148.7	155	50.9	0	0	0	0	115.4
654	N	30.8	Very low	31	Very low	150 Å²	150	152.2 Å²	152.2	80%	0.802	80%	0.797	S	S	*	*			trans	74.4	110	150.8	-59.5	-15.4	0	0	0	120.3
655	L	27.6	Very low	30.6	Very low	157 Å²	157	152 Å²	152	82%	0.822	80%	0.802	S	S	*	*			trans	-72.5	172.1	148.3	-64.1	80.5	0	0	0	110.2
656	N	30.9	Very low	30.1	Very low	132 Å²	132	144.8 Å²	144.8	71%	0.706	80%	0.797	S	S	*	*			trans	68.9	144.4	172.8	-66.2	26.6	0	0	0	115.1
657	E	30.9	Very low	29.8	Very low	171 Å²	171	143.9 Å²	143.9	80%	0.799	80%	0.802	S	S	*	*			cis	-149.4	177.7	3.3	-138	159.7	-124.7	0	0	113.6
658	K	28.5	Very low	29.4	Very low	187 Å²	187	142.3 Å²	142.3	81%	0.813	80%	0.8	S	S	*	*			trans	-81	142	174.5	-62.9	169	-179.6	167.4	0	110.7
659	T	30	Very low	29.5	Very low	152 Å²	152	138 Å²	138	93%	0.933	79%	0.789	S	S	*	*				-174.4	174.6	118.2	23	0	0	0	0	112
660	S	26	Very low	29.2	Very low	102 Å²	102	139.5 Å²	139.5	71%	0.713	79%	0.794	S	S	*	*			trans	-106.4	154.1	-164.1	52.4	0	0	0	0	114.6
661	R	28.1	Very low	29	Very low	247 Å²	247	144 Å²	144	93%	0.932	80%	0.798	S	S	*	*			trans	-177.7	155.8	130.2	-97.7	160.3	-157.6	-117.5	6.7	113.1
662	L	24.1	Very low	29	Very low	168 Å²	168	140 Å²	140	88%	0.88	78%	0.783	S	S	*	*			trans	-162.3	167.5	175.3	-95.7	176.3	0	0	0	106.6
663	P	37	Very low	28.9	Very low	107 Å²	107	139.7 Å²	139.7	70%	0.695	78%	0.781	S	S	*	*			cis	-132.6	-171.5	-11.5	39.8	-22.7	0	0	0	114.3
664	S	26.8	Very low	29	Very low	120 Å²	120	146.1 Å²	146.1	84%	0.839	79%	0.79	S	S	*	*			trans	75.3	147.8	157.3	-109.2	0	0	0	0	118.8
665	A	28.4	Very low	28.8	Very low	93 Å²	93	145.9 Å²	145.9	77%	0.769	79%	0.787	S	S	*	*			cis	-153.6	156.7	1.8	0	0	0	0	0	113.7
666	G	25.9	Very low	29	Very low	71 Å²	71	143.8 Å²	143.8	73%	0.732	79%	0.786	S	S	*	*			trans	94.1	111	140.6	0	0	0	0	0	120.7
667	T	30.7	Very low	28.7	Very low	143 Å²	143	141.9 Å²	141.9	88%	0.877	79%	0.789	S	S	*	*				173.6	134.2	116	-69.5	0	0	0	0	112.1
668	T	25.5	Very low	28.7	Very low	128 Å²	128	142 Å²	142	79%	0.785	80%	0.795	S	S	*	*			trans	-146.7	168.9	166.5	52.4	0	0	0	0	106.4
669	P	33.9	Very low	28.5	Very low	106 Å²	106	138 Å²	138	69%	0.688	80%	0.796	S	S	*	*			cis	-155.2	-175.6	31.3	41.2	-16.6	0	0	0	120.3
670	T	27.3	Very low	28.4	Very low	126 Å²	126	135 Å²	135	77%	0.773	79%	0.787	S	S	*	*			trans	68.9	122.7	147	41.8	0	0	0	0	124.3
671	Y	26.8	Very low	28.3	Very low	225 Å²	225	136.1 Å²	136.1	88%	0.882	79%	0.789	S	S	*	*				-133.4	177.3	116.9	-164.6	-103.4	0	0	0	109.8
672	S	29.9	Very low	28.2	Very low	70 Å²	70	133.2 Å²	133.2	49%	0.49	78%	0.784	S	S	.	*			trans	-151.6	169.8	-153.5	74.6	0	0	0	0	119.3
673	K	30	Very low	28.3	Very low	178 Å²	178	135.9 Å²	135.9	77%	0.774	78%	0.784	S	S	*	*			trans	83.4	106.9	150.1	-80.9	178.6	173.3	175.3	0	122.2
674	R	29.5	Very low	27.8	Very low	235 Å²	235	139.2 Å²	139.2	89%	0.887	79%	0.79	S	S	*	*				-178.7	139.7	106.9	-94.9	-179.1	-171.1	-141.5	4.2	107.4
675	I	27.8	Very low	27.8	Very low	146 Å²	146	139.6 Å²	139.6	75%	0.749	79%	0.788	S	S	*	*			cis	70	121.7	38.9	-55.2	175.2	0	0	0	111.3
676	S	30.1	Very low	27.7	Very low	113 Å²	113	140.5 Å²	140.5	79%	0.79	79%	0.785	S	S	*	*			cis	-134.1	173.5	17.2	53.6	0	0	0	0	114
677	A	24.6	Very low	27.9	Very low	92 Å²	92	142.8 Å²	142.8	76%	0.76	79%	0.787	S	S	*	*			trans	-86.1	166.7	173.9	0	0	0	0	0	113.1
678	N	31.1	Very low	27.7	Very low	174 Å²	174	144.1 Å²	144.1	93%	0.93	79%	0.788	S	S	*	*			trans	-150	151.6	136.9	-116.7	-11.5	0	0	0	109.4
679	A	24.3	Very low	27.7	Very low	101 Å²	101	146.9 Å²	146.9	84%	0.835	79%	0.792	S	S	*	*			trans	-113.2	142.8	-175.4	0	0	0	0	0	111.6
680	A	27.7	Very low	27.2	Very low	91 Å²	91	152.6 Å²	152.6	75%	0.752	80%	0.8	S	S	*	*			trans	-137.9	138.8	164.3	0	0	0	0	0	108.3
681	V	24.2	Very low	27.2	Very low	125 Å²	125	151.9 Å²	151.9	76%	0.758	80%	0.798	S	S	*	*			trans	-90.1	121.8	-172.2	176.6	0	0	0	0	110.1	Y683	V681-Y683 HydrophobicContact CG1-CD2 4.15Å; V681-Y683 HydrophobicContact CG1-CE2 4.17Å
682	F	27.6	Very low	27	Very low	185 Å²	185	148.5 Å²	148.5	81%	0.811	80%	0.795	S	S	*	*			trans	-103.1	118.5	161.6	-91	-84.2	0	0	0	109.9	Q684	F682-Q684 PolarHBondContact O-N 2.68Å; F682-Q684 VanDerWaalsContact O-N 3.13Å
683	Y	24.5	Very low	26.8	Very low	224 Å²	224	153.7 Å²	153.7	88%	0.878	81%	0.809	S	S	*	*			trans	-72.9	95.9	162.7	-81.4	-92.2	0	0	0	108.6	V681	V681-Y683 HydrophobicContact CG1-CD2 4.15Å; V681-Y683 HydrophobicContact CG1-CE2 4.17Å
684	Q	28	Very low	26.7	Very low	178 Å²	178	151.1 Å²	151.1	83%	0.832	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-87.4	116.8	161.8	-77.5	-169.9	-26.5	0	0	109.3	F682	F682-Q684 PolarHBondContact O-N 2.68Å; F682-Q684 VanDerWaalsContact O-N 3.13Å
685	T	25.7	Very low	26.6	Very low	128 Å²	128	152.1 Å²	152.1	79%	0.785	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-59.1	138.4	163.9	39.3	0	0	0	0	109.6
686	P	26.7	Very low	26.4	Very low	111 Å²	111	148 Å²	148	72%	0.721	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-71.1	134.2	179.2	29	-33.6	0	0	0	110.1	L688	P686-L688 PolarHBondContact O-N 2.94Å
687	P	29.2	Very low	26.3	Very low	119 Å²	119	148.5 Å²	148.5	77%	0.773	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-65.6	133.1	167.5	28.5	-33.1	0	0	0	109.1	Q689	P687-Q689 PolarHBondContact O-N 2.86Å
688	L	26.7	Very low	26.4	Very low	172 Å²	172	150.6 Å²	150.6	90%	0.901	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-61.4	129.7	178.4	-71.9	168.9	0	0	0	110.4	P686 R690	P686-L688 PolarHBondContact O-N 2.94Å; L688-R690 PolarHBondContact O-N 3.42Å
689	Q	25.7	Very low	26.2	Very low	186 Å²	186	147.1 Å²	147.1	87%	0.869	78%	0.779	S	S	*	*			trans	-68.1	115.3	173.9	-65.5	178.2	-71.6	0	0	109.4	P687 P691	P687-Q689 PolarHBondContact O-N 2.86Å; Q689-P691 WeakPolarHBondContact O-CD 3.21Å
690	R	24.2	Very low	26.3	Very low	225 Å²	225	149.7 Å²	149.7	85%	0.849	78%	0.778	S	S	*	*			trans	-68.4	129.9	160.8	-72	-172	177.2	-163.2	-0.3	108.8	L688	L688-R690 PolarHBondContact O-N 3.42Å
691	P	26.8	Very low	26.3	Very low	112 Å²	112	152.4 Å²	152.4	73%	0.727	78%	0.779	S	S	*	*			trans	-84	115.9	162.3	31.7	-28.3	0	0	0	109.1	Q689 F693	Q689-P691 WeakPolarHBondContact O-CD 3.21Å; P691-F693 PolarHBondContact O-N 2.87Å
692	D	23.5	Very low	26.3	Very low	153 Å²	153	150.9 Å²	150.9	82%	0.818	77%	0.773	S	S	*	*			trans	-71.8	98.4	176	-69.2	-42.8	0	0	0	111
693	F	24.4	Very low	26.3	Very low	180 Å²	180	150.1 Å²	150.1	79%	0.789	77%	0.766	S	S	*	*			trans	-148	151.6	168.5	-98	-84.4	0	0	0	110.1	P691	P691-F693 PolarHBondContact O-N 2.87Å
694	T	27.8	Very low	26.3	Very low	123 Å²	123	147.4 Å²	147.4	76%	0.755	76%	0.762	S	S	*	*			trans	65.3	140	-164.6	86	0	0	0	0	113
695	R	27.2	Very low	26.2	Very low	256 Å²	256	147.7 Å²	147.7	97%	0.966	77%	0.765	S	S	*	*			cis	63.6	77.1	-4.6	-142.7	-177.8	-159.8	-150.2	3.6	116.3
696	G	24.8	Very low	26.3	Very low	59 Å²	59	145 Å²	145	61%	0.608	75%	0.749	S	S	*	*			trans	144.2	135.4	168.5	0	0	0	0	0	112.1
697	L	28.3	Very low	26.4	Very low	125 Å²	125	146.3 Å²	146.3	65%	0.654	75%	0.749	S	S	*	*			trans	61.5	74.9	170.5	-59.8	169.3	0	0	0	117.1	D316 D699	D316-L697 HydrophobicContact CB-CD1 4.19Å; D316-L697 HydrophobicContact CB-CD2 4.07Å; L697-D699 VanDerWaalsContact C-N 3.3Å; L697-D699 PolarHBondContact O-N 3.06Å
698	N	26	Very low	26.4	Very low	136 Å²	136	148.9 Å²	148.9	73%	0.727	74%	0.744	S	S	*	*			trans	-77.1	83.7	149.4	-85.5	11.5	0	0	0	108.6
699	D	27.1	Very low	26.4	Very low	101 Å²	101	147.5 Å²	147.5	54%	0.54	74%	0.737	S	S	.	*			trans	-156.4	44.4	171.2	-157.1	45.9	0	0	0	112.8	K577 L697	K577-D699 IonicContact NZ-OD2 3.12Å; K577-D699 PolarHBondContact NZ-OD2 2.95Å; L697-D699 VanDerWaalsContact C-N 3.3Å; L697-D699 PolarHBondContact O-N 3.06Å
700	N	25.6	Very low	26.5	Very low	155 Å²	155	142.1 Å²	142.1	83%	0.829	72%	0.72	S	S	*	*			trans	179.4	89.2	161.8	-95.9	-15.9	0	0	0	109.7
701	I	27.6	Very low	26.6	Very low	148 Å²	148	139.7 Å²	139.7	76%	0.759	72%	0.718	S	S	*	*			trans	-111.2	108.7	155	-66.1	178.4	0	0	0	105.8
702	S	25.7	Very low	26.6	Very low	92 Å²	92	144.4 Å²	144.4	64%	0.643	72%	0.722	S	S	*	*			trans	-69.7	128.8	167.7	42.1	0	0	0	0	109.1	E704	S702-E704 PolarHBondContact O-N 2.78Å; S702-E704 VanDerWaalsContact O-N 3.08Å
703	Y	26.2	Very low	26.8	Very low	170 Å²	170	146 Å²	146	67%	0.667	72%	0.718	S	S	*	*			trans	-69	103.1	170.3	-78	-100.7	0	0	0	108.8
704	E	25.4	Very low	26.8	Very low	167 Å²	167	144 Å²	144	78%	0.78	72%	0.716	S	S	*	*			trans	-136	20	-178	-151.2	167	-131.4	0	0	111.9	S702	S702-E704 PolarHBondContact O-N 2.78Å; S702-E704 VanDerWaalsContact O-N 3.08Å
705	M	25.5	Very low	26.6	Very low	183 Å²	183	146.1 Å²	146.1	90%	0.901	72%	0.723	S	S	*	*	S	Bend	trans	-141.5	19.8	-175.9	-143.2	172.6	-163.7	0	0	115.3
706	T	27.5	Very low	26.4	Very low	73 Å²	73	139 Å²	139	45%	0.448	71%	0.712	S	S	.	*	S	Bend	trans	-124.5	-14.8	171.5	39.9	0	0	0	0	113.8	R708	T706-R708 PolarHBondContact O-N 3.22Å
707	D	29.8	Very low	26.5	Very low	137 Å²	137	142.5 Å²	142.5	73%	0.733	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	32.6	-177.1	-142.3	22.4	0	0	0	113.2
708	R	28.2	Very low	26.3	Very low	174 Å²	174	144.8 Å²	144.8	66%	0.657	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.7	3.4	-170.8	-92.7	-171.9	159.8	137.7	5.5	116.1	T706 E1056	T706-R708 PolarHBondContact O-N 3.22Å; R708-E1056 IonicContact CZ-OE2 3.96Å; R708-E1056 IonicContact NH1-OE2 3.4Å; R708-E1056 IonicContact NH2-OE1 2.67Å; R708-E1056 PolarHBondContact NH2-OE1 2.92Å; R708-E1056 IonicContact NH2-OE2 2.74Å; R708-E1056 PolarHBondContact NH2-OE2 3.12Å
709	L	27.7	Very low	26.2	Very low	143 Å²	143	149 Å²	149	75%	0.749	74%	0.736	S	S	*	*	S	Bend	trans	-118	-2.4	173.1	-68.3	172.7	0	0	0	112.8
710	S	27.2	Very low	26.1	Very low	73 Å²	73	150.2 Å²	150.2	51%	0.51	75%	0.752	S	S	.	*	S	Bend	trans	-89.5	-32.8	179.8	41.6	0	0	0	0	114	Y712	S710-Y712 PolarHBondContact O-N 3.21Å
711	E	26.3	Very low	26.1	Very low	174 Å²	174	147.6 Å²	147.6	81%	0.813	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-6.4	-177.6	-68.7	-161.3	131.9	0	0	114.7
712	Y	26.8	Very low	26.1	Very low	210 Å²	210	147.7 Å²	147.7	82%	0.824	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-3.3	-175.6	-116.2	-93.4	0	0	0	115.3	S710	S710-Y712 PolarHBondContact O-N 3.21Å
713	Y	27.7	Very low	26.2	Very low	187 Å²	187	152 Å²	152	73%	0.733	77%	0.768	S	S	*	*	S	Bend	trans	-130.2	24.2	-176.5	-94.5	-75.3	0	0	0	115.1
714	D	24.5	Very low	26.3	Very low	138 Å²	138	147.5 Å²	147.5	74%	0.738	77%	0.773	S	S	*	*	S	Bend	trans	-139.9	64.1	172.4	-156.5	3.9	0	0	0	113.3
715	N	23.7	Very low	26.4	Very low	168 Å²	168	151.8 Å²	151.8	90%	0.898	78%	0.782	S	S	*	*			trans	-160	63.6	167.5	-110.6	-69	0	0	0	113.3
716	S	23.7	Very low	26.4	Very low	107 Å²	107	148.2 Å²	148.2	75%	0.748	78%	0.775	S	S	*	*			trans	-145.2	145.2	161.3	80.3	0	0	0	0	112.4
717	T	25.8	Very low	26.5	Very low	131 Å²	131	152.8 Å²	152.8	80%	0.804	80%	0.796	S	S	*	*	S	Bend	trans	70	75.5	171.7	-34.9	0	0	0	0	117.2
718	E	23.5	Very low	26.5	Very low	174 Å²	174	150.8 Å²	150.8	81%	0.813	79%	0.794	S	S	*	*				-166.1	92.2	108.3	-106.4	-167.7	-167.7	0	0	112.1
719	Y	25.1	Very low	26.5	Very low	224 Å²	224	150.9 Å²	150.9	88%	0.878	80%	0.804	S	S	*	*			trans	-130.1	79.2	161.6	-117.6	-81.2	0	0	0	109.3	S721	Y719-S721 PolarHBondContact O-N 2.85Å
720	C	24.8	Very low	26.6	Very low	127 Å²	127	148.7 Å²	148.7	86%	0.858	81%	0.806	S	S	*	*			trans	-60.9	105.8	172.6	-76.3	0	0	0	0	110.4
721	S	24.6	Very low	26.5	Very low	99 Å²	99	151 Å²	151	69%	0.692	82%	0.822	S	S	*	*			trans	-117.2	116.6	166.5	65.1	0	0	0	0	110	Y719	Y719-S721 PolarHBondContact O-N 2.85Å
722	T	27.5	Very low	26.4	Very low	151 Å²	151	149 Å²	149	93%	0.926	82%	0.822	S	S	*	*			trans	-174.4	112.9	149.2	13.4	0	0	0	0	109
723	L	27.9	Very low	26.4	Very low	183 Å²	183	144.8 Å²	144.8	96%	0.958	82%	0.818	S	S	*	*			trans	-121.7	127.8	165.5	-115.2	175.2	0	0	0	107.9
724	G	28.2	Very low	26.5	Very low	74 Å²	74	142.8 Å²	142.8	76%	0.763	82%	0.82	S	S	*	*			trans	96.8	75.5	161.6	0	0	0	0	0	117.2
725	R	27.6	Very low	26.6	Very low	257 Å²	257	144.7 Å²	144.7	97%	0.97	82%	0.824	S	S	*	*				-135.8	116.3	126.8	-132	174.7	-173.9	166.3	2.3	110.5
726	S	26.3	Very low	26.9	Very low	109 Å²	109	141.5 Å²	141.5	76%	0.762	82%	0.815	S	S	*	*			trans	-91.7	142	177.6	53	0	0	0	0	110
727	D	29.6	Very low	27.2	Very low	168 Å²	168	141.3 Å²	141.3	90%	0.898	81%	0.813	S	S	*	*			trans	-141.1	147.7	144.8	-123.3	-37.3	0	0	0	113.4
728	S	29.7	Very low	27.5	Very low	96 Å²	96	143.6 Å²	143.6	67%	0.671	82%	0.82	S	S	*	*			trans	-72.1	139.3	-162.7	135.8	0	0	0	0	114.6
729	M	29.2	Very low	27.8	Very low	176 Å²	176	138.9 Å²	138.9	87%	0.867	82%	0.817	S	S	*	*			trans	-151.7	156	143.6	-108.4	-64.9	120.7	0	0	111.6
730	A	28.1	Very low	28.1	Very low	97 Å²	97	138.6 Å²	138.6	80%	0.802	82%	0.815	S	S	*	*			trans	63.2	91.4	176.6	0	0	0	0	0	118.1
731	S	26.8	Very low	28.3	Very low	122 Å²	122	142.7 Å²	142.7	85%	0.853	81%	0.812	S	S	*	*			trans	-83.8	161.2	161.1	-74.9	0	0	0	0	113
732	T	23.8	Very low	28.6	Very low	130 Å²	130	144.9 Å²	144.9	80%	0.798	82%	0.816	S	S	*	*			trans	-39.9	147.9	168.1	-22.7	0	0	0	0	115.1
733	T	26.6	Very low	28.6	Very low	122 Å²	122	147.4 Å²	147.4	75%	0.748	81%	0.814	S	S	*	*				170.3	159.8	110.7	-58.7	0	0	0	0	111.9
734	L	28.9	Very low	28.6	Very low	146 Å²	146	146.6 Å²	146.6	76%	0.764	81%	0.81	S	S	*	*			trans	97.6	96	162.2	-59	179	0	0	0	120.6
735	H	27.3	Very low	28.9	Very low	178 Å²	178	152 Å²	152	82%	0.824	82%	0.815	S	S	*	*				63.1	143.8	114.7	-95.5	-151.9	0	0	0	124.4
736	S	30	Very low	29.4	Very low	101 Å²	101	144.7 Å²	144.7	71%	0.706	80%	0.801	S	S	*	*			trans	91.2	87.4	146.5	69.2	0	0	0	0	122.4
737	S	29.7	Very low	29.4	Very low	103 Å²	103	150.9 Å²	150.9	72%	0.72	81%	0.807	S	S	*	*				87.3	141.9	121.9	80.3	0	0	0	0	121.7
738	L	32.1	Very low	29.4	Very low	179 Å²	179	146.9 Å²	146.9	94%	0.937	79%	0.793	S	S	*	*			trans	62.9	135.8	166.4	-52.9	167.6	0	0	0	115.7
739	G	29.1	Very low	29.5	Very low	74 Å²	74	151.5 Å²	151.5	76%	0.763	80%	0.801	S	S	*	*			cis	163.8	146.5	-3.2	0	0	0	0	0	106.7
740	R	31.6	Very low	29.5	Very low	219 Å²	219	148.2 Å²	148.2	83%	0.826	80%	0.795	S	S	*	*			cis	-156	161.8	24.3	-65	166	157.6	179.2	-4.7	109.8
741	R	29.8	Very low	29.5	Very low	213 Å²	213	154.5 Å²	154.5	80%	0.804	80%	0.798	S	S	*	*			trans	57.7	140.5	145.7	-76.9	177.5	-178	165.9	-0.5	118.9
742	N	29.8	Very low	29.6	Very low	145 Å²	145	157.4 Å²	157.4	78%	0.775	80%	0.798	S	S	*	*			cis	-131.3	153.1	10.8	-85.6	-36.9	0	0	0	112.4
743	K	27.4	Very low	29.7	Very low	204 Å²	204	157 Å²	157	89%	0.887	80%	0.795	S	S	*	*			trans	-139.7	141.4	157.3	-81.1	-172.2	176.9	-178.5	0	107.8
744	L	28.3	Very low	30	Very low	166 Å²	166	157.6 Å²	157.6	87%	0.869	79%	0.793	S	S	*	*			trans	-153.1	127.6	155.3	-109.6	176.2	0	0	0	111.2
745	H	34.3	Very low	30	Very low	187 Å²	187	162 Å²	162	87%	0.866	80%	0.799	S	S	*	*			trans	-163.8	129.7	176	-138.2	49.1	0	0	0	106.6
746	P	37.8	Very low	29.9	Very low	104 Å²	104	158.8 Å²	158.8	68%	0.675	79%	0.792	S	S	*	*			trans	-153	140.4	141.3	35.1	-17.1	0	0	0	116.6
747	R	27.6	Very low	30	Very low	239 Å²	239	162.1 Å²	162.1	90%	0.902	80%	0.8	S	S	*	*			trans	58	151.1	133.6	-71.2	-175.6	163.3	170.4	-5.2	120.5
748	S	30.3	Very low	29.9	Very low	84 Å²	84	162.7 Å²	162.7	59%	0.587	80%	0.799	S	S	*	*			cis	-179	171	-11.6	55.4	0	0	0	0	111.3
749	K	31.3	Very low	30	Very low	193 Å²	193	162.5 Å²	162.5	84%	0.839	79%	0.794	S	S	*	*			trans	71.1	161.6	158.3	-66.8	175.1	-179.9	-176.1	0	117.2
750	S	29	Very low	29.8	Very low	106 Å²	106	168.6 Å²	168.6	74%	0.741	79%	0.794	S	S	*	*			cis	-168.3	141.5	-36.2	53.7	0	0	0	0	111.6
751	R	27	Very low	29.8	Very low	229 Å²	229	164.9 Å²	164.9	86%	0.864	79%	0.79	S	S	*	*			trans	-22.3	129.9	167	-169.4	-168.1	-152.6	168.8	5.6	118.5
752	E	29.4	Very low	29.9	Very low	183 Å²	183	158 Å²	158	86%	0.855	79%	0.785	S	S	*	*				-177	-174.1	124.6	-103	177.8	-166.6	0	0	113.9
753	T	27.3	Very low	30.1	Very low	121 Å²	121	159.2 Å²	159.2	74%	0.742	79%	0.79	S	S	*	*			trans	-147.8	165.3	-139.2	-34.2	0	0	0	0	116.3
754	I	31.2	Very low	30.3	Very low	136 Å²	136	155.8 Å²	155.8	70%	0.697	79%	0.787	S	S	*	*			trans	81.4	115.4	159.1	-30.2	178.4	0	0	0	119.9
755	R	29.6	Very low	31	Very low	239 Å²	239	153 Å²	153	90%	0.902	78%	0.779	S	S	*	*				167.7	136.5	118.3	-87.4	168.1	-169.3	-171.8	2.9	109.7
756	T	26.4	Very low	31.1	Very low	109 Å²	109	149.8 Å²	149.8	67%	0.669	78%	0.777	S	S	*	*			cis	122.1	125.8	13.6	-73.8	0	0	0	0	108.8
757	I	31.1	Very low	30.9	Very low	171 Å²	171	147.9 Å²	147.9	88%	0.877	78%	0.776	S	S	*	*			trans	-162.3	159.4	152.9	-104.6	155.9	0	0	0	109
758	T	28.4	Very low	31.3	Very low	115 Å²	115	142.5 Å²	142.5	71%	0.706	77%	0.77	S	S	*	*			trans	-144.4	161.5	-164.6	52.7	0	0	0	0	113.1
759	Q	33	Very low	31.6	Very low	176 Å²	176	144.9 Å²	144.9	82%	0.822	78%	0.775	S	S	*	*			trans	137.3	152.9	162.6	-82.1	174.4	38.9	0	0	112.1
760	R	25.7	Very low	31.7	Very low	202 Å²	202	142.1 Å²	142.1	76%	0.762	77%	0.766	S	S	*	*			cis	-169	168.1	-29.7	-142.4	-174.2	-178	145.8	2.4	110.9
761	D	31.2	Very low	31.9	Very low	141 Å²	141	147.2 Å²	147.2	75%	0.754	77%	0.769	S	S	*	*			trans	77.7	151.3	154.5	-54.4	-34.3	0	0	0	122.8
762	G	31.4	Very low	32	Very low	68 Å²	68	140.1 Å²	140.1	70%	0.701	77%	0.766	S	S	*	*			trans	96.9	101.2	-176.3	0	0	0	0	0	113.9
763	I	34.8	Very low	32.1	Very low	170 Å²	170	135.1 Å²	135.1	87%	0.872	76%	0.764	S	S	*	*			cis	93.1	123.9	37.9	-56.7	176	0	0	0	114
764	T	31	Very low	32.1	Very low	133 Å²	133	134.8 Å²	134.8	82%	0.816	77%	0.767	S	S	*	*			trans	-92.7	-160.9	-175.3	8.9	0	0	0	0	112.2
765	P	44.2	Very low	32.2	Very low	108 Å²	108	135.9 Å²	135.9	70%	0.701	77%	0.772	S	S	*	*			cis	-139.5	176.9	1.8	40.3	-21	0	0	0	117.8
766	S	35.3	Very low	32.1	Very low	118 Å²	118	133 Å²	133	83%	0.825	77%	0.769	S	S	*	*				156.1	142.4	121.2	-69.2	0	0	0	0	116.5
767	G	33.8	Very low	32.4	Very low	64 Å²	64	133.8 Å²	133.8	66%	0.66	78%	0.779	S	S	*	*			trans	86.6	100.8	169.7	0	0	0	0	0	114.9
768	T	36.4	Very low	32.2	Very low	126 Å²	126	131.4 Å²	131.4	77%	0.773	77%	0.773	S	S	*	*			cis	68.4	125.8	25.3	6.7	0	0	0	0	113.8
769	L	35.2	Very low	32.4	Very low	134 Å²	134	137.2 Å²	137.2	70%	0.702	78%	0.783	S	S	*	*			cis	-145.5	142.9	23.8	-84	162	0	0	0	111.8
770	Q	35.2	Very low	32.4	Very low	136 Å²	136	132.2 Å²	132.2	64%	0.636	77%	0.772	S	S	*	*				56.5	149.5	97.5	-61.7	-178.4	10.4	0	0	117.6
771	R	31.6	Very low	32.7	Very low	213 Å²	213	129.9 Å²	129.9	80%	0.804	78%	0.78	S	S	*	*			cis	-152.7	157.5	0.8	-125.2	178.4	-102.4	-147.4	-0.3	106.8
772	G	30.1	Very low	32.7	Very low	79 Å²	79	126.7 Å²	126.7	81%	0.814	78%	0.781	S	S	*	*			cis	101	137	49	0	0	0	0	0	110.3
773	G	30.9	Very low	32.8	Very low	78 Å²	78	131.1 Å²	131.1	80%	0.804	79%	0.788	S	S	*	*			cis	179	-174	-3	0	0	0	0	0	112.9
774	S	27.3	Very low	32.5	Very low	115 Å²	115	133.9 Å²	133.9	80%	0.804	79%	0.787	S	S	*	*			trans	-10.7	164.3	160.4	-137.8	0	0	0	0	120.2
775	I	33.7	Very low	32.4	Very low	159 Å²	159	132.3 Å²	132.3	82%	0.815	78%	0.782	S	S	*	*			cis	-154.3	161	34	-40.6	160.5	0	0	0	111.5
776	E	27.9	Very low	31.9	Very low	178 Å²	178	132.2 Å²	132.2	83%	0.832	78%	0.783	S	S	*	*			trans	-78.7	159.8	170.1	-55	172.3	110.6	0	0	114.8
777	S	32.3	Very low	31.6	Very low	126 Å²	126	131.7 Å²	131.7	88%	0.881	78%	0.78	S	S	*	*				174.6	165.7	124.2	42.9	0	0	0	0	112.9
778	T	27	Very low	31.6	Very low	121 Å²	121	135.2 Å²	135.2	74%	0.742	79%	0.789	S	S	*	*			trans	-120.5	143.8	-157.8	-55.6	0	0	0	0	113.7
779	Y	32.9	Very low	31.4	Very low	237 Å²	237	140.6 Å²	140.6	93%	0.929	80%	0.795	S	S	*	*			trans	-169	172.5	143.7	-86.8	-54	0	0	0	110.8
780	A	33.6	Very low	31.6	Very low	71 Å²	71	139.4 Å²	139.4	59%	0.587	80%	0.795	S	S	*	*				-156.3	147.6	-87.6	0	0	0	0	0	112.3
781	T	32	Very low	31.4	Very low	152 Å²	152	140.3 Å²	140.3	93%	0.933	80%	0.803	S	S	*	*			trans	59.7	128.7	168.3	59.3	0	0	0	0	118.2
782	G	30.8	Very low	31.3	Very low	75 Å²	75	135 Å²	135	77%	0.773	80%	0.798	S	S	*	*			cis	-156.4	-141	5.6	0	0	0	0	0	112.5
783	L	32.9	Very low	31.4	Very low	160 Å²	160	140.9 Å²	140.9	84%	0.838	80%	0.796	S	S	*	*			cis	-153.8	-87.5	2.2	-141.6	-178.9	0	0	0	115.8
784	R	29.4	Very low	31.5	Very low	228 Å²	228	147.3 Å²	147.3	86%	0.86	80%	0.796	S	S	*	*			trans	-156	156.3	-171.6	-80.4	-178.7	-177	-152.3	0.9	110.2
785	S	28.9	Very low	31.8	Very low	101 Å²	101	147.4 Å²	147.4	71%	0.706	79%	0.792	S	S	*	*			cis	-165.5	166.9	-3.9	45.5	0	0	0	0	113.5
786	S	31.8	Very low	31.7	Very low	105 Å²	105	147.8 Å²	147.8	73%	0.734	80%	0.795	S	S	*	*			trans	64.2	104.9	146.5	58.4	0	0	0	0	123.3
787	S	29.8	Very low	31.8	Very low	108 Å²	108	142.1 Å²	142.1	76%	0.755	78%	0.784	S	S	*	*			trans	48.5	111.4	130.6	-163.6	0	0	0	0	122.4
788	T	33	Very low	31.9	Very low	138 Å²	138	141.8 Å²	141.8	85%	0.847	78%	0.781	S	S	*	*				-173.6	164.4	109.8	20.7	0	0	0	0	112.8
789	R	33.7	Very low	32.3	Very low	239 Å²	239	141.4 Å²	141.4	90%	0.902	78%	0.784	S	S	*	*			trans	-111.5	164	165.4	-82.9	-174.2	174.2	-162.5	-0.4	107.4
790	P	39.4	Very low	32.3	Very low	108 Å²	108	138.3 Å²	138.3	70%	0.701	78%	0.78	S	S	*	*			cis	-157.7	-179.9	39.4	45.2	-23.2	0	0	0	120.8
791	I	31.5	Very low	32.1	Very low	155 Å²	155	141.8 Å²	141.8	80%	0.795	79%	0.788	S	S	*	*			trans	75.9	119.7	144.4	-77.4	157.5	0	0	0	122.6
792	S	29.2	Very low	32.1	Very low	102 Å²	102	143 Å²	143	71%	0.713	78%	0.78	S	S	*	*			trans	67.3	152.4	149.4	-78.1	0	0	0	0	120.7
793	R	32.4	Very low	32.2	Very low	202 Å²	202	145.9 Å²	145.9	76%	0.762	78%	0.778	S	S	*	*			cis	-160.2	155.5	8	-130.8	178.3	-160.9	178.5	6.1	112
794	R	32	Very low	32.1	Very low	213 Å²	213	142.7 Å²	142.7	80%	0.804	77%	0.77	S	S	*	*			trans	67.6	155.8	157.9	-70.3	-175.9	172.7	176.6	-4.2	116.2
795	T	32.8	Very low	32.2	Very low	117 Å²	117	138.6 Å²	138.6	72%	0.718	77%	0.77	S	S	*	*			cis	-169.6	163.6	-1.8	20.5	0	0	0	0	107.5
796	L	32.1	Very low	32.4	Very low	168 Å²	168	139.2 Å²	139.2	88%	0.88	77%	0.769	S	S	*	*			cis	-160.5	174.8	-1.4	-134	168.7	0	0	0	109
797	G	31.1	Very low	32.6	Very low	58 Å²	58	139.2 Å²	139.2	60%	0.598	77%	0.769	S	S	*	*			trans	136.7	96.6	167.8	0	0	0	0	0	112.5
798	S	34.2	Very low	32.8	Very low	119 Å²	119	141.9 Å²	141.9	83%	0.832	77%	0.77	S	S	*	*				71.8	129.5	89.5	-62.6	0	0	0	0	113.2
799	S	33.8	Very low	32.8	Very low	113 Å²	113	140.3 Å²	140.3	79%	0.79	76%	0.764	S	S	*	*			cis	-161.2	174.3	-1.5	-146.3	0	0	0	0	107.5
800	M	34.6	Very low	33.3	Very low	173 Å²	173	133.9 Å²	133.9	85%	0.852	75%	0.753	S	S	*	*			cis	-135.4	-156.5	13.2	-52.9	-178.9	-169.5	0	0	111.2
801	L	29.2	Very low	32.8	Very low	144 Å²	144	135.8 Å²	135.8	75%	0.754	76%	0.757	S	S	*	*			trans	-152.1	177.2	-176.6	-81.8	173.5	0	0	0	112.3
802	F	32.5	Very low	32.8	Very low	176 Å²	176	134.5 Å²	134.5	77%	0.772	75%	0.751	S	S	*	*			trans	85.6	150.2	160.4	-57	-67.8	0	0	0	117.7
803	N	32.7	Very low	32.8	Very low	136 Å²	136	134.9 Å²	134.9	73%	0.727	75%	0.749	S	S	*	*			cis	-139.2	150.8	14.3	-144.9	8.6	0	0	0	115.2
804	S	30.1	Very low	32.9	Very low	94 Å²	94	131.1 Å²	131.1	66%	0.657	74%	0.744	S	S	*	*			trans	-130.8	158.4	161.5	60	0	0	0	0	108.6
805	V	31.9	Very low	32.8	Very low	142 Å²	142	130.9 Å²	130.9	86%	0.861	74%	0.743	S	S	*	*			trans	-112.7	143.5	175.5	176.4	0	0	0	0	109.4
806	T	32.7	Very low	32.7	Very low	114 Å²	114	131.4 Å²	131.4	70%	0.699	75%	0.746	S	S	*	*			trans	-157.4	138.7	-165.4	-63.1	0	0	0	0	111.3
807	S	35.5	Very low	32.5	Very low	104 Å²	104	127.7 Å²	127.7	73%	0.727	73%	0.734	S	S	*	*			trans	-168	148.7	161.3	52.3	0	0	0	0	110.9
808	Q	34.7	Very low	32.5	Very low	165 Å²	165	131.9 Å²	131.9	77%	0.771	74%	0.743	S	S	*	*			cis	-167.9	128.1	-22.7	-112.1	159.2	58.1	0	0	104.7
809	S	32	Very low	32.4	Very low	104 Å²	104	133 Å²	133	73%	0.727	74%	0.739	S	S	*	*				78.8	163.3	85	-56.6	0	0	0	0	114.6
810	P	43.9	Very low	32.3	Very low	104 Å²	104	135.8 Å²	135.8	68%	0.675	74%	0.742	S	S	*	*			cis	-148.7	-171	-46.1	42.1	-24.4	0	0	0	116.1
811	L	29.6	Very low	32.2	Very low	148 Å²	148	135.1 Å²	135.1	78%	0.775	74%	0.742	S	S	*	*			trans	79.2	155	155.5	-62.3	173	0	0	0	119.2
812	L	31.3	Very low	32.4	Very low	128 Å²	128	133.7 Å²	133.7	67%	0.67	74%	0.743	S	S	*	*			cis	-159.1	134.9	2	-117.5	158.5	0	0	0	112.8
813	T	30.7	Very low	32.4	Very low	110 Å²	110	134.4 Å²	134.4	68%	0.675	75%	0.749	S	S	*	*			trans	37.8	158.5	145.1	55.3	0	0	0	0	124.1
814	N	33.1	Very low	32.6	Very low	124 Å²	124	133.7 Å²	133.7	66%	0.663	75%	0.752	S	S	*	*			cis	-166.6	152.2	24.5	-133.8	-13.5	0	0	0	115.9
815	R	30.7	Very low	32.7	Very low	208 Å²	208	133.9 Å²	133.9	79%	0.785	76%	0.759	S	S	*	*			trans	60.1	120.8	142.1	-83.9	176.5	-177.2	-153.9	-0.4	126.3
816	T	29.9	Very low	32.9	Very low	127 Å²	127	135.3 Å²	135.3	78%	0.779	76%	0.761	S	S	*	*			trans	60.4	145	132.6	55.3	0	0	0	0	122.3
817	S	29	Very low	32.9	Very low	90 Å²	90	137.5 Å²	137.5	63%	0.629	77%	0.768	S	S	*	*			cis	-173.7	152.8	-5.2	47.3	0	0	0	0	113.1
818	N	29.6	Very low	33	Very low	146 Å²	146	138.2 Å²	138.2	78%	0.781	77%	0.77	S	S	*	*			trans	69.1	148.5	171.3	-49.5	-18.5	0	0	0	114.8
819	L	32.1	Very low	33.1	Very low	142 Å²	142	136.2 Å²	136.2	74%	0.743	77%	0.769	S	S	*	*			cis	-142.3	162.7	19.8	-86.6	89.8	0	0	0	113.3
820	M	33.3	Very low	33.3	Very low	173 Å²	173	137 Å²	137	85%	0.852	77%	0.772	S	S	*	*			trans	61.6	144.3	146.2	-73.5	178.5	174.6	0	0	123.6
821	N	32	Very low	32.7	Very low	159 Å²	159	141 Å²	141	85%	0.85	78%	0.782	S	S	*	*			trans	-31.3	146.1	167.8	-62.4	-11.6	0	0	0	115.2
822	S	33.7	Very low	32.9	Very low	113 Å²	113	142.5 Å²	142.5	79%	0.79	79%	0.785	S	S	*	*				-162.1	163.9	53.3	48.8	0	0	0	0	114.2
823	Q	31.3	Very low	33	Very low	191 Å²	191	142.3 Å²	142.3	89%	0.893	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-93.4	130.9	173.2	-65.5	176.2	-85.1	0	0	111.4
824	P	37.8	Very low	33.1	Very low	122 Å²	122	142.9 Å²	142.9	79%	0.792	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-72.3	139	151.5	-11.7	28.8	0	0	0	109.5
825	A	32.5	Very low	33.1	Very low	98 Å²	98	143.1 Å²	143.1	81%	0.81	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-72.8	140.2	177.1	0	0	0	0	0	111.4	L827	A825-L827 PolarHBondContact O-N 3.09Å
826	L	34.6	Very low	33.3	Very low	172 Å²	172	137.9 Å²	137.9	90%	0.901	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-70.3	121	165.1	-75.1	167.4	0	0	0	108.6
827	L	33.1	Very low	33.5	Very low	160 Å²	160	139.2 Å²	139.2	84%	0.838	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-60.1	140.4	168	-71.8	166.3	0	0	0	109.3	A825 T829	A825-L827 PolarHBondContact O-N 3.09Å; L827-T829 PolarHBondContact O-N 2.73Å
828	P	37.4	Very low	33.8	Very low	118 Å²	118	137.7 Å²	137.7	77%	0.766	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-63.2	130.3	175.5	27.2	-33.4	0	0	0	109.4
829	T	37	Very low	34.1	Very low	124 Å²	124	137.1 Å²	137.1	76%	0.761	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-53.7	133	170.6	-30.1	0	0	0	0	108.6	L827 Q831	L827-T829 PolarHBondContact O-N 2.73Å; T829-Q831 PolarHBondContact O-N 2.76Å
830	P	36.4	Very low	34.8	Very low	121 Å²	121	135.7 Å²	135.7	79%	0.786	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-57.7	118.2	173.2	23.9	-33.1	0	0	0	108.3	Q832	P830-Q832 PolarHBondContact O-N 2.86Å
831	Q	31.7	Very low	36.1	Very low	187 Å²	187	130.6 Å²	130.6	87%	0.874	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-58.9	131.3	171.9	-71.2	179.9	-27.4	0	0	107.4	T829	T829-Q831 PolarHBondContact O-N 2.76Å
832	Q	33.1	Very low	38.1	Very low	180 Å²	180	127.4 Å²	127.4	84%	0.841	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-54.9	136.6	167.7	-67.8	178.8	-78.1	0	0	107.7	P830 T834	P830-Q832 PolarHBondContact O-N 2.86Å; Q832-T834 PolarHBondContact O-N 3.4Å; Q832-T834 VanDerWaalsContact O-N 3.15Å
833	P	34.5	Very low	40.5	Very low	123 Å²	123	123.1 Å²	123.1	80%	0.799	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-55.8	126.9	176.5	23.6	-32.8	0	0	0	108.6
834	T	32.3	Very low	43.3	Very low	123 Å²	123	120.4 Å²	120.4	76%	0.755	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-48.4	134	168.2	46.7	0	0	0	0	108.4	Q832 S836	Q832-T834 PolarHBondContact O-N 3.4Å; Q832-T834 VanDerWaalsContact O-N 3.15Å; T834-S836 PolarHBondContact O-N 3.07Å
835	P	33.8	Very low	45.9	Very low	129 Å²	129	115.1 Å²	115.1	84%	0.838	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-54.3	118	-178.8	22.1	-32.8	0	0	0	109.1
836	S	33.6	Very low	48.8	Very low	98 Å²	98	115.9 Å²	115.9	69%	0.685	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-57.9	148	178.6	47.8	0	0	0	0	110	T834 G838	T834-S836 PolarHBondContact O-N 3.07Å; S836-G838 WeakPolarHBondContact O-CA 3.48Å; S836-G838 PolarHBondContact O-N 3.22Å
837	V	35.6	Very low	51.6	Low	154 Å²	154	107.9 Å²	107.9	93%	0.933	64%	0.64	S	S	*	*	S	Bend	trans	-41.3	125.4	-178.4	-180	0	0	0	0	110.4	T839	V837-T839 PolarHBondContact O-N 2.99Å
838	G	33.4	Very low	54.4	Low	58 Å²	58	104.6 Å²	104.6	60%	0.598	63%	0.629	S	S	*	*			trans	-60.9	127.3	-145.5	0	0	0	0	0	115.2	S836 V840	S836-G838 WeakPolarHBondContact O-CA 3.48Å; S836-G838 PolarHBondContact O-N 3.22Å; G838-V840 VanDerWaalsContact C-N 3.34Å; G838-V840 PolarHBondContact O-N 3.49Å
839	T	36.3	Very low	56.9	Low	135 Å²	135	109.6 Å²	109.6	83%	0.828	63%	0.632	S	S	*	*			trans	-56.1	103	149	-49.9	0	0	0	0	107.1	V837 A841	V837-T839 PolarHBondContact O-N 2.99Å; T839-A841 PolarHBondContact O-N 3.15Å
840	V	47.7	Very low	59.5	Low	111 Å²	111	105.2 Å²	105.2	67%	0.673	61%	0.606	S	S	*	*			trans	-59.9	113	177.1	179	0	0	0	0	107.2	G838 T842	G838-V840 VanDerWaalsContact C-N 3.34Å; G838-V840 PolarHBondContact O-N 3.49Å; V840-T842 PolarHBondContact O-N 3.33Å
841	A	60.1	Low	62.1	Low	66 Å²	66	101.1 Å²	101.1	55%	0.545	58%	0.579	S	S	.	*			trans	-57.8	127.1	177.6	0	0	0	0	0	108.5	T839 I843	T839-A841 PolarHBondContact O-N 3.15Å; A841-I843 WeakPolarHBondContact O-CG1 3.19Å; A841-I843 PolarHBondContact O-N 3.02Å
842	T	74.8	Confident	64.9	Low	93 Å²	93	96.3 Å²	96.3	57%	0.571	57%	0.572	S	S	*	*			trans	-62.5	113.3	175.4	-69.8	0	0	0	0	108.6	A617 V840	A617-T842 HydrophobicContact CB-CG2 3.51Å; V840-T842 PolarHBondContact O-N 3.33Å
843	I	84.4	Confident	67.8	Low	22 Å²	22	90.7 Å²	90.7	11%	0.113	55%	0.546	C	S	.	.			trans	-99.5	128.7	-177.6	-72.8	147.2	0	0	0	107.6	S615 T616 A841 L845 L901	S615-I843 WeakPolarHBondContact CA-O 3.43Å; T616-I843 HydrophobicContact CG2-CB 4.26Å; T616-I843 PolarHBondContact N-O 3.05Å; T616-I843 PolarHBondContact OG1-N 2.86Å; A841-I843 WeakPolarHBondContact O-CG1 3.19Å; A841-I843 PolarHBondContact O-N 3.02Å; I843-L845 HydrophobicContact CG2-CD1 3.9Å; I843-L845 HydrophobicContact CG2-CD2 3.8Å; I843-L845 HydrophobicContact CG2-CG 3.65Å; I843-L901 HydrophobicContact CD1-CD2 3.7Å
844	Q	90.1	Very high	70.7	Confident	135 Å²	135	84.9 Å²	84.9	63%	0.631	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.4	133.9	170.2	-71.4	-175.3	-27.7	0	0	108.7	T613 L614	T613-Q844 HydrophobicContact CG2-CB 4.03Å; T613-Q844 HydrophobicContact CG2-CG 4.43Å; L614-Q844 CarbonylContact O-C 3.54Å; L614-Q844 WeakPolarHBondContact O-CA 3.37Å
845	L	91.7	Very high	73.6	Confident	10 Å²	10	85.9 Å²	85.9	5%	0.052	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	108.8	-171.1	-61	164.3	0	0	0	108.1	W576 Y595 T613 L614 I843 V865 F898	W576-L845 HydrophobicContact CH2-CD1 3.71Å; W576-L845 HydrophobicContact CZ2-CD1 4.29Å; Y595-L845 HydrophobicContact CE1-CD1 4.06Å; Y595-L845 HydrophobicContact CE1-CD2 4.49Å; Y595-L845 WeakPolarHBondContact OH-CD1 3.42Å; T613-L845 CarbonylContact C-O 3.51Å; T613-L845 WeakPolarHBondContact CA-O 3.34Å; L614-L845 HydrophobicContact CB-CB 4.29Å; L614-L845 PolarHBondContact N-O 3.5Å; L614-L845 PolarHBondContact O-N 3.33Å; I843-L845 HydrophobicContact CG2-CD1 3.9Å; I843-L845 HydrophobicContact CG2-CD2 3.8Å; I843-L845 HydrophobicContact CG2-CG 3.65Å; L845-V865 HydrophobicContact CB-CG1 4.01Å; L845-V865 HydrophobicContact CD1-CG1 4.09Å; L845-V865 HydrophobicContact CD1-CG2 4.48Å; L845-V865 HydrophobicContact CD2-CG1 3.91Å; L845-V865 HydrophobicContact CG-CG1 4.2Å; L845-F898 HydrophobicContact CD2-CD1 3.94Å; L845-F898 HydrophobicContact CD2-CE1 4.42Å
846	E	92.8	Very high	76.3	Confident	114 Å²	114	82 Å²	82	53%	0.533	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	129.1	171.7	-174.1	175.3	-177.7	0	0	109.5	P848	E846-P848 VanDerWaalsContact O-CD 3.27Å; E846-P848 WeakPolarHBondContact O-CD 3.43Å
847	V	94.2	Very high	79	Confident	4 Å²	4	80.4 Å²	80.4	2%	0.024	46%	0.458	C	S	.	.			trans	-84.8	109.4	175.3	-179	0	0	0	0	107.8	M612 L614 R849 P850 V863	M612-V847 HydrophobicContact CB-CB 4.16Å; M612-V847 HydrophobicContact CB-CG2 4.26Å; M612-V847 HydrophobicContact CG-CB 4.44Å; M612-V847 HydrophobicContact CG-CG2 4.02Å; M612-V847 PolarHBondContact O-N 2.76Å; M612-V847 HydrophobicContact SD-CB 4.48Å; M612-V847 HydrophobicContact SD-CG2 4.08Å; L614-V847 HydrophobicContact CD1-CG2 4.24Å; L614-V847 HydrophobicContact CD2-CG2 4.33Å; L614-V847 HydrophobicContact CG-CG2 3.81Å; V847-R849 PolarHBondContact O-N 3.18Å; V847-P850 HydrophobicContact CG1-CB 4.47Å; V847-V863 HydrophobicContact CG1-CB 3.88Å; V847-V863 HydrophobicContact CG1-CG2 4.07Å; V847-V863 HydrophobicContact CG2-CG2 3.93Å
848	P	91.2	Very high	81.7	Confident	92 Å²	92	76.9 Å²	76.9	60%	0.597	43%	0.434	S	S	*	.	S	Bend	trans	-69.5	-15.3	-167.4	-21.9	35.2	0	0	0	114.5	E846 T864	E846-P848 VanDerWaalsContact O-CD 3.27Å; E846-P848 WeakPolarHBondContact O-CD 3.43Å; P848-T864 WeakPolarHBondContact CD-O 3.34Å
849	R	91.1	Very high	84.5	Confident	223 Å²	223	79.1 Å²	79.1	84%	0.842	43%	0.429	S	S	*	.	S	Bend	trans	-148.6	87.1	174.2	-58.4	-177	-156.5	160.2	8.5	108.5	V847	V847-R849 PolarHBondContact O-N 3.18Å
850	P	91.5	Very high	87.2	Confident	31 Å²	31	75.6 Å²	75.6	20%	0.201	41%	0.408	C	S	.	.			trans	-64	154.1	173	26.9	-32.8	0	0	0	110.6	T609 M612 V847	T609-P850 HydrophobicContact CG2-CB 4.33Å; M612-P850 HydrophobicContact CB-CB 3.88Å; M612-P850 HydrophobicContact CB-CG 4.44Å; M612-P850 HydrophobicContact SD-CB 4.2Å; V847-P850 HydrophobicContact CG1-CB 4.47Å
851	P	91.4	Very high	89.5	Confident	36 Å²	36	72.4 Å²	72.4	23%	0.234	39%	0.387	C	S	.	.			trans	-54.2	149.1	164.6	-23.3	34.8	0	0	0	110.7	I853 I854 V863	P851-I853 WeakPolarHBondContact CB-O 3.48Å; P851-I853 PolarHBondContact O-N 3.33Å; P851-I854 HydrophobicContact CB-CG1 4.01Å; P851-I854 HydrophobicContact CG-CD1 4.31Å; P851-I854 HydrophobicContact CG-CG1 4Å; P851-V863 HydrophobicContact CG-CG1 3.73Å
852	A	90	Very high	91.1	Very high	86 Å²	86	75.2 Å²	75.2	71%	0.711	38%	0.384	S	S	*	.	S	Bend	trans	-64.7	-29	177.2	0	0	0	0	0	112.5
853	I	93.2	Very high	92.1	Very high	61 Å²	61	71 Å²	71	31%	0.313	36%	0.358	S	S	.	.			trans	-146.3	141.4	176	-165.6	167.4	0	0	0	108.3	D606 W607 E608 P851	D606-I853 HydrophobicContact CB-CD1 3.96Å; D606-I853 HydrophobicContact CB-CG1 4.1Å; D606-I853 WeakPolarHBondContact OD2-CD1 3.41Å; W607-I853 WeakPolarHBondContact O-CA 3.25Å; E608-I853 HydrophobicContact CG-CB 4.38Å; E608-I853 HydrophobicContact CG-CD1 4.27Å; E608-I853 HydrophobicContact CG-CG1 4.09Å; P851-I853 WeakPolarHBondContact CB-O 3.48Å; P851-I853 PolarHBondContact O-N 3.33Å
854	I	95.1	Very high	92.7	Very high	1 Å²	1	73 Å²	73	1%	0.005	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-119.5	112.6	167.3	-58.1	174.4	0	0	0	106.6	V599 Q601 W607 M612 P851 N861	V599-I854 HydrophobicContact CG1-CD1 4.32Å; Q601-I854 HydrophobicContact CG-CG2 4.07Å; Q601-I854 PolarHBondContact NE2-O 2.92Å; Q601-I854 VanDerWaalsContact NE2-O 3.09Å; W607-I854 HydrophobicContact CB-CB 4.21Å; W607-I854 HydrophobicContact CE3-CB 4.47Å; W607-I854 HydrophobicContact CE3-CG2 4.43Å; W607-I854 PolarHBondContact N-O 3.12Å; W607-I854 PolarHBondContact O-N 3.04Å; M612-I854 HydrophobicContact CE-CD1 3.44Å; M612-I854 VanDerWaalsContact CE-CD1 3.44Å; M612-I854 HydrophobicContact SD-CD1 3.91Å; P851-I854 HydrophobicContact CB-CG1 4.01Å; P851-I854 HydrophobicContact CG-CD1 4.31Å; P851-I854 HydrophobicContact CG-CG1 4Å; I854-N861 HydrophobicContact CG2-CB 4.1Å
855	R	93.3	Very high	92.9	Very high	144 Å²	144	66.7 Å²	66.7	54%	0.543	34%	0.342	S	S	.	.			trans	-74.2	157.5	-169.8	-68.6	-163.6	-167.5	110	-1.4	113.5	Q601 D606 D857	Q601-R855 WeakPolarHBondContact CG-O 3.39Å; Q601-R855 PolarHBondContact NE2-O 3.41Å; D606-R855 VanDerWaalsContact OD1-CA 3.26Å; D606-R855 WeakPolarHBondContact OD1-CA 3.12Å; R855-D857 HydrophobicContact CB-CB 4.24Å; R855-D857 VanDerWaalsContact CB-OD2 3.3Å; R855-D857 WeakPolarHBondContact CB-OD2 3.42Å; R855-D857 IonicContact NH1-OD2 3.89Å; R855-D857 PolarHBondContact O-N 2.71Å
856	C	91.6	Very high	92.9	Very high	48 Å²	48	66.6 Å²	66.6	32%	0.324	34%	0.344	S	S	.	.	S	Bend	trans	-83.6	45.6	167	-173.1	0	0	0	0	111.5	G604 D606	G604-C856 VanDerWaalsContact CA-SG 3.56Å; G604-C856 PolarHBondContact N-SG 2.96Å; D606-C856 PolarHBondContact OD1-N 2.76Å
857	D	90.6	Very high	93	Very high	65 Å²	65	67.1 Å²	67.1	35%	0.348	35%	0.349	S	S	.	.	S	Bend	trans	-98.5	-0.6	176.6	52.1	17.3	0	0	0	112.9	R855 E859	R855-D857 HydrophobicContact CB-CB 4.24Å; R855-D857 VanDerWaalsContact CB-OD2 3.3Å; R855-D857 WeakPolarHBondContact CB-OD2 3.42Å; R855-D857 IonicContact NH1-OD2 3.89Å; R855-D857 PolarHBondContact O-N 2.71Å; D857-E859 PolarHBondContact O-N 2.82Å; D857-E859 WeakPolarHBondContact OD1-CB 3.4Å; D857-E859 PolarHBondContact OD1-N 3.24Å; D857-E859 VanDerWaalsContact OD1-N 3.12Å
858	N	90.7	Very high	93	Very high	79 Å²	79	67 Å²	67	42%	0.422	35%	0.348	S	S	.	.			trans	57.6	17.3	-171.1	-158.6	41.4	0	0	0	114.3	Q600 Q601 A602	Q600-N858 WeakPolarHBondContact CG-O 3.04Å; Q600-N858 PolarHBondContact NE2-O 2.58Å; Q601-N858 WeakPolarHBondContact O-CA 3.37Å; Q601-N858 PolarHBondContact O-N 2.85Å; Q601-N858 VanDerWaalsContact O-N 3.1Å; A602-N858 HydrophobicContact CB-CB 4.05Å
859	E	92.6	Very high	93.1	Very high	106 Å²	106	67.4 Å²	67.4	50%	0.495	35%	0.346	S	S	.	.			trans	-88.3	143	178.2	-76.7	-67	127.8	0	0	112	D857 N861	D857-E859 PolarHBondContact O-N 2.82Å; D857-E859 WeakPolarHBondContact OD1-CB 3.4Å; D857-E859 PolarHBondContact OD1-N 3.24Å; D857-E859 VanDerWaalsContact OD1-N 3.12Å; E859-N861 PolarHBondContact O-N 3.44Å; E859-N861 PolarHBondContact O-ND2 3.41Å
860	P	93.4	Very high	93.2	Very high	61 Å²	61	57.1 Å²	57.1	40%	0.396	31%	0.307	S	S	.	.			trans	-76.7	93	-174	31.5	-35.5	0	0	0	111.9	M598 V599 R862	M598-P860 HydrophobicContact CE-CB 3.87Å; M598-P860 HydrophobicContact CE-CG 4.45Å; M598-P860 WeakPolarHBondContact CE-O 3.38Å; V599-P860 CarbonylContact O-C 3.6Å; P860-R862 PolarHBondContact O-N 2.89Å
861	N	95.2	Very high	93.2	Very high	44 Å²	44	63.9 Å²	63.9	24%	0.235	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	113.4	177.6	-80.9	-99.5	0	0	0	111.1	V599 I854 E859 V863	V599-N861 PolarHBondContact N-O 3.02Å; V599-N861 WeakPolarHBondContact O-CB 3.46Å; V599-N861 PolarHBondContact O-N 2.95Å; I854-N861 HydrophobicContact CG2-CB 4.1Å; E859-N861 PolarHBondContact O-N 3.44Å; E859-N861 PolarHBondContact O-ND2 3.41Å; N861-V863 PolarHBondContact O-N 2.97Å
862	R	95.2	Very high	93.4	Very high	124 Å²	124	63 Å²	63	47%	0.468	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	114.1	-179.3	-172.1	-172.7	-62.2	-150	6	111.6	D581 Y596 M598 P860	D581-R862 IonicContact OD1-NH1 3.62Å; Y596-R862 HydrophobicContact CD1-CG 3.53Å; Y596-R862 HydrophobicContact CD2-CG 4.34Å; Y596-R862 HydrophobicContact CE1-CG 4.09Å; Y596-R862 VanDerWaalsContact CE2-NH1 3.34Å; Y596-R862 HydrophobicContact CG-CG 3.66Å; M598-R862 HydrophobicContact CE-CB 3.9Å; M598-R862 HydrophobicContact CE-CG 4.44Å; M598-R862 HydrophobicContact SD-CB 3.81Å; M598-R862 HydrophobicContact SD-CG 3.72Å; P860-R862 PolarHBondContact O-N 2.89Å
863	V	95.9	Very high	93.4	Very high	4 Å²	4	65 Å²	65	2%	0.024	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	138.1	172.7	-50.5	0	0	0	0	110.8	Y596 G597 V599 M612 L614 V847 P851 N861	Y596-V863 CarbonylContact C-O 3.6Å; Y596-V863 WeakPolarHBondContact CA-O 3.45Å; G597-V863 PolarHBondContact N-O 3.37Å; G597-V863 PolarHBondContact O-N 3.41Å; V599-V863 HydrophobicContact CG2-CG1 4.32Å; V599-V863 HydrophobicContact CG2-CG2 3.95Å; M612-V863 HydrophobicContact SD-CG1 4.4Å; L614-V863 HydrophobicContact CD1-CG2 3.84Å; V847-V863 HydrophobicContact CG1-CB 3.88Å; V847-V863 HydrophobicContact CG1-CG2 4.07Å; V847-V863 HydrophobicContact CG2-CG2 3.93Å; P851-V863 HydrophobicContact CG-CG1 3.73Å; N861-V863 PolarHBondContact O-N 2.97Å
864	T	95.6	Very high	93.2	Very high	64 Å²	64	65.2 Å²	65.2	39%	0.393	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	121.4	179	-54.3	0	0	0	0	110.2	V594 P848	V594-T864 HydrophobicContact CG1-CG2 4.2Å; P848-T864 WeakPolarHBondContact CD-O 3.34Å
865	V	94.1	Very high	93	Very high	4 Å²	4	66.5 Å²	66.5	2%	0.024	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-50.6	173.1	171	0	0	0	0	110.4	Y595 L614 L845 F898	Y595-V865 HydrophobicContact CD1-CB 4.02Å; Y595-V865 HydrophobicContact CD1-CG1 3.65Å; Y595-V865 HydrophobicContact CD2-CB 4.41Å; Y595-V865 HydrophobicContact CE1-CB 4.46Å; Y595-V865 HydrophobicContact CE1-CG1 3.87Å; Y595-V865 HydrophobicContact CG-CB 4Å; Y595-V865 HydrophobicContact CG-CG1 4.16Å; Y595-V865 PolarHBondContact O-N 3Å; L614-V865 HydrophobicContact CD1-CG2 3.82Å; L845-V865 HydrophobicContact CB-CG1 4.01Å; L845-V865 HydrophobicContact CD1-CG1 4.09Å; L845-V865 HydrophobicContact CD1-CG2 4.48Å; L845-V865 HydrophobicContact CD2-CG1 3.91Å; L845-V865 HydrophobicContact CG-CG1 4.2Å; V865-F898 HydrophobicContact CG1-CD1 4.27Å; V865-F898 HydrophobicContact CG1-CE1 4.09Å
866	G	92.9	Very high	93.1	Very high	8 Å²	8	60.6 Å²	60.6	8%	0.082	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	166.6	-170.8	0	0	0	0	0	114.8	Y595	Y595-G866 PolarHBondContact N-O 2.82Å; Y595-G866 PolarHBondContact O-N 2.86Å
867	L	94.8	Very high	93.3	Very high	124 Å²	124	59.4 Å²	59.4	65%	0.649	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.2	110.9	174.8	-66.1	171.5	0	0	0	107.8	V594	V594-L867 HydrophobicContact CB-CD2 4.14Å; V594-L867 HydrophobicContact CG1-CD2 3.77Å; V594-L867 HydrophobicContact CG2-CD2 3.78Å
868	L	94.1	Very high	93.6	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	103.2	-175.6	-64.8	72.5	0	0	0	108.7	K592 I593 T896 F898 I900	K592-L868 WeakPolarHBondContact CA-O 3.42Å; I593-L868 HydrophobicContact CB-CB 4.2Å; I593-L868 PolarHBondContact N-O 3.35Å; I593-L868 PolarHBondContact O-N 2.76Å; L868-T896 HydrophobicContact CB-CG2 3.97Å; L868-T896 HydrophobicContact CD2-CG2 4.08Å; L868-T896 WeakPolarHBondContact CD2-OG1 3.28Å; L868-T896 HydrophobicContact CG-CG2 3.9Å; L868-F898 HydrophobicContact CD1-CD2 4.21Å; L868-F898 HydrophobicContact CD2-CB 4.41Å; L868-F898 HydrophobicContact CG-CD2 4.27Å; L868-I900 HydrophobicContact CD2-CD1 4.04Å; L868-I900 HydrophobicContact CD2-CG1 4Å
869	D	93.6	Very high	93.9	Very high	101 Å²	101	55.6 Å²	55.6	54%	0.54	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	116.6	174.5	-78.5	-9.3	0	0	0	110.1	K592	K592-D869 WeakPolarHBondContact CD-OD1 3.19Å; K592-D869 VanDerWaalsContact CG-OD1 3.28Å; K592-D869 WeakPolarHBondContact CG-OD1 3.37Å; K592-D869 IonicContact NZ-OD1 2.62Å; K592-D869 PolarHBondContact NZ-OD1 2.98Å; K592-D869 IonicContact NZ-OD2 2.66Å; K592-D869 PolarHBondContact NZ-OD2 3.38Å
870	L	93	Very high	94.1	Very high	8 Å²	8	50.8 Å²	50.8	4%	0.042	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	153.9	-174.1	-63.1	177.5	0	0	0	112.1	M591 I593 P872 A892 T896 F928	M591-L870 HydrophobicContact CE-CB 4.16Å; M591-L870 HydrophobicContact CE-CD1 3.96Å; M591-L870 PolarHBondContact N-O 3.39Å; M591-L870 PolarHBondContact O-N 3.37Å; M591-L870 VanDerWaalsContact O-O 3.07Å; I593-L870 HydrophobicContact CD1-CD1 3.87Å; I593-L870 HydrophobicContact CG1-CD1 4.22Å; L870-P872 WeakPolarHBondContact O-CD 3.37Å; L870-A892 HydrophobicContact CD1-CB 4.44Å; L870-T896 HydrophobicContact CD2-CG2 4.19Å; L870-F928 HydrophobicContact CD1-CE1 4.08Å; L870-F928 HydrophobicContact CD1-CZ 3.79Å
871	Q	91.8	Very high	94.1	Very high	173 Å²	173	52.4 Å²	52.4	81%	0.808	25%	0.252	S	S	*	.			trans	-115.2	89.8	172.9	-68.6	-177.4	0.9	0	0	109
872	P	93.6	Very high	94	Very high	16 Å²	16	58.5 Å²	58.5	10%	0.104	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-76.8	158.7	177.4	33.2	-37	0	0	0	111.8	M591 L870 Y874 A890 T891 A892	M591-P872 HydrophobicContact CB-CG 3.7Å; M591-P872 HydrophobicContact CE-CB 4.29Å; M591-P872 HydrophobicContact CE-CG 4.35Å; M591-P872 HydrophobicContact SD-CG 4.29Å; L870-P872 WeakPolarHBondContact O-CD 3.37Å; P872-Y874 HydrophobicContact CG-CD2 4.48Å; P872-Y874 HydrophobicContact CG-CE1 3.95Å; P872-Y874 HydrophobicContact CG-CE2 3.75Å; P872-Y874 VanDerWaalsContact CG-CZ 3.43Å; P872-Y874 WeakPolarHBondContact CG-OH 3.26Å; P872-A890 HydrophobicContact CB-CB 3.84Å; P872-A890 HydrophobicContact CG-CB 4.38Å; P872-T891 CarbonylContact C-O 3.59Å; P872-T891 VanDerWaalsContact CA-O 3.29Å; P872-T891 WeakPolarHBondContact CA-O 3.47Å; P872-A892 HydrophobicContact CB-CB 4.14Å
873	R	91.1	Very high	93.9	Very high	130 Å²	130	53.9 Å²	53.9	49%	0.491	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	123.7	154.8	168	177.3	150.3	152	-4.4	108.7	E875 T891	R873-E875 IonicContact CZ-OE2 3.63Å; R873-E875 VanDerWaalsContact CZ-OE2 3.26Å; R873-E875 IonicContact NE-OE2 3.27Å; R873-E875 PolarHBondContact NE-OE2 3.37Å; R873-E875 IonicContact NH2-OE2 2.65Å; R873-E875 PolarHBondContact NH2-OE2 3.48Å; R873-T891 PolarHBondContact N-O 3.24Å; R873-T891 PolarHBondContact O-N 2.73Å
874	Y	89.3	Confident	93.9	Very high	65 Å²	65	58.2 Å²	58.2	26%	0.255	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	139.3	169.1	-60.4	-75.9	0	0	0	111.4	I584 G589 T590 P872 L888 K889 A890 L932	I584-Y874 HydrophobicContact CG2-CE1 4.2Å; G589-Y874 WeakPolarHBondContact O-CE2 3.43Å; T590-Y874 PolarHBondContact O-OH 2.91Å; P872-Y874 HydrophobicContact CG-CD2 4.48Å; P872-Y874 HydrophobicContact CG-CE1 3.95Å; P872-Y874 HydrophobicContact CG-CE2 3.75Å; P872-Y874 VanDerWaalsContact CG-CZ 3.43Å; P872-Y874 WeakPolarHBondContact CG-OH 3.26Å; Y874-L888 HydrophobicContact CD1-CD1 4.1Å; Y874-L888 HydrophobicContact CD1-CG 4.44Å; Y874-K889 WeakPolarHBondContact CA-O 3.34Å; Y874-A890 HydrophobicContact CD1-CB 4.14Å; Y874-A890 HydrophobicContact CE1-CB 4Å; Y874-L932 HydrophobicContact CD1-CD1 4.02Å; Y874-L932 HydrophobicContact CE1-CD1 3.69Å
875	E	90.7	Very high	93.8	Very high	27 Å²	27	60.7 Å²	60.7	13%	0.126	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	150.8	170.3	57.6	-165.6	-161.2	0	0	109.1	R873 K889	R873-E875 IonicContact CZ-OE2 3.63Å; R873-E875 VanDerWaalsContact CZ-OE2 3.26Å; R873-E875 IonicContact NE-OE2 3.27Å; R873-E875 PolarHBondContact NE-OE2 3.37Å; R873-E875 IonicContact NH2-OE2 2.65Å; R873-E875 PolarHBondContact NH2-OE2 3.48Å; E875-K889 HydrophobicContact CG-CB 4.34Å; E875-K889 HydrophobicContact CG-CD 4.19Å; E875-K889 PolarHBondContact N-O 3.45Å; E875-K889 WeakPolarHBondContact O-CA 3.41Å; E875-K889 WeakPolarHBondContact O-CB 3.49Å; E875-K889 PolarHBondContact O-N 3.04Å; E875-K889 VanDerWaalsContact O-O 3.09Å; E875-K889 IonicContact OE1-NZ 2.76Å; E875-K889 PolarHBondContact OE1-NZ 3.19Å
876	Y	95	Very high	93.9	Very high	20 Å²	20	60.5 Å²	60.5	8%	0.078	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	144.3	174.2	-66.5	-88.7	0	0	0	110.1	Y887 L888 E935 I938 R975 V977 R978 L979 M980	Y876-Y887 CarbonylContact C-O 3.59Å; Y876-Y887 WeakPolarHBondContact CA-O 3.41Å; Y876-L888 HydrophobicContact CD1-CB 4.13Å; Y876-L888 HydrophobicContact CD1-CD1 4.12Å; Y876-L888 HydrophobicContact CE1-CB 3.91Å; Y876-L888 HydrophobicContact CE1-CD1 3.75Å; Y876-L888 HydrophobicContact CE1-CG 4.37Å; Y876-L888 HydrophobicContact CE2-CD1 4.31Å; Y876-E935 HydrophobicContact CD1-CB 3.94Å; Y876-E935 HydrophobicContact CD1-CG 4.04Å; Y876-E935 HydrophobicContact CE1-CB 3.61Å; Y876-E935 HydrophobicContact CE1-CG 3.41Å; Y876-E935 VanDerWaalsContact CE1-CG 3.41Å; Y876-E935 WeakPolarHBondContact CE1-OE2 3.44Å; Y876-E935 PolarHBondContact OH-OE2 3.12Å; Y876-I938 HydrophobicContact CD1-CD1 3.74Å; Y876-I938 HydrophobicContact CD2-CD1 3.85Å; Y876-I938 HydrophobicContact CE1-CD1 4.25Å; Y876-I938 HydrophobicContact CE2-CD1 4.32Å; Y876-I938 HydrophobicContact CG-CD1 3.49Å; Y876-I938 VanDerWaalsContact CG-CD1 3.49Å; Y876-R975 PolarHBondContact OH-NH2 2.84Å; Y876-R975 VanDerWaalsContact OH-NH2 3.09Å; Y876-V977 HydrophobicContact CD2-CG1 3.53Å; Y876-V977 HydrophobicContact CE2-CG1 3.85Å; Y876-V977 HydrophobicContact CG-CG1 4.4Å; Y876-R978 PolarHBondContact N-O 2.8Å; Y876-L979 CarbonylContact O-C 3.59Å; Y876-L979 WeakPolarHBondContact O-CA 3.48Å; Y876-M980 PolarHBondContact O-N 3.3Å
877	V	96.2	Very high	93.9	Very high	23 Å²	23	64.1 Å²	64.1	14%	0.139	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	144	177.6	-172.6	0	0	0	0	109.6	A886 Y887 K889 M980 V982	V877-A886 CarbonylContact O-C 3.48Å; V877-Y887 PolarHBondContact N-O 3.42Å; V877-Y887 PolarHBondContact O-N 3.01Å; V877-K889 HydrophobicContact CG2-CB 4.13Å; V877-K889 HydrophobicContact CG2-CD 3.77Å; V877-M980 CarbonylContact C-O 3.55Å; V877-M980 WeakPolarHBondContact CA-O 3.41Å; V877-M980 HydrophobicContact CG1-CE 3.71Å; V877-M980 HydrophobicContact CG2-CB 4.39Å; V877-M980 HydrophobicContact CG2-CE 4.02Å; V877-V982 HydrophobicContact CG1-CG2 4.28Å
878	T	97.2	Very high	93.7	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.006	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	148.9	172.4	-175.9	0	0	0	0	111.7	P880 Y885 I940 L979 M980 V981 V982	T878-P880 HydrophobicContact CG2-CG 3.98Å; T878-Y885 WeakPolarHBondContact CB-O 3.37Å; T878-Y885 PolarHBondContact OG1-O 3.34Å; T878-I940 HydrophobicContact CG2-CD1 3.7Å; T878-I940 WeakPolarHBondContact OG1-CD1 3.47Å; T878-L979 HydrophobicContact CG2-CD1 3.99Å; T878-L979 HydrophobicContact CG2-CG 4.46Å; T878-M980 PolarHBondContact N-O 2.77Å; T878-V981 HydrophobicContact CG2-CB 4.17Å; T878-V981 HydrophobicContact CG2-CG1 4.14Å; T878-V981 HydrophobicContact CG2-CG2 3.84Å; T878-V982 PolarHBondContact O-N 2.88Å
879	V	96.8	Very high	93.6	Very high	64 Å²	64	60.6 Å²	60.6	39%	0.388	28%	0.275	S	S	.	.			trans	-125.2	78.3	174.4	-171.5	0	0	0	0	107.2	K881 R882 S883 V982	V879-K881 PolarHBondContact O-N 3Å; V879-R882 HydrophobicContact CG1-CB 4.2Å; V879-R882 HydrophobicContact CG1-CG 4.15Å; V879-R882 PolarHBondContact O-N 2.98Å; V879-S883 PolarHBondContact O-N 3.02Å; V879-V982 HydrophobicContact CG2-CB 4.39Å
880	P	95.9	Very high	93.5	Very high	4 Å²	4	55.9 Å²	55.9	3%	0.026	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-26.9	-163.7	-29.5	39.7	0	0	0	114.9	T878 R882 S883 I940 Y942 I967 V981 V982	T878-P880 HydrophobicContact CG2-CG 3.98Å; P880-R882 VanDerWaalsContact C-N 3.27Å; P880-R882 PolarHBondContact O-N 2.96Å; P880-S883 WeakPolarHBondContact CA-O 3.48Å; P880-I940 HydrophobicContact CB-CG2 3.98Å; P880-I940 HydrophobicContact CG-CG2 3.99Å; P880-Y942 HydrophobicContact CB-CD2 3.57Å; P880-Y942 HydrophobicContact CB-CE2 4.3Å; P880-Y942 HydrophobicContact CB-CG 4.15Å; P880-I967 HydrophobicContact CB-CG2 4.14Å; P880-I967 HydrophobicContact CG-CD1 4.46Å; P880-I967 HydrophobicContact CG-CG2 3.9Å; P880-V981 HydrophobicContact CG-CG1 3.96Å; P880-V982 VanDerWaalsContact CD-O 3.31Å; P880-V982 WeakPolarHBondContact CD-O 3.31Å
881	K	93.7	Very high	93.5	Very high	96 Å²	96	56.3 Å²	56.3	42%	0.417	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-20.5	174.8	-169.4	179.6	175.9	-169	0	113.8	V879 Y942 Q984	V879-K881 PolarHBondContact O-N 3Å; K881-Y942 HydrophobicContact CB-CE1 4.36Å; K881-Y942 HydrophobicContact CB-CE2 4.16Å; K881-Y942 HydrophobicContact CG-CE1 4.36Å; K881-Q984 HydrophobicContact CD-CG 4.16Å
882	R	93.4	Very high	93.6	Very high	171 Å²	171	48.3 Å²	48.3	65%	0.645	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.8	-32.5	177.1	-67.3	-65.4	-161.5	168	10.3	112.9	V879 P880 E1056	V879-R882 HydrophobicContact CG1-CB 4.2Å; V879-R882 HydrophobicContact CG1-CG 4.15Å; V879-R882 PolarHBondContact O-N 2.98Å; P880-R882 VanDerWaalsContact C-N 3.27Å; P880-R882 PolarHBondContact O-N 2.96Å; R882-E1056 IonicContact NH2-OE1 3.8Å
883	S	93.9	Very high	93.7	Very high	27 Å²	27	50 Å²	50	19%	0.189	23%	0.226	C	C	.	.			trans	-153.7	132.2	179.3	175.7	0	0	0	0	111.4	V879 P880 Y885 Y887	V879-S883 PolarHBondContact O-N 3.02Å; P880-S883 WeakPolarHBondContact CA-O 3.48Å; S883-Y885 PolarHBondContact O-N 2.77Å; S883-Y885 PolarHBondContact OG-N 2.81Å; S883-Y887 PolarHBondContact OG-OH 2.94Å
884	L	95	Very high	93.9	Very high	96 Å²	96	43.8 Å²	43.8	50%	0.503	20%	0.203	S	C	.	.	S	Bend	trans	-78.8	9.2	177.8	-61.5	179.6	0	0	0	113.8	I940	L884-I940 WeakPolarHBondContact O-CB 3.49Å
885	Y	94.1	Very high	94.1	Very high	115 Å²	115	46.9 Å²	46.9	45%	0.451	22%	0.224	S	C	.	.	S	Bend	trans	-95.8	150	173.5	-65.9	-80.6	0	0	0	111.6	T878 S883 A934	T878-Y885 WeakPolarHBondContact CB-O 3.37Å; T878-Y885 PolarHBondContact OG1-O 3.34Å; S883-Y885 PolarHBondContact O-N 2.77Å; S883-Y885 PolarHBondContact OG-N 2.81Å; Y885-A934 HydrophobicContact CD1-CB 4.37Å; Y885-A934 HydrophobicContact CG-CB 4.24Å
886	A	95.1	Very high	94.1	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	149.5	156	0	0	0	0	0	108.8	V877 A934 E935 I938 I940 L979	V877-A886 CarbonylContact O-C 3.48Å; A886-A934 CarbonylContact O-C 3.51Å; A886-A934 WeakPolarHBondContact O-CA 3.15Å; A886-E935 HydrophobicContact CB-CB 4.5Å; A886-E935 PolarHBondContact O-N 3.49Å; A886-I938 HydrophobicContact CB-CB 3.82Å; A886-I938 HydrophobicContact CB-CD1 3.81Å; A886-I938 HydrophobicContact CB-CG1 4.34Å; A886-I938 HydrophobicContact CB-CG2 3.99Å; A886-I940 HydrophobicContact CB-CD1 4.31Å; A886-L979 HydrophobicContact CB-CD1 4.06Å
887	Y	92.9	Very high	93.7	Very high	85 Å²	85	53.6 Å²	53.6	33%	0.333	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	134.4	177.7	-65.8	-98.9	0	0	0	108.8	Y876 V877 S883 G933 A934	Y876-Y887 CarbonylContact C-O 3.59Å; Y876-Y887 WeakPolarHBondContact CA-O 3.41Å; V877-Y887 PolarHBondContact N-O 3.42Å; V877-Y887 PolarHBondContact O-N 3.01Å; S883-Y887 PolarHBondContact OG-OH 2.94Å; Y887-G933 VanDerWaalsContact CA-O 3.31Å; Y887-G933 WeakPolarHBondContact CA-O 3.29Å; Y887-A934 HydrophobicContact CD1-CB 4.14Å; Y887-A934 HydrophobicContact CE1-CB 3.91Å
888	L	91	Very high	93.4	Very high	22 Å²	22	54.8 Å²	54.8	12%	0.115	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	131.4	173.9	179.3	62.6	0	0	0	108.9	Y874 Y876 L932 G933	Y874-L888 HydrophobicContact CD1-CD1 4.1Å; Y874-L888 HydrophobicContact CD1-CG 4.44Å; Y876-L888 HydrophobicContact CD1-CB 4.13Å; Y876-L888 HydrophobicContact CD1-CD1 4.12Å; Y876-L888 HydrophobicContact CE1-CB 3.91Å; Y876-L888 HydrophobicContact CE1-CD1 3.75Å; Y876-L888 HydrophobicContact CE1-CG 4.37Å; Y876-L888 HydrophobicContact CE2-CD1 4.31Å; L888-L932 HydrophobicContact CB-CB 4.11Å; L888-L932 HydrophobicContact CD2-CB 4.03Å; L888-L932 HydrophobicContact CD2-CD1 3.99Å; L888-L932 HydrophobicContact CG-CB 4Å; L888-L932 HydrophobicContact CG-CD1 4Å; L888-L932 PolarHBondContact O-N 3.07Å; L888-G933 PolarHBondContact N-O 3.44Å
889	K	92	Very high	93.1	Very high	29 Å²	29	56.1 Å²	56.1	13%	0.126	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	127.5	178.6	179.4	-170.5	170.5	-127.1	0	109.3	Y874 E875 V877 T891 N929 C930	Y874-K889 WeakPolarHBondContact CA-O 3.34Å; E875-K889 HydrophobicContact CG-CB 4.34Å; E875-K889 HydrophobicContact CG-CD 4.19Å; E875-K889 PolarHBondContact N-O 3.45Å; E875-K889 WeakPolarHBondContact O-CA 3.41Å; E875-K889 WeakPolarHBondContact O-CB 3.49Å; E875-K889 PolarHBondContact O-N 3.04Å; E875-K889 VanDerWaalsContact O-O 3.09Å; E875-K889 IonicContact OE1-NZ 2.76Å; E875-K889 PolarHBondContact OE1-NZ 3.19Å; V877-K889 HydrophobicContact CG2-CB 4.13Å; V877-K889 HydrophobicContact CG2-CD 3.77Å; K889-T891 PolarHBondContact NZ-OG1 2.88Å; K889-T891 VanDerWaalsContact NZ-OG1 3.09Å; K889-N929 WeakPolarHBondContact CE-OD1 3.45Å; K889-N929 PolarHBondContact NZ-OD1 2.98Å; K889-C930 WeakPolarHBondContact CA-O 3.32Å
890	A	91.8	Very high	92.9	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.008	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	133.5	165.4	0	0	0	0	0	109.7	M591 P872 Y874 N929 C930 L932	M591-A890 HydrophobicContact SD-CB 4.11Å; P872-A890 HydrophobicContact CB-CB 3.84Å; P872-A890 HydrophobicContact CG-CB 4.38Å; Y874-A890 HydrophobicContact CD1-CB 4.14Å; Y874-A890 HydrophobicContact CE1-CB 4Å; A890-N929 CarbonylContact O-C 3.59Å; A890-N929 VanDerWaalsContact O-CA 3.3Å; A890-N929 WeakPolarHBondContact O-CA 3.3Å; A890-C930 PolarHBondContact N-O 2.83Å; A890-C930 PolarHBondContact O-N 3.28Å; A890-L932 HydrophobicContact CB-CD1 3.56Å; A890-L932 HydrophobicContact CB-CG 4.24Å
891	T	93.6	Very high	92.8	Very high	17 Å²	17	54.1 Å²	54.1	10%	0.104	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	120.7	168.5	-51	0	0	0	0	107.9	P872 R873 K889 E927 F928 N929	P872-T891 CarbonylContact C-O 3.59Å; P872-T891 VanDerWaalsContact CA-O 3.29Å; P872-T891 WeakPolarHBondContact CA-O 3.47Å; R873-T891 PolarHBondContact N-O 3.24Å; R873-T891 PolarHBondContact O-N 2.73Å; K889-T891 PolarHBondContact NZ-OG1 2.88Å; K889-T891 VanDerWaalsContact NZ-OG1 3.09Å; T891-E927 HydrophobicContact CG2-CG 3.8Å; T891-F928 WeakPolarHBondContact CA-O 3.22Å; T891-N929 PolarHBondContact OG1-OD1 2.9Å
892	A	93.9	Very high	92.9	Very high	5 Å²	5	52.5 Å²	52.5	4%	0.041	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	159.1	-176.5	0	0	0	0	0	111	M591 L870 P872 E927 F928	M591-A892 HydrophobicContact CE-CB 4.02Å; L870-A892 HydrophobicContact CD1-CB 4.44Å; P872-A892 HydrophobicContact CB-CB 4.14Å; A892-E927 CarbonylContact O-C 3.58Å; A892-E927 WeakPolarHBondContact O-CA 3.34Å; A892-F928 HydrophobicContact CB-CD1 4.29Å; A892-F928 HydrophobicContact CB-CE1 3.7Å; A892-F928 HydrophobicContact CB-CZ 3.84Å; A892-F928 PolarHBondContact N-O 2.95Å; A892-F928 VanDerWaalsContact O-CD1 3.3Å; A892-F928 WeakPolarHBondContact O-CD1 3.37Å; A892-F928 PolarHBondContact O-N 3.11Å
893	V	95.1	Very high	92.9	Very high	51 Å²	51	44.8 Å²	44.8	31%	0.309	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	135.1	166.4	-176.2	0	0	0	0	107.9	N895 G925 E926 E927	V893-N895 VanDerWaalsContact CG1-OD1 3.3Å; V893-N895 WeakPolarHBondContact CG1-OD1 3.48Å; V893-N895 PolarHBondContact O-N 3.15Å; V893-G925 WeakPolarHBondContact CG1-O 3.46Å; V893-E926 WeakPolarHBondContact CA-O 3.27Å; V893-E927 HydrophobicContact CG2-CB 4.36Å
894	N	95.2	Very high	93	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.251	C	S	.	.			trans	-72.3	80.6	174.8	-178.7	11.4	0	0	0	110.6	T896 F898 V922 A923 G925 E926 F928	N894-T896 PolarHBondContact O-N 3.09Å; N894-T896 VanDerWaalsContact O-N 3.08Å; N894-T896 PolarHBondContact OD1-N 3.05Å; N894-T896 PolarHBondContact OD1-OG1 2.8Å; N894-F898 PolarHBondContact ND2-O 3.02Å; N894-V922 HydrophobicContact CB-CG1 3.88Å; N894-V922 PolarHBondContact ND2-O 3.45Å; N894-A923 WeakPolarHBondContact CB-O 3.44Å; N894-A923 PolarHBondContact ND2-O 3.15Å; N894-G925 PolarHBondContact O-N 3.37Å; N894-E926 PolarHBondContact N-O 2.99Å; N894-F928 HydrophobicContact CB-CD1 4.49Å; N894-F928 HydrophobicContact CB-CE1 4.3Å
895	N	92.6	Very high	93	Very high	131 Å²	131	42.7 Å²	42.7	70%	0.701	23%	0.228	S	C	*	.			trans	-79.1	24.1	179.4	-64.7	-28	0	0	0	113.2	V893	V893-N895 VanDerWaalsContact CG1-OD1 3.3Å; V893-N895 WeakPolarHBondContact CG1-OD1 3.48Å; V893-N895 PolarHBondContact O-N 3.15Å
896	T	90.8	Very high	93.1	Very high	30 Å²	30	39.1 Å²	39.1	18%	0.184	22%	0.216	C	C	.	.	S	Bend	trans	-116.1	163.5	-177.6	81.4	0	0	0	0	111.3	L868 L870 N894 F898 P924	L868-T896 HydrophobicContact CB-CG2 3.97Å; L868-T896 HydrophobicContact CD2-CG2 4.08Å; L868-T896 WeakPolarHBondContact CD2-OG1 3.28Å; L868-T896 HydrophobicContact CG-CG2 3.9Å; L870-T896 HydrophobicContact CD2-CG2 4.19Å; N894-T896 PolarHBondContact O-N 3.09Å; N894-T896 VanDerWaalsContact O-N 3.08Å; N894-T896 PolarHBondContact OD1-N 3.05Å; N894-T896 PolarHBondContact OD1-OG1 2.8Å; T896-F898 PolarHBondContact O-N 2.87Å; T896-F898 PolarHBondContact OG1-N 2.89Å; T896-P924 WeakPolarHBondContact O-CB 3.45Å
897	E	88.2	Confident	93	Very high	157 Å²	157	39.2 Å²	39.2	73%	0.734	22%	0.217	S	C	*	.	S	Bend	trans	-75	-10.7	175	65.4	-160.8	143.1	0	0	113.6
898	F	89	Confident	93	Very high	49 Å²	49	37.2 Å²	37.2	22%	0.215	21%	0.209	C	C	.	.	S	Bend	trans	-83.6	124.7	179.9	-61.7	-79.6	0	0	0	111.6	L845 V865 L868 N894 T896 I900	L845-F898 HydrophobicContact CD2-CD1 3.94Å; L845-F898 HydrophobicContact CD2-CE1 4.42Å; V865-F898 HydrophobicContact CG1-CD1 4.27Å; V865-F898 HydrophobicContact CG1-CE1 4.09Å; L868-F898 HydrophobicContact CD1-CD2 4.21Å; L868-F898 HydrophobicContact CD2-CB 4.41Å; L868-F898 HydrophobicContact CG-CD2 4.27Å; N894-F898 PolarHBondContact ND2-O 3.02Å; T896-F898 PolarHBondContact O-N 2.87Å; T896-F898 PolarHBondContact OG1-N 2.89Å; F898-I900 PolarHBondContact O-N 3.3Å
899	S	91.6	Very high	92.9	Very high	29 Å²	29	37.1 Å²	37.1	20%	0.203	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-66.8	121.1	157.4	-63	0	0	0	0	109.4
900	I	92.9	Very high	92.5	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.01	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-78.1	128.7	171.2	-57.3	176.2	0	0	0	106.9	Y580 L868 F898 I919 A921 V922 F928	Y580-I900 HydrophobicContact CE1-CG2 4.05Å; Y580-I900 HydrophobicContact CE2-CG2 4.47Å; Y580-I900 WeakPolarHBondContact OH-CG2 3.32Å; L868-I900 HydrophobicContact CD2-CD1 4.04Å; L868-I900 HydrophobicContact CD2-CG1 4Å; F898-I900 PolarHBondContact O-N 3.3Å; I900-I919 HydrophobicContact CD1-CD1 4.24Å; I900-I919 HydrophobicContact CG2-CD1 3.81Å; I900-I919 HydrophobicContact CG2-CG1 4.05Å; I900-I919 HydrophobicContact CG2-CG2 3.94Å; I900-A921 CarbonylContact O-C 3.44Å; I900-A921 VanDerWaalsContact O-CA 3.29Å; I900-A921 WeakPolarHBondContact O-CA 3.25Å; I900-V922 HydrophobicContact CB-CB 4.04Å; I900-V922 HydrophobicContact CB-CG2 4.45Å; I900-V922 HydrophobicContact CD1-CB 4.34Å; I900-V922 PolarHBondContact N-O 2.98Å; I900-V922 PolarHBondContact O-N 2.98Å; I900-F928 HydrophobicContact CD1-CE1 4.3Å; I900-F928 HydrophobicContact CD1-CZ 4.17Å
901	L	93.5	Very high	92.2	Very high	23 Å²	23	43.6 Å²	43.6	12%	0.12	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-91.3	153.7	172.9	-62.5	-179.7	0	0	0	110.7	W576 P578 Y580 Y595 T616 I843 G903	W576-L901 HydrophobicContact CH2-CD1 3.46Å; W576-L901 VanDerWaalsContact CH2-CD1 3.46Å; W576-L901 HydrophobicContact CZ2-CD1 4.05Å; W576-L901 HydrophobicContact CZ3-CD1 4.26Å; P578-L901 HydrophobicContact CB-CB 4.02Å; P578-L901 HydrophobicContact CB-CD1 4.37Å; P578-L901 HydrophobicContact CG-CB 3.88Å; P578-L901 HydrophobicContact CG-CD1 4.36Å; Y580-L901 WeakPolarHBondContact CE2-O 3.36Å; Y580-L901 PolarHBondContact OH-N 3.26Å; Y580-L901 PolarHBondContact OH-O 3.36Å; Y595-L901 WeakPolarHBondContact OH-CD1 3.41Å; Y595-L901 WeakPolarHBondContact OH-CG 3.3Å; T616-L901 HydrophobicContact CG2-CD1 3.46Å; T616-L901 VanDerWaalsContact CG2-CD1 3.46Å; T616-L901 HydrophobicContact CG2-CD2 4.01Å; T616-L901 HydrophobicContact CG2-CG 4.38Å; I843-L901 HydrophobicContact CD1-CD2 3.7Å; L901-G903 PolarHBondContact O-N 2.97Å
902	A	94.7	Very high	92	Very high	62 Å²	62	47.3 Å²	47.3	51%	0.512	27%	0.27	S	S	.	.	S	Bend	trans	-61.5	133.4	172.2	0	0	0	0	0	110.6	P578 I919 A921	P578-A902 WeakPolarHBondContact CG-O 3.46Å; A902-I919 CarbonylContact C-O 3.59Å; A902-I919 VanDerWaalsContact CA-O 3.22Å; A902-I919 WeakPolarHBondContact CA-O 3.41Å; A902-A921 HydrophobicContact CB-CB 4.48Å
903	G	94.4	Very high	91.9	Very high	9 Å²	9	51.9 Å²	51.9	9%	0.093	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.1	168.1	179.1	0	0	0	0	0	116.5	L901 T905 I919	L901-G903 PolarHBondContact O-N 2.97Å; G903-T905 PolarHBondContact O-OG1 3.03Å; G903-I919 PolarHBondContact N-O 3.35Å; G903-I919 PolarHBondContact O-N 2.79Å
904	P	95.7	Very high	91.5	Very high	79 Å²	79	53.4 Å²	53.4	51%	0.513	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	143.2	-178.3	27.5	-36.4	0	0	0	112.4	Y580	Y580-P904 PolarHBondContact N-O 3.2Å
905	T	95.1	Very high	91.2	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.006	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	124	-171.3	-62.4	0	0	0	0	111.4	Y580 I582 G903 I907 K916 S917 I919	Y580-T905 CarbonylContact O-C 3.56Å; Y580-T905 WeakPolarHBondContact O-CA 3.34Å; I582-T905 HydrophobicContact CB-CG2 4.15Å; I582-T905 HydrophobicContact CD1-CG2 3.62Å; I582-T905 HydrophobicContact CG1-CG2 3.59Å; G903-T905 PolarHBondContact O-OG1 3.03Å; T905-I907 HydrophobicContact CG2-CG1 4.3Å; T905-K916 CarbonylContact O-C 3.56Å; T905-K916 WeakPolarHBondContact O-CA 3.32Å; T905-S917 WeakPolarHBondContact CA-O 3.32Å; T905-S917 WeakPolarHBondContact CB-O 3.29Å; T905-S917 PolarHBondContact N-O 3.06Å; T905-S917 PolarHBondContact O-N 2.96Å; T905-S917 VanDerWaalsContact O-O 3.13Å; T905-I919 PolarHBondContact OG1-N 2.76Å
906	N	95.6	Very high	91.2	Very high	40 Å²	40	55.9 Å²	55.9	21%	0.214	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	139.9	165.9	-55.2	-54.2	0	0	0	109.5	Y580 D581 I582 Y908 F913	Y580-N906 PolarHBondContact O-N 2.96Å; D581-N906 PolarHBondContact OD1-ND2 3.17Å; I582-N906 PolarHBondContact N-O 2.84Å; N906-Y908 HydrophobicContact CB-CE2 3.72Å; N906-F913 HydrophobicContact CB-CD2 4.46Å; N906-F913 HydrophobicContact CB-CE2 4.12Å
907	I	93.8	Very high	91.2	Very high	1 Å²	1	56 Å²	56	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	132.9	-179.4	-55.5	152.6	0	0	0	109.9	I582 I584 T905 I914 G915 H931 L932	I582-I907 WeakPolarHBondContact O-CA 3.45Å; I584-I907 HydrophobicContact CD1-CG2 3.76Å; T905-I907 HydrophobicContact CG2-CG1 4.3Å; I907-I914 HydrophobicContact CB-CG1 4.1Å; I907-I914 HydrophobicContact CG2-CD1 3.79Å; I907-I914 HydrophobicContact CG2-CG1 3.71Å; I907-I914 PolarHBondContact O-N 3.33Å; I907-G915 PolarHBondContact N-O 3.48Å; I907-H931 VanDerWaalsContact CD1-O 3.31Å; I907-H931 WeakPolarHBondContact CD1-O 3.29Å; I907-L932 HydrophobicContact CG2-CB 4.4Å; I907-L932 HydrophobicContact CG2-CD2 4.11Å
908	Y	92.7	Very high	91.4	Very high	43 Å²	43	55.4 Å²	55.4	17%	0.169	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	135.2	176.2	-54.1	-104	0	0	0	110.3	D581 I582 R583 I584 N906 T912 F913	D581-Y908 HydrophobicContact CB-CD2 4.48Å; D581-Y908 HydrophobicContact CB-CE2 3.98Å; D581-Y908 WeakPolarHBondContact OD2-CE2 3.42Å; I582-Y908 PolarHBondContact O-N 3.49Å; R583-Y908 WeakPolarHBondContact CA-O 3.17Å; R583-Y908 HydrophobicContact CG-CD2 4.14Å; R583-Y908 HydrophobicContact CG-CG 4.43Å; I584-Y908 PolarHBondContact N-O 2.96Å; N906-Y908 HydrophobicContact CB-CE2 3.72Å; Y908-T912 CarbonylContact C-O 3.52Å; Y908-T912 WeakPolarHBondContact CA-O 3.5Å; Y908-F913 HydrophobicContact CD1-CB 3.86Å; Y908-F913 HydrophobicContact CE1-CB 3.81Å; Y908-F913 HydrophobicContact CE1-CD2 4.16Å; Y908-F913 HydrophobicContact CE1-CG 4.48Å
909	A	87.8	Confident	91.6	Very high	20 Å²	20	53.2 Å²	53.2	17%	0.165	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	126.8	167.6	0	0	0	0	0	109.9	I584 N911 T912 I914	I584-A909 HydrophobicContact CB-CB 4.48Å; A909-N911 PolarHBondContact O-N 3.39Å; A909-N911 VanDerWaalsContact O-N 3.17Å; A909-T912 PolarHBondContact N-O 2.89Å; A909-T912 WeakPolarHBondContact O-CB 3.27Å; A909-T912 PolarHBondContact O-N 2.61Å; A909-I914 HydrophobicContact CB-CD1 3.96Å; A909-I914 HydrophobicContact CB-CG2 4.22Å
910	D	84.4	Confident	91.7	Very high	67 Å²	67	57.5 Å²	57.5	36%	0.358	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.6	45	-174.8	-57.8	-43.2	0	0	0	112.4	I584 F585 N586 T912	I584-D910 PolarHBondContact O-N 3.24Å; F585-D910 WeakPolarHBondContact CA-OD1 3.29Å; N586-D910 WeakPolarHBondContact CB-OD2 3.22Å; N586-D910 PolarHBondContact N-OD1 2.75Å; N586-D910 PolarHBondContact ND2-OD2 3.04Å; D910-T912 PolarHBondContact O-N 3.25Å
911	N	84.9	Confident	91.7	Very high	100 Å²	100	60.1 Å²	60.1	54%	0.535	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	-2.5	-173.9	-59.6	-54.5	0	0	0	117.7	A909	A909-N911 PolarHBondContact O-N 3.39Å; A909-N911 VanDerWaalsContact O-N 3.17Å
912	T	89.5	Confident	91.8	Very high	94 Å²	94	59.1 Å²	59.1	58%	0.577	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.6	129.7	172.8	-54.7	0	0	0	0	110.2	Y908 A909 D910	Y908-T912 CarbonylContact C-O 3.52Å; Y908-T912 WeakPolarHBondContact CA-O 3.5Å; A909-T912 PolarHBondContact N-O 2.89Å; A909-T912 WeakPolarHBondContact O-CB 3.27Å; A909-T912 PolarHBondContact O-N 2.61Å; D910-T912 PolarHBondContact O-N 3.25Å
913	F	91.5	Very high	91.7	Very high	102 Å²	102	58.4 Å²	58.4	45%	0.447	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	131.9	174.4	174.4	-96.6	0	0	0	110.5	N906 Y908 G915 K916	N906-F913 HydrophobicContact CB-CD2 4.46Å; N906-F913 HydrophobicContact CB-CE2 4.12Å; Y908-F913 HydrophobicContact CD1-CB 3.86Å; Y908-F913 HydrophobicContact CE1-CB 3.81Å; Y908-F913 HydrophobicContact CE1-CD2 4.16Å; Y908-F913 HydrophobicContact CE1-CG 4.48Å; F913-G915 WeakPolarHBondContact CE2-O 3.48Å; F913-G915 VanDerWaalsContact CZ-C 3.48Å; F913-G915 WeakPolarHBondContact CZ-O 3.41Å; F913-K916 HydrophobicContact CZ-CG 4.18Å
914	I	87.1	Confident	91.6	Very high	82 Å²	82	61.1 Å²	61.1	42%	0.421	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	-12	-178.2	61.5	169.5	0	0	0	114.5	I584 I907 A909 L932	I584-I914 HydrophobicContact CD1-CD1 4.43Å; I907-I914 HydrophobicContact CB-CG1 4.1Å; I907-I914 HydrophobicContact CG2-CD1 3.79Å; I907-I914 HydrophobicContact CG2-CG1 3.71Å; I907-I914 PolarHBondContact O-N 3.33Å; A909-I914 HydrophobicContact CB-CD1 3.96Å; A909-I914 HydrophobicContact CB-CG2 4.22Å; I914-L932 WeakPolarHBondContact CD1-O 3.42Å
915	G	89.3	Confident	91.6	Very high	17 Å²	17	60 Å²	60	18%	0.175	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163	-178.1	175.1	0	0	0	0	0	114.8	I907 F913	I907-G915 PolarHBondContact N-O 3.48Å; F913-G915 WeakPolarHBondContact CE2-O 3.48Å; F913-G915 VanDerWaalsContact CZ-C 3.48Å; F913-G915 WeakPolarHBondContact CZ-O 3.41Å
916	K	92.2	Very high	91.5	Very high	167 Å²	167	63.1 Å²	63.1	73%	0.726	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.9	153.3	169.6	-64.3	-177.8	179.8	178.4	0	110.1	T905 F913	T905-K916 CarbonylContact O-C 3.56Å; T905-K916 WeakPolarHBondContact O-CA 3.32Å; F913-K916 HydrophobicContact CZ-CG 4.18Å
917	S	91.8	Very high	91.5	Very high	31 Å²	31	65.9 Å²	65.9	22%	0.217	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	-172.2	169.1	-166.8	0	0	0	0	108.4	T905 H931	T905-S917 WeakPolarHBondContact CA-O 3.32Å; T905-S917 WeakPolarHBondContact CB-O 3.29Å; T905-S917 PolarHBondContact N-O 3.06Å; T905-S917 PolarHBondContact O-N 2.96Å; T905-S917 VanDerWaalsContact O-O 3.13Å; S917-H931 WeakPolarHBondContact CB-O 3.48Å; S917-H931 PolarHBondContact OG-O 3.44Å
918	E	91.9	Very high	91.5	Very high	146 Å²	146	65.9 Å²	65.9	68%	0.682	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.8	151.1	168.8	-60.4	-166.4	151.6	0	0	109.6
919	I	92.1	Very high	91.5	Very high	3 Å²	3	66.4 Å²	66.4	2%	0.015	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	139.7	164.7	-163.4	160.9	0	0	0	107.8	Y580 I593 I900 A902 G903 T905 F928	Y580-I919 HydrophobicContact CD2-CG2 3.37Å; Y580-I919 HydrophobicContact CE2-CG2 3.28Å; Y580-I919 HydrophobicContact CG-CG2 4.12Å; I593-I919 HydrophobicContact CD1-CD1 4.1Å; I900-I919 HydrophobicContact CD1-CD1 4.24Å; I900-I919 HydrophobicContact CG2-CD1 3.81Å; I900-I919 HydrophobicContact CG2-CG1 4.05Å; I900-I919 HydrophobicContact CG2-CG2 3.94Å; A902-I919 CarbonylContact C-O 3.59Å; A902-I919 VanDerWaalsContact CA-O 3.22Å; A902-I919 WeakPolarHBondContact CA-O 3.41Å; G903-I919 PolarHBondContact N-O 3.35Å; G903-I919 PolarHBondContact O-N 2.79Å; T905-I919 PolarHBondContact OG1-N 2.76Å; I919-F928 HydrophobicContact CD1-CD2 4.08Å; I919-F928 HydrophobicContact CD1-CE2 3.62Å; I919-F928 HydrophobicContact CD1-CZ 4.4Å; I919-F928 HydrophobicContact CG1-CD2 4.39Å; I919-F928 HydrophobicContact CG1-CE2 4.4Å
920	R	93.9	Very high	91.6	Very high	119 Å²	119	65.5 Å²	65.5	45%	0.449	36%	0.36	S	S	.	.			trans	-76.5	172.1	172.5	68.6	167.9	-158.3	-144.4	-2.2	110.8	V922 E926 E927	R920-V922 HydrophobicContact CG-CG2 3.96Å; R920-E926 IonicContact CZ-OE1 3.99Å; R920-E926 IonicContact NE-OE1 2.69Å; R920-E926 IonicContact NH2-OE1 3.61Å; R920-E926 PolarHBondContact NH2-OE1 3.36Å; R920-E927 PolarHBondContact NH2-O 2.69Å
921	A	93.7	Very high	91.8	Very high	57 Å²	57	67.3 Å²	67.3	47%	0.471	37%	0.366	S	S	.	.			trans	-64.7	136.5	164.5	0	0	0	0	0	110.5	I900 A902	I900-A921 CarbonylContact O-C 3.44Å; I900-A921 VanDerWaalsContact O-CA 3.29Å; I900-A921 WeakPolarHBondContact O-CA 3.25Å; A902-A921 HydrophobicContact CB-CB 4.48Å
922	V	94.4	Very high	91.9	Very high	2 Å²	2	62.7 Å²	62.7	1%	0.012	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-142.5	119.3	-178.4	-171	0	0	0	0	109.8	N894 I900 R920 E926 F928	N894-V922 HydrophobicContact CB-CG1 3.88Å; N894-V922 PolarHBondContact ND2-O 3.45Å; I900-V922 HydrophobicContact CB-CB 4.04Å; I900-V922 HydrophobicContact CB-CG2 4.45Å; I900-V922 HydrophobicContact CD1-CB 4.34Å; I900-V922 PolarHBondContact N-O 2.98Å; I900-V922 PolarHBondContact O-N 2.98Å; R920-V922 HydrophobicContact CG-CG2 3.96Å; V922-E926 WeakPolarHBondContact CA-OE2 3.37Å; V922-E926 HydrophobicContact CG1-CB 3.75Å; V922-E926 HydrophobicContact CG1-CG 4.18Å; V922-F928 HydrophobicContact CB-CB 4.34Å; V922-F928 HydrophobicContact CB-CG 4.47Å; V922-F928 HydrophobicContact CG1-CB 3.82Å; V922-F928 HydrophobicContact CG1-CD1 3.73Å; V922-F928 HydrophobicContact CG1-CG 4Å; V922-F928 HydrophobicContact CG2-CB 3.49Å; V922-F928 VanDerWaalsContact CG2-CB 3.49Å; V922-F928 HydrophobicContact CG2-CD1 4.24Å; V922-F928 HydrophobicContact CG2-CD2 4.18Å; V922-F928 HydrophobicContact CG2-CG 3.74Å
923	A	93.2	Very high	91.7	Very high	47 Å²	47	59.4 Å²	59.4	39%	0.388	33%	0.326	S	S	.	.			trans	-73.2	157.4	176.2	0	0	0	0	0	112.2	N894 G925 E926	N894-A923 WeakPolarHBondContact CB-O 3.44Å; N894-A923 PolarHBondContact ND2-O 3.15Å; A923-G925 PolarHBondContact O-N 3.01Å; A923-E926 HydrophobicContact CB-CB 4.42Å; A923-E926 PolarHBondContact N-OE2 2.89Å; A923-E926 VanDerWaalsContact O-CB 3.27Å; A923-E926 WeakPolarHBondContact O-CB 3.42Å; A923-E926 PolarHBondContact O-N 2.86Å; A923-E926 VanDerWaalsContact O-N 3.14Å
924	P	93.3	Very high	91.5	Very high	65 Å²	65	57.3 Å²	57.3	42%	0.422	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	129.4	166.7	-29.6	38.4	0	0	0	111.8	T896	T896-P924 WeakPolarHBondContact O-CB 3.45Å
925	G	94.1	Very high	91.4	Very high	57 Å²	57	55.2 Å²	55.2	59%	0.588	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.6	-0.6	-177.4	0	0	0	0	0	116.3	V893 N894 A923	V893-G925 WeakPolarHBondContact CG1-O 3.46Å; N894-G925 PolarHBondContact O-N 3.37Å; A923-G925 PolarHBondContact O-N 3.01Å
926	E	94.8	Very high	91.3	Very high	66 Å²	66	59 Å²	59	31%	0.308	33%	0.332	S	S	.	.			trans	-87.1	141	-177.6	-169.3	-164.6	139.9	0	0	113	V893 N894 R920 V922 A923	V893-E926 WeakPolarHBondContact CA-O 3.27Å; N894-E926 PolarHBondContact N-O 2.99Å; R920-E926 IonicContact CZ-OE1 3.99Å; R920-E926 IonicContact NE-OE1 2.69Å; R920-E926 IonicContact NH2-OE1 3.61Å; R920-E926 PolarHBondContact NH2-OE1 3.36Å; V922-E926 WeakPolarHBondContact CA-OE2 3.37Å; V922-E926 HydrophobicContact CG1-CB 3.75Å; V922-E926 HydrophobicContact CG1-CG 4.18Å; A923-E926 HydrophobicContact CB-CB 4.42Å; A923-E926 PolarHBondContact N-OE2 2.89Å; A923-E926 VanDerWaalsContact O-CB 3.27Å; A923-E926 WeakPolarHBondContact O-CB 3.42Å; A923-E926 PolarHBondContact O-N 2.86Å; A923-E926 VanDerWaalsContact O-N 3.14Å
927	E	95	Very high	91.3	Very high	97 Å²	97	51.5 Å²	51.5	45%	0.453	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	123.1	170.3	-177.7	179.2	128.6	0	0	110.4	T891 A892 V893 R920 K1010	T891-E927 HydrophobicContact CG2-CG 3.8Å; A892-E927 CarbonylContact O-C 3.58Å; A892-E927 WeakPolarHBondContact O-CA 3.34Å; V893-E927 HydrophobicContact CG2-CB 4.36Å; R920-E927 PolarHBondContact NH2-O 2.69Å; E927-K1010 IonicContact OE1-NZ 2.81Å; E927-K1010 PolarHBondContact OE1-NZ 3.25Å
928	F	94.4	Very high	91.4	Very high	1 Å²	1	50.1 Å²	50.1	0%	0.004	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	161.8	178.4	74.4	-80.8	0	0	0	112.4	M591 I593 L870 T891 A892 N894 I900 I919 V922	M591-F928 HydrophobicContact CE-CZ 4.39Å; I593-F928 HydrophobicContact CD1-CE2 4.27Å; I593-F928 HydrophobicContact CD1-CZ 3.95Å; L870-F928 HydrophobicContact CD1-CE1 4.08Å; L870-F928 HydrophobicContact CD1-CZ 3.79Å; T891-F928 WeakPolarHBondContact CA-O 3.22Å; A892-F928 HydrophobicContact CB-CD1 4.29Å; A892-F928 HydrophobicContact CB-CE1 3.7Å; A892-F928 HydrophobicContact CB-CZ 3.84Å; A892-F928 PolarHBondContact N-O 2.95Å; A892-F928 VanDerWaalsContact O-CD1 3.3Å; A892-F928 WeakPolarHBondContact O-CD1 3.37Å; A892-F928 PolarHBondContact O-N 3.11Å; N894-F928 HydrophobicContact CB-CD1 4.49Å; N894-F928 HydrophobicContact CB-CE1 4.3Å; I900-F928 HydrophobicContact CD1-CE1 4.3Å; I900-F928 HydrophobicContact CD1-CZ 4.17Å; I919-F928 HydrophobicContact CD1-CD2 4.08Å; I919-F928 HydrophobicContact CD1-CE2 3.62Å; I919-F928 HydrophobicContact CD1-CZ 4.4Å; I919-F928 HydrophobicContact CG1-CD2 4.39Å; I919-F928 HydrophobicContact CG1-CE2 4.4Å; V922-F928 HydrophobicContact CB-CB 4.34Å; V922-F928 HydrophobicContact CB-CG 4.47Å; V922-F928 HydrophobicContact CG1-CB 3.82Å; V922-F928 HydrophobicContact CG1-CD1 3.73Å; V922-F928 HydrophobicContact CG1-CG 4Å; V922-F928 HydrophobicContact CG2-CB 3.49Å; V922-F928 VanDerWaalsContact CG2-CB 3.49Å; V922-F928 HydrophobicContact CG2-CD1 4.24Å; V922-F928 HydrophobicContact CG2-CD2 4.18Å; V922-F928 HydrophobicContact CG2-CG 3.74Å
929	N	92.1	Very high	91.7	Very high	55 Å²	55	47.8 Å²	47.8	29%	0.294	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	145.5	177.2	-54.4	-71.1	0	0	0	109.3	K889 A890 T891	K889-N929 WeakPolarHBondContact CE-OD1 3.45Å; K889-N929 PolarHBondContact NZ-OD1 2.98Å; A890-N929 CarbonylContact O-C 3.59Å; A890-N929 VanDerWaalsContact O-CA 3.3Å; A890-N929 WeakPolarHBondContact O-CA 3.3Å; T891-N929 PolarHBondContact OG1-OD1 2.9Å
930	C	89	Confident	92	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.007	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	139.4	167.5	-172.6	0	0	0	0	109.7	I582 K889 A890 L932	I582-C930 HydrophobicContact CD1-CB 4.4Å; I582-C930 VanDerWaalsContact CD1-SG 3.59Å; K889-C930 WeakPolarHBondContact CA-O 3.32Å; A890-C930 PolarHBondContact N-O 2.83Å; A890-C930 PolarHBondContact O-N 3.28Å; C930-L932 HydrophobicContact CB-CD2 4.14Å
931	H	88.5	Confident	92.1	Very high	105 Å²	105	46.7 Å²	46.7	49%	0.486	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	113.1	-178.9	-64.3	-85.2	0	0	0	109.1	I907 S917	I907-H931 VanDerWaalsContact CD1-O 3.31Å; I907-H931 WeakPolarHBondContact CD1-O 3.29Å; S917-H931 WeakPolarHBondContact CB-O 3.48Å; S917-H931 PolarHBondContact OG-O 3.44Å
932	L	87.3	Confident	92.2	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	15	-163.1	-56.4	178.7	0	0	0	113.9	I582 I584 Y874 L888 A890 I907 I914 C930	I582-L932 HydrophobicContact CG2-CD2 4.36Å; I584-L932 HydrophobicContact CD1-CB 4.11Å; I584-L932 HydrophobicContact CD1-CD1 3.65Å; I584-L932 HydrophobicContact CD1-CD2 4.13Å; I584-L932 HydrophobicContact CD1-CG 4.16Å; I584-L932 HydrophobicContact CG1-CD1 4.06Å; Y874-L932 HydrophobicContact CD1-CD1 4.02Å; Y874-L932 HydrophobicContact CE1-CD1 3.69Å; L888-L932 HydrophobicContact CB-CB 4.11Å; L888-L932 HydrophobicContact CD2-CB 4.03Å; L888-L932 HydrophobicContact CD2-CD1 3.99Å; L888-L932 HydrophobicContact CG-CB 4Å; L888-L932 HydrophobicContact CG-CD1 4Å; L888-L932 PolarHBondContact O-N 3.07Å; A890-L932 HydrophobicContact CB-CD1 3.56Å; A890-L932 HydrophobicContact CB-CG 4.24Å; I907-L932 HydrophobicContact CG2-CB 4.4Å; I907-L932 HydrophobicContact CG2-CD2 4.11Å; I914-L932 WeakPolarHBondContact CD1-O 3.42Å; C930-L932 HydrophobicContact CB-CD2 4.14Å
933	G	85.3	Confident	92.2	Very high	26 Å²	26	50.9 Å²	50.9	27%	0.268	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	101	176.1	-179.1	0	0	0	0	0	114.4	Y887 L888	Y887-G933 VanDerWaalsContact CA-O 3.31Å; Y887-G933 WeakPolarHBondContact CA-O 3.29Å; L888-G933 PolarHBondContact N-O 3.44Å
934	A	88.1	Confident	92.1	Very high	57 Å²	57	53.8 Å²	53.8	47%	0.471	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	142.6	179.2	0	0	0	0	0	111.7	Y885 A886 Y887	Y885-A934 HydrophobicContact CD1-CB 4.37Å; Y885-A934 HydrophobicContact CG-CB 4.24Å; A886-A934 CarbonylContact O-C 3.51Å; A886-A934 WeakPolarHBondContact O-CA 3.15Å; Y887-A934 HydrophobicContact CD1-CB 4.14Å; Y887-A934 HydrophobicContact CE1-CB 3.91Å
935	E	85.9	Confident	91.9	Very high	39 Å²	39	54.6 Å²	54.6	18%	0.182	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	132.6	-179.7	176.7	60.8	-96.1	0	0	110.8	Y876 A886 G937 I938 F973	Y876-E935 HydrophobicContact CD1-CB 3.94Å; Y876-E935 HydrophobicContact CD1-CG 4.04Å; Y876-E935 HydrophobicContact CE1-CB 3.61Å; Y876-E935 HydrophobicContact CE1-CG 3.41Å; Y876-E935 VanDerWaalsContact CE1-CG 3.41Å; Y876-E935 WeakPolarHBondContact CE1-OE2 3.44Å; Y876-E935 PolarHBondContact OH-OE2 3.12Å; A886-E935 HydrophobicContact CB-CB 4.5Å; A886-E935 PolarHBondContact O-N 3.49Å; E935-G937 PolarHBondContact OE1-N 3Å; E935-I938 HydrophobicContact CG-CD1 4.46Å; E935-I938 HydrophobicContact CG-CG1 4.22Å; E935-F973 VanDerWaalsContact CD-CZ 3.42Å; E935-F973 HydrophobicContact CG-CE2 4.11Å; E935-F973 HydrophobicContact CG-CZ 4.13Å; E935-F973 WeakPolarHBondContact OE2-CZ 3.46Å
936	N	86.6	Confident	91.8	Very high	97 Å²	97	57.6 Å²	57.6	52%	0.519	30%	0.298	S	S	.	.	S	Bend	trans	-94	-20.4	177.8	-91.4	-64.6	0	0	0	113.4	I938 K939	N936-I938 PolarHBondContact O-N 3.12Å; N936-K939 WeakPolarHBondContact O-CE 3.25Å; N936-K939 PolarHBondContact O-NZ 3.28Å; N936-K939 PolarHBondContact OD1-NZ 2.82Å
937	G	91	Very high	91.6	Very high	8 Å²	8	61.8 Å²	61.8	8%	0.082	32%	0.315	C	S	.	.	S	Bend	trans	-75.9	4.2	178.6	0	0	0	0	0	115.9	E935 T972 F973	E935-G937 PolarHBondContact OE1-N 3Å; G937-T972 VanDerWaalsContact C-OG1 3.32Å; G937-T972 WeakPolarHBondContact CA-OG1 3.41Å; G937-T972 PolarHBondContact O-N 3.11Å; G937-T972 PolarHBondContact O-OG1 2.82Å; G937-F973 WeakPolarHBondContact O-CD2 3.46Å
938	I	95.5	Very high	91.2	Very high	3 Å²	3	61.7 Å²	61.7	2%	0.015	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	122.4	170.5	-55.2	176	0	0	0	107	Y876 A886 E935 N936 I940 R970 F973 V977 L979	Y876-I938 HydrophobicContact CD1-CD1 3.74Å; Y876-I938 HydrophobicContact CD2-CD1 3.85Å; Y876-I938 HydrophobicContact CE1-CD1 4.25Å; Y876-I938 HydrophobicContact CE2-CD1 4.32Å; Y876-I938 HydrophobicContact CG-CD1 3.49Å; Y876-I938 VanDerWaalsContact CG-CD1 3.49Å; A886-I938 HydrophobicContact CB-CB 3.82Å; A886-I938 HydrophobicContact CB-CD1 3.81Å; A886-I938 HydrophobicContact CB-CG1 4.34Å; A886-I938 HydrophobicContact CB-CG2 3.99Å; E935-I938 HydrophobicContact CG-CD1 4.46Å; E935-I938 HydrophobicContact CG-CG1 4.22Å; N936-I938 PolarHBondContact O-N 3.12Å; I938-I940 HydrophobicContact CG2-CG1 4.41Å; I938-R970 CarbonylContact C-O 3.02Å; I938-R970 WeakPolarHBondContact CA-O 3.32Å; I938-F973 HydrophobicContact CG1-CE2 4.29Å; I938-V977 HydrophobicContact CD1-CG1 3.78Å; I938-L979 HydrophobicContact CD1-CD1 4.23Å; I938-L979 HydrophobicContact CG2-CD2 3.94Å
939	K	97.3	Very high	90.7	Very high	96 Å²	96	68.3 Å²	68.3	42%	0.417	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	141.9	177.3	-61	-50.1	-172	-161.6	0	110.5	N936 R970 T972	N936-K939 WeakPolarHBondContact O-CE 3.25Å; N936-K939 PolarHBondContact O-NZ 3.28Å; N936-K939 PolarHBondContact OD1-NZ 2.82Å; K939-R970 HydrophobicContact CB-CB 4.41Å; K939-R970 PolarHBondContact N-O 2.83Å; K939-R970 PolarHBondContact O-N 2.7Å; K939-T972 HydrophobicContact CG-CG2 3.99Å
940	I	97.9	Very high	89.8	Confident	19 Å²	19	69 Å²	69	10%	0.097	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	133.3	-172.2	-51.7	-178.5	0	0	0	108.2	T878 P880 L884 A886 I938 I967 E968 V969	T878-I940 HydrophobicContact CG2-CD1 3.7Å; T878-I940 WeakPolarHBondContact OG1-CD1 3.47Å; P880-I940 HydrophobicContact CB-CG2 3.98Å; P880-I940 HydrophobicContact CG-CG2 3.99Å; L884-I940 WeakPolarHBondContact O-CB 3.49Å; A886-I940 HydrophobicContact CB-CD1 4.31Å; I938-I940 HydrophobicContact CG2-CG1 4.41Å; I940-I967 HydrophobicContact CG2-CG2 4.31Å; I940-E968 WeakPolarHBondContact CA-O 3.32Å; I940-V969 HydrophobicContact CG1-CG1 4.34Å; I940-V969 HydrophobicContact CG2-CG1 4.31Å
941	L	96.7	Very high	88.4	Confident	81 Å²	81	72.3 Å²	72.3	42%	0.424	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	103.6	173.6	172.7	65.7	0	0	0	108.5	R943 E968	L941-R943 HydrophobicContact CD2-CG 4.33Å; L941-R943 HydrophobicContact CG-CG 4.08Å; L941-E968 HydrophobicContact CB-CB 4.24Å; L941-E968 PolarHBondContact N-O 3.1Å; L941-E968 PolarHBondContact O-N 3.31Å
942	Y	96.6	Very high	86.9	Confident	58 Å²	58	71.1 Å²	71.1	23%	0.227	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	110.3	170.2	-168.2	-103.2	0	0	0	107.9	P880 K881 Q965 I967	P880-Y942 HydrophobicContact CB-CD2 3.57Å; P880-Y942 HydrophobicContact CB-CE2 4.3Å; P880-Y942 HydrophobicContact CB-CG 4.15Å; K881-Y942 HydrophobicContact CB-CE1 4.36Å; K881-Y942 HydrophobicContact CB-CE2 4.16Å; K881-Y942 HydrophobicContact CG-CE1 4.36Å; Y942-Q965 HydrophobicContact CD2-CG 4.31Å; Y942-Q965 VanDerWaalsContact CE2-CD 3.43Å; Y942-Q965 HydrophobicContact CE2-CG 3.5Å; Y942-Q965 PolarHBondContact OH-OE1 3Å; Y942-I967 HydrophobicContact CD2-CD1 4.21Å; Y942-I967 HydrophobicContact CD2-CG1 3.91Å; Y942-I967 HydrophobicContact CE2-CD1 4.16Å; Y942-I967 HydrophobicContact CE2-CG1 4.15Å
943	R	93.9	Very high	85.3	Confident	89 Å²	89	72.9 Å²	72.9	34%	0.336	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-81	161.5	-174.7	-61.2	-177.7	176.7	-119.1	1	110.6	L941 Q965 L966 E968	L941-R943 HydrophobicContact CD2-CG 4.33Å; L941-R943 HydrophobicContact CG-CG 4.08Å; R943-Q965 PolarHBondContact O-NE2 3.08Å; R943-L966 HydrophobicContact CB-CB 4.09Å; R943-L966 HydrophobicContact CG-CB 4.28Å; R943-L966 PolarHBondContact N-O 3.19Å; R943-E968 IonicContact CZ-OE2 3Å; R943-E968 IonicContact NE-OE2 2.88Å; R943-E968 IonicContact NH2-OE2 3.24Å; R943-E968 PolarHBondContact NH2-OE2 3.19Å
944	P	90.2	Very high	83.8	Confident	107 Å²	107	78.8 Å²	78.8	70%	0.695	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-55.7	141.6	174.3	-26.8	35.9	0	0	0	112.7	F946	P944-F946 VanDerWaalsContact O-CD2 3.29Å; P944-F946 WeakPolarHBondContact O-CD2 3.33Å; P944-F946 WeakPolarHBondContact O-CE2 3.45Å; P944-F946 PolarHBondContact O-N 2.77Å
945	L	90.5	Very high	82.4	Confident	82 Å²	82	79.9 Å²	79.9	43%	0.429	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-70.6	117.2	-179.7	-179.2	64.7	0	0	0	110.7	F963 Q965	L945-F963 HydrophobicContact CD1-CB 4.37Å; L945-F963 HydrophobicContact CD2-CD1 4.04Å; L945-F963 HydrophobicContact CG-CD1 4.44Å; L945-Q965 HydrophobicContact CD1-CB 3.89Å
946	F	91.1	Very high	81.4	Confident	121 Å²	121	80.4 Å²	80.4	53%	0.531	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	127.7	173.8	-66	-92.1	0	0	0	109.7	P944 F963 K964	P944-F946 VanDerWaalsContact O-CD2 3.29Å; P944-F946 WeakPolarHBondContact O-CD2 3.33Å; P944-F946 WeakPolarHBondContact O-CE2 3.45Å; P944-F946 PolarHBondContact O-N 2.77Å; F946-F963 CarbonylContact O-C 3.54Å; F946-F963 WeakPolarHBondContact O-CA 3.15Å; F946-K964 HydrophobicContact CB-CB 4.39Å; F946-K964 PolarHBondContact N-O 3.49Å; F946-K964 PolarHBondContact O-N 3.45Å
947	K	89.8	Confident	80.9	Confident	153 Å²	153	83 Å²	83	67%	0.665	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.1	136.5	170.5	65.8	-178.7	-178.8	179.2	0	110.5	M961 T962 F963	K947-M961 HydrophobicContact CB-SD 4.11Å; K947-T962 WeakPolarHBondContact CA-O 3.18Å; K947-F963 HydrophobicContact CB-CD1 3.88Å; K947-F963 HydrophobicContact CB-CE1 4Å; K947-F963 HydrophobicContact CD-CE1 4.34Å
948	Y	88.2	Confident	80.4	Confident	96 Å²	96	85.2 Å²	85.2	38%	0.376	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	143	176.4	69.1	-85.9	0	0	0	111.2	E950 M961 T962 K1039	Y948-E950 HydrophobicContact CD2-CG 4.03Å; Y948-E950 HydrophobicContact CE2-CG 3.43Å; Y948-E950 VanDerWaalsContact CE2-CG 3.43Å; Y948-E950 VanDerWaalsContact CE2-OE1 3.22Å; Y948-E950 WeakPolarHBondContact CE2-OE1 3.46Å; Y948-E950 VanDerWaalsContact CZ-OE1 3.25Å; Y948-E950 PolarHBondContact OH-OE1 2.98Å; Y948-M961 VanDerWaalsContact C-SD 3.53Å; Y948-T962 HydrophobicContact CE1-CG2 3.67Å; Y948-T962 HydrophobicContact CE2-CG2 4.43Å; Y948-T962 PolarHBondContact N-O 2.83Å; Y948-T962 PolarHBondContact O-N 3.06Å; Y948-T962 VanDerWaalsContact OH-CG2 3.3Å; Y948-T962 WeakPolarHBondContact OH-CG2 3.22Å; Y948-K1039 WeakPolarHBondContact OH-CE 3.2Å; Y948-K1039 PolarHBondContact OH-NZ 2.89Å; Y948-K1039 VanDerWaalsContact OH-NZ 3.11Å
949	R	82.7	Confident	79.9	Confident	139 Å²	139	85 Å²	85	53%	0.525	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	125.2	176.9	-153.7	-176.7	-146.7	177.4	10.6	109.2	T960 M961	R949-T960 WeakPolarHBondContact CA-O 3.37Å; R949-T960 WeakPolarHBondContact CG-O 3.39Å; R949-M961 HydrophobicContact CB-CE 4.31Å; R949-M961 HydrophobicContact CG-CE 4.45Å
950	E	72.6	Confident	79.4	Confident	71 Å²	71	81.9 Å²	81.9	33%	0.332	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	145.9	164.3	-73.1	179.3	-157.5	0	0	108.7	Y948 T960 T962	Y948-E950 HydrophobicContact CD2-CG 4.03Å; Y948-E950 HydrophobicContact CE2-CG 3.43Å; Y948-E950 VanDerWaalsContact CE2-CG 3.43Å; Y948-E950 VanDerWaalsContact CE2-OE1 3.22Å; Y948-E950 WeakPolarHBondContact CE2-OE1 3.46Å; Y948-E950 VanDerWaalsContact CZ-OE1 3.25Å; Y948-E950 PolarHBondContact OH-OE1 2.98Å; E950-T960 HydrophobicContact CB-CG2 4.29Å; E950-T960 PolarHBondContact N-O 2.83Å; E950-T962 WeakPolarHBondContact OE1-CB 3.4Å; E950-T962 PolarHBondContact OE1-OG1 2.91Å
951	G	60.4	Low	79	Confident	69 Å²	69	82.9 Å²	82.9	71%	0.711	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-56.8	144.8	-171.3	0	0	0	0	0	112.3	G953	G951-G953 PolarHBondContact O-N 3.35Å
952	T	57	Low	78.7	Confident	80 Å²	80	79 Å²	79	49%	0.491	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-46.7	126	177.6	47.4	0	0	0	0	110.7	I1046	T952-I1046 HydrophobicContact CG2-CD1 3.83Å
953	G	54.9	Low	78.6	Confident	40 Å²	40	77.8 Å²	77.8	41%	0.412	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-60.3	170.8	178.6	0	0	0	0	0	112.3	G951 S955 G956	G951-G953 PolarHBondContact O-N 3.35Å; G953-S955 CarbonylContact O-C 3.57Å; G953-S955 PolarHBondContact O-N 3.24Å; G953-G956 PolarHBondContact O-N 3.15Å
954	S	52.6	Low	78.7	Confident	149 Å²	149	76.5 Å²	76.5	100%	1.042	43%	0.43	S	S	*	.	S	Bend	trans	-58	-5.3	-174	-43.5	0	0	0	0	115.9
955	S	58.2	Low	79	Confident	80 Å²	80	71.6 Å²	71.6	56%	0.559	40%	0.398	S	S	*	.	S	Bend	trans	-122.6	106.1	160.8	-179.3	0	0	0	0	107.7	G953 K957	G953-S955 CarbonylContact O-C 3.57Å; G953-S955 PolarHBondContact O-N 3.24Å; S955-K957 PolarHBondContact O-N 3.35Å
956	G	65.7	Low	79.3	Confident	51 Å²	51	68.7 Å²	68.7	53%	0.526	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	28.4	-168.4	0	0	0	0	0	116.9	G953	G953-G956 PolarHBondContact O-N 3.15Å
957	K	76.9	Confident	79.6	Confident	152 Å²	152	63 Å²	63	66%	0.661	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-22.7	177	-63.3	-175.5	176.8	-171.9	0	113.2	S955 I1046	S955-K957 PolarHBondContact O-N 3.35Å; K957-I1046 WeakPolarHBondContact O-CB 3.47Å; K957-I1046 VanDerWaalsContact O-CG2 3.27Å; K957-I1046 WeakPolarHBondContact O-CG2 3.32Å; K957-I1046 PolarHBondContact O-N 2.91Å
958	N	79.4	Confident	80	Confident	53 Å²	53	57.9 Å²	57.9	28%	0.283	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	139	-173.8	-61.3	7.7	0	0	0	109.8	E1043 H1044	N958-E1043 HydrophobicContact CB-CG 4Å; N958-E1043 PolarHBondContact ND2-OE1 3.46Å; N958-H1044 CarbonylContact C-O 3.57Å; N958-H1044 VanDerWaalsContact CA-O 3.32Å; N958-H1044 WeakPolarHBondContact CA-O 3.28Å
959	A	84.2	Confident	80.5	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	144.4	171.6	0	0	0	0	0	110.1	E1043 H1044 I1046	A959-E1043 WeakPolarHBondContact O-CA 3.46Å; A959-H1044 PolarHBondContact N-O 3.42Å; A959-H1044 PolarHBondContact O-CD2 2.8Å; A959-H1044 VanDerWaalsContact O-CD2 3.28Å; A959-H1044 PolarHBondContact O-N 3.29Å; A959-I1046 HydrophobicContact CB-CB 4.36Å; A959-I1046 HydrophobicContact CB-CG1 4.25Å
960	T	87.8	Confident	81.2	Confident	29 Å²	29	52.4 Å²	52.4	18%	0.178	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	115.9	175.3	-55.1	0	0	0	0	109	R949 E950 V1042	R949-T960 WeakPolarHBondContact CA-O 3.37Å; R949-T960 WeakPolarHBondContact CG-O 3.39Å; E950-T960 HydrophobicContact CB-CG2 4.29Å; E950-T960 PolarHBondContact N-O 2.83Å; T960-V1042 WeakPolarHBondContact CA-O 3.38Å
961	M	88.8	Confident	82.4	Confident	41 Å²	41	49 Å²	49	20%	0.202	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	119.1	171.7	-174.2	61.6	64.1	0	0	109.1	K947 Y948 R949 F963 S1041 V1042	K947-M961 HydrophobicContact CB-SD 4.11Å; Y948-M961 VanDerWaalsContact C-SD 3.53Å; R949-M961 HydrophobicContact CB-CE 4.31Å; R949-M961 HydrophobicContact CG-CE 4.45Å; M961-F963 HydrophobicContact CB-CE2 3.94Å; M961-F963 HydrophobicContact CB-CZ 4.35Å; M961-F963 HydrophobicContact CG-CD2 4.21Å; M961-F963 HydrophobicContact CG-CE1 4.27Å; M961-F963 HydrophobicContact CG-CE2 3.5Å; M961-F963 HydrophobicContact CG-CZ 3.55Å; M961-S1041 CarbonylContact O-C 3.59Å; M961-S1041 WeakPolarHBondContact O-CA 3.4Å; M961-V1042 PolarHBondContact N-O 2.94Å; M961-V1042 PolarHBondContact O-N 3Å
962	T	92	Very high	84.1	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	126.3	177.3	-60.7	0	0	0	0	110.5	K947 Y948 E950 L998 K1039	K947-T962 WeakPolarHBondContact CA-O 3.18Å; Y948-T962 HydrophobicContact CE1-CG2 3.67Å; Y948-T962 HydrophobicContact CE2-CG2 4.43Å; Y948-T962 PolarHBondContact N-O 2.83Å; Y948-T962 PolarHBondContact O-N 3.06Å; Y948-T962 VanDerWaalsContact OH-CG2 3.3Å; Y948-T962 WeakPolarHBondContact OH-CG2 3.22Å; E950-T962 WeakPolarHBondContact OE1-CB 3.4Å; E950-T962 PolarHBondContact OE1-OG1 2.91Å; T962-L998 HydrophobicContact CG2-CD1 3.94Å; T962-K1039 HydrophobicContact CG2-CD 4.34Å; T962-K1039 HydrophobicContact CG2-CG 3.99Å
963	F	93.8	Very high	85.7	Confident	31 Å²	31	46.9 Å²	46.9	14%	0.136	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	138.1	178.2	-61.5	-94.6	0	0	0	109.3	L945 F946 K947 M961 K1039 Y1040 V1042	L945-F963 HydrophobicContact CD1-CB 4.37Å; L945-F963 HydrophobicContact CD2-CD1 4.04Å; L945-F963 HydrophobicContact CG-CD1 4.44Å; F946-F963 CarbonylContact O-C 3.54Å; F946-F963 WeakPolarHBondContact O-CA 3.15Å; K947-F963 HydrophobicContact CB-CD1 3.88Å; K947-F963 HydrophobicContact CB-CE1 4Å; K947-F963 HydrophobicContact CD-CE1 4.34Å; M961-F963 HydrophobicContact CB-CE2 3.94Å; M961-F963 HydrophobicContact CB-CZ 4.35Å; M961-F963 HydrophobicContact CG-CD2 4.21Å; M961-F963 HydrophobicContact CG-CE1 4.27Å; M961-F963 HydrophobicContact CG-CE2 3.5Å; M961-F963 HydrophobicContact CG-CZ 3.55Å; F963-K1039 VanDerWaalsContact O-CA 3.24Å; F963-K1039 WeakPolarHBondContact O-CA 3.42Å; F963-K1039 VanDerWaalsContact O-CG 3.32Å; F963-K1039 WeakPolarHBondContact O-CG 3.24Å; F963-Y1040 HydrophobicContact CB-CD1 4.38Å; F963-Y1040 HydrophobicContact CB-CD2 4.13Å; F963-Y1040 HydrophobicContact CB-CE1 3.94Å; F963-Y1040 HydrophobicContact CB-CE2 3.67Å; F963-Y1040 HydrophobicContact CB-CG 4.46Å; F963-Y1040 AromaticContact CD2-CD2 3.89Å; F963-Y1040 HydrophobicContact CD2-CD2 3.89Å; F963-Y1040 AromaticContact CD2-CE2 3.34Å; F963-Y1040 HydrophobicContact CD2-CE2 3.34Å; F963-Y1040 HydrophobicContact CE2-CE2 4.09Å; F963-Y1040 HydrophobicContact CG-CD2 4.33Å; F963-Y1040 AromaticContact CG-CE2 3.6Å; F963-Y1040 HydrophobicContact CG-CE2 3.6Å; F963-Y1040 AromaticContact CG-CZ 3.76Å; F963-Y1040 PolarHBondContact N-O 3.09Å; F963-Y1040 PolarHBondContact O-N 2.82Å; F963-V1042 HydrophobicContact CD2-CG2 4.06Å; F963-V1042 HydrophobicContact CE2-CB 4.19Å; F963-V1042 HydrophobicContact CE2-CG2 3.67Å
964	K	95.2	Very high	87.5	Confident	63 Å²	63	51.7 Å²	51.7	27%	0.274	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	112.5	173.9	-180	172.4	172.2	159.1	0	110.2	F946 L966 T1037 L1038 K1039	F946-K964 HydrophobicContact CB-CB 4.39Å; F946-K964 PolarHBondContact N-O 3.49Å; F946-K964 PolarHBondContact O-N 3.45Å; K964-L966 VanDerWaalsContact CE-CD2 3.49Å; K964-T1037 HydrophobicContact CD-CG2 4.07Å; K964-T1037 HydrophobicContact CG-CG2 3.96Å; K964-L1038 CarbonylContact C-O 3.55Å; K964-L1038 WeakPolarHBondContact CA-O 3.28Å; K964-K1039 HydrophobicContact CB-CG 4.26Å
965	Q	96.3	Very high	89.4	Confident	3 Å²	3	49.8 Å²	49.8	1%	0.014	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	139.9	171	-176.2	53.7	50.4	0	0	109.7	Y942 R943 L945 I967 L1038	Y942-Q965 HydrophobicContact CD2-CG 4.31Å; Y942-Q965 VanDerWaalsContact CE2-CD 3.43Å; Y942-Q965 HydrophobicContact CE2-CG 3.5Å; Y942-Q965 PolarHBondContact OH-OE1 3Å; R943-Q965 PolarHBondContact O-NE2 3.08Å; L945-Q965 HydrophobicContact CD1-CB 3.89Å; Q965-I967 HydrophobicContact CG-CG1 4.27Å; Q965-L1038 HydrophobicContact CB-CB 4.24Å; Q965-L1038 PolarHBondContact N-O 3.04Å; Q965-L1038 PolarHBondContact O-N 2.92Å
966	L	97.2	Very high	91.1	Very high	22 Å²	22	54.1 Å²	54.1	12%	0.115	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	131.8	174.7	-73.4	175.2	0	0	0	109.9	R943 K964 E1035 T1037	R943-L966 HydrophobicContact CB-CB 4.09Å; R943-L966 HydrophobicContact CG-CB 4.28Å; R943-L966 PolarHBondContact N-O 3.19Å; K964-L966 VanDerWaalsContact CE-CD2 3.49Å; L966-E1035 HydrophobicContact CD2-CG 4.22Å; L966-T1037 WeakPolarHBondContact CD2-OG1 3.4Å
967	I	98.2	Very high	92.4	Very high	0 Å²	0	52 Å²	52	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	117.8	-179.6	-41.9	-179	0	0	0	107.9	P880 I940 Y942 Q965 V969 V981 D983 E1035 L1036	P880-I967 HydrophobicContact CB-CG2 4.14Å; P880-I967 HydrophobicContact CG-CD1 4.46Å; P880-I967 HydrophobicContact CG-CG2 3.9Å; I940-I967 HydrophobicContact CG2-CG2 4.31Å; Y942-I967 HydrophobicContact CD2-CD1 4.21Å; Y942-I967 HydrophobicContact CD2-CG1 3.91Å; Y942-I967 HydrophobicContact CE2-CD1 4.16Å; Y942-I967 HydrophobicContact CE2-CG1 4.15Å; Q965-I967 HydrophobicContact CG-CG1 4.27Å; I967-V969 HydrophobicContact CG2-CG1 4.32Å; I967-V981 HydrophobicContact CD1-CG1 4.17Å; I967-V981 HydrophobicContact CG2-CG1 4.49Å; I967-D983 HydrophobicContact CD1-CB 4.15Å; I967-E1035 CarbonylContact O-C 3.56Å; I967-L1036 HydrophobicContact CB-CB 4.3Å; I967-L1036 PolarHBondContact N-O 2.83Å; I967-L1036 PolarHBondContact O-N 2.93Å
968	E	98.1	Very high	93.3	Very high	47 Å²	47	50 Å²	50	22%	0.22	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	124.5	174.5	-180	-173.5	146.9	0	0	108.9	I940 L941 R943 I1033	I940-E968 WeakPolarHBondContact CA-O 3.32Å; L941-E968 HydrophobicContact CB-CB 4.24Å; L941-E968 PolarHBondContact N-O 3.1Å; L941-E968 PolarHBondContact O-N 3.31Å; R943-E968 IonicContact CZ-OE2 3Å; R943-E968 IonicContact NE-OE2 2.88Å; R943-E968 IonicContact NH2-OE2 3.24Å; R943-E968 PolarHBondContact NH2-OE2 3.19Å; E968-I1033 HydrophobicContact CG-CG2 3.69Å
969	V	98	Very high	94.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	137.2	176.7	-65.6	0	0	0	0	110.5	I940 I967 L979 V981 L1026 L1028 I1033 R1034	I940-V969 HydrophobicContact CG1-CG1 4.34Å; I940-V969 HydrophobicContact CG2-CG1 4.31Å; I967-V969 HydrophobicContact CG2-CG1 4.32Å; V969-L979 HydrophobicContact CB-CD2 3.91Å; V969-L979 HydrophobicContact CG1-CD2 3.95Å; V969-L979 HydrophobicContact CG2-CD2 4.17Å; V969-V981 HydrophobicContact CG1-CG2 3.97Å; V969-L1026 HydrophobicContact CG2-CD1 3.78Å; V969-L1028 HydrophobicContact CG2-CD1 4.24Å; V969-I1033 CarbonylContact O-C 3.59Å; V969-I1033 WeakPolarHBondContact O-CA 3.24Å; V969-R1034 HydrophobicContact CG2-CB 4.27Å; V969-R1034 WeakPolarHBondContact CG2-O 3.41Å; V969-R1034 PolarHBondContact N-O 3.04Å; V969-R1034 PolarHBondContact O-N 3.09Å
970	R	97.6	Very high	94.7	Very high	119 Å²	119	49.2 Å²	49.2	45%	0.449	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	120.7	-176.7	177.1	174.3	-176.8	-172.7	-2.7	111	I938 K939 T972 E1032 I1033	I938-R970 CarbonylContact C-O 3.02Å; I938-R970 WeakPolarHBondContact CA-O 3.32Å; K939-R970 HydrophobicContact CB-CB 4.41Å; K939-R970 PolarHBondContact N-O 2.83Å; K939-R970 PolarHBondContact O-N 2.7Å; R970-T972 HydrophobicContact CG-CG2 3.97Å; R970-E1032 WeakPolarHBondContact CA-O 3.24Å; R970-I1033 HydrophobicContact CB-CG1 3.98Å; R970-I1033 HydrophobicContact CG-CD1 4.47Å; R970-I1033 HydrophobicContact CG-CG1 3.67Å
971	N	97.4	Very high	95.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	125.4	164	-177.5	9.5	0	0	0	108.7	F973 R975 L1028 G1029 G1031 E1032	N971-F973 VanDerWaalsContact OD1-CB 3.32Å; N971-F973 WeakPolarHBondContact OD1-CB 3.35Å; N971-F973 WeakPolarHBondContact OD1-CD2 3.44Å; N971-F973 PolarHBondContact OD1-N 2.88Å; N971-R975 PolarHBondContact ND2-O 2.87Å; N971-L1028 HydrophobicContact CB-CB 4.09Å; N971-L1028 HydrophobicContact CB-CD1 4.49Å; N971-L1028 PolarHBondContact ND2-O 2.78Å; N971-G1029 PolarHBondContact ND2-O 3.07Å; N971-G1031 CarbonylContact O-C 3.57Å; N971-G1031 WeakPolarHBondContact O-CA 3.15Å; N971-G1031 PolarHBondContact O-N 2.63Å; N971-E1032 PolarHBondContact N-O 2.92Å
972	T	96	Very high	95.6	Very high	65 Å²	65	46.6 Å²	46.6	40%	0.399	21%	0.205	S	C	.	.			trans	-108.3	7.2	172.6	68.3	0	0	0	0	113.2	G937 K939 R970	G937-T972 VanDerWaalsContact C-OG1 3.32Å; G937-T972 WeakPolarHBondContact CA-OG1 3.41Å; G937-T972 PolarHBondContact O-N 3.11Å; G937-T972 PolarHBondContact O-OG1 2.82Å; K939-T972 HydrophobicContact CG-CG2 3.99Å; R970-T972 HydrophobicContact CG-CG2 3.97Å
973	F	92.2	Very high	95.8	Very high	39 Å²	39	46.9 Å²	46.9	17%	0.171	21%	0.207	C	C	.	.	S	Bend	trans	-80	162.2	170.8	-64.4	-70.3	0	0	0	113	E935 G937 I938 N971 R975 V977 P1030 G1031	E935-F973 VanDerWaalsContact CD-CZ 3.42Å; E935-F973 HydrophobicContact CG-CE2 4.11Å; E935-F973 HydrophobicContact CG-CZ 4.13Å; E935-F973 WeakPolarHBondContact OE2-CZ 3.46Å; G937-F973 WeakPolarHBondContact O-CD2 3.46Å; I938-F973 HydrophobicContact CG1-CE2 4.29Å; N971-F973 VanDerWaalsContact OD1-CB 3.32Å; N971-F973 WeakPolarHBondContact OD1-CB 3.35Å; N971-F973 WeakPolarHBondContact OD1-CD2 3.44Å; N971-F973 PolarHBondContact OD1-N 2.88Å; F973-R975 VanDerWaalsContact C-N 3.33Å; F973-R975 HydrophobicContact CB-CG 3.94Å; F973-R975 HydrophobicContact CG-CG 4.43Å; F973-V977 HydrophobicContact CD2-CG2 3.85Å; F973-P1030 WeakPolarHBondContact O-CA 3.19Å; F973-G1031 PolarHBondContact O-N 3.13Å
974	D	92.6	Very high	95.8	Very high	141 Å²	141	47.9 Å²	47.9	75%	0.754	21%	0.212	S	C	*	.	S	Bend	trans	-78.2	-12.6	167.2	62	-18.6	0	0	0	113.7	P1030	D974-P1030 WeakPolarHBondContact O-CB 3.38Å; D974-P1030 WeakPolarHBondContact O-CG 3.21Å
975	R	92.6	Very high	95.7	Very high	110 Å²	110	45.2 Å²	45.2	42%	0.415	20%	0.201	S	C	.	.	S	Bend	trans	-103.4	161.3	177.1	67.5	178.8	-177.6	-81.1	-1.7	113.4	Y876 N971 F973 V977	Y876-R975 PolarHBondContact OH-NH2 2.84Å; Y876-R975 VanDerWaalsContact OH-NH2 3.09Å; N971-R975 PolarHBondContact ND2-O 2.87Å; F973-R975 VanDerWaalsContact C-N 3.33Å; F973-R975 HydrophobicContact CB-CG 3.94Å; F973-R975 HydrophobicContact CG-CG 4.43Å; R975-V977 HydrophobicContact CG-CG2 4.45Å
976	R	94	Very high	95.4	Very high	171 Å²	171	46.2 Å²	46.2	65%	0.645	21%	0.208	S	C	*	.			trans	-68.9	148.3	167.8	-68.9	-176.3	174.6	-80.3	-7.3	110.8	D1027 L1028	R976-D1027 IonicContact NH1-OD1 2.86Å; R976-L1028 WeakPolarHBondContact CA-O 3.42Å
977	V	93.2	Very high	95	Very high	6 Å²	6	50.4 Å²	50.4	4%	0.036	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	137	-175.1	172.4	0	0	0	0	110.6	Y876 I938 F973 R975 L1028	Y876-V977 HydrophobicContact CD2-CG1 3.53Å; Y876-V977 HydrophobicContact CE2-CG1 3.85Å; Y876-V977 HydrophobicContact CG-CG1 4.4Å; I938-V977 HydrophobicContact CD1-CG1 3.78Å; F973-V977 HydrophobicContact CD2-CG2 3.85Å; R975-V977 HydrophobicContact CG-CG2 4.45Å; V977-L1028 PolarHBondContact N-O 3.44Å; V977-L1028 PolarHBondContact O-N 3.47Å
978	R	94.2	Very high	94.6	Very high	111 Å²	111	52.6 Å²	52.6	42%	0.419	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	124.5	163.8	-80.2	-173.6	174.5	-114.5	5.9	110.7	Y876 D1025 L1026	Y876-R978 PolarHBondContact N-O 2.8Å; R978-D1025 IonicContact NH1-OD1 2.81Å; R978-D1025 PolarHBondContact NH1-OD1 3.42Å; R978-D1025 VanDerWaalsContact NH1-OD1 3.13Å; R978-D1025 IonicContact NH1-OD2 3.77Å; R978-D1025 PolarHBondContact NH1-OD2 3.02Å; R978-D1025 VanDerWaalsContact NH1-OD2 3.12Å; R978-L1026 CarbonylContact C-O 3.56Å; R978-L1026 VanDerWaalsContact CA-O 3.31Å; R978-L1026 WeakPolarHBondContact CA-O 3.24Å
979	L	96.6	Very high	93.9	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	121.5	178.4	177.4	65.9	0	0	0	110	Y876 T878 A886 I938 V969 V981 L1026 L1028	Y876-L979 CarbonylContact O-C 3.59Å; Y876-L979 WeakPolarHBondContact O-CA 3.48Å; T878-L979 HydrophobicContact CG2-CD1 3.99Å; T878-L979 HydrophobicContact CG2-CG 4.46Å; A886-L979 HydrophobicContact CB-CD1 4.06Å; I938-L979 HydrophobicContact CD1-CD1 4.23Å; I938-L979 HydrophobicContact CG2-CD2 3.94Å; V969-L979 HydrophobicContact CB-CD2 3.91Å; V969-L979 HydrophobicContact CG1-CD2 3.95Å; V969-L979 HydrophobicContact CG2-CD2 4.17Å; L979-V981 HydrophobicContact CD2-CG2 3.94Å; L979-V981 HydrophobicContact CG-CG2 4.02Å; L979-L1026 PolarHBondContact N-O 2.87Å; L979-L1026 WeakPolarHBondContact O-CB 3.32Å; L979-L1026 PolarHBondContact O-N 3Å; L979-L1028 HydrophobicContact CB-CD1 4.21Å; L979-L1028 HydrophobicContact CD2-CD1 4.05Å
980	M	96.9	Very high	93.3	Very high	36 Å²	36	59.8 Å²	59.8	18%	0.177	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	110.5	166.3	-170.8	172.1	74.6	0	0	109.5	Y876 V877 T878 V982 R1015 E1023 W1024	Y876-M980 PolarHBondContact O-N 3.3Å; V877-M980 CarbonylContact C-O 3.55Å; V877-M980 WeakPolarHBondContact CA-O 3.41Å; V877-M980 HydrophobicContact CG1-CE 3.71Å; V877-M980 HydrophobicContact CG2-CB 4.39Å; V877-M980 HydrophobicContact CG2-CE 4.02Å; T878-M980 PolarHBondContact N-O 2.77Å; M980-V982 HydrophobicContact CE-CG2 3.94Å; M980-V982 HydrophobicContact CG-CG2 4.15Å; M980-R1015 PolarHBondContact SD-NH2 2.87Å; M980-E1023 HydrophobicContact CG-CB 4.48Å; M980-E1023 HydrophobicContact SD-CB 4.49Å; M980-E1023 HydrophobicContact SD-CG 4.42Å; M980-W1024 CarbonylContact C-O 3.53Å; M980-W1024 VanDerWaalsContact CA-O 3.28Å; M980-W1024 WeakPolarHBondContact CA-O 3.5Å
981	V	98.1	Very high	92.6	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	136.5	169.7	-175.6	0	0	0	0	108.5	T878 P880 I967 V969 L979 E1023 W1024 L1026 L1036	T878-V981 HydrophobicContact CG2-CB 4.17Å; T878-V981 HydrophobicContact CG2-CG1 4.14Å; T878-V981 HydrophobicContact CG2-CG2 3.84Å; P880-V981 HydrophobicContact CG-CG1 3.96Å; I967-V981 HydrophobicContact CD1-CG1 4.17Å; I967-V981 HydrophobicContact CG2-CG1 4.49Å; V969-V981 HydrophobicContact CG1-CG2 3.97Å; L979-V981 HydrophobicContact CD2-CG2 3.94Å; L979-V981 HydrophobicContact CG-CG2 4.02Å; V981-E1023 WeakPolarHBondContact O-CA 3.3Å; V981-W1024 HydrophobicContact CB-CB 4.45Å; V981-W1024 HydrophobicContact CB-CE3 4.1Å; V981-W1024 HydrophobicContact CG1-CE3 4.11Å; V981-W1024 HydrophobicContact CG1-CZ3 4.39Å; V981-W1024 PolarHBondContact N-O 3.01Å; V981-W1024 PolarHBondContact O-N 2.98Å; V981-L1026 HydrophobicContact CG2-CD1 3.96Å; V981-L1036 HydrophobicContact CB-CD1 3.86Å; V981-L1036 HydrophobicContact CG1-CD1 3.85Å; V981-L1036 HydrophobicContact CG2-CD1 3.86Å
982	V	97.6	Very high	92.1	Very high	15 Å²	15	66.2 Å²	66.2	9%	0.091	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	130.5	178.4	-169.1	0	0	0	0	109.8	V877 T878 V879 P880 M980 N1021 V1022 E1023	V877-V982 HydrophobicContact CG1-CG2 4.28Å; T878-V982 PolarHBondContact O-N 2.88Å; V879-V982 HydrophobicContact CG2-CB 4.39Å; P880-V982 VanDerWaalsContact CD-O 3.31Å; P880-V982 WeakPolarHBondContact CD-O 3.31Å; M980-V982 HydrophobicContact CE-CG2 3.94Å; M980-V982 HydrophobicContact CG-CG2 4.15Å; V982-N1021 HydrophobicContact CG1-CB 3.89Å; V982-V1022 WeakPolarHBondContact CA-O 3.3Å; V982-E1023 HydrophobicContact CG1-CG 4.45Å; V982-E1023 HydrophobicContact CG2-CG 4.32Å
983	D	96.1	Very high	91.7	Very high	5 Å²	5	64.8 Å²	64.8	3%	0.027	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	159.9	173.4	-163.2	6	0	0	0	110.4	I967 N1021 V1022 W1024 L1038	I967-D983 HydrophobicContact CD1-CB 4.15Å; D983-N1021 CarbonylContact O-C 3.59Å; D983-N1021 VanDerWaalsContact O-CA 3.29Å; D983-N1021 WeakPolarHBondContact O-CA 3.29Å; D983-V1022 PolarHBondContact N-O 3.15Å; D983-V1022 VanDerWaalsContact N-O 3.12Å; D983-V1022 PolarHBondContact O-N 3.21Å; D983-W1024 HydrophobicContact CB-CH2 4.28Å; D983-W1024 HydrophobicContact CB-CZ3 3.97Å; D983-L1038 HydrophobicContact CB-CD2 4.03Å
984	Q	93.5	Very high	91.6	Very high	53 Å²	53	67.5 Å²	67.5	25%	0.248	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	144.2	-169	66.7	176.6	112.6	0	0	113.8	K881 N1021	K881-Q984 HydrophobicContact CD-CG 4.16Å; Q984-N1021 VanDerWaalsContact CA-OD1 3.27Å; Q984-N1021 WeakPolarHBondContact CA-OD1 3.39Å; Q984-N1021 WeakPolarHBondContact CB-OD1 3.22Å
985	V	92.6	Very high	91.6	Very high	7 Å²	7	62.7 Å²	62.7	4%	0.042	32%	0.317	C	S	.	.			trans	-107.7	132.1	162.2	177.6	0	0	0	0	108.3	V987 V995 L997 M1016 N1020 V1022 L1038 Y1040	V985-V987 PolarHBondContact O-N 3.09Å; V985-V995 HydrophobicContact CG1-CG1 3.84Å; V985-L997 HydrophobicContact CG2-CD1 4.1Å; V985-M1016 HydrophobicContact CB-CE 4.16Å; V985-M1016 HydrophobicContact CG2-CE 3.96Å; V985-N1020 PolarHBondContact N-O 2.76Å; V985-N1020 PolarHBondContact O-ND2 2.68Å; V985-V1022 HydrophobicContact CG2-CG2 3.87Å; V985-L1038 HydrophobicContact CG2-CD1 3.92Å; V985-L1038 HydrophobicContact CG2-CD2 4.46Å; V985-Y1040 HydrophobicContact CG1-CG 4.44Å
986	P	91.3	Very high	91.5	Very high	24 Å²	24	61 Å²	61	16%	0.156	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-56.3	140.3	176.8	-26.1	35.5	0	0	0	112.3	V995 N1020 Y1040	P986-V995 HydrophobicContact CB-CG2 4.37Å; P986-V995 WeakPolarHBondContact O-CG1 3.39Å; P986-N1020 PolarHBondContact O-ND2 2.74Å; P986-Y1040 HydrophobicContact CG-CE2 3.73Å
987	V	89.2	Confident	91.6	Very high	110 Å²	110	55.1 Å²	55.1	67%	0.667	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-95.6	141.9	167	-177.9	0	0	0	0	107.3	V985 N1020	V985-V987 PolarHBondContact O-N 3.09Å; V987-N1020 HydrophobicContact CG2-CB 3.53Å
988	S	88.6	Confident	91.6	Very high	46 Å²	46	57.7 Å²	57.7	32%	0.322	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-76.4	136.8	174	-172	0	0	0	0	111.1	E990 I993	S988-E990 PolarHBondContact OG-N 3.33Å; S988-E990 VanDerWaalsContact OG-N 3.15Å; S988-E990 PolarHBondContact OG-O 3.3Å; S988-I993 VanDerWaalsContact CB-O 3.27Å; S988-I993 WeakPolarHBondContact CB-O 3.44Å; S988-I993 WeakPolarHBondContact OG-CB 3.37Å; S988-I993 PolarHBondContact OG-O 2.9Å
989	A	84	Confident	91.6	Very high	103 Å²	103	55.9 Å²	55.9	85%	0.851	31%	0.306	S	S	*	.	S	Bend	trans	-87.6	-12.5	169.1	0	0	0	0	0	113.1
990	E	85	Confident	91.6	Very high	94 Å²	94	56.7 Å²	56.7	44%	0.439	31%	0.312	S	S	.	.	S	Bend	trans	-141.7	139	-171.1	-58.6	-174.9	121.8	0	0	112.4	S988 K992 I993	S988-E990 PolarHBondContact OG-N 3.33Å; S988-E990 VanDerWaalsContact OG-N 3.15Å; S988-E990 PolarHBondContact OG-O 3.3Å; E990-K992 HydrophobicContact CB-CG 4.1Å; E990-K992 PolarHBondContact O-N 3.07Å; E990-K992 IonicContact OE1-NZ 3.26Å; E990-K992 WeakPolarHBondContact OE2-CE 3.16Å; E990-K992 IonicContact OE2-NZ 2.76Å; E990-I993 PolarHBondContact O-N 3.12Å
991	D	83.4	Confident	91.4	Very high	170 Å²	170	61 Å²	61	91%	0.909	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-21.7	-178	-66.2	-34	0	0	0	114.7
992	K	85.6	Confident	91	Very high	85 Å²	85	62.2 Å²	62.2	37%	0.37	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-15.7	178.6	62.9	-179.3	-177.6	167.9	0	113.9	E990 P1045 E1048	E990-K992 HydrophobicContact CB-CG 4.1Å; E990-K992 PolarHBondContact O-N 3.07Å; E990-K992 IonicContact OE1-NZ 3.26Å; E990-K992 WeakPolarHBondContact OE2-CE 3.16Å; E990-K992 IonicContact OE2-NZ 2.76Å; K992-P1045 HydrophobicContact CB-CG 4.28Å; K992-P1045 HydrophobicContact CD-CG 4.25Å; K992-P1045 HydrophobicContact CG-CG 4.46Å; K992-E1048 WeakPolarHBondContact CD-OE2 3.37Å; K992-E1048 VanDerWaalsContact CE-OE2 3.24Å; K992-E1048 WeakPolarHBondContact CE-OE2 3.35Å; K992-E1048 IonicContact NZ-OE1 2.82Å; K992-E1048 PolarHBondContact NZ-OE1 3.38Å; K992-E1048 IonicContact NZ-OE2 3.88Å; K992-E1048 PolarHBondContact NZ-OE2 3.47Å
993	I	87.6	Confident	90.3	Very high	35 Å²	35	69.1 Å²	69.1	18%	0.179	38%	0.375	C	S	.	.			trans	-104.1	127.5	176	-63.7	166.4	0	0	0	108.6	S988 E990 V1042 E1043 H1044 L1050	S988-I993 VanDerWaalsContact CB-O 3.27Å; S988-I993 WeakPolarHBondContact CB-O 3.44Å; S988-I993 WeakPolarHBondContact OG-CB 3.37Å; S988-I993 PolarHBondContact OG-O 2.9Å; E990-I993 PolarHBondContact O-N 3.12Å; I993-V1042 HydrophobicContact CG2-CG1 3.66Å; I993-E1043 WeakPolarHBondContact CA-O 3.45Å; I993-H1044 HydrophobicContact CG1-CB 4.37Å; I993-L1050 HydrophobicContact CD1-CD2 3.83Å; I993-L1050 HydrophobicContact CG1-CD2 4.15Å; I993-L1050 HydrophobicContact CG2-CD2 4.19Å
994	K	90.5	Very high	89.7	Confident	96 Å²	96	74.3 Å²	74.3	42%	0.417	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	122.5	178.5	-45	-167.9	-152.3	108	0	111.6	V1042 E1043	K994-V1042 WeakPolarHBondContact O-CA 3.31Å; K994-E1043 HydrophobicContact CB-CB 4.27Å; K994-E1043 PolarHBondContact N-O 3.1Å; K994-E1043 IonicContact NZ-OE1 3Å; K994-E1043 PolarHBondContact NZ-OE1 3.15Å; K994-E1043 IonicContact NZ-OE2 2.68Å; K994-E1043 PolarHBondContact NZ-OE2 3.16Å; K994-E1043 PolarHBondContact O-N 3.18Å
995	V	92.1	Very high	89.2	Confident	39 Å²	39	74.7 Å²	74.7	24%	0.236	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	124.1	176.3	-169.5	0	0	0	0	109.8	V985 P986 Y1040 S1041 V1042	V985-V995 HydrophobicContact CG1-CG1 3.84Å; P986-V995 HydrophobicContact CB-CG2 4.37Å; P986-V995 WeakPolarHBondContact O-CG1 3.39Å; V995-Y1040 HydrophobicContact CG1-CD2 4.08Å; V995-S1041 CarbonylContact C-O 3.54Å; V995-S1041 WeakPolarHBondContact CA-O 3.48Å; V995-V1042 HydrophobicContact CG1-CG2 4.4Å; V995-V1042 HydrophobicContact CG2-CG2 4.29Å
996	N	92.2	Very high	88.8	Confident	75 Å²	75	81.1 Å²	81.1	40%	0.401	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	121.6	-179.9	-58	-79.3	0	0	0	110.3	Y1040 S1041	N996-Y1040 CarbonylContact O-C 3.21Å; N996-Y1040 WeakPolarHBondContact O-CA 3.31Å; N996-Y1040 WeakPolarHBondContact O-CB 3.27Å; N996-S1041 PolarHBondContact N-O 2.89Å; N996-S1041 PolarHBondContact O-N 3.45Å
997	L	94.4	Very high	88.5	Confident	48 Å²	48	87.2 Å²	87.2	25%	0.251	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	125.6	170.9	-179.4	63.5	0	0	0	110.1	V985 E999 P1000 I1002 M1016 V1022 L1038	V985-L997 HydrophobicContact CG2-CD1 4.1Å; L997-E999 VanDerWaalsContact CD1-O 3.32Å; L997-E999 WeakPolarHBondContact CD1-O 2.78Å; L997-P1000 WeakPolarHBondContact CD2-O 3.3Å; L997-I1002 HydrophobicContact CD2-CB 4.48Å; L997-I1002 HydrophobicContact CD2-CD1 3.71Å; L997-I1002 HydrophobicContact CD2-CG1 4.11Å; L997-M1016 HydrophobicContact CD2-CE 3.92Å; L997-V1022 HydrophobicContact CD2-CG2 4.27Å; L997-L1038 HydrophobicContact CD1-CD1 3.74Å
998	L	94.2	Very high	88.4	Confident	60 Å²	60	87 Å²	87	31%	0.314	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-50.3	179.6	-55.3	178.7	0	0	0	111.1	T962 K1039	T962-L998 HydrophobicContact CG2-CD1 3.94Å; L998-K1039 WeakPolarHBondContact CA-O 3.48Å; L998-K1039 HydrophobicContact CB-CB 4.4Å; L998-K1039 HydrophobicContact CB-CD 4.21Å; L998-K1039 HydrophobicContact CB-CG 4.27Å; L998-K1039 WeakPolarHBondContact CB-O 3.4Å; L998-K1039 HydrophobicContact CD1-CD 4.15Å; L998-K1039 HydrophobicContact CD1-CG 4.21Å; L998-K1039 PolarHBondContact N-O 3.44Å
999	E	94.9	Very high	88.4	Confident	72 Å²	72	87.1 Å²	87.1	34%	0.336	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	136	177.3	-57	165.7	-141.8	0	0	108.6	L997 T1037 L1038 K1039	L997-E999 VanDerWaalsContact CD1-O 3.32Å; L997-E999 WeakPolarHBondContact CD1-O 2.78Å; E999-T1037 HydrophobicContact CB-CG2 4.23Å; E999-T1037 VanDerWaalsContact OE2-CG2 3.25Å; E999-T1037 WeakPolarHBondContact OE2-CG2 3.27Å; E999-L1038 CarbonylContact O-C 3.54Å; E999-L1038 WeakPolarHBondContact O-CA 3.4Å; E999-K1039 HydrophobicContact CB-CB 3.8Å; E999-K1039 HydrophobicContact CG-CB 4.17Å; E999-K1039 HydrophobicContact CG-CD 4.25Å; E999-K1039 PolarHBondContact N-O 3.02Å; E999-K1039 PolarHBondContact O-N 3.05Å; E999-K1039 WeakPolarHBondContact OE1-CD 3.43Å; E999-K1039 IonicContact OE1-NZ 3.55Å
1000	P	95.7	Very high	88.5	Confident	18 Å²	18	88.3 Å²	88.3	12%	0.117	43%	0.431	C	S	.	.	S	Bend	cis	-73.1	149.8	-4.6	32	-36.4	0	0	0	112.3	L997 I1002 I1014 V1022 W1024	L997-P1000 WeakPolarHBondContact CD2-O 3.3Å; P1000-I1002 HydrophobicContact CG-CD1 4.5Å; P1000-I1002 HydrophobicContact CG-CG1 4.37Å; P1000-I1002 PolarHBondContact O-N 3.07Å; P1000-I1014 HydrophobicContact CB-CD1 4.04Å; P1000-I1014 HydrophobicContact CB-CG2 3.86Å; P1000-I1014 HydrophobicContact CG-CG2 3.5Å; P1000-I1014 VanDerWaalsContact CG-CG2 3.5Å; P1000-V1022 HydrophobicContact CG-CG1 3.85Å; P1000-W1024 HydrophobicContact CG-CZ2 4.07Å
1001	T	92.6	Very high	88.7	Confident	126 Å²	126	91 Å²	91	77%	0.773	45%	0.448	S	S	*	.			trans	-77	87.8	-178.3	-45.7	0	0	0	0	111.9
1002	I	89.9	Confident	89.1	Confident	26 Å²	26	87.3 Å²	87.3	13%	0.133	42%	0.421	C	S	.	.			trans	-81.6	122.2	178.3	-58.4	173.1	0	0	0	110	L997 P1000 P1005 I1014 M1016 V1022	L997-I1002 HydrophobicContact CD2-CB 4.48Å; L997-I1002 HydrophobicContact CD2-CD1 3.71Å; L997-I1002 HydrophobicContact CD2-CG1 4.11Å; P1000-I1002 HydrophobicContact CG-CD1 4.5Å; P1000-I1002 HydrophobicContact CG-CG1 4.37Å; P1000-I1002 PolarHBondContact O-N 3.07Å; I1002-P1005 HydrophobicContact CG2-CB 4.25Å; I1002-I1014 HydrophobicContact CD1-CG2 4.27Å; I1002-I1014 HydrophobicContact CG1-CG2 4.05Å; I1002-M1016 HydrophobicContact CD1-CB 4.06Å; I1002-V1022 HydrophobicContact CD1-CG1 4.27Å; I1002-V1022 HydrophobicContact CD1-CG2 4.22Å
1003	K	83.9	Confident	89.4	Confident	159 Å²	159	87.3 Å²	87.3	69%	0.691	43%	0.43	S	S	*	.	S	Bend	trans	-82.3	116.1	171.9	-63.4	-177.7	-177.2	-179.4	0	109.9	R1012	K1003-R1012 PolarHBondContact O-NH1 3.16Å
1004	H	83.2	Confident	89.8	Confident	115 Å²	115	88.7 Å²	88.7	53%	0.532	44%	0.437	S	S	.	.			trans	65.7	65.1	-173.1	-58.7	-76.5	0	0	0	113.6	E1006 K1007	H1004-E1006 WeakPolarHBondContact CA-OE2 3.31Å; H1004-E1006 WeakPolarHBondContact CB-OE1 3.41Å; H1004-E1006 IonicContact CE1-OE1 3.8Å; H1004-E1006 IonicContact CG-OE1 2.69Å; H1004-E1006 IonicContact ND1-OE1 3.36Å; H1004-E1006 PolarHBondContact ND1-OE1 3.08Å; H1004-E1006 PolarHBondContact O-N 3.41Å; H1004-K1007 HydrophobicContact CB-CB 4.22Å; H1004-K1007 PolarHBondContact O-N 3.03Å
1005	P	83	Confident	90	Very high	61 Å²	61	84.8 Å²	84.8	40%	0.396	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-24.6	176	28.5	-36.2	0	0	0	113	I1002 K1007 M1016	I1002-P1005 HydrophobicContact CG2-CB 4.25Å; P1005-K1007 PolarHBondContact O-N 3.27Å; P1005-M1016 HydrophobicContact CB-CB 4.12Å
1006	E	82.7	Confident	90	Very high	141 Å²	141	83.4 Å²	83.4	66%	0.659	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-13	173.6	75.1	-74.2	177.3	0	0	113.9	H1004	H1004-E1006 WeakPolarHBondContact CA-OE2 3.31Å; H1004-E1006 WeakPolarHBondContact CB-OE1 3.41Å; H1004-E1006 IonicContact CE1-OE1 3.8Å; H1004-E1006 IonicContact CG-OE1 2.69Å; H1004-E1006 IonicContact ND1-OE1 3.36Å; H1004-E1006 PolarHBondContact ND1-OE1 3.08Å; H1004-E1006 PolarHBondContact O-N 3.41Å
1007	K	86.1	Confident	90	Very high	152 Å²	152	81.1 Å²	81.1	66%	0.661	40%	0.399	S	S	*	.	S	Bend	trans	-124.4	96.9	-174.3	-171.2	173.7	-177.9	173	0	112.1	H1004 P1005 D1009	H1004-K1007 HydrophobicContact CB-CB 4.22Å; H1004-K1007 PolarHBondContact O-N 3.03Å; P1005-K1007 PolarHBondContact O-N 3.27Å; K1007-D1009 PolarHBondContact O-N 2.92Å
1008	Y	88	Confident	89.7	Confident	107 Å²	107	87.4 Å²	87.4	42%	0.42	42%	0.424	S	S	.	.			trans	-57.9	134.7	172.4	-177.9	-102.3	0	0	0	112.1	K1010 R1015 M1016 N1017	Y1008-K1010 HydrophobicContact CE1-CB 4.01Å; Y1008-R1015 HydrophobicContact CD2-CG 4.4Å; Y1008-R1015 HydrophobicContact CE2-CG 4.05Å; Y1008-M1016 WeakPolarHBondContact CD2-O 3.24Å; Y1008-N1017 HydrophobicContact CD2-CB 4.03Å; Y1008-N1017 HydrophobicContact CE2-CB 4.14Å
1009	D	88.3	Confident	89.4	Confident	47 Å²	47	89.8 Å²	89.8	25%	0.251	43%	0.432	S	S	.	.			trans	-141.4	100	-178.7	-178.9	-6	0	0	0	108.7	K1007 N1011 R1012 R1015	K1007-D1009 PolarHBondContact O-N 2.92Å; D1009-N1011 PolarHBondContact O-N 2.73Å; D1009-N1011 PolarHBondContact OD1-N 3.31Å; D1009-R1012 HydrophobicContact CB-CG 4Å; D1009-R1012 PolarHBondContact O-N 3.24Å; D1009-R1012 VanDerWaalsContact O-N 3.07Å; D1009-R1012 WeakPolarHBondContact OD2-CG 3.42Å; D1009-R1012 IonicContact OD2-CZ 3.22Å; D1009-R1012 IonicContact OD2-NE 2.77Å; D1009-R1012 PolarHBondContact OD2-NE 3.17Å; D1009-R1012 IonicContact OD2-NH2 2.87Å; D1009-R1015 VanDerWaalsContact O-CD 3.27Å; D1009-R1015 WeakPolarHBondContact O-CD 3.36Å
1010	K	85.5	Confident	89.2	Confident	129 Å²	129	88.4 Å²	88.4	56%	0.561	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-18.7	-176.5	-169.1	174.8	-179.3	177.4	0	112.8	E927 Y1008	E927-K1010 IonicContact OE1-NZ 2.81Å; E927-K1010 PolarHBondContact OE1-NZ 3.25Å; Y1008-K1010 HydrophobicContact CE1-CB 4.01Å
1011	N	88.3	Confident	89.2	Confident	149 Å²	149	89.6 Å²	89.6	80%	0.797	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-5.8	-178	-58.1	-54.8	0	0	0	114.1	D1009	D1009-N1011 PolarHBondContact O-N 2.73Å; D1009-N1011 PolarHBondContact OD1-N 3.31Å
1012	R	92.2	Very high	89.4	Confident	93 Å²	93	83.6 Å²	83.6	35%	0.351	40%	0.396	S	S	.	.			trans	-87.8	140.8	179.1	-68.2	-177.2	-174	-159.2	2.5	111.9	K1003 D1009 I1014 R1015	K1003-R1012 PolarHBondContact O-NH1 3.16Å; D1009-R1012 HydrophobicContact CB-CG 4Å; D1009-R1012 PolarHBondContact O-N 3.24Å; D1009-R1012 VanDerWaalsContact O-N 3.07Å; D1009-R1012 WeakPolarHBondContact OD2-CG 3.42Å; D1009-R1012 IonicContact OD2-CZ 3.22Å; D1009-R1012 IonicContact OD2-NE 2.77Å; D1009-R1012 PolarHBondContact OD2-NE 3.17Å; D1009-R1012 IonicContact OD2-NH2 2.87Å; R1012-I1014 WeakPolarHBondContact CB-O 3.45Å; R1012-I1014 PolarHBondContact O-N 3.35Å; R1012-R1015 HydrophobicContact CB-CB 4.45Å; R1012-R1015 PolarHBondContact O-NH1 2.85Å
1013	P	93	Very high	89.7	Confident	86 Å²	86	83.1 Å²	83.1	56%	0.558	39%	0.393	S	S	*	.	S	Bend	trans	-72.8	-17.5	176.8	31.6	-36.3	0	0	0	112.8	W1024 D1025	P1013-W1024 CarbonylContact O-C 3.51Å; P1013-W1024 WeakPolarHBondContact O-CA 3.44Å; P1013-D1025 PolarHBondContact O-N 2.97Å
1014	I	95	Very high	90.4	Very high	64 Å²	64	75.8 Å²	75.8	33%	0.328	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	128.5	171	-49	-179.2	0	0	0	108.2	P1000 I1002 R1012 V1022 E1023	P1000-I1014 HydrophobicContact CB-CD1 4.04Å; P1000-I1014 HydrophobicContact CB-CG2 3.86Å; P1000-I1014 HydrophobicContact CG-CG2 3.5Å; P1000-I1014 VanDerWaalsContact CG-CG2 3.5Å; I1002-I1014 HydrophobicContact CD1-CG2 4.27Å; I1002-I1014 HydrophobicContact CG1-CG2 4.05Å; R1012-I1014 WeakPolarHBondContact CB-O 3.45Å; R1012-I1014 PolarHBondContact O-N 3.35Å; I1014-V1022 HydrophobicContact CG2-CG1 4.26Å; I1014-E1023 WeakPolarHBondContact CA-O 3.49Å
1015	R	95.1	Very high	91	Very high	13 Å²	13	72 Å²	72	5%	0.049	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	159.3	-173.7	59.4	-163.2	-179.9	-109.9	-8.3	111.3	M980 Y1008 D1009 R1012 E1023	M980-R1015 PolarHBondContact SD-NH2 2.87Å; Y1008-R1015 HydrophobicContact CD2-CG 4.4Å; Y1008-R1015 HydrophobicContact CE2-CG 4.05Å; D1009-R1015 VanDerWaalsContact O-CD 3.27Å; D1009-R1015 WeakPolarHBondContact O-CD 3.36Å; R1012-R1015 HydrophobicContact CB-CB 4.45Å; R1012-R1015 PolarHBondContact O-NH1 2.85Å; R1015-E1023 HydrophobicContact CG-CB 3.93Å; R1015-E1023 IonicContact CZ-OE2 3.59Å; R1015-E1023 PolarHBondContact N-O 3.43Å; R1015-E1023 VanDerWaalsContact N-O 3.09Å; R1015-E1023 IonicContact NE-OE2 3.66Å; R1015-E1023 PolarHBondContact NE-OE2 3.47Å; R1015-E1023 IonicContact NH2-OE2 3.8Å; R1015-E1023 PolarHBondContact NH2-OE2 3.28Å; R1015-E1023 PolarHBondContact O-N 2.86Å
1016	M	93.1	Very high	91.6	Very high	10 Å²	10	69.7 Å²	69.7	5%	0.049	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	135.7	172.1	-173.3	69	90.4	0	0	108.1	V985 L997 I1002 P1005 Y1008 N1020 N1021 V1022	V985-M1016 HydrophobicContact CB-CE 4.16Å; V985-M1016 HydrophobicContact CG2-CE 3.96Å; L997-M1016 HydrophobicContact CD2-CE 3.92Å; I1002-M1016 HydrophobicContact CD1-CB 4.06Å; P1005-M1016 HydrophobicContact CB-CB 4.12Å; Y1008-M1016 WeakPolarHBondContact CD2-O 3.24Å; M1016-N1020 WeakPolarHBondContact CE-OD1 3.43Å; M1016-N1021 VanDerWaalsContact SD-O 3.35Å; M1016-V1022 HydrophobicContact CE-CG2 3.7Å; M1016-V1022 HydrophobicContact SD-CG2 3.78Å
1017	N	91.3	Very high	92.2	Very high	27 Å²	27	66.5 Å²	66.5	14%	0.144	32%	0.316	C	S	.	.			trans	-100.9	174.4	177.1	79.1	26.6	0	0	0	112.6	Y1008 F1019 N1020 N1021 E1023	Y1008-N1017 HydrophobicContact CD2-CB 4.03Å; Y1008-N1017 HydrophobicContact CE2-CB 4.14Å; N1017-F1019 PolarHBondContact O-N 2.81Å; N1017-F1019 WeakPolarHBondContact OD1-CB 3.49Å; N1017-F1019 PolarHBondContact OD1-N 2.94Å; N1017-N1020 PolarHBondContact O-N 2.91Å; N1017-N1021 PolarHBondContact N-O 3.21Å; N1017-N1021 PolarHBondContact OD1-N 3Å; N1017-E1023 WeakPolarHBondContact CB-OE1 3.48Å; N1017-E1023 PolarHBondContact ND2-OE1 2.93Å
1018	K	88.6	Confident	92.7	Very high	181 Å²	181	59.3 Å²	59.3	79%	0.787	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-11.7	-174.4	68.3	164.2	-172.3	163.6	0	115.4
1019	F	88	Confident	93.1	Very high	109 Å²	109	54.5 Å²	54.5	48%	0.478	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	13.3	177.3	-58	-72.1	0	0	0	112.4	N1017 N1021	N1017-F1019 PolarHBondContact O-N 2.81Å; N1017-F1019 WeakPolarHBondContact OD1-CB 3.49Å; N1017-F1019 PolarHBondContact OD1-N 2.94Å; F1019-N1021 PolarHBondContact O-N 3.02Å
1020	N	90.9	Very high	93.6	Very high	44 Å²	44	55.6 Å²	55.6	24%	0.235	28%	0.278	C	S	.	.	S	Bend	trans	59.5	27.8	-174.3	-150.4	45.5	0	0	0	114.1	V985 P986 V987 M1016 N1017	V985-N1020 PolarHBondContact N-O 2.76Å; V985-N1020 PolarHBondContact O-ND2 2.68Å; P986-N1020 PolarHBondContact O-ND2 2.74Å; V987-N1020 HydrophobicContact CG2-CB 3.53Å; M1016-N1020 WeakPolarHBondContact CE-OD1 3.43Å; N1017-N1020 PolarHBondContact O-N 2.91Å
1021	N	94.6	Very high	94	Very high	43 Å²	43	51.3 Å²	51.3	23%	0.23	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	134.9	171	-63.6	-29.4	0	0	0	110.5	V982 D983 Q984 M1016 N1017 F1019	V982-N1021 HydrophobicContact CG1-CB 3.89Å; D983-N1021 CarbonylContact O-C 3.59Å; D983-N1021 VanDerWaalsContact O-CA 3.29Å; D983-N1021 WeakPolarHBondContact O-CA 3.29Å; Q984-N1021 VanDerWaalsContact CA-OD1 3.27Å; Q984-N1021 WeakPolarHBondContact CA-OD1 3.39Å; Q984-N1021 WeakPolarHBondContact CB-OD1 3.22Å; M1016-N1021 VanDerWaalsContact SD-O 3.35Å; N1017-N1021 PolarHBondContact N-O 3.21Å; N1017-N1021 PolarHBondContact OD1-N 3Å; F1019-N1021 PolarHBondContact O-N 3.02Å
1022	V	96.2	Very high	94.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	129.8	172.8	177.3	0	0	0	0	108.9	V982 D983 V985 L997 P1000 I1002 I1014 M1016 W1024 L1038	V982-V1022 WeakPolarHBondContact CA-O 3.3Å; D983-V1022 PolarHBondContact N-O 3.15Å; D983-V1022 VanDerWaalsContact N-O 3.12Å; D983-V1022 PolarHBondContact O-N 3.21Å; V985-V1022 HydrophobicContact CG2-CG2 3.87Å; L997-V1022 HydrophobicContact CD2-CG2 4.27Å; P1000-V1022 HydrophobicContact CG-CG1 3.85Å; I1002-V1022 HydrophobicContact CD1-CG1 4.27Å; I1002-V1022 HydrophobicContact CD1-CG2 4.22Å; I1014-V1022 HydrophobicContact CG2-CG1 4.26Å; M1016-V1022 HydrophobicContact CE-CG2 3.7Å; M1016-V1022 HydrophobicContact SD-CG2 3.78Å; V1022-W1024 HydrophobicContact CB-CH2 3.93Å; V1022-W1024 HydrophobicContact CB-CZ2 4.42Å; V1022-W1024 HydrophobicContact CB-CZ3 4.02Å; V1022-W1024 HydrophobicContact CG1-CD2 3.97Å; V1022-W1024 HydrophobicContact CG1-CE3 3.95Å; V1022-W1024 HydrophobicContact CG1-CH2 3.59Å; V1022-W1024 HydrophobicContact CG1-CZ2 3.62Å; V1022-W1024 HydrophobicContact CG1-CZ3 3.76Å; V1022-L1038 HydrophobicContact CB-CD1 4.41Å; V1022-L1038 HydrophobicContact CG2-CD1 3.93Å
1023	E	97.3	Very high	94.8	Very high	15 Å²	15	46.9 Å²	46.9	7%	0.07	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	128.4	176.1	-62.2	175.8	-168.3	0	0	110	M980 V981 V982 I1014 R1015 N1017	M980-E1023 HydrophobicContact CG-CB 4.48Å; M980-E1023 HydrophobicContact SD-CB 4.49Å; M980-E1023 HydrophobicContact SD-CG 4.42Å; V981-E1023 WeakPolarHBondContact O-CA 3.3Å; V982-E1023 HydrophobicContact CG1-CG 4.45Å; V982-E1023 HydrophobicContact CG2-CG 4.32Å; I1014-E1023 WeakPolarHBondContact CA-O 3.49Å; R1015-E1023 HydrophobicContact CG-CB 3.93Å; R1015-E1023 IonicContact CZ-OE2 3.59Å; R1015-E1023 PolarHBondContact N-O 3.43Å; R1015-E1023 VanDerWaalsContact N-O 3.09Å; R1015-E1023 IonicContact NE-OE2 3.66Å; R1015-E1023 PolarHBondContact NE-OE2 3.47Å; R1015-E1023 IonicContact NH2-OE2 3.8Å; R1015-E1023 PolarHBondContact NH2-OE2 3.28Å; R1015-E1023 PolarHBondContact O-N 2.86Å; N1017-E1023 WeakPolarHBondContact CB-OE1 3.48Å; N1017-E1023 PolarHBondContact ND2-OE1 2.93Å
1024	W	97.5	Very high	95	Very high	6 Å²	6	46.1 Å²	46.1	2%	0.023	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	113.3	168.7	-58.6	-104.6	0	0	0	109.7	M980 V981 D983 P1000 P1013 V1022 L1026 L1036 L1038	M980-W1024 CarbonylContact C-O 3.53Å; M980-W1024 VanDerWaalsContact CA-O 3.28Å; M980-W1024 WeakPolarHBondContact CA-O 3.5Å; V981-W1024 HydrophobicContact CB-CB 4.45Å; V981-W1024 HydrophobicContact CB-CE3 4.1Å; V981-W1024 HydrophobicContact CG1-CE3 4.11Å; V981-W1024 HydrophobicContact CG1-CZ3 4.39Å; V981-W1024 PolarHBondContact N-O 3.01Å; V981-W1024 PolarHBondContact O-N 2.98Å; D983-W1024 HydrophobicContact CB-CH2 4.28Å; D983-W1024 HydrophobicContact CB-CZ3 3.97Å; P1000-W1024 HydrophobicContact CG-CZ2 4.07Å; P1013-W1024 CarbonylContact O-C 3.51Å; P1013-W1024 WeakPolarHBondContact O-CA 3.44Å; V1022-W1024 HydrophobicContact CB-CH2 3.93Å; V1022-W1024 HydrophobicContact CB-CZ2 4.42Å; V1022-W1024 HydrophobicContact CB-CZ3 4.02Å; V1022-W1024 HydrophobicContact CG1-CD2 3.97Å; V1022-W1024 HydrophobicContact CG1-CE3 3.95Å; V1022-W1024 HydrophobicContact CG1-CH2 3.59Å; V1022-W1024 HydrophobicContact CG1-CZ2 3.62Å; V1022-W1024 HydrophobicContact CG1-CZ3 3.76Å; W1024-L1026 HydrophobicContact CB-CD2 3.97Å; W1024-L1026 HydrophobicContact CB-CG 4.14Å; W1024-L1036 HydrophobicContact CB-CD1 4.31Å; W1024-L1036 HydrophobicContact CD2-CD1 3.94Å; W1024-L1036 HydrophobicContact CE3-CD1 4.22Å; W1024-L1036 HydrophobicContact CG-CD1 4.01Å; W1024-L1036 HydrophobicContact CG-CD2 4.3Å; W1024-L1038 HydrophobicContact CH2-CB 3.97Å; W1024-L1038 HydrophobicContact CH2-CD1 4.25Å; W1024-L1038 HydrophobicContact CH2-CD2 4.42Å; W1024-L1038 HydrophobicContact CH2-CG 4.45Å; W1024-L1038 HydrophobicContact CZ2-CB 4.2Å; W1024-L1038 HydrophobicContact CZ2-CD1 4.48Å
1025	D	96	Very high	95.1	Very high	35 Å²	35	48.2 Å²	48.2	19%	0.187	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	103.5	171.4	176.6	3.6	0	0	0	108.8	R978 P1013	R978-D1025 IonicContact NH1-OD1 2.81Å; R978-D1025 PolarHBondContact NH1-OD1 3.42Å; R978-D1025 VanDerWaalsContact NH1-OD1 3.13Å; R978-D1025 IonicContact NH1-OD2 3.77Å; R978-D1025 PolarHBondContact NH1-OD2 3.02Å; R978-D1025 VanDerWaalsContact NH1-OD2 3.12Å; P1013-D1025 PolarHBondContact O-N 2.97Å
1026	L	96.4	Very high	95.2	Very high	13 Å²	13	48.2 Å²	48.2	7%	0.068	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	118.6	-171.7	-54.8	178.2	0	0	0	111.2	V969 R978 L979 V981 W1024 L1028 L1036	V969-L1026 HydrophobicContact CG2-CD1 3.78Å; R978-L1026 CarbonylContact C-O 3.56Å; R978-L1026 VanDerWaalsContact CA-O 3.31Å; R978-L1026 WeakPolarHBondContact CA-O 3.24Å; L979-L1026 PolarHBondContact N-O 2.87Å; L979-L1026 WeakPolarHBondContact O-CB 3.32Å; L979-L1026 PolarHBondContact O-N 3Å; V981-L1026 HydrophobicContact CG2-CD1 3.96Å; W1024-L1026 HydrophobicContact CB-CD2 3.97Å; W1024-L1026 HydrophobicContact CB-CG 4.14Å; L1026-L1028 HydrophobicContact CB-CD2 4.43Å; L1026-L1028 HydrophobicContact CB-CG 4.2Å; L1026-L1036 HydrophobicContact CD1-CD1 4.19Å; L1026-L1036 HydrophobicContact CD1-CD2 4.09Å; L1026-L1036 HydrophobicContact CD2-CD2 4.17Å
1027	D	95.5	Very high	95.4	Very high	74 Å²	74	49 Å²	49	40%	0.396	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	118.5	157.8	-171.8	-24.5	0	0	0	108.3	R976 R1034	R976-D1027 IonicContact NH1-OD1 2.86Å; D1027-R1034 VanDerWaalsContact O-CZ 3.23Å; D1027-R1034 PolarHBondContact O-NH1 3.41Å; D1027-R1034 PolarHBondContact O-NH2 3.24Å
1028	L	96.7	Very high	95.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	126.7	-178.8	-65.6	173	0	0	0	110.2	V969 N971 R976 V977 L979 L1026 E1032 R1034	V969-L1028 HydrophobicContact CG2-CD1 4.24Å; N971-L1028 HydrophobicContact CB-CB 4.09Å; N971-L1028 HydrophobicContact CB-CD1 4.49Å; N971-L1028 PolarHBondContact ND2-O 2.78Å; R976-L1028 WeakPolarHBondContact CA-O 3.42Å; V977-L1028 PolarHBondContact N-O 3.44Å; V977-L1028 PolarHBondContact O-N 3.47Å; L979-L1028 HydrophobicContact CB-CD1 4.21Å; L979-L1028 HydrophobicContact CD2-CD1 4.05Å; L1026-L1028 HydrophobicContact CB-CD2 4.43Å; L1026-L1028 HydrophobicContact CB-CG 4.2Å; L1028-E1032 HydrophobicContact CD2-CG 4.44Å; L1028-R1034 HydrophobicContact CD2-CB 3.83Å
1029	G	96.9	Very high	96.1	Very high	7 Å²	7	40.8 Å²	40.8	7%	0.072	21%	0.214	C	C	.	.			trans	-66.1	164.8	172.5	0	0	0	0	0	113.5	N971 G1031 E1032	N971-G1029 PolarHBondContact ND2-O 3.07Å; G1029-G1031 PolarHBondContact O-N 3.37Å; G1029-E1032 PolarHBondContact N-OE2 2.92Å; G1029-E1032 VanDerWaalsContact O-CB 3.26Å; G1029-E1032 WeakPolarHBondContact O-CB 3.38Å; G1029-E1032 PolarHBondContact O-N 3.18Å
1030	P	96.9	Very high	96.4	Very high	69 Å²	69	36.8 Å²	36.8	45%	0.448	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	128.5	171.6	-24.6	35.1	0	0	0	111.1	F973 D974 E1032	F973-P1030 WeakPolarHBondContact O-CA 3.19Å; D974-P1030 WeakPolarHBondContact O-CB 3.38Å; D974-P1030 WeakPolarHBondContact O-CG 3.21Å; P1030-E1032 PolarHBondContact O-N 3.12Å; P1030-E1032 VanDerWaalsContact O-N 3.15Å
1031	G	95.8	Very high	96.5	Very high	40 Å²	40	35.3 Å²	35.3	41%	0.412	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.6	1.4	-177	0	0	0	0	0	116.3	N971 F973 G1029	N971-G1031 CarbonylContact O-C 3.57Å; N971-G1031 WeakPolarHBondContact O-CA 3.15Å; N971-G1031 PolarHBondContact O-N 2.63Å; F973-G1031 PolarHBondContact O-N 3.13Å; G1029-G1031 PolarHBondContact O-N 3.37Å
1032	E	98.1	Very high	96.4	Very high	61 Å²	61	33.7 Å²	33.7	29%	0.285	18%	0.181	S	C	.	.			trans	-68	138	-173.6	-169.6	-178.8	161.5	0	0	112.2	R970 N971 L1028 G1029 P1030 R1034	R970-E1032 WeakPolarHBondContact CA-O 3.24Å; N971-E1032 PolarHBondContact N-O 2.92Å; L1028-E1032 HydrophobicContact CD2-CG 4.44Å; G1029-E1032 PolarHBondContact N-OE2 2.92Å; G1029-E1032 VanDerWaalsContact O-CB 3.26Å; G1029-E1032 WeakPolarHBondContact O-CB 3.38Å; G1029-E1032 PolarHBondContact O-N 3.18Å; P1030-E1032 PolarHBondContact O-N 3.12Å; P1030-E1032 VanDerWaalsContact O-N 3.15Å; E1032-R1034 VanDerWaalsContact CD-NH2 3.31Å; E1032-R1034 IonicContact OE1-CZ 2.73Å; E1032-R1034 VanDerWaalsContact OE1-CZ 3.29Å; E1032-R1034 IonicContact OE1-NE 3.18Å; E1032-R1034 PolarHBondContact OE1-NE 2.99Å; E1032-R1034 IonicContact OE1-NH2 3.7Å; E1032-R1034 PolarHBondContact OE1-NH2 2.82Å; E1032-R1034 IonicContact OE2-NH2 3.82Å; E1032-R1034 PolarHBondContact OE2-NH2 3.22Å
1033	I	97.6	Very high	96.1	Very high	87 Å²	87	35.8 Å²	35.8	45%	0.446	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	134.7	170.1	-56.8	168.2	0	0	0	108.2	E968 V969 R970	E968-I1033 HydrophobicContact CG-CG2 3.69Å; V969-I1033 CarbonylContact O-C 3.59Å; V969-I1033 WeakPolarHBondContact O-CA 3.24Å; R970-I1033 HydrophobicContact CB-CG1 3.98Å; R970-I1033 HydrophobicContact CG-CD1 4.47Å; R970-I1033 HydrophobicContact CG-CG1 3.67Å
1034	R	97.8	Very high	95.6	Very high	71 Å²	71	35.7 Å²	35.7	27%	0.268	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	126.8	176.7	-165.3	173	-68.7	163.8	0.1	110.1	V969 D1027 L1028 E1032	V969-R1034 HydrophobicContact CG2-CB 4.27Å; V969-R1034 WeakPolarHBondContact CG2-O 3.41Å; V969-R1034 PolarHBondContact N-O 3.04Å; V969-R1034 PolarHBondContact O-N 3.09Å; D1027-R1034 VanDerWaalsContact O-CZ 3.23Å; D1027-R1034 PolarHBondContact O-NH1 3.41Å; D1027-R1034 PolarHBondContact O-NH2 3.24Å; L1028-R1034 HydrophobicContact CD2-CB 3.83Å; E1032-R1034 VanDerWaalsContact CD-NH2 3.31Å; E1032-R1034 IonicContact OE1-CZ 2.73Å; E1032-R1034 VanDerWaalsContact OE1-CZ 3.29Å; E1032-R1034 IonicContact OE1-NE 3.18Å; E1032-R1034 PolarHBondContact OE1-NE 2.99Å; E1032-R1034 IonicContact OE1-NH2 3.7Å; E1032-R1034 PolarHBondContact OE1-NH2 2.82Å; E1032-R1034 IonicContact OE2-NH2 3.82Å; E1032-R1034 PolarHBondContact OE2-NH2 3.22Å
1035	E	97.7	Very high	94.9	Very high	108 Å²	108	36.8 Å²	36.8	51%	0.505	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	138	172.4	-171.6	178.2	84.7	0	0	110	L966 I967	L966-E1035 HydrophobicContact CD2-CG 4.22Å; I967-E1035 CarbonylContact O-C 3.56Å
1036	L	97.5	Very high	94.1	Very high	12 Å²	12	37.9 Å²	37.9	6%	0.063	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	138.6	173	-48.6	176	0	0	0	108.7	I967 V981 W1024 L1026	I967-L1036 HydrophobicContact CB-CB 4.3Å; I967-L1036 PolarHBondContact N-O 2.83Å; I967-L1036 PolarHBondContact O-N 2.93Å; V981-L1036 HydrophobicContact CB-CD1 3.86Å; V981-L1036 HydrophobicContact CG1-CD1 3.85Å; V981-L1036 HydrophobicContact CG2-CD1 3.86Å; W1024-L1036 HydrophobicContact CB-CD1 4.31Å; W1024-L1036 HydrophobicContact CD2-CD1 3.94Å; W1024-L1036 HydrophobicContact CE3-CD1 4.22Å; W1024-L1036 HydrophobicContact CG-CD1 4.01Å; W1024-L1036 HydrophobicContact CG-CD2 4.3Å; L1026-L1036 HydrophobicContact CD1-CD1 4.19Å; L1026-L1036 HydrophobicContact CD1-CD2 4.09Å; L1026-L1036 HydrophobicContact CD2-CD2 4.17Å
1037	T	96.8	Very high	93.1	Very high	26 Å²	26	44.3 Å²	44.3	16%	0.16	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	129.6	166.7	-67.3	0	0	0	0	109.2	K964 L966 E999 K1039	K964-T1037 HydrophobicContact CD-CG2 4.07Å; K964-T1037 HydrophobicContact CG-CG2 3.96Å; L966-T1037 WeakPolarHBondContact CD2-OG1 3.4Å; E999-T1037 HydrophobicContact CB-CG2 4.23Å; E999-T1037 VanDerWaalsContact OE2-CG2 3.25Å; E999-T1037 WeakPolarHBondContact OE2-CG2 3.27Å; T1037-K1039 HydrophobicContact CG2-CB 4.09Å
1038	L	97.3	Very high	91.9	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	124.9	160.1	178.2	63.9	0	0	0	107.6	K964 Q965 D983 V985 L997 E999 V1022 W1024 Y1040	K964-L1038 CarbonylContact C-O 3.55Å; K964-L1038 WeakPolarHBondContact CA-O 3.28Å; Q965-L1038 HydrophobicContact CB-CB 4.24Å; Q965-L1038 PolarHBondContact N-O 3.04Å; Q965-L1038 PolarHBondContact O-N 2.92Å; D983-L1038 HydrophobicContact CB-CD2 4.03Å; V985-L1038 HydrophobicContact CG2-CD1 3.92Å; V985-L1038 HydrophobicContact CG2-CD2 4.46Å; L997-L1038 HydrophobicContact CD1-CD1 3.74Å; E999-L1038 CarbonylContact O-C 3.54Å; E999-L1038 WeakPolarHBondContact O-CA 3.4Å; V1022-L1038 HydrophobicContact CB-CD1 4.41Å; V1022-L1038 HydrophobicContact CG2-CD1 3.93Å; W1024-L1038 HydrophobicContact CH2-CB 3.97Å; W1024-L1038 HydrophobicContact CH2-CD1 4.25Å; W1024-L1038 HydrophobicContact CH2-CD2 4.42Å; W1024-L1038 HydrophobicContact CH2-CG 4.45Å; W1024-L1038 HydrophobicContact CZ2-CB 4.2Å; W1024-L1038 HydrophobicContact CZ2-CD1 4.48Å; L1038-Y1040 HydrophobicContact CG-CD1 4.48Å
1039	K	96.3	Very high	90.5	Very high	35 Å²	35	52.5 Å²	52.5	15%	0.152	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	125.2	-177.4	-169	-169.5	177.2	-175.8	0	109.7	Y948 T962 F963 K964 L998 E999 T1037	Y948-K1039 WeakPolarHBondContact OH-CE 3.2Å; Y948-K1039 PolarHBondContact OH-NZ 2.89Å; Y948-K1039 VanDerWaalsContact OH-NZ 3.11Å; T962-K1039 HydrophobicContact CG2-CD 4.34Å; T962-K1039 HydrophobicContact CG2-CG 3.99Å; F963-K1039 VanDerWaalsContact O-CA 3.24Å; F963-K1039 WeakPolarHBondContact O-CA 3.42Å; F963-K1039 VanDerWaalsContact O-CG 3.32Å; F963-K1039 WeakPolarHBondContact O-CG 3.24Å; K964-K1039 HydrophobicContact CB-CG 4.26Å; L998-K1039 WeakPolarHBondContact CA-O 3.48Å; L998-K1039 HydrophobicContact CB-CB 4.4Å; L998-K1039 HydrophobicContact CB-CD 4.21Å; L998-K1039 HydrophobicContact CB-CG 4.27Å; L998-K1039 WeakPolarHBondContact CB-O 3.4Å; L998-K1039 HydrophobicContact CD1-CD 4.15Å; L998-K1039 HydrophobicContact CD1-CG 4.21Å; L998-K1039 PolarHBondContact N-O 3.44Å; E999-K1039 HydrophobicContact CB-CB 3.8Å; E999-K1039 HydrophobicContact CG-CB 4.17Å; E999-K1039 HydrophobicContact CG-CD 4.25Å; E999-K1039 PolarHBondContact N-O 3.02Å; E999-K1039 PolarHBondContact O-N 3.05Å; E999-K1039 WeakPolarHBondContact OE1-CD 3.43Å; E999-K1039 IonicContact OE1-NZ 3.55Å; T1037-K1039 HydrophobicContact CG2-CB 4.09Å
1040	Y	95.2	Very high	89.3	Confident	26 Å²	26	54.9 Å²	54.9	10%	0.102	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	152.5	176.9	60.2	-92.8	0	0	0	110.2	F963 V985 P986 V995 N996 L1038 V1042	F963-Y1040 HydrophobicContact CB-CD1 4.38Å; F963-Y1040 HydrophobicContact CB-CD2 4.13Å; F963-Y1040 HydrophobicContact CB-CE1 3.94Å; F963-Y1040 HydrophobicContact CB-CE2 3.67Å; F963-Y1040 HydrophobicContact CB-CG 4.46Å; F963-Y1040 AromaticContact CD2-CD2 3.89Å; F963-Y1040 HydrophobicContact CD2-CD2 3.89Å; F963-Y1040 AromaticContact CD2-CE2 3.34Å; F963-Y1040 HydrophobicContact CD2-CE2 3.34Å; F963-Y1040 HydrophobicContact CE2-CE2 4.09Å; F963-Y1040 HydrophobicContact CG-CD2 4.33Å; F963-Y1040 AromaticContact CG-CE2 3.6Å; F963-Y1040 HydrophobicContact CG-CE2 3.6Å; F963-Y1040 AromaticContact CG-CZ 3.76Å; F963-Y1040 PolarHBondContact N-O 3.09Å; F963-Y1040 PolarHBondContact O-N 2.82Å; V985-Y1040 HydrophobicContact CG1-CG 4.44Å; P986-Y1040 HydrophobicContact CG-CE2 3.73Å; V995-Y1040 HydrophobicContact CG1-CD2 4.08Å; N996-Y1040 CarbonylContact O-C 3.21Å; N996-Y1040 WeakPolarHBondContact O-CA 3.31Å; N996-Y1040 WeakPolarHBondContact O-CB 3.27Å; L1038-Y1040 HydrophobicContact CG-CD1 4.48Å; Y1040-V1042 HydrophobicContact CD2-CG2 4.05Å; Y1040-V1042 HydrophobicContact CE2-CG2 4.05Å
1041	S	93.3	Very high	87.9	Confident	12 Å²	12	58.5 Å²	58.5	8%	0.084	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	143.3	172	59.3	0	0	0	0	111.2	M961 V995 N996	M961-S1041 CarbonylContact O-C 3.59Å; M961-S1041 WeakPolarHBondContact O-CA 3.4Å; V995-S1041 CarbonylContact C-O 3.54Å; V995-S1041 WeakPolarHBondContact CA-O 3.48Å; N996-S1041 PolarHBondContact N-O 2.89Å; N996-S1041 PolarHBondContact O-N 3.45Å
1042	V	92.2	Very high	86.5	Confident	10 Å²	10	61 Å²	61	6%	0.061	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	115.3	173.3	-173.8	0	0	0	0	107.7	T960 M961 F963 I993 K994 V995 Y1040 L1050	T960-V1042 WeakPolarHBondContact CA-O 3.38Å; M961-V1042 PolarHBondContact N-O 2.94Å; M961-V1042 PolarHBondContact O-N 3Å; F963-V1042 HydrophobicContact CD2-CG2 4.06Å; F963-V1042 HydrophobicContact CE2-CB 4.19Å; F963-V1042 HydrophobicContact CE2-CG2 3.67Å; I993-V1042 HydrophobicContact CG2-CG1 3.66Å; K994-V1042 WeakPolarHBondContact O-CA 3.31Å; V995-V1042 HydrophobicContact CG1-CG2 4.4Å; V995-V1042 HydrophobicContact CG2-CG2 4.29Å; Y1040-V1042 HydrophobicContact CD2-CG2 4.05Å; Y1040-V1042 HydrophobicContact CE2-CG2 4.05Å; V1042-L1050 HydrophobicContact CB-CD1 4.16Å; V1042-L1050 HydrophobicContact CG1-CD1 3.69Å; V1042-L1050 HydrophobicContact CG1-CD2 4.04Å
1043	E	89.8	Confident	84.9	Confident	43 Å²	43	63 Å²	63	20%	0.201	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	125.6	169.9	-172	-167.3	167.2	0	0	108.4	N958 A959 I993 K994	N958-E1043 HydrophobicContact CB-CG 4Å; N958-E1043 PolarHBondContact ND2-OE1 3.46Å; A959-E1043 WeakPolarHBondContact O-CA 3.46Å; I993-E1043 WeakPolarHBondContact CA-O 3.45Å; K994-E1043 HydrophobicContact CB-CB 4.27Å; K994-E1043 PolarHBondContact N-O 3.1Å; K994-E1043 IonicContact NZ-OE1 3Å; K994-E1043 PolarHBondContact NZ-OE1 3.15Å; K994-E1043 IonicContact NZ-OE2 2.68Å; K994-E1043 PolarHBondContact NZ-OE2 3.16Å; K994-E1043 PolarHBondContact O-N 3.18Å
1044	H	85.7	Confident	83	Confident	13 Å²	13	62.7 Å²	62.7	6%	0.06	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	161.1	-179.1	70.7	115	0	0	0	111.3	N958 A959 I993 E1048 L1050	N958-H1044 CarbonylContact C-O 3.57Å; N958-H1044 VanDerWaalsContact CA-O 3.32Å; N958-H1044 WeakPolarHBondContact CA-O 3.28Å; A959-H1044 PolarHBondContact N-O 3.42Å; A959-H1044 PolarHBondContact O-CD2 2.8Å; A959-H1044 VanDerWaalsContact O-CD2 3.28Å; A959-H1044 PolarHBondContact O-N 3.29Å; I993-H1044 HydrophobicContact CG1-CB 4.37Å; H1044-E1048 PolarHBondContact CE1-O 2.77Å; H1044-E1048 PolarHBondContact ND1-O 3.49Å; H1044-L1050 HydrophobicContact CB-CD1 4.24Å; H1044-L1050 HydrophobicContact CB-CD2 3.9Å; H1044-L1050 HydrophobicContact CB-CG 4.14Å
1045	P	84.6	Confident	80.9	Confident	29 Å²	29	64.3 Å²	64.3	19%	0.188	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	138.8	174.1	-26	39.3	0	0	0	111.8	K992 N1047 E1048	K992-P1045 HydrophobicContact CB-CG 4.28Å; K992-P1045 HydrophobicContact CD-CG 4.25Å; K992-P1045 HydrophobicContact CG-CG 4.46Å; P1045-N1047 PolarHBondContact O-N 3.08Å; P1045-N1047 VanDerWaalsContact O-N 3.12Å; P1045-E1048 HydrophobicContact CB-CB 4.36Å; P1045-E1048 HydrophobicContact CB-CG 4.17Å; P1045-E1048 VanDerWaalsContact CG-OE2 3.28Å; P1045-E1048 WeakPolarHBondContact CG-OE2 3.48Å; P1045-E1048 PolarHBondContact O-N 3.47Å
1046	I	77.3	Confident	78.5	Confident	59 Å²	59	64.7 Å²	64.7	30%	0.303	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-15.1	-170.4	-166.8	162.2	0	0	0	114.9	T952 K957 A959	T952-I1046 HydrophobicContact CG2-CD1 3.83Å; K957-I1046 WeakPolarHBondContact O-CB 3.47Å; K957-I1046 VanDerWaalsContact O-CG2 3.27Å; K957-I1046 WeakPolarHBondContact O-CG2 3.32Å; K957-I1046 PolarHBondContact O-N 2.91Å; A959-I1046 HydrophobicContact CB-CB 4.36Å; A959-I1046 HydrophobicContact CB-CG1 4.25Å
1047	N	75.8	Confident	75.8	Confident	148 Å²	148	73.8 Å²	73.8	79%	0.791	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	9.6	179.7	-64	9.7	0	0	0	113.2	P1045	P1045-N1047 PolarHBondContact O-N 3.08Å; P1045-N1047 VanDerWaalsContact O-N 3.12Å
1048	E	69.7	Low	74.8	Confident	77 Å²	77	76.2 Å²	76.2	36%	0.36	42%	0.42	S	S	.	.	S	Bend	trans	-127.7	125.3	-176.8	-62.8	-176.8	151.5	0	0	110.3	K992 H1044 P1045	K992-E1048 WeakPolarHBondContact CD-OE2 3.37Å; K992-E1048 VanDerWaalsContact CE-OE2 3.24Å; K992-E1048 WeakPolarHBondContact CE-OE2 3.35Å; K992-E1048 IonicContact NZ-OE1 2.82Å; K992-E1048 PolarHBondContact NZ-OE1 3.38Å; K992-E1048 IonicContact NZ-OE2 3.88Å; K992-E1048 PolarHBondContact NZ-OE2 3.47Å; H1044-E1048 PolarHBondContact CE1-O 2.77Å; H1044-E1048 PolarHBondContact ND1-O 3.49Å; P1045-E1048 HydrophobicContact CB-CB 4.36Å; P1045-E1048 HydrophobicContact CB-CG 4.17Å; P1045-E1048 VanDerWaalsContact CG-OE2 3.28Å; P1045-E1048 WeakPolarHBondContact CG-OE2 3.48Å; P1045-E1048 PolarHBondContact O-N 3.47Å
1049	D	69	Low	73.6	Confident	168 Å²	168	80.1 Å²	80.1	90%	0.898	44%	0.442	S	S	*	.			trans	-75.7	152.7	175.7	-81	-52.9	0	0	0	112.7
1050	L	70.2	Confident	72.3	Confident	57 Å²	57	82.6 Å²	82.6	30%	0.298	46%	0.458	S	S	.	.			trans	-98.7	106.2	-179	-74.9	170.5	0	0	0	111	I993 V1042 H1044	I993-L1050 HydrophobicContact CD1-CD2 3.83Å; I993-L1050 HydrophobicContact CG1-CD2 4.15Å; I993-L1050 HydrophobicContact CG2-CD2 4.19Å; V1042-L1050 HydrophobicContact CB-CD1 4.16Å; V1042-L1050 HydrophobicContact CG1-CD1 3.69Å; V1042-L1050 HydrophobicContact CG1-CD2 4.04Å; H1044-L1050 HydrophobicContact CB-CD1 4.24Å; H1044-L1050 HydrophobicContact CB-CD2 3.9Å; H1044-L1050 HydrophobicContact CB-CG 4.14Å
1051	D	69	Low	71	Confident	146 Å²	146	85.9 Å²	85.9	78%	0.781	48%	0.479	S	S	*	.			trans	-82.8	153.4	160.7	-174.9	29.2	0	0	0	111
1052	V	66.6	Low	69.6	Low	92 Å²	92	90.6 Å²	90.6	56%	0.558	50%	0.504	S	S	*	.			trans	-138.7	78.8	-178.2	-172.4	0	0	0	0	109.8
1053	S	62.9	Low	68.1	Low	103 Å²	103	95.9 Å²	95.9	72%	0.72	53%	0.534	S	S	*	.			trans	-68.4	155	170.7	59.1	0	0	0	0	112.2
1054	V	58.5	Low	66.5	Low	81 Å²	81	99.7 Å²	99.7	49%	0.491	56%	0.557	S	S	.	*			trans	-123.2	107.1	175.8	179.7	0	0	0	0	108.5
1055	S	53.9	Low	65	Low	104 Å²	104	106.4 Å²	106.4	73%	0.727	60%	0.596	S	S	*	*			trans	-73.6	124.6	165.6	57.1	0	0	0	0	109.8
1056	E	46.9	Very low	63.4	Low	117 Å²	117	112.8 Å²	112.8	55%	0.547	63%	0.63	S	S	.	*			trans	-78.3	157.7	160.2	-76.2	166.4	-159	0	0	110.4	R708 R882	R708-E1056 IonicContact CZ-OE2 3.96Å; R708-E1056 IonicContact NH1-OE2 3.4Å; R708-E1056 IonicContact NH2-OE1 2.67Å; R708-E1056 PolarHBondContact NH2-OE1 2.92Å; R708-E1056 IonicContact NH2-OE2 2.74Å; R708-E1056 PolarHBondContact NH2-OE2 3.12Å; R882-E1056 IonicContact NH2-OE1 3.8Å
1057	N	41.2	Very low	62.1	Low	202 Å²	202	117.7 Å²	117.7	100%	1.08	66%	0.659	S	S	*	*			trans	-112.8	0	-175	-75.2	-57.3	0	0	0	110.7

Retrieved 1,057 of 1,057 residues in 157.1 ms (Link to these results)

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