A0A087XYW4_POEFO Loading...

Transmembrane protein 8B

AlphaFold DB , UniProt , Accession A0A087XYW4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 843 aa.

						>A0A087XYW4_POEFO|A0A087XYW4
MTSCTNSWSLADNQKKCRPAERLRPAAGLEPPSQRVRLLTMLQLEGRGSGCSPPRLLLLVYTFFCAVGDCLFVTDYFTRTPRKLNAFNSFASVELFHFNVPEDTMMAVWNLITFKEQGGTFGDSCPNRNVTVYFRSGAPPVINPLYTRFPRDTVVPGSFAVTLTWTLPNRTTGAFNVTSPLPGDWFLAAHLPKDEGKISVKGLSEECQYLFQPQLIVQKLIGISVLYPGYFIDQMIPIHNRSALYKVFIPNYISKVKVQLVNCSTKNKSSDTCPVVLKMRARAPPVHNSSALDCREWNPCELVTLVPAWEQWYYILIERYLSNSDVYFRIGVQVTDCSKPSSSKDRAQSSSSMNMPQSFGTAMGFSLSDTLLMASLPGLAQNASHLHTSEDSIIYLAPTADTNKCWPIRPTLRNELDTFSVHFYVFFGPNISIPPDRAAVFAINLMPVLDSGGVLNMELKLNLSTLKGANLTVFGCLNHGMPLFLRENSSLKCDSESVAGFFLSVNVSSNITKLRIPYPQTGTWYLSLRSLCATEHGFEACTNVTAEVYMRAYLTPCINDCGTYGQCKLLRTNNYLYAACECKAGWNGWGCTDNSEAYSYSFQLLSTLLLCLSNLMFVPPVAIAIRSHYLLEASVYIFTMFFSTFYHACDQPGIVVFCIMEYDVLQFCDFLGSLMSVWVTVIAMARLKSIIKQVLYLLGAMSLSMALQLDRHGLWNLLGPSLFALGIMAVAWTVRTIRRRRCYPPTWKRWVFFLFPGTMIATSAVALYAFVETEENYFYIHSIWHMLIAGSVGFLLPPRAKPDAKVTPLKRKRGCGYQLCVNEHEELGLVDPGIITINSICTS
					

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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	29.6	Very low	23.8	Very low	232 Å²	232	140.3 Å²	140.3	100%	1.143	81%	0.808	S	S	*	*				0	78.5	0	-77.7	168	165.2	0	0	107.1
2	T	23.5	Very low	23.9	Very low	139 Å²	139	142.4 Å²	142.4	85%	0.853	82%	0.815	S	S	*	*				55.1	120.8	81.2	57.5	0	0	0	0	112.2
3	S	23.1	Very low	23.9	Very low	107 Å²	107	142.7 Å²	142.7	75%	0.748	81%	0.812	S	S	*	*				-168.8	131.1	59.4	177.6	0	0	0	0	109.1
4	C	22.1	Very low	23.9	Very low	111 Å²	111	145.8 Å²	145.8	75%	0.75	82%	0.816	S	S	*	*				64.3	116	73.1	-77.9	0	0	0	0	116.5
5	T	24.8	Very low	23.9	Very low	129 Å²	129	150 Å²	150	79%	0.791	82%	0.823	S	S	*	*				-179	109.9	122.8	42.9	0	0	0	0	109.7
6	N	24.8	Very low	23.8	Very low	159 Å²	159	151.8 Å²	151.8	85%	0.85	82%	0.819	S	S	*	*				63	133.8	96.5	-73	-10	0	0	0	114.6
7	S	22.1	Very low	23.8	Very low	92 Å²	92	150.8 Å²	150.8	64%	0.643	83%	0.825	S	S	*	*			cis	-168.7	154.9	28.8	42	0	0	0	0	108
8	W	22.2	Very low	23.8	Very low	229 Å²	229	155.1 Å²	155.1	87%	0.867	83%	0.827	S	S	*	*				-175.3	135.8	83.4	-94.5	78.8	0	0	0	113
9	S	21.4	Very low	23.9	Very low	93 Å²	93	153.4 Å²	153.4	65%	0.65	83%	0.826	S	S	*	*			trans	69.1	140.8	140	69.7	0	0	0	0	125.9
10	L	24	Very low	23.8	Very low	161 Å²	161	150.6 Å²	150.6	84%	0.843	83%	0.825	S	S	*	*			trans	97.1	82.5	160.7	-70.9	130.3	0	0	0	116.2
11	A	24.4	Very low	23.7	Very low	91 Å²	91	152.5 Å²	152.5	75%	0.752	83%	0.828	S	S	*	*				76.6	84.6	74.9	0	0	0	0	0	113.4
12	D	24.4	Very low	23.5	Very low	166 Å²	166	153.1 Å²	153.1	89%	0.888	82%	0.818	S	S	*	*			trans	-79.2	122.5	166.7	-160.1	-0.2	0	0	0	108.8
13	N	24.3	Very low	23.5	Very low	146 Å²	146	154.7 Å²	154.7	78%	0.781	82%	0.82	S	S	*	*			trans	-136.3	98.6	-174.4	-134.2	-6	0	0	0	110.3	K15	N13-K15 PolarHBondContact O-N 3.25Å
14	Q	23.6	Very low	23.6	Very low	186 Å²	186	160.8 Å²	160.8	87%	0.869	83%	0.826	S	S	*	*			trans	-48.1	118.8	161.1	-75	173.8	-28.7	0	0	110.8
15	K	24.6	Very low	23.7	Very low	209 Å²	209	161.9 Å²	161.9	91%	0.909	83%	0.832	S	S	*	*			trans	-95.2	107.3	164.3	-88.7	-175	177.9	178	0	111.1	N13	N13-K15 PolarHBondContact O-N 3.25Å
16	K	22.6	Very low	23.6	Very low	178 Å²	178	160.4 Å²	160.4	77%	0.774	83%	0.833	S	S	*	*			trans	-43	135.2	154.6	-81.8	161.7	165.2	159.4	0	112.6
17	C	22.5	Very low	23.7	Very low	136 Å²	136	157.3 Å²	157.3	92%	0.919	83%	0.83	S	S	*	*			trans	-110.3	127.9	137.9	-80.5	0	0	0	0	107.9
18	R	23.9	Very low	23.8	Very low	227 Å²	227	156.8 Å²	156.8	86%	0.857	84%	0.838	S	S	*	*			trans	-78.6	163.1	-172.3	-92.3	-170.6	-166.5	-177.6	4.3	113.2
19	P	25.8	Very low	23.9	Very low	124 Å²	124	154 Å²	154	81%	0.805	84%	0.84	S	S	*	*			trans	-97.4	142.5	-174.5	37.1	-29.9	0	0	0	113.8
20	A	21.8	Very low	24.1	Very low	97 Å²	97	158 Å²	158	80%	0.802	85%	0.848	S	S	*	*			trans	-171.7	136.8	155.4	0	0	0	0	0	104
21	E	22.8	Very low	24.2	Very low	190 Å²	190	156 Å²	156	89%	0.888	84%	0.844	S	S	*	*			cis	-162.7	155.7	16.5	-154.4	164.8	-166.4	0	0	106.9	L23	E21-L23 PolarHBondContact O-N 3.21Å
22	R	25	Very low	24.3	Very low	246 Å²	246	157.2 Å²	157.2	93%	0.928	85%	0.845	S	S	*	*			trans	-75.3	114.3	-170.6	-175.1	-175.2	-80.8	-168.1	-6.6	111.4
23	L	23.7	Very low	24.3	Very low	171 Å²	171	154.6 Å²	154.6	90%	0.895	84%	0.84	S	S	*	*			trans	-136	138.2	164.1	-92.5	152.1	0	0	0	110.9	E21	E21-L23 PolarHBondContact O-N 3.21Å
24	R	25.5	Very low	24.3	Very low	235 Å²	235	156.2 Å²	156.2	89%	0.887	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-60.7	157.2	-166.1	-66.9	174.6	-176.2	172.6	0.3	114.6	A26	R24-A26 PolarHBondContact O-N 3.35Å
25	P	23.6	Very low	24.3	Very low	134 Å²	134	157.4 Å²	157.4	87%	0.87	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-74.1	125.4	177.6	30.3	-32	0	0	0	111.3
26	A	23.7	Very low	24.3	Very low	99 Å²	99	153.2 Å²	153.2	82%	0.818	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-86.2	133.6	164.2	0	0	0	0	0	109.1	R24 G28	R24-A26 PolarHBondContact O-N 3.35Å; A26-G28 PolarHBondContact O-N 3.27Å
27	A	26.1	Very low	24.3	Very low	94 Å²	94	154.3 Å²	154.3	78%	0.777	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-55.3	131	-179.4	0	0	0	0	0	112.1	L29	A27-L29 PolarHBondContact O-N 3.29Å
28	G	23.6	Very low	24.3	Very low	80 Å²	80	155.2 Å²	155.2	83%	0.825	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-68.3	123.6	173.8	0	0	0	0	0	111	A26	A26-G28 PolarHBondContact O-N 3.27Å
29	L	23.9	Very low	24.4	Very low	171 Å²	171	151.4 Å²	151.4	90%	0.895	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-75.5	123.1	166.5	-89.1	91.5	0	0	0	109.8	A27	A27-L29 PolarHBondContact O-N 3.29Å
30	E	26.9	Very low	24.4	Very low	176 Å²	176	151.5 Å²	151.5	82%	0.822	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-64.6	147.6	158.7	-70.3	176.4	136.8	0	0	110.7
31	P	25	Very low	24.5	Very low	119 Å²	119	155.6 Å²	155.6	77%	0.773	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-72.8	140.1	171.7	29.7	-30.9	0	0	0	110.5	S33	P31-S33 PolarHBondContact O-N 2.97Å
32	P	27	Very low	24.6	Very low	117 Å²	117	154 Å²	154	76%	0.76	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-77.5	129.9	-169.7	30.6	-32.4	0	0	0	111.5	Q34	P32-Q34 PolarHBondContact O-N 3.34Å; P32-Q34 VanDerWaalsContact O-N 3.09Å
33	S	24.4	Very low	24.6	Very low	112 Å²	112	150.6 Å²	150.6	78%	0.783	82%	0.815	S	S	*	*			trans	-56.6	108.2	157.3	176.5	0	0	0	0	108.7	P31 R35	P31-S33 PolarHBondContact O-N 2.97Å; S33-R35 VanDerWaalsContact C-N 3.32Å; S33-R35 PolarHBondContact O-N 2.69Å
34	Q	23.9	Very low	24.7	Very low	180 Å²	180	150.1 Å²	150.1	84%	0.841	81%	0.813	S	S	*	*			trans	-69.7	89.8	174.3	-105.4	177.5	-9.6	0	0	109.6	P32 V36	P32-Q34 PolarHBondContact O-N 3.34Å; P32-Q34 VanDerWaalsContact O-N 3.09Å; Q34-V36 PolarHBondContact O-N 3.31Å
35	R	24.1	Very low	24.8	Very low	210 Å²	210	148 Å²	148	79%	0.792	81%	0.813	S	S	*	*			trans	-86.8	89.6	170.1	-145.3	-178	-140.8	-176.7	6	108	S33 R37	S33-R35 VanDerWaalsContact C-N 3.32Å; S33-R35 PolarHBondContact O-N 2.69Å; R35-R37 PolarHBondContact O-N 3.39Å
36	V	23.5	Very low	25	Very low	121 Å²	121	145.4 Å²	145.4	73%	0.733	81%	0.81	S	S	*	*			trans	-72.3	97.4	173.7	-179.3	0	0	0	0	108.3	Q34	Q34-V36 PolarHBondContact O-N 3.31Å
37	R	22.9	Very low	25.3	Very low	202 Å²	202	153 Å²	153	76%	0.762	82%	0.818	S	S	*	*			trans	-83.8	103.9	163.7	-91.3	-175.8	177.2	-178.4	-0.9	107.9	R35 L39	R35-R37 PolarHBondContact O-N 3.39Å; R37-L39 PolarHBondContact O-N 3.44Å
38	L	23.3	Very low	25.4	Very low	154 Å²	154	152.1 Å²	152.1	81%	0.806	82%	0.818	S	S	*	*			trans	-79.8	99.3	165.9	-145.8	84.3	0	0	0	107.7
39	L	25.3	Very low	25.8	Very low	148 Å²	148	154.3 Å²	154.3	78%	0.775	82%	0.82	S	S	*	*			trans	-92.2	111.1	167	-105.4	140.2	0	0	0	107.3	R37 M41	R37-L39 PolarHBondContact O-N 3.44Å; L39-M41 PolarHBondContact O-N 2.85Å
40	T	26	Very low	26.5	Very low	126 Å²	126	149.4 Å²	149.4	77%	0.773	81%	0.812	S	S	*	*			trans	-68	109.2	172.1	23.4	0	0	0	0	109.7
41	M	23.9	Very low	26.6	Very low	183 Å²	183	147.2 Å²	147.2	90%	0.901	81%	0.814	S	S	*	*			trans	-75.7	112.9	166.1	-84.4	-81.4	-144.8	0	0	109.1	L39	L39-M41 PolarHBondContact O-N 2.85Å
42	L	25.2	Very low	27	Very low	156 Å²	156	146.6 Å²	146.6	82%	0.817	81%	0.813	S	S	*	*			trans	-92.6	105.4	163	-107	151.1	0	0	0	107.6
43	Q	24.2	Very low	28.1	Very low	175 Å²	175	146.8 Å²	146.8	82%	0.818	81%	0.814	S	S	*	*			trans	-87.8	108.5	176.8	-162.9	167.3	-13.6	0	0	107.8
44	L	26.8	Very low	29.1	Very low	161 Å²	161	146.7 Å²	146.7	84%	0.843	81%	0.811	S	S	*	*			trans	-108.6	111.5	168.7	-120	103.6	0	0	0	108.5
45	E	27.3	Very low	29.9	Very low	190 Å²	190	148.5 Å²	148.5	89%	0.888	81%	0.81	S	S	*	*			trans	-92.6	119.7	173.6	-142.9	169.8	-169	0	0	108.3
46	G	27.6	Very low	30.8	Very low	79 Å²	79	145.2 Å²	145.2	81%	0.814	81%	0.807	S	S	*	*			trans	-165.1	114.9	-179.8	0	0	0	0	0	111.3
47	R	29.5	Very low	31.8	Very low	260 Å²	260	146 Å²	146	98%	0.981	81%	0.807	S	S	*	*			trans	-90.4	134.6	-164.2	-160	175	-172.3	-172.4	2.3	111.3
48	G	29.6	Very low	32.8	Very low	75 Å²	75	142.5 Å²	142.5	77%	0.773	80%	0.802	S	S	*	*			trans	115.5	119.4	144.7	0	0	0	0	0	119.9
49	S	30.9	Very low	33.8	Very low	125 Å²	125	140.4 Å²	140.4	87%	0.874	79%	0.791	S	S	*	*			trans	81.4	99.2	143.5	-173.2	0	0	0	0	121.4
50	G	39.3	Very low	34.8	Very low	69 Å²	69	137 Å²	137	71%	0.711	78%	0.776	S	S	*	*				54.6	104.2	126.8	0	0	0	0	0	121.7
51	C	28.3	Very low	35.3	Very low	130 Å²	130	139.5 Å²	139.5	88%	0.878	77%	0.773	S	S	*	*				163.7	128.9	124.5	-95.7	0	0	0	0	113.3
52	S	33.5	Very low	35.9	Very low	106 Å²	106	134.7 Å²	134.7	74%	0.741	75%	0.754	S	S	*	*			trans	41.2	122.1	156.1	63.8	0	0	0	0	122.3
53	P	51.3	Low	36.3	Very low	121 Å²	121	134.9 Å²	134.9	79%	0.786	75%	0.748	S	S	*	*			trans	-97.8	125.8	162.5	34.6	-23.8	0	0	0	110.4
54	P	44.9	Very low	36.7	Very low	110 Å²	110	134.8 Å²	134.8	71%	0.714	75%	0.745	S	S	*	*	S	Bend		-156.4	21.8	109.3	38.1	-17.5	0	0	0	115.2
55	R	39.8	Very low	36.9	Very low	218 Å²	218	132.1 Å²	132.1	82%	0.823	74%	0.739	S	S	*	*	S	Bend	trans	-102.8	-22.6	179.5	-78.6	-173.1	172.9	-179.6	-1.4	114.9
56	L	43.8	Very low	37.3	Very low	140 Å²	140	127 Å²	127	73%	0.733	73%	0.729	S	S	*	*	H	α-helix	trans	-77.3	-32.7	-179	-146	79.5	0	0	0	112.6	L58 L59 V60	L56-L58 PolarHBondContact O-N 3Å; L56-L59 PolarHBondContact O-N 3.35Å; L56-V60 WeakPolarHBondContact O-CG2 3.43Å; L56-V60 PolarHBondContact O-N 3.31Å
57	L	44.6	Very low	37.6	Very low	139 Å²	139	127 Å²	127	73%	0.728	71%	0.714	S	S	*	*	H	α-helix	trans	-68.9	-34.2	179.9	-126.1	109.8	0	0	0	112.3	Y61	L57-Y61 WeakPolarHBondContact O-CB 2.98Å; L57-Y61 PolarHBondContact O-N 3.37Å
58	L	43.9	Very low	38.2	Very low	128 Å²	128	117.6 Å²	117.6	67%	0.67	70%	0.697	S	S	*	*	H	α-helix	trans	-70.6	-38.1	176.7	-151.8	82.9	0	0	0	111.1	L56 Y61 T62	L56-L58 PolarHBondContact O-N 3Å; L58-Y61 PolarHBondContact O-N 3.43Å; L58-T62 WeakPolarHBondContact O-CG2 3.3Å; L58-T62 PolarHBondContact O-N 2.87Å; L58-T62 PolarHBondContact O-OG1 2.92Å
59	L	43.8	Very low	39.1	Very low	110 Å²	110	119 Å²	119	58%	0.576	69%	0.687	S	S	*	*	H	α-helix	trans	-65.5	-40.5	175.7	-102.4	154	0	0	0	112.1	L56 T62 F63	L56-L59 PolarHBondContact O-N 3.35Å; L59-T62 WeakPolarHBondContact CA-OG1 3.47Å; L59-T62 PolarHBondContact O-N 3.05Å; L59-T62 PolarHBondContact O-OG1 2.92Å; L59-F63 VanDerWaalsContact O-CB 3.3Å; L59-F63 WeakPolarHBondContact O-CB 2.86Å; L59-F63 PolarHBondContact O-N 3.09Å
60	V	46.1	Very low	40.2	Very low	76 Å²	76	116.7 Å²	116.7	46%	0.461	67%	0.67	S	S	.	*	H	α-helix	trans	-67	-40.7	174.5	175.8	0	0	0	0	110.9	L56 F63 F64	L56-V60 WeakPolarHBondContact O-CG2 3.43Å; L56-V60 PolarHBondContact O-N 3.31Å; V60-F63 PolarHBondContact O-N 2.92Å; V60-F64 HydrophobicContact CG1-CD2 3.79Å; V60-F64 HydrophobicContact CG1-CE2 3.83Å; V60-F64 VanDerWaalsContact O-CD2 3.29Å; V60-F64 WeakPolarHBondContact O-CD2 3.35Å; V60-F64 PolarHBondContact O-N 3.22Å
61	Y	36.3	Very low	42.1	Very low	179 Å²	179	119.4 Å²	119.4	70%	0.702	67%	0.667	S	S	*	*	H	α-helix	trans	-67.2	-36.2	176.4	-135.6	-90.5	0	0	0	112.6	L57 L58 C65	L57-Y61 WeakPolarHBondContact O-CB 2.98Å; L57-Y61 PolarHBondContact O-N 3.37Å; L58-Y61 PolarHBondContact O-N 3.43Å; Y61-C65 PolarHBondContact O-N 2.88Å
62	T	38	Very low	44.8	Very low	81 Å²	81	117.5 Å²	117.5	50%	0.497	64%	0.644	S	S	.	*	H	α-helix	trans	-74.7	-28.6	174	49.8	0	0	0	0	113.3	L58 L59 C65 A66	L58-T62 WeakPolarHBondContact O-CG2 3.3Å; L58-T62 PolarHBondContact O-N 2.87Å; L58-T62 PolarHBondContact O-OG1 2.92Å; L59-T62 WeakPolarHBondContact CA-OG1 3.47Å; L59-T62 PolarHBondContact O-N 3.05Å; L59-T62 PolarHBondContact O-OG1 2.92Å; T62-C65 PolarHBondContact O-N 3.01Å; T62-A66 PolarHBondContact O-N 3.36Å
63	F	32.2	Very low	47.6	Very low	161 Å²	161	115.3 Å²	115.3	71%	0.706	63%	0.626	S	S	*	*	H	α-helix	trans	-74.7	-32	176.2	-148.1	-95.9	0	0	0	111.8	L59 V60 C65	L59-F63 VanDerWaalsContact O-CB 3.3Å; L59-F63 WeakPolarHBondContact O-CB 2.86Å; L59-F63 PolarHBondContact O-N 3.09Å; V60-F63 PolarHBondContact O-N 2.92Å; F63-C65 VanDerWaalsContact C-N 3.33Å
64	F	34.2	Very low	49.6	Very low	172 Å²	172	112.4 Å²	112.4	75%	0.754	61%	0.606	S	S	*	*	H	α-helix	trans	-76.6	-15.2	171.9	-84.5	-72.8	0	0	0	114.2	V60	V60-F64 HydrophobicContact CG1-CD2 3.79Å; V60-F64 HydrophobicContact CG1-CE2 3.83Å; V60-F64 VanDerWaalsContact O-CD2 3.29Å; V60-F64 WeakPolarHBondContact O-CD2 3.35Å; V60-F64 PolarHBondContact O-N 3.22Å
65	C	30.9	Very low	51.8	Low	106 Å²	106	109.6 Å²	109.6	72%	0.716	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	-0.9	175.5	-82.6	0	0	0	0	114.6	Y61 T62 F63	Y61-C65 PolarHBondContact O-N 2.88Å; T62-C65 PolarHBondContact O-N 3.01Å; F63-C65 VanDerWaalsContact C-N 3.33Å
66	A	33.9	Very low	54.4	Low	81 Å²	81	107.3 Å²	107.3	67%	0.669	58%	0.578	S	S	*	*	S	Bend	trans	-112.8	26	-175.1	0	0	0	0	0	113.8	T62	T62-A66 PolarHBondContact O-N 3.36Å
67	V	35.7	Very low	56.8	Low	81 Å²	81	104.7 Å²	104.7	49%	0.491	56%	0.561	S	S	.	*			trans	-122.8	85.2	175.3	-173.3	0	0	0	0	107.9	D69	V67-D69 HydrophobicContact CG1-CB 3.43Å; V67-D69 VanDerWaalsContact CG1-CB 3.43Å; V67-D69 WeakPolarHBondContact CG1-OD2 3.36Å; V67-D69 PolarHBondContact O-N 3.03Å
68	G	42.2	Very low	59.1	Low	62 Å²	62	102 Å²	102	64%	0.639	55%	0.55	S	S	*	*			trans	-72.8	58.4	161.2	0	0	0	0	0	109.7	N240	G68-N240 PolarHBondContact O-ND2 2.92Å
69	D	46.8	Very low	61.4	Low	105 Å²	105	100 Å²	100	56%	0.561	53%	0.534	S	S	*	.			trans	-96.8	124.7	174.2	-72.9	-13.4	0	0	0	108.7	V67 L71	V67-D69 HydrophobicContact CG1-CB 3.43Å; V67-D69 VanDerWaalsContact CG1-CB 3.43Å; V67-D69 WeakPolarHBondContact CG1-OD2 3.36Å; V67-D69 PolarHBondContact O-N 3.03Å; D69-L71 PolarHBondContact O-N 2.84Å
70	C	54.5	Low	63.6	Low	75 Å²	75	98.6 Å²	98.6	51%	0.507	53%	0.53	S	S	.	.			trans	-39.3	106	161.8	-77.6	0	0	0	0	111.6	F72 L220	C70-F72 HydrophobicContact CB-CE2 4.31Å; C70-F72 HydrophobicContact CB-CZ 4.49Å; C70-F72 WeakPolarHBondContact O-CD2 3.48Å; C70-F72 PolarHBondContact O-N 3.02Å; C70-L220 HydrophobicContact CB-CD1 3.38Å
71	L	79.3	Confident	65.8	Low	126 Å²	126	97.6 Å²	97.6	66%	0.66	53%	0.525	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75	118.3	175.5	-79.9	157.2	0	0	0	108.9	D69 I221	D69-L71 PolarHBondContact O-N 2.84Å; L71-I221 HydrophobicContact CB-CB 4.43Å; L71-I221 WeakPolarHBondContact O-CB 3.34Å; L71-I221 PolarHBondContact O-N 3.39Å
72	F	85.6	Confident	68.4	Low	91 Å²	91	93.6 Å²	93.6	40%	0.399	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	137.3	172.9	-65.5	-82.9	0	0	0	110.7	C70 M105 Q218 K219 L220	C70-F72 HydrophobicContact CB-CE2 4.31Å; C70-F72 HydrophobicContact CB-CZ 4.49Å; C70-F72 WeakPolarHBondContact O-CD2 3.48Å; C70-F72 PolarHBondContact O-N 3.02Å; F72-M105 HydrophobicContact CE1-CB 4.46Å; F72-M105 HydrophobicContact CE1-CE 3.94Å; F72-M105 HydrophobicContact CZ-CE 4.21Å; F72-Q218 HydrophobicContact CB-CG 4.09Å; F72-Q218 HydrophobicContact CD1-CG 3.88Å; F72-Q218 HydrophobicContact CG-CG 4.31Å; F72-K219 CarbonylContact C-O 3.53Å; F72-K219 VanDerWaalsContact CA-O 3.29Å; F72-K219 WeakPolarHBondContact CA-O 3.5Å; F72-L220 HydrophobicContact CD1-CD1 4.38Å; F72-L220 HydrophobicContact CE1-CD1 4.07Å; F72-L220 HydrophobicContact CZ-CD1 4.33Å
73	V	91.1	Very high	71	Confident	59 Å²	59	93.7 Å²	93.7	36%	0.358	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	133.5	170.3	168.1	0	0	0	0	109.5	K219 I221	V73-K219 PolarHBondContact N-O 2.88Å; V73-K219 PolarHBondContact O-N 2.84Å; V73-I221 HydrophobicContact CB-CD1 3.78Å; V73-I221 HydrophobicContact CB-CG1 4.4Å; V73-I221 HydrophobicContact CG2-CD1 3.21Å; V73-I221 HydrophobicContact CG2-CG1 4.14Å
74	T	93.6	Very high	73.8	Confident	60 Å²	60	86.2 Å²	86.2	37%	0.368	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	120.6	179.8	-50.9	0	0	0	0	110.1	Y76 I216 V217	T74-Y76 HydrophobicContact CG2-CD2 4.21Å; T74-Y76 HydrophobicContact CG2-CE2 3.51Å; T74-I216 HydrophobicContact CG2-CG2 3.62Å; T74-V217 CarbonylContact C-O 3.56Å; T74-V217 VanDerWaalsContact CA-O 3.26Å; T74-V217 WeakPolarHBondContact CA-O 3.34Å
75	D	92.3	Very high	76.4	Confident	52 Å²	52	81.2 Å²	81.2	28%	0.278	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	144.2	174.3	-68	-37.7	0	0	0	110.3	F77 I216 V217 K219	D75-F77 HydrophobicContact CB-CE2 3.67Å; D75-F77 HydrophobicContact CB-CZ 3.94Å; D75-I216 WeakPolarHBondContact O-CA 3.49Å; D75-V217 PolarHBondContact N-O 2.98Å; D75-V217 PolarHBondContact O-N 3.49Å; D75-K219 WeakPolarHBondContact OD2-CD 3.36Å
76	Y	94.4	Very high	79.2	Confident	170 Å²	170	77 Å²	77	67%	0.667	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.1	127.8	-178.7	-68.4	-96.8	0	0	0	110.5	T74 I216	T74-Y76 HydrophobicContact CG2-CD2 4.21Å; T74-Y76 HydrophobicContact CG2-CE2 3.51Å; Y76-I216 HydrophobicContact CD1-CB 4.33Å; Y76-I216 HydrophobicContact CD1-CD1 4.18Å; Y76-I216 HydrophobicContact CD1-CG1 3.69Å; Y76-I216 HydrophobicContact CD1-CG2 4.02Å; Y76-I216 HydrophobicContact CE1-CB 4.27Å; Y76-I216 HydrophobicContact CE1-CD1 3.78Å; Y76-I216 HydrophobicContact CE1-CG1 3.74Å; Y76-I216 HydrophobicContact CE1-CG2 3.63Å
77	F	93.5	Very high	81.8	Confident	84 Å²	84	73.7 Å²	73.7	37%	0.368	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	138.3	178.6	-54.6	-85.1	0	0	0	110	D75 F98 Q214 L215 V217	D75-F77 HydrophobicContact CB-CE2 3.67Å; D75-F77 HydrophobicContact CB-CZ 3.94Å; F77-F98 HydrophobicContact CB-CD1 4.22Å; F77-F98 HydrophobicContact CB-CE1 4.36Å; F77-Q214 CarbonylContact O-C 3.54Å; F77-Q214 WeakPolarHBondContact O-CA 3.2Å; F77-L215 HydrophobicContact CB-CB 4.24Å; F77-L215 HydrophobicContact CD2-CD2 4.1Å; F77-L215 HydrophobicContact CD2-CG 4.22Å; F77-L215 PolarHBondContact N-O 3.22Å; F77-L215 PolarHBondContact O-N 2.91Å; F77-V217 HydrophobicContact CD2-CG2 4.15Å; F77-V217 HydrophobicContact CE2-CB 4.48Å; F77-V217 HydrophobicContact CE2-CG2 3.94Å
78	T	93.3	Very high	84.1	Confident	83 Å²	83	73.8 Å²	73.8	51%	0.509	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	147.7	178.7	-174.5	0	0	0	0	110.5	Q212	T78-Q212 PolarHBondContact OG1-NE2 3.38Å
79	R	92	Very high	86.2	Confident	85 Å²	85	71.4 Å²	71.4	32%	0.321	37%	0.366	S	S	.	.			trans	-112.8	156.6	170.4	-63	-59.4	-172.2	-175.1	2.6	109.9	F96 H97 F98 Q212 P213	R79-F96 HydrophobicContact CB-CD1 4.05Å; R79-F96 HydrophobicContact CG-CD1 4.49Å; R79-H97 PolarHBondContact NE-O 2.95Å; R79-H97 PolarHBondContact NH2-O 3.16Å; R79-F98 HydrophobicContact CB-CZ 4.28Å; R79-F98 HydrophobicContact CG-CE1 3.76Å; R79-F98 HydrophobicContact CG-CE2 4.06Å; R79-F98 HydrophobicContact CG-CZ 3.46Å; R79-F98 VanDerWaalsContact CG-CZ 3.46Å; R79-Q212 WeakPolarHBondContact O-CG 3.49Å; R79-Q212 PolarHBondContact O-NE2 3.45Å; R79-P213 HydrophobicContact CB-CG 4.3Å; R79-P213 PolarHBondContact N-O 3.48Å
80	T	90.6	Very high	88.3	Confident	81 Å²	81	66.9 Å²	66.9	50%	0.497	34%	0.341	S	S	.	.			trans	-67.9	145.6	177.1	52.7	0	0	0	0	110.5
81	P	91.5	Very high	89.8	Confident	56 Å²	56	64.3 Å²	64.3	36%	0.364	33%	0.325	S	S	.	.			trans	-60.3	139.5	174.2	24.8	-32.2	0	0	0	111	F114 L210 F211 Q212	P81-F114 HydrophobicContact CB-CE1 4.04Å; P81-F114 HydrophobicContact CB-CZ 3.7Å; P81-F114 HydrophobicContact CG-CZ 4.24Å; P81-L210 HydrophobicContact CB-CB 4.48Å; P81-F211 WeakPolarHBondContact CA-O 3.36Å; P81-Q212 HydrophobicContact CB-CB 4.17Å
82	R	91.4	Very high	90.3	Very high	95 Å²	95	59.3 Å²	59.3	36%	0.358	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	146.6	175	-63.8	-68.6	-173.8	172.2	-0.1	110.7	E94 F96 L210 F211 N573	R82-E94 HydrophobicContact CB-CG 4.47Å; R82-F96 HydrophobicContact CB-CE1 4.24Å; R82-F96 HydrophobicContact CB-CZ 3.85Å; R82-F96 HydrophobicContact CG-CE1 3.82Å; R82-F96 HydrophobicContact CG-CZ 3.92Å; R82-L210 WeakPolarHBondContact O-CA 3.48Å; R82-F211 PolarHBondContact N-O 3.24Å; R82-F211 PolarHBondContact O-N 3.25Å; R82-N573 PolarHBondContact NH2-OD1 3.35Å
83	K	91.5	Very high	90.6	Very high	82 Å²	82	55 Å²	55	36%	0.357	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	127.5	175.2	-179.5	-179.2	175.7	-178.9	0	108.8	E94 Y209 L210	K83-E94 VanDerWaalsContact O-CG 3.3Å; K83-E94 WeakPolarHBondContact O-CG 3.26Å; K83-Y209 WeakPolarHBondContact CA-O 3.36Å; K83-L210 HydrophobicContact CB-CD2 4.11Å
84	L	91.3	Very high	90.7	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.021	27%	0.274	C	S	.	.			trans	-87.9	142.4	173.7	-61.5	-176.9	0	0	0	110.6	E94 V130 A189 L191 Y209 F211	L84-E94 HydrophobicContact CD2-CB 3.93Å; L84-E94 HydrophobicContact CD2-CG 3.99Å; L84-V130 HydrophobicContact CD1-CB 4.29Å; L84-V130 HydrophobicContact CD1-CG1 3.49Å; L84-V130 VanDerWaalsContact CD1-CG1 3.49Å; L84-V130 HydrophobicContact CD1-CG2 3.74Å; L84-A189 HydrophobicContact CD2-CB 3.8Å; L84-L191 HydrophobicContact CB-CD1 4.05Å; L84-L191 HydrophobicContact CB-CG 3.85Å; L84-L191 HydrophobicContact CD1-CG 4.48Å; L84-L191 WeakPolarHBondContact O-CD1 3.39Å; L84-Y209 PolarHBondContact N-O 3.19Å; L84-F211 HydrophobicContact CD1-CB 3.72Å; L84-F211 HydrophobicContact CD1-CG 4.44Å; L84-F211 HydrophobicContact CD2-CB 3.87Å; L84-F211 HydrophobicContact CG-CB 3.78Å
85	N	89.4	Confident	90.7	Very high	67 Å²	67	51.4 Å²	51.4	36%	0.358	26%	0.257	S	S	.	.			trans	-108.1	157.3	172.4	-59.7	-45.4	0	0	0	110.2	L191	N85-L191 WeakPolarHBondContact O-CB 3.32Å; N85-L191 PolarHBondContact O-N 3.46Å
86	A	88.6	Confident	90.7	Very high	18 Å²	18	49.2 Å²	49.2	15%	0.149	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-62.9	138.3	170.4	0	0	0	0	0	110.7	N88 S92 P192 D194	A86-N88 PolarHBondContact O-N 2.98Å; A86-S92 WeakPolarHBondContact O-CB 3.35Å; A86-S92 PolarHBondContact O-OG 3.47Å; A86-P192 WeakPolarHBondContact CA-O 3.49Å; A86-P192 VanDerWaalsContact CB-O 3.25Å; A86-P192 WeakPolarHBondContact CB-O 3.47Å; A86-D194 HydrophobicContact CB-CB 3.93Å; A86-D194 VanDerWaalsContact CB-CG 3.48Å; A86-D194 WeakPolarHBondContact CB-OD2 3.48Å
87	F	89.1	Confident	90.6	Very high	11 Å²	11	43.4 Å²	43.4	5%	0.048	22%	0.224	C	C	.	.			trans	-71.5	118.3	-177.4	-172.4	-82.7	0	0	0	111.1	S92 V93 I142 P144 L145 H190 L191	F87-S92 WeakPolarHBondContact CA-OG 3.31Å; F87-V93 HydrophobicContact CD2-CG2 3.68Å; F87-V93 HydrophobicContact CE2-CG2 3.52Å; F87-I142 HydrophobicContact CD2-CD1 4.47Å; F87-I142 HydrophobicContact CE2-CD1 3.84Å; F87-I142 HydrophobicContact CE2-CG1 4.22Å; F87-P144 HydrophobicContact CD1-CG 3.51Å; F87-P144 HydrophobicContact CD2-CG 3.72Å; F87-P144 HydrophobicContact CE1-CG 3.39Å; F87-P144 HydrophobicContact CE2-CG 3.58Å; F87-P144 HydrophobicContact CG-CG 3.68Å; F87-P144 HydrophobicContact CZ-CG 3.42Å; F87-P144 VanDerWaalsContact CZ-CG 3.42Å; F87-L145 HydrophobicContact CD1-CD1 3.75Å; F87-L145 HydrophobicContact CD1-CD2 4.35Å; F87-L145 HydrophobicContact CD1-CG 3.7Å; F87-L145 HydrophobicContact CE1-CD1 3.81Å; F87-L145 HydrophobicContact CE1-CG 3.78Å; F87-H190 HydrophobicContact CB-CB 4.24Å; F87-H190 WeakPolarHBondContact CB-ND1 3.38Å; F87-H190 HydrophobicContact CD2-CB 4.09Å; F87-H190 AromaticContact CD2-CD2 3.85Å; F87-H190 AromaticContact CD2-CG 3.72Å; F87-H190 AromaticContact CD2-ND1 3.94Å; F87-H190 AromaticContact CG-ND1 3.99Å; F87-L191 VanDerWaalsContact CB-O 3.3Å; F87-L191 WeakPolarHBondContact CB-O 3.39Å; F87-L191 PolarHBondContact N-O 2.95Å
88	N	84.2	Confident	90.6	Very high	84 Å²	84	39.5 Å²	39.5	45%	0.449	21%	0.207	S	C	.	.	S	Bend	trans	-117.1	-62.1	169.6	-175.5	4.9	0	0	0	110	A86 S92	A86-N88 PolarHBondContact O-N 2.98Å; N88-S92 PolarHBondContact N-OG 3.22Å
89	S	87.3	Confident	90.6	Very high	12 Å²	12	39.6 Å²	39.6	8%	0.084	20%	0.204	C	C	.	.	S	Bend	trans	-127.5	176.7	170.4	83.6	0	0	0	0	111	A91 S92 C580	S89-A91 PolarHBondContact O-N 3.05Å; S89-A91 WeakPolarHBondContact OG-CB 3.34Å; S89-A91 PolarHBondContact OG-N 2.97Å; S89-A91 VanDerWaalsContact OG-N 3.15Å; S89-S92 PolarHBondContact O-N 3.27Å; S89-S92 PolarHBondContact O-OG 3.22Å; S89-C580 VanDerWaalsContact CB-O 3.25Å; S89-C580 WeakPolarHBondContact CB-O 3.31Å; S89-C580 PolarHBondContact OG-O 2.78Å
90	F	89.3	Confident	90.7	Very high	10 Å²	10	35.6 Å²	35.6	4%	0.044	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-58.5	-21.5	174.4	-164	-88.3	0	0	0	112.8	S92 V93 P140 I142 Y518 Y577 A579 W589	F90-S92 PolarHBondContact O-N 2.66Å; F90-V93 HydrophobicContact CD2-CG2 4.41Å; F90-V93 WeakPolarHBondContact O-CB 3.36Å; F90-V93 PolarHBondContact O-N 3.33Å; F90-P140 WeakPolarHBondContact CE2-O 3.36Å; F90-I142 HydrophobicContact CD2-CD1 4.49Å; F90-I142 HydrophobicContact CD2-CG1 3.95Å; F90-I142 HydrophobicContact CE2-CD1 4.44Å; F90-I142 HydrophobicContact CE2-CG1 4.03Å; F90-Y518 AromaticContact CD1-CE2 3.98Å; F90-Y518 HydrophobicContact CD1-CE2 3.98Å; F90-Y518 AromaticContact CD1-CZ 3.95Å; F90-Y518 WeakPolarHBondContact CD1-OH 3.39Å; F90-Y518 AromaticContact CE1-CE2 3.44Å; F90-Y518 HydrophobicContact CE1-CE2 3.44Å; F90-Y518 VanDerWaalsContact CE1-CE2 3.44Å; F90-Y518 AromaticContact CE1-CZ 3.6Å; F90-Y518 WeakPolarHBondContact CE1-OH 3.38Å; F90-Y518 HydrophobicContact CE2-CE2 4.07Å; F90-Y518 HydrophobicContact CG-CE2 4.5Å; F90-Y518 HydrophobicContact CZ-CD2 4.37Å; F90-Y518 AromaticContact CZ-CE2 3.49Å; F90-Y518 HydrophobicContact CZ-CE2 3.49Å; F90-Y518 VanDerWaalsContact CZ-CE2 3.49Å; F90-Y577 HydrophobicContact CD1-CD2 4.36Å; F90-Y577 HydrophobicContact CD1-CE2 4.17Å; F90-Y577 AromaticContact CE1-CD2 3.94Å; F90-Y577 HydrophobicContact CE1-CD2 3.94Å; F90-Y577 AromaticContact CE1-CE2 3.85Å; F90-Y577 HydrophobicContact CE1-CE2 3.85Å; F90-A579 HydrophobicContact CB-CB 4.26Å; F90-A579 HydrophobicContact CD1-CB 3.94Å; F90-W589 HydrophobicContact CB-CZ2 4.47Å; F90-W589 AromaticContact CD2-CH2 3.73Å; F90-W589 HydrophobicContact CD2-CH2 3.73Å; F90-W589 AromaticContact CD2-CZ2 3.5Å; F90-W589 HydrophobicContact CD2-CZ2 3.5Å; F90-W589 VanDerWaalsContact CD2-CZ2 3.5Å; F90-W589 AromaticContact CE2-CH2 3.99Å; F90-W589 HydrophobicContact CE2-CH2 3.99Å; F90-W589 AromaticContact CE2-CZ2 3.99Å; F90-W589 HydrophobicContact CE2-CZ2 3.99Å; F90-W589 HydrophobicContact CG-CH2 4.12Å; F90-W589 HydrophobicContact CG-CZ2 4.13Å
91	A	87.4	Confident	90.8	Very high	21 Å²	21	32.9 Å²	32.9	17%	0.174	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-67.5	-21.7	175.5	0	0	0	0	0	113.8	S89 V93 L570 A579 E581	S89-A91 PolarHBondContact O-N 3.05Å; S89-A91 WeakPolarHBondContact OG-CB 3.34Å; S89-A91 PolarHBondContact OG-N 2.97Å; S89-A91 VanDerWaalsContact OG-N 3.15Å; A91-V93 VanDerWaalsContact C-N 3.3Å; A91-L570 HydrophobicContact CB-CD1 3.9Å; A91-A579 HydrophobicContact CB-CB 4.12Å; A91-E581 HydrophobicContact CB-CB 4.45Å
92	S	88.7	Confident	90.7	Very high	20 Å²	20	34.3 Å²	34.3	14%	0.14	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-84.3	-3.4	177.5	63.8	0	0	0	0	114.1	A86 F87 N88 S89 F90	A86-S92 WeakPolarHBondContact O-CB 3.35Å; A86-S92 PolarHBondContact O-OG 3.47Å; F87-S92 WeakPolarHBondContact CA-OG 3.31Å; N88-S92 PolarHBondContact N-OG 3.22Å; S89-S92 PolarHBondContact O-N 3.27Å; S89-S92 PolarHBondContact O-OG 3.22Å; F90-S92 PolarHBondContact O-N 2.66Å
93	V	91.9	Very high	90.7	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.006	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-88.5	135.2	-175.7	177.9	0	0	0	0	110.5	F87 F90 A91 I142 A188 H190 Y577	F87-V93 HydrophobicContact CD2-CG2 3.68Å; F87-V93 HydrophobicContact CE2-CG2 3.52Å; F90-V93 HydrophobicContact CD2-CG2 4.41Å; F90-V93 WeakPolarHBondContact O-CB 3.36Å; F90-V93 PolarHBondContact O-N 3.33Å; A91-V93 VanDerWaalsContact C-N 3.3Å; V93-I142 HydrophobicContact CG1-CD1 4.47Å; V93-I142 HydrophobicContact CG2-CD1 3.95Å; V93-A188 HydrophobicContact CG1-CB 3.54Å; V93-H190 HydrophobicContact CG2-CB 4.38Å; V93-Y577 PolarHBondContact O-OH 2.86Å
94	E	93.1	Very high	90.7	Very high	42 Å²	42	27.4 Å²	27.4	20%	0.196	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	117.5	171.5	-69.5	-61.7	143.8	0	0	110.4	R82 K83 L84 F96 A189	R82-E94 HydrophobicContact CB-CG 4.47Å; K83-E94 VanDerWaalsContact O-CG 3.3Å; K83-E94 WeakPolarHBondContact O-CG 3.26Å; L84-E94 HydrophobicContact CD2-CB 3.93Å; L84-E94 HydrophobicContact CD2-CG 3.99Å; E94-F96 HydrophobicContact CB-CE2 3.97Å; E94-F96 HydrophobicContact CB-CZ 4.48Å; E94-A189 PolarHBondContact N-O 3.36Å; E94-A189 PolarHBondContact O-N 2.98Å
95	L	93.5	Very high	90.6	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	139.1	179.4	-167	74.9	0	0	0	110.9	P139 F186 L187 A188 T572 Y575 Y577	L95-P139 HydrophobicContact CD1-CB 4.04Å; L95-P139 HydrophobicContact CD2-CB 4.34Å; L95-P139 HydrophobicContact CD2-CG 4.07Å; L95-F186 HydrophobicContact CD1-CB 4.3Å; L95-F186 HydrophobicContact CD1-CD1 4.39Å; L95-F186 HydrophobicContact CD2-CD1 3.98Å; L95-F186 HydrophobicContact CD2-CE1 4.43Å; L95-F186 HydrophobicContact CG-CD1 4.24Å; L95-L187 CarbonylContact C-O 3.53Å; L95-L187 WeakPolarHBondContact CA-O 3.19Å; L95-A188 HydrophobicContact CD1-CB 4.42Å; L95-T572 WeakPolarHBondContact O-CG2 3.02Å; L95-Y575 HydrophobicContact CD2-CD1 3.62Å; L95-Y575 HydrophobicContact CD2-CE1 3.74Å; L95-Y577 HydrophobicContact CB-CE1 4.22Å; L95-Y577 HydrophobicContact CD2-CD1 4.04Å; L95-Y577 HydrophobicContact CD2-CE1 4.14Å; L95-Y577 HydrophobicContact CD2-CG 4.5Å
96	F	93.6	Very high	90.7	Very high	5 Å²	5	30 Å²	30	2%	0.022	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	142.7	172.1	-57.1	-102.2	0	0	0	110	R79 R82 E94 F98 F186 L187 A189 F211 P213	R79-F96 HydrophobicContact CB-CD1 4.05Å; R79-F96 HydrophobicContact CG-CD1 4.49Å; R82-F96 HydrophobicContact CB-CE1 4.24Å; R82-F96 HydrophobicContact CB-CZ 3.85Å; R82-F96 HydrophobicContact CG-CE1 3.82Å; R82-F96 HydrophobicContact CG-CZ 3.92Å; E94-F96 HydrophobicContact CB-CE2 3.97Å; E94-F96 HydrophobicContact CB-CZ 4.48Å; F96-F98 HydrophobicContact CB-CE2 4.18Å; F96-F186 CarbonylContact O-C 3.37Å; F96-F186 WeakPolarHBondContact O-CA 3.38Å; F96-L187 HydrophobicContact CB-CB 4.16Å; F96-L187 PolarHBondContact N-O 2.85Å; F96-L187 PolarHBondContact O-N 3.47Å; F96-A189 HydrophobicContact CE2-CB 4.29Å; F96-F211 HydrophobicContact CD2-CD1 4.23Å; F96-F211 HydrophobicContact CD2-CE1 4.08Å; F96-F211 AromaticContact CE2-CD1 3.44Å; F96-F211 HydrophobicContact CE2-CD1 3.44Å; F96-F211 VanDerWaalsContact CE2-CD1 3.44Å; F96-F211 AromaticContact CE2-CE1 3.74Å; F96-F211 HydrophobicContact CE2-CE1 3.74Å; F96-F211 AromaticContact CZ-CD1 3.59Å; F96-F211 HydrophobicContact CZ-CD1 3.59Å; F96-F211 HydrophobicContact CZ-CE1 4.18Å; F96-P213 HydrophobicContact CB-CG 4.08Å; F96-P213 HydrophobicContact CD1-CG 3.47Å; F96-P213 VanDerWaalsContact CD1-CG 3.47Å; F96-P213 HydrophobicContact CD2-CG 4.24Å; F96-P213 HydrophobicContact CE1-CG 3.86Å; F96-P213 HydrophobicContact CG-CG 3.67Å; F96-P213 HydrophobicContact CZ-CG 4.41Å
97	H	92.2	Very high	91	Very high	49 Å²	49	29.1 Å²	29.1	23%	0.227	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	135.3	-178.7	166.4	-111	0	0	0	110.7	R79 D184 F186	R79-H97 PolarHBondContact NE-O 2.95Å; R79-H97 PolarHBondContact NH2-O 3.16Å; H97-D184 IonicContact CD2-OD1 2.76Å; H97-D184 IonicContact CE1-OD1 3.09Å; H97-D184 VanDerWaalsContact NE2-CG 3.35Å; H97-D184 IonicContact NE2-OD1 3.92Å; H97-D184 PolarHBondContact NE2-OD1 2.71Å; H97-F186 HydrophobicContact CB-CD1 4.19Å; H97-F186 HydrophobicContact CB-CE1 4Å; H97-F186 AromaticContact CD2-CE1 3.75Å; H97-F186 AromaticContact CD2-CZ 3.7Å
98	F	92.7	Very high	91.4	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.009	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	151.8	171.9	-68	-91.1	0	0	0	109.3	F77 R79 F96 W109 D184 W185 L187 P213 L215	F77-F98 HydrophobicContact CB-CD1 4.22Å; F77-F98 HydrophobicContact CB-CE1 4.36Å; R79-F98 HydrophobicContact CB-CZ 4.28Å; R79-F98 HydrophobicContact CG-CE1 3.76Å; R79-F98 HydrophobicContact CG-CE2 4.06Å; R79-F98 HydrophobicContact CG-CZ 3.46Å; R79-F98 VanDerWaalsContact CG-CZ 3.46Å; F96-F98 HydrophobicContact CB-CE2 4.18Å; F98-W109 AromaticContact CD2-NE1 3.99Å; F98-D184 CarbonylContact O-C 3.59Å; F98-D184 WeakPolarHBondContact O-CA 3.28Å; F98-W185 PolarHBondContact N-O 2.9Å; F98-W185 PolarHBondContact O-N 2.76Å; F98-L187 HydrophobicContact CD2-CD1 4.01Å; F98-L187 HydrophobicContact CE2-CD1 4.36Å; F98-L187 HydrophobicContact CE2-CD2 4.13Å; F98-P213 HydrophobicContact CE2-CB 4Å; F98-P213 HydrophobicContact CE2-CG 3.94Å; F98-P213 HydrophobicContact CZ-CB 3.9Å; F98-P213 HydrophobicContact CZ-CG 3.9Å; F98-L215 HydrophobicContact CB-CD2 3.82Å; F98-L215 HydrophobicContact CD1-CB 3.63Å; F98-L215 HydrophobicContact CD1-CD2 3.89Å; F98-L215 HydrophobicContact CD1-CG 4.41Å; F98-L215 HydrophobicContact CE1-CB 3.78Å; F98-L215 HydrophobicContact CG-CB 4.31Å; F98-L215 HydrophobicContact CG-CD2 4.12Å
99	N	92.8	Very high	91.9	Very high	85 Å²	85	26.2 Å²	26.2	46%	0.455	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	119.8	171.8	-171.7	-77.5	0	0	0	108.1	D184	N99-D184 PolarHBondContact ND2-OD1 3.42Å
100	V	94.3	Very high	92.3	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.006	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	119.1	177.1	176.6	0	0	0	0	107.9	T104 W109 P180 P182 G183 W185 L215	V100-T104 HydrophobicContact CG1-CG2 4.11Å; V100-W109 HydrophobicContact CG2-CH2 4.43Å; V100-W109 HydrophobicContact CG2-CZ2 4.25Å; V100-P180 HydrophobicContact CG1-CB 4.48Å; V100-P180 HydrophobicContact CG1-CG 4.06Å; V100-P182 WeakPolarHBondContact O-CA 2.89Å; V100-G183 PolarHBondContact N-O 3.49Å; V100-G183 PolarHBondContact O-N 3.09Å; V100-W185 HydrophobicContact CG2-CD2 4.49Å; V100-W185 HydrophobicContact CG2-CG 3.9Å; V100-L215 HydrophobicContact CG2-CD2 4.15Å
101	P	92.7	Very high	92.6	Very high	23 Å²	23	27.3 Å²	27.3	15%	0.149	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-68.6	160.4	-177.9	27.5	-33.3	0	0	0	112.3	T104 V217 K219	P101-T104 WeakPolarHBondContact O-CB 3.38Å; P101-T104 PolarHBondContact O-OG1 3.05Å; P101-V217 HydrophobicContact CG-CG1 3.97Å; P101-K219 HydrophobicContact CB-CD 4.07Å; P101-K219 HydrophobicContact CG-CD 3.58Å; P101-K219 HydrophobicContact CG-CG 4.03Å
102	E	90.6	Very high	92.8	Very high	86 Å²	86	26.6 Å²	26.6	40%	0.402	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	165.6	169.2	-60.4	-173.6	164.9	0	0	112	T104 P182 K219 W312	E102-T104 PolarHBondContact O-N 2.92Å; E102-P182 HydrophobicContact CG-CB 4.13Å; E102-K219 VanDerWaalsContact O-CE 3.28Å; E102-K219 WeakPolarHBondContact O-CE 3.23Å; E102-W312 PolarHBondContact OE2-NE1 3.32Å
103	D	90.4	Very high	92.9	Very high	28 Å²	28	25.8 Å²	25.8	15%	0.15	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	21.3	-177.8	-52.6	-43.3	0	0	0	114	K219 L220 I223 K246 Y314	D103-K219 WeakPolarHBondContact O-CA 3.33Å; D103-L220 PolarHBondContact O-N 2.8Å; D103-I223 HydrophobicContact CB-CD1 3.93Å; D103-K246 VanDerWaalsContact CG-NZ 3.3Å; D103-K246 IonicContact OD1-NZ 3.88Å; D103-K246 PolarHBondContact OD1-NZ 2.63Å; D103-K246 IonicContact OD2-NZ 3.6Å; D103-K246 PolarHBondContact OD2-NZ 3.3Å; D103-Y314 PolarHBondContact N-OH 3.37Å; D103-Y314 VanDerWaalsContact N-OH 3.16Å; D103-Y314 WeakPolarHBondContact OD1-CE1 3.39Å; D103-Y314 PolarHBondContact OD1-OH 3.46Å; D103-Y314 VanDerWaalsContact OD1-OH 3.07Å
104	T	91.5	Very high	92.8	Very high	5 Å²	5	27.1 Å²	27.1	3%	0.031	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	128.1	178	-65.1	0	0	0	0	111.7	V100 P101 E102 P180 V217	V100-T104 HydrophobicContact CG1-CG2 4.11Å; P101-T104 WeakPolarHBondContact O-CB 3.38Å; P101-T104 PolarHBondContact O-OG1 3.05Å; E102-T104 PolarHBondContact O-N 2.92Å; T104-P180 HydrophobicContact CG2-CG 3.4Å; T104-V217 HydrophobicContact CG2-CG1 3.37Å; T104-V217 VanDerWaalsContact OG1-CG1 3.25Å; T104-V217 WeakPolarHBondContact OG1-CG1 3.35Å
105	M	89.1	Confident	92.5	Very high	67 Å²	67	25.4 Å²	25.4	33%	0.33	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-36	174.8	-166	-85.5	-100.5	0	0	112.2	F72 S179 Q218	F72-M105 HydrophobicContact CE1-CB 4.46Å; F72-M105 HydrophobicContact CE1-CE 3.94Å; F72-M105 HydrophobicContact CZ-CE 4.21Å; M105-S179 PolarHBondContact O-N 2.96Å; M105-Q218 PolarHBondContact N-O 3.3Å
106	M	92.6	Very high	92	Very high	57 Å²	57	28 Å²	28	28%	0.281	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	135.7	179.7	-167.9	177.7	-171.2	0	0	110.9	V108 N176 Q218	M106-V108 HydrophobicContact CE-CG2 3.78Å; M106-V108 HydrophobicContact CG-CG2 4.09Å; M106-V108 HydrophobicContact SD-CG2 4.22Å; M106-N176 HydrophobicContact CE-CB 4.01Å; M106-Q218 HydrophobicContact CB-CB 4.24Å; M106-Q218 PolarHBondContact N-O 3.04Å; M106-Q218 PolarHBondContact O-N 3.41Å
107	A	95	Very high	91.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	131	169.2	0	0	0	0	0	109.6	W109 N176 V177 P180 L215 I216	A107-W109 HydrophobicContact CB-CE3 4.45Å; A107-W109 HydrophobicContact CB-CH2 3.9Å; A107-W109 HydrophobicContact CB-CZ3 3.74Å; A107-N176 CarbonylContact O-C 3.57Å; A107-N176 WeakPolarHBondContact O-CA 3.38Å; A107-V177 PolarHBondContact N-O 3.25Å; A107-V177 PolarHBondContact O-N 2.86Å; A107-P180 HydrophobicContact CB-CB 4.27Å; A107-P180 HydrophobicContact CB-CG 3.86Å; A107-L215 HydrophobicContact CB-CD1 4.02Å; A107-I216 CarbonylContact C-O 3.5Å; A107-I216 WeakPolarHBondContact CA-O 3.43Å
108	V	95.8	Very high	89.7	Confident	35 Å²	35	30 Å²	30	21%	0.212	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	116.7	179.5	-174.5	0	0	0	0	109.1	M106 F175 N176 I216	M106-V108 HydrophobicContact CE-CG2 3.78Å; M106-V108 HydrophobicContact CG-CG2 4.09Å; M106-V108 HydrophobicContact SD-CG2 4.22Å; V108-F175 CarbonylContact C-O 3.6Å; V108-F175 WeakPolarHBondContact CA-O 3.42Å; V108-N176 HydrophobicContact CG2-CB 4.06Å; V108-I216 HydrophobicContact CB-CB 4.41Å; V108-I216 PolarHBondContact N-O 3.49Å; V108-I216 PolarHBondContact O-N 2.95Å
109	W	96.1	Very high	88.2	Confident	0 Å²	0	33 Å²	33	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	118.9	170.4	-72.1	-92.6	0	0	0	110	F98 V100 A107 L111 F134 A174 F175 V177 W185 Q214 L215	F98-W109 AromaticContact CD2-NE1 3.99Å; V100-W109 HydrophobicContact CG2-CH2 4.43Å; V100-W109 HydrophobicContact CG2-CZ2 4.25Å; A107-W109 HydrophobicContact CB-CE3 4.45Å; A107-W109 HydrophobicContact CB-CH2 3.9Å; A107-W109 HydrophobicContact CB-CZ3 3.74Å; W109-L111 HydrophobicContact CB-CD2 3.97Å; W109-F134 HydrophobicContact CB-CE1 4.03Å; W109-F134 HydrophobicContact CD2-CD1 4.36Å; W109-F134 HydrophobicContact CD2-CE1 4.1Å; W109-F134 AromaticContact CG-CE1 3.83Å; W109-F134 HydrophobicContact CG-CE1 3.83Å; W109-A174 CarbonylContact O-C 3.58Å; W109-A174 VanDerWaalsContact O-CA 3.29Å; W109-A174 WeakPolarHBondContact O-CA 3.46Å; W109-F175 HydrophobicContact CB-CB 4.38Å; W109-F175 HydrophobicContact CD2-CD1 4.41Å; W109-F175 AromaticContact CE3-CD1 3.69Å; W109-F175 HydrophobicContact CE3-CD1 3.69Å; W109-F175 HydrophobicContact CE3-CE1 4.24Å; W109-F175 HydrophobicContact CZ3-CD1 4.18Å; W109-F175 HydrophobicContact CZ3-CE1 4.27Å; W109-F175 PolarHBondContact N-O 3.49Å; W109-F175 PolarHBondContact O-N 3.49Å; W109-V177 HydrophobicContact CZ3-CB 4.17Å; W109-V177 HydrophobicContact CZ3-CG2 3.77Å; W109-W185 AromaticContact CH2-CD2 3.68Å; W109-W185 HydrophobicContact CH2-CD2 3.68Å; W109-W185 AromaticContact CH2-CE3 3.48Å; W109-W185 HydrophobicContact CH2-CE3 3.48Å; W109-W185 VanDerWaalsContact CH2-CE3 3.48Å; W109-W185 HydrophobicContact CH2-CG 4.3Å; W109-W185 HydrophobicContact CH2-CH2 4.13Å; W109-W185 HydrophobicContact CH2-CZ2 4.3Å; W109-W185 AromaticContact CH2-CZ3 3.72Å; W109-W185 HydrophobicContact CH2-CZ3 3.72Å; W109-W185 HydrophobicContact CZ2-CB 4.09Å; W109-W185 AromaticContact CZ2-CD2 3.77Å; W109-W185 HydrophobicContact CZ2-CD2 3.77Å; W109-W185 AromaticContact CZ2-CE3 3.68Å; W109-W185 HydrophobicContact CZ2-CE3 3.68Å; W109-W185 AromaticContact CZ2-CG 3.98Å; W109-W185 HydrophobicContact CZ2-CG 3.98Å; W109-W185 HydrophobicContact CZ2-CZ3 4.36Å; W109-W185 HydrophobicContact CZ3-CE3 4.4Å; W109-W185 HydrophobicContact CZ3-CZ3 4.28Å; W109-Q214 CarbonylContact C-O 3.53Å; W109-Q214 WeakPolarHBondContact CA-O 3.47Å; W109-L215 HydrophobicContact CD2-CD1 3.93Å; W109-L215 HydrophobicContact CE3-CD1 4.4Å; W109-L215 HydrophobicContact CG-CD1 4.31Å; W109-L215 HydrophobicContact CH2-CD1 4.42Å; W109-L215 HydrophobicContact CZ2-CD1 3.94Å
110	N	94.8	Very high	86.8	Confident	45 Å²	45	33.5 Å²	33.5	24%	0.241	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	120.3	169.1	-177.8	28.6	0	0	0	108.7	G173 Q214	N110-G173 PolarHBondContact OD1-O 3.48Å; N110-Q214 HydrophobicContact CB-CB 4.25Å; N110-Q214 PolarHBondContact N-O 2.99Å; N110-Q214 PolarHBondContact ND2-OE1 3.19Å; N110-Q214 PolarHBondContact O-N 2.93Å
111	L	95	Very high	85.4	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	111.9	-169	-53.7	-177.4	0	0	0	108.7	W109 V132 F134 V161 L163 T172 G173 L187 F211 P213	W109-L111 HydrophobicContact CB-CD2 3.97Å; L111-V132 HydrophobicContact CD1-CG2 4.48Å; L111-F134 HydrophobicContact CD1-CE2 4.38Å; L111-F134 HydrophobicContact CD1-CZ 3.82Å; L111-F134 HydrophobicContact CD2-CE1 4.43Å; L111-F134 HydrophobicContact CD2-CZ 3.96Å; L111-F134 HydrophobicContact CG-CZ 4.46Å; L111-V161 HydrophobicContact CD1-CB 4.48Å; L111-V161 HydrophobicContact CD1-CG1 4.32Å; L111-L163 HydrophobicContact CB-CD1 3.93Å; L111-L163 HydrophobicContact CB-CD2 4.27Å; L111-L163 HydrophobicContact CD1-CD2 4.26Å; L111-T172 CarbonylContact O-C 3.59Å; L111-T172 VanDerWaalsContact O-CA 3.23Å; L111-T172 WeakPolarHBondContact O-CA 3.36Å; L111-G173 PolarHBondContact N-O 2.98Å; L111-G173 PolarHBondContact O-N 3.48Å; L111-L187 HydrophobicContact CD2-CD2 4.3Å; L111-F211 HydrophobicContact CB-CE2 4.03Å; L111-F211 HydrophobicContact CB-CZ 4.47Å; L111-F211 HydrophobicContact CD2-CE2 4.44Å; L111-F211 HydrophobicContact CD2-CZ 4.05Å; L111-P213 HydrophobicContact CD2-CB 4.35Å
112	I	92.6	Very high	84	Confident	6 Å²	6	38.9 Å²	38.9	3%	0.031	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	124.2	-174.5	-51.8	170.3	0	0	0	108.6	F114 R170 T172 F211 Q212 Q214	I112-F114 HydrophobicContact CG2-CD1 4.45Å; I112-R170 HydrophobicContact CG2-CG 4.26Å; I112-T172 HydrophobicContact CG1-CG2 4.16Å; I112-T172 HydrophobicContact CG2-CG2 4.3Å; I112-F211 WeakPolarHBondContact O-CA 3.49Å; I112-F211 WeakPolarHBondContact O-CD2 3.37Å; I112-Q212 HydrophobicContact CB-CB 4.43Å; I112-Q212 WeakPolarHBondContact CB-O 3.26Å; I112-Q212 PolarHBondContact N-O 2.98Å; I112-Q212 PolarHBondContact O-N 3.34Å; I112-Q214 HydrophobicContact CD1-CG 4.45Å
113	T	91.5	Very high	82.7	Confident	2 Å²	2	40.6 Å²	40.6	1%	0.012	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	142	171.3	55.2	0	0	0	0	109.9	V130 L163 R170 T171 L210 F211	T113-V130 HydrophobicContact CG2-CB 4Å; T113-V130 HydrophobicContact CG2-CG1 4.11Å; T113-V130 HydrophobicContact CG2-CG2 3.86Å; T113-L163 HydrophobicContact CG2-CD1 3.64Å; T113-R170 CarbonylContact O-C 3.59Å; T113-R170 VanDerWaalsContact O-CA 3.31Å; T113-R170 WeakPolarHBondContact O-CA 3.4Å; T113-T171 PolarHBondContact N-O 2.96Å; T113-T171 PolarHBondContact O-N 3.07Å; T113-T171 WeakPolarHBondContact OG1-CB 3.45Å; T113-T171 PolarHBondContact OG1-O 2.96Å; T113-L210 WeakPolarHBondContact CA-O 3.26Å; T113-F211 HydrophobicContact CG2-CB 4.48Å; T113-F211 HydrophobicContact CG2-CD2 3.56Å; T113-F211 HydrophobicContact CG2-CE2 4.29Å; T113-F211 HydrophobicContact CG2-CG 4.46Å
114	F	89.6	Confident	81.7	Confident	30 Å²	30	43.5 Å²	43.5	13%	0.132	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	154.8	175	53.9	-80.6	0	0	0	110.9	P81 I112 E116 N169 L210 Q212	P81-F114 HydrophobicContact CB-CE1 4.04Å; P81-F114 HydrophobicContact CB-CZ 3.7Å; P81-F114 HydrophobicContact CG-CZ 4.24Å; I112-F114 HydrophobicContact CG2-CD1 4.45Å; F114-E116 HydrophobicContact CD2-CG 4.21Å; F114-E116 HydrophobicContact CE2-CG 4.47Å; F114-E116 WeakPolarHBondContact CE2-OE1 3.42Å; F114-N169 VanDerWaalsContact CA-O 3.31Å; F114-N169 WeakPolarHBondContact CA-O 3.33Å; F114-L210 HydrophobicContact CD1-CB 4.22Å; F114-L210 HydrophobicContact CD2-CB 3.87Å; F114-L210 HydrophobicContact CD2-CD1 3.95Å; F114-L210 HydrophobicContact CD2-CG 4.49Å; F114-L210 HydrophobicContact CE1-CB 3.83Å; F114-L210 HydrophobicContact CE2-CB 3.48Å; F114-L210 VanDerWaalsContact CE2-CB 3.48Å; F114-L210 HydrophobicContact CE2-CD1 3.21Å; F114-L210 HydrophobicContact CE2-CG 3.96Å; F114-L210 HydrophobicContact CG-CB 4.24Å; F114-L210 HydrophobicContact CZ-CB 3.44Å; F114-L210 VanDerWaalsContact CZ-CB 3.44Å; F114-L210 HydrophobicContact CZ-CD1 3.77Å; F114-L210 HydrophobicContact CZ-CG 4.22Å; F114-L210 PolarHBondContact N-O 2.72Å; F114-L210 PolarHBondContact O-N 3.21Å; F114-Q212 HydrophobicContact CE1-CB 4.45Å
115	K	87	Confident	80.9	Confident	6 Å²	6	43.5 Å²	43.5	3%	0.026	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	132.1	-178.4	67.7	-167.1	-164.3	174.4	0	110.8	G122 C125 N127 W165 P168 N169 Q208 Y209	K115-G122 WeakPolarHBondContact CE-O 3.38Å; K115-G122 PolarHBondContact O-N 2.65Å; K115-G122 VanDerWaalsContact O-N 3.14Å; K115-C125 HydrophobicContact CB-CB 4.37Å; K115-C125 HydrophobicContact CD-CB 3.86Å; K115-C125 HydrophobicContact CG-CB 4.3Å; K115-C125 PolarHBondContact NZ-O 3.19Å; K115-N127 PolarHBondContact NZ-OD1 2.89Å; K115-W165 HydrophobicContact CB-CH2 3.89Å; K115-W165 HydrophobicContact CB-CZ3 4.25Å; K115-W165 HydrophobicContact CD-CE3 4.47Å; K115-W165 HydrophobicContact CD-CH2 4.27Å; K115-W165 HydrophobicContact CD-CZ3 3.96Å; K115-W165 HydrophobicContact CG-CH2 4.31Å; K115-W165 HydrophobicContact CG-CZ3 4.16Å; K115-P168 WeakPolarHBondContact CD-O 3.48Å; K115-P168 WeakPolarHBondContact CE-O 3.39Å; K115-P168 PolarHBondContact NZ-O 3.43Å; K115-N169 WeakPolarHBondContact CE-OD1 3.35Å; K115-N169 PolarHBondContact N-O 3.14Å; K115-Q208 CarbonylContact C-O 3.56Å; K115-Q208 WeakPolarHBondContact CA-O 3.27Å; K115-Y209 HydrophobicContact CB-CD1 4.11Å; K115-Y209 HydrophobicContact CB-CE1 4.17Å
116	E	82.4	Confident	80.5	Confident	56 Å²	56	43.8 Å²	43.8	26%	0.262	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	148.5	178.6	-70.6	-174.7	178.5	0	0	110.8	F114 T120 Q208 L210	F114-E116 HydrophobicContact CD2-CG 4.21Å; F114-E116 HydrophobicContact CE2-CG 4.47Å; F114-E116 WeakPolarHBondContact CE2-OE1 3.42Å; E116-T120 CarbonylContact C-O 3.53Å; E116-T120 WeakPolarHBondContact CA-O 3.24Å; E116-Q208 PolarHBondContact N-O 3.21Å; E116-Q208 PolarHBondContact O-N 3.04Å; E116-L210 HydrophobicContact CG-CD1 4.05Å; E116-L210 WeakPolarHBondContact OE2-CD1 3.3Å
117	Q	73.5	Confident	80	Confident	33 Å²	33	45.6 Å²	45.6	15%	0.154	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	118	177.4	-167.1	-169.8	-31.1	0	0	107.9	G119 T120 G122 S124 E205	Q117-G119 PolarHBondContact O-N 3.04Å; Q117-T120 PolarHBondContact N-O 3.32Å; Q117-T120 PolarHBondContact O-N 3.12Å; Q117-T120 PolarHBondContact O-OG1 3.33Å; Q117-G122 VanDerWaalsContact CB-CA 3.45Å; Q117-S124 PolarHBondContact OE1-OG 3.41Å; Q117-E205 HydrophobicContact CG-CB 3.52Å; Q117-E205 HydrophobicContact CG-CG 4.48Å; Q117-E205 VanDerWaalsContact CG-OE2 3.26Å; Q117-E205 WeakPolarHBondContact CG-OE2 3.46Å; Q117-E205 PolarHBondContact NE2-OE2 2.92Å
118	G	63.5	Low	79.6	Confident	62 Å²	62	49.2 Å²	49.2	64%	0.639	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	21.7	178.5	0	0	0	0	0	115.8
119	G	61.6	Low	79.2	Confident	67 Å²	67	51.1 Å²	51.1	69%	0.691	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	8.1	-174.8	0	0	0	0	0	115.1	Q117	Q117-G119 PolarHBondContact O-N 3.04Å
120	T	63.8	Low	79	Confident	94 Å²	94	51.1 Å²	51.1	58%	0.577	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.7	168.5	170.5	63.1	0	0	0	0	110.9	E116 Q117 G122	E116-T120 CarbonylContact C-O 3.53Å; E116-T120 WeakPolarHBondContact CA-O 3.24Å; Q117-T120 PolarHBondContact N-O 3.32Å; Q117-T120 PolarHBondContact O-N 3.12Å; Q117-T120 PolarHBondContact O-OG1 3.33Å; T120-G122 PolarHBondContact O-N 3.38Å
121	F	65.2	Low	79	Confident	137 Å²	137	50.1 Å²	50.1	60%	0.601	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.4	124.2	175.8	-73.1	-71.9	0	0	0	110.2	D123 N169	F121-D123 PolarHBondContact O-N 3.39Å; F121-N169 HydrophobicContact CD1-CB 4.35Å
122	G	62.6	Low	79	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	30%	0.298	C	S	.	.			trans	-85.1	70.1	-168.1	0	0	0	0	0	114.3	K115 Q117 T120 S124 C125	K115-G122 WeakPolarHBondContact CE-O 3.38Å; K115-G122 PolarHBondContact O-N 2.65Å; K115-G122 VanDerWaalsContact O-N 3.14Å; Q117-G122 VanDerWaalsContact CB-CA 3.45Å; T120-G122 PolarHBondContact O-N 3.38Å; G122-S124 PolarHBondContact O-N 3.14Å; G122-C125 VanDerWaalsContact O-CB 3.29Å; G122-C125 WeakPolarHBondContact O-CB 3.39Å; G122-C125 PolarHBondContact O-N 3.2Å
123	D	63	Low	79.2	Confident	122 Å²	122	51.4 Å²	51.4	65%	0.652	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-30.5	-177.6	-76.1	-31.5	0	0	0	113.7	F121 N169	F121-D123 PolarHBondContact O-N 3.39Å; D123-N169 PolarHBondContact OD1-ND2 3.46Å; D123-N169 PolarHBondContact OD1-OD1 3.45Å
124	S	69.5	Low	79.3	Confident	90 Å²	90	51.3 Å²	51.3	63%	0.629	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-2.4	-178.4	82.5	0	0	0	0	115	Q117 G122	Q117-S124 PolarHBondContact OE1-OG 3.41Å; G122-S124 PolarHBondContact O-N 3.14Å
125	C	74.8	Confident	79.5	Confident	5 Å²	5	50.9 Å²	50.9	3%	0.034	30%	0.3	C	S	.	.	S	Bend	trans	-76.6	138	-176.9	-68.7	0	0	0	0	113	K115 G122 C207	K115-C125 HydrophobicContact CB-CB 4.37Å; K115-C125 HydrophobicContact CD-CB 3.86Å; K115-C125 HydrophobicContact CG-CB 4.3Å; K115-C125 PolarHBondContact NZ-O 3.19Å; G122-C125 VanDerWaalsContact O-CB 3.29Å; G122-C125 WeakPolarHBondContact O-CB 3.39Å; G122-C125 PolarHBondContact O-N 3.2Å; C125-C207 WeakPolarHBondContact CA-SG 3.26Å; C125-C207 HydrophobicContact CB-CB 3.74Å; C125-C207 WeakPolarHBondContact CB-SG 3.37Å; C125-C207 WeakPolarHBondContact SG-CB 3.37Å; C125-C207 CovalentContact SG-SG 2.03Å; C125-C207 PolarHBondContact SG-SG 3.21Å
126	P	80.8	Confident	79.7	Confident	73 Å²	73	51.8 Å²	51.8	47%	0.474	31%	0.306	S	S	.	.			trans	-66.2	149.5	-180	26.3	-32.2	0	0	0	111.9	R128 Y209	P126-R128 PolarHBondContact O-N 2.84Å; P126-Y209 WeakPolarHBondContact CD-OH 3.28Å; P126-Y209 WeakPolarHBondContact CG-OH 3.18Å; P126-Y209 WeakPolarHBondContact O-CE1 3.34Å; P126-Y209 PolarHBondContact O-OH 2.64Å
127	N	82.5	Confident	80	Confident	95 Å²	95	49.7 Å²	49.7	51%	0.508	30%	0.3	S	S	.	.			trans	-81.8	110.5	178.5	-68	-12.9	0	0	0	109.7	K115 W165	K115-N127 PolarHBondContact NZ-OD1 2.89Å; N127-W165 HydrophobicContact CB-CB 3.94Å; N127-W165 HydrophobicContact CB-CG 3.8Å
128	R	85.3	Confident	80.9	Confident	76 Å²	76	48.1 Å²	48.1	29%	0.287	29%	0.292	S	S	.	.			trans	-114.1	115.2	178.6	-66.5	-176.9	171.9	-164.6	-7.9	111.1	P126 V130 W165 L191 P192 D194 Y209	P126-R128 PolarHBondContact O-N 2.84Å; R128-V130 PolarHBondContact O-N 3.43Å; R128-W165 VanDerWaalsContact C-NE1 3.28Å; R128-W165 PolarHBondContact O-NE1 3.04Å; R128-L191 HydrophobicContact CB-CD2 3.99Å; R128-P192 HydrophobicContact CB-CG 4.49Å; R128-D194 IonicContact CZ-OD1 3.66Å; R128-D194 IonicContact NH1-OD1 3.69Å; R128-D194 PolarHBondContact NH1-OD1 3.36Å; R128-D194 IonicContact NH1-OD2 3.14Å; R128-D194 IonicContact NH2-OD1 3.35Å; R128-D194 PolarHBondContact NH2-OD1 3.43Å; R128-Y209 HydrophobicContact CB-CE1 4.39Å
129	N	89.1	Confident	82.3	Confident	74 Å²	74	45.1 Å²	45.1	40%	0.396	26%	0.262	S	S	.	.			trans	-61.1	134.7	-176.8	-64	-18.9	0	0	0	111	T162 L163 P192	N129-T162 HydrophobicContact CB-CG2 3.95Å; N129-L163 WeakPolarHBondContact CA-O 3.3Å; N129-P192 WeakPolarHBondContact O-CD 3.45Å
130	V	91.9	Very high	83.8	Confident	1 Å²	1	42 Å²	42	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	127.3	179.2	173.5	0	0	0	0	108.7	L84 T113 R128 V132 T162 L163 L191	L84-V130 HydrophobicContact CD1-CB 4.29Å; L84-V130 HydrophobicContact CD1-CG1 3.49Å; L84-V130 VanDerWaalsContact CD1-CG1 3.49Å; L84-V130 HydrophobicContact CD1-CG2 3.74Å; T113-V130 HydrophobicContact CG2-CB 4Å; T113-V130 HydrophobicContact CG2-CG1 4.11Å; T113-V130 HydrophobicContact CG2-CG2 3.86Å; R128-V130 PolarHBondContact O-N 3.43Å; V130-V132 HydrophobicContact CG1-CG2 4.14Å; V130-T162 CarbonylContact O-C 3.46Å; V130-T162 WeakPolarHBondContact O-CA 3.16Å; V130-L163 HydrophobicContact CB-CB 4.42Å; V130-L163 PolarHBondContact N-O 2.83Å; V130-L163 PolarHBondContact O-N 3.01Å; V130-L191 HydrophobicContact CG2-CD2 3.83Å
131	T	93.9	Very high	85.2	Confident	24 Å²	24	37.6 Å²	37.6	15%	0.147	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	132.4	175.2	-56.6	0	0	0	0	110	Y133 A160 T162 A189 H190	T131-Y133 HydrophobicContact CG2-CD2 4.24Å; T131-Y133 HydrophobicContact CG2-CE2 3.54Å; T131-A160 HydrophobicContact CG2-CB 4.47Å; T131-T162 PolarHBondContact OG1-OG1 3.29Å; T131-A189 WeakPolarHBondContact O-CA 3.42Å; T131-H190 PolarHBondContact N-O 3.23Å; T131-H190 PolarHBondContact O-N 3.18Å
132	V	95.4	Very high	86.5	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	127.8	-178.5	-171.6	0	0	0	0	109.5	L111 V130 F134 A160 V161 L163 L187 A188 A189 F211	L111-V132 HydrophobicContact CD1-CG2 4.48Å; V130-V132 HydrophobicContact CG1-CG2 4.14Å; V132-F134 HydrophobicContact CB-CE2 4.02Å; V132-F134 HydrophobicContact CB-CZ 4.38Å; V132-F134 HydrophobicContact CG1-CD2 4.46Å; V132-F134 HydrophobicContact CG1-CE2 3.7Å; V132-F134 HydrophobicContact CG1-CZ 3.75Å; V132-A160 CarbonylContact O-C 3.46Å; V132-A160 WeakPolarHBondContact O-CA 3.42Å; V132-V161 PolarHBondContact N-O 3.02Å; V132-V161 PolarHBondContact O-N 2.87Å; V132-L163 HydrophobicContact CG2-CD1 4.36Å; V132-L187 HydrophobicContact CG1-CB 4.27Å; V132-L187 HydrophobicContact CG1-CD2 4.31Å; V132-L187 HydrophobicContact CG1-CG 4.34Å; V132-A188 CarbonylContact C-O 3.59Å; V132-A188 VanDerWaalsContact CA-O 3.31Å; V132-A188 WeakPolarHBondContact CA-O 3.36Å; V132-A189 HydrophobicContact CG2-CB 4.12Å; V132-F211 HydrophobicContact CB-CZ 4.49Å; V132-F211 HydrophobicContact CG1-CE1 4.45Å; V132-F211 HydrophobicContact CG1-CZ 4.05Å; V132-F211 HydrophobicContact CG2-CE1 4.31Å; V132-F211 HydrophobicContact CG2-CE2 3.85Å; V132-F211 HydrophobicContact CG2-CZ 3.6Å
133	Y	95.8	Very high	87.8	Confident	32 Å²	32	33.1 Å²	33.1	13%	0.125	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	143.9	178.7	-61.2	-101	0	0	0	111.4	T131 I142 F159 A160 L187 A188 H190	T131-Y133 HydrophobicContact CG2-CD2 4.24Å; T131-Y133 HydrophobicContact CG2-CE2 3.54Å; Y133-I142 HydrophobicContact CD1-CB 4.27Å; Y133-I142 HydrophobicContact CD1-CG2 3.52Å; Y133-I142 HydrophobicContact CD2-CB 4.3Å; Y133-I142 HydrophobicContact CD2-CD1 3.95Å; Y133-I142 HydrophobicContact CD2-CG2 3.7Å; Y133-I142 HydrophobicContact CE1-CB 4.24Å; Y133-I142 HydrophobicContact CE1-CG2 4Å; Y133-I142 HydrophobicContact CE2-CB 4.29Å; Y133-I142 HydrophobicContact CE2-CD1 3.95Å; Y133-I142 HydrophobicContact CE2-CG2 4.16Å; Y133-I142 HydrophobicContact CG-CB 4.3Å; Y133-I142 HydrophobicContact CG-CG2 3.36Å; Y133-F159 CarbonylContact C-O 3.52Å; Y133-F159 WeakPolarHBondContact CA-O 3.21Å; Y133-A160 HydrophobicContact CD1-CB 3.61Å; Y133-A160 HydrophobicContact CE1-CB 3.64Å; Y133-A160 HydrophobicContact CG-CB 4.31Å; Y133-L187 CarbonylContact O-C 3.51Å; Y133-L187 WeakPolarHBondContact O-CA 3.3Å; Y133-A188 PolarHBondContact N-O 3.01Å; Y133-A188 PolarHBondContact O-N 3.35Å; Y133-H190 AromaticContact CE2-CD2 3.83Å; Y133-H190 AromaticContact CE2-NE2 3.41Å; Y133-H190 WeakPolarHBondContact CE2-NE2 3.42Å
134	F	94.8	Very high	89.1	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	134.1	-176.1	-59.5	-104.3	0	0	0	110.6	W109 L111 V132 F159 V161 F175 F186 L187	W109-F134 HydrophobicContact CB-CE1 4.03Å; W109-F134 HydrophobicContact CD2-CD1 4.36Å; W109-F134 HydrophobicContact CD2-CE1 4.1Å; W109-F134 AromaticContact CG-CE1 3.83Å; W109-F134 HydrophobicContact CG-CE1 3.83Å; L111-F134 HydrophobicContact CD1-CE2 4.38Å; L111-F134 HydrophobicContact CD1-CZ 3.82Å; L111-F134 HydrophobicContact CD2-CE1 4.43Å; L111-F134 HydrophobicContact CD2-CZ 3.96Å; L111-F134 HydrophobicContact CG-CZ 4.46Å; V132-F134 HydrophobicContact CB-CE2 4.02Å; V132-F134 HydrophobicContact CB-CZ 4.38Å; V132-F134 HydrophobicContact CG1-CD2 4.46Å; V132-F134 HydrophobicContact CG1-CE2 3.7Å; V132-F134 HydrophobicContact CG1-CZ 3.75Å; F134-F159 HydrophobicContact CB-CB 4.38Å; F134-F159 PolarHBondContact N-O 3.48Å; F134-F159 PolarHBondContact O-N 3.36Å; F134-F159 VanDerWaalsContact O-N 3.09Å; F134-V161 HydrophobicContact CE2-CB 4.28Å; F134-V161 HydrophobicContact CE2-CG2 4.06Å; F134-F175 HydrophobicContact CB-CE1 4.25Å; F134-F175 AromaticContact CD1-CD1 3.76Å; F134-F175 HydrophobicContact CD1-CD1 3.76Å; F134-F175 HydrophobicContact CD1-CE1 4.03Å; F134-F175 HydrophobicContact CD2-CD1 4.22Å; F134-F175 HydrophobicContact CD2-CE1 4.36Å; F134-F175 HydrophobicContact CE1-CB 4.42Å; F134-F175 AromaticContact CE1-CD1 3.79Å; F134-F175 HydrophobicContact CE1-CD1 3.79Å; F134-F175 HydrophobicContact CE1-CG 4.39Å; F134-F175 HydrophobicContact CE2-CB 4.45Å; F134-F175 HydrophobicContact CE2-CD1 4.27Å; F134-F175 HydrophobicContact CE2-CG 4.31Å; F134-F175 AromaticContact CG-CD1 4Å; F134-F175 HydrophobicContact CG-CD1 4Å; F134-F175 AromaticContact CG-CE1 3.97Å; F134-F175 HydrophobicContact CG-CE1 3.97Å; F134-F175 HydrophobicContact CZ-CB 4.08Å; F134-F175 HydrophobicContact CZ-CD1 4.08Å; F134-F175 HydrophobicContact CZ-CG 4.24Å; F134-F186 WeakPolarHBondContact CA-O 3.42Å; F134-L187 HydrophobicContact CD1-CD1 3.66Å; F134-L187 HydrophobicContact CD1-CD2 4.12Å; F134-L187 HydrophobicContact CD1-CG 3.55Å; F134-L187 HydrophobicContact CE1-CD1 3.89Å; F134-L187 HydrophobicContact CE1-CD2 3.48Å; F134-L187 VanDerWaalsContact CE1-CD2 3.48Å; F134-L187 HydrophobicContact CE1-CG 3.45Å; F134-L187 VanDerWaalsContact CE1-CG 3.45Å; F134-L187 HydrophobicContact CG-CG 4.35Å; F134-L187 HydrophobicContact CZ-CD2 4.04Å; F134-L187 HydrophobicContact CZ-CG 4.15Å
135	R	93.3	Very high	89.9	Confident	22 Å²	22	26.9 Å²	26.9	8%	0.083	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	141.2	172	-176.1	178.7	174.1	-147.4	-3.2	110.9	A138 P139 P140 F186 Y518	R135-A138 WeakPolarHBondContact CB-O 3.44Å; R135-A138 WeakPolarHBondContact CD-O 3.46Å; R135-A138 WeakPolarHBondContact CG-O 3.26Å; R135-P139 WeakPolarHBondContact CD-O 3.43Å; R135-P139 PolarHBondContact NH1-O 3.18Å; R135-P140 HydrophobicContact CB-CB 3.91Å; R135-F186 PolarHBondContact N-O 3.47Å; R135-F186 PolarHBondContact O-N 2.93Å; R135-Y518 PolarHBondContact NH1-O 2.97Å; R135-Y518 PolarHBondContact NH2-O 3.03Å
136	S	91.3	Very high	90.6	Very high	24 Å²	24	36.5 Å²	36.5	17%	0.168	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	143.7	174.1	58.2	0	0	0	0	111.8	A138 D184 Q520	S136-A138 PolarHBondContact O-N 3.03Å; S136-D184 CarbonylContact C-O 3.59Å; S136-Q520 PolarHBondContact O-NE2 3.4Å; S136-Q520 VanDerWaalsContact O-NE2 3.1Å
137	G	89.2	Confident	90.7	Very high	12 Å²	12	33.7 Å²	33.7	12%	0.124	16%	0.164	C	C	.	.	S	Bend	trans	78.9	-23	177.9	0	0	0	0	0	116.1	D184	G137-D184 PolarHBondContact N-O 3.33Å
138	A	91.1	Very high	90.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	-159.5	162	-179.9	0	0	0	0	0	112.3	R135 S136 F186 Y518 Q520	R135-A138 WeakPolarHBondContact CB-O 3.44Å; R135-A138 WeakPolarHBondContact CD-O 3.46Å; R135-A138 WeakPolarHBondContact CG-O 3.26Å; S136-A138 PolarHBondContact O-N 3.03Å; A138-F186 WeakPolarHBondContact O-CD2 3.42Å; A138-Y518 WeakPolarHBondContact CB-O 3.22Å; A138-Q520 HydrophobicContact CB-CG 4.18Å
139	P	93.2	Very high	90.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.17	C	C	.	.			trans	-52.6	140.4	173.9	-28	33.3	0	0	0	113.7	L95 R135 F186 Y518 Y575	L95-P139 HydrophobicContact CD1-CB 4.04Å; L95-P139 HydrophobicContact CD2-CB 4.34Å; L95-P139 HydrophobicContact CD2-CG 4.07Å; R135-P139 WeakPolarHBondContact CD-O 3.43Å; R135-P139 PolarHBondContact NH1-O 3.18Å; P139-F186 HydrophobicContact CG-CD1 4.01Å; P139-F186 HydrophobicContact CG-CE1 4.23Å; P139-F186 HydrophobicContact CG-CG 4.18Å; P139-Y518 HydrophobicContact CB-CD2 3.79Å; P139-Y518 HydrophobicContact CB-CE2 4.31Å; P139-Y518 HydrophobicContact CB-CG 3.93Å; P139-Y518 HydrophobicContact CG-CG 4.25Å; P139-Y575 WeakPolarHBondContact CD-OH 3.18Å; P139-Y575 HydrophobicContact CG-CE1 3.62Å; P139-Y575 WeakPolarHBondContact CG-OH 3.33Å
140	P	94.1	Very high	90.5	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.156	C	C	.	.			trans	-67.7	141.3	178	29.3	-35.3	0	0	0	111.5	F90 R135 I142 A188	F90-P140 WeakPolarHBondContact CE2-O 3.36Å; R135-P140 HydrophobicContact CB-CB 3.91Å; P140-I142 HydrophobicContact CB-CG2 3.98Å; P140-I142 HydrophobicContact CG-CG2 4.37Å; P140-A188 HydrophobicContact CG-CB 3.38Å
141	V	93.1	Very high	90.1	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.018	20%	0.195	C	C	.	.			trans	-100.7	101.7	176.8	179.5	0	0	0	0	107.4	F149 V155 P517 Y518 W589	V141-F149 HydrophobicContact CG1-CE1 3.92Å; V141-F149 HydrophobicContact CG1-CZ 4.14Å; V141-V155 HydrophobicContact CB-CG1 4.42Å; V141-V155 HydrophobicContact CG1-CG1 4.03Å; V141-P517 HydrophobicContact CG1-CG 3.97Å; V141-P517 HydrophobicContact CG2-CB 4.22Å; V141-P517 HydrophobicContact CG2-CG 3.91Å; V141-Y518 HydrophobicContact CG2-CD2 4.05Å; V141-W589 HydrophobicContact CB-CH2 4.01Å; V141-W589 HydrophobicContact CB-CZ2 4.09Å; V141-W589 HydrophobicContact CG1-CH2 3.63Å; V141-W589 HydrophobicContact CG1-CZ2 3.52Å; V141-W589 HydrophobicContact CG1-CZ3 4.22Å; V141-W589 HydrophobicContact CG2-CH2 4.05Å
142	I	92.3	Very high	89.7	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.01	21%	0.209	C	C	.	.			trans	-110.2	150.1	-168.9	69.8	175.4	0	0	0	112.3	F87 F90 V93 Y133 P140 W589	F87-I142 HydrophobicContact CD2-CD1 4.47Å; F87-I142 HydrophobicContact CE2-CD1 3.84Å; F87-I142 HydrophobicContact CE2-CG1 4.22Å; F90-I142 HydrophobicContact CD2-CD1 4.49Å; F90-I142 HydrophobicContact CD2-CG1 3.95Å; F90-I142 HydrophobicContact CE2-CD1 4.44Å; F90-I142 HydrophobicContact CE2-CG1 4.03Å; V93-I142 HydrophobicContact CG1-CD1 4.47Å; V93-I142 HydrophobicContact CG2-CD1 3.95Å; Y133-I142 HydrophobicContact CD1-CB 4.27Å; Y133-I142 HydrophobicContact CD1-CG2 3.52Å; Y133-I142 HydrophobicContact CD2-CB 4.3Å; Y133-I142 HydrophobicContact CD2-CD1 3.95Å; Y133-I142 HydrophobicContact CD2-CG2 3.7Å; Y133-I142 HydrophobicContact CE1-CB 4.24Å; Y133-I142 HydrophobicContact CE1-CG2 4Å; Y133-I142 HydrophobicContact CE2-CB 4.29Å; Y133-I142 HydrophobicContact CE2-CD1 3.95Å; Y133-I142 HydrophobicContact CE2-CG2 4.16Å; Y133-I142 HydrophobicContact CG-CB 4.3Å; Y133-I142 HydrophobicContact CG-CG2 3.36Å; P140-I142 HydrophobicContact CB-CG2 3.98Å; P140-I142 HydrophobicContact CG-CG2 4.37Å; I142-W589 PolarHBondContact O-NE1 3.39Å
143	N	90.3	Very high	89.4	Confident	40 Å²	40	48.3 Å²	48.3	21%	0.214	22%	0.216	C	C	.	.			trans	-141.9	66.9	175.9	-173.3	22.3	0	0	0	111.7	L145 Y146 T147 F149	N143-L145 PolarHBondContact O-N 3.13Å; N143-Y146 PolarHBondContact O-N 2.9Å; N143-Y146 PolarHBondContact OD1-N 3.47Å; N143-T147 PolarHBondContact ND2-N 3.28Å; N143-T147 PolarHBondContact ND2-O 2.87Å; N143-T147 PolarHBondContact OD1-N 3.25Å; N143-T147 PolarHBondContact OD1-OG1 2.98Å; N143-F149 HydrophobicContact CB-CE2 3.58Å; N143-F149 HydrophobicContact CB-CZ 3.8Å
144	P	89.6	Confident	89	Confident	30 Å²	30	48.3 Å²	48.3	20%	0.195	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-22	-176.4	28	-35.6	0	0	0	113.3	F87	F87-P144 HydrophobicContact CD1-CG 3.51Å; F87-P144 HydrophobicContact CD2-CG 3.72Å; F87-P144 HydrophobicContact CE1-CG 3.39Å; F87-P144 HydrophobicContact CE2-CG 3.58Å; F87-P144 HydrophobicContact CG-CG 3.68Å; F87-P144 HydrophobicContact CZ-CG 3.42Å; F87-P144 VanDerWaalsContact CZ-CG 3.42Å
145	L	86.9	Confident	88.6	Confident	52 Å²	52	51.6 Å²	51.6	27%	0.272	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	4.1	178.2	-60.9	-177.6	0	0	0	113.5	F87 N143 T147 K193	F87-L145 HydrophobicContact CD1-CD1 3.75Å; F87-L145 HydrophobicContact CD1-CD2 4.35Å; F87-L145 HydrophobicContact CD1-CG 3.7Å; F87-L145 HydrophobicContact CE1-CD1 3.81Å; F87-L145 HydrophobicContact CE1-CG 3.78Å; N143-L145 PolarHBondContact O-N 3.13Å; L145-T147 HydrophobicContact CB-CG2 3.85Å; L145-T147 PolarHBondContact O-N 3.25Å; L145-T147 VanDerWaalsContact O-N 3.11Å; L145-K193 HydrophobicContact CD1-CD 4.37Å; L145-K193 HydrophobicContact CD2-CB 4.17Å; L145-K193 HydrophobicContact CD2-CD 4.07Å
146	Y	87.9	Confident	88.2	Confident	207 Å²	207	51.6 Å²	51.6	81%	0.812	24%	0.242	S	C	*	.			trans	53.1	31.6	-178.7	-54.6	-78.3	0	0	0	114.5	N143	N143-Y146 PolarHBondContact O-N 2.9Å; N143-Y146 PolarHBondContact OD1-N 3.47Å
147	T	84.9	Confident	87.8	Confident	14 Å²	14	53.9 Å²	53.9	9%	0.086	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-70.2	158.7	178.3	59.9	0	0	0	0	112	N143 L145 F149 N587 G588 D593	N143-T147 PolarHBondContact ND2-N 3.28Å; N143-T147 PolarHBondContact ND2-O 2.87Å; N143-T147 PolarHBondContact OD1-N 3.25Å; N143-T147 PolarHBondContact OD1-OG1 2.98Å; L145-T147 HydrophobicContact CB-CG2 3.85Å; L145-T147 PolarHBondContact O-N 3.25Å; L145-T147 VanDerWaalsContact O-N 3.11Å; T147-F149 PolarHBondContact O-N 3.26Å; T147-N587 HydrophobicContact CG2-CB 3.93Å; T147-G588 WeakPolarHBondContact OG1-CA 3.07Å; T147-D593 WeakPolarHBondContact CA-OD2 3.47Å; T147-D593 WeakPolarHBondContact CB-OD2 3.49Å
148	R	82.4	Confident	87.8	Confident	197 Å²	197	55.2 Å²	55.2	74%	0.743	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-77.9	123.7	179.6	-172.7	173	-76.7	-172.7	-3.5	111.7	D593	R148-D593 PolarHBondContact N-OD2 3.09Å
149	F	85.4	Confident	87.7	Confident	41 Å²	41	61.6 Å²	61.6	18%	0.18	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-70.9	146	167.8	-75.7	-89.1	0	0	0	111.2	V141 N143 T147 T153 V155 W589	V141-F149 HydrophobicContact CG1-CE1 3.92Å; V141-F149 HydrophobicContact CG1-CZ 4.14Å; N143-F149 HydrophobicContact CB-CE2 3.58Å; N143-F149 HydrophobicContact CB-CZ 3.8Å; T147-F149 PolarHBondContact O-N 3.26Å; F149-T153 HydrophobicContact CD1-CG2 4.32Å; F149-V155 HydrophobicContact CD1-CG2 3.91Å; F149-V155 HydrophobicContact CD2-CG2 3.74Å; F149-V155 HydrophobicContact CE1-CG2 3.76Å; F149-V155 HydrophobicContact CE2-CG1 4.45Å; F149-V155 HydrophobicContact CE2-CG2 3.58Å; F149-V155 HydrophobicContact CG-CG2 3.89Å; F149-V155 HydrophobicContact CZ-CG1 4.23Å; F149-V155 HydrophobicContact CZ-CG2 3.6Å; F149-W589 HydrophobicContact CD1-CB 4.09Å; F149-W589 AromaticContact CD1-CD1 3.93Å; F149-W589 AromaticContact CD1-CG 3.9Å; F149-W589 HydrophobicContact CD1-CG 3.9Å; F149-W589 HydrophobicContact CE1-CB 4.13Å; F149-W589 AromaticContact CE1-CD1 3.22Å; F149-W589 AromaticContact CE1-CD2 3.77Å; F149-W589 HydrophobicContact CE1-CD2 3.77Å; F149-W589 AromaticContact CE1-CE2 3.78Å; F149-W589 AromaticContact CE1-CG 3.43Å; F149-W589 HydrophobicContact CE1-CG 3.43Å; F149-W589 VanDerWaalsContact CE1-CG 3.43Å; F149-W589 AromaticContact CE1-NE1 3.43Å; F149-W589 AromaticContact CZ-CD1 3.6Å; F149-W589 HydrophobicContact CZ-CG 4.25Å; F149-W589 AromaticContact CZ-NE1 3.55Å
150	P	83.3	Confident	87.7	Confident	14 Å²	14	64.2 Å²	64.2	9%	0.091	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-55.9	148.4	170.1	-25.4	36.2	0	0	0	111.5	T153 I558	P150-T153 VanDerWaalsContact O-CB 3.24Å; P150-T153 WeakPolarHBondContact O-CB 3.48Å; P150-T153 PolarHBondContact O-N 2.96Å; P150-T153 PolarHBondContact O-OG1 3.5Å; P150-I558 HydrophobicContact CB-CG2 4.25Å; P150-I558 HydrophobicContact CG-CG2 3.97Å
151	R	83.1	Confident	87.6	Confident	219 Å²	219	65.7 Å²	65.7	83%	0.826	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	151.3	176.8	-63.2	-174.9	-175.7	-175.9	1.5	110.8	T153 R515	R151-T153 PolarHBondContact O-N 3.5Å; R151-T153 VanDerWaalsContact O-N 3.17Å; R151-R515 PolarHBondContact O-NH1 3.21Å
152	D	86.4	Confident	87.5	Confident	84 Å²	84	69.1 Å²	69.1	45%	0.449	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	14.7	177.5	-38.5	-48.7	0	0	0	114.8	K513 R515	D152-K513 HydrophobicContact CB-CB 4.19Å; D152-K513 WeakPolarHBondContact CB-O 3.41Å; D152-R515 PolarHBondContact O-N 3.06Å; D152-R515 IonicContact OD2-NH1 3.65Å
153	T	89.1	Confident	87.3	Confident	22 Å²	22	69.4 Å²	69.4	14%	0.135	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-96.3	127.3	177.6	-49	0	0	0	0	110.2	F149 P150 R151 R515 P517 I558	F149-T153 HydrophobicContact CD1-CG2 4.32Å; P150-T153 VanDerWaalsContact O-CB 3.24Å; P150-T153 WeakPolarHBondContact O-CB 3.48Å; P150-T153 PolarHBondContact O-N 2.96Å; P150-T153 PolarHBondContact O-OG1 3.5Å; R151-T153 PolarHBondContact O-N 3.5Å; R151-T153 VanDerWaalsContact O-N 3.17Å; T153-R515 HydrophobicContact CG2-CB 4.49Å; T153-P517 HydrophobicContact CG2-CG 3.98Å; T153-I558 HydrophobicContact CG2-CD1 4.07Å
154	V	87.9	Confident	87.1	Confident	32 Å²	32	71.4 Å²	71.4	19%	0.194	37%	0.371	C	S	.	.			trans	-85.8	138.7	174.1	172.8	0	0	0	0	109.8	P156 F501 L514 R515 P517	V154-P156 HydrophobicContact CG1-CG 4.42Å; V154-P156 WeakPolarHBondContact O-CD 3.47Å; V154-F501 HydrophobicContact CB-CE1 4.19Å; V154-F501 HydrophobicContact CG1-CD1 4.27Å; V154-F501 HydrophobicContact CG1-CE1 3.39Å; V154-F501 HydrophobicContact CG1-CZ 3.84Å; V154-F501 HydrophobicContact CG2-CD1 3.94Å; V154-F501 HydrophobicContact CG2-CE1 3.88Å; V154-L514 HydrophobicContact CG2-CD1 3.42Å; V154-L514 VanDerWaalsContact CG2-CD1 3.42Å; V154-R515 PolarHBondContact N-O 3.37Å; V154-P517 WeakPolarHBondContact O-CD 3.37Å; V154-P517 WeakPolarHBondContact O-CG 3.39Å
155	V	86.8	Confident	86.6	Confident	68 Å²	68	71.3 Å²	71.3	41%	0.412	37%	0.367	S	S	.	.			trans	-112.4	99.1	171.1	-175.4	0	0	0	0	108.3	V141 F149	V141-V155 HydrophobicContact CB-CG1 4.42Å; V141-V155 HydrophobicContact CG1-CG1 4.03Å; F149-V155 HydrophobicContact CD1-CG2 3.91Å; F149-V155 HydrophobicContact CD2-CG2 3.74Å; F149-V155 HydrophobicContact CE1-CG2 3.76Å; F149-V155 HydrophobicContact CE2-CG1 4.45Å; F149-V155 HydrophobicContact CE2-CG2 3.58Å; F149-V155 HydrophobicContact CG-CG2 3.89Å; F149-V155 HydrophobicContact CZ-CG1 4.23Å; F149-V155 HydrophobicContact CZ-CG2 3.6Å
156	P	83.5	Confident	85.9	Confident	22 Å²	22	74 Å²	74	14%	0.143	39%	0.386	C	S	.	.			trans	-60.8	142.3	173.9	-22.2	34.3	0	0	0	110.8	V154	V154-P156 HydrophobicContact CG1-CG 4.42Å; V154-P156 WeakPolarHBondContact O-CD 3.47Å
157	G	83.2	Confident	85.2	Confident	72 Å²	72	68.9 Å²	68.9	74%	0.742	37%	0.372	S	S	*	.			trans	-61.1	142.4	176.3	0	0	0	0	0	112.5
158	S	89.4	Confident	84.4	Confident	40 Å²	40	72.2 Å²	72.2	28%	0.28	39%	0.394	S	S	.	.			trans	-135.6	145.7	174.9	61.3	0	0	0	0	110.3
159	F	89.8	Confident	84.1	Confident	134 Å²	134	64.1 Å²	64.1	59%	0.588	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	145.6	171.9	-61	-82	0	0	0	109.7	Y133 F134 F175	Y133-F159 CarbonylContact C-O 3.52Å; Y133-F159 WeakPolarHBondContact CA-O 3.21Å; F134-F159 HydrophobicContact CB-CB 4.38Å; F134-F159 PolarHBondContact N-O 3.48Å; F134-F159 PolarHBondContact O-N 3.36Å; F134-F159 VanDerWaalsContact O-N 3.09Å; F159-F175 HydrophobicContact CB-CE2 4.4Å; F159-F175 HydrophobicContact CB-CZ 4.05Å; F159-F175 HydrophobicContact CG-CZ 4.26Å
160	A	92.6	Very high	84	Confident	56 Å²	56	68.2 Å²	68.2	46%	0.463	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	141.7	179	0	0	0	0	0	111.1	T131 V132 Y133	T131-A160 HydrophobicContact CG2-CB 4.47Å; V132-A160 CarbonylContact O-C 3.46Å; V132-A160 WeakPolarHBondContact O-CA 3.42Å; Y133-A160 HydrophobicContact CD1-CB 3.61Å; Y133-A160 HydrophobicContact CE1-CB 3.64Å; Y133-A160 HydrophobicContact CG-CB 4.31Å
161	V	92.2	Very high	84.2	Confident	31 Å²	31	67.7 Å²	67.7	19%	0.188	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	126.9	173.3	178.5	0	0	0	0	108.2	L111 V132 F134 L163 F175	L111-V161 HydrophobicContact CD1-CB 4.48Å; L111-V161 HydrophobicContact CD1-CG1 4.32Å; V132-V161 PolarHBondContact N-O 3.02Å; V132-V161 PolarHBondContact O-N 2.87Å; F134-V161 HydrophobicContact CE2-CB 4.28Å; F134-V161 HydrophobicContact CE2-CG2 4.06Å; V161-L163 HydrophobicContact CG1-CD2 4.27Å; V161-F175 HydrophobicContact CG2-CB 4.18Å; V161-F175 HydrophobicContact CG2-CD2 3.71Å; V161-F175 HydrophobicContact CG2-CE2 4.47Å; V161-F175 HydrophobicContact CG2-CG 4.17Å
162	T	91.4	Very high	84.4	Confident	74 Å²	74	60.6 Å²	60.6	45%	0.454	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	124.3	175.5	-60	0	0	0	0	109.6	N129 V130 T131	N129-T162 HydrophobicContact CB-CG2 3.95Å; V130-T162 CarbonylContact O-C 3.46Å; V130-T162 WeakPolarHBondContact O-CA 3.16Å; T131-T162 PolarHBondContact OG1-OG1 3.29Å
163	L	87.7	Confident	84.6	Confident	9 Å²	9	57.4 Å²	57.4	5%	0.047	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	114.4	179.3	-57.8	175.1	0	0	0	109.2	L111 T113 N129 V130 V132 V161 F211	L111-L163 HydrophobicContact CB-CD1 3.93Å; L111-L163 HydrophobicContact CB-CD2 4.27Å; L111-L163 HydrophobicContact CD1-CD2 4.26Å; T113-L163 HydrophobicContact CG2-CD1 3.64Å; N129-L163 WeakPolarHBondContact CA-O 3.3Å; V130-L163 HydrophobicContact CB-CB 4.42Å; V130-L163 PolarHBondContact N-O 2.83Å; V130-L163 PolarHBondContact O-N 3.01Å; V132-L163 HydrophobicContact CG2-CD1 4.36Å; V161-L163 HydrophobicContact CG1-CD2 4.27Å; L163-F211 HydrophobicContact CD1-CE2 4.13Å
164	T	84.9	Confident	84.7	Confident	81 Å²	81	59.9 Å²	59.9	50%	0.497	37%	0.367	S	S	.	.			trans	-99.2	134.6	175.8	51.2	0	0	0	0	110.4	T166 T171	T164-T166 PolarHBondContact O-N 2.85Å; T164-T166 VanDerWaalsContact O-N 3.13Å; T164-T171 WeakPolarHBondContact O-CG2 3.36Å
165	W	78.8	Confident	84.9	Confident	29 Å²	29	59.8 Å²	59.8	11%	0.11	36%	0.364	C	S	.	.			trans	-67.4	111.3	-174	-65.8	79.2	0	0	0	111.9	K115 N127 R128 T171 Y209	K115-W165 HydrophobicContact CB-CH2 3.89Å; K115-W165 HydrophobicContact CB-CZ3 4.25Å; K115-W165 HydrophobicContact CD-CE3 4.47Å; K115-W165 HydrophobicContact CD-CH2 4.27Å; K115-W165 HydrophobicContact CD-CZ3 3.96Å; K115-W165 HydrophobicContact CG-CH2 4.31Å; K115-W165 HydrophobicContact CG-CZ3 4.16Å; N127-W165 HydrophobicContact CB-CB 3.94Å; N127-W165 HydrophobicContact CB-CG 3.8Å; R128-W165 VanDerWaalsContact C-NE1 3.28Å; R128-W165 PolarHBondContact O-NE1 3.04Å; W165-T171 WeakPolarHBondContact CA-OG1 3.29Å; W165-T171 VanDerWaalsContact CD2-OG1 3.32Å; W165-Y209 HydrophobicContact CH2-CD1 4.12Å; W165-Y209 AromaticContact CZ2-CD1 3.71Å; W165-Y209 HydrophobicContact CZ2-CD1 3.71Å; W165-Y209 HydrophobicContact CZ2-CE1 4.08Å
166	T	73.1	Confident	85.2	Confident	109 Å²	109	61.3 Å²	61.3	67%	0.669	37%	0.37	S	S	*	.			trans	-97.7	-28	177.9	52.7	0	0	0	0	112.9	T164	T164-T166 PolarHBondContact O-N 2.85Å; T164-T166 VanDerWaalsContact O-N 3.13Å
167	L	73.9	Confident	85.6	Confident	98 Å²	98	61.7 Å²	61.7	51%	0.513	37%	0.371	S	S	.	.	S	Bend	trans	-119.6	152.7	178.7	-75.3	157.2	0	0	0	108.1	N169 R170	L167-N169 VanDerWaalsContact C-N 3.35Å; L167-N169 PolarHBondContact O-N 3.3Å; L167-R170 WeakPolarHBondContact CB-O 3.35Å; L167-R170 WeakPolarHBondContact CD1-O 3.39Å
168	P	67.2	Low	86	Confident	84 Å²	84	61.3 Å²	61.3	55%	0.545	36%	0.355	S	S	.	.	S	Bend	trans	-57	-46.1	-172.6	17.1	-28.3	0	0	0	112.2	K115	K115-P168 WeakPolarHBondContact CD-O 3.48Å; K115-P168 WeakPolarHBondContact CE-O 3.39Å; K115-P168 PolarHBondContact NZ-O 3.43Å
169	N	76.8	Confident	86	Confident	28 Å²	28	59.6 Å²	59.6	15%	0.15	34%	0.343	C	S	.	.	S	Bend	trans	-116.1	-13.2	-168.5	-62.2	-19.7	0	0	0	116.1	F114 K115 F121 D123 L167	F114-N169 VanDerWaalsContact CA-O 3.31Å; F114-N169 WeakPolarHBondContact CA-O 3.33Å; K115-N169 WeakPolarHBondContact CE-OD1 3.35Å; K115-N169 PolarHBondContact N-O 3.14Å; F121-N169 HydrophobicContact CD1-CB 4.35Å; D123-N169 PolarHBondContact OD1-ND2 3.46Å; D123-N169 PolarHBondContact OD1-OD1 3.45Å; L167-N169 VanDerWaalsContact C-N 3.35Å; L167-N169 PolarHBondContact O-N 3.3Å
170	R	83.8	Confident	86.2	Confident	127 Å²	127	53.4 Å²	53.4	48%	0.479	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	123.7	-174.6	178.1	-177.4	176	-172.1	-0.3	110.5	I112 T113 L167	I112-R170 HydrophobicContact CG2-CG 4.26Å; T113-R170 CarbonylContact O-C 3.59Å; T113-R170 VanDerWaalsContact O-CA 3.31Å; T113-R170 WeakPolarHBondContact O-CA 3.4Å; L167-R170 WeakPolarHBondContact CB-O 3.35Å; L167-R170 WeakPolarHBondContact CD1-O 3.39Å
171	T	86.4	Confident	86.1	Confident	3 Å²	3	53 Å²	53	2%	0.018	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	145.5	175	-38.4	0	0	0	0	109.8	T113 T164 W165	T113-T171 PolarHBondContact N-O 2.96Å; T113-T171 PolarHBondContact O-N 3.07Å; T113-T171 WeakPolarHBondContact OG1-CB 3.45Å; T113-T171 PolarHBondContact OG1-O 2.96Å; T164-T171 WeakPolarHBondContact O-CG2 3.36Å; W165-T171 WeakPolarHBondContact CA-OG1 3.29Å; W165-T171 VanDerWaalsContact CD2-OG1 3.32Å
172	T	88.4	Confident	86	Confident	70 Å²	70	52.3 Å²	52.3	43%	0.429	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	136.7	174.6	56.7	0	0	0	0	110.3	L111 I112	L111-T172 CarbonylContact O-C 3.59Å; L111-T172 VanDerWaalsContact O-CA 3.23Å; L111-T172 WeakPolarHBondContact O-CA 3.36Å; I112-T172 HydrophobicContact CG1-CG2 4.16Å; I112-T172 HydrophobicContact CG2-CG2 4.3Å
173	G	89.1	Confident	86	Confident	16 Å²	16	50 Å²	50	17%	0.165	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	165.2	168.9	0	0	0	0	0	111.3	N110 L111	N110-G173 PolarHBondContact OD1-O 3.48Å; L111-G173 PolarHBondContact N-O 2.98Å; L111-G173 PolarHBondContact O-N 3.48Å
174	A	91.4	Very high	86.2	Confident	74 Å²	74	51.2 Å²	51.2	61%	0.612	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.5	139.7	176.7	0	0	0	0	0	110.6	W109	W109-A174 CarbonylContact O-C 3.58Å; W109-A174 VanDerWaalsContact O-CA 3.29Å; W109-A174 WeakPolarHBondContact O-CA 3.46Å
175	F	92.7	Very high	86.6	Confident	31 Å²	31	48 Å²	48	14%	0.136	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	120.6	171.6	178.3	-110.8	0	0	0	108.8	V108 W109 F134 F159 V161 V177	V108-F175 CarbonylContact C-O 3.6Å; V108-F175 WeakPolarHBondContact CA-O 3.42Å; W109-F175 HydrophobicContact CB-CB 4.38Å; W109-F175 HydrophobicContact CD2-CD1 4.41Å; W109-F175 AromaticContact CE3-CD1 3.69Å; W109-F175 HydrophobicContact CE3-CD1 3.69Å; W109-F175 HydrophobicContact CE3-CE1 4.24Å; W109-F175 HydrophobicContact CZ3-CD1 4.18Å; W109-F175 HydrophobicContact CZ3-CE1 4.27Å; W109-F175 PolarHBondContact N-O 3.49Å; W109-F175 PolarHBondContact O-N 3.49Å; F134-F175 HydrophobicContact CB-CE1 4.25Å; F134-F175 AromaticContact CD1-CD1 3.76Å; F134-F175 HydrophobicContact CD1-CD1 3.76Å; F134-F175 HydrophobicContact CD1-CE1 4.03Å; F134-F175 HydrophobicContact CD2-CD1 4.22Å; F134-F175 HydrophobicContact CD2-CE1 4.36Å; F134-F175 HydrophobicContact CE1-CB 4.42Å; F134-F175 AromaticContact CE1-CD1 3.79Å; F134-F175 HydrophobicContact CE1-CD1 3.79Å; F134-F175 HydrophobicContact CE1-CG 4.39Å; F134-F175 HydrophobicContact CE2-CB 4.45Å; F134-F175 HydrophobicContact CE2-CD1 4.27Å; F134-F175 HydrophobicContact CE2-CG 4.31Å; F134-F175 AromaticContact CG-CD1 4Å; F134-F175 HydrophobicContact CG-CD1 4Å; F134-F175 AromaticContact CG-CE1 3.97Å; F134-F175 HydrophobicContact CG-CE1 3.97Å; F134-F175 HydrophobicContact CZ-CB 4.08Å; F134-F175 HydrophobicContact CZ-CD1 4.08Å; F134-F175 HydrophobicContact CZ-CG 4.24Å; F159-F175 HydrophobicContact CB-CE2 4.4Å; F159-F175 HydrophobicContact CB-CZ 4.05Å; F159-F175 HydrophobicContact CG-CZ 4.26Å; V161-F175 HydrophobicContact CG2-CB 4.18Å; V161-F175 HydrophobicContact CG2-CD2 3.71Å; V161-F175 HydrophobicContact CG2-CE2 4.47Å; V161-F175 HydrophobicContact CG2-CG 4.17Å; F175-V177 HydrophobicContact CD1-CG2 4.12Å; F175-V177 HydrophobicContact CE1-CG2 3.34Å; F175-V177 HydrophobicContact CZ-CG2 3.63Å
176	N	93.5	Very high	87.3	Confident	100 Å²	100	46.7 Å²	46.7	54%	0.535	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	140.9	-178.6	60	-3.1	0	0	0	111.6	M106 A107 V108	M106-N176 HydrophobicContact CE-CB 4.01Å; A107-N176 CarbonylContact O-C 3.57Å; A107-N176 WeakPolarHBondContact O-CA 3.38Å; V108-N176 HydrophobicContact CG2-CB 4.06Å
177	V	91.4	Very high	88.3	Confident	30 Å²	30	41.5 Å²	41.5	18%	0.182	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	120.7	175.4	-178	0	0	0	0	108.3	A107 W109 F175 P180 W185	A107-V177 PolarHBondContact N-O 3.25Å; A107-V177 PolarHBondContact O-N 2.86Å; W109-V177 HydrophobicContact CZ3-CB 4.17Å; W109-V177 HydrophobicContact CZ3-CG2 3.77Å; F175-V177 HydrophobicContact CD1-CG2 4.12Å; F175-V177 HydrophobicContact CE1-CG2 3.34Å; F175-V177 HydrophobicContact CZ-CG2 3.63Å; V177-P180 HydrophobicContact CB-CB 4.31Å; V177-P180 HydrophobicContact CG1-CB 3.85Å; V177-W185 HydrophobicContact CG1-CH2 4.36Å; V177-W185 HydrophobicContact CG2-CH2 4.27Å
178	T	91.8	Very high	89.3	Confident	64 Å²	64	36.9 Å²	36.9	39%	0.393	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	135.7	172.1	51.4	0	0	0	0	109.7	H287	T178-H287 PolarHBondContact OG1-CD2 3.03Å; T178-H287 PolarHBondContact OG1-NE2 3.01Å
179	S	89.6	Confident	90.6	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.021	19%	0.191	C	C	.	.	S	Bend	trans	47.4	60.3	-174.9	-169.1	0	0	0	0	113.3	M105 R280 A283 P284	M105-S179 PolarHBondContact O-N 2.96Å; S179-R280 PolarHBondContact O-NH1 2.95Å; S179-R280 PolarHBondContact OG-NH1 3Å; S179-R280 VanDerWaalsContact OG-NH1 3.09Å; S179-A283 WeakPolarHBondContact OG-CB 3.27Å; S179-P284 WeakPolarHBondContact CB-O 3.19Å; S179-P284 VanDerWaalsContact OG-CD 3.28Å; S179-P284 WeakPolarHBondContact OG-CD 3.36Å; S179-P284 VanDerWaalsContact OG-N 3.15Å; S179-P284 PolarHBondContact OG-O 2.94Å
180	P	92.5	Very high	91.5	Very high	4 Å²	4	31.9 Å²	31.9	3%	0.026	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-68.5	152.8	-178	31.4	-36.3	0	0	0	111.5	V100 T104 A107 V177 W185 A283	V100-P180 HydrophobicContact CG1-CB 4.48Å; V100-P180 HydrophobicContact CG1-CG 4.06Å; T104-P180 HydrophobicContact CG2-CG 3.4Å; A107-P180 HydrophobicContact CB-CB 4.27Å; A107-P180 HydrophobicContact CB-CG 3.86Å; V177-P180 HydrophobicContact CB-CB 4.31Å; V177-P180 HydrophobicContact CG1-CB 3.85Å; P180-W185 HydrophobicContact CB-CZ2 3.96Å; P180-A283 WeakPolarHBondContact O-CB 3.19Å
181	L	90.6	Very high	91.8	Very high	47 Å²	47	26 Å²	26	25%	0.246	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-66.4	133.3	169.7	-66.9	175	0	0	0	109.9	W185 R282	L181-W185 PolarHBondContact O-NE1 3.05Å; L181-R282 HydrophobicContact CD2-CB 4.02Å
182	P	91.5	Very high	92	Very high	18 Å²	18	28.7 Å²	28.7	12%	0.117	18%	0.181	C	C	.	.	S	Bend	trans	-73.1	160.1	175.9	32.1	-36.5	0	0	0	111.3	V100 E102 R282	V100-P182 WeakPolarHBondContact O-CA 2.89Å; E102-P182 HydrophobicContact CG-CB 4.13Å; P182-R282 WeakPolarHBondContact CD-O 3.45Å; P182-R282 HydrophobicContact CG-CB 4.36Å; P182-R282 VanDerWaalsContact CG-O 3.29Å; P182-R282 WeakPolarHBondContact CG-O 3.31Å
183	G	91.2	Very high	91.8	Very high	26 Å²	26	29.3 Å²	29.3	27%	0.268	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	103.9	-153.5	179.8	0	0	0	0	0	112.9	V100	V100-G183 PolarHBondContact N-O 3.49Å; V100-G183 PolarHBondContact O-N 3.09Å
184	D	91.4	Very high	91.1	Very high	34 Å²	34	32.5 Å²	32.5	18%	0.182	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	139.9	-172.9	-62.5	-42.8	0	0	0	112.7	H97 F98 N99 S136 G137 F186	H97-D184 IonicContact CD2-OD1 2.76Å; H97-D184 IonicContact CE1-OD1 3.09Å; H97-D184 VanDerWaalsContact NE2-CG 3.35Å; H97-D184 IonicContact NE2-OD1 3.92Å; H97-D184 PolarHBondContact NE2-OD1 2.71Å; F98-D184 CarbonylContact O-C 3.59Å; F98-D184 WeakPolarHBondContact O-CA 3.28Å; N99-D184 PolarHBondContact ND2-OD1 3.42Å; S136-D184 CarbonylContact C-O 3.59Å; G137-D184 PolarHBondContact N-O 3.33Å; D184-F186 HydrophobicContact CB-CE2 3.76Å; D184-F186 HydrophobicContact CB-CZ 4.33Å
185	W	93.3	Very high	89.8	Confident	12 Å²	12	38.1 Å²	38.1	5%	0.045	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	132.1	174.4	-80.6	71.2	0	0	0	109.4	F98 V100 W109 V177 P180 L181	F98-W185 PolarHBondContact N-O 2.9Å; F98-W185 PolarHBondContact O-N 2.76Å; V100-W185 HydrophobicContact CG2-CD2 4.49Å; V100-W185 HydrophobicContact CG2-CG 3.9Å; W109-W185 AromaticContact CH2-CD2 3.68Å; W109-W185 HydrophobicContact CH2-CD2 3.68Å; W109-W185 AromaticContact CH2-CE3 3.48Å; W109-W185 HydrophobicContact CH2-CE3 3.48Å; W109-W185 VanDerWaalsContact CH2-CE3 3.48Å; W109-W185 HydrophobicContact CH2-CG 4.3Å; W109-W185 HydrophobicContact CH2-CH2 4.13Å; W109-W185 HydrophobicContact CH2-CZ2 4.3Å; W109-W185 AromaticContact CH2-CZ3 3.72Å; W109-W185 HydrophobicContact CH2-CZ3 3.72Å; W109-W185 HydrophobicContact CZ2-CB 4.09Å; W109-W185 AromaticContact CZ2-CD2 3.77Å; W109-W185 HydrophobicContact CZ2-CD2 3.77Å; W109-W185 AromaticContact CZ2-CE3 3.68Å; W109-W185 HydrophobicContact CZ2-CE3 3.68Å; W109-W185 AromaticContact CZ2-CG 3.98Å; W109-W185 HydrophobicContact CZ2-CG 3.98Å; W109-W185 HydrophobicContact CZ2-CZ3 4.36Å; W109-W185 HydrophobicContact CZ3-CE3 4.4Å; W109-W185 HydrophobicContact CZ3-CZ3 4.28Å; V177-W185 HydrophobicContact CG1-CH2 4.36Å; V177-W185 HydrophobicContact CG2-CH2 4.27Å; P180-W185 HydrophobicContact CB-CZ2 3.96Å; L181-W185 PolarHBondContact O-NE1 3.05Å
186	F	93.6	Very high	88.1	Confident	3 Å²	3	37.8 Å²	37.8	1%	0.013	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	135	-177.4	-66.9	-90.5	0	0	0	110.8	L95 F96 H97 F134 R135 A138 P139 D184 Y575	L95-F186 HydrophobicContact CD1-CB 4.3Å; L95-F186 HydrophobicContact CD1-CD1 4.39Å; L95-F186 HydrophobicContact CD2-CD1 3.98Å; L95-F186 HydrophobicContact CD2-CE1 4.43Å; L95-F186 HydrophobicContact CG-CD1 4.24Å; F96-F186 CarbonylContact O-C 3.37Å; F96-F186 WeakPolarHBondContact O-CA 3.38Å; H97-F186 HydrophobicContact CB-CD1 4.19Å; H97-F186 HydrophobicContact CB-CE1 4Å; H97-F186 AromaticContact CD2-CE1 3.75Å; H97-F186 AromaticContact CD2-CZ 3.7Å; F134-F186 WeakPolarHBondContact CA-O 3.42Å; R135-F186 PolarHBondContact N-O 3.47Å; R135-F186 PolarHBondContact O-N 2.93Å; A138-F186 WeakPolarHBondContact O-CD2 3.42Å; P139-F186 HydrophobicContact CG-CD1 4.01Å; P139-F186 HydrophobicContact CG-CE1 4.23Å; P139-F186 HydrophobicContact CG-CG 4.18Å; D184-F186 HydrophobicContact CB-CE2 3.76Å; D184-F186 HydrophobicContact CB-CZ 4.33Å; F186-Y575 HydrophobicContact CE1-CD1 4.03Å; F186-Y575 AromaticContact CE1-CD2 3.66Å; F186-Y575 HydrophobicContact CE1-CD2 3.66Å; F186-Y575 AromaticContact CE1-CE1 3.89Å; F186-Y575 HydrophobicContact CE1-CE1 3.89Å; F186-Y575 AromaticContact CE1-CE2 3.52Å; F186-Y575 HydrophobicContact CE1-CE2 3.52Å; F186-Y575 AromaticContact CE1-CG 3.93Å; F186-Y575 HydrophobicContact CE1-CG 3.93Å; F186-Y575 AromaticContact CE1-CZ 3.66Å; F186-Y575 AromaticContact CZ-CD2 3.86Å; F186-Y575 HydrophobicContact CZ-CD2 3.86Å; F186-Y575 HydrophobicContact CZ-CE1 4.49Å; F186-Y575 AromaticContact CZ-CE2 3.42Å; F186-Y575 HydrophobicContact CZ-CE2 3.42Å; F186-Y575 VanDerWaalsContact CZ-CE2 3.42Å; F186-Y575 AromaticContact CZ-CZ 3.8Å
187	L	95	Very high	85.8	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	130.9	175.8	-78.9	63.8	0	0	0	108.9	L95 F96 F98 L111 V132 Y133 F134 P213	L95-L187 CarbonylContact C-O 3.53Å; L95-L187 WeakPolarHBondContact CA-O 3.19Å; F96-L187 HydrophobicContact CB-CB 4.16Å; F96-L187 PolarHBondContact N-O 2.85Å; F96-L187 PolarHBondContact O-N 3.47Å; F98-L187 HydrophobicContact CD2-CD1 4.01Å; F98-L187 HydrophobicContact CE2-CD1 4.36Å; F98-L187 HydrophobicContact CE2-CD2 4.13Å; L111-L187 HydrophobicContact CD2-CD2 4.3Å; V132-L187 HydrophobicContact CG1-CB 4.27Å; V132-L187 HydrophobicContact CG1-CD2 4.31Å; V132-L187 HydrophobicContact CG1-CG 4.34Å; Y133-L187 CarbonylContact O-C 3.51Å; Y133-L187 WeakPolarHBondContact O-CA 3.3Å; F134-L187 HydrophobicContact CD1-CD1 3.66Å; F134-L187 HydrophobicContact CD1-CD2 4.12Å; F134-L187 HydrophobicContact CD1-CG 3.55Å; F134-L187 HydrophobicContact CE1-CD1 3.89Å; F134-L187 HydrophobicContact CE1-CD2 3.48Å; F134-L187 VanDerWaalsContact CE1-CD2 3.48Å; F134-L187 HydrophobicContact CE1-CG 3.45Å; F134-L187 VanDerWaalsContact CE1-CG 3.45Å; F134-L187 HydrophobicContact CG-CG 4.35Å; F134-L187 HydrophobicContact CZ-CD2 4.04Å; F134-L187 HydrophobicContact CZ-CG 4.15Å; L187-P213 HydrophobicContact CD2-CB 3.9Å
188	A	94.6	Very high	83.8	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	119.2	173.4	0	0	0	0	0	109.3	V93 L95 V132 Y133 P140	V93-A188 HydrophobicContact CG1-CB 3.54Å; L95-A188 HydrophobicContact CD1-CB 4.42Å; V132-A188 CarbonylContact C-O 3.59Å; V132-A188 VanDerWaalsContact CA-O 3.31Å; V132-A188 WeakPolarHBondContact CA-O 3.36Å; Y133-A188 PolarHBondContact N-O 3.01Å; Y133-A188 PolarHBondContact O-N 3.35Å; P140-A188 HydrophobicContact CG-CB 3.38Å
189	A	94.8	Very high	81.6	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	139.5	-179.7	0	0	0	0	0	111.1	L84 E94 F96 T131 V132 F211	L84-A189 HydrophobicContact CD2-CB 3.8Å; E94-A189 PolarHBondContact N-O 3.36Å; E94-A189 PolarHBondContact O-N 2.98Å; F96-A189 HydrophobicContact CE2-CB 4.29Å; T131-A189 WeakPolarHBondContact O-CA 3.42Å; V132-A189 HydrophobicContact CG2-CB 4.12Å; A189-F211 HydrophobicContact CB-CD1 3.56Å; A189-F211 HydrophobicContact CB-CE1 3.62Å; A189-F211 HydrophobicContact CB-CG 4.26Å; A189-F211 HydrophobicContact CB-CZ 4.34Å
190	H	94.1	Very high	79.3	Confident	7 Å²	7	46.3 Å²	46.3	3%	0.032	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	161.7	177	70.3	83.2	0	0	0	111.8	F87 V93 T131 Y133	F87-H190 HydrophobicContact CB-CB 4.24Å; F87-H190 WeakPolarHBondContact CB-ND1 3.38Å; F87-H190 HydrophobicContact CD2-CB 4.09Å; F87-H190 AromaticContact CD2-CD2 3.85Å; F87-H190 AromaticContact CD2-CG 3.72Å; F87-H190 AromaticContact CD2-ND1 3.94Å; F87-H190 AromaticContact CG-ND1 3.99Å; V93-H190 HydrophobicContact CG2-CB 4.38Å; T131-H190 PolarHBondContact N-O 3.23Å; T131-H190 PolarHBondContact O-N 3.18Å; Y133-H190 AromaticContact CE2-CD2 3.83Å; Y133-H190 AromaticContact CE2-NE2 3.41Å; Y133-H190 WeakPolarHBondContact CE2-NE2 3.42Å
191	L	91.7	Very high	76.8	Confident	5 Å²	5	51.1 Å²	51.1	3%	0.026	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-87.9	159.7	165.6	-69.3	166.3	0	0	0	110.1	L84 N85 F87 R128 V130 Y209	L84-L191 HydrophobicContact CB-CD1 4.05Å; L84-L191 HydrophobicContact CB-CG 3.85Å; L84-L191 HydrophobicContact CD1-CG 4.48Å; L84-L191 WeakPolarHBondContact O-CD1 3.39Å; N85-L191 WeakPolarHBondContact O-CB 3.32Å; N85-L191 PolarHBondContact O-N 3.46Å; F87-L191 VanDerWaalsContact CB-O 3.3Å; F87-L191 WeakPolarHBondContact CB-O 3.39Å; F87-L191 PolarHBondContact N-O 2.95Å; R128-L191 HydrophobicContact CB-CD2 3.99Å; V130-L191 HydrophobicContact CG2-CD2 3.83Å; L191-Y209 HydrophobicContact CD1-CD2 3.61Å; L191-Y209 HydrophobicContact CD1-CE2 4.4Å; L191-Y209 HydrophobicContact CD1-CG 4.05Å; L191-Y209 HydrophobicContact CD2-CD2 4.28Å; L191-Y209 HydrophobicContact CD2-CG 4.06Å
192	P	89.1	Confident	74.6	Confident	59 Å²	59	51.8 Å²	51.8	38%	0.383	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-58.3	160.2	170.5	26.1	-36.4	0	0	0	111.2	A86 R128 N129 D194	A86-P192 WeakPolarHBondContact CA-O 3.49Å; A86-P192 VanDerWaalsContact CB-O 3.25Å; A86-P192 WeakPolarHBondContact CB-O 3.47Å; R128-P192 HydrophobicContact CB-CG 4.49Å; N129-P192 WeakPolarHBondContact O-CD 3.45Å; P192-D194 PolarHBondContact O-N 3.03Å
193	K	84.1	Confident	72.2	Confident	82 Å²	82	56.4 Å²	56.4	36%	0.357	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-55.7	136	174.3	-172.2	176.6	179.1	-177.5	0	109.4	L145 E596	L145-K193 HydrophobicContact CD1-CD 4.37Å; L145-K193 HydrophobicContact CD2-CB 4.17Å; L145-K193 HydrophobicContact CD2-CD 4.07Å; K193-E596 VanDerWaalsContact NZ-CD 3.31Å; K193-E596 IonicContact NZ-OE1 3.63Å; K193-E596 PolarHBondContact NZ-OE1 3.32Å; K193-E596 VanDerWaalsContact NZ-OE1 3.16Å; K193-E596 IonicContact NZ-OE2 2.59Å; K193-E596 PolarHBondContact NZ-OE2 3.39Å
194	D	75.9	Confident	70.2	Confident	84 Å²	84	58 Å²	58	45%	0.449	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-69.7	142.1	179.6	-96.7	-40.4	0	0	0	111	A86 R128 P192 G196	A86-D194 HydrophobicContact CB-CB 3.93Å; A86-D194 VanDerWaalsContact CB-CG 3.48Å; A86-D194 WeakPolarHBondContact CB-OD2 3.48Å; R128-D194 IonicContact CZ-OD1 3.66Å; R128-D194 IonicContact NH1-OD1 3.69Å; R128-D194 PolarHBondContact NH1-OD1 3.36Å; R128-D194 IonicContact NH1-OD2 3.14Å; R128-D194 IonicContact NH2-OD1 3.35Å; R128-D194 PolarHBondContact NH2-OD1 3.43Å; P192-D194 PolarHBondContact O-N 3.03Å; D194-G196 PolarHBondContact O-N 2.94Å; D194-G196 VanDerWaalsContact O-N 3.14Å
195	E	64.3	Low	68.6	Low	191 Å²	191	61.6 Å²	61.6	89%	0.893	33%	0.333	S	S	*	.			trans	-79.3	20.9	178.3	-62.8	-177.4	173.2	0	0	113.2	K197	E195-K197 VanDerWaalsContact C-N 3.31Å; E195-K197 PolarHBondContact O-N 3.5Å
196	G	55.8	Low	67.3	Low	24 Å²	24	64.8 Å²	64.8	25%	0.247	35%	0.348	C	S	.	.			trans	69.7	13.8	171.7	0	0	0	0	0	116.9	D194 I198	D194-G196 PolarHBondContact O-N 2.94Å; D194-G196 VanDerWaalsContact O-N 3.14Å; G196-I198 PolarHBondContact O-N 3.28Å
197	K	46.1	Very low	66.6	Low	194 Å²	194	66.5 Å²	66.5	84%	0.843	36%	0.36	S	S	*	.			trans	-86.4	103	179.7	-163.6	175.6	-175.8	179.5	0	111.1	E195 S199	E195-K197 VanDerWaalsContact C-N 3.31Å; E195-K197 PolarHBondContact O-N 3.5Å; K197-S199 PolarHBondContact O-N 3.35Å
198	I	48.8	Very low	66.1	Low	74 Å²	74	70 Å²	70	38%	0.379	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-64.4	128	169.3	-48	-173.4	0	0	0	109.1	G196 T773 E774	G196-I198 PolarHBondContact O-N 3.28Å; I198-T773 VanDerWaalsContact CD1-C 3.49Å; I198-E774 HydrophobicContact CB-CG 4.48Å; I198-E774 HydrophobicContact CD1-CB 4.12Å; I198-E774 HydrophobicContact CD1-CG 3.35Å; I198-E774 HydrophobicContact CG1-CB 4.1Å; I198-E774 HydrophobicContact CG1-CG 3.04Å
199	S	45.1	Very low	65.8	Low	54 Å²	54	70.5 Å²	70.5	38%	0.378	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-98.1	123.7	155.1	53.6	0	0	0	0	109.5	K197 K201 S204	K197-S199 PolarHBondContact O-N 3.35Å; S199-K201 PolarHBondContact O-N 2.95Å; S199-S204 WeakPolarHBondContact CB-OG 3.44Å
200	V	42.6	Very low	65.7	Low	55 Å²	55	71.5 Å²	71.5	33%	0.333	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-59.7	121.1	176	-178.1	0	0	0	0	109.3	G202 L203	V200-G202 PolarHBondContact O-N 3.1Å; V200-L203 HydrophobicContact CB-CD1 4.39Å; V200-L203 HydrophobicContact CG1-CD1 4.22Å; V200-L203 PolarHBondContact O-N 3.44Å
201	K	39.4	Very low	65.7	Low	104 Å²	104	71.1 Å²	71.1	45%	0.452	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-54.9	122.2	178.2	-80.8	-177.1	175.1	176	0	110.3	S199 E206 H712	S199-K201 PolarHBondContact O-N 2.95Å; K201-E206 WeakPolarHBondContact CE-OE1 3.24Å; K201-E206 WeakPolarHBondContact CG-OE1 3.25Å; K201-H712 HydrophobicContact CB-CB 4.3Å; K201-H712 HydrophobicContact CD-CB 3.98Å
202	G	44.9	Very low	65.8	Low	61 Å²	61	73 Å²	73	63%	0.629	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.8	-5.9	177.2	0	0	0	0	0	116.5	V200	V200-G202 PolarHBondContact O-N 3.1Å
203	L	41.3	Very low	66.1	Low	115 Å²	115	70.2 Å²	70.2	60%	0.602	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	-21.8	168	-97.2	135.7	0	0	0	112.9	V200 L714	V200-L203 HydrophobicContact CB-CD1 4.39Å; V200-L203 HydrophobicContact CG1-CD1 4.22Å; V200-L203 PolarHBondContact O-N 3.44Å; L203-L714 HydrophobicContact CD1-CD2 3.8Å; L203-L714 HydrophobicContact CG-CD2 4.07Å
204	S	48.6	Very low	66.7	Low	59 Å²	59	69 Å²	69	41%	0.413	37%	0.368	S	S	.	.	B	Isolated β-bridge	trans	-139.9	139.8	170.6	57.4	0	0	0	0	109.9	S199 E206	S199-S204 WeakPolarHBondContact CB-OG 3.44Å; S204-E206 PolarHBondContact O-N 3.06Å
205	E	57.3	Low	67.6	Low	110 Å²	110	65 Å²	65	51%	0.514	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-69.9	127.2	174.5	-64.9	178.4	152.2	0	0	110	Q117 C207	Q117-E205 HydrophobicContact CG-CB 3.52Å; Q117-E205 HydrophobicContact CG-CG 4.48Å; Q117-E205 VanDerWaalsContact CG-OE2 3.26Å; Q117-E205 WeakPolarHBondContact CG-OE2 3.46Å; Q117-E205 PolarHBondContact NE2-OE2 2.92Å; E205-C207 PolarHBondContact O-N 3.21Å
206	E	67	Low	69.1	Low	80 Å²	80	58.1 Å²	58.1	37%	0.374	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-68.4	124.9	178.1	-75	-178.4	-171.2	0	0	110.6	K201 S204 Q208	K201-E206 WeakPolarHBondContact CE-OE1 3.24Å; K201-E206 WeakPolarHBondContact CG-OE1 3.25Å; S204-E206 PolarHBondContact O-N 3.06Å; E206-Q208 PolarHBondContact O-N 3.22Å
207	C	78.1	Confident	71	Confident	38 Å²	38	57 Å²	57	26%	0.257	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	122.2	172.9	-71.3	0	0	0	0	111	C125 E205 Y209	C125-C207 WeakPolarHBondContact CA-SG 3.26Å; C125-C207 HydrophobicContact CB-CB 3.74Å; C125-C207 WeakPolarHBondContact CB-SG 3.37Å; C125-C207 WeakPolarHBondContact SG-CB 3.37Å; C125-C207 CovalentContact SG-SG 2.03Å; C125-C207 PolarHBondContact SG-SG 3.21Å; E205-C207 PolarHBondContact O-N 3.21Å; C207-Y209 HydrophobicContact CB-CE2 4.11Å
208	Q	84.9	Confident	73.3	Confident	74 Å²	74	50.5 Å²	50.5	35%	0.346	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	129.8	175.3	-57.9	-168.3	5.2	0	0	109.9	K115 E116 E206	K115-Q208 CarbonylContact C-O 3.56Å; K115-Q208 WeakPolarHBondContact CA-O 3.27Å; E116-Q208 PolarHBondContact N-O 3.21Å; E116-Q208 PolarHBondContact O-N 3.04Å; E206-Q208 PolarHBondContact O-N 3.22Å
209	Y	88.3	Confident	75.3	Confident	10 Å²	10	49.6 Å²	49.6	4%	0.039	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	120.8	174.8	-56.9	-91	0	0	0	108.4	K83 L84 K115 P126 R128 W165 L191 C207	K83-Y209 WeakPolarHBondContact CA-O 3.36Å; L84-Y209 PolarHBondContact N-O 3.19Å; K115-Y209 HydrophobicContact CB-CD1 4.11Å; K115-Y209 HydrophobicContact CB-CE1 4.17Å; P126-Y209 WeakPolarHBondContact CD-OH 3.28Å; P126-Y209 WeakPolarHBondContact CG-OH 3.18Å; P126-Y209 WeakPolarHBondContact O-CE1 3.34Å; P126-Y209 PolarHBondContact O-OH 2.64Å; R128-Y209 HydrophobicContact CB-CE1 4.39Å; W165-Y209 HydrophobicContact CH2-CD1 4.12Å; W165-Y209 AromaticContact CZ2-CD1 3.71Å; W165-Y209 HydrophobicContact CZ2-CD1 3.71Å; W165-Y209 HydrophobicContact CZ2-CE1 4.08Å; L191-Y209 HydrophobicContact CD1-CD2 3.61Å; L191-Y209 HydrophobicContact CD1-CE2 4.4Å; L191-Y209 HydrophobicContact CD1-CG 4.05Å; L191-Y209 HydrophobicContact CD2-CD2 4.28Å; L191-Y209 HydrophobicContact CD2-CG 4.06Å; C207-Y209 HydrophobicContact CB-CE2 4.11Å
210	L	91.6	Very high	77.3	Confident	21 Å²	21	47.9 Å²	47.9	11%	0.11	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	139.2	-179	-67.9	165.6	0	0	0	109.6	P81 R82 K83 T113 F114 E116	P81-L210 HydrophobicContact CB-CB 4.48Å; R82-L210 WeakPolarHBondContact O-CA 3.48Å; K83-L210 HydrophobicContact CB-CD2 4.11Å; T113-L210 WeakPolarHBondContact CA-O 3.26Å; F114-L210 HydrophobicContact CD1-CB 4.22Å; F114-L210 HydrophobicContact CD2-CB 3.87Å; F114-L210 HydrophobicContact CD2-CD1 3.95Å; F114-L210 HydrophobicContact CD2-CG 4.49Å; F114-L210 HydrophobicContact CE1-CB 3.83Å; F114-L210 HydrophobicContact CE2-CB 3.48Å; F114-L210 VanDerWaalsContact CE2-CB 3.48Å; F114-L210 HydrophobicContact CE2-CD1 3.21Å; F114-L210 HydrophobicContact CE2-CG 3.96Å; F114-L210 HydrophobicContact CG-CB 4.24Å; F114-L210 HydrophobicContact CZ-CB 3.44Å; F114-L210 VanDerWaalsContact CZ-CB 3.44Å; F114-L210 HydrophobicContact CZ-CD1 3.77Å; F114-L210 HydrophobicContact CZ-CG 4.22Å; F114-L210 PolarHBondContact N-O 2.72Å; F114-L210 PolarHBondContact O-N 3.21Å; E116-L210 HydrophobicContact CG-CD1 4.05Å; E116-L210 WeakPolarHBondContact OE2-CD1 3.3Å
211	F	94.1	Very high	79.4	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	130.6	179.1	175.5	-112.9	0	0	0	111.2	P81 R82 L84 F96 L111 I112 T113 V132 L163 A189 P213	P81-F211 WeakPolarHBondContact CA-O 3.36Å; R82-F211 PolarHBondContact N-O 3.24Å; R82-F211 PolarHBondContact O-N 3.25Å; L84-F211 HydrophobicContact CD1-CB 3.72Å; L84-F211 HydrophobicContact CD1-CG 4.44Å; L84-F211 HydrophobicContact CD2-CB 3.87Å; L84-F211 HydrophobicContact CG-CB 3.78Å; F96-F211 HydrophobicContact CD2-CD1 4.23Å; F96-F211 HydrophobicContact CD2-CE1 4.08Å; F96-F211 AromaticContact CE2-CD1 3.44Å; F96-F211 HydrophobicContact CE2-CD1 3.44Å; F96-F211 VanDerWaalsContact CE2-CD1 3.44Å; F96-F211 AromaticContact CE2-CE1 3.74Å; F96-F211 HydrophobicContact CE2-CE1 3.74Å; F96-F211 AromaticContact CZ-CD1 3.59Å; F96-F211 HydrophobicContact CZ-CD1 3.59Å; F96-F211 HydrophobicContact CZ-CE1 4.18Å; L111-F211 HydrophobicContact CB-CE2 4.03Å; L111-F211 HydrophobicContact CB-CZ 4.47Å; L111-F211 HydrophobicContact CD2-CE2 4.44Å; L111-F211 HydrophobicContact CD2-CZ 4.05Å; I112-F211 WeakPolarHBondContact O-CA 3.49Å; I112-F211 WeakPolarHBondContact O-CD2 3.37Å; T113-F211 HydrophobicContact CG2-CB 4.48Å; T113-F211 HydrophobicContact CG2-CD2 3.56Å; T113-F211 HydrophobicContact CG2-CE2 4.29Å; T113-F211 HydrophobicContact CG2-CG 4.46Å; V132-F211 HydrophobicContact CB-CZ 4.49Å; V132-F211 HydrophobicContact CG1-CE1 4.45Å; V132-F211 HydrophobicContact CG1-CZ 4.05Å; V132-F211 HydrophobicContact CG2-CE1 4.31Å; V132-F211 HydrophobicContact CG2-CE2 3.85Å; V132-F211 HydrophobicContact CG2-CZ 3.6Å; L163-F211 HydrophobicContact CD1-CE2 4.13Å; A189-F211 HydrophobicContact CB-CD1 3.56Å; A189-F211 HydrophobicContact CB-CE1 3.62Å; A189-F211 HydrophobicContact CB-CG 4.26Å; A189-F211 HydrophobicContact CB-CZ 4.34Å; F211-P213 HydrophobicContact CE1-CB 4.09Å; F211-P213 HydrophobicContact CE1-CG 3.96Å; F211-P213 HydrophobicContact CZ-CB 4.09Å; F211-P213 HydrophobicContact CZ-CG 4.47Å
212	Q	94.6	Very high	81.6	Confident	45 Å²	45	47.7 Å²	47.7	21%	0.21	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	108.7	-179.5	-167.8	-176.9	5.9	0	0	110.7	T78 R79 P81 I112 F114	T78-Q212 PolarHBondContact OG1-NE2 3.38Å; R79-Q212 WeakPolarHBondContact O-CG 3.49Å; R79-Q212 PolarHBondContact O-NE2 3.45Å; P81-Q212 HydrophobicContact CB-CB 4.17Å; I112-Q212 HydrophobicContact CB-CB 4.43Å; I112-Q212 WeakPolarHBondContact CB-O 3.26Å; I112-Q212 PolarHBondContact N-O 2.98Å; I112-Q212 PolarHBondContact O-N 3.34Å; F114-Q212 HydrophobicContact CE1-CB 4.45Å
213	P	95.5	Very high	83.6	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	142.7	172.3	31.8	-29.9	0	0	0	112	R79 F96 F98 L111 L187 F211	R79-P213 HydrophobicContact CB-CG 4.3Å; R79-P213 PolarHBondContact N-O 3.48Å; F96-P213 HydrophobicContact CB-CG 4.08Å; F96-P213 HydrophobicContact CD1-CG 3.47Å; F96-P213 VanDerWaalsContact CD1-CG 3.47Å; F96-P213 HydrophobicContact CD2-CG 4.24Å; F96-P213 HydrophobicContact CE1-CG 3.86Å; F96-P213 HydrophobicContact CG-CG 3.67Å; F96-P213 HydrophobicContact CZ-CG 4.41Å; F98-P213 HydrophobicContact CE2-CB 4Å; F98-P213 HydrophobicContact CE2-CG 3.94Å; F98-P213 HydrophobicContact CZ-CB 3.9Å; F98-P213 HydrophobicContact CZ-CG 3.9Å; L111-P213 HydrophobicContact CD2-CB 4.35Å; L187-P213 HydrophobicContact CD2-CB 3.9Å; F211-P213 HydrophobicContact CE1-CB 4.09Å; F211-P213 HydrophobicContact CE1-CG 3.96Å; F211-P213 HydrophobicContact CZ-CB 4.09Å; F211-P213 HydrophobicContact CZ-CG 4.47Å
214	Q	95.9	Very high	85.9	Confident	56 Å²	56	43.1 Å²	43.1	26%	0.262	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	144.2	171.9	-56.8	175.2	-14.4	0	0	108.9	F77 W109 N110 I112	F77-Q214 CarbonylContact O-C 3.54Å; F77-Q214 WeakPolarHBondContact O-CA 3.2Å; W109-Q214 CarbonylContact C-O 3.53Å; W109-Q214 WeakPolarHBondContact CA-O 3.47Å; N110-Q214 HydrophobicContact CB-CB 4.25Å; N110-Q214 PolarHBondContact N-O 2.99Å; N110-Q214 PolarHBondContact ND2-OE1 3.19Å; N110-Q214 PolarHBondContact O-N 2.93Å; I112-Q214 HydrophobicContact CD1-CG 4.45Å
215	L	96.1	Very high	88	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	128.6	177.8	166.9	65.1	0	0	0	109.2	F77 F98 V100 A107 W109 V217	F77-L215 HydrophobicContact CB-CB 4.24Å; F77-L215 HydrophobicContact CD2-CD2 4.1Å; F77-L215 HydrophobicContact CD2-CG 4.22Å; F77-L215 PolarHBondContact N-O 3.22Å; F77-L215 PolarHBondContact O-N 2.91Å; F98-L215 HydrophobicContact CB-CD2 3.82Å; F98-L215 HydrophobicContact CD1-CB 3.63Å; F98-L215 HydrophobicContact CD1-CD2 3.89Å; F98-L215 HydrophobicContact CD1-CG 4.41Å; F98-L215 HydrophobicContact CE1-CB 3.78Å; F98-L215 HydrophobicContact CG-CB 4.31Å; F98-L215 HydrophobicContact CG-CD2 4.12Å; V100-L215 HydrophobicContact CG2-CD2 4.15Å; A107-L215 HydrophobicContact CB-CD1 4.02Å; W109-L215 HydrophobicContact CD2-CD1 3.93Å; W109-L215 HydrophobicContact CE3-CD1 4.4Å; W109-L215 HydrophobicContact CG-CD1 4.31Å; W109-L215 HydrophobicContact CH2-CD1 4.42Å; W109-L215 HydrophobicContact CZ2-CD1 3.94Å; L215-V217 HydrophobicContact CD1-CG2 3.83Å; L215-V217 HydrophobicContact CD2-CG2 3.81Å; L215-V217 HydrophobicContact CG-CG2 3.65Å
216	I	95.9	Very high	89.6	Confident	47 Å²	47	37.9 Å²	37.9	24%	0.241	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	123.4	174.6	-51.3	173.7	0	0	0	107	T74 D75 Y76 A107 V108	T74-I216 HydrophobicContact CG2-CG2 3.62Å; D75-I216 WeakPolarHBondContact O-CA 3.49Å; Y76-I216 HydrophobicContact CD1-CB 4.33Å; Y76-I216 HydrophobicContact CD1-CD1 4.18Å; Y76-I216 HydrophobicContact CD1-CG1 3.69Å; Y76-I216 HydrophobicContact CD1-CG2 4.02Å; Y76-I216 HydrophobicContact CE1-CB 4.27Å; Y76-I216 HydrophobicContact CE1-CD1 3.78Å; Y76-I216 HydrophobicContact CE1-CG1 3.74Å; Y76-I216 HydrophobicContact CE1-CG2 3.63Å; A107-I216 CarbonylContact C-O 3.5Å; A107-I216 WeakPolarHBondContact CA-O 3.43Å; V108-I216 HydrophobicContact CB-CB 4.41Å; V108-I216 PolarHBondContact N-O 3.49Å; V108-I216 PolarHBondContact O-N 2.95Å
217	V	95.4	Very high	90.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	128.7	-176.3	-174.7	0	0	0	0	109.4	T74 D75 F77 P101 T104 L215 K219	T74-V217 CarbonylContact C-O 3.56Å; T74-V217 VanDerWaalsContact CA-O 3.26Å; T74-V217 WeakPolarHBondContact CA-O 3.34Å; D75-V217 PolarHBondContact N-O 2.98Å; D75-V217 PolarHBondContact O-N 3.49Å; F77-V217 HydrophobicContact CD2-CG2 4.15Å; F77-V217 HydrophobicContact CE2-CB 4.48Å; F77-V217 HydrophobicContact CE2-CG2 3.94Å; P101-V217 HydrophobicContact CG-CG1 3.97Å; T104-V217 HydrophobicContact CG2-CG1 3.37Å; T104-V217 VanDerWaalsContact OG1-CG1 3.25Å; T104-V217 WeakPolarHBondContact OG1-CG1 3.35Å; L215-V217 HydrophobicContact CD1-CG2 3.83Å; L215-V217 HydrophobicContact CD2-CG2 3.81Å; L215-V217 HydrophobicContact CG-CG2 3.65Å; V217-K219 HydrophobicContact CG1-CG 3.95Å
218	Q	93.4	Very high	91.2	Very high	58 Å²	58	41.6 Å²	41.6	27%	0.271	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	113.5	170.6	-165.4	-178.3	22.9	0	0	109.6	F72 M105 M106	F72-Q218 HydrophobicContact CB-CG 4.09Å; F72-Q218 HydrophobicContact CD1-CG 3.88Å; F72-Q218 HydrophobicContact CG-CG 4.31Å; M105-Q218 PolarHBondContact N-O 3.3Å; M106-Q218 HydrophobicContact CB-CB 4.24Å; M106-Q218 PolarHBondContact N-O 3.04Å; M106-Q218 PolarHBondContact O-N 3.41Å
219	K	90.8	Very high	91.2	Very high	55 Å²	55	40.6 Å²	40.6	24%	0.239	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	149.2	-179.3	-61.4	178.4	69.1	-178.6	0	111.4	F72 V73 D75 P101 E102 D103 V217	F72-K219 CarbonylContact C-O 3.53Å; F72-K219 VanDerWaalsContact CA-O 3.29Å; F72-K219 WeakPolarHBondContact CA-O 3.5Å; V73-K219 PolarHBondContact N-O 2.88Å; V73-K219 PolarHBondContact O-N 2.84Å; D75-K219 WeakPolarHBondContact OD2-CD 3.36Å; P101-K219 HydrophobicContact CB-CD 4.07Å; P101-K219 HydrophobicContact CG-CD 3.58Å; P101-K219 HydrophobicContact CG-CG 4.03Å; E102-K219 VanDerWaalsContact O-CE 3.28Å; E102-K219 WeakPolarHBondContact O-CE 3.23Å; D103-K219 WeakPolarHBondContact O-CA 3.33Å; V217-K219 HydrophobicContact CG1-CG 3.95Å
220	L	88.3	Confident	91.3	Very high	18 Å²	18	48.2 Å²	48.2	9%	0.094	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	129.1	174.5	-179.2	59.5	0	0	0	110.3	C70 F72 D103 I223 L244	C70-L220 HydrophobicContact CB-CD1 3.38Å; F72-L220 HydrophobicContact CD1-CD1 4.38Å; F72-L220 HydrophobicContact CE1-CD1 4.07Å; F72-L220 HydrophobicContact CZ-CD1 4.33Å; D103-L220 PolarHBondContact O-N 2.8Å; L220-I223 HydrophobicContact CB-CD1 4.19Å; L220-I223 HydrophobicContact CB-CG1 4.45Å; L220-I223 HydrophobicContact CD2-CD1 3.86Å; L220-I223 HydrophobicContact CD2-CG1 3.8Å; L220-I223 HydrophobicContact CG-CD1 4Å; L220-I223 HydrophobicContact CG-CG1 3.8Å; L220-L244 HydrophobicContact CD2-CD2 3.52Å
221	I	86.4	Confident	91.2	Very high	85 Å²	85	51.3 Å²	51.3	44%	0.436	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	149.1	178.6	-56	-170.3	0	0	0	110	L71 V73	L71-I221 HydrophobicContact CB-CB 4.43Å; L71-I221 WeakPolarHBondContact O-CB 3.34Å; L71-I221 PolarHBondContact O-N 3.39Å; V73-I221 HydrophobicContact CB-CD1 3.78Å; V73-I221 HydrophobicContact CB-CG1 4.4Å; V73-I221 HydrophobicContact CG2-CD1 3.21Å; V73-I221 HydrophobicContact CG2-CG1 4.14Å
222	G	84.1	Confident	91	Very high	69 Å²	69	54.2 Å²	54.2	71%	0.711	29%	0.292	S	S	*	.			trans	84.7	20.2	175.6	0	0	0	0	0	114.2	S224	G222-S224 PolarHBondContact O-N 3.24Å
223	I	88.4	Confident	90.7	Very high	21 Å²	21	56.9 Å²	56.9	11%	0.108	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-65.5	124.5	174.4	-53	175.2	0	0	0	109.1	D103 L220 L244 K246 Y314	D103-I223 HydrophobicContact CB-CD1 3.93Å; L220-I223 HydrophobicContact CB-CD1 4.19Å; L220-I223 HydrophobicContact CB-CG1 4.45Å; L220-I223 HydrophobicContact CD2-CD1 3.86Å; L220-I223 HydrophobicContact CD2-CG1 3.8Å; L220-I223 HydrophobicContact CG-CD1 4Å; L220-I223 HydrophobicContact CG-CG1 3.8Å; I223-L244 HydrophobicContact CD1-CD2 3.91Å; I223-L244 HydrophobicContact CG1-CD2 4.31Å; I223-L244 HydrophobicContact CG2-CD2 4.41Å; I223-L244 HydrophobicContact CG2-CG 4.31Å; I223-K246 HydrophobicContact CB-CD 4.39Å; I223-K246 HydrophobicContact CG2-CB 4.08Å; I223-K246 HydrophobicContact CG2-CD 4.17Å; I223-K246 HydrophobicContact CG2-CG 3.89Å; I223-Y314 HydrophobicContact CD1-CE1 4.12Å
224	S	89.4	Confident	90.4	Very high	60 Å²	60	59.3 Å²	59.3	42%	0.42	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	132.1	180	-69.9	0	0	0	0	111.3	G222 Y245 K246	G222-S224 PolarHBondContact O-N 3.24Å; S224-Y245 WeakPolarHBondContact O-CA 3.38Å; S224-K246 PolarHBondContact O-N 3.29Å
225	V	91.7	Very high	90	Very high	51 Å²	51	60.5 Å²	60.5	31%	0.309	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	126.8	-179.7	-178.1	0	0	0	0	110.1	K246 W312	V225-K246 CarbonylContact C-O 3.5Å; V225-K246 VanDerWaalsContact CA-O 3.3Å; V225-K246 WeakPolarHBondContact CA-O 3.31Å; V225-K246 HydrophobicContact CG2-CD 4.46Å; V225-K246 HydrophobicContact CG2-CG 3.95Å; V225-W312 HydrophobicContact CG1-CH2 4.37Å; V225-W312 HydrophobicContact CG1-CZ3 4.05Å
226	L	91.9	Very high	89.5	Confident	7 Å²	7	60.6 Å²	60.6	4%	0.037	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-94.5	139.2	173.2	-57.4	176.5	0	0	0	109.9	I232 Y245 K246 V247 I315 I330 V332	L226-I232 HydrophobicContact CD2-CD1 3.98Å; L226-Y245 HydrophobicContact CD1-CG 4.17Å; L226-Y245 HydrophobicContact CD2-CD1 3.96Å; L226-Y245 HydrophobicContact CD2-CG 4.44Å; L226-Y245 HydrophobicContact CG-CD1 4.27Å; L226-Y245 HydrophobicContact CG-CG 4.34Å; L226-K246 PolarHBondContact N-O 3.42Å; L226-V247 HydrophobicContact CB-CB 4.35Å; L226-V247 WeakPolarHBondContact O-CG2 3.44Å; L226-I315 HydrophobicContact CD1-CD1 4.01Å; L226-I330 HydrophobicContact CD1-CD1 3.67Å; L226-I330 HydrophobicContact CD1-CG1 3.99Å; L226-I330 HydrophobicContact CD2-CG2 4.14Å; L226-V332 HydrophobicContact CB-CG2 4.26Å; L226-V332 HydrophobicContact CD1-CG2 3.88Å
227	Y	90.1	Very high	88.9	Confident	150 Å²	150	60.2 Å²	60.2	59%	0.588	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-102.1	129.6	175.2	-66.2	-83	0	0	0	110.1	G229 Y230	Y227-G229 PolarHBondContact O-N 3.2Å; Y227-Y230 PolarHBondContact O-N 3.2Å
228	P	89.3	Confident	88.1	Confident	46 Å²	46	63 Å²	63	30%	0.299	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	136.2	176.5	-26.1	34.7	0	0	0	112.5	Y230 V247 V332 V334	P228-Y230 VanDerWaalsContact C-N 3.32Å; P228-Y230 PolarHBondContact O-N 3.39Å; P228-V247 HydrophobicContact CG-CG2 4Å; P228-V332 CarbonylContact C-O 3.58Å; P228-V332 WeakPolarHBondContact CA-O 3.39Å; P228-V334 HydrophobicContact CB-CG1 4.03Å; P228-V334 HydrophobicContact CB-CG2 3.8Å; P228-V334 HydrophobicContact CG-CG1 4.21Å; P228-V334 HydrophobicContact CG-CG2 4.5Å
229	G	84.9	Confident	87.4	Confident	54 Å²	54	68.4 Å²	68.4	56%	0.557	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.4	-14.6	179.9	0	0	0	0	0	115.2	Y227 V332	Y227-G229 PolarHBondContact O-N 3.2Å; G229-V332 PolarHBondContact N-O 2.98Å
230	Y	89.2	Confident	86.9	Confident	169 Å²	169	68.1 Å²	68.1	66%	0.663	37%	0.367	S	S	*	.			trans	-101.8	146.7	179.1	-65.7	-88.3	0	0	0	111.6	Y227 P228 G331	Y227-Y230 PolarHBondContact O-N 3.2Å; P228-Y230 VanDerWaalsContact C-N 3.32Å; P228-Y230 PolarHBondContact O-N 3.39Å; Y230-G331 WeakPolarHBondContact O-CA 3.28Å
231	F	90.2	Very high	86.6	Confident	87 Å²	87	76 Å²	76	38%	0.382	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	137	173.9	-71.8	-96.1	0	0	0	110.3	Q259 V261 R329 I330	F231-Q259 HydrophobicContact CE1-CG 3.71Å; F231-Q259 VanDerWaalsContact CE1-NE2 3.31Å; F231-Q259 HydrophobicContact CZ-CG 4.17Å; F231-V261 HydrophobicContact CD1-CG2 4.41Å; F231-V261 HydrophobicContact CE1-CG2 3.74Å; F231-R329 HydrophobicContact CB-CG 3.69Å; F231-R329 HydrophobicContact CD1-CG 4.01Å; F231-R329 HydrophobicContact CG-CG 4.3Å; F231-I330 WeakPolarHBondContact CA-O 3.27Å
232	I	89.6	Confident	86.7	Confident	61 Å²	61	74.6 Å²	74.6	31%	0.313	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	132	-177.4	-54.1	175.1	0	0	0	108.8	L226 Q234 R329 I330	L226-I232 HydrophobicContact CD2-CD1 3.98Å; I232-Q234 HydrophobicContact CG2-CG 4.36Å; I232-R329 WeakPolarHBondContact O-CA 3.28Å; I232-I330 PolarHBondContact N-O 3.06Å; I232-I330 PolarHBondContact O-N 2.93Å
233	D	88.9	Confident	86.9	Confident	101 Å²	101	72.2 Å²	72.2	54%	0.54	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	128.7	173.2	-69	-41.4	0	0	0	109.9	R329	D233-R329 WeakPolarHBondContact OD1-CB 3.39Å; D233-R329 IonicContact OD1-CZ 2.64Å; D233-R329 IonicContact OD1-NE 3.55Å; D233-R329 PolarHBondContact OD1-NE 2.95Å; D233-R329 IonicContact OD1-NH2 2.79Å; D233-R329 PolarHBondContact OD1-NH2 3.05Å; D233-R329 VanDerWaalsContact OD1-NH2 3.14Å; D233-R329 IonicContact OD2-CZ 2.97Å; D233-R329 IonicContact OD2-NE 3.16Å; D233-R329 IonicContact OD2-NH2 2.95Å; D233-R329 PolarHBondContact OD2-NH2 3.45Å
234	Q	88.7	Confident	87	Confident	51 Å²	51	72.7 Å²	72.7	24%	0.238	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	154.6	-174.7	-69.3	-65.7	-15.2	0	0	110.7	I232 Y245 F328 I330	I232-Q234 HydrophobicContact CG2-CG 4.36Å; Q234-Y245 WeakPolarHBondContact CB-OH 3.42Å; Q234-Y245 HydrophobicContact CG-CE1 4.05Å; Q234-Y245 WeakPolarHBondContact CG-OH 3.48Å; Q234-Y245 PolarHBondContact OE1-OH 3.33Å; Q234-F328 HydrophobicContact CB-CD2 4.13Å; Q234-F328 HydrophobicContact CB-CE1 4.45Å; Q234-F328 HydrophobicContact CB-CE2 3.56Å; Q234-F328 HydrophobicContact CB-CZ 3.75Å; Q234-F328 HydrophobicContact CG-CE2 4.33Å; Q234-F328 PolarHBondContact N-O 3.41Å; Q234-F328 PolarHBondContact O-N 3.49Å; Q234-F328 VanDerWaalsContact O-O 3.1Å; Q234-I330 HydrophobicContact CG-CG2 3.97Å
235	M	86.9	Confident	87.2	Confident	80 Å²	80	70.2 Å²	70.2	39%	0.394	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	130.7	178.8	-177.5	-160.9	71.4	0	0	110.2	P237 D325 V326 Y327	M235-P237 HydrophobicContact CE-CB 4.11Å; M235-P237 WeakPolarHBondContact O-CD 3.37Å; M235-D325 HydrophobicContact CG-CB 4.47Å; M235-D325 HydrophobicContact SD-CB 4.46Å; M235-V326 WeakPolarHBondContact CA-O 3.48Å; M235-Y327 HydrophobicContact CB-CD1 3.96Å; M235-Y327 HydrophobicContact CB-CE1 3.98Å; M235-Y327 HydrophobicContact CG-CD1 3.82Å; M235-Y327 HydrophobicContact CG-CE1 3.52Å; M235-Y327 HydrophobicContact CG-CE2 4.32Å; M235-Y327 HydrophobicContact CG-CG 4.36Å; M235-Y327 HydrophobicContact SD-CD1 4.34Å; M235-Y327 HydrophobicContact SD-CE1 3.45Å; M235-Y327 WeakPolarHBondContact SD-CE1 3.39Å; M235-Y327 HydrophobicContact SD-CE2 4.44Å; M235-Y327 PolarHBondContact SD-OH 3.28Å
236	I	85.6	Confident	87.2	Confident	2 Å²	2	68.9 Å²	68.9	1%	0.01	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	110.3	168.9	-63.8	169.2	0	0	0	108.1	N240 A243 I317 R319 V326 F328	I236-N240 HydrophobicContact CG2-CB 4.31Å; I236-N240 VanDerWaalsContact CG2-O 3.25Å; I236-N240 WeakPolarHBondContact CG2-O 3.1Å; I236-A243 HydrophobicContact CD1-CB 4.06Å; I236-A243 HydrophobicContact CG1-CB 3.93Å; I236-I317 HydrophobicContact CD1-CB 4.18Å; I236-I317 HydrophobicContact CD1-CG2 3.73Å; I236-R319 HydrophobicContact CG2-CB 4.32Å; I236-V326 PolarHBondContact N-O 3.03Å; I236-V326 PolarHBondContact O-N 3.32Å; I236-F328 HydrophobicContact CD1-CE1 3.74Å; I236-F328 HydrophobicContact CD1-CZ 4.14Å; I236-F328 HydrophobicContact CG1-CE1 3.85Å; I236-F328 HydrophobicContact CG1-CZ 4.28Å
237	P	83.1	Confident	87.3	Confident	39 Å²	39	68.5 Å²	68.5	25%	0.253	34%	0.339	S	S	.	.			trans	-68.6	157.7	178.7	27.3	-32.8	0	0	0	111.1	M235 H239 N240	M235-P237 HydrophobicContact CE-CB 4.11Å; M235-P237 WeakPolarHBondContact O-CD 3.37Å; P237-H239 PolarHBondContact O-N 3.28Å; P237-N240 HydrophobicContact CG-CB 3.94Å; P237-N240 PolarHBondContact O-N 2.95Å; P237-N240 VanDerWaalsContact O-O 3.07Å
238	I	79.3	Confident	87.4	Confident	60 Å²	60	65.5 Å²	65.5	31%	0.308	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-34.2	-177.9	-151	166.8	0	0	0	114.2	R319 N323 D325	I238-R319 PolarHBondContact O-NH2 3.44Å; I238-N323 HydrophobicContact CD1-CB 4.26Å; I238-N323 WeakPolarHBondContact CD1-O 3.4Å; I238-D325 PolarHBondContact N-OD1 2.9Å; I238-D325 VanDerWaalsContact N-OD1 3.14Å
239	H	78.1	Confident	87.5	Confident	170 Å²	170	63.3 Å²	63.3	79%	0.787	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-24.5	-178.3	-60.5	-59.5	0	0	0	113.5	P237	P237-H239 PolarHBondContact O-N 3.28Å
240	N	81.3	Confident	87.6	Confident	49 Å²	49	63.1 Å²	63.1	26%	0.262	30%	0.304	S	S	.	.			trans	-93.7	131.3	178.8	-68.5	8.7	0	0	0	109.3	G68 I236 P237	G68-N240 PolarHBondContact O-ND2 2.92Å; I236-N240 HydrophobicContact CG2-CB 4.31Å; I236-N240 VanDerWaalsContact CG2-O 3.25Å; I236-N240 WeakPolarHBondContact CG2-O 3.1Å; P237-N240 HydrophobicContact CG-CB 3.94Å; P237-N240 PolarHBondContact O-N 2.95Å; P237-N240 VanDerWaalsContact O-O 3.07Å
241	R	82.5	Confident	87.2	Confident	185 Å²	185	58 Å²	58	70%	0.698	29%	0.288	S	S	*	.	S	Bend	trans	-85.2	-25.6	178.9	-71.5	-171.8	175.4	-178	-0.7	112.9	R319	R241-R319 PolarHBondContact O-N 3.46Å
242	S	87.7	Confident	86.7	Confident	54 Å²	54	59.1 Å²	59.1	38%	0.378	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	160.3	-175.8	59.2	0	0	0	0	112.2	I317	S242-I317 CarbonylContact C-O 3.5Å; S242-I317 WeakPolarHBondContact CA-O 3.25Å; S242-I317 VanDerWaalsContact CB-O 3.32Å; S242-I317 WeakPolarHBondContact CB-O 3.47Å
243	A	88.6	Confident	86.5	Confident	20 Å²	20	56.6 Å²	56.6	17%	0.165	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	133.6	170.8	0	0	0	0	0	109.4	I236 Y245 I317	I236-A243 HydrophobicContact CD1-CB 4.06Å; I236-A243 HydrophobicContact CG1-CB 3.93Å; A243-Y245 HydrophobicContact CB-CE2 3.67Å; A243-I317 PolarHBondContact N-O 3.44Å; A243-I317 PolarHBondContact O-N 3.37Å
244	L	90.3	Very high	86.1	Confident	30 Å²	30	53.2 Å²	53.2	16%	0.157	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	132.6	179.9	-173.2	74.1	0	0	0	110.2	L220 I223 Y314 L316	L220-L244 HydrophobicContact CD2-CD2 3.52Å; I223-L244 HydrophobicContact CD1-CD2 3.91Å; I223-L244 HydrophobicContact CG1-CD2 4.31Å; I223-L244 HydrophobicContact CG2-CD2 4.41Å; I223-L244 HydrophobicContact CG2-CG 4.31Å; L244-Y314 HydrophobicContact CD2-CD1 4.35Å; L244-L316 HydrophobicContact CB-CD1 4.19Å; L244-L316 HydrophobicContact CD1-CB 3.89Å; L244-L316 HydrophobicContact CD1-CD1 3.97Å
245	Y	92.4	Very high	85.9	Confident	8 Å²	8	54.3 Å²	54.3	3%	0.031	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	158.9	177.6	-56.6	-86.9	0	0	0	110.1	S224 L226 Q234 A243 Y314 I315 I317 I330	S224-Y245 WeakPolarHBondContact O-CA 3.38Å; L226-Y245 HydrophobicContact CD1-CG 4.17Å; L226-Y245 HydrophobicContact CD2-CD1 3.96Å; L226-Y245 HydrophobicContact CD2-CG 4.44Å; L226-Y245 HydrophobicContact CG-CD1 4.27Å; L226-Y245 HydrophobicContact CG-CG 4.34Å; Q234-Y245 WeakPolarHBondContact CB-OH 3.42Å; Q234-Y245 HydrophobicContact CG-CE1 4.05Å; Q234-Y245 WeakPolarHBondContact CG-OH 3.48Å; Q234-Y245 PolarHBondContact OE1-OH 3.33Å; A243-Y245 HydrophobicContact CB-CE2 3.67Å; Y245-Y314 WeakPolarHBondContact O-CA 3.49Å; Y245-I315 PolarHBondContact N-O 3.49Å; Y245-I315 PolarHBondContact O-N 3.34Å; Y245-I317 HydrophobicContact CD2-CD1 4.35Å; Y245-I317 HydrophobicContact CE2-CD1 3.91Å; Y245-I317 HydrophobicContact CE2-CG1 4.46Å; Y245-I330 HydrophobicContact CD2-CD1 4.49Å
246	K	93.3	Very high	86	Confident	23 Å²	23	50.5 Å²	50.5	10%	0.1	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	147.5	171.2	67	-180	175.9	179.8	0	112.9	D103 I223 S224 V225 L226 W312 Y313 Y314	D103-K246 VanDerWaalsContact CG-NZ 3.3Å; D103-K246 IonicContact OD1-NZ 3.88Å; D103-K246 PolarHBondContact OD1-NZ 2.63Å; D103-K246 IonicContact OD2-NZ 3.6Å; D103-K246 PolarHBondContact OD2-NZ 3.3Å; I223-K246 HydrophobicContact CB-CD 4.39Å; I223-K246 HydrophobicContact CG2-CB 4.08Å; I223-K246 HydrophobicContact CG2-CD 4.17Å; I223-K246 HydrophobicContact CG2-CG 3.89Å; S224-K246 PolarHBondContact O-N 3.29Å; V225-K246 CarbonylContact C-O 3.5Å; V225-K246 VanDerWaalsContact CA-O 3.3Å; V225-K246 WeakPolarHBondContact CA-O 3.31Å; V225-K246 HydrophobicContact CG2-CD 4.46Å; V225-K246 HydrophobicContact CG2-CG 3.95Å; L226-K246 PolarHBondContact N-O 3.42Å; K246-W312 HydrophobicContact CB-CE3 4.14Å; K246-W312 HydrophobicContact CD-CD2 4.41Å; K246-W312 HydrophobicContact CD-CE3 3.94Å; K246-W312 HydrophobicContact CD-CZ3 4.17Å; K246-W312 HydrophobicContact CG-CE3 3.97Å; K246-W312 HydrophobicContact CG-CZ3 4.03Å; K246-Y313 CarbonylContact C-O 3.51Å; K246-Y313 WeakPolarHBondContact CA-O 3.49Å; K246-Y314 HydrophobicContact CB-CD1 4.3Å; K246-Y314 HydrophobicContact CB-CE1 4.44Å
247	V	94	Very high	86.3	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	137.2	176	60.6	0	0	0	0	109.2	L226 P228 I249 Y313 I315 V332	L226-V247 HydrophobicContact CB-CB 4.35Å; L226-V247 WeakPolarHBondContact O-CG2 3.44Å; P228-V247 HydrophobicContact CG-CG2 4Å; V247-I249 HydrophobicContact CG1-CD1 4.25Å; V247-I249 HydrophobicContact CG2-CD1 4.24Å; V247-Y313 PolarHBondContact N-O 3.33Å; V247-Y313 PolarHBondContact O-N 3.23Å; V247-I315 HydrophobicContact CG1-CD1 3.9Å; V247-V332 HydrophobicContact CG1-CG1 4.42Å; V247-V332 HydrophobicContact CG1-CG2 4.44Å; V247-V332 HydrophobicContact CG2-CB 4.5Å; V247-V332 HydrophobicContact CG2-CG1 4.26Å
248	F	92.1	Very high	86.8	Confident	87 Å²	87	50.2 Å²	50.2	38%	0.382	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	130.9	175.6	-175.5	-102.2	0	0	0	110	E310 W312	F248-E310 HydrophobicContact CZ-CB 4.43Å; F248-W312 HydrophobicContact CB-CD2 4.12Å; F248-W312 HydrophobicContact CB-CE3 3.78Å; F248-W312 HydrophobicContact CB-CH2 3.84Å; F248-W312 HydrophobicContact CB-CZ2 4.17Å; F248-W312 HydrophobicContact CB-CZ3 3.64Å; F248-W312 AromaticContact CD2-CD2 3.98Å; F248-W312 HydrophobicContact CD2-CD2 3.98Å; F248-W312 AromaticContact CD2-CE2 3.84Å; F248-W312 HydrophobicContact CD2-CE3 4.5Å; F248-W312 HydrophobicContact CD2-CG 4.26Å; F248-W312 HydrophobicContact CD2-CZ2 4.24Å
249	I	90.1	Very high	87.4	Confident	0 Å²	0	48 Å²	48	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	117.2	178.3	-55.7	-57.6	0	0	0	109.5	V247 I253 V256 P307 E310 Q311 Y313 V334	V247-I249 HydrophobicContact CG1-CD1 4.25Å; V247-I249 HydrophobicContact CG2-CD1 4.24Å; I249-I253 HydrophobicContact CG2-CB 4.16Å; I249-I253 HydrophobicContact CG2-CG1 4.09Å; I249-I253 HydrophobicContact CG2-CG2 4.35Å; I249-V256 HydrophobicContact CD1-CG1 4.1Å; I249-V256 HydrophobicContact CD1-CG2 3.77Å; I249-V256 HydrophobicContact CG1-CG2 4.22Å; I249-V256 HydrophobicContact CG2-CG2 4.18Å; I249-P307 HydrophobicContact CG2-CB 4.28Å; I249-P307 HydrophobicContact CG2-CG 4.36Å; I249-E310 WeakPolarHBondContact O-CA 3.45Å; I249-E310 PolarHBondContact O-N 3.26Å; I249-Q311 PolarHBondContact N-O 3.38Å; I249-Q311 VanDerWaalsContact N-O 3.12Å; I249-Y313 HydrophobicContact CB-CD2 4.17Å; I249-Y313 HydrophobicContact CB-CE2 4.24Å; I249-Y313 HydrophobicContact CG1-CD2 3.4Å; I249-Y313 HydrophobicContact CG1-CE2 3.78Å; I249-Y313 HydrophobicContact CG1-CG 4.03Å; I249-V334 HydrophobicContact CD1-CG1 4.04Å
250	P	87.1	Confident	88	Confident	50 Å²	50	40.3 Å²	40.3	33%	0.325	20%	0.195	S	C	.	.			trans	-73.5	177.5	178.3	31.9	-35.1	0	0	0	111.9	I253	P250-I253 HydrophobicContact CG-CD1 4.03Å; P250-I253 HydrophobicContact CG-CG1 3.88Å; P250-I253 WeakPolarHBondContact O-CG1 3.47Å
251	N	82.4	Confident	88.4	Confident	60 Å²	60	40.5 Å²	40.5	32%	0.321	20%	0.197	S	C	.	.	S	Bend	trans	-71	163.2	172.7	55.2	17.1	0	0	0	112.1	I253 W309 E310	N251-I253 PolarHBondContact O-N 3.28Å; N251-W309 HydrophobicContact CB-CB 4.37Å; N251-W309 HydrophobicContact CB-CD2 4.43Å; N251-W309 HydrophobicContact CB-CE3 4.27Å; N251-W309 HydrophobicContact CB-CG 4.5Å; N251-E310 HydrophobicContact CB-CG 4.28Å; N251-E310 PolarHBondContact ND2-OE1 3.37Å; N251-E310 VanDerWaalsContact ND2-OE1 3.12Å
252	Y	79.9	Confident	88.5	Confident	112 Å²	112	37.3 Å²	37.3	44%	0.439	19%	0.194	S	C	.	.	S	Bend	trans	61.3	34.7	179.9	-50	-80.5	0	0	0	115.1	C337 I408	Y252-C337 VanDerWaalsContact C-SG 3.53Å; Y252-C337 WeakPolarHBondContact O-CB 3.32Å; Y252-C337 PolarHBondContact O-N 2.98Å; Y252-C337 PolarHBondContact O-SG 3.38Å; Y252-I408 HydrophobicContact CD1-CD1 4.04Å; Y252-I408 HydrophobicContact CE1-CD1 3.57Å; Y252-I408 HydrophobicContact CE1-CG1 4.16Å
253	I	83.8	Confident	88.4	Confident	7 Å²	7	36.3 Å²	36.3	4%	0.036	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	132	172.8	-57.4	-57.2	0	0	0	110.1	I249 P250 N251 K255 V256 P307 W309 V334 T335 D336	I249-I253 HydrophobicContact CG2-CB 4.16Å; I249-I253 HydrophobicContact CG2-CG1 4.09Å; I249-I253 HydrophobicContact CG2-CG2 4.35Å; P250-I253 HydrophobicContact CG-CD1 4.03Å; P250-I253 HydrophobicContact CG-CG1 3.88Å; P250-I253 WeakPolarHBondContact O-CG1 3.47Å; N251-I253 PolarHBondContact O-N 3.28Å; I253-K255 WeakPolarHBondContact CG2-O 3.41Å; I253-V256 HydrophobicContact CG2-CG2 4.03Å; I253-P307 HydrophobicContact CB-CG 4.02Å; I253-P307 HydrophobicContact CG2-CG 3.78Å; I253-P307 WeakPolarHBondContact O-CD 3.18Å; I253-P307 WeakPolarHBondContact O-CG 3.45Å; I253-W309 PolarHBondContact O-NE1 3.39Å; I253-V334 HydrophobicContact CD1-CB 4.36Å; I253-V334 HydrophobicContact CD1-CG2 4.42Å; I253-V334 HydrophobicContact CG2-CB 4.17Å; I253-T335 WeakPolarHBondContact CG2-O 3.32Å; I253-D336 HydrophobicContact CD1-CB 4.34Å
254	S	80.5	Confident	88.1	Confident	30 Å²	30	38 Å²	38	21%	0.21	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	-34.9	179.6	62.5	0	0	0	0	113.4	V306 P307 T335 C405	S254-V306 PolarHBondContact O-N 3.1Å; S254-V306 VanDerWaalsContact O-N 3.08Å; S254-P307 WeakPolarHBondContact O-CD 3.28Å; S254-T335 PolarHBondContact N-O 2.84Å; S254-T335 PolarHBondContact OG-O 3.08Å; S254-C405 VanDerWaalsContact CB-SG 3.56Å
255	K	85.8	Confident	87.7	Confident	74 Å²	74	37.9 Å²	37.9	32%	0.322	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	136.3	-172.1	-177.8	-178.9	-178.8	179.8	0	110.4	I253 V303 L305 T335	I253-K255 WeakPolarHBondContact CG2-O 3.41Å; K255-V303 HydrophobicContact CD-CG1 4.21Å; K255-V303 HydrophobicContact CG-CG1 3.97Å; K255-L305 HydrophobicContact CD-CD2 4.32Å; K255-L305 HydrophobicContact CG-CD2 4.17Å; K255-T335 PolarHBondContact O-N 2.99Å
256	V	89.2	Confident	86.5	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	130.9	168.7	-179.2	0	0	0	0	108	I249 I253 V303 T304 P307 V332 V334	I249-V256 HydrophobicContact CD1-CG1 4.1Å; I249-V256 HydrophobicContact CD1-CG2 3.77Å; I249-V256 HydrophobicContact CG1-CG2 4.22Å; I249-V256 HydrophobicContact CG2-CG2 4.18Å; I253-V256 HydrophobicContact CG2-CG2 4.03Å; V256-V303 WeakPolarHBondContact O-CA 3.42Å; V256-T304 PolarHBondContact N-O 2.78Å; V256-T304 PolarHBondContact O-N 3.23Å; V256-P307 HydrophobicContact CG2-CB 3.67Å; V256-P307 HydrophobicContact CG2-CG 3.85Å; V256-V332 HydrophobicContact CG1-CG1 3.88Å; V256-V334 HydrophobicContact CG2-CG1 4.25Å
257	K	91.9	Very high	84.9	Confident	35 Å²	35	49.6 Å²	49.6	15%	0.152	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	120.5	177.6	-176	176.7	82.4	146.4	0	109.5	Q259 E301 V303 V332 Q333	K257-Q259 VanDerWaalsContact CE-OE1 3.26Å; K257-E301 WeakPolarHBondContact CD-OE2 3.37Å; K257-E301 IonicContact NZ-OE1 2.69Å; K257-E301 PolarHBondContact NZ-OE1 2.74Å; K257-E301 IonicContact NZ-OE2 3.06Å; K257-E301 PolarHBondContact NZ-OE2 2.99Å; K257-V303 HydrophobicContact CB-CG2 4.31Å; K257-V303 HydrophobicContact CD-CG2 4.28Å; K257-V303 HydrophobicContact CG-CG2 3.91Å; K257-V332 CarbonylContact O-C 3.58Å; K257-V332 WeakPolarHBondContact O-CA 3.28Å; K257-Q333 HydrophobicContact CB-CB 4.39Å; K257-Q333 PolarHBondContact N-O 3Å; K257-Q333 PolarHBondContact O-N 2.9Å
258	V	92.9	Very high	83.2	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	127	172	-176.4	0	0	0	0	107.8	L277 M279 E301 L302 I315 I330 V332	V258-L277 HydrophobicContact CB-CD2 4.35Å; V258-L277 HydrophobicContact CG1-CD1 4.2Å; V258-L277 HydrophobicContact CG1-CD2 4.02Å; V258-M279 HydrophobicContact CG2-CE 4.37Å; V258-M279 HydrophobicContact CG2-SD 3.51Å; V258-M279 VanDerWaalsContact CG2-SD 3.51Å; V258-E301 CarbonylContact O-C 3.45Å; V258-E301 WeakPolarHBondContact O-CA 3.41Å; V258-L302 PolarHBondContact N-O 3.23Å; V258-L302 PolarHBondContact O-N 2.91Å; V258-I315 HydrophobicContact CG1-CD1 4.12Å; V258-I315 HydrophobicContact CG1-CG2 4.23Å; V258-I315 HydrophobicContact CG2-CD1 3.74Å; V258-I315 HydrophobicContact CG2-CG1 4.3Å; V258-I330 HydrophobicContact CG1-CD1 4.18Å; V258-I330 HydrophobicContact CG1-CG1 4.45Å; V258-V332 HydrophobicContact CG2-CG1 4.35Å; V258-V332 HydrophobicContact CG2-CG2 4.21Å
259	Q	91.9	Very high	81.4	Confident	13 Å²	13	59 Å²	59	6%	0.061	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	139.3	-176.5	68.9	-161	-17.5	0	0	111.4	F231 K257 V261 C300 E301 G331	F231-Q259 HydrophobicContact CE1-CG 3.71Å; F231-Q259 VanDerWaalsContact CE1-NE2 3.31Å; F231-Q259 HydrophobicContact CZ-CG 4.17Å; K257-Q259 VanDerWaalsContact CE-OE1 3.26Å; Q259-V261 HydrophobicContact CG-CG2 4.33Å; Q259-C300 WeakPolarHBondContact CA-O 3.42Å; Q259-E301 HydrophobicContact CB-CG 3.98Å; Q259-E301 PolarHBondContact OE1-OE1 2.91Å; Q259-G331 PolarHBondContact N-O 3.21Å; Q259-G331 PolarHBondContact O-N 3.04Å
260	L	91.3	Very high	79.9	Confident	9 Å²	9	61.7 Å²	61.7	5%	0.047	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	125.4	174.6	-72.1	164.2	0	0	0	109.3	V275 L277 C300 I317 F328 R329 I330	L260-V275 HydrophobicContact CD1-CG2 3.98Å; L260-L277 HydrophobicContact CD1-CB 4.18Å; L260-L277 HydrophobicContact CD1-CD1 4.27Å; L260-L277 HydrophobicContact CD1-CD2 4.16Å; L260-L277 HydrophobicContact CD1-CG 4.45Å; L260-C300 HydrophobicContact CB-CB 4.26Å; L260-C300 PolarHBondContact N-O 3.47Å; L260-I317 HydrophobicContact CD1-CD1 4.48Å; L260-I317 HydrophobicContact CD2-CD1 3.83Å; L260-F328 HydrophobicContact CD2-CB 4.32Å; L260-F328 HydrophobicContact CD2-CD2 3.32Å; L260-F328 HydrophobicContact CD2-CE2 3.83Å; L260-F328 HydrophobicContact CD2-CG 3.98Å; L260-R329 WeakPolarHBondContact CA-O 3.39Å; L260-I330 HydrophobicContact CD2-CB 3.88Å; L260-I330 HydrophobicContact CD2-CD1 4.45Å; L260-I330 HydrophobicContact CD2-CG1 4.29Å
261	V	88.3	Confident	78.6	Confident	53 Å²	53	66.3 Å²	66.3	32%	0.321	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	153.2	-174.5	-166.9	0	0	0	0	109.6	F231 Q259 C263 R329	F231-V261 HydrophobicContact CD1-CG2 4.41Å; F231-V261 HydrophobicContact CE1-CG2 3.74Å; Q259-V261 HydrophobicContact CG-CG2 4.33Å; V261-C263 VanDerWaalsContact C-N 3.27Å; V261-C263 PolarHBondContact O-N 3.37Å; V261-R329 HydrophobicContact CB-CB 4.44Å; V261-R329 PolarHBondContact N-O 3.39Å; V261-R329 WeakPolarHBondContact O-CB 3.43Å; V261-R329 PolarHBondContact O-N 2.96Å
262	N	85.1	Confident	78.2	Confident	118 Å²	118	66.8 Å²	66.8	63%	0.631	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	51.5	42.6	176	-65.2	-7.6	0	0	0	113.6	S264	N262-S264 PolarHBondContact O-N 2.99Å
263	C	85.6	Confident	78.3	Confident	33 Å²	33	62 Å²	62	22%	0.223	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	124.6	177.3	-175	0	0	0	0	110.5	V261 C273 Y327 F328	V261-C263 VanDerWaalsContact C-N 3.27Å; V261-C263 PolarHBondContact O-N 3.37Å; C263-C273 HydrophobicContact CB-CB 3.51Å; C263-C273 WeakPolarHBondContact CB-SG 3.26Å; C263-C273 VanDerWaalsContact SG-CA 3.55Å; C263-C273 WeakPolarHBondContact SG-CB 3.4Å; C263-C273 CovalentContact SG-SG 2.02Å; C263-C273 PolarHBondContact SG-SG 3.02Å; C263-Y327 CarbonylContact C-O 3.15Å; C263-Y327 VanDerWaalsContact CA-O 3.27Å; C263-Y327 WeakPolarHBondContact CA-O 3.18Å; C263-F328 HydrophobicContact CB-CB 4.3Å
264	S	82.4	Confident	78.5	Confident	56 Å²	56	62.9 Å²	62.9	39%	0.392	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	153.9	-178.6	63	0	0	0	0	112.3	N262 Y327	N262-S264 PolarHBondContact O-N 2.99Å; S264-Y327 PolarHBondContact N-O 3.32Å; S264-Y327 PolarHBondContact O-N 3.11Å
265	T	81.7	Confident	78.9	Confident	28 Å²	28	61.4 Å²	61.4	17%	0.172	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	140.4	170.3	67.7	0	0	0	0	108.8	N267 K268 P274 V326	T265-N267 PolarHBondContact O-N 2.66Å; T265-K268 PolarHBondContact O-N 3.46Å; T265-K268 PolarHBondContact OG1-O 2.87Å; T265-P274 HydrophobicContact CG2-CG 3.87Å; T265-V326 HydrophobicContact CG2-CG2 4.24Å
266	K	66.8	Low	79.1	Confident	133 Å²	133	58.9 Å²	58.9	58%	0.578	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	-23	-172.9	-104.5	170.6	179.5	163.2	0	115.7	D325 Y327	K266-D325 IonicContact NZ-OD2 3.86Å; K266-D325 PolarHBondContact NZ-OD2 2.87Å; K266-Y327 HydrophobicContact CD-CE2 4.16Å; K266-Y327 WeakPolarHBondContact CE-OH 3.39Å; K266-Y327 HydrophobicContact CG-CE2 3.89Å; K266-Y327 PolarHBondContact NZ-OH 3.03Å; K266-Y327 VanDerWaalsContact NZ-OH 3.07Å
267	N	61.2	Low	79.2	Confident	143 Å²	143	58.9 Å²	58.9	77%	0.765	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.5	11.2	-168.6	-82.1	-7.2	0	0	0	116.8	T265	T265-N267 PolarHBondContact O-N 2.66Å
268	K	56.6	Low	79.2	Confident	169 Å²	169	59.2 Å²	59.2	74%	0.735	33%	0.328	S	S	*	.	B	Isolated β-bridge	trans	-175.7	138.8	165.3	-103.7	156.9	-170.3	-170.8	0	108.9	T265 S270	T265-K268 PolarHBondContact O-N 3.46Å; T265-K268 PolarHBondContact OG1-O 2.87Å; K268-S270 PolarHBondContact O-N 2.88Å
269	S	56.2	Low	79.1	Confident	116 Å²	116	59.3 Å²	59.3	81%	0.811	33%	0.329	S	S	*	.			trans	-68.5	68.8	158.8	56.1	0	0	0	0	108.7	D271	S269-D271 PolarHBondContact O-N 3.39Å
270	S	57.3	Low	79.1	Confident	57 Å²	57	60.9 Å²	60.9	40%	0.399	33%	0.334	S	S	.	.			trans	-67.3	122.8	163.3	174.4	0	0	0	0	106.6	K268 T272	K268-S270 PolarHBondContact O-N 2.88Å; S270-T272 PolarHBondContact O-N 2.89Å; S270-T272 PolarHBondContact OG-N 3.02Å; S270-T272 PolarHBondContact OG-O 3.26Å; S270-T272 PolarHBondContact OG-OG1 3.03Å
271	D	60.3	Low	78.9	Confident	147 Å²	147	61.7 Å²	61.7	79%	0.786	34%	0.342	S	S	*	.	S	Bend	trans	-62.5	-9.6	177.1	-71.4	-31	0	0	0	112.9	S269	S269-D271 PolarHBondContact O-N 3.39Å
272	T	74.4	Confident	78.9	Confident	69 Å²	69	62.1 Å²	62.1	42%	0.423	34%	0.338	S	S	.	.	S	Bend	trans	-107.5	132.2	-178.5	60.8	0	0	0	0	112.1	S270 P274 R295	S270-T272 PolarHBondContact O-N 2.89Å; S270-T272 PolarHBondContact OG-N 3.02Å; S270-T272 PolarHBondContact OG-O 3.26Å; S270-T272 PolarHBondContact OG-OG1 3.03Å; T272-P274 WeakPolarHBondContact O-CD 3.37Å; T272-R295 WeakPolarHBondContact CG2-O 3.42Å
273	C	81.3	Confident	79	Confident	12 Å²	12	56.5 Å²	56.5	8%	0.081	31%	0.308	C	S	.	.			trans	-89.4	115.5	-178.6	-175.5	0	0	0	0	110.8	C263 V275 C294 R295	C263-C273 HydrophobicContact CB-CB 3.51Å; C263-C273 WeakPolarHBondContact CB-SG 3.26Å; C263-C273 VanDerWaalsContact SG-CA 3.55Å; C263-C273 WeakPolarHBondContact SG-CB 3.4Å; C263-C273 CovalentContact SG-SG 2.02Å; C263-C273 PolarHBondContact SG-SG 3.02Å; C273-V275 PolarHBondContact O-N 3.32Å; C273-V275 WeakPolarHBondContact SG-CG2 3.28Å; C273-C294 HydrophobicContact CB-CB 3.85Å; C273-C294 CarbonylContact O-C 3.28Å; C273-C294 VanDerWaalsContact O-C 3.29Å; C273-R295 VanDerWaalsContact O-CG 3.31Å; C273-R295 WeakPolarHBondContact O-CG 3.32Å; C273-R295 PolarHBondContact O-N 2.94Å
274	P	87.1	Confident	79.1	Confident	25 Å²	25	55.5 Å²	55.5	16%	0.162	30%	0.301	C	S	.	.			trans	-83.1	52.7	-172	35.7	-37.6	0	0	0	112.7	T265 T272 Y320 V326	T265-P274 HydrophobicContact CG2-CG 3.87Å; T272-P274 WeakPolarHBondContact O-CD 3.37Å; P274-Y320 PolarHBondContact O-N 3.24Å; P274-Y320 VanDerWaalsContact O-N 3.13Å; P274-V326 HydrophobicContact CG-CG2 4.07Å
275	V	89.6	Confident	79.1	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	150.7	179.2	-52.4	0	0	0	0	112.1	L260 C273 C294 I317 E318 V326	L260-V275 HydrophobicContact CD1-CG2 3.98Å; C273-V275 PolarHBondContact O-N 3.32Å; C273-V275 WeakPolarHBondContact SG-CG2 3.28Å; V275-C294 HydrophobicContact CG2-CB 3.88Å; V275-C294 WeakPolarHBondContact O-CB 3.1Å; V275-C294 PolarHBondContact O-N 3.49Å; V275-I317 HydrophobicContact CB-CG2 3.83Å; V275-I317 HydrophobicContact CG1-CG2 4.11Å; V275-I317 HydrophobicContact CG2-CG2 4.13Å; V275-E318 CarbonylContact C-O 3.55Å; V275-E318 VanDerWaalsContact CA-O 3.24Å; V275-E318 WeakPolarHBondContact CA-O 3.27Å; V275-V326 HydrophobicContact CG1-CG1 3.93Å
276	V	90.8	Very high	79	Confident	21 Å²	21	54.9 Å²	54.9	13%	0.127	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	124.2	169.5	-174.6	0	0	0	0	108.3	K278 L292 I317 E318 Y320	V276-K278 HydrophobicContact CG1-CG 4.16Å; V276-L292 WeakPolarHBondContact CA-O 3.41Å; V276-I317 WeakPolarHBondContact O-CA 3.36Å; V276-E318 HydrophobicContact CB-CB 4.49Å; V276-E318 PolarHBondContact N-O 3.09Å; V276-E318 PolarHBondContact O-N 3.14Å; V276-Y320 HydrophobicContact CG2-CD2 4.24Å; V276-Y320 HydrophobicContact CG2-CE2 3.31Å; V276-Y320 VanDerWaalsContact CG2-OH 3.28Å; V276-Y320 WeakPolarHBondContact CG2-OH 3.38Å
277	L	91.4	Very high	79.3	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	119.8	176.2	178.3	61.9	0	0	0	109.3	V258 L260 A291 L292 L302 I315 I317	V258-L277 HydrophobicContact CB-CD2 4.35Å; V258-L277 HydrophobicContact CG1-CD1 4.2Å; V258-L277 HydrophobicContact CG1-CD2 4.02Å; L260-L277 HydrophobicContact CD1-CB 4.18Å; L260-L277 HydrophobicContact CD1-CD1 4.27Å; L260-L277 HydrophobicContact CD1-CD2 4.16Å; L260-L277 HydrophobicContact CD1-CG 4.45Å; L277-A291 CarbonylContact O-C 3.41Å; L277-A291 VanDerWaalsContact O-CA 3.31Å; L277-A291 WeakPolarHBondContact O-CA 2.94Å; L277-L292 PolarHBondContact N-O 2.85Å; L277-L292 PolarHBondContact O-N 3.41Å; L277-L302 HydrophobicContact CD2-CB 3.64Å; L277-L302 HydrophobicContact CD2-CD2 4.39Å; L277-L302 HydrophobicContact CG-CB 4.28Å; L277-L302 HydrophobicContact CG-CD2 4.14Å; L277-I315 HydrophobicContact CD1-CG2 3.54Å; L277-I317 HydrophobicContact CD1-CG1 3.99Å
278	K	92.1	Very high	79.9	Confident	42 Å²	42	53.8 Å²	53.8	18%	0.183	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	142	175.3	-59.8	178	175.3	167.7	0	110.5	V276 P285 S290 A291 I315 L316 E318	V276-K278 HydrophobicContact CG1-CG 4.16Å; K278-P285 HydrophobicContact CB-CB 3.95Å; K278-P285 HydrophobicContact CB-CG 4.08Å; K278-S290 CarbonylContact C-O 3.58Å; K278-S290 WeakPolarHBondContact CA-O 3.24Å; K278-A291 HydrophobicContact CG-CB 3.84Å; K278-I315 CarbonylContact O-C 3.52Å; K278-I315 WeakPolarHBondContact O-CA 3.15Å; K278-L316 HydrophobicContact CB-CB 4.33Å; K278-L316 HydrophobicContact CD-CD2 4.41Å; K278-L316 PolarHBondContact N-O 3.43Å; K278-L316 PolarHBondContact O-N 3.44Å; K278-E318 VanDerWaalsContact CE-OE2 3.26Å; K278-E318 WeakPolarHBondContact CE-OE2 3.28Å; K278-E318 VanDerWaalsContact NZ-CD 3.34Å; K278-E318 IonicContact NZ-OE1 3.29Å; K278-E318 PolarHBondContact NZ-OE1 3.13Å; K278-E318 IonicContact NZ-OE2 3.14Å; K278-E318 PolarHBondContact NZ-OE2 3.33Å
279	M	90.6	Very high	81	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.01	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	141.4	177.4	-174	173.3	61.9	0	0	111.2	V258 S289 S290 L302 T304 Y313 Y314 I315	V258-M279 HydrophobicContact CG2-CE 4.37Å; V258-M279 HydrophobicContact CG2-SD 3.51Å; V258-M279 VanDerWaalsContact CG2-SD 3.51Å; M279-S289 WeakPolarHBondContact O-CB 3.04Å; M279-S290 PolarHBondContact N-O 2.9Å; M279-S290 PolarHBondContact O-N 2.95Å; M279-S290 VanDerWaalsContact O-N 3.09Å; M279-S290 PolarHBondContact O-OG 3.38Å; M279-S290 VanDerWaalsContact O-OG 3.04Å; M279-L302 HydrophobicContact CB-CD2 3.66Å; M279-L302 HydrophobicContact CE-CD2 4.37Å; M279-L302 HydrophobicContact CE-CG 4.42Å; M279-T304 WeakPolarHBondContact CE-OG1 3.37Å; M279-Y313 HydrophobicContact CG-CD1 3.95Å; M279-Y313 HydrophobicContact SD-CD1 3.91Å; M279-Y314 WeakPolarHBondContact CA-O 3.44Å; M279-I315 HydrophobicContact CG-CG1 4Å; M279-I315 HydrophobicContact SD-CG1 4.14Å
280	R	90.3	Very high	82.4	Confident	46 Å²	46	43.5 Å²	43.5	17%	0.174	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	140.8	175.2	-175.7	177.2	-178.2	-149.6	0.6	110.9	S179 A283 P284 P285 H287 Y314	S179-R280 PolarHBondContact O-NH1 2.95Å; S179-R280 PolarHBondContact OG-NH1 3Å; S179-R280 VanDerWaalsContact OG-NH1 3.09Å; R280-A283 WeakPolarHBondContact CB-O 3.24Å; R280-A283 WeakPolarHBondContact CG-O 3.29Å; R280-P284 PolarHBondContact NH1-O 3.23Å; R280-P285 HydrophobicContact CB-CB 3.65Å; R280-H287 WeakPolarHBondContact CD-O 3.22Å; R280-H287 PolarHBondContact NE-O 3.47Å; R280-Y314 PolarHBondContact N-O 3.24Å; R280-Y314 PolarHBondContact O-N 3.34Å
281	A	88.6	Confident	83.8	Confident	26 Å²	26	43.6 Å²	43.6	22%	0.215	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	146.2	173.1	0	0	0	0	0	111	A283 A308 Y313	A281-A283 PolarHBondContact O-N 3.4Å; A281-A308 HydrophobicContact CB-CB 4.32Å; A281-Y313 HydrophobicContact CB-CD1 4.2Å; A281-Y313 HydrophobicContact CB-CD2 4.2Å; A281-Y313 HydrophobicContact CB-CE1 3.75Å; A281-Y313 HydrophobicContact CB-CE2 3.75Å; A281-Y313 HydrophobicContact CB-CG 4.41Å
282	R	87.8	Confident	85.2	Confident	61 Å²	61	37.9 Å²	37.9	23%	0.23	22%	0.215	C	C	.	.	S	Bend	trans	68.1	-28.7	171.6	-53	176.4	61.7	-177.3	-2.7	116.6	L181 P182 Q311 W312 Y314	L181-R282 HydrophobicContact CD2-CB 4.02Å; P182-R282 WeakPolarHBondContact CD-O 3.45Å; P182-R282 HydrophobicContact CG-CB 4.36Å; P182-R282 VanDerWaalsContact CG-O 3.29Å; P182-R282 WeakPolarHBondContact CG-O 3.31Å; R282-Q311 HydrophobicContact CG-CB 4.07Å; R282-Q311 HydrophobicContact CG-CG 3.94Å; R282-W312 WeakPolarHBondContact CA-O 3.39Å; R282-W312 PolarHBondContact N-O 3.08Å; R282-Y314 VanDerWaalsContact C-CE2 3.49Å; R282-Y314 WeakPolarHBondContact O-CE2 3.34Å
283	A	87.9	Confident	85.9	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.008	20%	0.201	C	C	.	.	S	Bend	trans	-143.1	155.1	-178	0	0	0	0	0	112	S179 P180 R280 A281 Y314	S179-A283 WeakPolarHBondContact OG-CB 3.27Å; P180-A283 WeakPolarHBondContact O-CB 3.19Å; R280-A283 WeakPolarHBondContact CB-O 3.24Å; R280-A283 WeakPolarHBondContact CG-O 3.29Å; A281-A283 PolarHBondContact O-N 3.4Å; A283-Y314 VanDerWaalsContact C-CD2 3.47Å
284	P	86.4	Confident	86.2	Confident	12 Å²	12	35.5 Å²	35.5	8%	0.078	20%	0.199	C	C	.	.			trans	-52.1	139.8	176.8	-28.8	34.9	0	0	0	114.2	S179 R280 V286 Y314	S179-P284 WeakPolarHBondContact CB-O 3.19Å; S179-P284 VanDerWaalsContact OG-CD 3.28Å; S179-P284 WeakPolarHBondContact OG-CD 3.36Å; S179-P284 VanDerWaalsContact OG-N 3.15Å; S179-P284 PolarHBondContact OG-O 2.94Å; R280-P284 PolarHBondContact NH1-O 3.23Å; P284-V286 VanDerWaalsContact C-N 3.28Å; P284-V286 HydrophobicContact CB-CG2 4.49Å; P284-V286 PolarHBondContact O-N 3.42Å; P284-Y314 HydrophobicContact CG-CD1 4.22Å; P284-Y314 HydrophobicContact CG-CE1 4.44Å
285	P	83.5	Confident	86.1	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	67	-173.3	34.5	-38.9	0	0	0	112.7	K278 R280 S289 L316	K278-P285 HydrophobicContact CB-CB 3.95Å; K278-P285 HydrophobicContact CB-CG 4.08Å; R280-P285 HydrophobicContact CB-CB 3.65Å; P285-S289 VanDerWaalsContact CB-CB 3.44Å; P285-L316 HydrophobicContact CG-CB 3.32Å; P285-L316 HydrophobicContact CG-CD2 4.19Å; P285-L316 HydrophobicContact CG-CG 4.4Å
286	V	78.4	Confident	85.7	Confident	71 Å²	71	46.7 Å²	46.7	43%	0.43	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-42.5	173.8	-173.3	0	0	0	0	110.9	P284	P284-V286 VanDerWaalsContact C-N 3.28Å; P284-V286 HydrophobicContact CB-CG2 4.49Å; P284-V286 PolarHBondContact O-N 3.42Å
287	H	72.8	Confident	85	Confident	101 Å²	101	53 Å²	53	47%	0.468	27%	0.266	S	S	.	.	S	Bend	trans	-133.7	153.1	178.2	-55.2	-58.1	0	0	0	109.6	T178 R280 S289	T178-H287 PolarHBondContact OG1-CD2 3.03Å; T178-H287 PolarHBondContact OG1-NE2 3.01Å; R280-H287 WeakPolarHBondContact CD-O 3.22Å; R280-H287 PolarHBondContact NE-O 3.47Å; H287-S289 PolarHBondContact O-N 3.23Å
288	N	73.9	Confident	84.3	Confident	151 Å²	151	59.8 Å²	59.8	81%	0.807	30%	0.302	S	S	*	.	S	Bend	trans	50.3	51.5	179.6	-62.2	-6	0	0	0	113.1
289	S	81.4	Confident	83.7	Confident	34 Å²	34	61.6 Å²	61.6	24%	0.238	32%	0.318	C	S	.	.			trans	-117.3	146.7	179.3	59.1	0	0	0	0	111.1	M279 P285 H287 A291	M279-S289 WeakPolarHBondContact O-CB 3.04Å; P285-S289 VanDerWaalsContact CB-CB 3.44Å; H287-S289 PolarHBondContact O-N 3.23Å; S289-A291 PolarHBondContact O-N 2.97Å
290	S	84.1	Confident	83.6	Confident	36 Å²	36	61.7 Å²	61.7	25%	0.252	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	125.9	165.3	55.3	0	0	0	0	108.9	K278 M279	K278-S290 CarbonylContact C-O 3.58Å; K278-S290 WeakPolarHBondContact CA-O 3.24Å; M279-S290 PolarHBondContact N-O 2.9Å; M279-S290 PolarHBondContact O-N 2.95Å; M279-S290 VanDerWaalsContact O-N 3.09Å; M279-S290 PolarHBondContact O-OG 3.38Å; M279-S290 VanDerWaalsContact O-OG 3.04Å
291	A	87.6	Confident	83.6	Confident	59 Å²	59	62.9 Å²	62.9	49%	0.488	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	142.5	-176.7	0	0	0	0	0	111	L277 K278 S289	L277-A291 CarbonylContact O-C 3.41Å; L277-A291 VanDerWaalsContact O-CA 3.31Å; L277-A291 WeakPolarHBondContact O-CA 2.94Å; K278-A291 HydrophobicContact CG-CB 3.84Å; S289-A291 PolarHBondContact O-N 2.97Å
292	L	89.2	Confident	83.7	Confident	26 Å²	26	62.4 Å²	62.4	14%	0.136	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	130.8	177.8	-177.3	70	0	0	0	109.8	V276 L277 W297 E301 L302	V276-L292 WeakPolarHBondContact CA-O 3.41Å; L277-L292 PolarHBondContact N-O 2.85Å; L277-L292 PolarHBondContact O-N 3.41Å; L292-W297 HydrophobicContact CD1-CD2 4.25Å; L292-W297 HydrophobicContact CD1-CG 3.89Å; L292-E301 WeakPolarHBondContact CD2-O 3.27Å; L292-L302 HydrophobicContact CB-CD1 4.2Å; L292-L302 HydrophobicContact CD2-CB 4.4Å
293	D	89.2	Confident	83.7	Confident	27 Å²	27	61.8 Å²	61.8	14%	0.144	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	112.7	173.2	-171	-14.8	0	0	0	109.9	R295 E296 Y320	D293-R295 PolarHBondContact O-N 2.89Å; D293-R295 WeakPolarHBondContact OD1-CB 3.25Å; D293-R295 WeakPolarHBondContact OD1-CG 3.45Å; D293-R295 PolarHBondContact OD1-N 3.46Å; D293-R295 IonicContact OD1-NE 2.72Å; D293-R295 PolarHBondContact OD1-NE 2.85Å; D293-R295 VanDerWaalsContact OD1-NE 3.14Å; D293-R295 IonicContact OD2-CZ 2.84Å; D293-R295 VanDerWaalsContact OD2-CZ 3.29Å; D293-R295 IonicContact OD2-NE 3.57Å; D293-R295 PolarHBondContact OD2-NE 2.82Å; D293-R295 IonicContact OD2-NH2 3.69Å; D293-R295 PolarHBondContact OD2-NH2 3.31Å; D293-E296 PolarHBondContact O-N 3.34Å; D293-Y320 PolarHBondContact OD2-OH 3.44Å
294	C	87.3	Confident	83.5	Confident	4 Å²	4	62.5 Å²	62.5	3%	0.027	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-0.7	-177.4	-60.9	0	0	0	0	113.9	C273 V275 C300	C273-C294 HydrophobicContact CB-CB 3.85Å; C273-C294 CarbonylContact O-C 3.28Å; C273-C294 VanDerWaalsContact O-C 3.29Å; V275-C294 HydrophobicContact CG2-CB 3.88Å; V275-C294 WeakPolarHBondContact O-CB 3.1Å; V275-C294 PolarHBondContact O-N 3.49Å; C294-C300 WeakPolarHBondContact CA-SG 3.44Å; C294-C300 HydrophobicContact CB-CB 3.54Å; C294-C300 WeakPolarHBondContact CB-SG 3.16Å; C294-C300 WeakPolarHBondContact SG-CB 3.11Å; C294-C300 CovalentContact SG-SG 2.03Å; C294-C300 PolarHBondContact SG-SG 3.46Å
295	R	84.4	Confident	83.2	Confident	109 Å²	109	64.8 Å²	64.8	41%	0.411	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-31.8	173.7	-65.7	-179.8	-65.5	164.6	5.5	112.3	T272 C273 D293 Y320	T272-R295 WeakPolarHBondContact CG2-O 3.42Å; C273-R295 VanDerWaalsContact O-CG 3.31Å; C273-R295 WeakPolarHBondContact O-CG 3.32Å; C273-R295 PolarHBondContact O-N 2.94Å; D293-R295 PolarHBondContact O-N 2.89Å; D293-R295 WeakPolarHBondContact OD1-CB 3.25Å; D293-R295 WeakPolarHBondContact OD1-CG 3.45Å; D293-R295 PolarHBondContact OD1-N 3.46Å; D293-R295 IonicContact OD1-NE 2.72Å; D293-R295 PolarHBondContact OD1-NE 2.85Å; D293-R295 VanDerWaalsContact OD1-NE 3.14Å; D293-R295 IonicContact OD2-CZ 2.84Å; D293-R295 VanDerWaalsContact OD2-CZ 3.29Å; D293-R295 IonicContact OD2-NE 3.57Å; D293-R295 PolarHBondContact OD2-NE 2.82Å; D293-R295 IonicContact OD2-NH2 3.69Å; D293-R295 PolarHBondContact OD2-NH2 3.31Å; R295-Y320 VanDerWaalsContact CZ-CZ 3.43Å; R295-Y320 VanDerWaalsContact NE-CE2 3.33Å; R295-Y320 PolarHBondContact NH2-OH 2.69Å
296	E	81.8	Confident	83	Confident	152 Å²	152	66.3 Å²	66.3	71%	0.71	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-17.3	-174.6	-63.5	178	-179.7	0	0	112.6	D293	D293-E296 PolarHBondContact O-N 3.34Å
297	W	76.8	Confident	83.3	Confident	154 Å²	154	63 Å²	63	58%	0.583	33%	0.328	S	S	*	.			trans	-123.3	116.7	-170.9	-63.1	83.9	0	0	0	111.6	L292 P299 C300	L292-W297 HydrophobicContact CD1-CD2 4.25Å; L292-W297 HydrophobicContact CD1-CG 3.89Å; W297-P299 CarbonylContact O-C 3.29Å; W297-C300 PolarHBondContact O-N 3.03Å
298	N	77.1	Confident	83.9	Confident	142 Å²	142	58.8 Å²	58.8	76%	0.759	31%	0.311	S	S	*	.	S	Bend	trans	-131.5	112.9	174.2	-168.7	19.5	0	0	0	110.1
299	P	79.1	Confident	84.5	Confident	79 Å²	79	52.6 Å²	52.6	51%	0.513	28%	0.276	S	S	.	.	S	Bend	cis	-70.9	146.6	3.9	30.1	-35.3	0	0	0	113.1	W297 E301	W297-P299 CarbonylContact O-C 3.29Å; P299-E301 HydrophobicContact CB-CG 4.06Å; P299-E301 HydrophobicContact CG-CG 4.06Å; P299-E301 PolarHBondContact O-N 2.81Å; P299-E301 VanDerWaalsContact O-N 3.14Å
300	C	88.2	Confident	84.8	Confident	5 Å²	5	55.9 Å²	55.9	3%	0.034	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	98	176.2	-172.1	0	0	0	0	110.3	Q259 L260 C294 W297	Q259-C300 WeakPolarHBondContact CA-O 3.42Å; L260-C300 HydrophobicContact CB-CB 4.26Å; L260-C300 PolarHBondContact N-O 3.47Å; C294-C300 WeakPolarHBondContact CA-SG 3.44Å; C294-C300 HydrophobicContact CB-CB 3.54Å; C294-C300 WeakPolarHBondContact CB-SG 3.16Å; C294-C300 WeakPolarHBondContact SG-CB 3.11Å; C294-C300 CovalentContact SG-SG 2.03Å; C294-C300 PolarHBondContact SG-SG 3.46Å; W297-C300 PolarHBondContact O-N 3.03Å
301	E	90.8	Very high	85.1	Confident	70 Å²	70	57 Å²	57	33%	0.327	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	121.3	-176.4	-57.8	-167.2	152.3	0	0	112	K257 V258 Q259 L292 P299	K257-E301 WeakPolarHBondContact CD-OE2 3.37Å; K257-E301 IonicContact NZ-OE1 2.69Å; K257-E301 PolarHBondContact NZ-OE1 2.74Å; K257-E301 IonicContact NZ-OE2 3.06Å; K257-E301 PolarHBondContact NZ-OE2 2.99Å; V258-E301 CarbonylContact O-C 3.45Å; V258-E301 WeakPolarHBondContact O-CA 3.41Å; Q259-E301 HydrophobicContact CB-CG 3.98Å; Q259-E301 PolarHBondContact OE1-OE1 2.91Å; L292-E301 WeakPolarHBondContact CD2-O 3.27Å; P299-E301 HydrophobicContact CB-CG 4.06Å; P299-E301 HydrophobicContact CG-CG 4.06Å; P299-E301 PolarHBondContact O-N 2.81Å; P299-E301 VanDerWaalsContact O-N 3.14Å
302	L	89.4	Confident	85.3	Confident	17 Å²	17	56.9 Å²	56.9	9%	0.089	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	123	172.6	-176.6	63	0	0	0	109.9	V258 L277 M279 L292	V258-L302 PolarHBondContact N-O 3.23Å; V258-L302 PolarHBondContact O-N 2.91Å; L277-L302 HydrophobicContact CD2-CB 3.64Å; L277-L302 HydrophobicContact CD2-CD2 4.39Å; L277-L302 HydrophobicContact CG-CB 4.28Å; L277-L302 HydrophobicContact CG-CD2 4.14Å; M279-L302 HydrophobicContact CB-CD2 3.66Å; M279-L302 HydrophobicContact CE-CD2 4.37Å; M279-L302 HydrophobicContact CE-CG 4.42Å; L292-L302 HydrophobicContact CB-CD1 4.2Å; L292-L302 HydrophobicContact CD2-CB 4.4Å
303	V	87.8	Confident	85.5	Confident	48 Å²	48	56.1 Å²	56.1	29%	0.291	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	132.9	-176	174.3	0	0	0	0	110	K255 V256 K257 L305	K255-V303 HydrophobicContact CD-CG1 4.21Å; K255-V303 HydrophobicContact CG-CG1 3.97Å; V256-V303 WeakPolarHBondContact O-CA 3.42Å; K257-V303 HydrophobicContact CB-CG2 4.31Å; K257-V303 HydrophobicContact CD-CG2 4.28Å; K257-V303 HydrophobicContact CG-CG2 3.91Å; V303-L305 HydrophobicContact CG1-CD2 3.89Å; V303-L305 HydrophobicContact CG1-CG 4.12Å
304	T	85.3	Confident	85.6	Confident	16 Å²	16	54.9 Å²	54.9	10%	0.098	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	122.9	166.2	-63.1	0	0	0	0	109.9	V256 M279	V256-T304 PolarHBondContact N-O 2.78Å; V256-T304 PolarHBondContact O-N 3.23Å; M279-T304 WeakPolarHBondContact CE-OG1 3.37Å
305	L	79.5	Confident	85.9	Confident	60 Å²	60	54.7 Å²	54.7	31%	0.314	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	132.6	177.6	-58.4	167.1	0	0	0	107.9	K255 V303 R486	K255-L305 HydrophobicContact CD-CD2 4.32Å; K255-L305 HydrophobicContact CG-CD2 4.17Å; V303-L305 HydrophobicContact CG1-CD2 3.89Å; V303-L305 HydrophobicContact CG1-CG 4.12Å; L305-R486 VanDerWaalsContact CD1-NH1 3.3Å
306	V	78.6	Confident	86.2	Confident	32 Å²	32	50.4 Å²	50.4	19%	0.194	25%	0.249	C	C	.	.	S	Bend	trans	59.1	75.3	-173.2	-163.1	0	0	0	0	110.9	S254 M481 P482 L483	S254-V306 PolarHBondContact O-N 3.1Å; S254-V306 VanDerWaalsContact O-N 3.08Å; V306-M481 HydrophobicContact CB-CE 4.43Å; V306-M481 HydrophobicContact CG1-CE 3.86Å; V306-M481 WeakPolarHBondContact O-CE 3.08Å; V306-P482 VanDerWaalsContact CG1-O 3.31Å; V306-P482 WeakPolarHBondContact CG1-O 3.49Å; V306-L483 HydrophobicContact CG1-CD2 4.05Å
307	P	85.4	Confident	86.7	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-76.9	151.5	178.7	34	-38.3	0	0	0	112.5	I249 I253 S254 V256 W309 Y313 M481	I249-P307 HydrophobicContact CG2-CB 4.28Å; I249-P307 HydrophobicContact CG2-CG 4.36Å; I253-P307 HydrophobicContact CB-CG 4.02Å; I253-P307 HydrophobicContact CG2-CG 3.78Å; I253-P307 WeakPolarHBondContact O-CD 3.18Å; I253-P307 WeakPolarHBondContact O-CG 3.45Å; S254-P307 WeakPolarHBondContact O-CD 3.28Å; V256-P307 HydrophobicContact CG2-CB 3.67Å; V256-P307 HydrophobicContact CG2-CG 3.85Å; P307-W309 PolarHBondContact O-N 3.4Å; P307-W309 PolarHBondContact O-NE1 2.93Å; P307-Y313 WeakPolarHBondContact CA-OH 3.44Å; P307-M481 VanDerWaalsContact O-CE 3.31Å; P307-M481 WeakPolarHBondContact O-CE 3.48Å
308	A	85.3	Confident	87.3	Confident	14 Å²	14	38.8 Å²	38.8	12%	0.116	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-66.9	127	170.9	0	0	0	0	0	110.1	A281 Q311 Y313 M481	A281-A308 HydrophobicContact CB-CB 4.32Å; A308-Q311 HydrophobicContact CB-CB 4.49Å; A308-Q311 HydrophobicContact CB-CG 4.3Å; A308-Y313 HydrophobicContact CB-CE2 4.23Å; A308-Y313 PolarHBondContact N-OH 3.33Å; A308-M481 WeakPolarHBondContact CA-SD 3.32Å; A308-M481 HydrophobicContact CB-CE 4.35Å; A308-M481 HydrophobicContact CB-SD 3.71Å; A308-M481 VanDerWaalsContact N-CE 3.32Å
309	W	87.1	Confident	87.8	Confident	20 Å²	20	33.5 Å²	33.5	8%	0.076	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	149.1	-175.7	-65.1	-13.6	0	0	0	112.2	N251 I253 P307 Q311 I408 P482 Y525	N251-W309 HydrophobicContact CB-CB 4.37Å; N251-W309 HydrophobicContact CB-CD2 4.43Å; N251-W309 HydrophobicContact CB-CE3 4.27Å; N251-W309 HydrophobicContact CB-CG 4.5Å; I253-W309 PolarHBondContact O-NE1 3.39Å; P307-W309 PolarHBondContact O-N 3.4Å; P307-W309 PolarHBondContact O-NE1 2.93Å; W309-Q311 WeakPolarHBondContact O-CG 3.34Å; W309-Q311 PolarHBondContact O-N 3.47Å; W309-I408 HydrophobicContact CH2-CD1 3.55Å; W309-I408 HydrophobicContact CZ3-CD1 3.42Å; W309-I408 VanDerWaalsContact CZ3-CD1 3.42Å; W309-P482 HydrophobicContact CH2-CG 3.42Å; W309-P482 VanDerWaalsContact CH2-CG 3.42Å; W309-P482 HydrophobicContact CZ2-CG 3.93Å; W309-P482 VanDerWaalsContact CZ3-CD 3.46Å; W309-P482 HydrophobicContact CZ3-CG 3.93Å; W309-Y525 HydrophobicContact CE3-CE2 4.45Å; W309-Y525 HydrophobicContact CZ3-CE1 4.05Å; W309-Y525 AromaticContact CZ3-CZ 3.92Å
310	E	87.3	Confident	88	Confident	104 Å²	104	33.7 Å²	33.7	49%	0.486	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	34.8	178.2	-57	177.7	175.2	0	0	112.2	F248 I249 N251	F248-E310 HydrophobicContact CZ-CB 4.43Å; I249-E310 WeakPolarHBondContact O-CA 3.45Å; I249-E310 PolarHBondContact O-N 3.26Å; N251-E310 HydrophobicContact CB-CG 4.28Å; N251-E310 PolarHBondContact ND2-OE1 3.37Å; N251-E310 VanDerWaalsContact ND2-OE1 3.12Å
311	Q	90.1	Very high	87.2	Confident	59 Å²	59	40.9 Å²	40.9	28%	0.276	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	151.2	-179.2	-62	-58.1	-48.5	0	0	111.5	I249 R282 A308 W309	I249-Q311 PolarHBondContact N-O 3.38Å; I249-Q311 VanDerWaalsContact N-O 3.12Å; R282-Q311 HydrophobicContact CG-CB 4.07Å; R282-Q311 HydrophobicContact CG-CG 3.94Å; A308-Q311 HydrophobicContact CB-CB 4.49Å; A308-Q311 HydrophobicContact CB-CG 4.3Å; W309-Q311 WeakPolarHBondContact O-CG 3.34Å; W309-Q311 PolarHBondContact O-N 3.47Å
312	W	92.3	Very high	86.2	Confident	56 Å²	56	39 Å²	39	21%	0.212	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	133.7	168.5	-69.2	101	0	0	0	111.2	E102 V225 K246 F248 R282 Y314	E102-W312 PolarHBondContact OE2-NE1 3.32Å; V225-W312 HydrophobicContact CG1-CH2 4.37Å; V225-W312 HydrophobicContact CG1-CZ3 4.05Å; K246-W312 HydrophobicContact CB-CE3 4.14Å; K246-W312 HydrophobicContact CD-CD2 4.41Å; K246-W312 HydrophobicContact CD-CE3 3.94Å; K246-W312 HydrophobicContact CD-CZ3 4.17Å; K246-W312 HydrophobicContact CG-CE3 3.97Å; K246-W312 HydrophobicContact CG-CZ3 4.03Å; F248-W312 HydrophobicContact CB-CD2 4.12Å; F248-W312 HydrophobicContact CB-CE3 3.78Å; F248-W312 HydrophobicContact CB-CH2 3.84Å; F248-W312 HydrophobicContact CB-CZ2 4.17Å; F248-W312 HydrophobicContact CB-CZ3 3.64Å; F248-W312 AromaticContact CD2-CD2 3.98Å; F248-W312 HydrophobicContact CD2-CD2 3.98Å; F248-W312 AromaticContact CD2-CE2 3.84Å; F248-W312 HydrophobicContact CD2-CE3 4.5Å; F248-W312 HydrophobicContact CD2-CG 4.26Å; F248-W312 HydrophobicContact CD2-CZ2 4.24Å; R282-W312 WeakPolarHBondContact CA-O 3.39Å; R282-W312 PolarHBondContact N-O 3.08Å; W312-Y314 HydrophobicContact CB-CE2 4.09Å
313	Y	92.1	Very high	85.3	Confident	10 Å²	10	45.7 Å²	45.7	4%	0.039	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	134	170	-86.8	-111.7	0	0	0	109.6	K246 V247 I249 M279 A281 P307 A308	K246-Y313 CarbonylContact C-O 3.51Å; K246-Y313 WeakPolarHBondContact CA-O 3.49Å; V247-Y313 PolarHBondContact N-O 3.33Å; V247-Y313 PolarHBondContact O-N 3.23Å; I249-Y313 HydrophobicContact CB-CD2 4.17Å; I249-Y313 HydrophobicContact CB-CE2 4.24Å; I249-Y313 HydrophobicContact CG1-CD2 3.4Å; I249-Y313 HydrophobicContact CG1-CE2 3.78Å; I249-Y313 HydrophobicContact CG1-CG 4.03Å; M279-Y313 HydrophobicContact CG-CD1 3.95Å; M279-Y313 HydrophobicContact SD-CD1 3.91Å; A281-Y313 HydrophobicContact CB-CD1 4.2Å; A281-Y313 HydrophobicContact CB-CD2 4.2Å; A281-Y313 HydrophobicContact CB-CE1 3.75Å; A281-Y313 HydrophobicContact CB-CE2 3.75Å; A281-Y313 HydrophobicContact CB-CG 4.41Å; P307-Y313 WeakPolarHBondContact CA-OH 3.44Å; A308-Y313 HydrophobicContact CB-CE2 4.23Å; A308-Y313 PolarHBondContact N-OH 3.33Å
314	Y	92.4	Very high	84.9	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.008	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	126.6	179.2	-65	-96.2	0	0	0	109	D103 I223 L244 Y245 K246 M279 R280 R282 A283 P284 W312	D103-Y314 PolarHBondContact N-OH 3.37Å; D103-Y314 VanDerWaalsContact N-OH 3.16Å; D103-Y314 WeakPolarHBondContact OD1-CE1 3.39Å; D103-Y314 PolarHBondContact OD1-OH 3.46Å; D103-Y314 VanDerWaalsContact OD1-OH 3.07Å; I223-Y314 HydrophobicContact CD1-CE1 4.12Å; L244-Y314 HydrophobicContact CD2-CD1 4.35Å; Y245-Y314 WeakPolarHBondContact O-CA 3.49Å; K246-Y314 HydrophobicContact CB-CD1 4.3Å; K246-Y314 HydrophobicContact CB-CE1 4.44Å; M279-Y314 WeakPolarHBondContact CA-O 3.44Å; R280-Y314 PolarHBondContact N-O 3.24Å; R280-Y314 PolarHBondContact O-N 3.34Å; R282-Y314 VanDerWaalsContact C-CE2 3.49Å; R282-Y314 WeakPolarHBondContact O-CE2 3.34Å; A283-Y314 VanDerWaalsContact C-CD2 3.47Å; P284-Y314 HydrophobicContact CG-CD1 4.22Å; P284-Y314 HydrophobicContact CG-CE1 4.44Å; W312-Y314 HydrophobicContact CB-CE2 4.09Å
315	I	93.4	Very high	84.8	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	116.8	-177.7	-61	161.5	0	0	0	107.5	L226 Y245 V247 V258 L277 K278 M279 I330 V332	L226-I315 HydrophobicContact CD1-CD1 4.01Å; Y245-I315 PolarHBondContact N-O 3.49Å; Y245-I315 PolarHBondContact O-N 3.34Å; V247-I315 HydrophobicContact CG1-CD1 3.9Å; V258-I315 HydrophobicContact CG1-CD1 4.12Å; V258-I315 HydrophobicContact CG1-CG2 4.23Å; V258-I315 HydrophobicContact CG2-CD1 3.74Å; V258-I315 HydrophobicContact CG2-CG1 4.3Å; L277-I315 HydrophobicContact CD1-CG2 3.54Å; K278-I315 CarbonylContact O-C 3.52Å; K278-I315 WeakPolarHBondContact O-CA 3.15Å; M279-I315 HydrophobicContact CG-CG1 4Å; M279-I315 HydrophobicContact SD-CG1 4.14Å; I315-I330 HydrophobicContact CG2-CD1 4.09Å; I315-V332 HydrophobicContact CD1-CG2 3.82Å
316	L	91.2	Very high	85.2	Confident	18 Å²	18	42.4 Å²	42.4	9%	0.094	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	127.6	179.3	-179.3	68.9	0	0	0	109.1	L244 K278 P285 E318	L244-L316 HydrophobicContact CB-CD1 4.19Å; L244-L316 HydrophobicContact CD1-CB 3.89Å; L244-L316 HydrophobicContact CD1-CD1 3.97Å; K278-L316 HydrophobicContact CB-CB 4.33Å; K278-L316 HydrophobicContact CD-CD2 4.41Å; K278-L316 PolarHBondContact N-O 3.43Å; K278-L316 PolarHBondContact O-N 3.44Å; P285-L316 HydrophobicContact CG-CB 3.32Å; P285-L316 HydrophobicContact CG-CD2 4.19Å; P285-L316 HydrophobicContact CG-CG 4.4Å; L316-E318 HydrophobicContact CD2-CG 3.93Å; L316-E318 WeakPolarHBondContact CD2-OE1 3.18Å; L316-E318 HydrophobicContact CG-CG 3.91Å
317	I	91.1	Very high	85.6	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	116.2	173.4	-58.7	174.9	0	0	0	107	I236 S242 A243 Y245 L260 V275 V276 L277 F328 I330	I236-I317 HydrophobicContact CD1-CB 4.18Å; I236-I317 HydrophobicContact CD1-CG2 3.73Å; S242-I317 CarbonylContact C-O 3.5Å; S242-I317 WeakPolarHBondContact CA-O 3.25Å; S242-I317 VanDerWaalsContact CB-O 3.32Å; S242-I317 WeakPolarHBondContact CB-O 3.47Å; A243-I317 PolarHBondContact N-O 3.44Å; A243-I317 PolarHBondContact O-N 3.37Å; Y245-I317 HydrophobicContact CD2-CD1 4.35Å; Y245-I317 HydrophobicContact CE2-CD1 3.91Å; Y245-I317 HydrophobicContact CE2-CG1 4.46Å; L260-I317 HydrophobicContact CD1-CD1 4.48Å; L260-I317 HydrophobicContact CD2-CD1 3.83Å; V275-I317 HydrophobicContact CB-CG2 3.83Å; V275-I317 HydrophobicContact CG1-CG2 4.11Å; V275-I317 HydrophobicContact CG2-CG2 4.13Å; V276-I317 WeakPolarHBondContact O-CA 3.36Å; L277-I317 HydrophobicContact CD1-CG1 3.99Å; I317-F328 HydrophobicContact CD1-CD2 4.2Å; I317-F328 HydrophobicContact CD1-CE1 4.39Å; I317-F328 HydrophobicContact CD1-CE2 3.31Å; I317-F328 HydrophobicContact CD1-CZ 3.43Å; I317-F328 VanDerWaalsContact CD1-CZ 3.43Å; I317-F328 HydrophobicContact CG2-CE1 4.35Å; I317-F328 HydrophobicContact CG2-CZ 4.27Å; I317-I330 HydrophobicContact CD1-CD1 3.91Å
318	E	89.7	Confident	85.9	Confident	63 Å²	63	44.6 Å²	44.6	29%	0.294	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	130.6	177.4	-63.4	-176.9	155.3	0	0	109.8	V275 V276 K278 L316	V275-E318 CarbonylContact C-O 3.55Å; V275-E318 VanDerWaalsContact CA-O 3.24Å; V275-E318 WeakPolarHBondContact CA-O 3.27Å; V276-E318 HydrophobicContact CB-CB 4.49Å; V276-E318 PolarHBondContact N-O 3.09Å; V276-E318 PolarHBondContact O-N 3.14Å; K278-E318 VanDerWaalsContact CE-OE2 3.26Å; K278-E318 WeakPolarHBondContact CE-OE2 3.28Å; K278-E318 VanDerWaalsContact NZ-CD 3.34Å; K278-E318 IonicContact NZ-OE1 3.29Å; K278-E318 PolarHBondContact NZ-OE1 3.13Å; K278-E318 IonicContact NZ-OE2 3.14Å; K278-E318 PolarHBondContact NZ-OE2 3.33Å; L316-E318 HydrophobicContact CD2-CG 3.93Å; L316-E318 WeakPolarHBondContact CD2-OE1 3.18Å; L316-E318 HydrophobicContact CG-CG 3.91Å
319	R	87.8	Confident	86.1	Confident	31 Å²	31	48.2 Å²	48.2	12%	0.117	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	136.9	177.5	-168.7	-177.8	65	83.5	-10.8	109.4	I236 I238 R241 S322 V326	I236-R319 HydrophobicContact CG2-CB 4.32Å; I238-R319 PolarHBondContact O-NH2 3.44Å; R241-R319 PolarHBondContact O-N 3.46Å; R319-S322 VanDerWaalsContact NH1-N 3.13Å; R319-S322 PolarHBondContact NH1-O 3.24Å; R319-S322 PolarHBondContact NH1-OG 3.14Å; R319-S322 PolarHBondContact NH2-O 3.16Å; R319-V326 HydrophobicContact CG-CG2 3.82Å
320	Y	83.2	Confident	86.4	Confident	82 Å²	82	47.2 Å²	47.2	32%	0.322	22%	0.224	S	C	.	.			trans	-65	154.3	166.9	-80.3	-84.7	0	0	0	110.8	P274 V276 D293 R295 S322	P274-Y320 PolarHBondContact O-N 3.24Å; P274-Y320 VanDerWaalsContact O-N 3.13Å; V276-Y320 HydrophobicContact CG2-CD2 4.24Å; V276-Y320 HydrophobicContact CG2-CE2 3.31Å; V276-Y320 VanDerWaalsContact CG2-OH 3.28Å; V276-Y320 WeakPolarHBondContact CG2-OH 3.38Å; D293-Y320 PolarHBondContact OD2-OH 3.44Å; R295-Y320 VanDerWaalsContact CZ-CZ 3.43Å; R295-Y320 VanDerWaalsContact NE-CE2 3.33Å; R295-Y320 PolarHBondContact NH2-OH 2.69Å; Y320-S322 VanDerWaalsContact C-N 3.27Å; Y320-S322 PolarHBondContact O-N 3.13Å; Y320-S322 PolarHBondContact O-OG 2.84Å
321	L	72.3	Confident	86.6	Confident	156 Å²	156	42.4 Å²	42.4	82%	0.817	20%	0.202	S	C	*	.	S	Bend	trans	-64.3	82.7	178	-72.4	158.1	0	0	0	111.1
322	S	68.3	Low	86.8	Confident	31 Å²	31	39.6 Å²	39.6	22%	0.217	19%	0.189	C	C	.	.			trans	-117.9	159	173.8	60	0	0	0	0	111.3	R319 Y320 S324	R319-S322 VanDerWaalsContact NH1-N 3.13Å; R319-S322 PolarHBondContact NH1-O 3.24Å; R319-S322 PolarHBondContact NH1-OG 3.14Å; R319-S322 PolarHBondContact NH2-O 3.16Å; Y320-S322 VanDerWaalsContact C-N 3.27Å; Y320-S322 PolarHBondContact O-N 3.13Å; Y320-S322 PolarHBondContact O-OG 2.84Å; S322-S324 VanDerWaalsContact C-N 3.28Å; S322-S324 PolarHBondContact O-N 3.45Å
323	N	71.6	Confident	86.7	Confident	158 Å²	158	40.6 Å²	40.6	85%	0.845	20%	0.196	S	C	*	.	S	Bend	trans	-94.1	34.3	177.7	-80.5	-5	0	0	0	112.6	I238	I238-N323 HydrophobicContact CD1-CB 4.26Å; I238-N323 WeakPolarHBondContact CD1-O 3.4Å
324	S	79.1	Confident	86.6	Confident	24 Å²	24	42.4 Å²	42.4	17%	0.168	21%	0.208	C	C	.	.	S	Bend	trans	-137.6	141.3	-176.2	58.7	0	0	0	0	111.7	S322	S322-S324 VanDerWaalsContact C-N 3.28Å; S322-S324 PolarHBondContact O-N 3.45Å
325	D	84.1	Confident	86.3	Confident	31 Å²	31	45.2 Å²	45.2	17%	0.166	23%	0.225	C	C	.	.			trans	-61.4	141.5	165.6	-54.5	-30	0	0	0	109.9	M235 I238 K266 Y327	M235-D325 HydrophobicContact CG-CB 4.47Å; M235-D325 HydrophobicContact SD-CB 4.46Å; I238-D325 PolarHBondContact N-OD1 2.9Å; I238-D325 VanDerWaalsContact N-OD1 3.14Å; K266-D325 IonicContact NZ-OD2 3.86Å; K266-D325 PolarHBondContact NZ-OD2 2.87Å; D325-Y327 HydrophobicContact CB-CE2 3.74Å
326	V	86.5	Confident	85.7	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	125.1	176.8	-174.9	0	0	0	0	109	M235 I236 T265 P274 V275 R319 F328	M235-V326 WeakPolarHBondContact CA-O 3.48Å; I236-V326 PolarHBondContact N-O 3.03Å; I236-V326 PolarHBondContact O-N 3.32Å; T265-V326 HydrophobicContact CG2-CG2 4.24Å; P274-V326 HydrophobicContact CG-CG2 4.07Å; V275-V326 HydrophobicContact CG1-CG1 3.93Å; R319-V326 HydrophobicContact CG-CG2 3.82Å; V326-F328 HydrophobicContact CG1-CD1 4.26Å
327	Y	88.4	Confident	84.8	Confident	73 Å²	73	49 Å²	49	29%	0.286	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	134.4	175.6	-61.5	-95.7	0	0	0	108.7	M235 C263 S264 K266 D325	M235-Y327 HydrophobicContact CB-CD1 3.96Å; M235-Y327 HydrophobicContact CB-CE1 3.98Å; M235-Y327 HydrophobicContact CG-CD1 3.82Å; M235-Y327 HydrophobicContact CG-CE1 3.52Å; M235-Y327 HydrophobicContact CG-CE2 4.32Å; M235-Y327 HydrophobicContact CG-CG 4.36Å; M235-Y327 HydrophobicContact SD-CD1 4.34Å; M235-Y327 HydrophobicContact SD-CE1 3.45Å; M235-Y327 WeakPolarHBondContact SD-CE1 3.39Å; M235-Y327 HydrophobicContact SD-CE2 4.44Å; M235-Y327 PolarHBondContact SD-OH 3.28Å; C263-Y327 CarbonylContact C-O 3.15Å; C263-Y327 VanDerWaalsContact CA-O 3.27Å; C263-Y327 WeakPolarHBondContact CA-O 3.18Å; S264-Y327 PolarHBondContact N-O 3.32Å; S264-Y327 PolarHBondContact O-N 3.11Å; K266-Y327 HydrophobicContact CD-CE2 4.16Å; K266-Y327 WeakPolarHBondContact CE-OH 3.39Å; K266-Y327 HydrophobicContact CG-CE2 3.89Å; K266-Y327 PolarHBondContact NZ-OH 3.03Å; K266-Y327 VanDerWaalsContact NZ-OH 3.07Å; D325-Y327 HydrophobicContact CB-CE2 3.74Å
328	F	89.9	Confident	83.4	Confident	4 Å²	4	52.9 Å²	52.9	2%	0.018	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	161.3	177.2	58.6	-92.6	0	0	0	110.8	Q234 I236 L260 C263 I317 V326 I330	Q234-F328 HydrophobicContact CB-CD2 4.13Å; Q234-F328 HydrophobicContact CB-CE1 4.45Å; Q234-F328 HydrophobicContact CB-CE2 3.56Å; Q234-F328 HydrophobicContact CB-CZ 3.75Å; Q234-F328 HydrophobicContact CG-CE2 4.33Å; Q234-F328 PolarHBondContact N-O 3.41Å; Q234-F328 PolarHBondContact O-N 3.49Å; Q234-F328 VanDerWaalsContact O-O 3.1Å; I236-F328 HydrophobicContact CD1-CE1 3.74Å; I236-F328 HydrophobicContact CD1-CZ 4.14Å; I236-F328 HydrophobicContact CG1-CE1 3.85Å; I236-F328 HydrophobicContact CG1-CZ 4.28Å; L260-F328 HydrophobicContact CD2-CB 4.32Å; L260-F328 HydrophobicContact CD2-CD2 3.32Å; L260-F328 HydrophobicContact CD2-CE2 3.83Å; L260-F328 HydrophobicContact CD2-CG 3.98Å; C263-F328 HydrophobicContact CB-CB 4.3Å; I317-F328 HydrophobicContact CD1-CD2 4.2Å; I317-F328 HydrophobicContact CD1-CE1 4.39Å; I317-F328 HydrophobicContact CD1-CE2 3.31Å; I317-F328 HydrophobicContact CD1-CZ 3.43Å; I317-F328 VanDerWaalsContact CD1-CZ 3.43Å; I317-F328 HydrophobicContact CG2-CE1 4.35Å; I317-F328 HydrophobicContact CG2-CZ 4.27Å; V326-F328 HydrophobicContact CG1-CD1 4.26Å; F328-I330 HydrophobicContact CD2-CB 4.24Å; F328-I330 HydrophobicContact CE2-CB 4.16Å; F328-I330 HydrophobicContact CE2-CG2 4.2Å
329	R	90.7	Very high	81.5	Confident	90 Å²	90	57.8 Å²	57.8	34%	0.34	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	117.6	172.2	-176.3	174.6	-73.4	-175.9	-4.5	109.3	F231 I232 D233 L260 V261	F231-R329 HydrophobicContact CB-CG 3.69Å; F231-R329 HydrophobicContact CD1-CG 4.01Å; F231-R329 HydrophobicContact CG-CG 4.3Å; I232-R329 WeakPolarHBondContact O-CA 3.28Å; D233-R329 WeakPolarHBondContact OD1-CB 3.39Å; D233-R329 IonicContact OD1-CZ 2.64Å; D233-R329 IonicContact OD1-NE 3.55Å; D233-R329 PolarHBondContact OD1-NE 2.95Å; D233-R329 IonicContact OD1-NH2 2.79Å; D233-R329 PolarHBondContact OD1-NH2 3.05Å; D233-R329 VanDerWaalsContact OD1-NH2 3.14Å; D233-R329 IonicContact OD2-CZ 2.97Å; D233-R329 IonicContact OD2-NE 3.16Å; D233-R329 IonicContact OD2-NH2 2.95Å; D233-R329 PolarHBondContact OD2-NH2 3.45Å; L260-R329 WeakPolarHBondContact CA-O 3.39Å; V261-R329 HydrophobicContact CB-CB 4.44Å; V261-R329 PolarHBondContact N-O 3.39Å; V261-R329 WeakPolarHBondContact O-CB 3.43Å; V261-R329 PolarHBondContact O-N 2.96Å
330	I	92.9	Very high	79.6	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	136.4	178.5	179.6	161.7	0	0	0	110.4	L226 F231 I232 Q234 Y245 V258 L260 I315 I317 F328	L226-I330 HydrophobicContact CD1-CD1 3.67Å; L226-I330 HydrophobicContact CD1-CG1 3.99Å; L226-I330 HydrophobicContact CD2-CG2 4.14Å; F231-I330 WeakPolarHBondContact CA-O 3.27Å; I232-I330 PolarHBondContact N-O 3.06Å; I232-I330 PolarHBondContact O-N 2.93Å; Q234-I330 HydrophobicContact CG-CG2 3.97Å; Y245-I330 HydrophobicContact CD2-CD1 4.49Å; V258-I330 HydrophobicContact CG1-CD1 4.18Å; V258-I330 HydrophobicContact CG1-CG1 4.45Å; L260-I330 HydrophobicContact CD2-CB 3.88Å; L260-I330 HydrophobicContact CD2-CD1 4.45Å; L260-I330 HydrophobicContact CD2-CG1 4.29Å; I315-I330 HydrophobicContact CG2-CD1 4.09Å; I317-I330 HydrophobicContact CD1-CD1 3.91Å; F328-I330 HydrophobicContact CD2-CB 4.24Å; F328-I330 HydrophobicContact CE2-CB 4.16Å; F328-I330 HydrophobicContact CE2-CG2 4.2Å
331	G	92.4	Very high	77.5	Confident	2 Å²	2	62.7 Å²	62.7	2%	0.021	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	148.4	170.4	0	0	0	0	0	111.9	Y230 Q259	Y230-G331 WeakPolarHBondContact O-CA 3.28Å; Q259-G331 PolarHBondContact N-O 3.21Å; Q259-G331 PolarHBondContact O-N 3.04Å
332	V	93	Very high	75.7	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.006	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	125.4	173.7	-175	0	0	0	0	108.3	L226 P228 G229 V247 V256 K257 V258 I315	L226-V332 HydrophobicContact CB-CG2 4.26Å; L226-V332 HydrophobicContact CD1-CG2 3.88Å; P228-V332 CarbonylContact C-O 3.58Å; P228-V332 WeakPolarHBondContact CA-O 3.39Å; G229-V332 PolarHBondContact N-O 2.98Å; V247-V332 HydrophobicContact CG1-CG1 4.42Å; V247-V332 HydrophobicContact CG1-CG2 4.44Å; V247-V332 HydrophobicContact CG2-CB 4.5Å; V247-V332 HydrophobicContact CG2-CG1 4.26Å; V256-V332 HydrophobicContact CG1-CG1 3.88Å; K257-V332 CarbonylContact O-C 3.58Å; K257-V332 WeakPolarHBondContact O-CA 3.28Å; V258-V332 HydrophobicContact CG2-CG1 4.35Å; V258-V332 HydrophobicContact CG2-CG2 4.21Å; I315-V332 HydrophobicContact CD1-CG2 3.82Å
333	Q	91.1	Very high	74.1	Confident	77 Å²	77	64 Å²	64	36%	0.36	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	134.7	174.1	-69.9	-178.7	-14	0	0	109.4	K257	K257-Q333 HydrophobicContact CB-CB 4.39Å; K257-Q333 PolarHBondContact N-O 3Å; K257-Q333 PolarHBondContact O-N 2.9Å
334	V	88.9	Confident	72.4	Confident	48 Å²	48	66.5 Å²	66.5	29%	0.291	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	138.9	176.7	-61.7	0	0	0	0	109.2	P228 I249 I253 V256	P228-V334 HydrophobicContact CB-CG1 4.03Å; P228-V334 HydrophobicContact CB-CG2 3.8Å; P228-V334 HydrophobicContact CG-CG1 4.21Å; P228-V334 HydrophobicContact CG-CG2 4.5Å; I249-V334 HydrophobicContact CD1-CG1 4.04Å; I253-V334 HydrophobicContact CD1-CB 4.36Å; I253-V334 HydrophobicContact CD1-CG2 4.42Å; I253-V334 HydrophobicContact CG2-CB 4.17Å; V256-V334 HydrophobicContact CG2-CG1 4.25Å
335	T	86.4	Confident	70.1	Confident	61 Å²	61	72.1 Å²	72.1	37%	0.374	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	113.7	174.9	-52.4	0	0	0	0	108.8	I253 S254 K255	I253-T335 WeakPolarHBondContact CG2-O 3.32Å; S254-T335 PolarHBondContact N-O 2.84Å; S254-T335 PolarHBondContact OG-O 3.08Å; K255-T335 PolarHBondContact O-N 2.99Å
336	D	80.9	Confident	67.7	Low	66 Å²	66	82.7 Å²	82.7	35%	0.353	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	139.6	179.2	-170.7	-12.5	0	0	0	110.8	I253 S338	I253-D336 HydrophobicContact CD1-CB 4.34Å; D336-S338 VanDerWaalsContact C-N 3.32Å; D336-S338 VanDerWaalsContact OD1-CB 3.28Å; D336-S338 WeakPolarHBondContact OD1-CB 2.99Å; D336-S338 PolarHBondContact OD1-N 3.27Å; D336-S338 PolarHBondContact OD1-OG 3Å; D336-S338 PolarHBondContact OD2-OG 3.23Å
337	C	73.6	Confident	65	Low	32 Å²	32	87 Å²	87	22%	0.216	47%	0.471	C	S	.	.	S	Bend	trans	-72.6	-19.3	172.2	-68.2	0	0	0	0	114.2	Y252 C405	Y252-C337 VanDerWaalsContact C-SG 3.53Å; Y252-C337 WeakPolarHBondContact O-CB 3.32Å; Y252-C337 PolarHBondContact O-N 2.98Å; Y252-C337 PolarHBondContact O-SG 3.38Å; C337-C405 VanDerWaalsContact CA-SG 3.52Å; C337-C405 HydrophobicContact CB-CB 3.29Å; C337-C405 WeakPolarHBondContact CB-SG 3.48Å; C337-C405 WeakPolarHBondContact SG-CB 3.33Å; C337-C405 CovalentContact SG-SG 2Å; C337-C405 PolarHBondContact SG-SG 3.12Å
338	S	60.3	Low	62.1	Low	80 Å²	80	92.2 Å²	92.2	56%	0.559	50%	0.497	S	S	*	.	S	Bend	trans	-83.8	-21.1	-167.8	74.9	0	0	0	0	114.7	D336 P340	D336-S338 VanDerWaalsContact C-N 3.32Å; D336-S338 VanDerWaalsContact OD1-CB 3.28Å; D336-S338 WeakPolarHBondContact OD1-CB 2.99Å; D336-S338 PolarHBondContact OD1-N 3.27Å; D336-S338 PolarHBondContact OD1-OG 3Å; D336-S338 PolarHBondContact OD2-OG 3.23Å; S338-P340 WeakPolarHBondContact O-CD 3.5Å
339	K	51.4	Low	59.3	Low	166 Å²	166	97.2 Å²	97.2	72%	0.722	53%	0.533	S	S	*	.	S	Bend	trans	-99.7	107.7	-179	-67.2	-175.5	-178	178.6	0	109.9	S341	K339-S341 PolarHBondContact O-N 3.36Å
340	P	46.7	Very low	56.4	Low	118 Å²	118	97.1 Å²	97.1	77%	0.766	55%	0.546	S	S	*	.			trans	-60.2	128.4	164.8	25.6	-29.8	0	0	0	107.2	S338 S342	S338-P340 WeakPolarHBondContact O-CD 3.5Å; P340-S342 PolarHBondContact O-N 3.37Å; P340-S342 VanDerWaalsContact O-N 3.14Å
341	S	39	Very low	53.6	Low	99 Å²	99	101.9 Å²	101.9	69%	0.692	58%	0.58	S	S	*	*			trans	-46.6	125.9	169.4	52.3	0	0	0	0	107.8	K339 S343	K339-S341 PolarHBondContact O-N 3.36Å; S341-S343 PolarHBondContact O-N 2.98Å
342	S	34.9	Very low	50.8	Low	129 Å²	129	106 Å²	106	90%	0.902	61%	0.608	S	S	*	*			trans	-66.7	72.3	177.7	60.9	0	0	0	0	110.3	P340	P340-S342 PolarHBondContact O-N 3.37Å; P340-S342 VanDerWaalsContact O-N 3.14Å
343	S	34	Very low	48	Very low	85 Å²	85	110.8 Å²	110.8	59%	0.594	63%	0.631	S	S	*	*			trans	-96	119.9	158.4	51.1	0	0	0	0	106.4	S341 D345	S341-S343 PolarHBondContact O-N 2.98Å; S343-D345 PolarHBondContact O-N 3.45Å
344	K	36.2	Very low	45.4	Very low	211 Å²	211	113.7 Å²	113.7	92%	0.917	65%	0.65	S	S	*	*			trans	-63.6	84.2	172.8	-73.6	174.2	174.5	174.7	0	108.7
345	D	31.2	Very low	42.6	Very low	142 Å²	142	118.8 Å²	118.8	76%	0.759	67%	0.672	S	S	*	*			trans	-134.2	117.4	156.9	-88.3	-39.7	0	0	0	108.2	S343 A347	S343-D345 PolarHBondContact O-N 3.45Å; D345-A347 PolarHBondContact O-N 3.4Å
346	R	33.6	Very low	39.7	Very low	253 Å²	253	120 Å²	120	96%	0.955	68%	0.68	S	S	*	*			trans	-73.2	68.4	179.8	-166.4	167.4	-177.7	162.5	-1.8	108.5	Q348	R346-Q348 PolarHBondContact O-N 2.88Å
347	A	30.1	Very low	37.5	Very low	91 Å²	91	125.7 Å²	125.7	75%	0.752	71%	0.705	S	S	*	*			trans	-73.7	113.9	167	0	0	0	0	0	107.8	D345 S349	D345-A347 PolarHBondContact O-N 3.4Å; A347-S349 PolarHBondContact O-N 3.02Å
348	Q	27.5	Very low	35.5	Very low	181 Å²	181	128.5 Å²	128.5	85%	0.846	73%	0.725	S	S	*	*			trans	-48	132.6	173.4	-76	167.4	-22	0	0	110.4	R346 S350	R346-Q348 PolarHBondContact O-N 2.88Å; Q348-S350 VanDerWaalsContact C-N 3.29Å; Q348-S350 PolarHBondContact O-N 3.27Å
349	S	31.1	Very low	34.1	Very low	110 Å²	110	133.4 Å²	133.4	77%	0.769	74%	0.737	S	S	*	*			trans	-60.7	88.1	167.9	52.3	0	0	0	0	109.9	A347 S351	A347-S349 PolarHBondContact O-N 3.02Å; S349-S351 PolarHBondContact O-N 3.16Å
350	S	29.3	Very low	33.1	Very low	87 Å²	87	129 Å²	129	61%	0.608	74%	0.738	S	S	*	*			trans	-78.4	69.7	160.2	55.4	0	0	0	0	108.9	Q348 S352	Q348-S350 VanDerWaalsContact C-N 3.29Å; Q348-S350 PolarHBondContact O-N 3.27Å; S350-S352 PolarHBondContact O-N 3.29Å
351	S	33.8	Very low	32.4	Very low	101 Å²	101	130.4 Å²	130.4	71%	0.706	75%	0.745	S	S	*	*			trans	-71.1	68.5	155.2	55.3	0	0	0	0	108.3	S349	S349-S351 PolarHBondContact O-N 3.16Å
352	S	34.3	Very low	31.8	Very low	88 Å²	88	130.2 Å²	130.2	62%	0.615	75%	0.75	S	S	*	*			trans	-103.3	86.2	163.6	61.7	0	0	0	0	107.8	S350	S350-S352 PolarHBondContact O-N 3.29Å
353	M	34.7	Very low	31.5	Very low	102 Å²	102	132.2 Å²	132.2	50%	0.502	75%	0.747	S	S	.	*	S	Bend	trans	-172.6	83.6	149.8	-101.7	172.2	-89.4	0	0	108	M355	M353-M355 PolarHBondContact O-N 2.86Å
354	N	35.5	Very low	31.1	Very low	138 Å²	138	131.6 Å²	131.6	74%	0.738	75%	0.754	S	S	*	*			trans	40.2	36.1	155.1	-75.4	-11.9	0	0	0	120.7	F427	N354-F427 HydrophobicContact CB-CD1 3.95Å; N354-F427 HydrophobicContact CB-CE1 3.69Å; N354-F427 HydrophobicContact CB-CZ 4.32Å; N354-F427 WeakPolarHBondContact O-CE1 3.3Å; N354-F427 WeakPolarHBondContact O-CZ 3.38Å
355	M	29.8	Very low	30.5	Very low	155 Å²	155	130.5 Å²	130.5	76%	0.764	75%	0.749	S	S	*	*			trans	-90.9	124.4	161.8	-149.1	170.3	-171.4	0	0	109.2	M353 Q357	M353-M355 PolarHBondContact O-N 2.86Å; M355-Q357 PolarHBondContact O-N 3.13Å
356	P	26.5	Very low	30.1	Very low	85 Å²	85	127.4 Å²	127.4	55%	0.552	74%	0.739	S	S	*	*			trans	-63.6	131.6	165.8	24.2	-28	0	0	0	108.4	S358	P356-S358 PolarHBondContact O-N 2.98Å
357	Q	34.9	Very low	29.9	Very low	187 Å²	187	123.8 Å²	123.8	87%	0.874	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-65.8	12.7	-173.9	-70.7	-177.9	-30.7	0	0	115	M355	M355-Q357 PolarHBondContact O-N 3.13Å
358	S	31.2	Very low	29.9	Very low	91 Å²	91	123.9 Å²	123.9	64%	0.636	73%	0.733	S	S	*	*	G	3₁₀ helix	trans	-96.3	7.1	-168.9	51.5	0	0	0	0	116.2	P356	P356-S358 PolarHBondContact O-N 2.98Å
359	F	29.3	Very low	30	Very low	183 Å²	183	122.1 Å²	122.1	80%	0.803	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-126.8	13.6	177.5	-89.2	-86.3	0	0	0	114.8	T361	F359-T361 PolarHBondContact O-N 2.62Å
360	G	30.8	Very low	30	Very low	73 Å²	73	123.1 Å²	123.1	75%	0.753	73%	0.731	S	S	*	*			trans	-89.5	17.8	-176.9	0	0	0	0	0	116.3
361	T	32.3	Very low	30.1	Very low	147 Å²	147	126.9 Å²	126.9	90%	0.902	74%	0.743	S	S	*	*			trans	-133.3	73.3	174.9	7.4	0	0	0	0	109.7	F359	F359-T361 PolarHBondContact O-N 2.62Å
362	A	26.5	Very low	29.7	Very low	96 Å²	96	130.8 Å²	130.8	79%	0.793	76%	0.755	S	S	*	*			trans	-110.9	124.7	163.2	0	0	0	0	0	108.3	G364	A362-G364 PolarHBondContact O-N 2.88Å
363	M	28.2	Very low	29.2	Very low	170 Å²	170	135.8 Å²	135.8	84%	0.837	77%	0.771	S	S	*	*			trans	-49.5	113	-172.4	-64.5	-167.9	-76.7	0	0	113.4
364	G	26.2	Very low	28.8	Very low	72 Å²	72	135.4 Å²	135.4	74%	0.742	78%	0.784	S	S	*	*			trans	-83.4	107.4	156.3	0	0	0	0	0	108.8	A362 S366	A362-G364 PolarHBondContact O-N 2.88Å; G364-S366 PolarHBondContact O-N 2.94Å
365	F	23	Very low	28.3	Very low	188 Å²	188	134.8 Å²	134.8	83%	0.825	79%	0.791	S	S	*	*			trans	-63.3	102.5	163	-92.2	-91.4	0	0	0	108.2
366	S	23.4	Very low	28.1	Very low	77 Å²	77	135.7 Å²	135.7	54%	0.538	80%	0.798	S	S	.	*			trans	-78.3	113.6	167.7	178.8	0	0	0	0	108.4	G364 S368	G364-S366 PolarHBondContact O-N 2.94Å; S366-S368 PolarHBondContact O-N 3.1Å; S366-S368 VanDerWaalsContact O-N 3.11Å
367	L	29.9	Very low	28.2	Very low	178 Å²	178	137.2 Å²	137.2	93%	0.932	81%	0.807	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	48.9	177.5	-144.6	124.2	0	0	0	111
368	S	30	Very low	27.7	Very low	93 Å²	93	131.5 Å²	131.5	65%	0.65	80%	0.799	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.7	-4.1	-175.5	-43.7	0	0	0	0	115.4	S366	S366-S368 PolarHBondContact O-N 3.1Å; S366-S368 VanDerWaalsContact O-N 3.11Å
369	D	29.3	Very low	27.4	Very low	144 Å²	144	135.5 Å²	135.5	77%	0.77	81%	0.812	S	S	*	*			trans	-108.1	65	-177.3	-70.1	-31.9	0	0	0	111.4
370	T	31.5	Very low	27.3	Very low	131 Å²	131	131 Å²	131	80%	0.804	81%	0.809	S	S	*	*	S	Bend	trans	-134.5	128	149.2	2.9	0	0	0	0	106.5
371	L	30.3	Very low	27.1	Very low	166 Å²	166	135.7 Å²	135.7	87%	0.869	81%	0.811	S	S	*	*	S	Bend	trans	90	84.1	-170.7	-50.7	169.3	0	0	0	113.6
372	L	26	Very low	26.7	Very low	182 Å²	182	135.6 Å²	135.6	95%	0.953	81%	0.805	S	S	*	*				-175.7	93.7	121.1	-92	165.8	0	0	0	108.9
373	M	23.5	Very low	26.6	Very low	193 Å²	193	136 Å²	136	95%	0.951	81%	0.809	S	S	*	*			trans	-105.4	108	164.5	-87	-76.8	170	0	0	107.7
374	A	26.3	Very low	26.4	Very low	95 Å²	95	133.4 Å²	133.4	79%	0.785	81%	0.807	S	S	*	*			trans	176.8	102.2	147.3	0	0	0	0	0	111
375	S	25.9	Very low	26.3	Very low	125 Å²	125	138.5 Å²	138.5	87%	0.874	81%	0.811	S	S	*	*				-179	135	129.2	39.9	0	0	0	0	111.3
376	L	25.4	Very low	26.3	Very low	173 Å²	173	137 Å²	137	91%	0.906	81%	0.811	S	S	*	*			trans	-79.3	169.4	178.5	-107.8	95.1	0	0	0	112.4
377	P	28.5	Very low	26.3	Very low	117 Å²	117	141 Å²	141	76%	0.76	82%	0.821	S	S	*	*			trans	-107.2	165.1	-147.1	39.9	-34.9	0	0	0	116.2
378	G	23.6	Very low	25.9	Very low	67 Å²	67	139.1 Å²	139.1	69%	0.691	82%	0.817	S	S	*	*			trans	111.8	115.3	136.8	0	0	0	0	0	117
379	L	25.8	Very low	25.6	Very low	175 Å²	175	140.2 Å²	140.2	92%	0.916	82%	0.824	S	S	*	*				-166.9	127.1	125.9	-131.6	72.8	0	0	0	111.1
380	A	27.6	Very low	25.4	Very low	89 Å²	89	142.4 Å²	142.4	74%	0.736	83%	0.83	S	S	*	*			trans	-83.7	151.5	172.9	0	0	0	0	0	111.1
381	Q	25.8	Very low	25.1	Very low	172 Å²	172	143.3 Å²	143.3	80%	0.804	83%	0.83	S	S	*	*			trans	162.7	151.6	153.7	-96.6	167.6	16.7	0	0	108.5
382	N	23.2	Very low	24.8	Very low	144 Å²	144	140.5 Å²	140.5	77%	0.77	82%	0.824	S	S	*	*			cis	-159.8	136.7	-24.1	-121.9	-6.2	0	0	0	103.3
383	A	25.2	Very low	24.8	Very low	105 Å²	105	138.5 Å²	138.5	87%	0.868	81%	0.813	S	S	*	*			trans	-78	134.1	171.3	0	0	0	0	0	110.2
384	S	23.3	Very low	24.8	Very low	115 Å²	115	135.9 Å²	135.9	80%	0.804	80%	0.802	S	S	*	*			trans	-143.4	125.6	157.6	57	0	0	0	0	110.4
385	H	24.5	Very low	24.7	Very low	179 Å²	179	141.8 Å²	141.8	83%	0.829	81%	0.805	S	S	*	*			trans	-39.4	150.4	172.7	-77.8	-115.8	0	0	0	115.4
386	L	23.2	Very low	24.7	Very low	157 Å²	157	143.1 Å²	143.1	82%	0.822	80%	0.802	S	S	*	*				-164.6	128.8	123	-127.6	83.3	0	0	0	114.7
387	H	23.5	Very low	24.6	Very low	162 Å²	162	139 Å²	139	75%	0.75	79%	0.793	S	S	*	*			trans	39.3	121.4	151.2	-65.9	-58.2	0	0	0	124
388	T	22.3	Very low	24.7	Very low	138 Å²	138	139.5 Å²	139.5	85%	0.847	80%	0.796	S	S	*	*			trans	-62.9	130.7	154.6	44.7	0	0	0	0	112.8
389	S	22	Very low	24.9	Very low	115 Å²	115	142.6 Å²	142.6	80%	0.804	80%	0.801	S	S	*	*			trans	-139	133.3	149.8	57.4	0	0	0	0	108.9
390	E	26.8	Very low	25.4	Very low	190 Å²	190	138.6 Å²	138.6	89%	0.888	79%	0.794	S	S	*	*			trans	-57.5	130.9	179.1	-63	170.2	138.8	0	0	111.1
391	D	23.9	Very low	26	Very low	151 Å²	151	138.7 Å²	138.7	81%	0.807	78%	0.782	S	S	*	*			trans	-150.4	136	153.7	-97.2	-32.4	0	0	0	110.4	I393	D391-I393 PolarHBondContact O-N 3.08Å
392	S	24.9	Very low	26.9	Very low	106 Å²	106	136.1 Å²	136.1	74%	0.741	78%	0.778	S	S	*	*			trans	-52.7	120.2	-173.7	49.7	0	0	0	0	114.5	I394	S392-I394 PolarHBondContact O-N 2.99Å
393	I	25.3	Very low	28.1	Very low	141 Å²	141	134.8 Å²	134.8	72%	0.723	77%	0.771	S	S	*	*			trans	-86.6	103.7	170.7	-60.2	-175.6	0	0	0	109.5	D391 Y395	D391-I393 PolarHBondContact O-N 3.08Å; I393-Y395 PolarHBondContact O-N 3.39Å
394	I	23.4	Very low	29.7	Very low	138 Å²	138	136.1 Å²	136.1	71%	0.708	76%	0.757	S	S	*	*			trans	-65.1	114.1	160	-63.3	170.1	0	0	0	106.9	S392 L396	S392-I394 PolarHBondContact O-N 2.99Å; I394-L396 VanDerWaalsContact C-N 3.29Å; I394-L396 HydrophobicContact CG2-CG 4.41Å; I394-L396 PolarHBondContact O-N 3.43Å
395	Y	23.9	Very low	31.8	Very low	218 Å²	218	132.4 Å²	132.4	86%	0.855	73%	0.731	S	S	*	*			trans	-71	87.3	170.2	-78.1	-88.1	0	0	0	109.3	I393 A397	I393-Y395 PolarHBondContact O-N 3.39Å; Y395-A397 PolarHBondContact O-N 2.94Å
396	L	26.3	Very low	34.1	Very low	154 Å²	154	127.6 Å²	127.6	81%	0.806	71%	0.705	S	S	*	*			trans	-66.5	115.4	158.4	-81.5	155.4	0	0	0	107.3	I394	I394-L396 VanDerWaalsContact C-N 3.29Å; I394-L396 HydrophobicContact CG2-CG 4.41Å; I394-L396 PolarHBondContact O-N 3.43Å
397	A	24.6	Very low	36.6	Very low	87 Å²	87	124.6 Å²	124.6	72%	0.719	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-52.2	130.3	173.6	0	0	0	0	0	109.9	Y395 T399	Y395-A397 PolarHBondContact O-N 2.94Å; A397-T399 PolarHBondContact O-N 3.38Å
398	P	30.1	Very low	39.4	Very low	126 Å²	126	118.5 Å²	118.5	82%	0.818	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-67.8	120.1	167.7	-4.5	19.6	0	0	0	107.3
399	T	28.1	Very low	42.3	Very low	132 Å²	132	115 Å²	115	81%	0.81	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-54.2	139	165.6	46.2	0	0	0	0	109.1	A397 D401	A397-T399 PolarHBondContact O-N 3.38Å; T399-D401 PolarHBondContact O-N 2.9Å
400	A	35.3	Very low	45.2	Very low	92 Å²	92	114.4 Å²	114.4	76%	0.76	63%	0.633	S	S	*	*			trans	-55.1	107.6	-175.7	0	0	0	0	0	111	T402	A400-T402 PolarHBondContact O-N 2.88Å; A400-T402 VanDerWaalsContact O-N 3.11Å
401	D	40.9	Very low	48.1	Very low	90 Å²	90	106.6 Å²	106.6	48%	0.481	60%	0.598	S	S	.	*			trans	-64.2	110.1	177.4	-122.1	-24.1	0	0	0	109.2	T399 N403 K404	T399-D401 PolarHBondContact O-N 2.9Å; D401-N403 PolarHBondContact O-N 3.39Å; D401-K404 HydrophobicContact CB-CD 3.77Å; D401-K404 HydrophobicContact CB-CG 4.09Å; D401-K404 PolarHBondContact O-N 3.2Å; D401-K404 WeakPolarHBondContact OD2-CE 3.21Å; D401-K404 IonicContact OD2-NZ 2.81Å; D401-K404 PolarHBondContact OD2-NZ 2.95Å
402	T	44.2	Very low	51.2	Low	118 Å²	118	103.8 Å²	103.8	72%	0.724	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	-6	-177.1	48.5	0	0	0	0	114	A400	A400-T402 PolarHBondContact O-N 2.88Å; A400-T402 VanDerWaalsContact O-N 3.11Å
403	N	49	Very low	54.3	Low	117 Å²	117	102 Å²	102	63%	0.626	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.5	2.1	-175.9	-68.1	-25.3	0	0	0	114.3	D401	D401-N403 PolarHBondContact O-N 3.39Å
404	K	57.1	Low	57.4	Low	133 Å²	133	98.5 Å²	98.5	58%	0.578	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-97	120.1	-177.6	-77.9	174.1	178.1	144.9	0	111.9	D401	D401-K404 HydrophobicContact CB-CD 3.77Å; D401-K404 HydrophobicContact CB-CG 4.09Å; D401-K404 PolarHBondContact O-N 3.2Å; D401-K404 WeakPolarHBondContact OD2-CE 3.21Å; D401-K404 IonicContact OD2-NZ 2.81Å; D401-K404 PolarHBondContact OD2-NZ 2.95Å
405	C	68.1	Low	60.5	Low	37 Å²	37	97.7 Å²	97.7	25%	0.25	54%	0.535	C	S	.	.	P	Polyproline II helix	trans	-83	142.5	169.6	-54.5	0	0	0	0	110.8	S254 C337	S254-C405 VanDerWaalsContact CB-SG 3.56Å; C337-C405 VanDerWaalsContact CA-SG 3.52Å; C337-C405 HydrophobicContact CB-CB 3.29Å; C337-C405 WeakPolarHBondContact CB-SG 3.48Å; C337-C405 WeakPolarHBondContact SG-CB 3.33Å; C337-C405 CovalentContact SG-SG 2Å; C337-C405 PolarHBondContact SG-SG 3.12Å
406	W	72.8	Confident	63.4	Low	78 Å²	78	92.2 Å²	92.2	30%	0.295	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-82.5	141.3	178.3	-58.1	105.9	0	0	0	111	I408 D436 R437 A438 V440 F484	W406-I408 PolarHBondContact O-N 3.36Å; W406-D436 WeakPolarHBondContact CH2-O 3.28Å; W406-R437 HydrophobicContact CE3-CB 3.81Å; W406-R437 HydrophobicContact CE3-CG 4.37Å; W406-R437 HydrophobicContact CH2-CB 3.99Å; W406-R437 HydrophobicContact CH2-CG 4.16Å; W406-R437 HydrophobicContact CZ3-CB 3.39Å; W406-R437 HydrophobicContact CZ3-CG 3.57Å; W406-A438 HydrophobicContact CD2-CB 4.09Å; W406-A438 HydrophobicContact CG-CB 3.92Å; W406-V440 HydrophobicContact CB-CG2 3.8Å; W406-F484 HydrophobicContact CB-CE1 4.27Å; W406-F484 AromaticContact CD1-CD1 3.6Å; W406-F484 AromaticContact CD1-CE1 3.42Å; W406-F484 VanDerWaalsContact CD1-CE1 3.42Å; W406-F484 AromaticContact CD1-CZ 3.96Å; W406-F484 HydrophobicContact CG-CE1 4.22Å
407	P	77.1	Confident	66.2	Low	93 Å²	93	90.6 Å²	90.6	60%	0.604	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-64.2	132.4	177.5	26.9	-33.6	0	0	0	110.5
408	I	80.9	Confident	68.9	Low	34 Å²	34	89.6 Å²	89.6	17%	0.174	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	123.6	179.6	-51.9	178.6	0	0	0	109	Y252 W309 W406 V440 A442 Y525	Y252-I408 HydrophobicContact CD1-CD1 4.04Å; Y252-I408 HydrophobicContact CE1-CD1 3.57Å; Y252-I408 HydrophobicContact CE1-CG1 4.16Å; W309-I408 HydrophobicContact CH2-CD1 3.55Å; W309-I408 HydrophobicContact CZ3-CD1 3.42Å; W309-I408 VanDerWaalsContact CZ3-CD1 3.42Å; W406-I408 PolarHBondContact O-N 3.36Å; I408-V440 HydrophobicContact CG1-CG1 4.21Å; I408-V440 HydrophobicContact CG2-CG1 4.3Å; I408-A442 HydrophobicContact CG2-CB 3.82Å; I408-Y525 HydrophobicContact CD1-CD1 4.36Å; I408-Y525 HydrophobicContact CD1-CE1 3.85Å; I408-Y525 HydrophobicContact CG2-CD1 4.23Å; I408-Y525 HydrophobicContact CG2-CE1 4.06Å
409	R	83.9	Confident	71.5	Confident	64 Å²	64	83.8 Å²	83.8	24%	0.242	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	121.4	176.5	-62.4	173.6	-178.7	155.1	-3.3	109	V440 F441 A442	R409-V440 WeakPolarHBondContact CB-O 3.36Å; R409-V440 PolarHBondContact N-O 3.04Å; R409-F441 HydrophobicContact CB-CD1 3.86Å; R409-F441 HydrophobicContact CB-CE1 3.96Å; R409-F441 HydrophobicContact CG-CE1 4.44Å; R409-F441 WeakPolarHBondContact O-CA 3.46Å; R409-A442 PolarHBondContact O-N 3.2Å; R409-A442 VanDerWaalsContact O-N 3.09Å
410	P	81.8	Confident	74.4	Confident	104 Å²	104	78.8 Å²	78.8	68%	0.675	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.3	148.8	174.8	29.3	-33.6	0	0	0	110.4
411	T	88.6	Confident	77.1	Confident	25 Å²	25	74.5 Å²	74.5	15%	0.153	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	142.9	168.7	60.7	0	0	0	0	110.1	Y424 V425 F441 A442 I443	T411-Y424 CarbonylContact C-O 3.56Å; T411-Y424 WeakPolarHBondContact CA-O 3.37Å; T411-V425 HydrophobicContact CG2-CG2 4.46Å; T411-F441 HydrophobicContact CG2-CB 4.35Å; T411-A442 WeakPolarHBondContact CB-O 3.41Å; T411-A442 WeakPolarHBondContact CG2-O 3.4Å; T411-A442 PolarHBondContact N-O 3.22Å; T411-A442 PolarHBondContact OG1-O 2.93Å; T411-I443 HydrophobicContact CG2-CG1 4.39Å
412	L	88.8	Confident	79.6	Confident	93 Å²	93	71.5 Å²	71.5	49%	0.487	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	132.9	169.6	-69.7	170.4	0	0	0	108.9	F423 Y424 F426	L412-F423 CarbonylContact O-C 3.59Å; L412-F423 VanDerWaalsContact O-CA 3.32Å; L412-F423 WeakPolarHBondContact O-CA 3.46Å; L412-Y424 PolarHBondContact N-O 3.43Å; L412-Y424 PolarHBondContact O-N 3.46Å; L412-F426 HydrophobicContact CD1-CD2 3.91Å; L412-F426 HydrophobicContact CG-CD2 4.48Å
413	R	90.5	Very high	81.9	Confident	69 Å²	69	66.5 Å²	66.5	26%	0.26	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	118.9	178.2	-170.8	171.7	178.9	-73.8	-1.3	109.1	E415 V421 F423 M446 D450	R413-E415 IonicContact CZ-OE1 2.66Å; R413-E415 VanDerWaalsContact NH1-CD 3.25Å; R413-E415 IonicContact NH1-OE1 2.71Å; R413-E415 PolarHBondContact NH1-OE1 3.25Å; R413-E415 IonicContact NH2-OE1 3.42Å; R413-V421 HydrophobicContact CG-CG1 3.51Å; R413-F423 HydrophobicContact CB-CD1 4.34Å; R413-F423 HydrophobicContact CB-CE1 4.28Å; R413-F423 HydrophobicContact CG-CD1 4.2Å; R413-F423 HydrophobicContact CG-CE1 3.73Å; R413-M446 VanDerWaalsContact NH2-CE 3.3Å; R413-D450 IonicContact CZ-OD2 2.64Å; R413-D450 IonicContact NE-OD2 2.77Å; R413-D450 IonicContact NH2-OD1 3.44Å; R413-D450 PolarHBondContact NH2-OD1 3.43Å; R413-D450 IonicContact NH2-OD2 2.79Å; R413-D450 PolarHBondContact NH2-OD2 3.47Å
414	N	90.3	Very high	83.7	Confident	67 Å²	67	65.9 Å²	65.9	36%	0.358	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	111.8	176.6	-173.3	34.4	0	0	0	110	V421 H422 Y424	N414-V421 WeakPolarHBondContact O-CA 2.97Å; N414-H422 HydrophobicContact CB-CB 4.5Å; N414-H422 PolarHBondContact N-O 3.05Å; N414-H422 PolarHBondContact O-N 2.84Å; N414-Y424 HydrophobicContact CB-CD2 3.99Å; N414-Y424 HydrophobicContact CB-CE2 3.58Å
415	E	88.8	Confident	85	Confident	121 Å²	121	60.3 Å²	60.3	57%	0.565	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	124.2	176.6	-64.8	-179.3	171.1	0	0	109.6	R413 M446	R413-E415 IonicContact CZ-OE1 2.66Å; R413-E415 VanDerWaalsContact NH1-CD 3.25Å; R413-E415 IonicContact NH1-OE1 2.71Å; R413-E415 PolarHBondContact NH1-OE1 3.25Å; R413-E415 IonicContact NH2-OE1 3.42Å; E415-M446 WeakPolarHBondContact OE1-CE 3.36Å
416	L	85.3	Confident	85.1	Confident	102 Å²	102	65.3 Å²	65.3	53%	0.534	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-47.8	174.7	-61.4	176.5	0	0	0	110.8	S420 H422	L416-S420 PolarHBondContact N-O 3.37Å; L416-H422 VanDerWaalsContact CD1-ND1 3.25Å; L416-H422 WeakPolarHBondContact CD1-ND1 3.04Å
417	D	84.6	Confident	84.9	Confident	121 Å²	121	66.8 Å²	66.8	65%	0.647	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-159.4	-179.1	-179.5	-161.1	-1.7	0	0	0	110.3	F419 S420	D417-F419 PolarHBondContact O-N 3.35Å; D417-S420 PolarHBondContact N-O 3.35Å; D417-S420 PolarHBondContact O-N 2.95Å
418	T	81.1	Confident	84.8	Confident	65 Å²	65	63.7 Å²	63.7	40%	0.399	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	122.6	175.3	-50.4	0	0	0	0	110.6	S420 L569	T418-S420 PolarHBondContact O-N 2.96Å; T418-S420 VanDerWaalsContact O-N 3.15Å; T418-L569 HydrophobicContact CG2-CD2 4.43Å
419	F	83.7	Confident	84.6	Confident	5 Å²	5	64.6 Å²	64.6	2%	0.022	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	17.3	-172	-51.8	-61.4	0	0	0	115.4	D417 L449 G452 L554 T555 P556 L569 L576 A578	D417-F419 PolarHBondContact O-N 3.35Å; F419-L449 WeakPolarHBondContact CD1-O 3.31Å; F419-L449 WeakPolarHBondContact CE1-O 3.29Å; F419-G452 VanDerWaalsContact CE1-CA 3.43Å; F419-L554 HydrophobicContact CB-CD2 4.32Å; F419-L554 CarbonylContact O-C 3.56Å; F419-L554 VanDerWaalsContact O-C 3.22Å; F419-L554 WeakPolarHBondContact O-CG 3.31Å; F419-T555 CarbonylContact O-C 3.6Å; F419-T555 VanDerWaalsContact O-CA 3.25Å; F419-T555 WeakPolarHBondContact O-CA 3.31Å; F419-T555 PolarHBondContact O-N 3.42Å; F419-P556 HydrophobicContact CB-CB 4.03Å; F419-P556 HydrophobicContact CB-CG 4.01Å; F419-P556 HydrophobicContact CD2-CB 4.47Å; F419-L569 HydrophobicContact CD2-CD2 3.54Å; F419-L569 HydrophobicContact CE2-CD2 3.57Å; F419-L576 HydrophobicContact CE2-CB 4.16Å; F419-L576 HydrophobicContact CE2-CD2 4.47Å; F419-L576 HydrophobicContact CZ-CB 3.74Å; F419-L576 WeakPolarHBondContact CZ-O 3.46Å; F419-A578 HydrophobicContact CD2-CB 4.08Å; F419-A578 HydrophobicContact CE2-CB 4.37Å
420	S	90.2	Very high	84.6	Confident	27 Å²	27	66 Å²	66	19%	0.189	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	97.9	178.6	-174.6	0	0	0	0	110.1	L416 D417 T418 L554	L416-S420 PolarHBondContact N-O 3.37Å; D417-S420 PolarHBondContact N-O 3.35Å; D417-S420 PolarHBondContact O-N 2.95Å; T418-S420 PolarHBondContact O-N 2.96Å; T418-S420 VanDerWaalsContact O-N 3.15Å; S420-L554 WeakPolarHBondContact CA-O 3.29Å
421	V	92.2	Very high	84.8	Confident	2 Å²	2	61.4 Å²	61.4	1%	0.012	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	133.3	-172.9	-177.7	0	0	0	0	109	R413 N414 F423 Y553 L554	R413-V421 HydrophobicContact CG-CG1 3.51Å; N414-V421 WeakPolarHBondContact O-CA 2.97Å; V421-F423 HydrophobicContact CB-CE2 4.45Å; V421-F423 HydrophobicContact CB-CZ 4.39Å; V421-F423 HydrophobicContact CG1-CE1 4.04Å; V421-F423 HydrophobicContact CG1-CE2 4.08Å; V421-F423 HydrophobicContact CG1-CZ 3.72Å; V421-Y553 CarbonylContact O-C 3.57Å; V421-Y553 WeakPolarHBondContact O-CA 2.96Å; V421-Y553 WeakPolarHBondContact O-CB 3.35Å; V421-L554 HydrophobicContact CB-CB 4.05Å; V421-L554 HydrophobicContact CG2-CD2 4.35Å; V421-L554 PolarHBondContact N-O 3.28Å; V421-L554 PolarHBondContact O-N 3.4Å
422	H	92.3	Very high	84.6	Confident	27 Å²	27	62.7 Å²	62.7	13%	0.125	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	134.6	173.4	-76	68.4	0	0	0	110.5	N414 L416 Y424	N414-H422 HydrophobicContact CB-CB 4.5Å; N414-H422 PolarHBondContact N-O 3.05Å; N414-H422 PolarHBondContact O-N 2.84Å; L416-H422 VanDerWaalsContact CD1-ND1 3.25Å; L416-H422 WeakPolarHBondContact CD1-ND1 3.04Å; H422-Y424 HydrophobicContact CB-CD2 4.4Å; H422-Y424 HydrophobicContact CB-CE1 4.35Å; H422-Y424 HydrophobicContact CB-CE2 3.61Å; H422-Y424 WeakPolarHBondContact CB-OH 3.09Å
423	F	92	Very high	84.4	Confident	12 Å²	12	58.2 Å²	58.2	5%	0.053	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	117.4	175.9	-57.4	-82.7	0	0	0	109.5	L412 R413 V421 I443 N444 L445 L455 A552	L412-F423 CarbonylContact O-C 3.59Å; L412-F423 VanDerWaalsContact O-CA 3.32Å; L412-F423 WeakPolarHBondContact O-CA 3.46Å; R413-F423 HydrophobicContact CB-CD1 4.34Å; R413-F423 HydrophobicContact CB-CE1 4.28Å; R413-F423 HydrophobicContact CG-CD1 4.2Å; R413-F423 HydrophobicContact CG-CE1 3.73Å; V421-F423 HydrophobicContact CB-CE2 4.45Å; V421-F423 HydrophobicContact CB-CZ 4.39Å; V421-F423 HydrophobicContact CG1-CE1 4.04Å; V421-F423 HydrophobicContact CG1-CE2 4.08Å; V421-F423 HydrophobicContact CG1-CZ 3.72Å; F423-I443 HydrophobicContact CD1-CG2 3.85Å; F423-I443 HydrophobicContact CD2-CG2 3.84Å; F423-I443 HydrophobicContact CE1-CG2 3.85Å; F423-I443 HydrophobicContact CE2-CG2 3.86Å; F423-I443 HydrophobicContact CG-CG2 3.85Å; F423-I443 HydrophobicContact CZ-CG2 3.88Å; F423-N444 WeakPolarHBondContact CE1-O 2.91Å; F423-L445 HydrophobicContact CE2-CD2 4.09Å; F423-L445 HydrophobicContact CZ-CD2 3.65Å; F423-L455 HydrophobicContact CE2-CD1 4.4Å; F423-A552 HydrophobicContact CB-CB 4.05Å; F423-A552 HydrophobicContact CD2-CB 4.23Å; F423-A552 PolarHBondContact N-O 2.82Å
424	Y	87.1	Confident	83.8	Confident	105 Å²	105	56 Å²	56	41%	0.412	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	145	-178.9	-59.3	-74	0	0	0	111.5	T411 L412 N414 H422	T411-Y424 CarbonylContact C-O 3.56Å; T411-Y424 WeakPolarHBondContact CA-O 3.37Å; L412-Y424 PolarHBondContact N-O 3.43Å; L412-Y424 PolarHBondContact O-N 3.46Å; N414-Y424 HydrophobicContact CB-CD2 3.99Å; N414-Y424 HydrophobicContact CB-CE2 3.58Å; H422-Y424 HydrophobicContact CB-CD2 4.4Å; H422-Y424 HydrophobicContact CB-CE1 4.35Å; H422-Y424 HydrophobicContact CB-CE2 3.61Å; H422-Y424 WeakPolarHBondContact CB-OH 3.09Å
425	V	84.3	Confident	83	Confident	16 Å²	16	53.9 Å²	53.9	10%	0.097	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	136.1	166.1	-176.9	0	0	0	0	108.1	T411 F427 G428 I431 F441 M550	T411-V425 HydrophobicContact CG2-CG2 4.46Å; V425-F427 PolarHBondContact O-N 3.37Å; V425-G428 PolarHBondContact O-N 3.02Å; V425-I431 HydrophobicContact CG2-CD1 4.22Å; V425-F441 HydrophobicContact CG1-CD1 4.44Å; V425-F441 HydrophobicContact CG1-CE1 3.87Å; V425-F441 HydrophobicContact CG2-CD1 3.84Å; V425-F441 HydrophobicContact CG2-CE1 3.8Å; V425-M550 HydrophobicContact CG2-SD 3.92Å
426	F	71.4	Confident	82.1	Confident	142 Å²	142	52.8 Å²	52.8	62%	0.623	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-29.2	-174	-168.4	-91	0	0	0	114	L412	L412-F426 HydrophobicContact CD1-CD2 3.91Å; L412-F426 HydrophobicContact CG-CD2 4.48Å
427	F	68.7	Low	81.6	Confident	109 Å²	109	54 Å²	54	48%	0.478	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	12.5	-178.6	-57.9	-61.3	0	0	0	114.5	N354 V425	N354-F427 HydrophobicContact CB-CD1 3.95Å; N354-F427 HydrophobicContact CB-CE1 3.69Å; N354-F427 HydrophobicContact CB-CZ 4.32Å; N354-F427 WeakPolarHBondContact O-CE1 3.3Å; N354-F427 WeakPolarHBondContact O-CZ 3.38Å; V425-F427 PolarHBondContact O-N 3.37Å
428	G	73.8	Confident	81.3	Confident	28 Å²	28	48.8 Å²	48.8	29%	0.289	25%	0.254	S	S	.	.			trans	96	169.7	-174.4	0	0	0	0	0	112.9	V425 N430	V425-G428 PolarHBondContact O-N 3.02Å; G428-N430 VanDerWaalsContact C-N 3.3Å; G428-N430 PolarHBondContact O-N 3.22Å
429	P	76.5	Confident	81.5	Confident	53 Å²	53	45.8 Å²	45.8	34%	0.344	24%	0.235	S	C	.	.	S	Bend	trans	-76.8	-15	-172.8	31.9	-36.8	0	0	0	113.8	Y549 M550	P429-Y549 HydrophobicContact CB-CD2 3.68Å; P429-Y549 HydrophobicContact CB-CE2 3.37Å; P429-Y549 HydrophobicContact CG-CD2 3.83Å; P429-Y549 HydrophobicContact CG-CE2 3.4Å; P429-Y549 WeakPolarHBondContact O-CA 3.25Å; P429-M550 PolarHBondContact O-N 2.79Å
430	N	84.7	Confident	81.6	Confident	92 Å²	92	45.5 Å²	45.5	49%	0.492	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	119.3	175.3	-69.5	-15.9	0	0	0	109.9	G428 Y549	G428-N430 VanDerWaalsContact C-N 3.3Å; G428-N430 PolarHBondContact O-N 3.22Å; N430-Y549 WeakPolarHBondContact OD1-CD2 2.8Å
431	I	86.1	Confident	81.6	Confident	8 Å²	8	44.2 Å²	44.2	4%	0.041	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	123	-177.9	-62.4	155.9	0	0	0	108.8	V425 I433 F441 E547 V548 M550	V425-I431 HydrophobicContact CG2-CD1 4.22Å; I431-I433 HydrophobicContact CG2-CG1 4.1Å; I431-F441 HydrophobicContact CB-CZ 4.34Å; I431-F441 HydrophobicContact CD1-CE1 3.97Å; I431-F441 HydrophobicContact CD1-CE2 3.76Å; I431-F441 HydrophobicContact CD1-CZ 3.44Å; I431-F441 VanDerWaalsContact CD1-CZ 3.44Å; I431-F441 HydrophobicContact CG1-CE1 4.31Å; I431-F441 HydrophobicContact CG1-CZ 3.81Å; I431-F441 HydrophobicContact CG2-CE2 4.1Å; I431-F441 HydrophobicContact CG2-CZ 3.6Å; I431-E547 WeakPolarHBondContact O-CA 3.06Å; I431-V548 PolarHBondContact N-O 3.27Å; I431-V548 PolarHBondContact O-N 3.14Å; I431-M550 HydrophobicContact CD1-CB 3.4Å; I431-M550 HydrophobicContact CD1-CG 4.03Å; I431-M550 HydrophobicContact CD1-SD 3.63Å
432	S	85.1	Confident	81.5	Confident	52 Å²	52	45 Å²	45	36%	0.364	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	119.5	167.2	59.3	0	0	0	0	110.2
433	I	83.9	Confident	81.6	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	113.6	176	-57.2	166.2	0	0	0	107.6	I431 A439 V473 L528 T545 A546 V548	I431-I433 HydrophobicContact CG2-CG1 4.1Å; I433-A439 HydrophobicContact CG1-CB 4.43Å; I433-V473 HydrophobicContact CD1-CG1 3.59Å; I433-V473 HydrophobicContact CD1-CG2 4.42Å; I433-L528 HydrophobicContact CD1-CB 3.73Å; I433-L528 HydrophobicContact CD1-CD1 3.97Å; I433-L528 HydrophobicContact CD1-CG 4.46Å; I433-L528 HydrophobicContact CG1-CB 4.46Å; I433-T545 WeakPolarHBondContact O-CA 3.5Å; I433-A546 PolarHBondContact N-O 2.98Å; I433-A546 PolarHBondContact O-N 3.18Å; I433-V548 HydrophobicContact CD1-CB 4.24Å; I433-V548 HydrophobicContact CD1-CG2 3.79Å
434	P	77.9	Confident	81.5	Confident	21 Å²	21	47.3 Å²	47.3	14%	0.136	25%	0.245	C	C	.	.			trans	-76.9	155.1	177.8	35.2	-36.9	0	0	0	111.2	D436 R437	P434-D436 VanDerWaalsContact C-N 3.29Å; P434-D436 WeakPolarHBondContact CB-OD1 3.06Å; P434-D436 PolarHBondContact O-N 3.04Å; P434-R437 HydrophobicContact CG-CB 3.86Å; P434-R437 HydrophobicContact CG-CG 4.26Å; P434-R437 VanDerWaalsContact O-O 3.12Å
435	P	74.3	Confident	81.7	Confident	23 Å²	23	42.3 Å²	42.3	15%	0.149	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-28.3	-176.5	22.6	-30.7	0	0	0	114.1	C541 V544	P435-C541 HydrophobicContact CB-CB 4.16Å; P435-C541 WeakPolarHBondContact CB-O 3.36Å; P435-V544 WeakPolarHBondContact CD-O 3.49Å
436	D	70.1	Confident	81.9	Confident	99 Å²	99	44.3 Å²	44.3	53%	0.529	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-10.9	-173.8	64.8	-47.4	0	0	0	113.5	W406 P434	W406-D436 WeakPolarHBondContact CH2-O 3.28Å; P434-D436 VanDerWaalsContact C-N 3.29Å; P434-D436 WeakPolarHBondContact CB-OD1 3.06Å; P434-D436 PolarHBondContact O-N 3.04Å
437	R	72.8	Confident	82.2	Confident	127 Å²	127	41.4 Å²	41.4	48%	0.479	23%	0.23	S	C	.	.			trans	-137.9	141.4	-172.9	-43.7	-171.6	-177.1	-175.4	-4.3	113.6	W406 P434	W406-R437 HydrophobicContact CE3-CB 3.81Å; W406-R437 HydrophobicContact CE3-CG 4.37Å; W406-R437 HydrophobicContact CH2-CB 3.99Å; W406-R437 HydrophobicContact CH2-CG 4.16Å; W406-R437 HydrophobicContact CZ3-CB 3.39Å; W406-R437 HydrophobicContact CZ3-CG 3.57Å; P434-R437 HydrophobicContact CG-CB 3.86Å; P434-R437 HydrophobicContact CG-CG 4.26Å; P434-R437 VanDerWaalsContact O-O 3.12Å
438	A	79.4	Confident	82.3	Confident	11 Å²	11	39 Å²	39	9%	0.091	23%	0.225	C	C	.	.			trans	-78.7	142.4	168.2	0	0	0	0	0	110.8	W406 L528	W406-A438 HydrophobicContact CD2-CB 4.09Å; W406-A438 HydrophobicContact CG-CB 3.92Å; A438-L528 CarbonylContact C-O 3.52Å; A438-L528 VanDerWaalsContact CA-O 3.31Å; A438-L528 WeakPolarHBondContact CA-O 3.5Å
439	A	84.8	Confident	82.4	Confident	2 Å²	2	42.6 Å²	42.6	2%	0.017	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	126.7	171.3	0	0	0	0	0	109.5	I433 F441 S527 L528	I433-A439 HydrophobicContact CG1-CB 4.43Å; A439-F441 HydrophobicContact CB-CE2 3.78Å; A439-F441 HydrophobicContact CB-CZ 4.18Å; A439-S527 CarbonylContact O-C 3.24Å; A439-S527 WeakPolarHBondContact O-CA 3.49Å; A439-L528 HydrophobicContact CB-CB 4.48Å; A439-L528 PolarHBondContact N-O 3.44Å; A439-L528 PolarHBondContact O-N 2.86Å
440	V	86.9	Confident	82.9	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	132.4	-178.5	-171	0	0	0	0	110.3	W406 I408 R409 P482 F484 Y525 L526	W406-V440 HydrophobicContact CB-CG2 3.8Å; I408-V440 HydrophobicContact CG1-CG1 4.21Å; I408-V440 HydrophobicContact CG2-CG1 4.3Å; R409-V440 WeakPolarHBondContact CB-O 3.36Å; R409-V440 PolarHBondContact N-O 3.04Å; V440-P482 HydrophobicContact CG1-CB 3.95Å; V440-F484 HydrophobicContact CG2-CE1 3.7Å; V440-F484 HydrophobicContact CG2-CZ 4.45Å; V440-Y525 HydrophobicContact CG1-CD1 4.42Å; V440-L526 CarbonylContact C-O 3.22Å; V440-L526 WeakPolarHBondContact CA-O 3.23Å
441	F	89.7	Confident	83	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	136.7	179.9	-59.6	-84.6	0	0	0	110.8	R409 T411 V425 I431 A439 Y525 L526 L528 M550	R409-F441 HydrophobicContact CB-CD1 3.86Å; R409-F441 HydrophobicContact CB-CE1 3.96Å; R409-F441 HydrophobicContact CG-CE1 4.44Å; R409-F441 WeakPolarHBondContact O-CA 3.46Å; T411-F441 HydrophobicContact CG2-CB 4.35Å; V425-F441 HydrophobicContact CG1-CD1 4.44Å; V425-F441 HydrophobicContact CG1-CE1 3.87Å; V425-F441 HydrophobicContact CG2-CD1 3.84Å; V425-F441 HydrophobicContact CG2-CE1 3.8Å; I431-F441 HydrophobicContact CB-CZ 4.34Å; I431-F441 HydrophobicContact CD1-CE1 3.97Å; I431-F441 HydrophobicContact CD1-CE2 3.76Å; I431-F441 HydrophobicContact CD1-CZ 3.44Å; I431-F441 VanDerWaalsContact CD1-CZ 3.44Å; I431-F441 HydrophobicContact CG1-CE1 4.31Å; I431-F441 HydrophobicContact CG1-CZ 3.81Å; I431-F441 HydrophobicContact CG2-CE2 4.1Å; I431-F441 HydrophobicContact CG2-CZ 3.6Å; A439-F441 HydrophobicContact CB-CE2 3.78Å; A439-F441 HydrophobicContact CB-CZ 4.18Å; F441-Y525 CarbonylContact O-C 3.53Å; F441-Y525 WeakPolarHBondContact O-CA 3.27Å; F441-L526 PolarHBondContact N-O 2.9Å; F441-L526 PolarHBondContact O-N 2.64Å; F441-L528 HydrophobicContact CD2-CD1 4.45Å; F441-L528 HydrophobicContact CE2-CD1 4.07Å; F441-M550 HydrophobicContact CB-CE 3.9Å; F441-M550 HydrophobicContact CD1-SD 4.48Å; F441-M550 HydrophobicContact CD2-CE 4.36Å; F441-M550 HydrophobicContact CD2-SD 4.34Å; F441-M550 HydrophobicContact CG-CE 4.1Å; F441-M550 HydrophobicContact CG-SD 4.21Å
442	A	90.8	Very high	83.2	Confident	18 Å²	18	35.6 Å²	35.6	15%	0.149	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	125.5	175.6	0	0	0	0	0	110.8	I408 R409 T411 T523 W524 Y525	I408-A442 HydrophobicContact CG2-CB 3.82Å; R409-A442 PolarHBondContact O-N 3.2Å; R409-A442 VanDerWaalsContact O-N 3.09Å; T411-A442 WeakPolarHBondContact CB-O 3.41Å; T411-A442 WeakPolarHBondContact CG2-O 3.4Å; T411-A442 PolarHBondContact N-O 3.22Å; T411-A442 PolarHBondContact OG1-O 2.93Å; A442-T523 HydrophobicContact CB-CG2 3.92Å; A442-W524 CarbonylContact C-O 3.57Å; A442-W524 WeakPolarHBondContact CA-O 3.2Å; A442-Y525 HydrophobicContact CB-CD1 4.1Å; A442-Y525 HydrophobicContact CB-CE1 3.89Å
443	I	92.6	Very high	83.5	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	116	177.5	-62	162.8	0	0	0	107.2	T411 F423 L445 T523 W524 M550 A552	T411-I443 HydrophobicContact CG2-CG1 4.39Å; F423-I443 HydrophobicContact CD1-CG2 3.85Å; F423-I443 HydrophobicContact CD2-CG2 3.84Å; F423-I443 HydrophobicContact CE1-CG2 3.85Å; F423-I443 HydrophobicContact CE2-CG2 3.86Å; F423-I443 HydrophobicContact CG-CG2 3.85Å; F423-I443 HydrophobicContact CZ-CG2 3.88Å; I443-L445 HydrophobicContact CG2-CD2 4.45Å; I443-T523 CarbonylContact O-C 3.57Å; I443-T523 WeakPolarHBondContact O-CA 3.14Å; I443-W524 HydrophobicContact CB-CB 4.28Å; I443-W524 PolarHBondContact N-O 2.68Å; I443-W524 PolarHBondContact O-N 3.17Å; I443-M550 HydrophobicContact CD1-CE 4.24Å; I443-A552 HydrophobicContact CD1-CB 3.9Å
444	N	91.4	Very high	84	Confident	86 Å²	86	33.3 Å²	33.3	46%	0.46	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	117.7	-176.2	-169.7	13.9	0	0	0	111.3	F423	F423-N444 WeakPolarHBondContact CE1-O 2.91Å
445	L	90.9	Very high	84.8	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	123.9	175.1	-61.6	-174.9	0	0	0	110.8	F423 I443 D450 L455 P519 G522	F423-L445 HydrophobicContact CE2-CD2 4.09Å; F423-L445 HydrophobicContact CZ-CD2 3.65Å; I443-L445 HydrophobicContact CG2-CD2 4.45Å; L445-D450 HydrophobicContact CB-CB 4.11Å; L445-D450 HydrophobicContact CD2-CB 4.23Å; L445-L455 HydrophobicContact CD1-CD2 4.36Å; L445-P519 HydrophobicContact CD1-CB 3.67Å; L445-P519 HydrophobicContact CD1-CG 3.65Å; L445-G522 PolarHBondContact N-O 3.34Å; L445-G522 PolarHBondContact O-N 2.88Å
446	M	87.5	Confident	85.7	Confident	57 Å²	57	31.6 Å²	31.6	28%	0.281	17%	0.169	S	C	.	.	P	Polyproline II helix	trans	-73.9	139	-178.4	-62.7	-155.6	-64.2	0	0	112	R413 E415 L449 D450	R413-M446 VanDerWaalsContact NH2-CE 3.3Å; E415-M446 WeakPolarHBondContact OE1-CE 3.36Å; M446-L449 HydrophobicContact CB-CB 4.31Å; M446-L449 HydrophobicContact CE-CB 4.44Å; M446-L449 HydrophobicContact CE-CD1 3.74Å; M446-D450 PolarHBondContact N-OD2 3.48Å; M446-D450 PolarHBondContact O-N 3.11Å
447	P	78.8	Confident	86.9	Confident	81 Å²	81	27.1 Å²	27.1	53%	0.526	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	141.4	174.6	-22.7	32.8	0	0	0	112.7	L449 T521	P447-L449 PolarHBondContact O-N 2.83Å; P447-T521 HydrophobicContact CB-CG2 4.39Å
448	V	70.8	Confident	87.8	Confident	59 Å²	59	22.4 Å²	22.4	36%	0.358	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	68	-31.7	175.5	-173.8	0	0	0	0	115.1	N574 Y575	V448-N574 VanDerWaalsContact CG1-O 3.28Å; V448-N574 WeakPolarHBondContact CG1-O 3.02Å; V448-Y575 HydrophobicContact CG1-CD2 4.13Å
449	L	76.3	Confident	88.5	Confident	104 Å²	104	21.9 Å²	21.9	55%	0.545	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-32.9	-176.8	-76.7	151.9	0	0	0	113.7	F419 M446 P447	F419-L449 WeakPolarHBondContact CD1-O 3.31Å; F419-L449 WeakPolarHBondContact CE1-O 3.29Å; M446-L449 HydrophobicContact CB-CB 4.31Å; M446-L449 HydrophobicContact CE-CB 4.44Å; M446-L449 HydrophobicContact CE-CD1 3.74Å; P447-L449 PolarHBondContact O-N 2.83Å
450	D	85.3	Confident	88.8	Confident	3 Å²	3	26.4 Å²	26.4	2%	0.016	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-25	-173.3	-67.1	-20.7	0	0	0	113	R413 L445 M446 G452 G453 L554	R413-D450 IonicContact CZ-OD2 2.64Å; R413-D450 IonicContact NE-OD2 2.77Å; R413-D450 IonicContact NH2-OD1 3.44Å; R413-D450 PolarHBondContact NH2-OD1 3.43Å; R413-D450 IonicContact NH2-OD2 2.79Å; R413-D450 PolarHBondContact NH2-OD2 3.47Å; L445-D450 HydrophobicContact CB-CB 4.11Å; L445-D450 HydrophobicContact CD2-CB 4.23Å; M446-D450 PolarHBondContact N-OD2 3.48Å; M446-D450 PolarHBondContact O-N 3.11Å; D450-G452 PolarHBondContact O-N 3.17Å; D450-G453 PolarHBondContact O-N 3.44Å; D450-L554 HydrophobicContact CB-CD2 3.8Å
451	S	88.2	Confident	88.9	Confident	2 Å²	2	26.5 Å²	26.5	1%	0.014	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-9.8	-177.1	55.7	0	0	0	0	114.7	Y518 P519 Y575	S451-Y518 VanDerWaalsContact O-CA 3.31Å; S451-Y518 WeakPolarHBondContact O-CA 3.3Å; S451-Y518 WeakPolarHBondContact O-CD1 3.33Å; S451-P519 WeakPolarHBondContact CA-O 3.03Å; S451-P519 VanDerWaalsContact CB-O 3.3Å; S451-P519 WeakPolarHBondContact CB-O 3.2Å; S451-Y575 WeakPolarHBondContact CB-OH 3.2Å; S451-Y575 PolarHBondContact O-OH 3.04Å; S451-Y575 VanDerWaalsContact O-OH 3.06Å; S451-Y575 WeakPolarHBondContact OG-CE2 3.47Å; S451-Y575 PolarHBondContact OG-OH 3.31Å
452	G	90.1	Very high	88.8	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-0.7	177	0	0	0	0	0	114.7	F419 D450 Y518 Y575 Y577 A578	F419-G452 VanDerWaalsContact CE1-CA 3.43Å; D450-G452 PolarHBondContact O-N 3.17Å; G452-Y518 WeakPolarHBondContact O-CE1 3.46Å; G452-Y575 PolarHBondContact N-OH 3.46Å; G452-Y577 WeakPolarHBondContact O-CA 3.3Å; G452-A578 PolarHBondContact O-N 3.16Å
453	G	91.9	Very high	88.4	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	-116.4	-154.4	178.6	0	0	0	0	0	113.7	D450 Y518 P519	D450-G453 PolarHBondContact O-N 3.44Å; G453-Y518 WeakPolarHBondContact O-CA 2.92Å; G453-Y518 PolarHBondContact O-N 2.03Å; G453-P519 WeakPolarHBondContact O-CD 3.45Å
454	V	93.6	Very high	87.6	Confident	5 Å²	5	36.4 Å²	36.4	3%	0.03	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	120.5	-178	-175	0	0	0	0	109.6	N456 R515 P517 L554 T555 I558	V454-N456 PolarHBondContact O-ND2 2.81Å; V454-R515 HydrophobicContact CG1-CB 4.23Å; V454-P517 HydrophobicContact CG2-CB 4.46Å; V454-L554 WeakPolarHBondContact O-CA 3.29Å; V454-L554 WeakPolarHBondContact O-CD1 3.47Å; V454-T555 PolarHBondContact N-O 2.95Å; V454-T555 PolarHBondContact O-N 3.49Å; V454-I558 HydrophobicContact CG1-CG1 4.17Å; V454-I558 HydrophobicContact CG2-CG1 3.7Å
455	L	94.3	Very high	86.5	Confident	3 Å²	3	34 Å²	34	2%	0.016	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	119.6	172.5	176.7	66.1	0	0	0	109.3	F423 L445 R515 I516 P519 L554	F423-L455 HydrophobicContact CE2-CD1 4.4Å; L445-L455 HydrophobicContact CD1-CD2 4.36Å; L455-R515 WeakPolarHBondContact O-CA 3.35Å; L455-I516 HydrophobicContact CB-CB 4.39Å; L455-I516 HydrophobicContact CD2-CD1 4.43Å; L455-I516 PolarHBondContact N-O 3.02Å; L455-I516 PolarHBondContact O-N 2.93Å; L455-P519 HydrophobicContact CB-CB 4.12Å; L455-P519 HydrophobicContact CB-CG 3.99Å; L455-L554 HydrophobicContact CB-CD1 4.32Å
456	N	94.6	Very high	85.5	Confident	5 Å²	5	34.9 Å²	34.9	3%	0.027	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	129.7	176.1	-59.5	-86	0	0	0	109.7	V454 R515 A552 Y553 T555	V454-N456 PolarHBondContact O-ND2 2.81Å; N456-R515 WeakPolarHBondContact OD1-CG 3.27Å; N456-A552 WeakPolarHBondContact O-CA 3.44Å; N456-Y553 WeakPolarHBondContact CA-O 3.49Å; N456-Y553 HydrophobicContact CB-CD1 4.1Å; N456-Y553 HydrophobicContact CB-CD2 4.05Å; N456-Y553 HydrophobicContact CB-CE1 3.72Å; N456-Y553 HydrophobicContact CB-CE2 3.64Å; N456-Y553 HydrophobicContact CB-CG 4.27Å; N456-Y553 VanDerWaalsContact CB-CZ 3.46Å; N456-Y553 WeakPolarHBondContact CB-O 3.21Å; N456-Y553 PolarHBondContact N-O 2.82Å; N456-Y553 PolarHBondContact O-N 3.22Å; N456-T555 PolarHBondContact ND2-OG1 2.87Å
457	M	93.4	Very high	84.5	Confident	5 Å²	5	42 Å²	42	3%	0.025	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	128.1	176.9	-178	69	-160.4	0	0	109	L459 L503 K513 L514 L526 M550 A552	M457-L459 HydrophobicContact CE-CD2 3.4Å; M457-L459 VanDerWaalsContact CE-CD2 3.4Å; M457-L459 HydrophobicContact CE-CG 3.86Å; M457-L503 HydrophobicContact CG-CD1 4.09Å; M457-K513 CarbonylContact O-C 3.44Å; M457-K513 WeakPolarHBondContact O-CA 3.13Å; M457-L514 HydrophobicContact CB-CB 4.3Å; M457-L514 PolarHBondContact N-O 3.02Å; M457-L514 PolarHBondContact O-N 3.49Å; M457-L526 HydrophobicContact CE-CD1 4.44Å; M457-L526 HydrophobicContact CE-CD2 3.28Å; M457-L526 HydrophobicContact CE-CG 4.44Å; M457-L526 HydrophobicContact SD-CD2 4.42Å; M457-M550 HydrophobicContact CE-CE 3.88Å; M457-M550 HydrophobicContact CE-CG 3.53Å; M457-M550 HydrophobicContact SD-CE 4.37Å; M457-A552 HydrophobicContact SD-CB 3.83Å
458	E	93.3	Very high	83.8	Confident	27 Å²	27	41.9 Å²	41.9	13%	0.126	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	129.8	178.2	179.7	174.7	-153	0	0	109.7	I511 T512 K513 R551	E458-I511 HydrophobicContact CG-CG2 4.28Å; E458-T512 WeakPolarHBondContact CA-O 3.32Å; E458-K513 HydrophobicContact CB-CG 4.42Å; E458-K513 HydrophobicContact CG-CG 4.15Å; E458-K513 WeakPolarHBondContact OE1-CE 3.42Å; E458-K513 IonicContact OE1-NZ 2.98Å; E458-R551 HydrophobicContact CB-CB 4.27Å; E458-R551 PolarHBondContact N-O 2.86Å; E458-R551 PolarHBondContact O-N 2.78Å
459	L	92.8	Very high	83.7	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	130	172.7	-66.1	178.4	0	0	0	108.5	M457 L503 V505 I511 T512 L526 L528 V548 M550	M457-L459 HydrophobicContact CE-CD2 3.4Å; M457-L459 VanDerWaalsContact CE-CD2 3.4Å; M457-L459 HydrophobicContact CE-CG 3.86Å; L459-L503 HydrophobicContact CD1-CB 3.87Å; L459-L503 HydrophobicContact CD1-CD1 3.87Å; L459-L503 HydrophobicContact CD1-CG 4.42Å; L459-V505 HydrophobicContact CB-CG1 3.99Å; L459-I511 WeakPolarHBondContact O-CA 3.43Å; L459-T512 PolarHBondContact N-O 3.35Å; L459-T512 PolarHBondContact O-N 2.82Å; L459-L526 HydrophobicContact CD2-CD2 4.34Å; L459-L528 HydrophobicContact CD1-CD2 3.83Å; L459-L528 HydrophobicContact CD2-CD1 4.41Å; L459-L528 HydrophobicContact CD2-CD2 4.36Å; L459-V548 HydrophobicContact CB-CG1 4.24Å; L459-V548 HydrophobicContact CD2-CG1 3.99Å; L459-M550 HydrophobicContact CD2-CB 4.19Å; L459-M550 HydrophobicContact CD2-CG 4.07Å
460	K	92.1	Very high	83.8	Confident	97 Å²	97	40.3 Å²	40.3	42%	0.422	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	120	177	175.3	176.1	-178.4	-176.3	0	110.7	N510 I511 V548 Y549	K460-N510 CarbonylContact C-O 3.51Å; K460-N510 VanDerWaalsContact CA-O 3.28Å; K460-N510 WeakPolarHBondContact CA-O 3.34Å; K460-I511 HydrophobicContact CB-CG1 3.96Å; K460-I511 HydrophobicContact CD-CD1 4.11Å; K460-I511 HydrophobicContact CD-CG1 4.01Å; K460-I511 HydrophobicContact CG-CD1 4.35Å; K460-I511 HydrophobicContact CG-CG1 3.7Å; K460-V548 CarbonylContact O-C 3.55Å; K460-V548 WeakPolarHBondContact O-CA 3.45Å; K460-Y549 HydrophobicContact CB-CD1 4.32Å; K460-Y549 PolarHBondContact N-O 2.84Å; K460-Y549 PolarHBondContact O-N 2.86Å
461	L	89.8	Confident	83.7	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	129.8	179.1	-173.8	62	0	0	0	110.8	L463 L466 L471 V473 V505 N510 A546 V548	L461-L463 PolarHBondContact O-N 3.38Å; L461-L466 HydrophobicContact CD1-CD1 4.35Å; L461-L466 HydrophobicContact CD2-CD1 3.65Å; L461-L466 HydrophobicContact CG-CD1 3.91Å; L461-L471 HydrophobicContact CD1-CD2 4.47Å; L461-V473 HydrophobicContact CD1-CG2 3.94Å; L461-V505 HydrophobicContact CB-CB 4.15Å; L461-V505 HydrophobicContact CB-CG2 3.99Å; L461-N510 PolarHBondContact N-O 2.87Å; L461-A546 HydrophobicContact CD1-CB 4.39Å; L461-V548 HydrophobicContact CD1-CG2 3.89Å
462	N	86.4	Confident	83.7	Confident	54 Å²	54	40.6 Å²	40.6	29%	0.289	23%	0.233	S	C	.	.			trans	-85.4	103.1	177	-170.4	7.8	0	0	0	111.1	S464 T465 E547	N462-S464 VanDerWaalsContact C-N 3.26Å; N462-S464 PolarHBondContact ND2-OG 3.04Å; N462-S464 PolarHBondContact O-N 3.23Å; N462-S464 PolarHBondContact OD1-N 3.46Å; N462-S464 PolarHBondContact OD1-OG 3.28Å; N462-T465 PolarHBondContact O-N 3.1Å; N462-T465 PolarHBondContact O-OG1 3.07Å; N462-E547 HydrophobicContact CB-CB 3.91Å; N462-E547 WeakPolarHBondContact CB-O 3.26Å; N462-E547 PolarHBondContact N-O 3.19Å; N462-E547 PolarHBondContact ND2-OE2 3.35Å; N462-E547 VanDerWaalsContact ND2-OE2 3.07Å
463	L	82.8	Confident	83.6	Confident	74 Å²	74	40.6 Å²	40.6	39%	0.387	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-65.5	-24.2	-175.2	-60.8	178.6	0	0	0	113.7	L461 T465 L466 V507 N510	L461-L463 PolarHBondContact O-N 3.38Å; L463-T465 PolarHBondContact O-N 3.38Å; L463-L466 HydrophobicContact CD2-CD1 4.09Å; L463-L466 PolarHBondContact O-N 3.08Å; L463-L466 VanDerWaalsContact O-N 3.17Å; L463-V507 HydrophobicContact CD2-CB 4.46Å; L463-V507 HydrophobicContact CD2-CG1 4.19Å; L463-N510 HydrophobicContact CD2-CB 4.4Å
464	S	76.5	Confident	83.4	Confident	99 Å²	99	41 Å²	41	69%	0.692	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-65.6	-21.1	-178.7	63	0	0	0	0	113.5	N462	N462-S464 VanDerWaalsContact C-N 3.26Å; N462-S464 PolarHBondContact ND2-OG 3.04Å; N462-S464 PolarHBondContact O-N 3.23Å; N462-S464 PolarHBondContact OD1-N 3.46Å; N462-S464 PolarHBondContact OD1-OG 3.28Å
465	T	68	Low	83.2	Confident	35 Å²	35	40.7 Å²	40.7	22%	0.215	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-85.4	-18.2	179.2	61.3	0	0	0	0	113.4	N462 L463 K467 E547	N462-T465 PolarHBondContact O-N 3.1Å; N462-T465 PolarHBondContact O-OG1 3.07Å; L463-T465 PolarHBondContact O-N 3.38Å; T465-K467 PolarHBondContact O-N 3.28Å; T465-E547 HydrophobicContact CG2-CB 3.83Å; T465-E547 VanDerWaalsContact CG2-CD 3.42Å; T465-E547 HydrophobicContact CG2-CG 3.76Å; T465-E547 VanDerWaalsContact CG2-OE2 3.3Å; T465-E547 WeakPolarHBondContact CG2-OE2 3.41Å
466	L	69.7	Low	83.1	Confident	20 Å²	20	40.6 Å²	40.6	11%	0.105	23%	0.233	C	C	.	.			trans	-89.5	94	-177.2	-58.1	173.6	0	0	0	108.2	L461 L463 G468 L471 V507 V544	L461-L466 HydrophobicContact CD1-CD1 4.35Å; L461-L466 HydrophobicContact CD2-CD1 3.65Å; L461-L466 HydrophobicContact CG-CD1 3.91Å; L463-L466 HydrophobicContact CD2-CD1 4.09Å; L463-L466 PolarHBondContact O-N 3.08Å; L463-L466 VanDerWaalsContact O-N 3.17Å; L466-G468 PolarHBondContact O-N 3.28Å; L466-L471 HydrophobicContact CD2-CB 3.81Å; L466-L471 HydrophobicContact CD2-CD1 3.98Å; L466-L471 HydrophobicContact CD2-CD2 4.12Å; L466-L471 HydrophobicContact CD2-CG 4.19Å; L466-V507 HydrophobicContact CD1-CG2 4.07Å; L466-V544 HydrophobicContact CD2-CG1 4.42Å
467	K	66.9	Low	82.9	Confident	206 Å²	206	40.4 Å²	40.4	90%	0.896	23%	0.232	S	C	*	.	S	Bend	trans	-68.1	51	176.5	-62.4	-179.6	179.7	177.5	0	112.7	T465	T465-K467 PolarHBondContact O-N 3.28Å
468	G	63.1	Low	82.8	Confident	79 Å²	79	40.5 Å²	40.5	81%	0.814	23%	0.233	S	C	*	.	S	Bend	trans	80.3	7	-178.9	0	0	0	0	0	115.9	L466	L466-G468 PolarHBondContact O-N 3.28Å
469	A	68.1	Low	82.6	Confident	30 Å²	30	41.2 Å²	41.2	25%	0.248	24%	0.236	C	C	.	.			trans	-79.8	135.9	178.2	0	0	0	0	0	111.9	L471 V544	A469-L471 PolarHBondContact O-N 3.04Å; A469-V544 HydrophobicContact CB-CG2 4.33Å
470	N	78.3	Confident	82.3	Confident	100 Å²	100	42.2 Å²	42.2	54%	0.535	25%	0.247	S	C	.	.			trans	-78.3	72.2	175.9	-164.4	8.4	0	0	0	111	A533	N470-A533 PolarHBondContact O-N 3.09Å
471	L	84.9	Confident	82	Confident	0 Å²	0	38 Å²	38	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	137.5	-176.8	-173.5	149.5	0	0	0	110.9	L461 L466 A469 V473 V544 A546	L461-L471 HydrophobicContact CD1-CD2 4.47Å; L466-L471 HydrophobicContact CD2-CB 3.81Å; L466-L471 HydrophobicContact CD2-CD1 3.98Å; L466-L471 HydrophobicContact CD2-CD2 4.12Å; L466-L471 HydrophobicContact CD2-CG 4.19Å; A469-L471 PolarHBondContact O-N 3.04Å; L471-V473 HydrophobicContact CD2-CG2 3.58Å; L471-V544 HydrophobicContact CD1-CB 4.25Å; L471-V544 HydrophobicContact CD1-CG1 3.59Å; L471-A546 HydrophobicContact CD1-CB 3.99Å; L471-A546 HydrophobicContact CD2-CB 3.62Å
472	T	86.9	Confident	81.7	Confident	10 Å²	10	38 Å²	38	6%	0.061	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	130.2	171.3	-58.8	0	0	0	0	109.3	F474 V505 N506 L531	T472-F474 HydrophobicContact CG2-CD1 4.07Å; T472-F474 HydrophobicContact CG2-CD2 4.36Å; T472-F474 HydrophobicContact CG2-CE1 3.53Å; T472-F474 HydrophobicContact CG2-CE2 3.85Å; T472-F474 HydrophobicContact CG2-CG 4.47Å; T472-F474 HydrophobicContact CG2-CZ 3.42Å; T472-F474 VanDerWaalsContact CG2-CZ 3.42Å; T472-V505 WeakPolarHBondContact CA-O 3.45Å; T472-V505 WeakPolarHBondContact CG2-O 3.47Å; T472-N506 HydrophobicContact CG2-CB 4.16Å; T472-L531 PolarHBondContact N-O 2.98Å; T472-L531 PolarHBondContact O-N 3.33Å; T472-L531 VanDerWaalsContact O-O 3.04Å
473	V	88.1	Confident	81.4	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	125.1	171.6	-178.4	0	0	0	0	108.7	I433 L461 L471 S504 V505 A546 V548	I433-V473 HydrophobicContact CD1-CG1 3.59Å; I433-V473 HydrophobicContact CD1-CG2 4.42Å; L461-V473 HydrophobicContact CD1-CG2 3.94Å; L471-V473 HydrophobicContact CD2-CG2 3.58Å; V473-S504 WeakPolarHBondContact O-CA 3.39Å; V473-V505 HydrophobicContact CB-CG2 3.71Å; V473-V505 HydrophobicContact CG2-CG2 4.45Å; V473-V505 PolarHBondContact N-O 3.49Å; V473-V505 PolarHBondContact O-N 3.37Å; V473-A546 HydrophobicContact CG2-CB 3.67Å; V473-V548 HydrophobicContact CB-CG2 4.21Å; V473-V548 HydrophobicContact CG1-CG2 4.13Å; V473-V548 HydrophobicContact CG2-CG2 3.81Å
474	F	88.5	Confident	80.9	Confident	7 Å²	7	35.2 Å²	35.2	3%	0.031	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	136.4	176.3	-62.3	-69.3	0	0	0	110.1	T472 L485 L491 F502 L503 L528 R529 L531 F538	T472-F474 HydrophobicContact CG2-CD1 4.07Å; T472-F474 HydrophobicContact CG2-CD2 4.36Å; T472-F474 HydrophobicContact CG2-CE1 3.53Å; T472-F474 HydrophobicContact CG2-CE2 3.85Å; T472-F474 HydrophobicContact CG2-CG 4.47Å; T472-F474 HydrophobicContact CG2-CZ 3.42Å; T472-F474 VanDerWaalsContact CG2-CZ 3.42Å; F474-L485 HydrophobicContact CB-CD1 3.4Å; F474-L485 HydrophobicContact CG-CD1 4.41Å; F474-L491 HydrophobicContact CD1-CD2 4.47Å; F474-L491 HydrophobicContact CD2-CD2 4.05Å; F474-L491 HydrophobicContact CE1-CD1 3.95Å; F474-L491 HydrophobicContact CE1-CD2 4.17Å; F474-L491 HydrophobicContact CE2-CD1 4.34Å; F474-L491 HydrophobicContact CE2-CD2 3.72Å; F474-L491 HydrophobicContact CG-CD2 4.39Å; F474-L491 HydrophobicContact CZ-CD1 3.61Å; F474-L491 HydrophobicContact CZ-CD2 3.77Å; F474-L491 HydrophobicContact CZ-CG 4.33Å; F474-F502 HydrophobicContact CB-CE2 4.33Å; F474-F502 HydrophobicContact CD1-CE1 4.27Å; F474-F502 AromaticContact CD1-CE2 3.75Å; F474-F502 HydrophobicContact CD1-CE2 3.75Å; F474-F502 AromaticContact CD1-CZ 3.29Å; F474-F502 HydrophobicContact CD1-CZ 3.29Å; F474-F502 HydrophobicContact CE1-CE2 4.47Å; F474-F502 AromaticContact CE1-CZ 3.68Å; F474-F502 HydrophobicContact CE1-CZ 3.68Å; F474-F502 HydrophobicContact CG-CE2 4.37Å; F474-F502 HydrophobicContact CG-CZ 4.32Å; F474-L503 CarbonylContact C-O 3.58Å; F474-L503 WeakPolarHBondContact CA-O 3.43Å; F474-L528 CarbonylContact O-C 3.59Å; F474-L528 WeakPolarHBondContact O-CA 3.48Å; F474-R529 PolarHBondContact N-O 3.44Å; F474-R529 PolarHBondContact O-N 3.01Å; F474-L531 HydrophobicContact CD2-CB 4.14Å; F474-L531 HydrophobicContact CD2-CD1 3.74Å; F474-L531 HydrophobicContact CD2-CG 4.06Å; F474-L531 HydrophobicContact CE2-CB 3.92Å; F474-L531 HydrophobicContact CE2-CD1 3.8Å; F474-L531 HydrophobicContact CE2-CG 4.23Å; F474-F538 AromaticContact CE2-CD1 3.78Å; F474-F538 HydrophobicContact CE2-CD1 3.78Å; F474-F538 AromaticContact CE2-CE1 3.93Å; F474-F538 HydrophobicContact CE2-CE1 3.93Å; F474-F538 HydrophobicContact CE2-CG 4.25Å; F474-F538 AromaticContact CZ-CD1 3.92Å; F474-F538 HydrophobicContact CZ-CD1 3.92Å; F474-F538 AromaticContact CZ-CE1 3.62Å; F474-F538 HydrophobicContact CZ-CE1 3.62Å; F474-F538 HydrophobicContact CZ-CE2 4.32Å; F474-F538 HydrophobicContact CZ-CG 4.37Å; F474-F538 AromaticContact CZ-CZ 3.83Å; F474-F538 HydrophobicContact CZ-CZ 3.83Å
475	G	89.6	Confident	80.4	Confident	0 Å²	0	31 Å²	31	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	140.5	177.5	0	0	0	0	0	111.6	L503 S527	G475-L503 PolarHBondContact N-O 3.01Å; G475-L503 PolarHBondContact O-N 2.66Å; G475-S527 CarbonylContact C-O 3.52Å; G475-S527 WeakPolarHBondContact CA-O 3.33Å
476	C	90.6	Very high	79.9	Confident	1 Å²	1	37 Å²	37	1%	0.007	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	112.5	176.9	177.9	0	0	0	0	108.5	L483 C493 F501 L526 S527	C476-L483 WeakPolarHBondContact SG-CB 3.43Å; C476-C493 WeakPolarHBondContact CA-SG 3.49Å; C476-C493 HydrophobicContact CB-CB 3.88Å; C476-C493 WeakPolarHBondContact CB-SG 3.32Å; C476-C493 VanDerWaalsContact SG-CA 3.58Å; C476-C493 WeakPolarHBondContact SG-CB 3.49Å; C476-C493 CovalentContact SG-SG 2.01Å; C476-C493 PolarHBondContact SG-SG 2.85Å; C476-F501 WeakPolarHBondContact CA-O 3.38Å; C476-L526 WeakPolarHBondContact O-CA 3.43Å; C476-S527 WeakPolarHBondContact CB-OG 3.33Å; C476-S527 PolarHBondContact N-O 3.02Å; C476-S527 PolarHBondContact O-N 2.92Å; C476-S527 PolarHBondContact O-OG 3.33Å
477	L	91.8	Very high	79.5	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	117.1	-178.7	178.4	69.6	0	0	0	109.2	F501 L514 I516 W524 Y525 L526	L477-F501 HydrophobicContact CB-CB 4.3Å; L477-F501 PolarHBondContact N-O 3.31Å; L477-F501 PolarHBondContact O-N 2.9Å; L477-L514 HydrophobicContact CD2-CD2 3.79Å; L477-I516 HydrophobicContact CD2-CD1 3.88Å; L477-W524 HydrophobicContact CD1-CB 4.23Å; L477-W524 HydrophobicContact CD1-CE3 4.23Å; L477-W524 HydrophobicContact CD2-CE3 4.33Å; L477-W524 HydrophobicContact CG-CE3 3.93Å; L477-W524 HydrophobicContact CG-CZ3 4.43Å; L477-Y525 WeakPolarHBondContact CA-O 3.36Å; L477-L526 HydrophobicContact CB-CD1 4.01Å; L477-L526 HydrophobicContact CD1-CB 4.12Å; L477-L526 HydrophobicContact CD1-CD1 4.47Å
478	N	91.2	Very high	79.3	Confident	7 Å²	7	34.8 Å²	34.8	4%	0.037	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	152.7	-178	-173.6	49.4	0	0	0	112.6	M481 L483 W524 Y525	N478-M481 VanDerWaalsContact ND2-CG 3.25Å; N478-M481 WeakPolarHBondContact ND2-CG 3.48Å; N478-M481 PolarHBondContact ND2-O 2.98Å; N478-L483 HydrophobicContact CB-CB 4.45Å; N478-L483 HydrophobicContact CB-CD1 3.82Å; N478-L483 HydrophobicContact CB-CG 3.89Å; N478-W524 CarbonylContact O-C 3.5Å; N478-W524 WeakPolarHBondContact O-CA 3.26Å; N478-Y525 PolarHBondContact N-O 3.33Å; N478-Y525 PolarHBondContact O-N 2.03Å
479	H	88.9	Confident	78.6	Confident	42 Å²	42	36.1 Å²	36.1	19%	0.194	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	137.5	178.6	178.9	-101.4	0	0	0	111.6	M481 Q520 T521 W524	H479-M481 PolarHBondContact O-N 3.2Å; H479-Q520 PolarHBondContact ND1-OE1 3.27Å; H479-T521 PolarHBondContact NE2-O 2.87Å; H479-W524 HydrophobicContact CB-CD2 4.14Å; H479-W524 HydrophobicContact CB-CE3 4.13Å; H479-W524 HydrophobicContact CB-CH2 4.07Å; H479-W524 HydrophobicContact CB-CZ2 4.07Å; H479-W524 HydrophobicContact CB-CZ3 4.1Å; H479-W524 AromaticContact CD2-CD1 3.98Å; H479-W524 AromaticContact CD2-CE2 3.73Å; H479-W524 AromaticContact CD2-NE1 3.54Å
480	G	86.3	Confident	78.2	Confident	22 Å²	22	37.2 Å²	37.2	23%	0.227	20%	0.196	C	C	.	.	S	Bend	trans	78.1	-23.9	172.4	0	0	0	0	0	116.2	T523 Y525	G480-T523 PolarHBondContact N-O 3.44Å; G480-Y525 VanDerWaalsContact C-CE2 3.48Å; G480-Y525 WeakPolarHBondContact O-CE2 3.41Å
481	M	84.9	Confident	77.8	Confident	8 Å²	8	34.7 Å²	34.7	4%	0.039	18%	0.183	C	C	.	.	S	Bend	trans	-157	145.8	-175.9	60.4	-150.2	-79.4	0	0	112.2	V306 P307 A308 N478 H479 Y525	V306-M481 HydrophobicContact CB-CE 4.43Å; V306-M481 HydrophobicContact CG1-CE 3.86Å; V306-M481 WeakPolarHBondContact O-CE 3.08Å; P307-M481 VanDerWaalsContact O-CE 3.31Å; P307-M481 WeakPolarHBondContact O-CE 3.48Å; A308-M481 WeakPolarHBondContact CA-SD 3.32Å; A308-M481 HydrophobicContact CB-CE 4.35Å; A308-M481 HydrophobicContact CB-SD 3.71Å; A308-M481 VanDerWaalsContact N-CE 3.32Å; N478-M481 VanDerWaalsContact ND2-CG 3.25Å; N478-M481 WeakPolarHBondContact ND2-CG 3.48Å; N478-M481 PolarHBondContact ND2-O 2.98Å; H479-M481 PolarHBondContact O-N 3.2Å; M481-Y525 VanDerWaalsContact C-CD2 3.5Å
482	P	83.6	Confident	77.2	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.006	21%	0.213	C	C	.	.			trans	-75.3	125.8	174.6	30.2	-32.7	0	0	0	110.9	V306 W309 V440 F484 Y525	V306-P482 VanDerWaalsContact CG1-O 3.31Å; V306-P482 WeakPolarHBondContact CG1-O 3.49Å; W309-P482 HydrophobicContact CH2-CG 3.42Å; W309-P482 VanDerWaalsContact CH2-CG 3.42Å; W309-P482 HydrophobicContact CZ2-CG 3.93Å; W309-P482 VanDerWaalsContact CZ3-CD 3.46Å; W309-P482 HydrophobicContact CZ3-CG 3.93Å; V440-P482 HydrophobicContact CG1-CB 3.95Å; P482-F484 HydrophobicContact CB-CE1 4.19Å; P482-F484 HydrophobicContact CB-CE2 4.49Å; P482-F484 HydrophobicContact CB-CZ 3.89Å; P482-F484 HydrophobicContact CG-CE2 4.35Å; P482-F484 HydrophobicContact CG-CZ 3.93Å; P482-Y525 HydrophobicContact CB-CD1 4.4Å; P482-Y525 HydrophobicContact CB-CG 4.21Å
483	L	80.9	Confident	76.8	Confident	6 Å²	6	41.5 Å²	41.5	3%	0.031	21%	0.212	C	C	.	.			trans	-93.1	142.8	168	-68.5	179.9	0	0	0	109.2	V306 C476 N478 C493 S527	V306-L483 HydrophobicContact CG1-CD2 4.05Å; C476-L483 WeakPolarHBondContact SG-CB 3.43Å; N478-L483 HydrophobicContact CB-CB 4.45Å; N478-L483 HydrophobicContact CB-CD1 3.82Å; N478-L483 HydrophobicContact CB-CG 3.89Å; L483-C493 WeakPolarHBondContact CD1-O 3.34Å; L483-S527 VanDerWaalsContact O-CB 3.25Å; L483-S527 WeakPolarHBondContact O-CB 3.28Å; L483-S527 PolarHBondContact O-OG 2.64Å
484	F	72.6	Confident	76.1	Confident	64 Å²	64	45.7 Å²	45.7	28%	0.281	23%	0.234	S	C	.	.			trans	-117.1	136.6	179.3	-56.6	-66.7	0	0	0	110	W406 V440 P482 R486	W406-F484 HydrophobicContact CB-CE1 4.27Å; W406-F484 AromaticContact CD1-CD1 3.6Å; W406-F484 AromaticContact CD1-CE1 3.42Å; W406-F484 VanDerWaalsContact CD1-CE1 3.42Å; W406-F484 AromaticContact CD1-CZ 3.96Å; W406-F484 HydrophobicContact CG-CE1 4.22Å; V440-F484 HydrophobicContact CG2-CE1 3.7Å; V440-F484 HydrophobicContact CG2-CZ 4.45Å; P482-F484 HydrophobicContact CB-CE1 4.19Å; P482-F484 HydrophobicContact CB-CE2 4.49Å; P482-F484 HydrophobicContact CB-CZ 3.89Å; P482-F484 HydrophobicContact CG-CE2 4.35Å; P482-F484 HydrophobicContact CG-CZ 3.93Å; F484-R486 PolarHBondContact O-N 2.96Å
485	L	64.6	Low	75.2	Confident	10 Å²	10	47.1 Å²	47.1	5%	0.052	25%	0.245	C	C	.	.			trans	-67.1	100.9	168.8	-75	145.4	0	0	0	108.2	F474 L491 F502 R529	F474-L485 HydrophobicContact CB-CD1 3.4Å; F474-L485 HydrophobicContact CG-CD1 4.41Å; L485-L491 HydrophobicContact CD2-CD2 4.49Å; L485-F502 HydrophobicContact CD2-CE2 4.16Å; L485-R529 PolarHBondContact O-NH1 3.41Å
486	R	59.4	Low	73.8	Confident	162 Å²	162	55.3 Å²	55.3	61%	0.611	28%	0.283	S	S	*	.			trans	-89.9	-38.8	-164.1	-148.7	175.1	-174.3	-137.9	-2.2	112.6	L305 F484	L305-R486 VanDerWaalsContact CD1-NH1 3.3Å; F484-R486 PolarHBondContact O-N 2.96Å
487	E	60.3	Low	72.3	Confident	118 Å²	118	59.8 Å²	59.8	55%	0.551	32%	0.315	S	S	*	.			trans	-111.6	133.4	179.3	-99	169.5	-174.5	0	0	110.6	S489 S490	E487-S489 PolarHBondContact O-N 3.02Å; E487-S490 VanDerWaalsContact CB-OG 3.26Å; E487-S490 WeakPolarHBondContact CB-OG 3.3Å; E487-S490 PolarHBondContact OE2-OG 2.83Å
488	N	61.9	Low	71.2	Confident	62 Å²	62	62.2 Å²	62.2	33%	0.332	33%	0.329	S	S	.	.	S	Bend	trans	-68.1	-17.1	177.1	-74	3	0	0	0	112.4	R529 F538	N488-R529 PolarHBondContact OD1-NH2 3.11Å; N488-R529 VanDerWaalsContact OD1-NH2 3.09Å; N488-F538 WeakPolarHBondContact CB-O 3.29Å
489	S	49.9	Very low	70.5	Confident	107 Å²	107	65.3 Å²	65.3	75%	0.748	36%	0.356	S	S	*	.	S	Bend	trans	-96.3	-27.1	-179.1	52.3	0	0	0	0	114.3	E487	E487-S489 PolarHBondContact O-N 3.02Å
490	S	59.2	Low	70.2	Confident	52 Å²	52	64 Å²	64	36%	0.364	35%	0.353	S	S	.	.			trans	-112.4	86.9	-179	63.4	0	0	0	0	111.1	E487 K492	E487-S490 VanDerWaalsContact CB-OG 3.26Å; E487-S490 WeakPolarHBondContact CB-OG 3.3Å; E487-S490 PolarHBondContact OE2-OG 2.83Å; S490-K492 PolarHBondContact O-N 3.28Å
491	L	69.8	Low	70.3	Confident	48 Å²	48	65.5 Å²	65.5	25%	0.251	35%	0.354	S	S	.	.			trans	-75.1	58.7	179.7	-64.8	172.9	0	0	0	112.7	F474 L485 F502 L531 F538	F474-L491 HydrophobicContact CD1-CD2 4.47Å; F474-L491 HydrophobicContact CD2-CD2 4.05Å; F474-L491 HydrophobicContact CE1-CD1 3.95Å; F474-L491 HydrophobicContact CE1-CD2 4.17Å; F474-L491 HydrophobicContact CE2-CD1 4.34Å; F474-L491 HydrophobicContact CE2-CD2 3.72Å; F474-L491 HydrophobicContact CG-CD2 4.39Å; F474-L491 HydrophobicContact CZ-CD1 3.61Å; F474-L491 HydrophobicContact CZ-CD2 3.77Å; F474-L491 HydrophobicContact CZ-CG 4.33Å; L485-L491 HydrophobicContact CD2-CD2 4.49Å; L491-F502 HydrophobicContact CB-CZ 4.37Å; L491-L531 HydrophobicContact CD2-CD1 4.16Å; L491-F538 HydrophobicContact CD1-CD2 3.5Å; L491-F538 HydrophobicContact CD1-CE2 3.38Å; L491-F538 HydrophobicContact CD1-CG 4.3Å; L491-F538 HydrophobicContact CD1-CZ 4.1Å; L491-F538 HydrophobicContact CG-CD2 4.31Å
492	K	71.8	Confident	70.5	Confident	147 Å²	147	68.9 Å²	68.9	64%	0.639	37%	0.369	S	S	*	.			trans	-118.6	142.9	175.6	-68.6	-173.2	178.2	-177.7	0	111.1	S490 D494	S490-K492 PolarHBondContact O-N 3.28Å; K492-D494 HydrophobicContact CB-CB 4.39Å; K492-D494 PolarHBondContact O-N 3.44Å
493	C	78.3	Confident	70.8	Confident	5 Å²	5	69 Å²	69	3%	0.034	37%	0.369	C	S	.	.			trans	-89.3	47.3	175.9	-178.8	0	0	0	0	109.8	C476 L483 G500 F502	C476-C493 WeakPolarHBondContact CA-SG 3.49Å; C476-C493 HydrophobicContact CB-CB 3.88Å; C476-C493 WeakPolarHBondContact CB-SG 3.32Å; C476-C493 VanDerWaalsContact SG-CA 3.58Å; C476-C493 WeakPolarHBondContact SG-CB 3.49Å; C476-C493 CovalentContact SG-SG 2.01Å; C476-C493 PolarHBondContact SG-SG 2.85Å; L483-C493 WeakPolarHBondContact CD1-O 3.34Å; C493-G500 PolarHBondContact O-N 3.48Å; C493-G500 VanDerWaalsContact SG-CA 3.53Å; C493-F502 HydrophobicContact CB-CB 4.01Å; C493-F502 HydrophobicContact CB-CD2 4.31Å
494	D	74.8	Confident	71.2	Confident	90 Å²	90	70.9 Å²	70.9	48%	0.481	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	145.9	-171.3	-59	-22.8	0	0	0	111	K492 A499	K492-D494 HydrophobicContact CB-CB 4.39Å; K492-D494 PolarHBondContact O-N 3.44Å; D494-A499 WeakPolarHBondContact OD1-CA 3.29Å; D494-A499 WeakPolarHBondContact OD1-CB 3.23Å
495	S	68.3	Low	72	Confident	36 Å²	36	67.8 Å²	67.8	25%	0.252	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	167.2	166.6	178.4	0	0	0	0	108.8	S497 V498	S495-S497 PolarHBondContact O-N 3.24Å; S495-V498 PolarHBondContact N-O 3.2Å; S495-V498 PolarHBondContact O-N 3.24Å
496	E	61.8	Low	73.1	Confident	173 Å²	173	69.3 Å²	69.3	81%	0.808	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	-21.8	-178.9	-69	-178.4	170	0	0	114.2
497	S	58.3	Low	74.2	Confident	95 Å²	95	64.9 Å²	64.9	66%	0.664	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.7	-8.2	-177.4	56.4	0	0	0	0	116.1	S495	S495-S497 PolarHBondContact O-N 3.24Å
498	V	68.8	Low	75.4	Confident	51 Å²	51	64.5 Å²	64.5	31%	0.309	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	131	-173	-175.5	0	0	0	0	110.7	S495	S495-V498 PolarHBondContact N-O 3.2Å; S495-V498 PolarHBondContact O-N 3.24Å
499	A	75.5	Confident	76.5	Confident	72 Å²	72	64.1 Å²	64.1	60%	0.595	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.5	128	172.8	0	0	0	0	0	110.1	D494	D494-A499 WeakPolarHBondContact OD1-CA 3.29Å; D494-A499 WeakPolarHBondContact OD1-CB 3.23Å
500	G	83.6	Confident	78.3	Confident	14 Å²	14	61.6 Å²	61.6	14%	0.144	36%	0.359	C	S	.	.			trans	-102.4	179.3	175.8	0	0	0	0	0	112.7	C493	C493-G500 PolarHBondContact O-N 3.48Å; C493-G500 VanDerWaalsContact SG-CA 3.53Å
501	F	88.4	Confident	79.9	Confident	54 Å²	54	62.3 Å²	62.3	24%	0.237	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	120.6	178.5	-57.2	-66.4	0	0	0	111.3	V154 C476 L477 L514 I516 W524	V154-F501 HydrophobicContact CB-CE1 4.19Å; V154-F501 HydrophobicContact CG1-CD1 4.27Å; V154-F501 HydrophobicContact CG1-CE1 3.39Å; V154-F501 HydrophobicContact CG1-CZ 3.84Å; V154-F501 HydrophobicContact CG2-CD1 3.94Å; V154-F501 HydrophobicContact CG2-CE1 3.88Å; C476-F501 WeakPolarHBondContact CA-O 3.38Å; L477-F501 HydrophobicContact CB-CB 4.3Å; L477-F501 PolarHBondContact N-O 3.31Å; L477-F501 PolarHBondContact O-N 2.9Å; F501-L514 HydrophobicContact CB-CD2 3.64Å; F501-L514 HydrophobicContact CG-CD2 4.13Å; F501-I516 HydrophobicContact CD2-CD1 3.57Å; F501-I516 HydrophobicContact CD2-CG1 4.46Å; F501-I516 HydrophobicContact CE2-CD1 3.53Å; F501-I516 HydrophobicContact CE2-CG1 4.25Å; F501-I516 HydrophobicContact CG-CD1 4.38Å; F501-I516 HydrophobicContact CZ-CD1 4.35Å; F501-W524 AromaticContact CD2-CZ3 3.94Å; F501-W524 HydrophobicContact CD2-CZ3 3.94Å; F501-W524 AromaticContact CE2-CH2 3.87Å; F501-W524 HydrophobicContact CE2-CH2 3.87Å; F501-W524 AromaticContact CE2-CZ3 3.7Å; F501-W524 HydrophobicContact CE2-CZ3 3.7Å
502	F	88.8	Confident	80.9	Confident	80 Å²	80	61.4 Å²	61.4	35%	0.351	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	135.1	177.9	-177.3	-100.7	0	0	0	111.6	F474 L485 L491 C493	F474-F502 HydrophobicContact CB-CE2 4.33Å; F474-F502 HydrophobicContact CD1-CE1 4.27Å; F474-F502 AromaticContact CD1-CE2 3.75Å; F474-F502 HydrophobicContact CD1-CE2 3.75Å; F474-F502 AromaticContact CD1-CZ 3.29Å; F474-F502 HydrophobicContact CD1-CZ 3.29Å; F474-F502 HydrophobicContact CE1-CE2 4.47Å; F474-F502 AromaticContact CE1-CZ 3.68Å; F474-F502 HydrophobicContact CE1-CZ 3.68Å; F474-F502 HydrophobicContact CG-CE2 4.37Å; F474-F502 HydrophobicContact CG-CZ 4.32Å; L485-F502 HydrophobicContact CD2-CE2 4.16Å; L491-F502 HydrophobicContact CB-CZ 4.37Å; C493-F502 HydrophobicContact CB-CB 4.01Å; C493-F502 HydrophobicContact CB-CD2 4.31Å
503	L	89	Confident	81.9	Confident	4 Å²	4	58.4 Å²	58.4	2%	0.021	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	138.7	177.7	-65.8	160.7	0	0	0	108.3	M457 L459 F474 G475 T512 L514 L526	M457-L503 HydrophobicContact CG-CD1 4.09Å; L459-L503 HydrophobicContact CD1-CB 3.87Å; L459-L503 HydrophobicContact CD1-CD1 3.87Å; L459-L503 HydrophobicContact CD1-CG 4.42Å; F474-L503 CarbonylContact C-O 3.58Å; F474-L503 WeakPolarHBondContact CA-O 3.43Å; G475-L503 PolarHBondContact N-O 3.01Å; G475-L503 PolarHBondContact O-N 2.66Å; L503-T512 HydrophobicContact CD2-CG2 3.64Å; L503-L514 HydrophobicContact CD1-CD2 4.37Å; L503-L514 HydrophobicContact CD2-CB 3.69Å; L503-L514 HydrophobicContact CD2-CD2 4.09Å; L503-L514 HydrophobicContact CD2-CG 4.47Å; L503-L514 HydrophobicContact CG-CD2 4.38Å; L503-L526 HydrophobicContact CD1-CD1 3.89Å
504	S	89.9	Confident	82.7	Confident	44 Å²	44	58.9 Å²	58.9	31%	0.308	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	123.3	178.2	62.8	0	0	0	0	111.6	V473 T512	V473-S504 WeakPolarHBondContact O-CA 3.39Å; S504-T512 PolarHBondContact O-OG1 3.37Å
505	V	89.6	Confident	83.6	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	135.4	174.2	-66.7	0	0	0	0	109.9	L459 L461 T472 V473 T512	L459-V505 HydrophobicContact CB-CG1 3.99Å; L461-V505 HydrophobicContact CB-CB 4.15Å; L461-V505 HydrophobicContact CB-CG2 3.99Å; T472-V505 WeakPolarHBondContact CA-O 3.45Å; T472-V505 WeakPolarHBondContact CG2-O 3.47Å; V473-V505 HydrophobicContact CB-CG2 3.71Å; V473-V505 HydrophobicContact CG2-CG2 4.45Å; V473-V505 PolarHBondContact N-O 3.49Å; V473-V505 PolarHBondContact O-N 3.37Å; V505-T512 WeakPolarHBondContact CG1-OG1 3.06Å
506	N	87.7	Confident	84.8	Confident	41 Å²	41	54.3 Å²	54.3	22%	0.219	31%	0.314	C	S	.	.			trans	-137.5	-172.8	178.6	67	7.4	0	0	0	109.6	T472 S508 S509 N510	T472-N506 HydrophobicContact CG2-CB 4.16Å; N506-S508 PolarHBondContact ND2-OG 3.22Å; N506-S508 PolarHBondContact O-N 3.02Å; N506-S508 PolarHBondContact OD1-N 2.91Å; N506-S508 VanDerWaalsContact OD1-N 3.16Å; N506-S508 PolarHBondContact OD1-OG 3.02Å; N506-S508 VanDerWaalsContact OD1-OG 3.1Å; N506-S509 PolarHBondContact N-O 3.06Å; N506-S509 VanDerWaalsContact N-O 3.1Å; N506-S509 CarbonylContact O-C 3.56Å; N506-S509 VanDerWaalsContact O-C 3.28Å; N506-S509 WeakPolarHBondContact OD1-CA 3.38Å; N506-S509 PolarHBondContact OD1-N 2.85Å; N506-S509 PolarHBondContact OD1-O 3.3Å; N506-S509 PolarHBondContact OD1-OG 2.98Å; N506-N510 VanDerWaalsContact O-CA 3.27Å; N506-N510 WeakPolarHBondContact O-CA 3.16Å; N506-N510 PolarHBondContact O-N 3.37Å
507	V	83	Confident	86.3	Confident	70 Å²	70	46.1 Å²	46.1	42%	0.424	28%	0.276	S	S	.	.	S	Bend	trans	-66.3	-34.7	-179.2	-178.5	0	0	0	0	112.6	L463 L466	L463-V507 HydrophobicContact CD2-CB 4.46Å; L463-V507 HydrophobicContact CD2-CG1 4.19Å; L466-V507 HydrophobicContact CD1-CG2 4.07Å
508	S	84.6	Confident	87.9	Confident	110 Å²	110	41.8 Å²	41.8	77%	0.769	25%	0.245	S	C	*	.	S	Bend	trans	-83	-38.6	-176.9	54.3	0	0	0	0	113.7	N506	N506-S508 PolarHBondContact ND2-OG 3.22Å; N506-S508 PolarHBondContact O-N 3.02Å; N506-S508 PolarHBondContact OD1-N 2.91Å; N506-S508 VanDerWaalsContact OD1-N 3.16Å; N506-S508 PolarHBondContact OD1-OG 3.02Å; N506-S508 VanDerWaalsContact OD1-OG 3.1Å
509	S	85.1	Confident	89.1	Confident	54 Å²	54	39.3 Å²	39.3	38%	0.378	23%	0.23	S	C	.	.	S	Bend	trans	-115	82.6	169.9	58.6	0	0	0	0	109	N506 I511	N506-S509 PolarHBondContact N-O 3.06Å; N506-S509 VanDerWaalsContact N-O 3.1Å; N506-S509 CarbonylContact O-C 3.56Å; N506-S509 VanDerWaalsContact O-C 3.28Å; N506-S509 WeakPolarHBondContact OD1-CA 3.38Å; N506-S509 PolarHBondContact OD1-N 2.85Å; N506-S509 PolarHBondContact OD1-O 3.3Å; N506-S509 PolarHBondContact OD1-OG 2.98Å; S509-I511 PolarHBondContact O-N 2.83Å
510	N	88.6	Confident	89.9	Confident	54 Å²	54	37.9 Å²	37.9	29%	0.289	21%	0.211	S	C	.	.			trans	-74.3	-9.2	-177.1	65.7	-2	0	0	0	114.1	K460 L461 L463 N506	K460-N510 CarbonylContact C-O 3.51Å; K460-N510 VanDerWaalsContact CA-O 3.28Å; K460-N510 WeakPolarHBondContact CA-O 3.34Å; L461-N510 PolarHBondContact N-O 2.87Å; L463-N510 HydrophobicContact CD2-CB 4.4Å; N506-N510 VanDerWaalsContact O-CA 3.27Å; N506-N510 WeakPolarHBondContact O-CA 3.16Å; N506-N510 PolarHBondContact O-N 3.37Å
511	I	91.5	Very high	90.2	Very high	67 Å²	67	38.5 Å²	38.5	34%	0.344	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	133.4	-179.9	-63.3	164	0	0	0	109.7	E458 L459 K460 S509 K513	E458-I511 HydrophobicContact CG-CG2 4.28Å; L459-I511 WeakPolarHBondContact O-CA 3.43Å; K460-I511 HydrophobicContact CB-CG1 3.96Å; K460-I511 HydrophobicContact CD-CD1 4.11Å; K460-I511 HydrophobicContact CD-CG1 4.01Å; K460-I511 HydrophobicContact CG-CD1 4.35Å; K460-I511 HydrophobicContact CG-CG1 3.7Å; S509-I511 PolarHBondContact O-N 2.83Å; I511-K513 HydrophobicContact CG2-CG 4.31Å
512	T	92.4	Very high	90.2	Very high	29 Å²	29	37 Å²	37	18%	0.178	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	136.4	169.7	-51.9	0	0	0	0	109.5	E458 L459 L503 S504 V505	E458-T512 WeakPolarHBondContact CA-O 3.32Å; L459-T512 PolarHBondContact N-O 3.35Å; L459-T512 PolarHBondContact O-N 2.82Å; L503-T512 HydrophobicContact CD2-CG2 3.64Å; S504-T512 PolarHBondContact O-OG1 3.37Å; V505-T512 WeakPolarHBondContact CG1-OG1 3.06Å
513	K	92.9	Very high	90.3	Very high	83 Å²	83	34.9 Å²	34.9	36%	0.361	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	150.3	175.9	-65.1	-178.8	179.3	-173.8	0	109.2	D152 M457 E458 I511	D152-K513 HydrophobicContact CB-CB 4.19Å; D152-K513 WeakPolarHBondContact CB-O 3.41Å; M457-K513 CarbonylContact O-C 3.44Å; M457-K513 WeakPolarHBondContact O-CA 3.13Å; E458-K513 HydrophobicContact CB-CG 4.42Å; E458-K513 HydrophobicContact CG-CG 4.15Å; E458-K513 WeakPolarHBondContact OE1-CE 3.42Å; E458-K513 IonicContact OE1-NZ 2.98Å; I511-K513 HydrophobicContact CG2-CG 4.31Å
514	L	93.4	Very high	90.5	Very high	15 Å²	15	35.3 Å²	35.3	8%	0.079	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	127.4	175.1	172.6	70.6	0	0	0	108.6	V154 M457 L477 F501 L503 I516	V154-L514 HydrophobicContact CG2-CD1 3.42Å; V154-L514 VanDerWaalsContact CG2-CD1 3.42Å; M457-L514 HydrophobicContact CB-CB 4.3Å; M457-L514 PolarHBondContact N-O 3.02Å; M457-L514 PolarHBondContact O-N 3.49Å; L477-L514 HydrophobicContact CD2-CD2 3.79Å; F501-L514 HydrophobicContact CB-CD2 3.64Å; F501-L514 HydrophobicContact CG-CD2 4.13Å; L503-L514 HydrophobicContact CD1-CD2 4.37Å; L503-L514 HydrophobicContact CD2-CB 3.69Å; L503-L514 HydrophobicContact CD2-CD2 4.09Å; L503-L514 HydrophobicContact CD2-CG 4.47Å; L503-L514 HydrophobicContact CG-CD2 4.38Å; L514-I516 HydrophobicContact CD2-CD1 4.19Å; L514-I516 HydrophobicContact CD2-CG1 4.48Å; L514-I516 HydrophobicContact CG-CD1 4.46Å; L514-I516 HydrophobicContact CG-CG1 4.22Å
515	R	93.9	Very high	90.5	Very high	28 Å²	28	34.1 Å²	34.1	11%	0.106	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	122.4	178.7	-53.3	-175.3	171.9	93.3	-4.9	109.4	R151 D152 T153 V154 V454 L455 N456 P517 N559	R151-R515 PolarHBondContact O-NH1 3.21Å; D152-R515 PolarHBondContact O-N 3.06Å; D152-R515 IonicContact OD2-NH1 3.65Å; T153-R515 HydrophobicContact CG2-CB 4.49Å; V154-R515 PolarHBondContact N-O 3.37Å; V454-R515 HydrophobicContact CG1-CB 4.23Å; L455-R515 WeakPolarHBondContact O-CA 3.35Å; N456-R515 WeakPolarHBondContact OD1-CG 3.27Å; R515-P517 WeakPolarHBondContact O-CD 2.86Å; R515-N559 PolarHBondContact NH2-OD1 3.16Å; R515-N559 VanDerWaalsContact NH2-OD1 3.1Å
516	I	93.6	Very high	90.6	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.015	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	97.8	178.1	-56.9	170	0	0	0	107.3	L455 L477 F501 L514 P519 W524	L455-I516 HydrophobicContact CB-CB 4.39Å; L455-I516 HydrophobicContact CD2-CD1 4.43Å; L455-I516 PolarHBondContact N-O 3.02Å; L455-I516 PolarHBondContact O-N 2.93Å; L477-I516 HydrophobicContact CD2-CD1 3.88Å; F501-I516 HydrophobicContact CD2-CD1 3.57Å; F501-I516 HydrophobicContact CD2-CG1 4.46Å; F501-I516 HydrophobicContact CE2-CD1 3.53Å; F501-I516 HydrophobicContact CE2-CG1 4.25Å; F501-I516 HydrophobicContact CG-CD1 4.38Å; F501-I516 HydrophobicContact CZ-CD1 4.35Å; L514-I516 HydrophobicContact CD2-CD1 4.19Å; L514-I516 HydrophobicContact CD2-CG1 4.48Å; L514-I516 HydrophobicContact CG-CD1 4.46Å; L514-I516 HydrophobicContact CG-CG1 4.22Å; I516-P519 HydrophobicContact CG2-CB 4.12Å; I516-W524 HydrophobicContact CD1-CH2 4.25Å; I516-W524 HydrophobicContact CD1-CZ3 4.11Å
517	P	93.4	Very high	90.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	137.8	173.5	27	-30	0	0	0	109.7	V141 T153 V154 V454 R515 W589	V141-P517 HydrophobicContact CG1-CG 3.97Å; V141-P517 HydrophobicContact CG2-CB 4.22Å; V141-P517 HydrophobicContact CG2-CG 3.91Å; T153-P517 HydrophobicContact CG2-CG 3.98Å; V154-P517 WeakPolarHBondContact O-CD 3.37Å; V154-P517 WeakPolarHBondContact O-CG 3.39Å; V454-P517 HydrophobicContact CG2-CB 4.46Å; R515-P517 WeakPolarHBondContact O-CD 2.86Å; P517-W589 HydrophobicContact CB-CE3 4.44Å; P517-W589 HydrophobicContact CB-CZ3 3.98Å
518	Y	93.1	Very high	90.9	Very high	4 Å²	4	29 Å²	29	2%	0.016	17%	0.166	C	C	.	.	S	Bend	trans	47.7	67.1	-177.9	-53.1	-41.2	0	0	0	112.1	F90 R135 A138 P139 V141 S451 G452 G453 A578 W589	F90-Y518 AromaticContact CD1-CE2 3.98Å; F90-Y518 HydrophobicContact CD1-CE2 3.98Å; F90-Y518 AromaticContact CD1-CZ 3.95Å; F90-Y518 WeakPolarHBondContact CD1-OH 3.39Å; F90-Y518 AromaticContact CE1-CE2 3.44Å; F90-Y518 HydrophobicContact CE1-CE2 3.44Å; F90-Y518 VanDerWaalsContact CE1-CE2 3.44Å; F90-Y518 AromaticContact CE1-CZ 3.6Å; F90-Y518 WeakPolarHBondContact CE1-OH 3.38Å; F90-Y518 HydrophobicContact CE2-CE2 4.07Å; F90-Y518 HydrophobicContact CG-CE2 4.5Å; F90-Y518 HydrophobicContact CZ-CD2 4.37Å; F90-Y518 AromaticContact CZ-CE2 3.49Å; F90-Y518 HydrophobicContact CZ-CE2 3.49Å; F90-Y518 VanDerWaalsContact CZ-CE2 3.49Å; R135-Y518 PolarHBondContact NH1-O 2.97Å; R135-Y518 PolarHBondContact NH2-O 3.03Å; A138-Y518 WeakPolarHBondContact CB-O 3.22Å; P139-Y518 HydrophobicContact CB-CD2 3.79Å; P139-Y518 HydrophobicContact CB-CE2 4.31Å; P139-Y518 HydrophobicContact CB-CG 3.93Å; P139-Y518 HydrophobicContact CG-CG 4.25Å; V141-Y518 HydrophobicContact CG2-CD2 4.05Å; S451-Y518 VanDerWaalsContact O-CA 3.31Å; S451-Y518 WeakPolarHBondContact O-CA 3.3Å; S451-Y518 WeakPolarHBondContact O-CD1 3.33Å; G452-Y518 WeakPolarHBondContact O-CE1 3.46Å; G453-Y518 WeakPolarHBondContact O-CA 2.92Å; G453-Y518 PolarHBondContact O-N 2.03Å; Y518-A578 PolarHBondContact OH-O 2.72Å; Y518-W589 AromaticContact CD2-CH2 3.87Å; Y518-W589 HydrophobicContact CD2-CH2 3.87Å; Y518-W589 HydrophobicContact CD2-CZ3 4.14Å; Y518-W589 AromaticContact CE2-CH2 3.39Å; Y518-W589 HydrophobicContact CE2-CH2 3.39Å; Y518-W589 AromaticContact CE2-CZ3 3.61Å; Y518-W589 HydrophobicContact CE2-CZ3 3.61Å
519	P	93.4	Very high	91	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-67.2	150.9	179.3	31.7	-36.9	0	0	0	110.8	L445 S451 G453 L455 I516 W524 L554	L445-P519 HydrophobicContact CD1-CB 3.67Å; L445-P519 HydrophobicContact CD1-CG 3.65Å; S451-P519 WeakPolarHBondContact CA-O 3.03Å; S451-P519 VanDerWaalsContact CB-O 3.3Å; S451-P519 WeakPolarHBondContact CB-O 3.2Å; G453-P519 WeakPolarHBondContact O-CD 3.45Å; L455-P519 HydrophobicContact CB-CB 4.12Å; L455-P519 HydrophobicContact CB-CG 3.99Å; I516-P519 HydrophobicContact CG2-CB 4.12Å; P519-W524 HydrophobicContact CB-CZ2 4.24Å; P519-L554 HydrophobicContact CG-CD1 4.4Å
520	Q	91.4	Very high	91	Very high	41 Å²	41	23.8 Å²	23.8	19%	0.192	12%	0.122	C	C	.	.	P	Polyproline II helix	trans	-65.8	144.6	171	-68.4	-173.3	-5.6	0	0	110.6	S136 A138 H479 W524	S136-Q520 PolarHBondContact O-NE2 3.4Å; S136-Q520 VanDerWaalsContact O-NE2 3.1Å; A138-Q520 HydrophobicContact CB-CG 4.18Å; H479-Q520 PolarHBondContact ND1-OE1 3.27Å; Q520-W524 HydrophobicContact CB-CZ2 4.27Å; Q520-W524 PolarHBondContact O-NE1 3.29Å
521	T	89.6	Confident	90.9	Very high	27 Å²	27	21.2 Å²	21.2	17%	0.166	11%	0.108	C	C	.	.	S	Bend	trans	-74.2	154.7	179.8	59.8	0	0	0	0	111	P447 H479	P447-T521 HydrophobicContact CB-CG2 4.39Å; H479-T521 PolarHBondContact NE2-O 2.87Å
522	G	89.6	Confident	90.6	Very high	23 Å²	23	19.1 Å²	19.1	24%	0.237	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	102.8	-167.3	-176.7	0	0	0	0	0	113.6	L445	L445-G522 PolarHBondContact N-O 3.34Å; L445-G522 PolarHBondContact O-N 2.88Å
523	T	90.4	Very high	90	Very high	36 Å²	36	19.5 Å²	19.5	22%	0.221	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	125.2	-171.4	-49	0	0	0	0	112.1	A442 I443 G480 Y525	A442-T523 HydrophobicContact CB-CG2 3.92Å; I443-T523 CarbonylContact O-C 3.57Å; I443-T523 WeakPolarHBondContact O-CA 3.14Å; G480-T523 PolarHBondContact N-O 3.44Å; T523-Y525 HydrophobicContact CG2-CD2 4.29Å; T523-Y525 HydrophobicContact CG2-CE1 3.99Å; T523-Y525 HydrophobicContact CG2-CE2 3.68Å
524	W	92.5	Very high	89.3	Confident	12 Å²	12	18.4 Å²	18.4	5%	0.045	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	138.7	169.3	-70.9	76.3	0	0	0	110	A442 I443 L477 N478 H479 F501 I516 P519 Q520	A442-W524 CarbonylContact C-O 3.57Å; A442-W524 WeakPolarHBondContact CA-O 3.2Å; I443-W524 HydrophobicContact CB-CB 4.28Å; I443-W524 PolarHBondContact N-O 2.68Å; I443-W524 PolarHBondContact O-N 3.17Å; L477-W524 HydrophobicContact CD1-CB 4.23Å; L477-W524 HydrophobicContact CD1-CE3 4.23Å; L477-W524 HydrophobicContact CD2-CE3 4.33Å; L477-W524 HydrophobicContact CG-CE3 3.93Å; L477-W524 HydrophobicContact CG-CZ3 4.43Å; N478-W524 CarbonylContact O-C 3.5Å; N478-W524 WeakPolarHBondContact O-CA 3.26Å; H479-W524 HydrophobicContact CB-CD2 4.14Å; H479-W524 HydrophobicContact CB-CE3 4.13Å; H479-W524 HydrophobicContact CB-CH2 4.07Å; H479-W524 HydrophobicContact CB-CZ2 4.07Å; H479-W524 HydrophobicContact CB-CZ3 4.1Å; H479-W524 AromaticContact CD2-CD1 3.98Å; H479-W524 AromaticContact CD2-CE2 3.73Å; H479-W524 AromaticContact CD2-NE1 3.54Å; F501-W524 AromaticContact CD2-CZ3 3.94Å; F501-W524 HydrophobicContact CD2-CZ3 3.94Å; F501-W524 AromaticContact CE2-CH2 3.87Å; F501-W524 HydrophobicContact CE2-CH2 3.87Å; F501-W524 AromaticContact CE2-CZ3 3.7Å; F501-W524 HydrophobicContact CE2-CZ3 3.7Å; I516-W524 HydrophobicContact CD1-CH2 4.25Å; I516-W524 HydrophobicContact CD1-CZ3 4.11Å; P519-W524 HydrophobicContact CB-CZ2 4.24Å; Q520-W524 HydrophobicContact CB-CZ2 4.27Å; Q520-W524 PolarHBondContact O-NE1 3.29Å
525	Y	90.5	Very high	88.2	Confident	19 Å²	19	26.9 Å²	26.9	8%	0.075	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	125.1	-179.7	-64.6	-87.7	0	0	0	110.1	W309 I408 V440 F441 A442 L477 N478 G480 M481 P482 T523	W309-Y525 HydrophobicContact CE3-CE2 4.45Å; W309-Y525 HydrophobicContact CZ3-CE1 4.05Å; W309-Y525 AromaticContact CZ3-CZ 3.92Å; I408-Y525 HydrophobicContact CD1-CD1 4.36Å; I408-Y525 HydrophobicContact CD1-CE1 3.85Å; I408-Y525 HydrophobicContact CG2-CD1 4.23Å; I408-Y525 HydrophobicContact CG2-CE1 4.06Å; V440-Y525 HydrophobicContact CG1-CD1 4.42Å; F441-Y525 CarbonylContact O-C 3.53Å; F441-Y525 WeakPolarHBondContact O-CA 3.27Å; A442-Y525 HydrophobicContact CB-CD1 4.1Å; A442-Y525 HydrophobicContact CB-CE1 3.89Å; L477-Y525 WeakPolarHBondContact CA-O 3.36Å; N478-Y525 PolarHBondContact N-O 3.33Å; N478-Y525 PolarHBondContact O-N 2.03Å; G480-Y525 VanDerWaalsContact C-CE2 3.48Å; G480-Y525 WeakPolarHBondContact O-CE2 3.41Å; M481-Y525 VanDerWaalsContact C-CD2 3.5Å; P482-Y525 HydrophobicContact CB-CD1 4.4Å; P482-Y525 HydrophobicContact CB-CG 4.21Å; T523-Y525 HydrophobicContact CG2-CD2 4.29Å; T523-Y525 HydrophobicContact CG2-CE1 3.99Å; T523-Y525 HydrophobicContact CG2-CE2 3.68Å
526	L	91.6	Very high	86.9	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	117.1	169.2	179.8	75	0	0	0	109.1	V440 F441 M457 L459 C476 L477 L503 L528 M550	V440-L526 CarbonylContact C-O 3.22Å; V440-L526 WeakPolarHBondContact CA-O 3.23Å; F441-L526 PolarHBondContact N-O 2.9Å; F441-L526 PolarHBondContact O-N 2.64Å; M457-L526 HydrophobicContact CE-CD1 4.44Å; M457-L526 HydrophobicContact CE-CD2 3.28Å; M457-L526 HydrophobicContact CE-CG 4.44Å; M457-L526 HydrophobicContact SD-CD2 4.42Å; L459-L526 HydrophobicContact CD2-CD2 4.34Å; C476-L526 WeakPolarHBondContact O-CA 3.43Å; L477-L526 HydrophobicContact CB-CD1 4.01Å; L477-L526 HydrophobicContact CD1-CB 4.12Å; L477-L526 HydrophobicContact CD1-CD1 4.47Å; L503-L526 HydrophobicContact CD1-CD1 3.89Å; L526-L528 HydrophobicContact CD1-CD2 4.08Å; L526-L528 HydrophobicContact CD2-CD1 4.08Å; L526-L528 HydrophobicContact CD2-CD2 3.83Å; L526-L528 HydrophobicContact CD2-CG 3.93Å; L526-L528 HydrophobicContact CG-CD2 3.9Å; L526-L528 HydrophobicContact CG-CG 4.06Å; L526-M550 HydrophobicContact CB-CE 4.49Å; L526-M550 HydrophobicContact CD2-CE 3.53Å; L526-M550 HydrophobicContact CD2-CG 4.42Å; L526-M550 HydrophobicContact CD2-SD 4.43Å
527	S	88.9	Confident	86	Confident	4 Å²	4	35.6 Å²	35.6	3%	0.028	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	134.2	167.4	64.9	0	0	0	0	110	A439 G475 C476 L483	A439-S527 CarbonylContact O-C 3.24Å; A439-S527 WeakPolarHBondContact O-CA 3.49Å; G475-S527 CarbonylContact C-O 3.52Å; G475-S527 WeakPolarHBondContact CA-O 3.33Å; C476-S527 WeakPolarHBondContact CB-OG 3.33Å; C476-S527 PolarHBondContact N-O 3.02Å; C476-S527 PolarHBondContact O-N 2.92Å; C476-S527 PolarHBondContact O-OG 3.33Å; L483-S527 VanDerWaalsContact O-CB 3.25Å; L483-S527 WeakPolarHBondContact O-CB 3.28Å; L483-S527 PolarHBondContact O-OG 2.64Å
528	L	88.3	Confident	85.3	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	134.1	177.9	-60.4	178.3	0	0	0	109.9	I433 A438 A439 F441 L459 F474 L526	I433-L528 HydrophobicContact CD1-CB 3.73Å; I433-L528 HydrophobicContact CD1-CD1 3.97Å; I433-L528 HydrophobicContact CD1-CG 4.46Å; I433-L528 HydrophobicContact CG1-CB 4.46Å; A438-L528 CarbonylContact C-O 3.52Å; A438-L528 VanDerWaalsContact CA-O 3.31Å; A438-L528 WeakPolarHBondContact CA-O 3.5Å; A439-L528 HydrophobicContact CB-CB 4.48Å; A439-L528 PolarHBondContact N-O 3.44Å; A439-L528 PolarHBondContact O-N 2.86Å; F441-L528 HydrophobicContact CD2-CD1 4.45Å; F441-L528 HydrophobicContact CE2-CD1 4.07Å; L459-L528 HydrophobicContact CD1-CD2 3.83Å; L459-L528 HydrophobicContact CD2-CD1 4.41Å; L459-L528 HydrophobicContact CD2-CD2 4.36Å; F474-L528 CarbonylContact O-C 3.59Å; F474-L528 WeakPolarHBondContact O-CA 3.48Å; L526-L528 HydrophobicContact CD1-CD2 4.08Å; L526-L528 HydrophobicContact CD2-CD1 4.08Å; L526-L528 HydrophobicContact CD2-CD2 3.83Å; L526-L528 HydrophobicContact CD2-CG 3.93Å; L526-L528 HydrophobicContact CG-CD2 3.9Å; L526-L528 HydrophobicContact CG-CG 4.06Å
529	R	86.4	Confident	84.6	Confident	53 Å²	53	43 Å²	43	20%	0.2	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	133.8	177	-172.2	174.7	178.3	-156.1	-11.7	110.1	F474 L485 N488 L531	F474-R529 PolarHBondContact N-O 3.44Å; F474-R529 PolarHBondContact O-N 3.01Å; L485-R529 PolarHBondContact O-NH1 3.41Å; N488-R529 PolarHBondContact OD1-NH2 3.11Å; N488-R529 VanDerWaalsContact OD1-NH2 3.09Å; R529-L531 HydrophobicContact CG-CD2 4.43Å
530	S	85.9	Confident	83.8	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.007	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	129.5	174.2	54	0	0	0	0	110.8
531	L	85.6	Confident	83.1	Confident	1 Å²	1	44 Å²	44	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	149	173.7	-61	176	0	0	0	110.1	T472 F474 L491 R529 F538 E539	T472-L531 PolarHBondContact N-O 2.98Å; T472-L531 PolarHBondContact O-N 3.33Å; T472-L531 VanDerWaalsContact O-O 3.04Å; F474-L531 HydrophobicContact CD2-CB 4.14Å; F474-L531 HydrophobicContact CD2-CD1 3.74Å; F474-L531 HydrophobicContact CD2-CG 4.06Å; F474-L531 HydrophobicContact CE2-CB 3.92Å; F474-L531 HydrophobicContact CE2-CD1 3.8Å; F474-L531 HydrophobicContact CE2-CG 4.23Å; L491-L531 HydrophobicContact CD2-CD1 4.16Å; R529-L531 HydrophobicContact CG-CD2 4.43Å; L531-F538 HydrophobicContact CB-CB 4.13Å; L531-F538 HydrophobicContact CB-CD1 4.16Å; L531-F538 HydrophobicContact CD1-CB 4.02Å; L531-E539 CarbonylContact C-O 3.57Å; L531-E539 WeakPolarHBondContact CA-O 3.22Å
532	C	85.3	Confident	82.5	Confident	23 Å²	23	48.7 Å²	48.7	16%	0.155	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	134.4	178.3	-79.7	0	0	0	0	109.2	F538 E539 C541	C532-F538 WeakPolarHBondContact O-CA 3.49Å; C532-E539 PolarHBondContact N-O 3.41Å; C532-E539 PolarHBondContact O-N 3.31Å; C532-C541 VanDerWaalsContact CA-SG 3.54Å; C532-C541 HydrophobicContact CB-CB 4.12Å; C532-C541 WeakPolarHBondContact CB-SG 3.3Å; C532-C541 PolarHBondContact N-SG 3.18Å; C532-C541 WeakPolarHBondContact SG-CB 3.5Å; C532-C541 CovalentContact SG-SG 2.04Å; C532-C541 PolarHBondContact SG-SG 2.83Å
533	A	80.7	Confident	81.8	Confident	37 Å²	37	55.3 Å²	55.3	31%	0.306	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	125.9	177.1	0	0	0	0	0	110.2	N470 F538	N470-A533 PolarHBondContact O-N 3.09Å; A533-F538 HydrophobicContact CB-CD1 4.35Å; A533-F538 HydrophobicContact CB-CE1 4.02Å
534	T	77.7	Confident	81.1	Confident	59 Å²	59	55.2 Å²	55.2	36%	0.362	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	168.4	174.1	64	0	0	0	0	109.8	H536 G537 E539	T534-H536 PolarHBondContact O-N 3.36Å; T534-H536 VanDerWaalsContact O-N 3.1Å; T534-G537 PolarHBondContact N-O 2.81Å; T534-G537 PolarHBondContact O-N 2.68Å; T534-G537 VanDerWaalsContact O-N 3.17Å; T534-G537 VanDerWaalsContact O-O 3.14Å; T534-G537 PolarHBondContact OG1-O 2.76Å; T534-E539 HydrophobicContact CG2-CB 4.4Å; T534-E539 HydrophobicContact CG2-CG 4.46Å
535	E	70.8	Confident	80.6	Confident	194 Å²	194	58.3 Å²	58.3	91%	0.907	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-19.3	179.3	-65.4	-170.5	164.9	0	0	113.5
536	H	66.9	Low	80.3	Confident	180 Å²	180	57.4 Å²	57.4	83%	0.833	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	4.9	-179.7	-61.2	-46.3	0	0	0	114.2	T534	T534-H536 PolarHBondContact O-N 3.36Å; T534-H536 VanDerWaalsContact O-N 3.1Å
537	G	74.5	Confident	80.2	Confident	33 Å²	33	60.6 Å²	60.6	34%	0.34	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	137.3	-140.3	176.8	0	0	0	0	0	113.9	T534	T534-G537 PolarHBondContact N-O 2.81Å; T534-G537 PolarHBondContact O-N 2.68Å; T534-G537 VanDerWaalsContact O-N 3.17Å; T534-G537 VanDerWaalsContact O-O 3.14Å; T534-G537 PolarHBondContact OG1-O 2.76Å
538	F	78.4	Confident	80.2	Confident	56 Å²	56	60.4 Å²	60.4	25%	0.246	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	132.6	177.9	-71.8	-87.1	0	0	0	110.4	F474 N488 L491 L531 C532 A533	F474-F538 AromaticContact CE2-CD1 3.78Å; F474-F538 HydrophobicContact CE2-CD1 3.78Å; F474-F538 AromaticContact CE2-CE1 3.93Å; F474-F538 HydrophobicContact CE2-CE1 3.93Å; F474-F538 HydrophobicContact CE2-CG 4.25Å; F474-F538 AromaticContact CZ-CD1 3.92Å; F474-F538 HydrophobicContact CZ-CD1 3.92Å; F474-F538 AromaticContact CZ-CE1 3.62Å; F474-F538 HydrophobicContact CZ-CE1 3.62Å; F474-F538 HydrophobicContact CZ-CE2 4.32Å; F474-F538 HydrophobicContact CZ-CG 4.37Å; F474-F538 AromaticContact CZ-CZ 3.83Å; F474-F538 HydrophobicContact CZ-CZ 3.83Å; N488-F538 WeakPolarHBondContact CB-O 3.29Å; L491-F538 HydrophobicContact CD1-CD2 3.5Å; L491-F538 HydrophobicContact CD1-CE2 3.38Å; L491-F538 HydrophobicContact CD1-CG 4.3Å; L491-F538 HydrophobicContact CD1-CZ 4.1Å; L491-F538 HydrophobicContact CG-CD2 4.31Å; L531-F538 HydrophobicContact CB-CB 4.13Å; L531-F538 HydrophobicContact CB-CD1 4.16Å; L531-F538 HydrophobicContact CD1-CB 4.02Å; C532-F538 WeakPolarHBondContact O-CA 3.49Å; A533-F538 HydrophobicContact CB-CD1 4.35Å; A533-F538 HydrophobicContact CB-CE1 4.02Å
539	E	78.3	Confident	80.3	Confident	105 Å²	105	64 Å²	64	49%	0.491	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	164.2	177.5	-69	-176.8	175.7	0	0	111.4	L531 C532 T534 C541	L531-E539 CarbonylContact C-O 3.57Å; L531-E539 WeakPolarHBondContact CA-O 3.22Å; C532-E539 PolarHBondContact N-O 3.41Å; C532-E539 PolarHBondContact O-N 3.31Å; T534-E539 HydrophobicContact CG2-CB 4.4Å; T534-E539 HydrophobicContact CG2-CG 4.46Å; E539-C541 PolarHBondContact O-N 3.11Å
540	A	77	Confident	80.5	Confident	52 Å²	52	62 Å²	62	43%	0.43	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	128.7	173.8	0	0	0	0	0	109.3
541	C	76.6	Confident	80.8	Confident	8 Å²	8	66.6 Å²	66.6	5%	0.054	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-64.3	144.1	-179.7	-65.1	0	0	0	0	111.4	P435 C532 E539 V544	P435-C541 HydrophobicContact CB-CB 4.16Å; P435-C541 WeakPolarHBondContact CB-O 3.36Å; C532-C541 VanDerWaalsContact CA-SG 3.54Å; C532-C541 HydrophobicContact CB-CB 4.12Å; C532-C541 WeakPolarHBondContact CB-SG 3.3Å; C532-C541 PolarHBondContact N-SG 3.18Å; C532-C541 WeakPolarHBondContact SG-CB 3.5Å; C532-C541 CovalentContact SG-SG 2.04Å; C532-C541 PolarHBondContact SG-SG 2.83Å; E539-C541 PolarHBondContact O-N 3.11Å; C541-V544 HydrophobicContact CB-CB 4.28Å
542	T	76.9	Confident	81.2	Confident	126 Å²	126	66.7 Å²	66.7	77%	0.773	36%	0.357	S	S	*	.	S	Bend	trans	-93.5	118.4	171.9	47.5	0	0	0	0	109.9	V544	T542-V544 PolarHBondContact O-N 3.38Å
543	N	74.3	Confident	81.6	Confident	163 Å²	163	67.8 Å²	67.8	87%	0.872	36%	0.358	S	S	*	.	S	Bend	trans	55.8	22.8	174.1	-65.5	-17.7	0	0	0	117.1
544	V	76.8	Confident	82.2	Confident	34 Å²	34	66 Å²	66	21%	0.206	34%	0.344	C	S	.	.			trans	-110.9	120.4	173.1	-175.5	0	0	0	0	109.2	P435 L466 A469 L471 C541 T542	P435-V544 WeakPolarHBondContact CD-O 3.49Å; L466-V544 HydrophobicContact CD2-CG1 4.42Å; A469-V544 HydrophobicContact CB-CG2 4.33Å; L471-V544 HydrophobicContact CD1-CB 4.25Å; L471-V544 HydrophobicContact CD1-CG1 3.59Å; C541-V544 HydrophobicContact CB-CB 4.28Å; T542-V544 PolarHBondContact O-N 3.38Å
545	T	81.6	Confident	83	Confident	77 Å²	77	64.3 Å²	64.3	47%	0.472	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-97	131.7	171	53.4	0	0	0	0	108.6	I433	I433-T545 WeakPolarHBondContact O-CA 3.5Å
546	A	84.4	Confident	84.1	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	127.6	177.5	0	0	0	0	0	109.7	I433 L461 L471 V473	I433-A546 PolarHBondContact N-O 2.98Å; I433-A546 PolarHBondContact O-N 3.18Å; L461-A546 HydrophobicContact CD1-CB 4.39Å; L471-A546 HydrophobicContact CD1-CB 3.99Å; L471-A546 HydrophobicContact CD2-CB 3.62Å; V473-A546 HydrophobicContact CG2-CB 3.67Å
547	E	88	Confident	85.3	Confident	67 Å²	67	48 Å²	48	31%	0.313	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	122.9	168.5	-78.7	-176.4	-176.5	0	0	110.7	I431 N462 T465	I431-E547 WeakPolarHBondContact O-CA 3.06Å; N462-E547 HydrophobicContact CB-CB 3.91Å; N462-E547 WeakPolarHBondContact CB-O 3.26Å; N462-E547 PolarHBondContact N-O 3.19Å; N462-E547 PolarHBondContact ND2-OE2 3.35Å; N462-E547 VanDerWaalsContact ND2-OE2 3.07Å; T465-E547 HydrophobicContact CG2-CB 3.83Å; T465-E547 VanDerWaalsContact CG2-CD 3.42Å; T465-E547 HydrophobicContact CG2-CG 3.76Å; T465-E547 VanDerWaalsContact CG2-OE2 3.3Å; T465-E547 WeakPolarHBondContact CG2-OE2 3.41Å
548	V	89.4	Confident	86	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	125	178.1	-178.8	0	0	0	0	109.6	I431 I433 L459 K460 L461 V473	I431-V548 PolarHBondContact N-O 3.27Å; I431-V548 PolarHBondContact O-N 3.14Å; I433-V548 HydrophobicContact CD1-CB 4.24Å; I433-V548 HydrophobicContact CD1-CG2 3.79Å; L459-V548 HydrophobicContact CB-CG1 4.24Å; L459-V548 HydrophobicContact CD2-CG1 3.99Å; K460-V548 CarbonylContact O-C 3.55Å; K460-V548 WeakPolarHBondContact O-CA 3.45Å; L461-V548 HydrophobicContact CD1-CG2 3.89Å; V473-V548 HydrophobicContact CB-CG2 4.21Å; V473-V548 HydrophobicContact CG1-CG2 4.13Å; V473-V548 HydrophobicContact CG2-CG2 3.81Å
549	Y	90.7	Very high	86.4	Confident	75 Å²	75	47.7 Å²	47.7	29%	0.294	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	118.8	167.7	177.2	-90.1	0	0	0	109	P429 N430 K460 R551	P429-Y549 HydrophobicContact CB-CD2 3.68Å; P429-Y549 HydrophobicContact CB-CE2 3.37Å; P429-Y549 HydrophobicContact CG-CD2 3.83Å; P429-Y549 HydrophobicContact CG-CE2 3.4Å; P429-Y549 WeakPolarHBondContact O-CA 3.25Å; N430-Y549 WeakPolarHBondContact OD1-CD2 2.8Å; K460-Y549 HydrophobicContact CB-CD1 4.32Å; K460-Y549 PolarHBondContact N-O 2.84Å; K460-Y549 PolarHBondContact O-N 2.86Å; Y549-R551 HydrophobicContact CE1-CB 3.87Å
550	M	90.8	Very high	86.9	Confident	12 Å²	12	48 Å²	48	6%	0.059	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	128.8	-179.8	-178.4	-149.8	-173.5	0	0	109.8	V425 P429 I431 F441 I443 M457 L459 L526	V425-M550 HydrophobicContact CG2-SD 3.92Å; P429-M550 PolarHBondContact O-N 2.79Å; I431-M550 HydrophobicContact CD1-CB 3.4Å; I431-M550 HydrophobicContact CD1-CG 4.03Å; I431-M550 HydrophobicContact CD1-SD 3.63Å; F441-M550 HydrophobicContact CB-CE 3.9Å; F441-M550 HydrophobicContact CD1-SD 4.48Å; F441-M550 HydrophobicContact CD2-CE 4.36Å; F441-M550 HydrophobicContact CD2-SD 4.34Å; F441-M550 HydrophobicContact CG-CE 4.1Å; F441-M550 HydrophobicContact CG-SD 4.21Å; I443-M550 HydrophobicContact CD1-CE 4.24Å; M457-M550 HydrophobicContact CE-CE 3.88Å; M457-M550 HydrophobicContact CE-CG 3.53Å; M457-M550 HydrophobicContact SD-CE 4.37Å; L459-M550 HydrophobicContact CD2-CB 4.19Å; L459-M550 HydrophobicContact CD2-CG 4.07Å; L526-M550 HydrophobicContact CB-CE 4.49Å; L526-M550 HydrophobicContact CD2-CE 3.53Å; L526-M550 HydrophobicContact CD2-CG 4.42Å; L526-M550 HydrophobicContact CD2-SD 4.43Å
551	R	92.4	Very high	87.5	Confident	97 Å²	97	45.5 Å²	45.5	37%	0.366	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	118.1	173.6	-165.5	-170.1	-178.6	159.7	3.6	109.7	E458 Y549 Y553	E458-R551 HydrophobicContact CB-CB 4.27Å; E458-R551 PolarHBondContact N-O 2.86Å; E458-R551 PolarHBondContact O-N 2.78Å; Y549-R551 HydrophobicContact CE1-CB 3.87Å; R551-Y553 HydrophobicContact CG-CD1 3.83Å; R551-Y553 HydrophobicContact CG-CE1 4.15Å
552	A	93.6	Very high	88	Confident	3 Å²	3	47.2 Å²	47.2	3%	0.025	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	125.7	174	0	0	0	0	0	109	F423 I443 N456 M457	F423-A552 HydrophobicContact CB-CB 4.05Å; F423-A552 HydrophobicContact CD2-CB 4.23Å; F423-A552 PolarHBondContact N-O 2.82Å; I443-A552 HydrophobicContact CD1-CB 3.9Å; N456-A552 WeakPolarHBondContact O-CA 3.44Å; M457-A552 HydrophobicContact SD-CB 3.83Å
553	Y	93.8	Very high	88.3	Confident	45 Å²	45	46.5 Å²	46.5	18%	0.176	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	149	-178.2	62.1	-79.4	0	0	0	111.8	V421 N456 R551 T555	V421-Y553 CarbonylContact O-C 3.57Å; V421-Y553 WeakPolarHBondContact O-CA 2.96Å; V421-Y553 WeakPolarHBondContact O-CB 3.35Å; N456-Y553 WeakPolarHBondContact CA-O 3.49Å; N456-Y553 HydrophobicContact CB-CD1 4.1Å; N456-Y553 HydrophobicContact CB-CD2 4.05Å; N456-Y553 HydrophobicContact CB-CE1 3.72Å; N456-Y553 HydrophobicContact CB-CE2 3.64Å; N456-Y553 HydrophobicContact CB-CG 4.27Å; N456-Y553 VanDerWaalsContact CB-CZ 3.46Å; N456-Y553 WeakPolarHBondContact CB-O 3.21Å; N456-Y553 PolarHBondContact N-O 2.82Å; N456-Y553 PolarHBondContact O-N 3.22Å; R551-Y553 HydrophobicContact CG-CD1 3.83Å; R551-Y553 HydrophobicContact CG-CE1 4.15Å; Y553-T555 HydrophobicContact CD2-CG2 3.62Å; Y553-T555 HydrophobicContact CE2-CG2 3.58Å
554	L	94.3	Very high	88.8	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	137.6	173.8	-163.9	75.4	0	0	0	109	F419 S420 V421 D450 V454 L455 P519	F419-L554 HydrophobicContact CB-CD2 4.32Å; F419-L554 CarbonylContact O-C 3.56Å; F419-L554 VanDerWaalsContact O-C 3.22Å; F419-L554 WeakPolarHBondContact O-CG 3.31Å; S420-L554 WeakPolarHBondContact CA-O 3.29Å; V421-L554 HydrophobicContact CB-CB 4.05Å; V421-L554 HydrophobicContact CG2-CD2 4.35Å; V421-L554 PolarHBondContact N-O 3.28Å; V421-L554 PolarHBondContact O-N 3.4Å; D450-L554 HydrophobicContact CB-CD2 3.8Å; V454-L554 WeakPolarHBondContact O-CA 3.29Å; V454-L554 WeakPolarHBondContact O-CD1 3.47Å; L455-L554 HydrophobicContact CB-CD1 4.32Å; P519-L554 HydrophobicContact CG-CD1 4.4Å
555	T	93.8	Very high	89.3	Confident	23 Å²	23	40.9 Å²	40.9	14%	0.141	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	151.7	168.3	59.4	0	0	0	0	110.6	F419 V454 N456 Y553 C557	F419-T555 CarbonylContact O-C 3.6Å; F419-T555 VanDerWaalsContact O-CA 3.25Å; F419-T555 WeakPolarHBondContact O-CA 3.31Å; F419-T555 PolarHBondContact O-N 3.42Å; V454-T555 PolarHBondContact N-O 2.95Å; V454-T555 PolarHBondContact O-N 3.49Å; N456-T555 PolarHBondContact ND2-OG1 2.87Å; Y553-T555 HydrophobicContact CD2-CG2 3.62Å; Y553-T555 HydrophobicContact CE2-CG2 3.58Å; T555-C557 PolarHBondContact OG1-O 3.18Å
556	P	92.8	Very high	89.6	Confident	28 Å²	28	41.9 Å²	41.9	18%	0.182	22%	0.218	C	C	.	.	S	Bend	trans	-61.4	-53.8	176.2	-19.2	29.3	0	0	0	111.7	F419 A578	F419-P556 HydrophobicContact CB-CB 4.03Å; F419-P556 HydrophobicContact CB-CG 4.01Å; F419-P556 HydrophobicContact CD2-CB 4.47Å; P556-A578 HydrophobicContact CB-CB 3.74Å; P556-A578 WeakPolarHBondContact O-CB 3.18Å
557	C	92.6	Very high	90	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.02	23%	0.234	C	C	.	.	S	Bend	trans	-119	164.3	-179.9	-68.7	0	0	0	0	112.1	T555 N559 C561 C567	T555-C557 PolarHBondContact OG1-O 3.18Å; C557-N559 PolarHBondContact O-N 2.74Å; C557-C561 WeakPolarHBondContact CB-SG 2.97Å; C557-C567 HydrophobicContact CB-CB 3.7Å; C557-C567 WeakPolarHBondContact CB-SG 2.88Å; C557-C567 WeakPolarHBondContact SG-CA 3.35Å; C557-C567 WeakPolarHBondContact SG-CB 3.46Å; C557-C567 CovalentContact SG-SG 2.03Å; C557-C567 PolarHBondContact SG-SG 2.91Å
558	I	89.8	Confident	90.1	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.015	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-72.5	116.6	175.2	-56.1	176.6	0	0	0	108.7	P150 T153 V454 D560 C561 W589	P150-I558 HydrophobicContact CB-CG2 4.25Å; P150-I558 HydrophobicContact CG-CG2 3.97Å; T153-I558 HydrophobicContact CG2-CD1 4.07Å; V454-I558 HydrophobicContact CG1-CG1 4.17Å; V454-I558 HydrophobicContact CG2-CG1 3.7Å; I558-D560 PolarHBondContact O-N 3.37Å; I558-D560 VanDerWaalsContact O-N 3.13Å; I558-C561 PolarHBondContact O-N 3.35Å; I558-W589 HydrophobicContact CD1-CB 4.34Å; I558-W589 HydrophobicContact CD1-CE3 4.34Å
559	N	86.9	Confident	90.1	Very high	81 Å²	81	49.5 Å²	49.5	43%	0.433	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	49	35.7	-178.6	-54	-32.6	0	0	0	113.2	R515 C557 C561 G562	R515-N559 PolarHBondContact NH2-OD1 3.16Å; R515-N559 VanDerWaalsContact NH2-OD1 3.1Å; C557-N559 PolarHBondContact O-N 2.74Å; N559-C561 PolarHBondContact O-N 3Å; N559-C561 VanDerWaalsContact O-N 3.07Å; N559-G562 PolarHBondContact O-N 2.88Å
560	D	88.7	Confident	90.1	Very high	111 Å²	111	47.9 Å²	47.9	59%	0.594	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	52.4	30.4	-176.7	-54.7	-41.1	0	0	0	114.4	I558 G562	I558-D560 PolarHBondContact O-N 3.37Å; I558-D560 VanDerWaalsContact O-N 3.13Å; D560-G562 PolarHBondContact O-N 3.31Å
561	C	89.3	Confident	89.9	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	64.1	14.1	-177.4	-47.5	0	0	0	0	115.3	C557 I558 N559 G565 C567 C580 G590	C557-C561 WeakPolarHBondContact CB-SG 2.97Å; I558-C561 PolarHBondContact O-N 3.35Å; N559-C561 PolarHBondContact O-N 3Å; N559-C561 VanDerWaalsContact O-N 3.07Å; C561-G565 WeakPolarHBondContact O-CA 3.37Å; C561-G565 PolarHBondContact O-N 2.99Å; C561-C567 VanDerWaalsContact SG-CA 3.54Å; C561-C580 WeakPolarHBondContact CA-SG 2.96Å; C561-C580 HydrophobicContact CB-CB 3.71Å; C561-C580 WeakPolarHBondContact CB-SG 3.37Å; C561-C580 WeakPolarHBondContact SG-CA 3.49Å; C561-C580 WeakPolarHBondContact SG-CB 3.35Å; C561-C580 CovalentContact SG-SG 2.03Å; C561-C580 PolarHBondContact SG-SG 3.44Å; C561-G590 CarbonylContact C-O 3.55Å
562	G	86.4	Confident	89.4	Confident	43 Å²	43	51.9 Å²	51.9	44%	0.443	27%	0.272	S	S	.	.			trans	63.2	-158.7	-179.8	0	0	0	0	0	113.4	N559 D560	N559-G562 PolarHBondContact O-N 2.88Å; D560-G562 PolarHBondContact O-N 3.31Å
563	T	84.1	Confident	88.6	Confident	111 Å²	111	54.5 Å²	54.5	68%	0.681	29%	0.286	S	S	*	.	S	Bend	trans	-81.8	-19.7	-178.9	51.2	0	0	0	0	113.7
564	Y	83.7	Confident	88	Confident	68 Å²	68	59.2 Å²	59.2	27%	0.267	31%	0.314	S	S	.	.	S	Bend	trans	-109.6	14.8	-172.5	-56.1	-71.4	0	0	0	113	K583 W586 I654	Y564-K583 PolarHBondContact O-N 3.21Å; Y564-W586 AromaticContact CD1-CD1 3.89Å; Y564-W586 AromaticContact CD1-NE1 3.44Å; Y564-W586 AromaticContact CD2-CD2 3.73Å; Y564-W586 HydrophobicContact CD2-CD2 3.73Å; Y564-W586 AromaticContact CD2-CE2 3.3Å; Y564-W586 HydrophobicContact CD2-CE3 4.18Å; Y564-W586 HydrophobicContact CD2-CG 4.3Å; Y564-W586 AromaticContact CD2-CH2 3.9Å; Y564-W586 HydrophobicContact CD2-CH2 3.9Å; Y564-W586 AromaticContact CD2-CZ2 3.42Å; Y564-W586 HydrophobicContact CD2-CZ2 3.42Å; Y564-W586 VanDerWaalsContact CD2-CZ2 3.42Å; Y564-W586 HydrophobicContact CD2-CZ3 4.26Å; Y564-W586 AromaticContact CD2-NE1 3.66Å; Y564-W586 HydrophobicContact CE1-CZ2 4.43Å; Y564-W586 AromaticContact CE1-NE1 3.83Å; Y564-W586 HydrophobicContact CE2-CD2 4.45Å; Y564-W586 AromaticContact CE2-CE2 3.63Å; Y564-W586 AromaticContact CE2-CH2 3.82Å; Y564-W586 HydrophobicContact CE2-CH2 3.82Å; Y564-W586 AromaticContact CE2-CZ2 3.27Å; Y564-W586 HydrophobicContact CE2-CZ2 3.27Å; Y564-W586 AromaticContact CG-CD1 3.64Å; Y564-W586 AromaticContact CG-CD2 3.85Å; Y564-W586 HydrophobicContact CG-CD2 3.85Å; Y564-W586 AromaticContact CG-CE2 3.51Å; Y564-W586 AromaticContact CG-CG 3.93Å; Y564-W586 HydrophobicContact CG-CG 3.93Å; Y564-W586 HydrophobicContact CG-CZ2 4.08Å; Y564-W586 AromaticContact CG-NE1 3.34Å; Y564-W586 VanDerWaalsContact CG-NE1 3.34Å; Y564-W586 AromaticContact CZ-CZ2 3.82Å; Y564-I654 HydrophobicContact CD1-CG2 4.23Å; Y564-I654 HydrophobicContact CE1-CG2 3.84Å
565	G	87.4	Confident	87.7	Confident	11 Å²	11	59.7 Å²	59.7	11%	0.113	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	164.1	177.9	0	0	0	0	0	112	C561 E581	C561-G565 WeakPolarHBondContact O-CA 3.37Å; C561-G565 PolarHBondContact O-N 2.99Å; G565-E581 CarbonylContact C-O 3.59Å; G565-E581 VanDerWaalsContact CA-O 3.27Å; G565-E581 WeakPolarHBondContact CA-O 3.31Å
566	Q	89.1	Confident	87.5	Confident	98 Å²	98	61.6 Å²	61.6	46%	0.458	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	134.1	170.9	-73.3	-177.1	-26.5	0	0	109.6	K568 E581 K583	Q566-K568 PolarHBondContact O-N 2.76Å; Q566-E581 PolarHBondContact N-O 2.94Å; Q566-E581 PolarHBondContact O-N 3.13Å; Q566-K583 VanDerWaalsContact OE1-CE 3.24Å
567	C	91.7	Very high	87.4	Confident	48 Å²	48	60.6 Å²	60.6	32%	0.324	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	114.1	174.4	-171.7	0	0	0	0	109.4	C557 C561	C557-C567 HydrophobicContact CB-CB 3.7Å; C557-C567 WeakPolarHBondContact CB-SG 2.88Å; C557-C567 WeakPolarHBondContact SG-CA 3.35Å; C557-C567 WeakPolarHBondContact SG-CB 3.46Å; C557-C567 CovalentContact SG-SG 2.03Å; C557-C567 PolarHBondContact SG-SG 2.91Å; C561-C567 VanDerWaalsContact SG-CA 3.54Å
568	K	90.5	Very high	87.4	Confident	83 Å²	83	60.6 Å²	60.6	36%	0.361	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	132.6	177.1	-77.6	-173.4	165.1	174.8	0	110.4	Q566 A578 A579 E581	Q566-K568 PolarHBondContact O-N 2.76Å; K568-A578 WeakPolarHBondContact O-CA 2.96Å; K568-A579 PolarHBondContact N-O 2.64Å; K568-A579 PolarHBondContact O-N 3.23Å; K568-E581 HydrophobicContact CD-CB 4.16Å; K568-E581 WeakPolarHBondContact CD-OE2 3.33Å; K568-E581 WeakPolarHBondContact CE-OE2 3.27Å; K568-E581 IonicContact NZ-OE1 2.86Å; K568-E581 PolarHBondContact NZ-OE1 3.39Å; K568-E581 IonicContact NZ-OE2 2.64Å; K568-E581 PolarHBondContact NZ-OE2 3.37Å
569	L	90.6	Very high	87.6	Confident	97 Å²	97	60.7 Å²	60.7	51%	0.508	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	119.3	168.8	-69.6	166.2	0	0	0	108.8	T418 F419 L576 A578	T418-L569 HydrophobicContact CG2-CD2 4.43Å; F419-L569 HydrophobicContact CD2-CD2 3.54Å; F419-L569 HydrophobicContact CE2-CD2 3.57Å; L569-L576 HydrophobicContact CB-CD2 4.46Å; L569-A578 HydrophobicContact CD2-CB 3.98Å
570	L	89.6	Confident	87.8	Confident	41 Å²	41	57.2 Å²	57.2	22%	0.215	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	145.8	-177.5	-62.1	164.7	0	0	0	109.1	A91 L576 Y577 A579	A91-L570 HydrophobicContact CB-CD1 3.9Å; L570-L576 WeakPolarHBondContact O-CA 3.36Å; L570-Y577 HydrophobicContact CB-CD1 4.13Å; L570-Y577 HydrophobicContact CB-CD2 4.2Å; L570-Y577 HydrophobicContact CB-CE1 3.69Å; L570-Y577 HydrophobicContact CB-CE2 3.8Å; L570-Y577 HydrophobicContact CB-CG 4.37Å; L570-Y577 HydrophobicContact CD1-CD2 4.2Å; L570-Y577 HydrophobicContact CD1-CE2 3.47Å; L570-Y577 VanDerWaalsContact CD1-CE2 3.47Å; L570-Y577 HydrophobicContact CG-CE2 4.28Å; L570-Y577 PolarHBondContact N-O 3.45Å; L570-Y577 PolarHBondContact O-N 2.85Å; L570-A579 HydrophobicContact CD1-CB 3.97Å
571	R	86.7	Confident	87.9	Confident	178 Å²	178	55 Å²	55	67%	0.672	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.1	120.2	-179.6	-172.1	-179.9	77.6	113.9	-10.5	110.6	N573 Y575 L576	R571-N573 PolarHBondContact NH1-O 2.87Å; R571-Y575 WeakPolarHBondContact CA-O 3.18Å; R571-L576 HydrophobicContact CB-CG 4.34Å; R571-L576 HydrophobicContact CG-CD1 4.42Å; R571-L576 HydrophobicContact CG-CG 4.33Å
572	T	81.4	Confident	87.8	Confident	14 Å²	14	55.7 Å²	55.7	9%	0.086	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	107.3	167.9	-52.7	0	0	0	0	109.9	L95 N574 Y575	L95-T572 WeakPolarHBondContact O-CG2 3.02Å; T572-N574 PolarHBondContact O-N 2.99Å; T572-Y575 PolarHBondContact N-O 2.92Å; T572-Y575 PolarHBondContact O-N 2.88Å
573	N	77.8	Confident	87.7	Confident	58 Å²	58	56.6 Å²	56.6	31%	0.31	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	-108.5	-175.6	-54.8	-32.2	0	0	0	110.9	R82 R571	R82-N573 PolarHBondContact NH2-OD1 3.35Å; R571-N573 PolarHBondContact NH1-O 2.87Å
574	N	80.5	Confident	87.6	Confident	144 Å²	144	51.5 Å²	51.5	77%	0.77	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	4.7	178.8	-69.7	7.3	0	0	0	113.4	V448 T572	V448-N574 VanDerWaalsContact CG1-O 3.28Å; V448-N574 WeakPolarHBondContact CG1-O 3.02Å; T572-N574 PolarHBondContact O-N 2.99Å
575	Y	87.4	Confident	87.4	Confident	10 Å²	10	49.5 Å²	49.5	4%	0.039	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	126.1	178.4	-168.1	-96.2	0	0	0	110.2	L95 P139 F186 V448 S451 G452 R571 T572 Y577	L95-Y575 HydrophobicContact CD2-CD1 3.62Å; L95-Y575 HydrophobicContact CD2-CE1 3.74Å; P139-Y575 WeakPolarHBondContact CD-OH 3.18Å; P139-Y575 HydrophobicContact CG-CE1 3.62Å; P139-Y575 WeakPolarHBondContact CG-OH 3.33Å; F186-Y575 HydrophobicContact CE1-CD1 4.03Å; F186-Y575 AromaticContact CE1-CD2 3.66Å; F186-Y575 HydrophobicContact CE1-CD2 3.66Å; F186-Y575 AromaticContact CE1-CE1 3.89Å; F186-Y575 HydrophobicContact CE1-CE1 3.89Å; F186-Y575 AromaticContact CE1-CE2 3.52Å; F186-Y575 HydrophobicContact CE1-CE2 3.52Å; F186-Y575 AromaticContact CE1-CG 3.93Å; F186-Y575 HydrophobicContact CE1-CG 3.93Å; F186-Y575 AromaticContact CE1-CZ 3.66Å; F186-Y575 AromaticContact CZ-CD2 3.86Å; F186-Y575 HydrophobicContact CZ-CD2 3.86Å; F186-Y575 HydrophobicContact CZ-CE1 4.49Å; F186-Y575 AromaticContact CZ-CE2 3.42Å; F186-Y575 HydrophobicContact CZ-CE2 3.42Å; F186-Y575 VanDerWaalsContact CZ-CE2 3.42Å; F186-Y575 AromaticContact CZ-CZ 3.8Å; V448-Y575 HydrophobicContact CG1-CD2 4.13Å; S451-Y575 WeakPolarHBondContact CB-OH 3.2Å; S451-Y575 PolarHBondContact O-OH 3.04Å; S451-Y575 VanDerWaalsContact O-OH 3.06Å; S451-Y575 WeakPolarHBondContact OG-CE2 3.47Å; S451-Y575 PolarHBondContact OG-OH 3.31Å; G452-Y575 PolarHBondContact N-OH 3.46Å; R571-Y575 WeakPolarHBondContact CA-O 3.18Å; T572-Y575 PolarHBondContact N-O 2.92Å; T572-Y575 PolarHBondContact O-N 2.88Å; Y575-Y577 HydrophobicContact CD1-CD1 4.13Å; Y575-Y577 HydrophobicContact CE1-CD1 4.41Å
576	L	90	Very high	87.3	Confident	63 Å²	63	50.9 Å²	50.9	33%	0.33	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	146.7	172.2	-101.1	119.6	0	0	0	109.7	F419 L569 L570 R571	F419-L576 HydrophobicContact CE2-CB 4.16Å; F419-L576 HydrophobicContact CE2-CD2 4.47Å; F419-L576 HydrophobicContact CZ-CB 3.74Å; F419-L576 WeakPolarHBondContact CZ-O 3.46Å; L569-L576 HydrophobicContact CB-CD2 4.46Å; L570-L576 WeakPolarHBondContact O-CA 3.36Å; R571-L576 HydrophobicContact CB-CG 4.34Å; R571-L576 HydrophobicContact CG-CD1 4.42Å; R571-L576 HydrophobicContact CG-CG 4.33Å
577	Y	91.6	Very high	87.3	Confident	8 Å²	8	46.7 Å²	46.7	3%	0.031	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	155.7	171.4	62.6	-74.8	0	0	0	110.7	F90 V93 L95 G452 L570 Y575	F90-Y577 HydrophobicContact CD1-CD2 4.36Å; F90-Y577 HydrophobicContact CD1-CE2 4.17Å; F90-Y577 AromaticContact CE1-CD2 3.94Å; F90-Y577 HydrophobicContact CE1-CD2 3.94Å; F90-Y577 AromaticContact CE1-CE2 3.85Å; F90-Y577 HydrophobicContact CE1-CE2 3.85Å; V93-Y577 PolarHBondContact O-OH 2.86Å; L95-Y577 HydrophobicContact CB-CE1 4.22Å; L95-Y577 HydrophobicContact CD2-CD1 4.04Å; L95-Y577 HydrophobicContact CD2-CE1 4.14Å; L95-Y577 HydrophobicContact CD2-CG 4.5Å; G452-Y577 WeakPolarHBondContact O-CA 3.3Å; L570-Y577 HydrophobicContact CB-CD1 4.13Å; L570-Y577 HydrophobicContact CB-CD2 4.2Å; L570-Y577 HydrophobicContact CB-CE1 3.69Å; L570-Y577 HydrophobicContact CB-CE2 3.8Å; L570-Y577 HydrophobicContact CB-CG 4.37Å; L570-Y577 HydrophobicContact CD1-CD2 4.2Å; L570-Y577 HydrophobicContact CD1-CE2 3.47Å; L570-Y577 VanDerWaalsContact CD1-CE2 3.47Å; L570-Y577 HydrophobicContact CG-CE2 4.28Å; L570-Y577 PolarHBondContact N-O 3.45Å; L570-Y577 PolarHBondContact O-N 2.85Å; Y575-Y577 HydrophobicContact CD1-CD1 4.13Å; Y575-Y577 HydrophobicContact CE1-CD1 4.41Å
578	A	92.7	Very high	87.1	Confident	3 Å²	3	45 Å²	45	3%	0.025	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	135.8	178.8	0	0	0	0	0	110	F419 G452 Y518 P556 K568 L569	F419-A578 HydrophobicContact CD2-CB 4.08Å; F419-A578 HydrophobicContact CE2-CB 4.37Å; G452-A578 PolarHBondContact O-N 3.16Å; Y518-A578 PolarHBondContact OH-O 2.72Å; P556-A578 HydrophobicContact CB-CB 3.74Å; P556-A578 WeakPolarHBondContact O-CB 3.18Å; K568-A578 WeakPolarHBondContact O-CA 2.96Å; L569-A578 HydrophobicContact CD2-CB 3.98Å
579	A	93.1	Very high	87	Confident	5 Å²	5	42.3 Å²	42.3	4%	0.041	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	151.8	178.4	0	0	0	0	0	111.1	F90 A91 K568 L570	F90-A579 HydrophobicContact CB-CB 4.26Å; F90-A579 HydrophobicContact CD1-CB 3.94Å; A91-A579 HydrophobicContact CB-CB 4.12Å; K568-A579 PolarHBondContact N-O 2.64Å; K568-A579 PolarHBondContact O-N 3.23Å; L570-A579 HydrophobicContact CD1-CB 3.97Å
580	C	92.3	Very high	86.8	Confident	8 Å²	8	37.8 Å²	37.8	5%	0.054	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	132.2	175.5	-66.6	0	0	0	0	111.6	S89 C561 W589	S89-C580 VanDerWaalsContact CB-O 3.25Å; S89-C580 WeakPolarHBondContact CB-O 3.31Å; S89-C580 PolarHBondContact OG-O 2.78Å; C561-C580 WeakPolarHBondContact CA-SG 2.96Å; C561-C580 HydrophobicContact CB-CB 3.71Å; C561-C580 WeakPolarHBondContact CB-SG 3.37Å; C561-C580 WeakPolarHBondContact SG-CA 3.49Å; C561-C580 WeakPolarHBondContact SG-CB 3.35Å; C561-C580 CovalentContact SG-SG 2.03Å; C561-C580 PolarHBondContact SG-SG 3.44Å; C580-W589 WeakPolarHBondContact CB-O 3.48Å; C580-W589 PolarHBondContact SG-O 3.3Å
581	E	89.9	Confident	86.8	Confident	63 Å²	63	36 Å²	36	29%	0.294	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	117.9	165.3	-173.5	-173.9	-123.2	0	0	108.5	A91 G565 Q566 K568	A91-E581 HydrophobicContact CB-CB 4.45Å; G565-E581 CarbonylContact C-O 3.59Å; G565-E581 VanDerWaalsContact CA-O 3.27Å; G565-E581 WeakPolarHBondContact CA-O 3.31Å; Q566-E581 PolarHBondContact N-O 2.94Å; Q566-E581 PolarHBondContact O-N 3.13Å; K568-E581 HydrophobicContact CD-CB 4.16Å; K568-E581 WeakPolarHBondContact CD-OE2 3.33Å; K568-E581 WeakPolarHBondContact CE-OE2 3.27Å; K568-E581 IonicContact NZ-OE1 2.86Å; K568-E581 PolarHBondContact NZ-OE1 3.39Å; K568-E581 IonicContact NZ-OE2 2.64Å; K568-E581 PolarHBondContact NZ-OE2 3.37Å
582	C	87.7	Confident	86.8	Confident	16 Å²	16	30.7 Å²	30.7	11%	0.108	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	150.4	-173.9	-53.1	0	0	0	0	111.6	W586 G588 C591	C582-W586 HydrophobicContact CB-CB 4.29Å; C582-W586 WeakPolarHBondContact CB-O 3.47Å; C582-G588 PolarHBondContact SG-O 3.44Å; C582-C591 WeakPolarHBondContact CA-SG 2.91Å; C582-C591 HydrophobicContact CB-CB 3.76Å; C582-C591 WeakPolarHBondContact CB-SG 3.37Å; C582-C591 WeakPolarHBondContact SG-CA 3.05Å; C582-C591 WeakPolarHBondContact SG-CB 3.25Å; C582-C591 CovalentContact SG-SG 2.04Å; C582-C591 PolarHBondContact SG-SG 3.01Å
583	K	84.1	Confident	87.1	Confident	62 Å²	62	31 Å²	31	27%	0.27	17%	0.17	S	C	.	.			trans	-119.7	161.4	-177.6	-60.9	-171.8	176.2	-168.2	0	110.8	Y564 Q566 G585 W586 P652	Y564-K583 PolarHBondContact O-N 3.21Å; Q566-K583 VanDerWaalsContact OE1-CE 3.24Å; K583-G585 VanDerWaalsContact C-N 3.3Å; K583-G585 PolarHBondContact O-N 2.87Å; K583-W586 WeakPolarHBondContact O-CB 3.39Å; K583-W586 VanDerWaalsContact O-CD1 3.27Å; K583-W586 PolarHBondContact O-N 2.78Å; K583-W586 VanDerWaalsContact O-N 3.11Å; K583-P652 HydrophobicContact CB-CB 4.48Å
584	A	81	Confident	87.4	Confident	4 Å²	4	33.8 Å²	33.8	3%	0.033	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	39.4	173	0	0	0	0	0	114.7	W586 Y598	A584-W586 PolarHBondContact O-N 2.99Å; A584-Y598 VanDerWaalsContact C-CD2 3.45Å; A584-Y598 WeakPolarHBondContact O-CD2 3.49Å; A584-Y598 PolarHBondContact O-N 2.91Å
585	G	80.4	Confident	87.6	Confident	25 Å²	25	30.9 Å²	30.9	26%	0.258	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	4.2	178.8	0	0	0	0	0	114.8	K583 E596 A597	K583-G585 VanDerWaalsContact C-N 3.3Å; K583-G585 PolarHBondContact O-N 2.87Å; G585-E596 CarbonylContact O-C 3.59Å; G585-E596 VanDerWaalsContact O-C 3.24Å; G585-A597 PolarHBondContact O-N 3.4Å
586	W	86	Confident	87.3	Confident	41 Å²	41	35.4 Å²	35.4	16%	0.155	20%	0.197	C	C	.	.			trans	-68.8	143.3	171.5	-74.5	79	0	0	0	110.6	Y564 C582 K583 A584 C591 D593 N594 A597	Y564-W586 AromaticContact CD1-CD1 3.89Å; Y564-W586 AromaticContact CD1-NE1 3.44Å; Y564-W586 AromaticContact CD2-CD2 3.73Å; Y564-W586 HydrophobicContact CD2-CD2 3.73Å; Y564-W586 AromaticContact CD2-CE2 3.3Å; Y564-W586 HydrophobicContact CD2-CE3 4.18Å; Y564-W586 HydrophobicContact CD2-CG 4.3Å; Y564-W586 AromaticContact CD2-CH2 3.9Å; Y564-W586 HydrophobicContact CD2-CH2 3.9Å; Y564-W586 AromaticContact CD2-CZ2 3.42Å; Y564-W586 HydrophobicContact CD2-CZ2 3.42Å; Y564-W586 VanDerWaalsContact CD2-CZ2 3.42Å; Y564-W586 HydrophobicContact CD2-CZ3 4.26Å; Y564-W586 AromaticContact CD2-NE1 3.66Å; Y564-W586 HydrophobicContact CE1-CZ2 4.43Å; Y564-W586 AromaticContact CE1-NE1 3.83Å; Y564-W586 HydrophobicContact CE2-CD2 4.45Å; Y564-W586 AromaticContact CE2-CE2 3.63Å; Y564-W586 AromaticContact CE2-CH2 3.82Å; Y564-W586 HydrophobicContact CE2-CH2 3.82Å; Y564-W586 AromaticContact CE2-CZ2 3.27Å; Y564-W586 HydrophobicContact CE2-CZ2 3.27Å; Y564-W586 AromaticContact CG-CD1 3.64Å; Y564-W586 AromaticContact CG-CD2 3.85Å; Y564-W586 HydrophobicContact CG-CD2 3.85Å; Y564-W586 AromaticContact CG-CE2 3.51Å; Y564-W586 AromaticContact CG-CG 3.93Å; Y564-W586 HydrophobicContact CG-CG 3.93Å; Y564-W586 HydrophobicContact CG-CZ2 4.08Å; Y564-W586 AromaticContact CG-NE1 3.34Å; Y564-W586 VanDerWaalsContact CG-NE1 3.34Å; Y564-W586 AromaticContact CZ-CZ2 3.82Å; C582-W586 HydrophobicContact CB-CB 4.29Å; C582-W586 WeakPolarHBondContact CB-O 3.47Å; K583-W586 WeakPolarHBondContact O-CB 3.39Å; K583-W586 VanDerWaalsContact O-CD1 3.27Å; K583-W586 PolarHBondContact O-N 2.78Å; K583-W586 VanDerWaalsContact O-N 3.11Å; A584-W586 PolarHBondContact O-N 2.99Å; W586-C591 VanDerWaalsContact CE3-O 3.25Å; W586-D593 VanDerWaalsContact CE3-O 3.25Å; W586-N594 HydrophobicContact CE3-CB 4.26Å; W586-N594 HydrophobicContact CH2-CB 3.67Å; W586-N594 HydrophobicContact CZ2-CB 4.28Å; W586-N594 HydrophobicContact CZ3-CB 3.65Å; W586-A597 HydrophobicContact CD2-CB 3.92Å; W586-A597 HydrophobicContact CG-CB 3.98Å; W586-A597 HydrophobicContact CZ2-CB 4.27Å
587	N	87.3	Confident	87	Confident	10 Å²	10	33.7 Å²	33.7	5%	0.053	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-127.2	173	-177.1	-72.1	-37.3	0	0	0	111.7	T147 C591 T592 D593 E596	T147-N587 HydrophobicContact CG2-CB 3.93Å; N587-C591 WeakPolarHBondContact O-CA 3.37Å; N587-T592 PolarHBondContact O-N 2.9Å; N587-D593 HydrophobicContact CB-CB 4.18Å; N587-D593 PolarHBondContact N-O 2.73Å; N587-D593 VanDerWaalsContact N-O 3.08Å; N587-D593 WeakPolarHBondContact O-CB 3.46Å; N587-D593 PolarHBondContact O-N 3.4Å; N587-E596 PolarHBondContact ND2-OE2 3.37Å
588	G	87.7	Confident	86.6	Confident	12 Å²	12	39.1 Å²	39.1	12%	0.124	21%	0.213	C	C	.	.	S	Bend	trans	91.6	170.5	173.6	0	0	0	0	0	115.3	T147 C582 G590 C591	T147-G588 WeakPolarHBondContact OG1-CA 3.07Å; C582-G588 PolarHBondContact SG-O 3.44Å; G588-G590 VanDerWaalsContact C-N 3.31Å; G588-G590 PolarHBondContact O-N 3.04Å; G588-C591 PolarHBondContact O-N 3.28Å; G588-C591 VanDerWaalsContact O-N 3.11Å
589	W	88.1	Confident	86.3	Confident	27 Å²	27	42.3 Å²	42.3	10%	0.102	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-31.2	-169.6	-90.9	70.5	0	0	0	115.5	F90 V141 I142 F149 P517 Y518 I558 C580	F90-W589 HydrophobicContact CB-CZ2 4.47Å; F90-W589 AromaticContact CD2-CH2 3.73Å; F90-W589 HydrophobicContact CD2-CH2 3.73Å; F90-W589 AromaticContact CD2-CZ2 3.5Å; F90-W589 HydrophobicContact CD2-CZ2 3.5Å; F90-W589 VanDerWaalsContact CD2-CZ2 3.5Å; F90-W589 AromaticContact CE2-CH2 3.99Å; F90-W589 HydrophobicContact CE2-CH2 3.99Å; F90-W589 AromaticContact CE2-CZ2 3.99Å; F90-W589 HydrophobicContact CE2-CZ2 3.99Å; F90-W589 HydrophobicContact CG-CH2 4.12Å; F90-W589 HydrophobicContact CG-CZ2 4.13Å; V141-W589 HydrophobicContact CB-CH2 4.01Å; V141-W589 HydrophobicContact CB-CZ2 4.09Å; V141-W589 HydrophobicContact CG1-CH2 3.63Å; V141-W589 HydrophobicContact CG1-CZ2 3.52Å; V141-W589 HydrophobicContact CG1-CZ3 4.22Å; V141-W589 HydrophobicContact CG2-CH2 4.05Å; I142-W589 PolarHBondContact O-NE1 3.39Å; F149-W589 HydrophobicContact CD1-CB 4.09Å; F149-W589 AromaticContact CD1-CD1 3.93Å; F149-W589 AromaticContact CD1-CG 3.9Å; F149-W589 HydrophobicContact CD1-CG 3.9Å; F149-W589 HydrophobicContact CE1-CB 4.13Å; F149-W589 AromaticContact CE1-CD1 3.22Å; F149-W589 AromaticContact CE1-CD2 3.77Å; F149-W589 HydrophobicContact CE1-CD2 3.77Å; F149-W589 AromaticContact CE1-CE2 3.78Å; F149-W589 AromaticContact CE1-CG 3.43Å; F149-W589 HydrophobicContact CE1-CG 3.43Å; F149-W589 VanDerWaalsContact CE1-CG 3.43Å; F149-W589 AromaticContact CE1-NE1 3.43Å; F149-W589 AromaticContact CZ-CD1 3.6Å; F149-W589 HydrophobicContact CZ-CG 4.25Å; F149-W589 AromaticContact CZ-NE1 3.55Å; P517-W589 HydrophobicContact CB-CE3 4.44Å; P517-W589 HydrophobicContact CB-CZ3 3.98Å; Y518-W589 AromaticContact CD2-CH2 3.87Å; Y518-W589 HydrophobicContact CD2-CH2 3.87Å; Y518-W589 HydrophobicContact CD2-CZ3 4.14Å; Y518-W589 AromaticContact CE2-CH2 3.39Å; Y518-W589 HydrophobicContact CE2-CH2 3.39Å; Y518-W589 AromaticContact CE2-CZ3 3.61Å; Y518-W589 HydrophobicContact CE2-CZ3 3.61Å; I558-W589 HydrophobicContact CD1-CB 4.34Å; I558-W589 HydrophobicContact CD1-CE3 4.34Å; C580-W589 WeakPolarHBondContact CB-O 3.48Å; C580-W589 PolarHBondContact SG-O 3.3Å
590	G	88.3	Confident	85.9	Confident	2 Å²	2	48 Å²	48	2%	0.021	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112	15.3	175.7	0	0	0	0	0	113.3	C561 G588 T592	C561-G590 CarbonylContact C-O 3.55Å; G588-G590 VanDerWaalsContact C-N 3.31Å; G588-G590 PolarHBondContact O-N 3.04Å; G590-T592 PolarHBondContact O-N 2.79Å
591	C	89.3	Confident	85.6	Confident	3 Å²	3	51.8 Å²	51.8	2%	0.02	28%	0.283	C	S	.	.	S	Bend	trans	53	40.4	-172.8	-51	0	0	0	0	113.5	C582 W586 N587 G588	C582-C591 WeakPolarHBondContact CA-SG 2.91Å; C582-C591 HydrophobicContact CB-CB 3.76Å; C582-C591 WeakPolarHBondContact CB-SG 3.37Å; C582-C591 WeakPolarHBondContact SG-CA 3.05Å; C582-C591 WeakPolarHBondContact SG-CB 3.25Å; C582-C591 CovalentContact SG-SG 2.04Å; C582-C591 PolarHBondContact SG-SG 3.01Å; W586-C591 VanDerWaalsContact CE3-O 3.25Å; N587-C591 WeakPolarHBondContact O-CA 3.37Å; G588-C591 PolarHBondContact O-N 3.28Å; G588-C591 VanDerWaalsContact O-N 3.11Å
592	T	86.9	Confident	85.4	Confident	66 Å²	66	51.9 Å²	51.9	41%	0.405	28%	0.283	S	S	.	.			trans	-106.6	-4.3	-177.8	54.7	0	0	0	0	113.6	N587 G590	N587-T592 PolarHBondContact O-N 2.9Å; G590-T592 PolarHBondContact O-N 2.79Å
593	D	85.9	Confident	85.4	Confident	22 Å²	22	51.6 Å²	51.6	12%	0.118	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-87.7	120.7	178.5	-161	-33.5	0	0	0	110	T147 R148 W586 N587 S595	T147-D593 WeakPolarHBondContact CA-OD2 3.47Å; T147-D593 WeakPolarHBondContact CB-OD2 3.49Å; R148-D593 PolarHBondContact N-OD2 3.09Å; W586-D593 VanDerWaalsContact CE3-O 3.25Å; N587-D593 HydrophobicContact CB-CB 4.18Å; N587-D593 PolarHBondContact N-O 2.73Å; N587-D593 VanDerWaalsContact N-O 3.08Å; N587-D593 WeakPolarHBondContact O-CB 3.46Å; N587-D593 PolarHBondContact O-N 3.4Å; D593-S595 VanDerWaalsContact OD1-CB 3.32Å; D593-S595 WeakPolarHBondContact OD1-CB 3.28Å; D593-S595 PolarHBondContact OD1-N 3.17Å; D593-S595 VanDerWaalsContact OD1-N 3.09Å; D593-S595 PolarHBondContact OD1-OG 2.91Å
594	N	85.8	Confident	85.6	Confident	116 Å²	116	51.7 Å²	51.7	62%	0.62	28%	0.283	S	S	*	.			trans	-102.5	8.9	-175.2	68.1	-19.1	0	0	0	113.8	W586 E596 A597	W586-N594 HydrophobicContact CE3-CB 4.26Å; W586-N594 HydrophobicContact CH2-CB 3.67Å; W586-N594 HydrophobicContact CZ2-CB 4.28Å; W586-N594 HydrophobicContact CZ3-CB 3.65Å; N594-E596 PolarHBondContact O-N 2.89Å; N594-A597 HydrophobicContact CB-CB 4.25Å; N594-A597 PolarHBondContact O-N 2.76Å
595	S	84.4	Confident	86	Confident	83 Å²	83	55.6 Å²	55.6	58%	0.58	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-42	-176.4	43.4	0	0	0	0	114.1	D593	D593-S595 VanDerWaalsContact OD1-CB 3.32Å; D593-S595 WeakPolarHBondContact OD1-CB 3.28Å; D593-S595 PolarHBondContact OD1-N 3.17Å; D593-S595 VanDerWaalsContact OD1-N 3.09Å; D593-S595 PolarHBondContact OD1-OG 2.91Å
596	E	80.6	Confident	86.3	Confident	104 Å²	104	54.5 Å²	54.5	49%	0.486	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	12	178.3	-63.1	-179.2	168.6	0	0	112.7	K193 G585 N587 N594	K193-E596 VanDerWaalsContact NZ-CD 3.31Å; K193-E596 IonicContact NZ-OE1 3.63Å; K193-E596 PolarHBondContact NZ-OE1 3.32Å; K193-E596 VanDerWaalsContact NZ-OE1 3.16Å; K193-E596 IonicContact NZ-OE2 2.59Å; K193-E596 PolarHBondContact NZ-OE2 3.39Å; G585-E596 CarbonylContact O-C 3.59Å; G585-E596 VanDerWaalsContact O-C 3.24Å; N587-E596 PolarHBondContact ND2-OE2 3.37Å; N594-E596 PolarHBondContact O-N 2.89Å
597	A	83.9	Confident	86.4	Confident	28 Å²	28	53.2 Å²	53.2	23%	0.231	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-71.7	135	-173.1	0	0	0	0	0	112.3	G585 W586 N594	G585-A597 PolarHBondContact O-N 3.4Å; W586-A597 HydrophobicContact CD2-CB 3.92Å; W586-A597 HydrophobicContact CG-CB 3.98Å; W586-A597 HydrophobicContact CZ2-CB 4.27Å; N594-A597 HydrophobicContact CB-CB 4.25Å; N594-A597 PolarHBondContact O-N 2.76Å
598	Y	82.9	Confident	86.6	Confident	121 Å²	121	56.5 Å²	56.5	48%	0.475	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-70.5	135.7	175	-63.5	-58.5	0	0	0	111.1	A584 F602 Q603	A584-Y598 VanDerWaalsContact C-CD2 3.45Å; A584-Y598 WeakPolarHBondContact O-CD2 3.49Å; A584-Y598 PolarHBondContact O-N 2.91Å; Y598-F602 AromaticContact CD1-CD1 3.82Å; Y598-F602 HydrophobicContact CD1-CD1 3.82Å; Y598-F602 AromaticContact CD1-CE1 3.72Å; Y598-F602 HydrophobicContact CD1-CE1 3.72Å; Y598-F602 HydrophobicContact CE1-CE1 4.04Å; Y598-F602 HydrophobicContact CG-CD1 4.03Å; Y598-F602 HydrophobicContact CG-CE1 4.18Å; Y598-Q603 PolarHBondContact O-NE2 3.43Å
599	S	86.3	Confident	86.8	Confident	70 Å²	70	58.6 Å²	58.6	49%	0.49	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-64.1	151.3	174.2	72.7	0	0	0	0	112	S601 F602 Q603	S599-S601 VanDerWaalsContact C-N 3.29Å; S599-S601 PolarHBondContact O-N 2.85Å; S599-F602 WeakPolarHBondContact O-CB 3.33Å; S599-F602 PolarHBondContact O-N 2.84Å; S599-F602 VanDerWaalsContact O-N 3.12Å; S599-F602 WeakPolarHBondContact OG-CB 3.45Å; S599-F602 PolarHBondContact OG-N 3.03Å; S599-Q603 WeakPolarHBondContact O-CG 3.44Å; S599-Q603 PolarHBondContact O-N 2.62Å
600	Y	85.8	Confident	86.9	Confident	124 Å²	124	57.3 Å²	57.3	49%	0.486	31%	0.308	S	S	.	.	H	α-helix	trans	-57.1	-42.4	176.5	178	-104.4	0	0	0	112.4	F602 Q603 L604 I654 V655	Y600-F602 VanDerWaalsContact C-N 3.26Å; Y600-F602 PolarHBondContact O-N 2.76Å; Y600-Q603 PolarHBondContact O-N 2.92Å; Y600-L604 HydrophobicContact CE1-CD2 4.25Å; Y600-L604 WeakPolarHBondContact O-CB 3.25Å; Y600-L604 PolarHBondContact O-N 3.02Å; Y600-I654 HydrophobicContact CD2-CD1 3.44Å; Y600-I654 VanDerWaalsContact CD2-CD1 3.44Å; Y600-I654 HydrophobicContact CD2-CG1 3.76Å; Y600-I654 HydrophobicContact CE2-CD1 3.51Å; Y600-I654 HydrophobicContact CE2-CG1 3.81Å; Y600-V655 HydrophobicContact CD2-CG1 4.1Å; Y600-V655 HydrophobicContact CE2-CG1 3.39Å
601	S	85.8	Confident	87.2	Confident	89 Å²	89	58 Å²	58	62%	0.622	31%	0.313	S	S	*	.	H	α-helix	trans	-60.5	-37.5	178.1	-54.5	0	0	0	0	112.1	S599 L605	S599-S601 VanDerWaalsContact C-N 3.29Å; S599-S601 PolarHBondContact O-N 2.85Å; S601-L605 VanDerWaalsContact O-CB 3.28Å; S601-L605 WeakPolarHBondContact O-CB 3.18Å; S601-L605 PolarHBondContact O-N 2.93Å
602	F	85.9	Confident	87.3	Confident	64 Å²	64	62.6 Å²	62.6	28%	0.281	34%	0.337	S	S	.	.	H	α-helix	trans	-68.5	-48.1	175.9	-177.7	-95.7	0	0	0	111.5	Y598 S599 Y600 L604 L605 S606 F778	Y598-F602 AromaticContact CD1-CD1 3.82Å; Y598-F602 HydrophobicContact CD1-CD1 3.82Å; Y598-F602 AromaticContact CD1-CE1 3.72Å; Y598-F602 HydrophobicContact CD1-CE1 3.72Å; Y598-F602 HydrophobicContact CE1-CE1 4.04Å; Y598-F602 HydrophobicContact CG-CD1 4.03Å; Y598-F602 HydrophobicContact CG-CE1 4.18Å; S599-F602 WeakPolarHBondContact O-CB 3.33Å; S599-F602 PolarHBondContact O-N 2.84Å; S599-F602 VanDerWaalsContact O-N 3.12Å; S599-F602 WeakPolarHBondContact OG-CB 3.45Å; S599-F602 PolarHBondContact OG-N 3.03Å; Y600-F602 VanDerWaalsContact C-N 3.26Å; Y600-F602 PolarHBondContact O-N 2.76Å; F602-L604 VanDerWaalsContact C-N 3.29Å; F602-L604 PolarHBondContact O-N 2.97Å; F602-L605 PolarHBondContact O-N 2.8Å; F602-S606 PolarHBondContact O-N 2.81Å; F602-S606 PolarHBondContact O-OG 2.92Å; F602-S606 VanDerWaalsContact O-OG 3.09Å; F602-F778 HydrophobicContact CE1-CE1 4.42Å; F602-F778 HydrophobicContact CE1-CZ 4.35Å; F602-F778 HydrophobicContact CE2-CE1 4.36Å; F602-F778 HydrophobicContact CE2-CE2 4.11Å; F602-F778 AromaticContact CE2-CZ 3.58Å; F602-F778 HydrophobicContact CE2-CZ 3.58Å; F602-F778 AromaticContact CZ-CE1 3.63Å; F602-F778 HydrophobicContact CZ-CE1 3.63Å; F602-F778 HydrophobicContact CZ-CE2 4.09Å; F602-F778 AromaticContact CZ-CZ 3.3Å; F602-F778 HydrophobicContact CZ-CZ 3.3Å
603	Q	86.4	Confident	87.7	Confident	10 Å²	10	59.9 Å²	59.9	5%	0.047	32%	0.32	C	S	.	.	H	α-helix	trans	-57	-43.7	176.4	-65.5	172.8	32.8	0	0	111.7	Y598 S599 Y600 T607 V655	Y598-Q603 PolarHBondContact O-NE2 3.43Å; S599-Q603 WeakPolarHBondContact O-CG 3.44Å; S599-Q603 PolarHBondContact O-N 2.62Å; Y600-Q603 PolarHBondContact O-N 2.92Å; Q603-T607 WeakPolarHBondContact O-CB 3.49Å; Q603-T607 PolarHBondContact O-N 3.03Å; Q603-T607 PolarHBondContact O-OG1 3.4Å; Q603-V655 HydrophobicContact CB-CG2 3.99Å
604	L	88.3	Confident	88.1	Confident	64 Å²	64	58.9 Å²	58.9	34%	0.335	32%	0.315	S	S	.	.	H	α-helix	trans	-65.6	-45.7	177.9	-178.2	63.4	0	0	0	111.7	Y600 F602 T607 L608 V655	Y600-L604 HydrophobicContact CE1-CD2 4.25Å; Y600-L604 WeakPolarHBondContact O-CB 3.25Å; Y600-L604 PolarHBondContact O-N 3.02Å; F602-L604 VanDerWaalsContact C-N 3.29Å; F602-L604 PolarHBondContact O-N 2.97Å; L604-T607 PolarHBondContact O-N 2.91Å; L604-L608 HydrophobicContact CD1-CD1 4.05Å; L604-L608 HydrophobicContact CD1-CG 4.16Å; L604-L608 HydrophobicContact CG-CD1 3.88Å; L604-L608 HydrophobicContact CG-CG 4.39Å; L604-L608 WeakPolarHBondContact O-CB 3.48Å; L604-L608 VanDerWaalsContact O-CG 3.26Å; L604-L608 WeakPolarHBondContact O-CG 3.48Å; L604-L608 PolarHBondContact O-N 3.5Å; L604-V655 HydrophobicContact CD1-CG1 4.44Å
605	L	89.3	Confident	88.5	Confident	87 Å²	87	57.4 Å²	57.4	46%	0.455	31%	0.306	S	S	.	.	H	α-helix	trans	-60.3	-47.4	177.9	179.5	63.6	0	0	0	111.1	S601 F602 L608 L609	S601-L605 VanDerWaalsContact O-CB 3.28Å; S601-L605 WeakPolarHBondContact O-CB 3.18Å; S601-L605 PolarHBondContact O-N 2.93Å; F602-L605 PolarHBondContact O-N 2.8Å; L605-L608 PolarHBondContact O-N 3.4Å; L605-L609 VanDerWaalsContact O-CB 3.23Å; L605-L609 WeakPolarHBondContact O-CB 3.49Å; L605-L609 PolarHBondContact O-N 2.83Å
606	S	86.4	Confident	88.9	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.014	29%	0.294	C	S	.	.	H	α-helix	trans	-58.3	-50.6	177.5	-60.3	0	0	0	0	110.9	F602 L608 L609 L610 F778	F602-S606 PolarHBondContact O-N 2.81Å; F602-S606 PolarHBondContact O-OG 2.92Å; F602-S606 VanDerWaalsContact O-OG 3.09Å; S606-L608 PolarHBondContact O-N 3.38Å; S606-L609 PolarHBondContact O-N 3.25Å; S606-L610 WeakPolarHBondContact O-CD1 3.19Å; S606-L610 PolarHBondContact O-N 2.8Å; S606-L610 VanDerWaalsContact O-N 3.11Å; S606-F778 WeakPolarHBondContact OG-CD2 3.22Å
607	T	89.2	Confident	89.5	Confident	13 Å²	13	51.7 Å²	51.7	8%	0.08	27%	0.271	C	S	.	.	H	α-helix	trans	-58.8	-46.8	178.8	-49.8	0	0	0	0	112	Q603 L604 L609 C611 Q651 V655	Q603-T607 WeakPolarHBondContact O-CB 3.49Å; Q603-T607 PolarHBondContact O-N 3.03Å; Q603-T607 PolarHBondContact O-OG1 3.4Å; L604-T607 PolarHBondContact O-N 2.91Å; T607-L609 VanDerWaalsContact C-N 3.33Å; T607-L609 PolarHBondContact O-N 3.46Å; T607-C611 VanDerWaalsContact O-CB 3.27Å; T607-C611 WeakPolarHBondContact O-CB 3.41Å; T607-C611 PolarHBondContact O-N 2.82Å; T607-C611 PolarHBondContact O-SG 2.77Å; T607-Q651 HydrophobicContact CG2-CB 4.44Å; T607-Q651 HydrophobicContact CG2-CG 4.1Å; T607-Q651 WeakPolarHBondContact OG1-CB 3.21Å; T607-Q651 WeakPolarHBondContact OG1-CG 3.47Å; T607-V655 WeakPolarHBondContact OG1-CG2 3.31Å
608	L	90.8	Very high	90	Very high	79 Å²	79	54 Å²	54	41%	0.414	28%	0.283	S	S	.	.	H	α-helix	trans	-63.2	-39.4	178.1	-73.4	173.1	0	0	0	111.9	L604 L605 S606 C611 L612	L604-L608 HydrophobicContact CD1-CD1 4.05Å; L604-L608 HydrophobicContact CD1-CG 4.16Å; L604-L608 HydrophobicContact CG-CD1 3.88Å; L604-L608 HydrophobicContact CG-CG 4.39Å; L604-L608 WeakPolarHBondContact O-CB 3.48Å; L604-L608 VanDerWaalsContact O-CG 3.26Å; L604-L608 WeakPolarHBondContact O-CG 3.48Å; L604-L608 PolarHBondContact O-N 3.5Å; L605-L608 PolarHBondContact O-N 3.4Å; S606-L608 PolarHBondContact O-N 3.38Å; L608-C611 PolarHBondContact O-N 2.91Å; L608-L612 HydrophobicContact CB-CD1 4.3Å; L608-L612 HydrophobicContact CD2-CD1 4.43Å; L608-L612 WeakPolarHBondContact O-CB 3.43Å; L608-L612 WeakPolarHBondContact O-CG 3.4Å; L608-L612 PolarHBondContact O-N 2.79Å
609	L	92.1	Very high	90.5	Very high	57 Å²	57	51.4 Å²	51.4	30%	0.298	28%	0.28	S	S	.	.	H	α-helix	trans	-67.8	-41.9	-176.9	-159.9	135.3	0	0	0	111.4	L605 S606 T607 S613 F778 Y779 S782	L605-L609 VanDerWaalsContact O-CB 3.23Å; L605-L609 WeakPolarHBondContact O-CB 3.49Å; L605-L609 PolarHBondContact O-N 2.83Å; S606-L609 PolarHBondContact O-N 3.25Å; T607-L609 VanDerWaalsContact C-N 3.33Å; T607-L609 PolarHBondContact O-N 3.46Å; L609-S613 VanDerWaalsContact O-CB 3.28Å; L609-S613 WeakPolarHBondContact O-CB 3.36Å; L609-S613 PolarHBondContact O-N 3.33Å; L609-S613 PolarHBondContact O-OG 2.78Å; L609-F778 WeakPolarHBondContact CD2-O 3.22Å; L609-Y779 HydrophobicContact CD1-CD1 4.48Å; L609-Y779 HydrophobicContact CD2-CD1 4.35Å; L609-S782 VanDerWaalsContact CD2-OG 3.29Å; L609-S782 WeakPolarHBondContact CD2-OG 3.3Å; L609-S782 PolarHBondContact O-OG 2.7Å
610	L	91.4	Very high	90.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-69.5	-39.5	172.6	-76.6	85.4	0	0	0	112.9	S606 S613 N614 H647 Y777 F778 S782	S606-L610 WeakPolarHBondContact O-CD1 3.19Å; S606-L610 PolarHBondContact O-N 2.8Å; S606-L610 VanDerWaalsContact O-N 3.11Å; L610-S613 PolarHBondContact O-OG 3.18Å; L610-N614 PolarHBondContact O-ND2 2.59Å; L610-N614 VanDerWaalsContact O-ND2 3.1Å; L610-H647 HydrophobicContact CB-CB 3.76Å; L610-H647 HydrophobicContact CD2-CB 4.03Å; L610-H647 WeakPolarHBondContact CD2-ND1 3.41Å; L610-Y777 HydrophobicContact CD2-CE1 3.76Å; L610-F778 HydrophobicContact CD1-CB 3.34Å; L610-S782 VanDerWaalsContact CA-OG 3.31Å; L610-S782 WeakPolarHBondContact CA-OG 3.41Å; L610-S782 PolarHBondContact N-OG 3.36Å
611	C	92.8	Very high	91.1	Very high	16 Å²	16	43 Å²	43	11%	0.108	24%	0.239	C	C	.	.	H	α-helix	trans	-71.9	-43.4	-178.1	-69.2	0	0	0	0	112.2	T607 L608 T644	T607-C611 VanDerWaalsContact O-CB 3.27Å; T607-C611 WeakPolarHBondContact O-CB 3.41Å; T607-C611 PolarHBondContact O-N 2.82Å; T607-C611 PolarHBondContact O-SG 2.77Å; L608-C611 PolarHBondContact O-N 2.91Å; C611-T644 HydrophobicContact CB-CG2 4.03Å; C611-T644 PolarHBondContact O-OG1 2.91Å; C611-T644 PolarHBondContact SG-O 2.85Å
612	L	93.2	Very high	91.5	Very high	100 Å²	100	41.4 Å²	41.4	52%	0.524	23%	0.231	S	C	.	.	H	α-helix	trans	-77.1	-28.4	-176.5	-66.8	175.1	0	0	0	112.9	L608 N614 L615	L608-L612 HydrophobicContact CB-CD1 4.3Å; L608-L612 HydrophobicContact CD2-CD1 4.43Å; L608-L612 WeakPolarHBondContact O-CB 3.43Å; L608-L612 WeakPolarHBondContact O-CG 3.4Å; L608-L612 PolarHBondContact O-N 2.79Å; L612-N614 PolarHBondContact O-N 3.42Å; L612-L615 HydrophobicContact CD2-CD2 4.29Å; L612-L615 WeakPolarHBondContact O-CB 3.42Å; L612-L615 PolarHBondContact O-N 3.24Å
613	S	95	Very high	91.7	Very high	9 Å²	9	41.7 Å²	41.7	6%	0.063	24%	0.235	C	C	.	.	H	α-helix	trans	-60.5	-31.6	175.4	55.8	0	0	0	0	112.4	L609 L610 L615 M616 S782	L609-S613 VanDerWaalsContact O-CB 3.28Å; L609-S613 WeakPolarHBondContact O-CB 3.36Å; L609-S613 PolarHBondContact O-N 3.33Å; L609-S613 PolarHBondContact O-OG 2.78Å; L610-S613 PolarHBondContact O-OG 3.18Å; S613-L615 PolarHBondContact O-N 2.97Å; S613-M616 VanDerWaalsContact O-CB 3.27Å; S613-M616 WeakPolarHBondContact O-CB 3.41Å; S613-M616 WeakPolarHBondContact O-CG 3.25Å; S613-M616 PolarHBondContact O-N 2.98Å; S613-M616 VanDerWaalsContact O-N 3.09Å; S613-S782 WeakPolarHBondContact CB-O 3.33Å
614	N	93.7	Very high	91.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-64.4	-22.3	174.6	-86.3	-70.6	0	0	0	114.4	L610 L612 M616 F617 S643 T644	L610-N614 PolarHBondContact O-ND2 2.59Å; L610-N614 VanDerWaalsContact O-ND2 3.1Å; L612-N614 PolarHBondContact O-N 3.42Å; N614-M616 PolarHBondContact O-N 3.14Å; N614-M616 VanDerWaalsContact O-N 3.08Å; N614-F617 WeakPolarHBondContact O-CD2 3.39Å; N614-F617 PolarHBondContact O-N 2.95Å; N614-F617 VanDerWaalsContact O-N 3.08Å; N614-S643 PolarHBondContact ND2-OG 2.85Å; N614-S643 WeakPolarHBondContact OD1-CB 3.46Å; N614-S643 PolarHBondContact OD1-OG 2.85Å; N614-S643 VanDerWaalsContact OD1-OG 3.04Å; N614-T644 VanDerWaalsContact CB-OG1 3.28Å; N614-T644 WeakPolarHBondContact CB-OG1 3.36Å
615	L	93.4	Very high	92.1	Very high	85 Å²	85	42.3 Å²	42.3	45%	0.445	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-65.2	-11.8	173.4	-83.5	62.2	0	0	0	112.3	L612 S613 F617 V618	L612-L615 HydrophobicContact CD2-CD2 4.29Å; L612-L615 WeakPolarHBondContact O-CB 3.42Å; L612-L615 PolarHBondContact O-N 3.24Å; S613-L615 PolarHBondContact O-N 2.97Å; L615-F617 PolarHBondContact O-N 2.92Å; L615-F617 VanDerWaalsContact O-N 3.1Å; L615-V618 VanDerWaalsContact O-CB 3.29Å; L615-V618 WeakPolarHBondContact O-CB 3.44Å; L615-V618 VanDerWaalsContact O-CG2 3.27Å; L615-V618 WeakPolarHBondContact O-CG2 3.17Å; L615-V618 PolarHBondContact O-N 3.15Å
616	M	93.6	Very high	92.1	Very high	65 Å²	65	48.5 Å²	48.5	32%	0.32	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-63.9	-8.1	170	-70.5	-57.1	-62	0	0	113.9	S613 N614 V618 P619 P620 M786 A789	S613-M616 VanDerWaalsContact O-CB 3.27Å; S613-M616 WeakPolarHBondContact O-CB 3.41Å; S613-M616 WeakPolarHBondContact O-CG 3.25Å; S613-M616 PolarHBondContact O-N 2.98Å; S613-M616 VanDerWaalsContact O-N 3.09Å; N614-M616 PolarHBondContact O-N 3.14Å; N614-M616 VanDerWaalsContact O-N 3.08Å; M616-V618 VanDerWaalsContact C-N 3.31Å; M616-P619 WeakPolarHBondContact O-CD 3.43Å; M616-P620 VanDerWaalsContact O-CD 3.24Å; M616-P620 WeakPolarHBondContact O-CD 3.25Å; M616-M786 HydrophobicContact CE-CE 4.33Å; M616-M786 HydrophobicContact CG-CB 4.06Å; M616-M786 HydrophobicContact CG-CE 3.61Å; M616-M786 HydrophobicContact CG-CG 3.73Å; M616-M786 HydrophobicContact SD-CE 3.69Å; M616-A789 HydrophobicContact CB-CB 3.93Å; M616-A789 WeakPolarHBondContact O-CB 3.48Å
617	F	93.4	Very high	92	Very high	3 Å²	3	49.4 Å²	49.4	1%	0.013	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-75.7	-14.4	166.8	-81.1	-77.3	0	0	0	113.9	N614 L615 P620 V621 T639 M640 A789	N614-F617 WeakPolarHBondContact O-CD2 3.39Å; N614-F617 PolarHBondContact O-N 2.95Å; N614-F617 VanDerWaalsContact O-N 3.08Å; L615-F617 PolarHBondContact O-N 2.92Å; L615-F617 VanDerWaalsContact O-N 3.1Å; F617-P620 VanDerWaalsContact O-CD 3.27Å; F617-P620 WeakPolarHBondContact O-CD 3.47Å; F617-V621 WeakPolarHBondContact O-CB 3.49Å; F617-V621 WeakPolarHBondContact O-CG2 3.18Å; F617-V621 PolarHBondContact O-N 3.3Å; F617-T639 HydrophobicContact CE2-CG2 4.11Å; F617-T639 HydrophobicContact CZ-CG2 3.97Å; F617-M640 HydrophobicContact CB-CB 3.91Å; F617-M640 HydrophobicContact CB-CG 4.18Å; F617-M640 HydrophobicContact CB-SD 4.42Å; F617-M640 HydrophobicContact CG-CB 4.44Å; F617-A789 HydrophobicContact CD1-CB 3.92Å; F617-A789 HydrophobicContact CD2-CB 3.86Å; F617-A789 HydrophobicContact CE1-CB 3.97Å; F617-A789 HydrophobicContact CE2-CB 3.91Å; F617-A789 HydrophobicContact CG-CB 3.87Å; F617-A789 HydrophobicContact CZ-CB 3.96Å
618	V	94.7	Very high	91.9	Very high	77 Å²	77	54.4 Å²	54.4	47%	0.467	28%	0.284	S	S	.	.	H	α-helix	trans	-60.3	-47.9	179.3	173.3	0	0	0	0	112.7	L615 M616 V621 A622 M640	L615-V618 VanDerWaalsContact O-CB 3.29Å; L615-V618 WeakPolarHBondContact O-CB 3.44Å; L615-V618 VanDerWaalsContact O-CG2 3.27Å; L615-V618 WeakPolarHBondContact O-CG2 3.17Å; L615-V618 PolarHBondContact O-N 3.15Å; M616-V618 VanDerWaalsContact C-N 3.31Å; V618-V621 PolarHBondContact O-N 2.8Å; V618-A622 WeakPolarHBondContact O-CB 3.36Å; V618-A622 PolarHBondContact O-N 3.38Å; V618-M640 HydrophobicContact CG2-SD 3.79Å
619	P	92.5	Very high	91.8	Very high	65 Å²	65	52.4 Å²	52.4	42%	0.422	27%	0.271	S	S	.	.	H	α-helix	trans	-61.3	-47.5	176.2	-17.2	28.1	0	0	0	113.9	M616 V621 A622 I623	M616-P619 WeakPolarHBondContact O-CD 3.43Å; P619-V621 VanDerWaalsContact C-N 3.33Å; P619-V621 PolarHBondContact O-N 3.21Å; P619-A622 PolarHBondContact O-N 3.06Å; P619-I623 VanDerWaalsContact O-CG1 3.28Å; P619-I623 WeakPolarHBondContact O-CG1 3.43Å; P619-I623 PolarHBondContact O-N 2.87Å
620	P	91.9	Very high	91.7	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.013	29%	0.286	C	S	.	.	H	α-helix	trans	-55	-42.4	171.9	-27.4	33.4	0	0	0	114.2	M616 F617 I623 A624 Y636 A789 V792	M616-P620 VanDerWaalsContact O-CD 3.24Å; M616-P620 WeakPolarHBondContact O-CD 3.25Å; F617-P620 VanDerWaalsContact O-CD 3.27Å; F617-P620 WeakPolarHBondContact O-CD 3.47Å; P620-I623 PolarHBondContact O-N 2.97Å; P620-A624 VanDerWaalsContact O-CB 3.3Å; P620-A624 WeakPolarHBondContact O-CB 3.02Å; P620-A624 PolarHBondContact O-N 2.87Å; P620-Y636 HydrophobicContact CB-CD2 4.39Å; P620-A789 WeakPolarHBondContact CG-O 3.27Å; P620-V792 HydrophobicContact CB-CG1 4.17Å
621	V	94.3	Very high	91.6	Very high	17 Å²	17	59.6 Å²	59.6	10%	0.103	31%	0.309	C	S	.	.	H	α-helix	trans	-60.8	-48.4	175.6	169.4	0	0	0	0	110.8	F617 V618 P619 I623 A624 I625 Y636 I637	F617-V621 WeakPolarHBondContact O-CB 3.49Å; F617-V621 WeakPolarHBondContact O-CG2 3.18Å; F617-V621 PolarHBondContact O-N 3.3Å; V618-V621 PolarHBondContact O-N 2.8Å; P619-V621 VanDerWaalsContact C-N 3.33Å; P619-V621 PolarHBondContact O-N 3.21Å; V621-I623 VanDerWaalsContact C-N 3.34Å; V621-I623 PolarHBondContact O-N 2.03Å; V621-A624 PolarHBondContact O-N 2.77Å; V621-I625 HydrophobicContact CG1-CD1 3.73Å; V621-I625 HydrophobicContact CG1-CG1 4.41Å; V621-I625 WeakPolarHBondContact O-CG1 3.47Å; V621-I625 PolarHBondContact O-N 3.27Å; V621-Y636 HydrophobicContact CG2-CD2 4.47Å; V621-I637 HydrophobicContact CG1-CD1 3.94Å; V621-I637 HydrophobicContact CG1-CG1 3.78Å; V621-I637 HydrophobicContact CG2-CG1 3.88Å
622	A	92.6	Very high	91.6	Very high	55 Å²	55	59 Å²	59	46%	0.455	30%	0.304	S	S	.	.	H	α-helix	trans	-61.5	-41.6	178.8	0	0	0	0	0	112.2	V618 P619 R626	V618-A622 WeakPolarHBondContact O-CB 3.36Å; V618-A622 PolarHBondContact O-N 3.38Å; P619-A622 PolarHBondContact O-N 3.06Å; A622-R626 VanDerWaalsContact O-CB 3.29Å; A622-R626 WeakPolarHBondContact O-CB 3.03Å; A622-R626 PolarHBondContact O-N 2.89Å
623	I	90.6	Very high	91.7	Very high	70 Å²	70	54.4 Å²	54.4	36%	0.359	28%	0.28	S	S	.	.	H	α-helix	trans	-63.9	-43.7	175.8	-67.7	165.5	0	0	0	110.8	P619 P620 V621 S627 L796	P619-I623 VanDerWaalsContact O-CG1 3.28Å; P619-I623 WeakPolarHBondContact O-CG1 3.43Å; P619-I623 PolarHBondContact O-N 2.87Å; P620-I623 PolarHBondContact O-N 2.97Å; V621-I623 VanDerWaalsContact C-N 3.34Å; V621-I623 PolarHBondContact O-N 2.03Å; I623-S627 WeakPolarHBondContact O-CB 3.27Å; I623-S627 PolarHBondContact O-N 3.34Å; I623-S627 PolarHBondContact O-OG 2.03Å; I623-L796 HydrophobicContact CG2-CB 4.47Å
624	A	91.2	Very high	91.7	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-64.5	-45.8	179.6	0	0	0	0	0	111.8	P620 V621 S627 H628 Y629 A633 Y636 L796	P620-A624 VanDerWaalsContact O-CB 3.3Å; P620-A624 WeakPolarHBondContact O-CB 3.02Å; P620-A624 PolarHBondContact O-N 2.87Å; V621-A624 PolarHBondContact O-N 2.77Å; A624-S627 CarbonylContact O-C 3.59Å; A624-S627 PolarHBondContact O-N 2.93Å; A624-H628 PolarHBondContact O-N 2.79Å; A624-Y629 PolarHBondContact O-N 2.82Å; A624-A633 HydrophobicContact CB-CB 3.87Å; A624-Y636 HydrophobicContact CB-CD2 4.37Å; A624-Y636 HydrophobicContact CB-CE2 4.16Å; A624-L796 HydrophobicContact CB-CD1 4.45Å
625	I	91.2	Very high	91.7	Very high	86 Å²	86	58.3 Å²	58.3	44%	0.441	31%	0.307	S	S	.	.	H	α-helix	trans	-61.1	-50.1	175.9	-67.6	170.2	0	0	0	110.5	V621 S627 H628 A633	V621-I625 HydrophobicContact CG1-CD1 3.73Å; V621-I625 HydrophobicContact CG1-CG1 4.41Å; V621-I625 WeakPolarHBondContact O-CG1 3.47Å; V621-I625 PolarHBondContact O-N 3.27Å; I625-S627 PolarHBondContact O-N 2.84Å; I625-H628 PolarHBondContact O-N 2.97Å; I625-A633 HydrophobicContact CG1-CB 3.87Å
626	R	89.8	Confident	91.8	Very high	218 Å²	218	54.2 Å²	54.2	82%	0.823	29%	0.285	S	S	*	.	H	α-helix	trans	-59.8	-31	178.2	-175.7	177.6	177.1	128.3	0.9	112.5	A622	A622-R626 VanDerWaalsContact O-CB 3.29Å; A622-R626 WeakPolarHBondContact O-CB 3.03Å; A622-R626 PolarHBondContact O-N 2.89Å
627	S	84.8	Confident	91.9	Very high	21 Å²	21	54.9 Å²	54.9	15%	0.147	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	1.3	-180	-56.8	0	0	0	0	113.8	I623 A624 I625	I623-S627 WeakPolarHBondContact O-CB 3.27Å; I623-S627 PolarHBondContact O-N 3.34Å; I623-S627 PolarHBondContact O-OG 2.03Å; A624-S627 CarbonylContact O-C 3.59Å; A624-S627 PolarHBondContact O-N 2.93Å; I625-S627 PolarHBondContact O-N 2.84Å
628	H	87.2	Confident	92	Very high	117 Å²	117	58.3 Å²	58.3	54%	0.542	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	31.7	-176.5	-61.3	-100.4	0	0	0	115.6	A624 I625 L630 R799	A624-H628 PolarHBondContact O-N 2.79Å; I625-H628 PolarHBondContact O-N 2.97Å; H628-L630 PolarHBondContact O-N 2.73Å; H628-R799 PolarHBondContact CD2-NH1 3.09Å; H628-R799 PolarHBondContact NE2-NH1 3.29Å
629	Y	88.1	Confident	92	Very high	37 Å²	37	54.7 Å²	54.7	15%	0.145	28%	0.282	C	S	.	.			trans	-92.9	69.2	169.5	-66.3	-68.8	0	0	0	110.2	A624 L631 E632 A633 L796 P797	A624-Y629 PolarHBondContact O-N 2.82Å; Y629-L631 PolarHBondContact O-N 3.27Å; Y629-E632 WeakPolarHBondContact CB-OE2 3.38Å; Y629-E632 VanDerWaalsContact CD1-OE1 3.28Å; Y629-E632 WeakPolarHBondContact CD1-OE1 3.29Å; Y629-E632 PolarHBondContact O-N 2.73Å; Y629-A633 WeakPolarHBondContact O-CB 3.45Å; Y629-A633 PolarHBondContact O-N 3.05Å; Y629-L796 HydrophobicContact CD2-CD2 4.12Å; Y629-L796 HydrophobicContact CG-CD2 4.49Å; Y629-P797 HydrophobicContact CE2-CG 4.48Å; Y629-P797 WeakPolarHBondContact CE2-O 3.04Å; Y629-P797 PolarHBondContact OH-O 2.86Å
630	L	89.8	Confident	92.2	Very high	118 Å²	118	53.7 Å²	53.7	62%	0.618	27%	0.272	S	S	*	.	H	α-helix	trans	-67.6	-34.7	-172.2	-63.3	179.2	0	0	0	113.5	H628 S634	H628-L630 PolarHBondContact O-N 2.73Å; L630-S634 PolarHBondContact O-N 3.26Å
631	L	90.7	Very high	92.3	Very high	91 Å²	91	57.9 Å²	57.9	48%	0.476	29%	0.291	S	S	.	.	H	α-helix	trans	-63.7	-49.8	175.7	-86.9	151.2	0	0	0	110.4	Y629 A633 S634 V635 Y696	Y629-L631 PolarHBondContact O-N 3.27Å; L631-A633 PolarHBondContact O-N 3.33Å; L631-S634 PolarHBondContact O-N 2.97Å; L631-S634 PolarHBondContact O-OG 2.92Å; L631-V635 PolarHBondContact O-N 3.03Å; L631-Y696 HydrophobicContact CB-CE2 4.27Å; L631-Y696 HydrophobicContact CD1-CD2 4.36Å; L631-Y696 HydrophobicContact CD1-CE2 4.47Å
632	E	92.8	Very high	92.4	Very high	3 Å²	3	59 Å²	59	1%	0.014	30%	0.295	C	S	.	.	H	α-helix	trans	-62.5	-43.7	177.6	-61	91.1	144.1	0	0	111.4	Y629 S634 V635 Y636 V679 A683 K692 Y696	Y629-E632 WeakPolarHBondContact CB-OE2 3.38Å; Y629-E632 VanDerWaalsContact CD1-OE1 3.28Å; Y629-E632 WeakPolarHBondContact CD1-OE1 3.29Å; Y629-E632 PolarHBondContact O-N 2.73Å; E632-S634 VanDerWaalsContact C-N 3.29Å; E632-S634 PolarHBondContact O-N 3.26Å; E632-V635 PolarHBondContact O-N 3.22Å; E632-Y636 HydrophobicContact CB-CE2 3.98Å; E632-Y636 VanDerWaalsContact O-CD2 3.28Å; E632-Y636 WeakPolarHBondContact O-CD2 3.3Å; E632-Y636 VanDerWaalsContact O-CG 3.24Å; E632-Y636 PolarHBondContact O-N 3.15Å; E632-V679 HydrophobicContact CB-CG2 4.38Å; E632-V679 HydrophobicContact CG-CB 4.28Å; E632-V679 HydrophobicContact CG-CG2 4.18Å; E632-A683 HydrophobicContact CG-CB 4.39Å; E632-A683 WeakPolarHBondContact OE1-CB 3.44Å; E632-K692 WeakPolarHBondContact OE1-CE 3.48Å; E632-K692 IonicContact OE1-NZ 2.65Å; E632-K692 PolarHBondContact OE1-NZ 3.35Å; E632-K692 IonicContact OE2-NZ 3.89Å; E632-Y696 PolarHBondContact OE1-OH 2.87Å
633	A	93.9	Very high	92.4	Very high	3 Å²	3	56.4 Å²	56.4	3%	0.025	27%	0.273	C	S	.	.	H	α-helix	trans	-58.2	-39.9	175.2	0	0	0	0	0	112.4	A624 I625 Y629 L631 Y636 I637	A624-A633 HydrophobicContact CB-CB 3.87Å; I625-A633 HydrophobicContact CG1-CB 3.87Å; Y629-A633 WeakPolarHBondContact O-CB 3.45Å; Y629-A633 PolarHBondContact O-N 3.05Å; L631-A633 PolarHBondContact O-N 3.33Å; A633-Y636 PolarHBondContact O-N 3.11Å; A633-I637 WeakPolarHBondContact O-CD1 3.42Å; A633-I637 VanDerWaalsContact O-CG1 3.26Å; A633-I637 WeakPolarHBondContact O-CG1 3.38Å; A633-I637 PolarHBondContact O-N 3.07Å
634	S	94.6	Very high	92.6	Very high	65 Å²	65	54.4 Å²	54.4	46%	0.455	26%	0.264	S	S	.	.	H	α-helix	trans	-64.9	-38.7	177.8	71.5	0	0	0	0	112.8	L630 L631 E632 I637 F638	L630-S634 PolarHBondContact O-N 3.26Å; L631-S634 PolarHBondContact O-N 2.97Å; L631-S634 PolarHBondContact O-OG 2.92Å; E632-S634 VanDerWaalsContact C-N 3.29Å; E632-S634 PolarHBondContact O-N 3.26Å; S634-I637 PolarHBondContact O-N 3.16Å; S634-F638 WeakPolarHBondContact O-CB 3.35Å; S634-F638 PolarHBondContact O-N 2.66Å
635	V	95.2	Very high	92.7	Very high	26 Å²	26	57 Å²	57	16%	0.158	28%	0.275	C	S	.	.	H	α-helix	trans	-68.4	-39.8	177	176.9	0	0	0	0	111.2	L631 E632 F638 T639 M675 V679	L631-V635 PolarHBondContact O-N 3.03Å; E632-V635 PolarHBondContact O-N 3.22Å; V635-F638 WeakPolarHBondContact O-CB 3.15Å; V635-F638 PolarHBondContact O-N 2.82Å; V635-T639 WeakPolarHBondContact O-CB 3.34Å; V635-T639 PolarHBondContact O-N 3.07Å; V635-T639 PolarHBondContact O-OG1 3.24Å; V635-M675 HydrophobicContact CG1-CB 3.77Å; V635-V679 HydrophobicContact CB-CG2 4.25Å; V635-V679 HydrophobicContact CG1-CG2 4.19Å; V635-V679 HydrophobicContact CG2-CG1 4.28Å
636	Y	95.5	Very high	92.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-67.3	-39.3	176.5	-55.5	-28.2	0	0	0	112.3	P620 V621 A624 E632 A633 T639 M640 V679 T680 V792 L796	P620-Y636 HydrophobicContact CB-CD2 4.39Å; V621-Y636 HydrophobicContact CG2-CD2 4.47Å; A624-Y636 HydrophobicContact CB-CD2 4.37Å; A624-Y636 HydrophobicContact CB-CE2 4.16Å; E632-Y636 HydrophobicContact CB-CE2 3.98Å; E632-Y636 VanDerWaalsContact O-CD2 3.28Å; E632-Y636 WeakPolarHBondContact O-CD2 3.3Å; E632-Y636 VanDerWaalsContact O-CG 3.24Å; E632-Y636 PolarHBondContact O-N 3.15Å; A633-Y636 PolarHBondContact O-N 3.11Å; Y636-T639 PolarHBondContact O-N 2.89Å; Y636-M640 WeakPolarHBondContact O-CB 3.38Å; Y636-M640 PolarHBondContact O-N 2.95Å; Y636-V679 HydrophobicContact CE1-CG2 4.09Å; Y636-T680 PolarHBondContact OH-OG1 3.33Å; Y636-V792 HydrophobicContact CD1-CG1 4.46Å; Y636-V792 HydrophobicContact CE1-CG1 3.72Å; Y636-V792 HydrophobicContact CE2-CG1 3.89Å; Y636-V792 VanDerWaalsContact CZ-CG1 3.4Å; Y636-V792 WeakPolarHBondContact OH-CG1 3.45Å; Y636-L796 HydrophobicContact CE2-CD1 3.91Å
637	I	96	Very high	92.8	Very high	78 Å²	78	43 Å²	43	40%	0.4	22%	0.217	S	C	.	.	H	α-helix	trans	-63.5	-44.7	174.1	-69.7	164.7	0	0	0	110.5	V621 A633 S634 T639 M640 F641	V621-I637 HydrophobicContact CG1-CD1 3.94Å; V621-I637 HydrophobicContact CG1-CG1 3.78Å; V621-I637 HydrophobicContact CG2-CG1 3.88Å; A633-I637 WeakPolarHBondContact O-CD1 3.42Å; A633-I637 VanDerWaalsContact O-CG1 3.26Å; A633-I637 WeakPolarHBondContact O-CG1 3.38Å; A633-I637 PolarHBondContact O-N 3.07Å; S634-I637 PolarHBondContact O-N 3.16Å; I637-T639 VanDerWaalsContact C-N 3.35Å; I637-T639 PolarHBondContact O-N 2.91Å; I637-M640 PolarHBondContact O-N 3.18Å; I637-F641 WeakPolarHBondContact O-CB 3.08Å; I637-F641 PolarHBondContact O-N 2.78Å
638	F	95.4	Very high	93	Very high	76 Å²	76	42.6 Å²	42.6	33%	0.333	22%	0.215	S	C	.	.	H	α-helix	trans	-57.2	-49	175.7	177.2	-85.7	0	0	0	111.2	S634 V635 F641 F642 C668	S634-F638 WeakPolarHBondContact O-CB 3.35Å; S634-F638 PolarHBondContact O-N 2.66Å; V635-F638 WeakPolarHBondContact O-CB 3.15Å; V635-F638 PolarHBondContact O-N 2.82Å; F638-F641 PolarHBondContact O-N 2.83Å; F638-F642 HydrophobicContact CD1-CD2 4.12Å; F638-F642 AromaticContact CD2-CD2 3.57Å; F638-F642 HydrophobicContact CD2-CD2 3.57Å; F638-F642 AromaticContact CD2-CE2 3.49Å; F638-F642 HydrophobicContact CD2-CE2 3.49Å; F638-F642 VanDerWaalsContact CD2-CE2 3.49Å; F638-F642 AromaticContact CE1-CD2 3.93Å; F638-F642 HydrophobicContact CE1-CD2 3.93Å; F638-F642 AromaticContact CE2-CD2 3.36Å; F638-F642 HydrophobicContact CE2-CD2 3.36Å; F638-F642 AromaticContact CE2-CE2 3.19Å; F638-F642 HydrophobicContact CE2-CE2 3.19Å; F638-F642 HydrophobicContact CE2-CG 4.49Å; F638-F642 HydrophobicContact CE2-CZ 4.21Å; F638-F642 AromaticContact CG-CD2 3.94Å; F638-F642 HydrophobicContact CG-CD2 3.94Å; F638-F642 HydrophobicContact CG-CE2 4.31Å; F638-F642 AromaticContact CZ-CD2 3.54Å; F638-F642 HydrophobicContact CZ-CD2 3.54Å; F638-F642 AromaticContact CZ-CE2 3.8Å; F638-F642 HydrophobicContact CZ-CE2 3.8Å; F638-F642 HydrophobicContact CZ-CG 4.33Å; F638-F642 WeakPolarHBondContact O-CD2 3.28Å; F638-F642 PolarHBondContact O-N 2.92Å; F638-C668 HydrophobicContact CE1-CB 4.33Å; F638-C668 HydrophobicContact CZ-CB 4.02Å
639	T	94.8	Very high	93.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.2	-50.3	179.8	-53.9	0	0	0	0	111.1	F617 V635 Y636 I637 F641 S643 G672 S676	F617-T639 HydrophobicContact CE2-CG2 4.11Å; F617-T639 HydrophobicContact CZ-CG2 3.97Å; V635-T639 WeakPolarHBondContact O-CB 3.34Å; V635-T639 PolarHBondContact O-N 3.07Å; V635-T639 PolarHBondContact O-OG1 3.24Å; Y636-T639 PolarHBondContact O-N 2.89Å; I637-T639 VanDerWaalsContact C-N 3.35Å; I637-T639 PolarHBondContact O-N 2.91Å; T639-F641 VanDerWaalsContact C-N 3.34Å; T639-F641 PolarHBondContact O-N 2.64Å; T639-S643 WeakPolarHBondContact O-CB 3.48Å; T639-S643 PolarHBondContact O-N 2.84Å; T639-G672 VanDerWaalsContact OG1-CA 3.31Å; T639-G672 WeakPolarHBondContact OG1-CA 3.49Å; T639-G672 PolarHBondContact OG1-O 3.26Å; T639-S676 PolarHBondContact OG1-OG 2.88Å
640	M	95.6	Very high	92.9	Very high	44 Å²	44	37.6 Å²	37.6	22%	0.217	20%	0.195	C	C	.	.	H	α-helix	trans	-55.5	-48.2	177.7	-177.2	-171	74.8	0	0	111.7	F617 V618 Y636 I637 T644	F617-M640 HydrophobicContact CB-CB 3.91Å; F617-M640 HydrophobicContact CB-CG 4.18Å; F617-M640 HydrophobicContact CB-SD 4.42Å; F617-M640 HydrophobicContact CG-CB 4.44Å; V618-M640 HydrophobicContact CG2-SD 3.79Å; Y636-M640 WeakPolarHBondContact O-CB 3.38Å; Y636-M640 PolarHBondContact O-N 2.95Å; I637-M640 PolarHBondContact O-N 3.18Å; M640-T644 WeakPolarHBondContact O-CB 3.4Å; M640-T644 PolarHBondContact O-N 2.86Å; M640-T644 VanDerWaalsContact O-N 3.16Å; M640-T644 PolarHBondContact O-OG1 3.34Å
641	F	95.1	Very high	92.5	Very high	90 Å²	90	32.9 Å²	32.9	40%	0.395	17%	0.17	S	C	.	.	H	α-helix	trans	-64.1	-56.8	-178.3	-179.3	-89	0	0	0	111.6	I637 F638 T639 S643 T644 F645 I659	I637-F641 WeakPolarHBondContact O-CB 3.08Å; I637-F641 PolarHBondContact O-N 2.78Å; F638-F641 PolarHBondContact O-N 2.83Å; T639-F641 VanDerWaalsContact C-N 3.34Å; T639-F641 PolarHBondContact O-N 2.64Å; F641-S643 PolarHBondContact O-N 3.16Å; F641-T644 PolarHBondContact O-N 3.3Å; F641-F645 HydrophobicContact CD1-CD2 4.08Å; F641-F645 HydrophobicContact CD1-CE2 4.48Å; F641-F645 HydrophobicContact CD2-CD2 4.03Å; F641-F645 AromaticContact CD2-CE2 3.65Å; F641-F645 HydrophobicContact CD2-CE2 3.65Å; F641-F645 AromaticContact CE1-CD2 3.87Å; F641-F645 HydrophobicContact CE1-CD2 3.87Å; F641-F645 HydrophobicContact CE1-CE2 4.18Å; F641-F645 AromaticContact CE2-CD2 3.85Å; F641-F645 HydrophobicContact CE2-CD2 3.85Å; F641-F645 AromaticContact CE2-CE2 3.31Å; F641-F645 HydrophobicContact CE2-CE2 3.31Å; F641-F645 HydrophobicContact CE2-CZ 4.29Å; F641-F645 HydrophobicContact CG-CD2 4.15Å; F641-F645 HydrophobicContact CG-CE2 4.24Å; F641-F645 AromaticContact CZ-CD2 3.75Å; F641-F645 HydrophobicContact CZ-CD2 3.75Å; F641-F645 AromaticContact CZ-CE2 3.59Å; F641-F645 HydrophobicContact CZ-CE2 3.59Å; F641-F645 WeakPolarHBondContact O-CD2 3.46Å; F641-F645 PolarHBondContact O-N 2.78Å; F641-I659 HydrophobicContact CE1-CD1 4.09Å; F641-I659 HydrophobicContact CZ-CD1 3.98Å
642	F	95.2	Very high	91.3	Very high	42 Å²	42	31.5 Å²	31.5	18%	0.184	17%	0.166	C	C	.	.	H	α-helix	trans	-70.9	-32.6	-173.9	-76.4	-72.1	0	0	0	112.9	F638 Y646 M660 L665 C668	F638-F642 HydrophobicContact CD1-CD2 4.12Å; F638-F642 AromaticContact CD2-CD2 3.57Å; F638-F642 HydrophobicContact CD2-CD2 3.57Å; F638-F642 AromaticContact CD2-CE2 3.49Å; F638-F642 HydrophobicContact CD2-CE2 3.49Å; F638-F642 VanDerWaalsContact CD2-CE2 3.49Å; F638-F642 AromaticContact CE1-CD2 3.93Å; F638-F642 HydrophobicContact CE1-CD2 3.93Å; F638-F642 AromaticContact CE2-CD2 3.36Å; F638-F642 HydrophobicContact CE2-CD2 3.36Å; F638-F642 AromaticContact CE2-CE2 3.19Å; F638-F642 HydrophobicContact CE2-CE2 3.19Å; F638-F642 HydrophobicContact CE2-CG 4.49Å; F638-F642 HydrophobicContact CE2-CZ 4.21Å; F638-F642 AromaticContact CG-CD2 3.94Å; F638-F642 HydrophobicContact CG-CD2 3.94Å; F638-F642 HydrophobicContact CG-CE2 4.31Å; F638-F642 AromaticContact CZ-CD2 3.54Å; F638-F642 HydrophobicContact CZ-CD2 3.54Å; F638-F642 AromaticContact CZ-CE2 3.8Å; F638-F642 HydrophobicContact CZ-CE2 3.8Å; F638-F642 HydrophobicContact CZ-CG 4.33Å; F638-F642 WeakPolarHBondContact O-CD2 3.28Å; F638-F642 PolarHBondContact O-N 2.92Å; F642-Y646 WeakPolarHBondContact O-CB 3.49Å; F642-Y646 PolarHBondContact O-N 2.98Å; F642-M660 HydrophobicContact CE1-CE 4.03Å; F642-L665 HydrophobicContact CD1-CD2 3.99Å; F642-L665 HydrophobicContact CE1-CD2 4.49Å; F642-C668 HydrophobicContact CB-CB 3.71Å; F642-C668 HydrophobicContact CD1-CB 3.81Å; F642-C668 HydrophobicContact CD2-CB 4.28Å; F642-C668 HydrophobicContact CG-CB 3.66Å
643	S	93.6	Very high	90.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-66.2	-44.3	174.7	-165.9	0	0	0	0	112.2	N614 T639 F641 F645 Y646 H647 D669 H785	N614-S643 PolarHBondContact ND2-OG 2.85Å; N614-S643 WeakPolarHBondContact OD1-CB 3.46Å; N614-S643 PolarHBondContact OD1-OG 2.85Å; N614-S643 VanDerWaalsContact OD1-OG 3.04Å; T639-S643 WeakPolarHBondContact O-CB 3.48Å; T639-S643 PolarHBondContact O-N 2.84Å; F641-S643 PolarHBondContact O-N 3.16Å; S643-F645 PolarHBondContact O-N 2.78Å; S643-Y646 PolarHBondContact O-N 3.32Å; S643-H647 PolarHBondContact O-CD2 2.96Å; S643-H647 VanDerWaalsContact O-CD2 3.28Å; S643-H647 PolarHBondContact O-N 2.94Å; S643-D669 VanDerWaalsContact CA-OD1 3.24Å; S643-D669 WeakPolarHBondContact CA-OD1 3.36Å; S643-D669 WeakPolarHBondContact CB-OD1 3.32Å; S643-D669 PolarHBondContact OG-OD1 3.43Å; S643-H785 PolarHBondContact OG-CE1 3.15Å
644	T	93.6	Very high	89.2	Confident	27 Å²	27	36.4 Å²	36.4	17%	0.166	20%	0.195	C	C	.	.	H	α-helix	trans	-58.8	-48.2	175.6	-66.2	0	0	0	0	111.5	C611 N614 M640 F641 H647 A648	C611-T644 HydrophobicContact CB-CG2 4.03Å; C611-T644 PolarHBondContact O-OG1 2.91Å; C611-T644 PolarHBondContact SG-O 2.85Å; N614-T644 VanDerWaalsContact CB-OG1 3.28Å; N614-T644 WeakPolarHBondContact CB-OG1 3.36Å; M640-T644 WeakPolarHBondContact O-CB 3.4Å; M640-T644 PolarHBondContact O-N 2.86Å; M640-T644 VanDerWaalsContact O-N 3.16Å; M640-T644 PolarHBondContact O-OG1 3.34Å; F641-T644 PolarHBondContact O-N 3.3Å; T644-H647 PolarHBondContact O-N 2.79Å; T644-A648 WeakPolarHBondContact O-CB 3.41Å; T644-A648 PolarHBondContact O-N 3.33Å
645	F	93.1	Very high	88.5	Confident	56 Å²	56	34.4 Å²	34.4	25%	0.246	18%	0.18	C	C	.	.	H	α-helix	trans	-76.3	-27.1	-178.2	-73.7	-69.8	0	0	0	113.8	F641 S643 C649 F657 I659 L665	F641-F645 HydrophobicContact CD1-CD2 4.08Å; F641-F645 HydrophobicContact CD1-CE2 4.48Å; F641-F645 HydrophobicContact CD2-CD2 4.03Å; F641-F645 AromaticContact CD2-CE2 3.65Å; F641-F645 HydrophobicContact CD2-CE2 3.65Å; F641-F645 AromaticContact CE1-CD2 3.87Å; F641-F645 HydrophobicContact CE1-CD2 3.87Å; F641-F645 HydrophobicContact CE1-CE2 4.18Å; F641-F645 AromaticContact CE2-CD2 3.85Å; F641-F645 HydrophobicContact CE2-CD2 3.85Å; F641-F645 AromaticContact CE2-CE2 3.31Å; F641-F645 HydrophobicContact CE2-CE2 3.31Å; F641-F645 HydrophobicContact CE2-CZ 4.29Å; F641-F645 HydrophobicContact CG-CD2 4.15Å; F641-F645 HydrophobicContact CG-CE2 4.24Å; F641-F645 AromaticContact CZ-CD2 3.75Å; F641-F645 HydrophobicContact CZ-CD2 3.75Å; F641-F645 AromaticContact CZ-CE2 3.59Å; F641-F645 HydrophobicContact CZ-CE2 3.59Å; F641-F645 WeakPolarHBondContact O-CD2 3.46Å; F641-F645 PolarHBondContact O-N 2.78Å; S643-F645 PolarHBondContact O-N 2.78Å; F645-C649 WeakPolarHBondContact O-CB 3.32Å; F645-C649 PolarHBondContact O-N 3.39Å; F645-C649 VanDerWaalsContact O-N 3.11Å; F645-F657 HydrophobicContact CD1-CD1 4.08Å; F645-F657 AromaticContact CD1-CE1 3.96Å; F645-F657 HydrophobicContact CD1-CE1 3.96Å; F645-F657 HydrophobicContact CE1-CD1 4.18Å; F645-F657 AromaticContact CE1-CE1 3.77Å; F645-F657 HydrophobicContact CE1-CE1 3.77Å; F645-I659 HydrophobicContact CB-CD1 3.56Å; F645-I659 HydrophobicContact CB-CG1 3.82Å; F645-I659 HydrophobicContact CD1-CD1 3.46Å; F645-I659 VanDerWaalsContact CD1-CD1 3.46Å; F645-I659 HydrophobicContact CD1-CG1 3.7Å; F645-I659 HydrophobicContact CD2-CD1 3.43Å; F645-I659 VanDerWaalsContact CD2-CD1 3.43Å; F645-I659 HydrophobicContact CD2-CG1 4.47Å; F645-I659 HydrophobicContact CE1-CD1 3.95Å; F645-I659 HydrophobicContact CE1-CG1 4.38Å; F645-I659 HydrophobicContact CE2-CD1 3.95Å; F645-I659 HydrophobicContact CG-CD1 3.18Å; F645-I659 HydrophobicContact CG-CG1 3.75Å; F645-I659 HydrophobicContact CZ-CD1 4.18Å; F645-L665 HydrophobicContact CB-CD2 4.37Å
646	Y	92.2	Very high	87.9	Confident	10 Å²	10	36 Å²	36	4%	0.039	19%	0.19	C	C	.	.	H	α-helix	trans	-61	-52.4	169.1	166.1	-113.2	0	0	0	110.4	F642 S643 A648 C649 D650 Y662 L665 Q666 D669	F642-Y646 WeakPolarHBondContact O-CB 3.49Å; F642-Y646 PolarHBondContact O-N 2.98Å; S643-Y646 PolarHBondContact O-N 3.32Å; Y646-A648 VanDerWaalsContact C-N 3.3Å; Y646-A648 PolarHBondContact O-N 2.85Å; Y646-C649 CarbonylContact O-C 3.49Å; Y646-C649 WeakPolarHBondContact O-CA 3.47Å; Y646-C649 WeakPolarHBondContact O-CB 3.41Å; Y646-C649 PolarHBondContact O-N 3.02Å; Y646-D650 HydrophobicContact CE2-CB 4.23Å; Y646-D650 WeakPolarHBondContact O-CB 3.45Å; Y646-D650 PolarHBondContact O-N 3.21Å; Y646-Y662 HydrophobicContact CD2-CE2 4.48Å; Y646-Y662 AromaticContact CE2-CE2 3.82Å; Y646-Y662 HydrophobicContact CE2-CE2 3.82Å; Y646-Y662 AromaticContact CE2-CZ 3.92Å; Y646-L665 HydrophobicContact CD2-CB 4.25Å; Y646-Q666 VanDerWaalsContact CD2-CA 3.46Å; Y646-Q666 HydrophobicContact CD2-CB 3.87Å; Y646-Q666 HydrophobicContact CD2-CG 4.4Å; Y646-Q666 HydrophobicContact CE2-CB 3.46Å; Y646-Q666 VanDerWaalsContact CE2-CB 3.46Å; Y646-Q666 HydrophobicContact CE2-CG 3.6Å; Y646-Q666 PolarHBondContact OH-NE2 2.04Å; Y646-D669 HydrophobicContact CD1-CB 3.77Å; Y646-D669 WeakPolarHBondContact CD1-OD2 3.44Å; Y646-D669 WeakPolarHBondContact CE1-OD2 3.35Å; Y646-D669 HydrophobicContact CG-CB 3.91Å
647	H	91	Very high	87.5	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-68.6	-27.4	179.7	-68.5	-50.5	0	0	0	113.6	L610 S643 T644 C649 Q651 H781 H785	L610-H647 HydrophobicContact CB-CB 3.76Å; L610-H647 HydrophobicContact CD2-CB 4.03Å; L610-H647 WeakPolarHBondContact CD2-ND1 3.41Å; S643-H647 PolarHBondContact O-CD2 2.96Å; S643-H647 VanDerWaalsContact O-CD2 3.28Å; S643-H647 PolarHBondContact O-N 2.94Å; T644-H647 PolarHBondContact O-N 2.79Å; H647-C649 PolarHBondContact O-N 2.99Å; H647-Q651 WeakPolarHBondContact O-CG 3.42Å; H647-H781 AromaticContact CE1-CD2 3.65Å; H647-H781 AromaticContact CE1-NE2 3.55Å; H647-H781 AromaticContact NE2-CD2 3.69Å; H647-H781 AromaticContact NE2-NE2 3.59Å; H647-H785 AromaticContact CD2-NE2 3.6Å; H647-H785 AromaticContact CE1-NE2 3.97Å; H647-H785 AromaticContact NE2-CD2 3.99Å; H647-H785 AromaticContact NE2-CE1 3.63Å; H647-H785 AromaticContact NE2-NE2 2.9Å; H647-H785 PolarHBondContact NE2-NE2 3.31Å
648	A	90.3	Very high	87.1	Confident	12 Å²	12	40.6 Å²	40.6	10%	0.099	21%	0.214	C	C	.	.	H	α-helix	trans	-65.1	-29.1	168.5	0	0	0	0	0	112.5	T644 Y646 F657	T644-A648 WeakPolarHBondContact O-CB 3.41Å; T644-A648 PolarHBondContact O-N 3.33Å; Y646-A648 VanDerWaalsContact C-N 3.3Å; Y646-A648 PolarHBondContact O-N 2.85Å; A648-F657 CarbonylContact C-O 3.49Å; A648-F657 HydrophobicContact CB-CB 4.45Å; A648-F657 PolarHBondContact O-N 3.19Å
649	C	88.4	Confident	87	Confident	9 Å²	9	41.2 Å²	41.2	6%	0.061	22%	0.22	C	C	.	.	H	α-helix	trans	-89	-27.3	179.2	-175.8	0	0	0	0	113.3	F645 Y646 H647 V656 F657 C658 L665	F645-C649 WeakPolarHBondContact O-CB 3.32Å; F645-C649 PolarHBondContact O-N 3.39Å; F645-C649 VanDerWaalsContact O-N 3.11Å; Y646-C649 CarbonylContact O-C 3.49Å; Y646-C649 WeakPolarHBondContact O-CA 3.47Å; Y646-C649 WeakPolarHBondContact O-CB 3.41Å; Y646-C649 PolarHBondContact O-N 3.02Å; H647-C649 PolarHBondContact O-N 2.99Å; C649-V656 WeakPolarHBondContact O-CG1 3.45Å; C649-F657 PolarHBondContact N-O 2.94Å; C649-C658 WeakPolarHBondContact CA-SG 3.42Å; C649-C658 HydrophobicContact CB-CB 3.87Å; C649-C658 WeakPolarHBondContact CB-SG 3.42Å; C649-C658 WeakPolarHBondContact SG-CB 3.43Å; C649-C658 CovalentContact SG-SG 2.03Å; C649-C658 PolarHBondContact SG-SG 3.13Å; C649-L665 HydrophobicContact CB-CD1 3.84Å
650	D	84.5	Confident	86.7	Confident	40 Å²	40	44.7 Å²	44.7	21%	0.214	24%	0.237	C	C	.	.	H	α-helix	trans	-78.2	-23.8	-175.9	-170.6	52	0	0	0	113.5	Y646 Y662 Y777	Y646-D650 HydrophobicContact CE2-CB 4.23Å; Y646-D650 WeakPolarHBondContact O-CB 3.45Å; Y646-D650 PolarHBondContact O-N 3.21Å; D650-Y662 HydrophobicContact CB-CE2 4.04Å; D650-Y662 VanDerWaalsContact OD1-CE2 3.28Å; D650-Y662 WeakPolarHBondContact OD1-CE2 3.34Å; D650-Y662 PolarHBondContact OD1-OH 3.3Å; D650-Y777 PolarHBondContact OD2-OH 3.43Å
651	Q	81.5	Confident	86.3	Confident	19 Å²	19	49 Å²	49	9%	0.089	26%	0.257	C	S	.	.	S	Bend	trans	-70.9	128.3	-176.7	-69	-62.5	-52.9	0	0	112.1	T607 H647 V656	T607-Q651 HydrophobicContact CG2-CB 4.44Å; T607-Q651 HydrophobicContact CG2-CG 4.1Å; T607-Q651 WeakPolarHBondContact OG1-CB 3.21Å; T607-Q651 WeakPolarHBondContact OG1-CG 3.47Å; H647-Q651 WeakPolarHBondContact O-CG 3.42Å; Q651-V656 WeakPolarHBondContact O-CG2 3.45Å
652	P	65.7	Low	85.8	Confident	61 Å²	61	48.8 Å²	48.8	40%	0.396	25%	0.254	S	S	.	.			trans	-77.1	131.1	178.1	30.3	-33.5	0	0	0	111	K583	K583-P652 HydrophobicContact CB-CB 4.48Å
653	G	71.5	Confident	85.4	Confident	17 Å²	17	50.5 Å²	50.5	18%	0.175	27%	0.265	C	S	.	.	S	Bend	trans	144.6	-151.6	172.3	0	0	0	0	0	114.3	V656	G653-V656 VanDerWaalsContact O-CG2 3.22Å; G653-V656 WeakPolarHBondContact O-CG2 3.22Å
654	I	71.4	Confident	85.2	Confident	92 Å²	92	53 Å²	53	47%	0.472	28%	0.281	S	S	.	.	S	Bend	trans	-91.6	-10.1	176.9	55.9	163.6	0	0	0	113.2	Y564 Y600 V656	Y564-I654 HydrophobicContact CD1-CG2 4.23Å; Y564-I654 HydrophobicContact CE1-CG2 3.84Å; Y600-I654 HydrophobicContact CD2-CD1 3.44Å; Y600-I654 VanDerWaalsContact CD2-CD1 3.44Å; Y600-I654 HydrophobicContact CD2-CG1 3.76Å; Y600-I654 HydrophobicContact CE2-CD1 3.51Å; Y600-I654 HydrophobicContact CE2-CG1 3.81Å; I654-V656 VanDerWaalsContact C-N 3.32Å
655	V	78.7	Confident	85.1	Confident	24 Å²	24	51.8 Å²	51.8	15%	0.145	27%	0.273	C	S	.	.			trans	-90.7	8	-179.6	-64.7	0	0	0	0	113.3	Y600 Q603 L604 T607	Y600-V655 HydrophobicContact CD2-CG1 4.1Å; Y600-V655 HydrophobicContact CE2-CG1 3.39Å; Q603-V655 HydrophobicContact CB-CG2 3.99Å; L604-V655 HydrophobicContact CD1-CG1 4.44Å; T607-V655 WeakPolarHBondContact OG1-CG2 3.31Å
656	V	82.9	Confident	85	Confident	58 Å²	58	49.8 Å²	49.8	35%	0.352	26%	0.264	S	S	.	.			trans	-67.2	132.9	-178.9	-171.2	0	0	0	0	110.2	C649 Q651 G653 I654	C649-V656 WeakPolarHBondContact O-CG1 3.45Å; Q651-V656 WeakPolarHBondContact O-CG2 3.45Å; G653-V656 VanDerWaalsContact O-CG2 3.22Å; G653-V656 WeakPolarHBondContact O-CG2 3.22Å; I654-V656 VanDerWaalsContact C-N 3.32Å
657	F	86.6	Confident	84.9	Confident	113 Å²	113	51.9 Å²	51.9	50%	0.496	27%	0.274	S	S	.	.			trans	-136.5	109.1	173.2	-178.2	-99.5	0	0	0	111.3	F645 A648 C649 I659	F645-F657 HydrophobicContact CD1-CD1 4.08Å; F645-F657 AromaticContact CD1-CE1 3.96Å; F645-F657 HydrophobicContact CD1-CE1 3.96Å; F645-F657 HydrophobicContact CE1-CD1 4.18Å; F645-F657 AromaticContact CE1-CE1 3.77Å; F645-F657 HydrophobicContact CE1-CE1 3.77Å; A648-F657 CarbonylContact C-O 3.49Å; A648-F657 HydrophobicContact CB-CB 4.45Å; A648-F657 PolarHBondContact O-N 3.19Å; C649-F657 PolarHBondContact N-O 2.94Å; F657-I659 HydrophobicContact CE1-CG1 4.48Å; F657-I659 HydrophobicContact CE1-CG2 3.99Å; F657-I659 HydrophobicContact CZ-CG2 4.06Å
658	C	88.3	Confident	85	Confident	63 Å²	63	52.6 Å²	52.6	43%	0.426	28%	0.278	S	S	.	.			trans	-113.1	117	178.2	-55.2	0	0	0	0	110.2	C649	C649-C658 WeakPolarHBondContact CA-SG 3.42Å; C649-C658 HydrophobicContact CB-CB 3.87Å; C649-C658 WeakPolarHBondContact CB-SG 3.42Å; C649-C658 WeakPolarHBondContact SG-CB 3.43Å; C649-C658 CovalentContact SG-SG 2.03Å; C649-C658 PolarHBondContact SG-SG 3.13Å
659	I	92.1	Very high	85	Confident	88 Å²	88	52.3 Å²	52.3	45%	0.451	28%	0.275	S	S	.	.	S	Bend	trans	-80.9	-20.4	172	18.7	168.5	0	0	0	113	F641 F645 F657	F641-I659 HydrophobicContact CE1-CD1 4.09Å; F641-I659 HydrophobicContact CZ-CD1 3.98Å; F645-I659 HydrophobicContact CB-CD1 3.56Å; F645-I659 HydrophobicContact CB-CG1 3.82Å; F645-I659 HydrophobicContact CD1-CD1 3.46Å; F645-I659 VanDerWaalsContact CD1-CD1 3.46Å; F645-I659 HydrophobicContact CD1-CG1 3.7Å; F645-I659 HydrophobicContact CD2-CD1 3.43Å; F645-I659 VanDerWaalsContact CD2-CD1 3.43Å; F645-I659 HydrophobicContact CD2-CG1 4.47Å; F645-I659 HydrophobicContact CE1-CD1 3.95Å; F645-I659 HydrophobicContact CE1-CG1 4.38Å; F645-I659 HydrophobicContact CE2-CD1 3.95Å; F645-I659 HydrophobicContact CG-CD1 3.18Å; F645-I659 HydrophobicContact CG-CG1 3.75Å; F645-I659 HydrophobicContact CZ-CD1 4.18Å; F657-I659 HydrophobicContact CE1-CG1 4.48Å; F657-I659 HydrophobicContact CE1-CG2 3.99Å; F657-I659 HydrophobicContact CZ-CG2 4.06Å
660	M	88.9	Confident	85.1	Confident	73 Å²	73	53.7 Å²	53.7	36%	0.36	28%	0.281	S	S	.	.	S	Bend	trans	-147.7	171	-178.4	-176.1	168.2	57.6	0	0	108.7	F642 V664 L665	F642-M660 HydrophobicContact CE1-CE 4.03Å; M660-V664 HydrophobicContact CE-CB 3.74Å; M660-V664 HydrophobicContact CE-CG1 3.31Å; M660-V664 HydrophobicContact CG-CB 4.17Å; M660-V664 HydrophobicContact CG-CG1 4.42Å; M660-V664 HydrophobicContact SD-CB 4.01Å; M660-V664 HydrophobicContact SD-CG1 3.61Å; M660-L665 HydrophobicContact CB-CD2 4.3Å; M660-L665 HydrophobicContact CB-CG 4.15Å; M660-L665 HydrophobicContact CE-CD2 3.95Å; M660-L665 HydrophobicContact CE-CG 4.25Å; M660-L665 WeakPolarHBondContact O-CD1 3.45Å
661	E	87.5	Confident	85.4	Confident	136 Å²	136	53.1 Å²	53.1	64%	0.636	28%	0.277	S	S	*	.			trans	-55.4	139.3	175.9	-171	167.4	-153.3	0	0	112.3	D663 V664 L665	E661-D663 VanDerWaalsContact C-N 3.34Å; E661-D663 PolarHBondContact O-N 3.24Å; E661-V664 HydrophobicContact CB-CG2 4.19Å; E661-V664 PolarHBondContact O-N 3.01Å; E661-V664 VanDerWaalsContact O-N 3.12Å; E661-L665 PolarHBondContact O-N 2.88Å; E661-L665 VanDerWaalsContact O-N 3.08Å
662	Y	84.9	Confident	85.9	Confident	84 Å²	84	52.2 Å²	52.2	33%	0.329	27%	0.273	S	S	.	.	H	α-helix	trans	-54.9	-46.9	-174	176	-92.7	0	0	0	112.4	Y646 D650 V664 L665 Q666	Y646-Y662 HydrophobicContact CD2-CE2 4.48Å; Y646-Y662 AromaticContact CE2-CE2 3.82Å; Y646-Y662 HydrophobicContact CE2-CE2 3.82Å; Y646-Y662 AromaticContact CE2-CZ 3.92Å; D650-Y662 HydrophobicContact CB-CE2 4.04Å; D650-Y662 VanDerWaalsContact OD1-CE2 3.28Å; D650-Y662 WeakPolarHBondContact OD1-CE2 3.34Å; D650-Y662 PolarHBondContact OD1-OH 3.3Å; Y662-V664 VanDerWaalsContact C-N 3.25Å; Y662-V664 PolarHBondContact O-N 3.07Å; Y662-L665 PolarHBondContact O-N 3.35Å; Y662-Q666 HydrophobicContact CE1-CB 4.49Å; Y662-Q666 WeakPolarHBondContact O-CB 3.37Å; Y662-Q666 PolarHBondContact O-N 2.94Å; Y662-Q666 PolarHBondContact OH-NE2 3.3Å
663	D	85.8	Confident	87	Confident	78 Å²	78	50 Å²	50	42%	0.417	26%	0.259	S	S	.	.	H	α-helix	trans	-60.8	-34.8	-178.9	-81.5	-55.5	0	0	0	112.9	E661 F667 R711	E661-D663 VanDerWaalsContact C-N 3.34Å; E661-D663 PolarHBondContact O-N 3.24Å; D663-F667 WeakPolarHBondContact O-CB 3.44Å; D663-F667 PolarHBondContact O-N 3.34Å; D663-R711 IonicContact OD1-CZ 3.73Å; D663-R711 IonicContact OD1-NH1 2.88Å; D663-R711 PolarHBondContact OD1-NH1 3.43Å; D663-R711 IonicContact OD1-NH2 3.57Å
664	V	90.8	Very high	87.9	Confident	54 Å²	54	49.8 Å²	49.8	33%	0.327	25%	0.254	S	S	.	.	H	α-helix	trans	-76	-41.6	179.2	-169.2	0	0	0	0	110.6	M660 E661 Y662 F667 C668	M660-V664 HydrophobicContact CE-CB 3.74Å; M660-V664 HydrophobicContact CE-CG1 3.31Å; M660-V664 HydrophobicContact CG-CB 4.17Å; M660-V664 HydrophobicContact CG-CG1 4.42Å; M660-V664 HydrophobicContact SD-CB 4.01Å; M660-V664 HydrophobicContact SD-CG1 3.61Å; E661-V664 HydrophobicContact CB-CG2 4.19Å; E661-V664 PolarHBondContact O-N 3.01Å; E661-V664 VanDerWaalsContact O-N 3.12Å; Y662-V664 VanDerWaalsContact C-N 3.25Å; Y662-V664 PolarHBondContact O-N 3.07Å; V664-F667 PolarHBondContact O-N 3.01Å; V664-C668 PolarHBondContact O-N 2.74Å; V664-C668 PolarHBondContact O-SG 2.77Å; V664-C668 VanDerWaalsContact O-SG 3.32Å
665	L	91.6	Very high	88.8	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.4	-45	174.6	-74	174.1	0	0	0	111.3	F642 F645 Y646 C649 M660 E661 Y662 C668 D669	F642-L665 HydrophobicContact CD1-CD2 3.99Å; F642-L665 HydrophobicContact CE1-CD2 4.49Å; F645-L665 HydrophobicContact CB-CD2 4.37Å; Y646-L665 HydrophobicContact CD2-CB 4.25Å; C649-L665 HydrophobicContact CB-CD1 3.84Å; M660-L665 HydrophobicContact CB-CD2 4.3Å; M660-L665 HydrophobicContact CB-CG 4.15Å; M660-L665 HydrophobicContact CE-CD2 3.95Å; M660-L665 HydrophobicContact CE-CG 4.25Å; M660-L665 WeakPolarHBondContact O-CD1 3.45Å; E661-L665 PolarHBondContact O-N 2.88Å; E661-L665 VanDerWaalsContact O-N 3.08Å; Y662-L665 PolarHBondContact O-N 3.35Å; L665-C668 PolarHBondContact O-N 3.1Å; L665-D669 PolarHBondContact O-N 3.25Å
666	Q	89.7	Confident	89.5	Confident	14 Å²	14	45.2 Å²	45.2	7%	0.065	23%	0.229	C	C	.	.	H	α-helix	trans	-60.1	-47.3	176.6	-171.4	171.7	57.6	0	0	111.2	Y646 Y662 C668 D669 F670	Y646-Q666 VanDerWaalsContact CD2-CA 3.46Å; Y646-Q666 HydrophobicContact CD2-CB 3.87Å; Y646-Q666 HydrophobicContact CD2-CG 4.4Å; Y646-Q666 HydrophobicContact CE2-CB 3.46Å; Y646-Q666 VanDerWaalsContact CE2-CB 3.46Å; Y646-Q666 HydrophobicContact CE2-CG 3.6Å; Y646-Q666 PolarHBondContact OH-NE2 2.04Å; Y662-Q666 HydrophobicContact CE1-CB 4.49Å; Y662-Q666 WeakPolarHBondContact O-CB 3.37Å; Y662-Q666 PolarHBondContact O-N 2.94Å; Y662-Q666 PolarHBondContact OH-NE2 3.3Å; Q666-C668 VanDerWaalsContact C-N 3.33Å; Q666-C668 PolarHBondContact O-N 3.18Å; Q666-D669 PolarHBondContact O-N 2.87Å; Q666-F670 HydrophobicContact CG-CD2 3.8Å; Q666-F670 HydrophobicContact CG-CE2 3.62Å; Q666-F670 VanDerWaalsContact O-CD2 3.28Å; Q666-F670 WeakPolarHBondContact O-CD2 3.45Å; Q666-F670 PolarHBondContact O-N 3.27Å; Q666-F670 VanDerWaalsContact O-N 3.16Å
667	F	90.9	Very high	89.8	Confident	54 Å²	54	44.4 Å²	44.4	24%	0.237	22%	0.224	C	C	.	.	H	α-helix	trans	-57.6	-45.2	176.3	173.1	-98	0	0	0	112.3	D663 V664 L671 L707 Q708	D663-F667 WeakPolarHBondContact O-CB 3.44Å; D663-F667 PolarHBondContact O-N 3.34Å; V664-F667 PolarHBondContact O-N 3.01Å; F667-L671 HydrophobicContact CE1-CD2 3.81Å; F667-L671 HydrophobicContact CZ-CD2 3.9Å; F667-L671 VanDerWaalsContact O-CB 3.23Å; F667-L671 WeakPolarHBondContact O-CB 3.42Å; F667-L671 PolarHBondContact O-N 3.25Å; F667-L707 HydrophobicContact CD2-CB 4.29Å; F667-L707 HydrophobicContact CE2-CB 3.98Å; F667-Q708 HydrophobicContact CE2-CG 4.22Å
668	C	92.4	Very high	90.1	Very high	15 Å²	15	39.9 Å²	39.9	10%	0.101	20%	0.204	C	C	.	.	H	α-helix	trans	-65.4	-36.7	179.3	-72.4	0	0	0	0	113.1	F638 F642 V664 L665 Q666 G672	F638-C668 HydrophobicContact CE1-CB 4.33Å; F638-C668 HydrophobicContact CZ-CB 4.02Å; F642-C668 HydrophobicContact CB-CB 3.71Å; F642-C668 HydrophobicContact CD1-CB 3.81Å; F642-C668 HydrophobicContact CD2-CB 4.28Å; F642-C668 HydrophobicContact CG-CB 3.66Å; V664-C668 PolarHBondContact O-N 2.74Å; V664-C668 PolarHBondContact O-SG 2.77Å; V664-C668 VanDerWaalsContact O-SG 3.32Å; L665-C668 PolarHBondContact O-N 3.1Å; Q666-C668 VanDerWaalsContact C-N 3.33Å; Q666-C668 PolarHBondContact O-N 3.18Å; C668-G672 PolarHBondContact O-N 3.12Å
669	D	91.9	Very high	90.2	Very high	6 Å²	6	37 Å²	37	3%	0.032	19%	0.185	C	C	.	.	H	α-helix	trans	-63.7	-53.1	176.5	177.6	45.4	0	0	0	111.8	S643 Y646 L665 Q666 L671 G672 S673	S643-D669 VanDerWaalsContact CA-OD1 3.24Å; S643-D669 WeakPolarHBondContact CA-OD1 3.36Å; S643-D669 WeakPolarHBondContact CB-OD1 3.32Å; S643-D669 PolarHBondContact OG-OD1 3.43Å; Y646-D669 HydrophobicContact CD1-CB 3.77Å; Y646-D669 WeakPolarHBondContact CD1-OD2 3.44Å; Y646-D669 WeakPolarHBondContact CE1-OD2 3.35Å; Y646-D669 HydrophobicContact CG-CB 3.91Å; L665-D669 PolarHBondContact O-N 3.25Å; Q666-D669 PolarHBondContact O-N 2.87Å; D669-L671 PolarHBondContact O-N 3.01Å; D669-G672 PolarHBondContact O-N 3.34Å; D669-S673 WeakPolarHBondContact O-CB 3.46Å; D669-S673 PolarHBondContact O-N 3.32Å; D669-S673 PolarHBondContact O-OG 3.11Å; D669-S673 VanDerWaalsContact O-OG 3.13Å
670	F	89.3	Confident	90.2	Very high	39 Å²	39	33 Å²	33	17%	0.171	16%	0.164	C	C	.	.	H	α-helix	trans	-61.7	-44.9	177.8	-78.6	-72.8	0	0	0	112.2	Q666 L674 L707	Q666-F670 HydrophobicContact CG-CD2 3.8Å; Q666-F670 HydrophobicContact CG-CE2 3.62Å; Q666-F670 VanDerWaalsContact O-CD2 3.28Å; Q666-F670 WeakPolarHBondContact O-CD2 3.45Å; Q666-F670 PolarHBondContact O-N 3.27Å; Q666-F670 VanDerWaalsContact O-N 3.16Å; F670-L674 WeakPolarHBondContact O-CB 3.45Å; F670-L674 PolarHBondContact O-N 3.41Å; F670-L674 VanDerWaalsContact O-N 3.08Å; F670-L707 HydrophobicContact CB-CD1 4.23Å; F670-L707 HydrophobicContact CB-CD2 4.15Å
671	L	91.2	Very high	90.3	Very high	27 Å²	27	30 Å²	30	14%	0.141	15%	0.15	C	C	.	.	H	α-helix	trans	-63.4	-45.6	177.7	179.6	63.9	0	0	0	111.4	F667 D669 M675 L703 L707	F667-L671 HydrophobicContact CE1-CD2 3.81Å; F667-L671 HydrophobicContact CZ-CD2 3.9Å; F667-L671 VanDerWaalsContact O-CB 3.23Å; F667-L671 WeakPolarHBondContact O-CB 3.42Å; F667-L671 PolarHBondContact O-N 3.25Å; D669-L671 PolarHBondContact O-N 3.01Å; L671-M675 HydrophobicContact CD1-CG 3.86Å; L671-M675 HydrophobicContact CG-CG 4.21Å; L671-M675 WeakPolarHBondContact O-CB 3.49Å; L671-M675 WeakPolarHBondContact O-CG 3.25Å; L671-M675 PolarHBondContact O-N 3.08Å; L671-L703 HydrophobicContact CD1-CB 3.96Å; L671-L707 VanDerWaalsContact CA-CD1 3.48Å; L671-L707 HydrophobicContact CB-CD1 3.7Å; L671-L707 HydrophobicContact CD1-CD1 4.02Å; L671-L707 HydrophobicContact CG-CD1 4.47Å
672	G	92.1	Very high	90.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60.1	-49.7	179.2	0	0	0	0	0	111.8	T639 C668 D669 L674 M675 S676	T639-G672 VanDerWaalsContact OG1-CA 3.31Å; T639-G672 WeakPolarHBondContact OG1-CA 3.49Å; T639-G672 PolarHBondContact OG1-O 3.26Å; C668-G672 PolarHBondContact O-N 3.12Å; D669-G672 PolarHBondContact O-N 3.34Å; G672-L674 PolarHBondContact O-N 2.93Å; G672-M675 PolarHBondContact O-N 2.75Å; G672-S676 WeakPolarHBondContact O-CB 3.38Å; G672-S676 PolarHBondContact O-N 2.93Å; G672-S676 PolarHBondContact O-OG 3.37Å
673	S	89	Confident	90.6	Very high	16 Å²	16	19.7 Å²	19.7	11%	0.112	11%	0.105	C	C	.	.	H	α-helix	trans	-60.1	-46.6	179.7	-68.1	0	0	0	0	112.1	D669 S676 V677	D669-S673 WeakPolarHBondContact O-CB 3.46Å; D669-S673 PolarHBondContact O-N 3.32Å; D669-S673 PolarHBondContact O-OG 3.11Å; D669-S673 VanDerWaalsContact O-OG 3.13Å; S673-S676 WeakPolarHBondContact O-CB 3.05Å; S673-S676 PolarHBondContact O-N 2.78Å; S673-V677 PolarHBondContact O-N 3.27Å
674	L	89.1	Confident	90.6	Very high	11 Å²	11	16.4 Å²	16.4	6%	0.058	9%	0.087	C	C	.	.	H	α-helix	trans	-65.8	-42.9	176.1	-82.1	173.7	0	0	0	112.9	F670 G672 S676 V677 W678 L703 L707 L717	F670-L674 WeakPolarHBondContact O-CB 3.45Å; F670-L674 PolarHBondContact O-N 3.41Å; F670-L674 VanDerWaalsContact O-N 3.08Å; G672-L674 PolarHBondContact O-N 2.93Å; L674-S676 VanDerWaalsContact C-N 3.3Å; L674-S676 PolarHBondContact O-N 3.09Å; L674-V677 PolarHBondContact O-N 3.39Å; L674-W678 WeakPolarHBondContact O-CB 3.32Å; L674-W678 PolarHBondContact O-N 3.33Å; L674-L703 HydrophobicContact CB-CD2 4.16Å; L674-L703 HydrophobicContact CD1-CD2 4.09Å; L674-L707 HydrophobicContact CD1-CD1 4.33Å; L674-L707 HydrophobicContact CD1-CD2 3.98Å; L674-L707 HydrophobicContact CD1-CG 4.41Å; L674-L717 HydrophobicContact CD1-CD1 4.39Å; L674-L717 HydrophobicContact CD2-CD1 3.7Å; L674-L717 HydrophobicContact CD2-CG 4.45Å; L674-L717 HydrophobicContact CG-CD1 4.13Å
675	M	92.1	Very high	90.4	Very high	19 Å²	19	13.8 Å²	13.8	9%	0.094	7%	0.072	C	C	.	.	H	α-helix	trans	-62.9	-38.1	176.4	-78	-61	-61.3	0	0	111.6	V635 L671 G672 V677 W678 V679 A700 L703	V635-M675 HydrophobicContact CG1-CB 3.77Å; L671-M675 HydrophobicContact CD1-CG 3.86Å; L671-M675 HydrophobicContact CG-CG 4.21Å; L671-M675 WeakPolarHBondContact O-CB 3.49Å; L671-M675 WeakPolarHBondContact O-CG 3.25Å; L671-M675 PolarHBondContact O-N 3.08Å; G672-M675 PolarHBondContact O-N 2.75Å; M675-V677 PolarHBondContact O-N 3.24Å; M675-W678 PolarHBondContact O-N 3.4Å; M675-V679 HydrophobicContact CE-CG1 4.04Å; M675-V679 WeakPolarHBondContact O-CG1 3.39Å; M675-V679 VanDerWaalsContact O-CG2 3.31Å; M675-V679 WeakPolarHBondContact O-CG2 3.48Å; M675-V679 PolarHBondContact O-N 3.46Å; M675-A700 HydrophobicContact CE-CB 3.72Å; M675-A700 VanDerWaalsContact SD-CA 3.58Å; M675-A700 HydrophobicContact SD-CB 4.06Å; M675-L703 HydrophobicContact CG-CD1 4.2Å; M675-L703 HydrophobicContact SD-CB 4.41Å; M675-L703 HydrophobicContact SD-CD1 3.36Å; M675-L703 WeakPolarHBondContact SD-CD1 3.13Å; M675-L703 HydrophobicContact SD-CG 4.48Å
676	S	91.9	Very high	89.9	Confident	1 Å²	1	17.2 Å²	17.2	1%	0.007	9%	0.085	C	C	.	.	H	α-helix	trans	-59.5	-45.8	176.2	-72.6	0	0	0	0	111.7	T639 G672 S673 L674 T680	T639-S676 PolarHBondContact OG1-OG 2.88Å; G672-S676 WeakPolarHBondContact O-CB 3.38Å; G672-S676 PolarHBondContact O-N 2.93Å; G672-S676 PolarHBondContact O-OG 3.37Å; S673-S676 WeakPolarHBondContact O-CB 3.05Å; S673-S676 PolarHBondContact O-N 2.78Å; L674-S676 VanDerWaalsContact C-N 3.3Å; L674-S676 PolarHBondContact O-N 3.09Å; S676-T680 WeakPolarHBondContact O-CB 3.33Å; S676-T680 PolarHBondContact O-N 3.11Å; S676-T680 PolarHBondContact O-OG1 2.63Å
677	V	89.7	Confident	89.6	Confident	42 Å²	42	18.6 Å²	18.6	26%	0.255	9%	0.092	S	C	.	.	H	α-helix	trans	-63.7	-48.6	174.4	176.6	0	0	0	0	110.7	S673 L674 M675 V679 T680 V681	S673-V677 PolarHBondContact O-N 3.27Å; L674-V677 PolarHBondContact O-N 3.39Å; M675-V677 PolarHBondContact O-N 3.24Å; V677-V679 PolarHBondContact O-N 3.03Å; V677-T680 PolarHBondContact O-N 2.76Å; V677-V681 HydrophobicContact CG1-CG2 4.45Å; V677-V681 WeakPolarHBondContact O-CG2 3.4Å; V677-V681 PolarHBondContact O-N 3.28Å
678	W	92.1	Very high	89.3	Confident	18 Å²	18	21.2 Å²	21.2	7%	0.068	10%	0.103	C	C	.	.	H	α-helix	trans	-56.6	-52.5	-179.5	179.4	-91.4	0	0	0	112.6	L674 M675 T680 V681 I682 L695 L703 P720 F723 A724	L674-W678 WeakPolarHBondContact O-CB 3.32Å; L674-W678 PolarHBondContact O-N 3.33Å; M675-W678 PolarHBondContact O-N 3.4Å; W678-T680 VanDerWaalsContact C-N 3.28Å; W678-T680 PolarHBondContact O-N 2.98Å; W678-V681 PolarHBondContact O-N 2.86Å; W678-I682 WeakPolarHBondContact O-CG1 3.37Å; W678-I682 PolarHBondContact O-N 2.92Å; W678-I682 VanDerWaalsContact O-N 3.09Å; W678-L695 PolarHBondContact NE1-O 2.85Å; W678-L695 VanDerWaalsContact NE1-O 3.12Å; W678-L703 HydrophobicContact CB-CD1 4.24Å; W678-L703 HydrophobicContact CD2-CD1 4.47Å; W678-L703 HydrophobicContact CG-CD1 4.33Å; W678-P720 HydrophobicContact CE3-CB 4.05Å; W678-P720 HydrophobicContact CZ3-CB 4.04Å; W678-P720 WeakPolarHBondContact CZ3-O 3.33Å; W678-F723 AromaticContact CH2-CD1 3.51Å; W678-F723 HydrophobicContact CH2-CD1 3.51Å; W678-F723 AromaticContact CH2-CE1 3.92Å; W678-F723 HydrophobicContact CH2-CE1 3.92Å; W678-F723 AromaticContact CZ3-CD1 3.86Å; W678-F723 HydrophobicContact CZ3-CD1 3.86Å; W678-A724 HydrophobicContact CD2-CB 4.32Å; W678-A724 HydrophobicContact CE3-CB 3.77Å; W678-A724 HydrophobicContact CZ3-CB 4.05Å
679	V	92.3	Very high	88.9	Confident	3 Å²	3	24.1 Å²	24.1	2%	0.018	12%	0.124	C	C	.	.	H	α-helix	trans	-66.2	-32.8	-177	-60.4	0	0	0	0	112.2	E632 V635 Y636 M675 V677 A683 Y696	E632-V679 HydrophobicContact CB-CG2 4.38Å; E632-V679 HydrophobicContact CG-CB 4.28Å; E632-V679 HydrophobicContact CG-CG2 4.18Å; V635-V679 HydrophobicContact CB-CG2 4.25Å; V635-V679 HydrophobicContact CG1-CG2 4.19Å; V635-V679 HydrophobicContact CG2-CG1 4.28Å; Y636-V679 HydrophobicContact CE1-CG2 4.09Å; M675-V679 HydrophobicContact CE-CG1 4.04Å; M675-V679 WeakPolarHBondContact O-CG1 3.39Å; M675-V679 VanDerWaalsContact O-CG2 3.31Å; M675-V679 WeakPolarHBondContact O-CG2 3.48Å; M675-V679 PolarHBondContact O-N 3.46Å; V677-V679 PolarHBondContact O-N 3.03Å; V679-A683 VanDerWaalsContact O-CB 3.26Å; V679-A683 WeakPolarHBondContact O-CB 3.33Å; V679-A683 PolarHBondContact O-N 3.21Å; V679-Y696 HydrophobicContact CB-CD1 4.37Å; V679-Y696 HydrophobicContact CB-CE1 3.77Å; V679-Y696 HydrophobicContact CG1-CD1 3.92Å; V679-Y696 HydrophobicContact CG1-CE1 3.83Å; V679-Y696 HydrophobicContact CG1-CG 4.41Å; V679-Y696 PolarHBondContact O-OH 3.36Å
680	T	91.4	Very high	88.7	Confident	3 Å²	3	29.5 Å²	29.5	2%	0.018	15%	0.151	C	C	.	.	H	α-helix	trans	-64.4	-49.8	175.7	-55.3	0	0	0	0	111.2	Y636 S676 V677 W678 I682 A683 M684 V792 L795	Y636-T680 PolarHBondContact OH-OG1 3.33Å; S676-T680 WeakPolarHBondContact O-CB 3.33Å; S676-T680 PolarHBondContact O-N 3.11Å; S676-T680 PolarHBondContact O-OG1 2.63Å; V677-T680 PolarHBondContact O-N 2.76Å; W678-T680 VanDerWaalsContact C-N 3.28Å; W678-T680 PolarHBondContact O-N 2.98Å; T680-I682 PolarHBondContact O-N 3.12Å; T680-A683 WeakPolarHBondContact O-CB 3.37Å; T680-A683 PolarHBondContact O-N 2.79Å; T680-M684 WeakPolarHBondContact O-CG 3.41Å; T680-M684 PolarHBondContact O-N 2.85Å; T680-V792 HydrophobicContact CG2-CG1 4.16Å; T680-V792 HydrophobicContact CG2-CG2 4.48Å; T680-L795 HydrophobicContact CG2-CB 4.12Å
681	V	90.1	Very high	88.7	Confident	11 Å²	11	31.6 Å²	31.6	7%	0.067	16%	0.164	C	C	.	.	H	α-helix	trans	-64.7	-42.6	-178.7	178	0	0	0	0	111.5	V677 W678 A683 M684 A685 A724 L725 M728	V677-V681 HydrophobicContact CG1-CG2 4.45Å; V677-V681 WeakPolarHBondContact O-CG2 3.4Å; V677-V681 PolarHBondContact O-N 3.28Å; W678-V681 PolarHBondContact O-N 2.86Å; V681-A683 VanDerWaalsContact C-N 3.34Å; V681-A683 PolarHBondContact O-N 2.94Å; V681-M684 HydrophobicContact CB-CE 4.29Å; V681-M684 HydrophobicContact CG2-CE 3.99Å; V681-M684 WeakPolarHBondContact O-CB 3.46Å; V681-M684 PolarHBondContact O-N 2.95Å; V681-A685 PolarHBondContact O-N 3.1Å; V681-A685 VanDerWaalsContact O-N 3.13Å; V681-A724 HydrophobicContact CB-CB 4.03Å; V681-A724 VanDerWaalsContact CG1-C 3.49Å; V681-A724 HydrophobicContact CG1-CB 3.83Å; V681-A724 WeakPolarHBondContact CG1-O 3.49Å; V681-L725 HydrophobicContact CG1-CD2 4Å; V681-L725 HydrophobicContact CG1-CG 4.42Å; V681-L725 HydrophobicContact CG2-CD2 4.28Å; V681-M728 HydrophobicContact CG1-CB 4.07Å; V681-M728 HydrophobicContact CG1-CE 4.41Å; V681-M728 HydrophobicContact CG1-SD 4.14Å
682	I	91	Very high	88.6	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-66.8	-35.2	176.2	-64.4	-58	0	0	0	111.6	W678 T680 M684 A685 K692 L695 Y696 A724 I727	W678-I682 WeakPolarHBondContact O-CG1 3.37Å; W678-I682 PolarHBondContact O-N 2.92Å; W678-I682 VanDerWaalsContact O-N 3.09Å; T680-I682 PolarHBondContact O-N 3.12Å; I682-M684 VanDerWaalsContact C-N 3.31Å; I682-M684 PolarHBondContact O-N 2.77Å; I682-A685 WeakPolarHBondContact O-CB 3.44Å; I682-A685 PolarHBondContact O-N 2.78Å; I682-K692 HydrophobicContact CG2-CG 4.14Å; I682-L695 HydrophobicContact CD1-CD1 4.22Å; I682-L695 HydrophobicContact CG2-CB 4.42Å; I682-L695 HydrophobicContact CG2-CD1 4.46Å; I682-Y696 HydrophobicContact CB-CD1 4.42Å; I682-Y696 HydrophobicContact CB-CE1 3.76Å; I682-Y696 HydrophobicContact CG2-CD1 4.05Å; I682-Y696 HydrophobicContact CG2-CE1 3.53Å; I682-A724 HydrophobicContact CD1-CB 4.36Å; I682-I727 HydrophobicContact CD1-CB 4.25Å; I682-I727 HydrophobicContact CD1-CD1 4.03Å; I682-I727 HydrophobicContact CD1-CG2 4.02Å
683	A	88.4	Confident	88.5	Confident	3 Å²	3	37 Å²	37	3%	0.025	19%	0.188	C	C	.	.	H	α-helix	trans	-62.4	-38.6	172.5	0	0	0	0	0	111.7	E632 V679 T680 V681 A685 R686	E632-A683 HydrophobicContact CG-CB 4.39Å; E632-A683 WeakPolarHBondContact OE1-CB 3.44Å; V679-A683 VanDerWaalsContact O-CB 3.26Å; V679-A683 WeakPolarHBondContact O-CB 3.33Å; V679-A683 PolarHBondContact O-N 3.21Å; T680-A683 WeakPolarHBondContact O-CB 3.37Å; T680-A683 PolarHBondContact O-N 2.79Å; V681-A683 VanDerWaalsContact C-N 3.34Å; V681-A683 PolarHBondContact O-N 2.94Å; A683-A685 VanDerWaalsContact C-N 3.3Å; A683-A685 PolarHBondContact O-N 2.83Å; A683-R686 PolarHBondContact O-N 2.92Å
684	M	86.7	Confident	88.7	Confident	8 Å²	8	40.3 Å²	40.3	4%	0.039	21%	0.207	C	C	.	.	H	α-helix	trans	-64.9	-30.9	174.6	-70	-166.4	-74.4	0	0	113.4	T680 V681 I682 R686 M728 W732 L754 L795	T680-M684 WeakPolarHBondContact O-CG 3.41Å; T680-M684 PolarHBondContact O-N 2.85Å; V681-M684 HydrophobicContact CB-CE 4.29Å; V681-M684 HydrophobicContact CG2-CE 3.99Å; V681-M684 WeakPolarHBondContact O-CB 3.46Å; V681-M684 PolarHBondContact O-N 2.95Å; I682-M684 VanDerWaalsContact C-N 3.31Å; I682-M684 PolarHBondContact O-N 2.77Å; M684-R686 PolarHBondContact O-N 3.31Å; M684-M728 HydrophobicContact CB-SD 3.71Å; M684-M728 HydrophobicContact CE-SD 3.88Å; M684-M728 HydrophobicContact SD-SD 4.32Å; M684-W732 PolarHBondContact O-NE1 2.95Å; M684-L754 HydrophobicContact SD-CD2 4.29Å; M684-L795 HydrophobicContact CE-CB 4.26Å; M684-L795 HydrophobicContact CE-CD1 4.32Å; M684-L795 HydrophobicContact CE-CD2 4.42Å; M684-L795 WeakPolarHBondContact CG-O 3.33Å; M684-L795 HydrophobicContact SD-CB 3.73Å; M684-L795 HydrophobicContact SD-CD2 3.9Å; M684-L795 HydrophobicContact SD-CG 4.28Å
685	A	85	Confident	88.9	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.9	-17.9	175.8	0	0	0	0	0	113.1	V681 I682 A683 L687 M728 A731 R735	V681-A685 PolarHBondContact O-N 3.1Å; V681-A685 VanDerWaalsContact O-N 3.13Å; I682-A685 WeakPolarHBondContact O-CB 3.44Å; I682-A685 PolarHBondContact O-N 2.78Å; A683-A685 VanDerWaalsContact C-N 3.3Å; A683-A685 PolarHBondContact O-N 2.83Å; A685-L687 VanDerWaalsContact C-N 3.34Å; A685-L687 HydrophobicContact CB-CD1 4.24Å; A685-L687 HydrophobicContact CB-CD2 4.46Å; A685-L687 HydrophobicContact CB-CG 3.95Å; A685-L687 PolarHBondContact O-N 2.91Å; A685-M728 HydrophobicContact CB-CB 4.2Å; A685-M728 HydrophobicContact CB-CG 4.34Å; A685-A731 HydrophobicContact CB-CB 4.25Å; A685-R735 PolarHBondContact O-NH1 3.12Å
686	R	81.6	Confident	88.9	Confident	72 Å²	72	41 Å²	41	27%	0.272	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.6	52.9	-178.7	-68.3	-155	179.6	170	-10.8	112.5	A683 M684 R735 Y743 P798	A683-R686 PolarHBondContact O-N 2.92Å; M684-R686 PolarHBondContact O-N 3.31Å; R686-R735 VanDerWaalsContact O-CZ 3.26Å; R686-R735 PolarHBondContact O-NH1 3.46Å; R686-R735 PolarHBondContact O-NH2 3.41Å; R686-Y743 WeakPolarHBondContact CD-OH 3.31Å; R686-P798 PolarHBondContact NH2-O 2.81Å
687	L	83.1	Confident	88.9	Confident	42 Å²	42	46.1 Å²	46.1	22%	0.22	24%	0.237	C	C	.	.			trans	-74.6	170.9	179.3	-62.3	170.6	0	0	0	111.7	A685 I691 L695 I727 A731	A685-L687 VanDerWaalsContact C-N 3.34Å; A685-L687 HydrophobicContact CB-CD1 4.24Å; A685-L687 HydrophobicContact CB-CD2 4.46Å; A685-L687 HydrophobicContact CB-CG 3.95Å; A685-L687 PolarHBondContact O-N 2.91Å; L687-I691 HydrophobicContact CB-CG2 4.38Å; L687-I691 HydrophobicContact CD1-CG2 4.07Å; L687-L695 HydrophobicContact CD1-CD1 3.46Å; L687-L695 VanDerWaalsContact CD1-CD1 3.46Å; L687-I727 HydrophobicContact CD1-CG2 3.98Å; L687-A731 HydrophobicContact CD2-CB 3.87Å
688	K	84.9	Confident	89.1	Confident	109 Å²	109	49 Å²	49	47%	0.474	25%	0.25	S	C	.	.			trans	-57.9	146.4	169.6	-61.6	-176.1	174.8	-140.3	0	109.4	I690 I691 K692 E826	K688-I690 VanDerWaalsContact C-N 3.27Å; K688-I690 PolarHBondContact O-N 2.85Å; K688-I691 HydrophobicContact CB-CD1 4.25Å; K688-I691 HydrophobicContact CD-CD1 4.35Å; K688-I691 HydrophobicContact CG-CD1 4.48Å; K688-I691 PolarHBondContact O-N 3.01Å; K688-I691 VanDerWaalsContact O-N 3.16Å; K688-K692 WeakPolarHBondContact O-CB 2.79Å; K688-K692 PolarHBondContact O-N 2.79Å; K688-E826 WeakPolarHBondContact CD-OE1 3.34Å; K688-E826 WeakPolarHBondContact CE-OE1 3.45Å; K688-E826 VanDerWaalsContact CG-OE1 3.3Å; K688-E826 WeakPolarHBondContact CG-OE1 3.26Å; K688-E826 VanDerWaalsContact NZ-CD 3.31Å; K688-E826 IonicContact NZ-OE1 2.69Å; K688-E826 PolarHBondContact NZ-OE1 2.8Å
689	S	83.5	Confident	89	Confident	76 Å²	76	48.2 Å²	48.2	53%	0.531	25%	0.247	S	C	.	.	H	α-helix	trans	-54.8	-42.9	-173.5	-169.5	0	0	0	0	112.6	K692 Q693	S689-K692 WeakPolarHBondContact O-CB 3.45Å; S689-K692 PolarHBondContact O-N 2.77Å; S689-Q693 WeakPolarHBondContact O-CG 3.25Å; S689-Q693 PolarHBondContact O-N 3.47Å
690	I	88.4	Confident	89	Confident	119 Å²	119	49.7 Å²	49.7	61%	0.61	26%	0.26	S	S	*	.	H	α-helix	trans	-62.3	-51	179.7	-58.8	171.1	0	0	0	111	K688 K692 Q693 V694	K688-I690 VanDerWaalsContact C-N 3.27Å; K688-I690 PolarHBondContact O-N 2.85Å; I690-K692 VanDerWaalsContact C-N 3.3Å; I690-K692 PolarHBondContact O-N 2.76Å; I690-Q693 PolarHBondContact O-N 2.82Å; I690-V694 WeakPolarHBondContact O-CG2 3.47Å; I690-V694 PolarHBondContact O-N 3.11Å
691	I	88.4	Confident	89.1	Confident	84 Å²	84	55.5 Å²	55.5	43%	0.431	29%	0.289	S	S	.	.	H	α-helix	trans	-62.3	-40.8	-179.9	-64.3	167.4	0	0	0	110.6	L687 K688 Q693 V694 L695	L687-I691 HydrophobicContact CB-CG2 4.38Å; L687-I691 HydrophobicContact CD1-CG2 4.07Å; K688-I691 HydrophobicContact CB-CD1 4.25Å; K688-I691 HydrophobicContact CD-CD1 4.35Å; K688-I691 HydrophobicContact CG-CD1 4.48Å; K688-I691 PolarHBondContact O-N 3.01Å; K688-I691 VanDerWaalsContact O-N 3.16Å; I691-Q693 PolarHBondContact O-N 2.86Å; I691-V694 PolarHBondContact O-N 2.67Å; I691-L695 HydrophobicContact CG2-CD1 3.9Å; I691-L695 HydrophobicContact CG2-CG 4.36Å; I691-L695 WeakPolarHBondContact O-CB 3.32Å; I691-L695 VanDerWaalsContact O-CG 3.32Å; I691-L695 WeakPolarHBondContact O-CG 3.48Å; I691-L695 PolarHBondContact O-N 2.87Å
692	K	89.3	Confident	89.1	Confident	35 Å²	35	58.1 Å²	58.1	15%	0.152	31%	0.308	C	S	.	.	H	α-helix	trans	-58.8	-47.5	176.9	-176.1	-173.7	176.1	-170.6	0	111.5	E632 I682 K688 S689 I690 L695 Y696	E632-K692 WeakPolarHBondContact OE1-CE 3.48Å; E632-K692 IonicContact OE1-NZ 2.65Å; E632-K692 PolarHBondContact OE1-NZ 3.35Å; E632-K692 IonicContact OE2-NZ 3.89Å; I682-K692 HydrophobicContact CG2-CG 4.14Å; K688-K692 WeakPolarHBondContact O-CB 2.79Å; K688-K692 PolarHBondContact O-N 2.79Å; S689-K692 WeakPolarHBondContact O-CB 3.45Å; S689-K692 PolarHBondContact O-N 2.77Å; I690-K692 VanDerWaalsContact C-N 3.3Å; I690-K692 PolarHBondContact O-N 2.76Å; K692-L695 PolarHBondContact O-N 3.09Å; K692-Y696 HydrophobicContact CD-CE2 4.26Å; K692-Y696 VanDerWaalsContact CE-CE2 3.43Å; K692-Y696 WeakPolarHBondContact CE-OH 3.24Å; K692-Y696 HydrophobicContact CG-CD2 4.46Å; K692-Y696 HydrophobicContact CG-CE1 4.35Å; K692-Y696 HydrophobicContact CG-CE2 3.97Å; K692-Y696 PolarHBondContact O-N 3.34Å
693	Q	90.9	Very high	89.1	Confident	106 Å²	106	58.4 Å²	58.4	50%	0.495	31%	0.309	S	S	.	.	H	α-helix	trans	-65.2	-41.4	179.2	-71.6	174.9	-2.8	0	0	112.3	S689 I690 I691 L695 Y696 L697	S689-Q693 WeakPolarHBondContact O-CG 3.25Å; S689-Q693 PolarHBondContact O-N 3.47Å; I690-Q693 PolarHBondContact O-N 2.82Å; I691-Q693 PolarHBondContact O-N 2.86Å; Q693-L695 PolarHBondContact O-N 2.92Å; Q693-Y696 PolarHBondContact O-N 3.25Å; Q693-L697 PolarHBondContact O-N 2.98Å
694	V	92.8	Very high	89.2	Confident	85 Å²	85	59.9 Å²	59.9	52%	0.515	32%	0.319	S	S	.	.	H	α-helix	trans	-60.8	-45.3	175.5	172.2	0	0	0	0	111	I690 I691 Y696 L697 L698	I690-V694 WeakPolarHBondContact O-CG2 3.47Å; I690-V694 PolarHBondContact O-N 3.11Å; I691-V694 PolarHBondContact O-N 2.67Å; V694-Y696 VanDerWaalsContact C-N 3.3Å; V694-Y696 PolarHBondContact O-N 2.91Å; V694-L697 PolarHBondContact O-N 2.57Å; V694-L698 VanDerWaalsContact O-CB 3.26Å; V694-L698 WeakPolarHBondContact O-CB 3.45Å; V694-L698 PolarHBondContact O-N 3.18Å
695	L	92.3	Very high	89.3	Confident	28 Å²	28	65.2 Å²	65.2	15%	0.147	35%	0.345	C	S	.	.	H	α-helix	trans	-65.9	-30.7	177.9	-71.4	172.2	0	0	0	113.1	W678 I682 L687 I691 K692 Q693 G699 I727	W678-L695 PolarHBondContact NE1-O 2.85Å; W678-L695 VanDerWaalsContact NE1-O 3.12Å; I682-L695 HydrophobicContact CD1-CD1 4.22Å; I682-L695 HydrophobicContact CG2-CB 4.42Å; I682-L695 HydrophobicContact CG2-CD1 4.46Å; L687-L695 HydrophobicContact CD1-CD1 3.46Å; L687-L695 VanDerWaalsContact CD1-CD1 3.46Å; I691-L695 HydrophobicContact CG2-CD1 3.9Å; I691-L695 HydrophobicContact CG2-CG 4.36Å; I691-L695 WeakPolarHBondContact O-CB 3.32Å; I691-L695 VanDerWaalsContact O-CG 3.32Å; I691-L695 WeakPolarHBondContact O-CG 3.48Å; I691-L695 PolarHBondContact O-N 2.87Å; K692-L695 PolarHBondContact O-N 3.09Å; Q693-L695 PolarHBondContact O-N 2.92Å; L695-G699 PolarHBondContact O-N 3Å; L695-I727 HydrophobicContact CD1-CD1 4.4Å; L695-I727 HydrophobicContact CD1-CG2 4.35Å; L695-I727 HydrophobicContact CD2-CD1 4.09Å
696	Y	93.1	Very high	89.3	Confident	17 Å²	17	66.2 Å²	66.2	7%	0.067	35%	0.354	C	S	.	.	H	α-helix	trans	-67.1	-48.8	172.6	-72	-12.1	0	0	0	112	L631 E632 V679 I682 K692 Q693 V694 G699 A700	L631-Y696 HydrophobicContact CB-CE2 4.27Å; L631-Y696 HydrophobicContact CD1-CD2 4.36Å; L631-Y696 HydrophobicContact CD1-CE2 4.47Å; E632-Y696 PolarHBondContact OE1-OH 2.87Å; V679-Y696 HydrophobicContact CB-CD1 4.37Å; V679-Y696 HydrophobicContact CB-CE1 3.77Å; V679-Y696 HydrophobicContact CG1-CD1 3.92Å; V679-Y696 HydrophobicContact CG1-CE1 3.83Å; V679-Y696 HydrophobicContact CG1-CG 4.41Å; V679-Y696 PolarHBondContact O-OH 3.36Å; I682-Y696 HydrophobicContact CB-CD1 4.42Å; I682-Y696 HydrophobicContact CB-CE1 3.76Å; I682-Y696 HydrophobicContact CG2-CD1 4.05Å; I682-Y696 HydrophobicContact CG2-CE1 3.53Å; K692-Y696 HydrophobicContact CD-CE2 4.26Å; K692-Y696 VanDerWaalsContact CE-CE2 3.43Å; K692-Y696 WeakPolarHBondContact CE-OH 3.24Å; K692-Y696 HydrophobicContact CG-CD2 4.46Å; K692-Y696 HydrophobicContact CG-CE1 4.35Å; K692-Y696 HydrophobicContact CG-CE2 3.97Å; K692-Y696 PolarHBondContact O-N 3.34Å; Q693-Y696 PolarHBondContact O-N 3.25Å; V694-Y696 VanDerWaalsContact C-N 3.3Å; V694-Y696 PolarHBondContact O-N 2.91Å; Y696-G699 PolarHBondContact O-N 2.95Å; Y696-A700 WeakPolarHBondContact O-CB 3.48Å; Y696-A700 PolarHBondContact O-N 3.37Å
697	L	93	Very high	89.4	Confident	108 Å²	108	63.1 Å²	63.1	57%	0.565	34%	0.343	S	S	*	.	H	α-helix	trans	-67.2	-45.5	-179.2	-171.1	67.3	0	0	0	111.8	Q693 V694 G699 A700 M701	Q693-L697 PolarHBondContact O-N 2.98Å; V694-L697 PolarHBondContact O-N 2.57Å; L697-G699 VanDerWaalsContact C-N 3.34Å; L697-G699 PolarHBondContact O-N 2.84Å; L697-A700 PolarHBondContact O-N 3.09Å; L697-M701 HydrophobicContact CD1-CE 4.13Å; L697-M701 HydrophobicContact CD2-CE 4.4Å; L697-M701 HydrophobicContact CG-CE 4.11Å; L697-M701 WeakPolarHBondContact O-CG 3.24Å; L697-M701 PolarHBondContact O-N 3.36Å
698	L	92.2	Very high	89.5	Confident	101 Å²	101	67.9 Å²	67.9	53%	0.529	36%	0.364	S	S	.	.	H	α-helix	trans	-63.6	-41.5	177.8	-174.9	68.2	0	0	0	111.4	V694 M701 S702	V694-L698 VanDerWaalsContact O-CB 3.26Å; V694-L698 WeakPolarHBondContact O-CB 3.45Å; V694-L698 PolarHBondContact O-N 3.18Å; L698-M701 PolarHBondContact O-N 3.07Å; L698-S702 VanDerWaalsContact O-CB 3.31Å; L698-S702 WeakPolarHBondContact O-CB 3.41Å; L698-S702 PolarHBondContact O-N 3.19Å; L698-S702 PolarHBondContact O-OG 3.29Å
699	G	91.5	Very high	89.3	Confident	2 Å²	2	69.6 Å²	69.6	2%	0.021	38%	0.377	C	S	.	.	H	α-helix	trans	-59.6	-48.1	174.5	0	0	0	0	0	111.8	L695 Y696 L697 M701 S702 L703	L695-G699 PolarHBondContact O-N 3Å; Y696-G699 PolarHBondContact O-N 2.95Å; L697-G699 VanDerWaalsContact C-N 3.34Å; L697-G699 PolarHBondContact O-N 2.84Å; G699-M701 PolarHBondContact O-N 3.05Å; G699-S702 PolarHBondContact O-N 3.39Å; G699-L703 VanDerWaalsContact O-CB 3.26Å; G699-L703 WeakPolarHBondContact O-CB 3.39Å; G699-L703 WeakPolarHBondContact O-CG 3.43Å; G699-L703 PolarHBondContact O-N 3.14Å
700	A	92.3	Very high	88.8	Confident	35 Å²	35	69.7 Å²	69.7	29%	0.289	37%	0.372	S	S	.	.	H	α-helix	trans	-59.3	-46.4	178.1	0	0	0	0	0	112.9	M675 Y696 L697 S704	M675-A700 HydrophobicContact CE-CB 3.72Å; M675-A700 VanDerWaalsContact SD-CA 3.58Å; M675-A700 HydrophobicContact SD-CB 4.06Å; Y696-A700 WeakPolarHBondContact O-CB 3.48Å; Y696-A700 PolarHBondContact O-N 3.37Å; L697-A700 PolarHBondContact O-N 3.09Å; A700-S704 VanDerWaalsContact O-CB 3.24Å; A700-S704 WeakPolarHBondContact O-CB 3.32Å; A700-S704 PolarHBondContact O-N 2.87Å
701	M	92.4	Very high	87.9	Confident	124 Å²	124	68.3 Å²	68.3	61%	0.611	36%	0.359	S	S	*	.	H	α-helix	trans	-65.2	-41.9	177.9	-69.6	-178.7	176	0	0	112	L697 L698 G699 M705	L697-M701 HydrophobicContact CD1-CE 4.13Å; L697-M701 HydrophobicContact CD2-CE 4.4Å; L697-M701 HydrophobicContact CG-CE 4.11Å; L697-M701 WeakPolarHBondContact O-CG 3.24Å; L697-M701 PolarHBondContact O-N 3.36Å; L698-M701 PolarHBondContact O-N 3.07Å; G699-M701 PolarHBondContact O-N 3.05Å; M701-M705 PolarHBondContact O-N 2.85Å; M701-M705 VanDerWaalsContact O-N 3.14Å
702	S	89.7	Confident	86.7	Confident	67 Å²	67	68 Å²	68	47%	0.469	36%	0.356	S	S	.	.	H	α-helix	trans	-70.9	-42.5	-177.8	-53.4	0	0	0	0	112.2	L698 G699 M705 A706	L698-S702 VanDerWaalsContact O-CB 3.31Å; L698-S702 WeakPolarHBondContact O-CB 3.41Å; L698-S702 PolarHBondContact O-N 3.19Å; L698-S702 PolarHBondContact O-OG 3.29Å; G699-S702 PolarHBondContact O-N 3.39Å; S702-M705 PolarHBondContact O-N 3.09Å; S702-A706 WeakPolarHBondContact O-CB 3.26Å; S702-A706 PolarHBondContact O-N 3.01Å
703	L	90.7	Very high	85.8	Confident	6 Å²	6	66.9 Å²	66.9	3%	0.031	35%	0.354	C	S	.	.	H	α-helix	trans	-65.2	-42.1	177	-79.8	165.7	0	0	0	111.7	L671 L674 M675 W678 G699 M705 A706 L707 P720	L671-L703 HydrophobicContact CD1-CB 3.96Å; L674-L703 HydrophobicContact CB-CD2 4.16Å; L674-L703 HydrophobicContact CD1-CD2 4.09Å; M675-L703 HydrophobicContact CG-CD1 4.2Å; M675-L703 HydrophobicContact SD-CB 4.41Å; M675-L703 HydrophobicContact SD-CD1 3.36Å; M675-L703 WeakPolarHBondContact SD-CD1 3.13Å; M675-L703 HydrophobicContact SD-CG 4.48Å; W678-L703 HydrophobicContact CB-CD1 4.24Å; W678-L703 HydrophobicContact CD2-CD1 4.47Å; W678-L703 HydrophobicContact CG-CD1 4.33Å; G699-L703 VanDerWaalsContact O-CB 3.26Å; G699-L703 WeakPolarHBondContact O-CB 3.39Å; G699-L703 WeakPolarHBondContact O-CG 3.43Å; G699-L703 PolarHBondContact O-N 3.14Å; L703-M705 PolarHBondContact O-N 2.91Å; L703-A706 PolarHBondContact O-N 2.91Å; L703-L707 WeakPolarHBondContact O-CG 3.16Å; L703-L707 PolarHBondContact O-N 3.45Å; L703-P720 HydrophobicContact CD2-CB 3.6Å; L703-P720 HydrophobicContact CD2-CG 3.44Å; L703-P720 VanDerWaalsContact CD2-CG 3.44Å; L703-P720 HydrophobicContact CG-CB 4.37Å; L703-P720 HydrophobicContact CG-CG 4.48Å
704	S	90.9	Very high	84.9	Confident	34 Å²	34	64.5 Å²	64.5	24%	0.238	35%	0.345	C	S	.	.	H	α-helix	trans	-58.7	-46.9	174.8	179	0	0	0	0	111.9	A700 Q708	A700-S704 VanDerWaalsContact O-CB 3.24Å; A700-S704 WeakPolarHBondContact O-CB 3.32Å; A700-S704 PolarHBondContact O-N 2.87Å; S704-Q708 PolarHBondContact O-N 3.06Å
705	M	88.9	Confident	83.9	Confident	119 Å²	119	69.4 Å²	69.4	59%	0.586	35%	0.354	S	S	*	.	H	α-helix	trans	-62.9	-45.1	176.1	-178.6	66.6	82.6	0	0	112.1	M701 S702 L703 L707 Q708 L709	M701-M705 PolarHBondContact O-N 2.85Å; M701-M705 VanDerWaalsContact O-N 3.14Å; S702-M705 PolarHBondContact O-N 3.09Å; L703-M705 PolarHBondContact O-N 2.91Å; M705-L707 VanDerWaalsContact C-N 3.34Å; M705-L707 PolarHBondContact O-N 2.67Å; M705-Q708 PolarHBondContact O-N 2.93Å; M705-L709 PolarHBondContact O-N 2.81Å
706	A	85.2	Confident	83.1	Confident	21 Å²	21	70.2 Å²	70.2	17%	0.174	36%	0.358	C	S	.	.	H	α-helix	trans	-61.3	-41.3	-178.9	0	0	0	0	0	112.5	S702 L703 Q708 L709 D710 N716	S702-A706 WeakPolarHBondContact O-CB 3.26Å; S702-A706 PolarHBondContact O-N 3.01Å; L703-A706 PolarHBondContact O-N 2.91Å; A706-Q708 VanDerWaalsContact C-N 3.3Å; A706-Q708 PolarHBondContact O-N 2.93Å; A706-L709 PolarHBondContact O-N 2.84Å; A706-D710 PolarHBondContact O-N 2.82Å; A706-N716 PolarHBondContact O-ND2 3.41Å
707	L	84.9	Confident	82	Confident	8 Å²	8	72 Å²	72	4%	0.042	37%	0.369	C	S	.	.	H	α-helix	trans	-68.4	-26.6	178.1	-71.3	173.5	0	0	0	113.4	F667 F670 L671 L674 L703 M705 R711	F667-L707 HydrophobicContact CD2-CB 4.29Å; F667-L707 HydrophobicContact CE2-CB 3.98Å; F670-L707 HydrophobicContact CB-CD1 4.23Å; F670-L707 HydrophobicContact CB-CD2 4.15Å; L671-L707 VanDerWaalsContact CA-CD1 3.48Å; L671-L707 HydrophobicContact CB-CD1 3.7Å; L671-L707 HydrophobicContact CD1-CD1 4.02Å; L671-L707 HydrophobicContact CG-CD1 4.47Å; L674-L707 HydrophobicContact CD1-CD1 4.33Å; L674-L707 HydrophobicContact CD1-CD2 3.98Å; L674-L707 HydrophobicContact CD1-CG 4.41Å; L703-L707 WeakPolarHBondContact O-CG 3.16Å; L703-L707 PolarHBondContact O-N 3.45Å; M705-L707 VanDerWaalsContact C-N 3.34Å; M705-L707 PolarHBondContact O-N 2.67Å; L707-R711 PolarHBondContact O-N 2.79Å
708	Q	85	Confident	81.2	Confident	141 Å²	141	70.1 Å²	70.1	66%	0.659	36%	0.359	S	S	*	.	H	α-helix	trans	-74	-30.4	173.3	-72.8	-172.8	31.9	0	0	112.9	F667 S704 M705 A706	F667-Q708 HydrophobicContact CE2-CG 4.22Å; S704-Q708 PolarHBondContact O-N 3.06Å; M705-Q708 PolarHBondContact O-N 2.93Å; A706-Q708 VanDerWaalsContact C-N 3.3Å; A706-Q708 PolarHBondContact O-N 2.93Å
709	L	80.2	Confident	80.8	Confident	145 Å²	145	66.6 Å²	66.6	76%	0.759	35%	0.347	S	S	*	.	H	α-helix	trans	-73.4	-50	177.9	-70.6	171.5	0	0	0	111.7	M705 A706	M705-L709 PolarHBondContact O-N 2.81Å; A706-L709 PolarHBondContact O-N 2.84Å
710	D	72.1	Confident	80.4	Confident	79 Å²	79	67.7 Å²	67.7	42%	0.422	35%	0.354	S	S	.	.			trans	-154.9	102.4	175.4	-178.6	6	0	0	0	110.7	A706 H712 G713 N716	A706-D710 PolarHBondContact O-N 2.82Å; D710-H712 VanDerWaalsContact C-N 3.25Å; D710-H712 PolarHBondContact O-N 3.47Å; D710-H712 PolarHBondContact OD1-N 2.79Å; D710-H712 VanDerWaalsContact OD1-N 3.13Å; D710-G713 PolarHBondContact O-N 2.84Å; D710-G713 PolarHBondContact OD1-N 3.5Å; D710-G713 WeakPolarHBondContact OD2-CA 2.87Å; D710-G713 PolarHBondContact OD2-N 3.25Å; D710-N716 PolarHBondContact O-ND2 3.37Å
711	R	69.3	Low	79.9	Confident	89 Å²	89	67.3 Å²	67.3	34%	0.336	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-22.7	-177.1	71.8	-178.8	68.4	169.9	2.5	113.7	D663 L707	D663-R711 IonicContact OD1-CZ 3.73Å; D663-R711 IonicContact OD1-NH1 2.88Å; D663-R711 PolarHBondContact OD1-NH1 3.43Å; D663-R711 IonicContact OD1-NH2 3.57Å; L707-R711 PolarHBondContact O-N 2.79Å
712	H	64.4	Low	79.7	Confident	78 Å²	78	65.7 Å²	65.7	36%	0.361	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	0.3	-177.2	-61	-65.6	0	0	0	113.2	K201 D710 L714	K201-H712 HydrophobicContact CB-CB 4.3Å; K201-H712 HydrophobicContact CD-CB 3.98Å; D710-H712 VanDerWaalsContact C-N 3.25Å; D710-H712 PolarHBondContact O-N 3.47Å; D710-H712 PolarHBondContact OD1-N 2.79Å; D710-H712 VanDerWaalsContact OD1-N 3.13Å; H712-L714 PolarHBondContact O-N 2.96Å
713	G	69.2	Low	79.6	Confident	12 Å²	12	68.5 Å²	68.5	12%	0.124	35%	0.347	C	S	.	.			trans	-63.7	119.7	-179.2	0	0	0	0	0	111.8	D710 W715 N716 L717	D710-G713 PolarHBondContact O-N 2.84Å; D710-G713 PolarHBondContact OD1-N 3.5Å; D710-G713 WeakPolarHBondContact OD2-CA 2.87Å; D710-G713 PolarHBondContact OD2-N 3.25Å; G713-W715 PolarHBondContact O-N 3.04Å; G713-W715 VanDerWaalsContact O-N 3.16Å; G713-N716 WeakPolarHBondContact O-CA 3.36Å; G713-N716 WeakPolarHBondContact O-CB 3.47Å; G713-N716 PolarHBondContact O-N 2.83Å; G713-L717 PolarHBondContact O-N 3.17Å
714	L	72.1	Confident	79.5	Confident	56 Å²	56	68.2 Å²	68.2	29%	0.293	35%	0.345	S	S	.	.	H	α-helix	trans	-52.2	-39.7	177.1	179.4	67.1	0	0	0	112.5	L203 H712 N716 L717 L718	L203-L714 HydrophobicContact CD1-CD2 3.8Å; L203-L714 HydrophobicContact CG-CD2 4.07Å; H712-L714 PolarHBondContact O-N 2.96Å; L714-N716 VanDerWaalsContact C-N 3.32Å; L714-N716 PolarHBondContact O-N 2.8Å; L714-L717 PolarHBondContact O-N 2.83Å; L714-L718 WeakPolarHBondContact O-CB 3.36Å; L714-L718 PolarHBondContact O-N 2.83Å
715	W	73.1	Confident	79.4	Confident	188 Å²	188	70.3 Å²	70.3	71%	0.712	35%	0.353	S	S	*	.	H	α-helix	trans	-68.6	-28.9	177.8	-74.2	108.6	0	0	0	113.5	G713 L717 G719	G713-W715 PolarHBondContact O-N 3.04Å; G713-W715 VanDerWaalsContact O-N 3.16Å; W715-L717 VanDerWaalsContact C-N 3.3Å; W715-G719 WeakPolarHBondContact O-CA 3.39Å; W715-G719 PolarHBondContact O-N 2.92Å
716	N	74.1	Confident	79.5	Confident	44 Å²	44	66.3 Å²	66.3	24%	0.235	34%	0.343	C	S	.	.	H	α-helix	trans	-73.2	-26.9	175	-65.9	-19.5	0	0	0	111.4	A706 D710 G713 L714 P720	A706-N716 PolarHBondContact O-ND2 3.41Å; D710-N716 PolarHBondContact O-ND2 3.37Å; G713-N716 WeakPolarHBondContact O-CA 3.36Å; G713-N716 WeakPolarHBondContact O-CB 3.47Å; G713-N716 PolarHBondContact O-N 2.83Å; L714-N716 VanDerWaalsContact C-N 3.32Å; L714-N716 PolarHBondContact O-N 2.8Å; N716-P720 VanDerWaalsContact O-CD 3.25Å; N716-P720 WeakPolarHBondContact O-CD 2.96Å; N716-P720 WeakPolarHBondContact O-CG 3.28Å
717	L	70.8	Confident	79.6	Confident	55 Å²	55	66.9 Å²	66.9	29%	0.288	34%	0.342	S	S	.	.	H	α-helix	trans	-80.1	-49.9	172.2	-173	78	0	0	0	112.3	L674 G713 L714 W715 S721 Y768	L674-L717 HydrophobicContact CD1-CD1 4.39Å; L674-L717 HydrophobicContact CD2-CD1 3.7Å; L674-L717 HydrophobicContact CD2-CG 4.45Å; L674-L717 HydrophobicContact CG-CD1 4.13Å; G713-L717 PolarHBondContact O-N 3.17Å; L714-L717 PolarHBondContact O-N 2.83Å; W715-L717 VanDerWaalsContact C-N 3.3Å; L717-S721 PolarHBondContact O-OG 3.02Å; L717-Y768 HydrophobicContact CD2-CD1 4.34Å; L717-Y768 HydrophobicContact CD2-CE1 3.68Å
718	L	76.6	Confident	79.8	Confident	68 Å²	68	67.7 Å²	67.7	36%	0.356	35%	0.346	S	S	.	.	H	α-helix	trans	-80.7	-38.7	-171.5	-173.9	65.2	0	0	0	112.9	L714 S721 L722	L714-L718 WeakPolarHBondContact O-CB 3.36Å; L714-L718 PolarHBondContact O-N 2.83Å; L718-S721 PolarHBondContact O-N 2.99Å; L718-L722 HydrophobicContact CD1-CD1 4.25Å; L718-L722 HydrophobicContact CD1-CD2 4.46Å; L718-L722 HydrophobicContact CD1-CG 4.08Å; L718-L722 HydrophobicContact CD2-CD1 4Å; L718-L722 HydrophobicContact CG-CD1 3.68Å; L718-L722 HydrophobicContact CG-CG 3.96Å; L718-L722 WeakPolarHBondContact O-CG 3.33Å; L718-L722 PolarHBondContact O-N 3.04Å
719	G	83.1	Confident	79.9	Confident	28 Å²	28	63.4 Å²	63.4	29%	0.289	33%	0.334	S	S	.	.	H	α-helix	trans	-56.8	-53.4	-174	0	0	0	0	0	114	W715 S721 L722 F723	W715-G719 WeakPolarHBondContact O-CA 3.39Å; W715-G719 PolarHBondContact O-N 2.92Å; G719-S721 VanDerWaalsContact C-N 3.32Å; G719-S721 PolarHBondContact O-N 2.94Å; G719-L722 PolarHBondContact O-N 2.81Å; G719-F723 WeakPolarHBondContact O-CB 3.41Å; G719-F723 PolarHBondContact O-N 3.14Å
720	P	83.5	Confident	80.3	Confident	25 Å²	25	61 Å²	61	16%	0.162	33%	0.325	C	S	.	.	H	α-helix	trans	-60.5	-40.1	177.9	-24.7	34.9	0	0	0	112.8	W678 L703 N716 F723 A724	W678-P720 HydrophobicContact CE3-CB 4.05Å; W678-P720 HydrophobicContact CZ3-CB 4.04Å; W678-P720 WeakPolarHBondContact CZ3-O 3.33Å; L703-P720 HydrophobicContact CD2-CB 3.6Å; L703-P720 HydrophobicContact CD2-CG 3.44Å; L703-P720 VanDerWaalsContact CD2-CG 3.44Å; L703-P720 HydrophobicContact CG-CB 4.37Å; L703-P720 HydrophobicContact CG-CG 4.48Å; N716-P720 VanDerWaalsContact O-CD 3.25Å; N716-P720 WeakPolarHBondContact O-CD 2.96Å; N716-P720 WeakPolarHBondContact O-CG 3.28Å; P720-F723 PolarHBondContact O-N 2.71Å; P720-A724 WeakPolarHBondContact O-CB 3.03Å; P720-A724 PolarHBondContact O-N 2.82Å
721	S	82.2	Confident	81	Confident	27 Å²	27	57.8 Å²	57.8	19%	0.189	31%	0.31	C	S	.	.	H	α-helix	trans	-63.4	-46	178.1	-60.6	0	0	0	0	111.6	L717 L718 G719 F723 A724 L725	L717-S721 PolarHBondContact O-OG 3.02Å; L718-S721 PolarHBondContact O-N 2.99Å; G719-S721 VanDerWaalsContact C-N 3.32Å; G719-S721 PolarHBondContact O-N 2.94Å; S721-F723 PolarHBondContact O-N 2.85Å; S721-A724 PolarHBondContact O-N 2.82Å; S721-L725 VanDerWaalsContact O-CG 3.3Å; S721-L725 WeakPolarHBondContact O-CG 3.12Å; S721-L725 PolarHBondContact O-N 3.4Å
722	L	86.7	Confident	81.8	Confident	89 Å²	89	55.2 Å²	55.2	47%	0.466	30%	0.301	S	S	.	.	H	α-helix	trans	-63.3	-40.8	175.5	-70.9	177.3	0	0	0	112.1	L718 G719 L725 G726	L718-L722 HydrophobicContact CD1-CD1 4.25Å; L718-L722 HydrophobicContact CD1-CD2 4.46Å; L718-L722 HydrophobicContact CD1-CG 4.08Å; L718-L722 HydrophobicContact CD2-CD1 4Å; L718-L722 HydrophobicContact CG-CD1 3.68Å; L718-L722 HydrophobicContact CG-CG 3.96Å; L718-L722 WeakPolarHBondContact O-CG 3.33Å; L718-L722 PolarHBondContact O-N 3.04Å; G719-L722 PolarHBondContact O-N 2.81Å; L722-L725 PolarHBondContact O-N 2.95Å; L722-G726 PolarHBondContact O-N 2.94Å
723	F	89	Confident	82.8	Confident	127 Å²	127	55.2 Å²	55.2	56%	0.557	31%	0.306	S	S	*	.	H	α-helix	trans	-64.8	-43.6	178.2	-177.9	-102.1	0	0	0	112	W678 G719 P720 S721 L725 G726 I727	W678-F723 AromaticContact CH2-CD1 3.51Å; W678-F723 HydrophobicContact CH2-CD1 3.51Å; W678-F723 AromaticContact CH2-CE1 3.92Å; W678-F723 HydrophobicContact CH2-CE1 3.92Å; W678-F723 AromaticContact CZ3-CD1 3.86Å; W678-F723 HydrophobicContact CZ3-CD1 3.86Å; G719-F723 WeakPolarHBondContact O-CB 3.41Å; G719-F723 PolarHBondContact O-N 3.14Å; P720-F723 PolarHBondContact O-N 2.71Å; S721-F723 PolarHBondContact O-N 2.85Å; F723-L725 PolarHBondContact O-N 3.09Å; F723-G726 PolarHBondContact O-N 3.02Å; F723-I727 HydrophobicContact CD1-CD1 3.9Å; F723-I727 HydrophobicContact CE1-CD1 3.5Å; F723-I727 HydrophobicContact CE1-CG1 4.33Å; F723-I727 HydrophobicContact CZ-CD1 4.05Å; F723-I727 PolarHBondContact O-N 2.81Å
724	A	87.7	Confident	83.5	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-62.3	-41.6	174.7	0	0	0	0	0	112.2	W678 V681 I682 P720 S721 G726 I727 M728	W678-A724 HydrophobicContact CD2-CB 4.32Å; W678-A724 HydrophobicContact CE3-CB 3.77Å; W678-A724 HydrophobicContact CZ3-CB 4.05Å; V681-A724 HydrophobicContact CB-CB 4.03Å; V681-A724 VanDerWaalsContact CG1-C 3.49Å; V681-A724 HydrophobicContact CG1-CB 3.83Å; V681-A724 WeakPolarHBondContact CG1-O 3.49Å; I682-A724 HydrophobicContact CD1-CB 4.36Å; P720-A724 WeakPolarHBondContact O-CB 3.03Å; P720-A724 PolarHBondContact O-N 2.82Å; S721-A724 PolarHBondContact O-N 2.82Å; A724-G726 VanDerWaalsContact C-N 3.31Å; A724-G726 PolarHBondContact O-N 2.87Å; A724-I727 PolarHBondContact O-N 2.66Å; A724-M728 PolarHBondContact O-N 2.93Å
725	L	88.8	Confident	84	Confident	78 Å²	78	58.4 Å²	58.4	41%	0.408	32%	0.317	S	S	.	.	H	α-helix	trans	-62	-39.1	174.1	-72.1	172.8	0	0	0	111.6	V681 S721 L722 F723 M728 A729	V681-L725 HydrophobicContact CG1-CD2 4Å; V681-L725 HydrophobicContact CG1-CG 4.42Å; V681-L725 HydrophobicContact CG2-CD2 4.28Å; S721-L725 VanDerWaalsContact O-CG 3.3Å; S721-L725 WeakPolarHBondContact O-CG 3.12Å; S721-L725 PolarHBondContact O-N 3.4Å; L722-L725 PolarHBondContact O-N 2.95Å; F723-L725 PolarHBondContact O-N 3.09Å; L725-M728 HydrophobicContact CD2-CE 3.6Å; L725-M728 PolarHBondContact O-N 2.89Å; L725-A729 WeakPolarHBondContact O-CB 3.41Å; L725-A729 PolarHBondContact O-N 2.66Å
726	G	90.7	Very high	84.4	Confident	35 Å²	35	51.3 Å²	51.3	36%	0.361	30%	0.295	S	S	.	.	H	α-helix	trans	-59.1	-47.4	173.1	0	0	0	0	0	112.6	L722 F723 A724 M728 A729 V730	L722-G726 PolarHBondContact O-N 2.94Å; F723-G726 PolarHBondContact O-N 3.02Å; A724-G726 VanDerWaalsContact C-N 3.31Å; A724-G726 PolarHBondContact O-N 2.87Å; G726-M728 VanDerWaalsContact C-N 3.31Å; G726-M728 PolarHBondContact O-N 3.45Å; G726-A729 PolarHBondContact O-N 2.73Å; G726-V730 WeakPolarHBondContact O-CG2 3.31Å; G726-V730 PolarHBondContact O-N 3.13Å
727	I	89.1	Confident	84.9	Confident	33 Å²	33	55.2 Å²	55.2	17%	0.169	31%	0.314	C	S	.	.	H	α-helix	trans	-58.1	-45.4	175.2	-67.2	169.4	0	0	0	110.8	I682 L687 L695 F723 A724 V730 A731	I682-I727 HydrophobicContact CD1-CB 4.25Å; I682-I727 HydrophobicContact CD1-CD1 4.03Å; I682-I727 HydrophobicContact CD1-CG2 4.02Å; L687-I727 HydrophobicContact CD1-CG2 3.98Å; L695-I727 HydrophobicContact CD1-CD1 4.4Å; L695-I727 HydrophobicContact CD1-CG2 4.35Å; L695-I727 HydrophobicContact CD2-CD1 4.09Å; F723-I727 HydrophobicContact CD1-CD1 3.9Å; F723-I727 HydrophobicContact CE1-CD1 3.5Å; F723-I727 HydrophobicContact CE1-CG1 4.33Å; F723-I727 HydrophobicContact CZ-CD1 4.05Å; F723-I727 PolarHBondContact O-N 2.81Å; A724-I727 PolarHBondContact O-N 2.66Å; I727-V730 PolarHBondContact O-N 3.42Å; I727-A731 WeakPolarHBondContact O-CB 3.44Å; I727-A731 PolarHBondContact O-N 2.84Å
728	M	88.6	Confident	85.3	Confident	25 Å²	25	62.5 Å²	62.5	12%	0.123	34%	0.338	C	S	.	.	H	α-helix	trans	-61.7	-46	177.9	-177.9	-179.1	66.9	0	0	111.7	V681 M684 A685 A724 L725 G726 V730 A731 W732	V681-M728 HydrophobicContact CG1-CB 4.07Å; V681-M728 HydrophobicContact CG1-CE 4.41Å; V681-M728 HydrophobicContact CG1-SD 4.14Å; M684-M728 HydrophobicContact CB-SD 3.71Å; M684-M728 HydrophobicContact CE-SD 3.88Å; M684-M728 HydrophobicContact SD-SD 4.32Å; A685-M728 HydrophobicContact CB-CB 4.2Å; A685-M728 HydrophobicContact CB-CG 4.34Å; A724-M728 PolarHBondContact O-N 2.93Å; L725-M728 HydrophobicContact CD2-CE 3.6Å; L725-M728 PolarHBondContact O-N 2.89Å; G726-M728 VanDerWaalsContact C-N 3.31Å; G726-M728 PolarHBondContact O-N 3.45Å; M728-V730 PolarHBondContact O-N 3.38Å; M728-A731 PolarHBondContact O-N 3.42Å; M728-W732 HydrophobicContact CG-CD2 4.31Å; M728-W732 HydrophobicContact CG-CG 4.49Å; M728-W732 HydrophobicContact CG-CZ2 4.13Å; M728-W732 WeakPolarHBondContact O-CB 3.44Å; M728-W732 PolarHBondContact O-N 2.87Å; M728-W732 HydrophobicContact SD-CH2 4.36Å; M728-W732 HydrophobicContact SD-CZ2 3.85Å
729	A	87.6	Confident	85.3	Confident	50 Å²	50	67.8 Å²	67.8	41%	0.413	35%	0.353	S	S	.	.	H	α-helix	trans	-60.6	-44.5	179.2	0	0	0	0	0	111.7	L725 G726 W732 T733	L725-A729 WeakPolarHBondContact O-CB 3.41Å; L725-A729 PolarHBondContact O-N 2.66Å; G726-A729 PolarHBondContact O-N 2.73Å; A729-W732 PolarHBondContact O-N 3.03Å; A729-T733 WeakPolarHBondContact O-CB 3.44Å; A729-T733 PolarHBondContact O-N 2.86Å; A729-T733 PolarHBondContact O-OG1 3.1Å
730	V	88.5	Confident	84.7	Confident	94 Å²	94	77.6 Å²	77.6	57%	0.57	38%	0.382	S	S	*	.	H	α-helix	trans	-62.2	-47.8	175.6	173.1	0	0	0	0	110.6	G726 I727 M728 W732 T733 V734	G726-V730 WeakPolarHBondContact O-CG2 3.31Å; G726-V730 PolarHBondContact O-N 3.13Å; I727-V730 PolarHBondContact O-N 3.42Å; M728-V730 PolarHBondContact O-N 3.38Å; V730-W732 VanDerWaalsContact C-N 3.32Å; V730-W732 PolarHBondContact O-N 2.94Å; V730-T733 PolarHBondContact O-N 3.42Å; V730-V734 HydrophobicContact CG1-CG2 4.36Å; V730-V734 WeakPolarHBondContact O-CG2 3.39Å; V730-V734 PolarHBondContact O-N 2Å
731	A	86.1	Confident	84.2	Confident	13 Å²	13	85.9 Å²	85.9	11%	0.107	41%	0.41	C	S	.	.	H	α-helix	trans	-61.2	-39.5	-180	0	0	0	0	0	112.8	A685 L687 I727 M728 R735	A685-A731 HydrophobicContact CB-CB 4.25Å; L687-A731 HydrophobicContact CD2-CB 3.87Å; I727-A731 WeakPolarHBondContact O-CB 3.44Å; I727-A731 PolarHBondContact O-N 2.84Å; M728-A731 PolarHBondContact O-N 3.42Å; A731-R735 PolarHBondContact O-N 2.92Å
732	W	86.4	Confident	83.4	Confident	35 Å²	35	89.2 Å²	89.2	13%	0.133	43%	0.432	C	S	.	.	H	α-helix	trans	-71.2	-39.1	176.6	-74.3	21	0	0	0	111.8	M684 M728 A729 V730 R735 T736 Y743 P744 W750 L754	M684-W732 PolarHBondContact O-NE1 2.95Å; M728-W732 HydrophobicContact CG-CD2 4.31Å; M728-W732 HydrophobicContact CG-CG 4.49Å; M728-W732 HydrophobicContact CG-CZ2 4.13Å; M728-W732 WeakPolarHBondContact O-CB 3.44Å; M728-W732 PolarHBondContact O-N 2.87Å; M728-W732 HydrophobicContact SD-CH2 4.36Å; M728-W732 HydrophobicContact SD-CZ2 3.85Å; A729-W732 PolarHBondContact O-N 3.03Å; V730-W732 VanDerWaalsContact C-N 3.32Å; V730-W732 PolarHBondContact O-N 2.94Å; W732-R735 PolarHBondContact O-N 3.22Å; W732-T736 WeakPolarHBondContact O-CB 3.47Å; W732-T736 PolarHBondContact O-N 2.87Å; W732-T736 PolarHBondContact O-OG1 2.78Å; W732-Y743 HydrophobicContact CB-CD1 4.47Å; W732-Y743 AromaticContact CD1-CD1 3.85Å; W732-Y743 AromaticContact CD1-CE1 3.94Å; W732-Y743 HydrophobicContact CD2-CD1 4.24Å; W732-Y743 AromaticContact CG-CD1 3.92Å; W732-Y743 HydrophobicContact CG-CD1 3.92Å; W732-Y743 HydrophobicContact CG-CE1 4.43Å; W732-Y743 AromaticContact NE1-CE1 3.85Å; W732-P744 HydrophobicContact CH2-CG 4.4Å; W732-P744 HydrophobicContact CZ2-CG 4.46Å; W732-W750 AromaticContact CZ3-CH2 3.98Å; W732-W750 HydrophobicContact CZ3-CH2 3.98Å; W732-W750 HydrophobicContact CZ3-CZ2 4.22Å; W732-L754 HydrophobicContact CH2-CD1 3.93Å; W732-L754 HydrophobicContact CH2-CD2 4.2Å
733	T	84.7	Confident	82.3	Confident	78 Å²	78	86.2 Å²	86.2	48%	0.479	42%	0.415	S	S	.	.	H	α-helix	trans	-63.2	-49.7	177.2	-57.6	0	0	0	0	111.2	A729 V730 R735 T736 I737	A729-T733 WeakPolarHBondContact O-CB 3.44Å; A729-T733 PolarHBondContact O-N 2.86Å; A729-T733 PolarHBondContact O-OG1 3.1Å; V730-T733 PolarHBondContact O-N 3.42Å; T733-R735 VanDerWaalsContact C-N 3.28Å; T733-R735 PolarHBondContact O-N 2.93Å; T733-T736 WeakPolarHBondContact O-CB 3.42Å; T733-T736 PolarHBondContact O-N 2.95Å; T733-T736 VanDerWaalsContact O-N 3.09Å; T733-I737 HydrophobicContact CG2-CD1 3.91Å; T733-I737 WeakPolarHBondContact O-CG1 3.46Å; T733-I737 PolarHBondContact O-N 2.89Å
734	V	84.9	Confident	81.1	Confident	62 Å²	62	80.3 Å²	80.3	38%	0.376	39%	0.389	S	S	.	.	H	α-helix	trans	-58.1	-41.4	177.2	171.2	0	0	0	0	111.3	V730 R738	V730-V734 HydrophobicContact CG1-CG2 4.36Å; V730-V734 WeakPolarHBondContact O-CG2 3.39Å; V730-V734 PolarHBondContact O-N 2Å; V734-R738 WeakPolarHBondContact O-CB 3.41Å; V734-R738 WeakPolarHBondContact O-CG 3.1Å; V734-R738 PolarHBondContact O-N 3Å
735	R	81.6	Confident	79.9	Confident	72 Å²	72	84.9 Å²	84.9	27%	0.272	42%	0.419	S	S	.	.	H	α-helix	trans	-67.7	-39.1	175.8	-83	-171.5	173.5	109.3	-0.1	113.2	A685 R686 A731 W732 T733 I737 R738 R739 Y743	A685-R735 PolarHBondContact O-NH1 3.12Å; R686-R735 VanDerWaalsContact O-CZ 3.26Å; R686-R735 PolarHBondContact O-NH1 3.46Å; R686-R735 PolarHBondContact O-NH2 3.41Å; A731-R735 PolarHBondContact O-N 2.92Å; W732-R735 PolarHBondContact O-N 3.22Å; T733-R735 VanDerWaalsContact C-N 3.28Å; T733-R735 PolarHBondContact O-N 2.93Å; R735-I737 VanDerWaalsContact C-N 3.35Å; R735-R738 PolarHBondContact O-N 3.05Å; R735-R739 WeakPolarHBondContact O-CB 3.33Å; R735-R739 PolarHBondContact O-N 3.08Å; R735-Y743 HydrophobicContact CB-CG 4.45Å
736	T	81.6	Confident	79.1	Confident	40 Å²	40	84.8 Å²	84.8	25%	0.245	42%	0.422	C	S	.	.	H	α-helix	trans	-63.5	-44	178.3	-61	0	0	0	0	110.4	W732 T733 R740 R741 Y743	W732-T736 WeakPolarHBondContact O-CB 3.47Å; W732-T736 PolarHBondContact O-N 2.87Å; W732-T736 PolarHBondContact O-OG1 2.78Å; T733-T736 WeakPolarHBondContact O-CB 3.42Å; T733-T736 PolarHBondContact O-N 2.95Å; T733-T736 VanDerWaalsContact O-N 3.09Å; T736-R740 WeakPolarHBondContact O-CA 3.43Å; T736-R740 PolarHBondContact O-N 2.76Å; T736-R741 WeakPolarHBondContact CA-O 3.08Å; T736-Y743 PolarHBondContact OG1-N 2.94Å
737	I	84.2	Confident	78.4	Confident	125 Å²	125	92.1 Å²	92.1	64%	0.641	44%	0.438	S	S	*	.	H	α-helix	trans	-63.2	-49	175.3	-65	167.9	0	0	0	110.7	T733 R735 R739	T733-I737 HydrophobicContact CG2-CD1 3.91Å; T733-I737 WeakPolarHBondContact O-CG1 3.46Å; T733-I737 PolarHBondContact O-N 2.89Å; R735-I737 VanDerWaalsContact C-N 3.35Å; I737-R739 PolarHBondContact O-N 2.8Å
738	R	80.5	Confident	77.9	Confident	208 Å²	208	97.8 Å²	97.8	79%	0.785	46%	0.462	S	S	*	.	H	α-helix	trans	-63.8	-34.9	-179.9	-76.9	-174.4	-176.2	172.8	2.3	113.7	V734 R735	V734-R738 WeakPolarHBondContact O-CB 3.41Å; V734-R738 WeakPolarHBondContact O-CG 3.1Å; V734-R738 PolarHBondContact O-N 3Å; R735-R738 PolarHBondContact O-N 3.05Å
739	R	76.1	Confident	77.5	Confident	179 Å²	179	97.8 Å²	97.8	68%	0.675	46%	0.461	S	S	*	.	H	α-helix	trans	-100	-2.9	-176.2	-65.2	-170.6	174.3	-157	-2.2	114.2	R735 I737 R741	R735-R739 WeakPolarHBondContact O-CB 3.33Å; R735-R739 PolarHBondContact O-N 3.08Å; I737-R739 PolarHBondContact O-N 2.8Å; R739-R741 PolarHBondContact O-N 2.01Å
740	R	71.1	Confident	77.1	Confident	235 Å²	235	100.5 Å²	100.5	89%	0.887	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	25.2	-175.9	-60.6	-171	179.2	-178.8	0.3	114.9	T736	T736-R740 WeakPolarHBondContact O-CA 3.43Å; T736-R740 PolarHBondContact O-N 2.76Å
741	R	71.6	Confident	76.8	Confident	198 Å²	198	98.6 Å²	98.6	75%	0.747	45%	0.449	S	S	*	.	S	Bend	trans	-142.1	143.3	175.9	-69.5	-172.1	-178.5	-174.9	1.1	109.1	T736 R739 Y743	T736-R741 WeakPolarHBondContact CA-O 3.08Å; R739-R741 PolarHBondContact O-N 2.01Å; R741-Y743 PolarHBondContact O-N 2.84Å
742	C	66.3	Low	76.7	Confident	98 Å²	98	104 Å²	104	66%	0.662	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-58.8	129.4	177.6	-61	0	0	0	0	110.9	P744	C742-P744 CarbonylContact O-C 3.43Å
743	Y	62.8	Low	76.5	Confident	26 Å²	26	107 Å²	107	10%	0.102	48%	0.484	C	S	.	.	S	Bend	trans	-102.8	132.2	176.5	-176.9	-93.5	0	0	0	109.9	R686 W732 R735 T736 R741	R686-Y743 WeakPolarHBondContact CD-OH 3.31Å; W732-Y743 HydrophobicContact CB-CD1 4.47Å; W732-Y743 AromaticContact CD1-CD1 3.85Å; W732-Y743 AromaticContact CD1-CE1 3.94Å; W732-Y743 HydrophobicContact CD2-CD1 4.24Å; W732-Y743 AromaticContact CG-CD1 3.92Å; W732-Y743 HydrophobicContact CG-CD1 3.92Å; W732-Y743 HydrophobicContact CG-CE1 4.43Å; W732-Y743 AromaticContact NE1-CE1 3.85Å; R735-Y743 HydrophobicContact CB-CG 4.45Å; T736-Y743 PolarHBondContact OG1-N 2.94Å; R741-Y743 PolarHBondContact O-N 2.84Å
744	P	64.3	Low	76.4	Confident	3 Å²	3	103.7 Å²	103.7	2%	0.019	46%	0.464	C	S	.	.	S	Bend	cis	-73.1	145.9	1.9	-19.1	32.9	0	0	0	114.9	W732 C742 T746 W750 L754	W732-P744 HydrophobicContact CH2-CG 4.4Å; W732-P744 HydrophobicContact CZ2-CG 4.46Å; C742-P744 CarbonylContact O-C 3.43Å; P744-T746 VanDerWaalsContact C-N 3.32Å; P744-T746 PolarHBondContact O-N 2.86Å; P744-W750 PolarHBondContact O-NE1 2.84Å; P744-L754 HydrophobicContact CG-CD1 3.9Å
745	P	61.5	Low	76.5	Confident	95 Å²	95	106.9 Å²	106.9	62%	0.617	47%	0.473	S	S	*	.			trans	-77.2	-7.2	-168.8	30.3	-36.4	0	0	0	115.4
746	T	73.8	Confident	76.9	Confident	77 Å²	77	105.2 Å²	105.2	47%	0.472	47%	0.471	S	S	.	.			trans	-106.7	114.2	-175.4	44.3	0	0	0	0	111.5	P744 K748 R749 W750	P744-T746 VanDerWaalsContact C-N 3.32Å; P744-T746 PolarHBondContact O-N 2.86Å; T746-K748 PolarHBondContact O-N 3.29Å; T746-R749 WeakPolarHBondContact O-CB 3.45Å; T746-R749 PolarHBondContact O-N 2.78Å; T746-R749 WeakPolarHBondContact OG1-CB 2.89Å; T746-W750 PolarHBondContact O-N 3.22Å
747	W	75.4	Confident	77.2	Confident	188 Å²	188	103.3 Å²	103.3	71%	0.712	46%	0.459	S	S	*	.	H	α-helix	trans	-55.9	-35.4	175.7	177.8	84.2	0	0	0	112.9	R749 W750 V751	W747-R749 PolarHBondContact O-N 2.84Å; W747-W750 WeakPolarHBondContact O-CB 3.14Å; W747-W750 PolarHBondContact O-N 2.98Å; W747-W750 VanDerWaalsContact O-N 3.1Å; W747-V751 HydrophobicContact CD2-CG2 3.94Å; W747-V751 VanDerWaalsContact CE2-CG2 3.45Å; W747-V751 HydrophobicContact CE3-CG2 4.42Å; W747-V751 HydrophobicContact CG-CG2 4.49Å; W747-V751 HydrophobicContact CH2-CG2 4.08Å; W747-V751 HydrophobicContact CZ2-CG2 3.55Å; W747-V751 HydrophobicContact CZ3-CG2 4.48Å; W747-V751 PolarHBondContact O-N 2.78Å
748	K	78	Confident	77.4	Confident	152 Å²	152	100.5 Å²	100.5	66%	0.661	45%	0.448	S	S	*	.	H	α-helix	trans	-56.3	-34.5	173.2	-66.6	-173.2	178.8	-175	0	112.8	T746 F752	T746-K748 PolarHBondContact O-N 3.29Å; K748-F752 HydrophobicContact CB-CD2 4.29Å; K748-F752 WeakPolarHBondContact O-CB 3.41Å; K748-F752 VanDerWaalsContact O-CD2 3.3Å; K748-F752 WeakPolarHBondContact O-CD2 3.27Å; K748-F752 PolarHBondContact O-N 2.84Å
749	R	79.8	Confident	77.8	Confident	26 Å²	26	94.6 Å²	94.6	10%	0.098	43%	0.43	C	S	.	.	H	α-helix	trans	-75.2	-33.9	179.2	-173.8	171.6	177.3	-169.2	-9	112.3	T746 W747 F753 L754 P797	T746-R749 WeakPolarHBondContact O-CB 3.45Å; T746-R749 PolarHBondContact O-N 2.78Å; T746-R749 WeakPolarHBondContact OG1-CB 2.89Å; W747-R749 PolarHBondContact O-N 2.84Å; R749-F753 HydrophobicContact CG-CB 4.42Å; R749-F753 WeakPolarHBondContact O-CB 2.94Å; R749-F753 PolarHBondContact O-N 2.85Å; R749-L754 PolarHBondContact O-N 2.03Å; R749-P797 VanDerWaalsContact NH2-CB 3.3Å
750	W	80.3	Confident	78.6	Confident	107 Å²	107	88.3 Å²	88.3	41%	0.405	41%	0.41	S	S	.	.	I	π-helix	trans	-63.3	-50.1	173.2	-78.5	92.8	0	0	0	111.2	W732 P744 T746 W747 L754 F755	W732-W750 AromaticContact CZ3-CH2 3.98Å; W732-W750 HydrophobicContact CZ3-CH2 3.98Å; W732-W750 HydrophobicContact CZ3-CZ2 4.22Å; P744-W750 PolarHBondContact O-NE1 2.84Å; T746-W750 PolarHBondContact O-N 3.22Å; W747-W750 WeakPolarHBondContact O-CB 3.14Å; W747-W750 PolarHBondContact O-N 2.98Å; W747-W750 VanDerWaalsContact O-N 3.1Å; W750-L754 HydrophobicContact CD2-CD1 4.09Å; W750-L754 HydrophobicContact CE3-CD1 4.2Å; W750-F755 VanDerWaalsContact O-CB 3.26Å; W750-F755 WeakPolarHBondContact O-CB 3.34Å; W750-F755 PolarHBondContact O-N 2.85Å
751	V	82.4	Confident	79.4	Confident	54 Å²	54	78.2 Å²	78.2	33%	0.327	38%	0.377	S	S	.	.	I	π-helix	trans	-75.2	-40.5	-174.4	176.3	0	0	0	0	113.5	W747 P756	W747-V751 HydrophobicContact CD2-CG2 3.94Å; W747-V751 VanDerWaalsContact CE2-CG2 3.45Å; W747-V751 HydrophobicContact CE3-CG2 4.42Å; W747-V751 HydrophobicContact CG-CG2 4.49Å; W747-V751 HydrophobicContact CH2-CG2 4.08Å; W747-V751 HydrophobicContact CZ2-CG2 3.55Å; W747-V751 HydrophobicContact CZ3-CG2 4.48Å; W747-V751 PolarHBondContact O-N 2.78Å; V751-P756 WeakPolarHBondContact O-CD 3.45Å; V751-P756 WeakPolarHBondContact O-CG 3.48Å
752	F	82.4	Confident	80.1	Confident	127 Å²	127	72.2 Å²	72.2	56%	0.557	36%	0.362	S	S	*	.	I	π-helix	trans	-96.2	-14.5	-172.2	-67.8	-71	0	0	0	115.2	K748	K748-F752 HydrophobicContact CB-CD2 4.29Å; K748-F752 WeakPolarHBondContact O-CB 3.41Å; K748-F752 VanDerWaalsContact O-CD2 3.3Å; K748-F752 WeakPolarHBondContact O-CD2 3.27Å; K748-F752 PolarHBondContact O-N 2.84Å
753	F	83.2	Confident	81.2	Confident	97 Å²	97	70.5 Å²	70.5	43%	0.425	35%	0.351	S	S	.	.	I	π-helix	trans	-127.8	-57.5	-174.9	-65.9	-88.9	0	0	0	112.3	R749 G757	R749-F753 HydrophobicContact CG-CB 4.42Å; R749-F753 WeakPolarHBondContact O-CB 2.94Å; R749-F753 PolarHBondContact O-N 2.85Å; F753-G757 PolarHBondContact O-N 3.44Å
754	L	83.7	Confident	82.4	Confident	9 Å²	9	69.2 Å²	69.2	5%	0.047	35%	0.346	C	S	.	.	I	π-helix	trans	-71.5	-47.5	-174.3	-71.6	173.3	0	0	0	113	M684 W732 P744 R749 W750 T758 L795	M684-L754 HydrophobicContact SD-CD2 4.29Å; W732-L754 HydrophobicContact CH2-CD1 3.93Å; W732-L754 HydrophobicContact CH2-CD2 4.2Å; P744-L754 HydrophobicContact CG-CD1 3.9Å; R749-L754 PolarHBondContact O-N 2.03Å; W750-L754 HydrophobicContact CD2-CD1 4.09Å; W750-L754 HydrophobicContact CE3-CD1 4.2Å; L754-T758 VanDerWaalsContact O-CB 3.27Å; L754-T758 WeakPolarHBondContact O-CB 3.03Å; L754-T758 PolarHBondContact O-N 3.48Å; L754-T758 PolarHBondContact O-OG1 3.38Å; L754-L795 HydrophobicContact CD2-CD2 4.14Å
755	F	86.8	Confident	83.3	Confident	129 Å²	129	73 Å²	73	57%	0.566	37%	0.369	S	S	*	.	H	α-helix	trans	-64.7	-50.3	-179.6	178.6	-94.6	0	0	0	112	W750 G757 T758 M759	W750-F755 VanDerWaalsContact O-CB 3.26Å; W750-F755 WeakPolarHBondContact O-CB 3.34Å; W750-F755 PolarHBondContact O-N 2.85Å; F755-G757 PolarHBondContact O-N 2.82Å; F755-T758 PolarHBondContact O-N 2.02Å; F755-M759 HydrophobicContact CD1-CG 4.28Å; F755-M759 HydrophobicContact CD2-CG 4.31Å; F755-M759 HydrophobicContact CE1-CG 3.92Å; F755-M759 HydrophobicContact CE2-CE 4.44Å; F755-M759 HydrophobicContact CE2-CG 3.95Å; F755-M759 HydrophobicContact CE2-SD 4.21Å; F755-M759 HydrophobicContact CG-CG 4.47Å; F755-M759 HydrophobicContact CZ-CG 3.74Å; F755-M759 HydrophobicContact CZ-SD 4.09Å; F755-M759 WeakPolarHBondContact O-CB 3.1Å; F755-M759 VanDerWaalsContact O-CG 3.28Å; F755-M759 WeakPolarHBondContact O-CG 3.48Å; F755-M759 PolarHBondContact O-N 2.84Å
756	P	88.6	Confident	84.4	Confident	37 Å²	37	70.4 Å²	70.4	24%	0.24	36%	0.356	C	S	.	.	H	α-helix	trans	-60.4	-45.1	175.4	-23.7	35	0	0	0	112.4	V751 T758 M759 I760	V751-P756 WeakPolarHBondContact O-CD 3.45Å; V751-P756 WeakPolarHBondContact O-CG 3.48Å; P756-T758 PolarHBondContact O-N 3Å; P756-M759 PolarHBondContact O-N 3.37Å; P756-I760 WeakPolarHBondContact O-CB 3.31Å; P756-I760 WeakPolarHBondContact O-CD1 3.45Å; P756-I760 WeakPolarHBondContact O-CG1 3.48Å; P756-I760 PolarHBondContact O-N 3.01Å
757	G	88.4	Confident	85	Confident	0 Å²	0	69 Å²	69	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-62.3	-42.3	179.3	0	0	0	0	0	113.1	F753 F755 A761	F753-G757 PolarHBondContact O-N 3.44Å; F755-G757 PolarHBondContact O-N 2.82Å; G757-A761 WeakPolarHBondContact O-CB 3.43Å; G757-A761 PolarHBondContact O-N 3.14Å
758	T	87.6	Confident	85.2	Confident	65 Å²	65	63.1 Å²	63.1	40%	0.399	32%	0.323	S	S	.	.	H	α-helix	trans	-69	-42.6	178.4	-50	0	0	0	0	111.1	L754 F755 P756 I760 A761 T762	L754-T758 VanDerWaalsContact O-CB 3.27Å; L754-T758 WeakPolarHBondContact O-CB 3.03Å; L754-T758 PolarHBondContact O-N 3.48Å; L754-T758 PolarHBondContact O-OG1 3.38Å; F755-T758 PolarHBondContact O-N 2.02Å; P756-T758 PolarHBondContact O-N 3Å; T758-I760 PolarHBondContact O-N 2.94Å; T758-A761 PolarHBondContact O-N 2.9Å; T758-T762 HydrophobicContact CG2-CG2 4.47Å; T758-T762 WeakPolarHBondContact O-CG2 3.28Å; T758-T762 PolarHBondContact O-N 3.24Å; T758-T762 PolarHBondContact O-OG1 2.88Å; T758-T762 VanDerWaalsContact O-OG1 3.05Å
759	M	90.3	Very high	85.2	Confident	85 Å²	85	57.4 Å²	57.4	42%	0.419	30%	0.304	S	S	.	.	H	α-helix	trans	-60.7	-44	176.3	-73.7	-68.7	99.8	0	0	112	F755 P756 T762 S763	F755-M759 HydrophobicContact CD1-CG 4.28Å; F755-M759 HydrophobicContact CD2-CG 4.31Å; F755-M759 HydrophobicContact CE1-CG 3.92Å; F755-M759 HydrophobicContact CE2-CE 4.44Å; F755-M759 HydrophobicContact CE2-CG 3.95Å; F755-M759 HydrophobicContact CE2-SD 4.21Å; F755-M759 HydrophobicContact CG-CG 4.47Å; F755-M759 HydrophobicContact CZ-CG 3.74Å; F755-M759 HydrophobicContact CZ-SD 4.09Å; F755-M759 WeakPolarHBondContact O-CB 3.1Å; F755-M759 VanDerWaalsContact O-CG 3.28Å; F755-M759 WeakPolarHBondContact O-CG 3.48Å; F755-M759 PolarHBondContact O-N 2.84Å; P756-M759 PolarHBondContact O-N 3.37Å; M759-T762 WeakPolarHBondContact CA-OG1 3.33Å; M759-T762 PolarHBondContact O-N 2.89Å; M759-T762 PolarHBondContact O-OG1 2.79Å; M759-S763 WeakPolarHBondContact O-CB 3.4Å; M759-S763 PolarHBondContact O-N 3.06Å; M759-S763 PolarHBondContact O-OG 3Å
760	I	91.6	Very high	85.1	Confident	46 Å²	46	64.4 Å²	64.4	24%	0.236	34%	0.335	C	S	.	.	H	α-helix	trans	-62.1	-45.9	176.4	-67.2	166	0	0	0	110.4	P756 T758 S763 A764 L787 F794	P756-I760 WeakPolarHBondContact O-CB 3.31Å; P756-I760 WeakPolarHBondContact O-CD1 3.45Å; P756-I760 WeakPolarHBondContact O-CG1 3.48Å; P756-I760 PolarHBondContact O-N 3.01Å; T758-I760 PolarHBondContact O-N 2.94Å; I760-S763 PolarHBondContact O-N 2.84Å; I760-A764 PolarHBondContact O-N 2.92Å; I760-L787 HydrophobicContact CG2-CB 3.98Å; I760-L787 HydrophobicContact CG2-CD2 3.92Å; I760-L787 WeakPolarHBondContact CG2-O 3.42Å; I760-F794 HydrophobicContact CD1-CD2 4.04Å; I760-F794 HydrophobicContact CD1-CE2 4.01Å
761	A	88.4	Confident	85.1	Confident	24 Å²	24	62.3 Å²	62.3	20%	0.198	33%	0.334	C	S	.	.	H	α-helix	trans	-62.9	-43.1	179	0	0	0	0	0	112.5	G757 T758 A764 V765	G757-A761 WeakPolarHBondContact O-CB 3.43Å; G757-A761 PolarHBondContact O-N 3.14Å; T758-A761 PolarHBondContact O-N 2.9Å; A761-A764 WeakPolarHBondContact O-CB 2.94Å; A761-A764 PolarHBondContact O-N 2.78Å; A761-V765 WeakPolarHBondContact O-CG2 3.28Å; A761-V765 PolarHBondContact O-N 2.89Å; A761-V765 VanDerWaalsContact O-N 3.11Å
762	T	87.4	Confident	84.7	Confident	72 Å²	72	61.5 Å²	61.5	44%	0.442	33%	0.327	S	S	.	.	H	α-helix	trans	-65.5	-39.7	177.1	48.9	0	0	0	0	112.1	T758 M759 A764 V765 A766	T758-T762 HydrophobicContact CG2-CG2 4.47Å; T758-T762 WeakPolarHBondContact O-CG2 3.28Å; T758-T762 PolarHBondContact O-N 3.24Å; T758-T762 PolarHBondContact O-OG1 2.88Å; T758-T762 VanDerWaalsContact O-OG1 3.05Å; M759-T762 WeakPolarHBondContact CA-OG1 3.33Å; M759-T762 PolarHBondContact O-N 2.89Å; M759-T762 PolarHBondContact O-OG1 2.79Å; T762-A764 VanDerWaalsContact C-N 3.33Å; T762-V765 PolarHBondContact O-N 2.81Å; T762-A766 WeakPolarHBondContact O-CB 3.31Å; T762-A766 PolarHBondContact O-N 2.91Å
763	S	89.4	Confident	84.2	Confident	61 Å²	61	58.2 Å²	58.2	43%	0.427	32%	0.317	S	S	.	.	H	α-helix	trans	-65	-38.1	175.7	-64.1	0	0	0	0	111.8	M759 I760 A766 L767	M759-S763 WeakPolarHBondContact O-CB 3.4Å; M759-S763 PolarHBondContact O-N 3.06Å; M759-S763 PolarHBondContact O-OG 3Å; I760-S763 PolarHBondContact O-N 2.84Å; S763-A766 PolarHBondContact O-N 3.35Å; S763-L767 WeakPolarHBondContact O-CG 3.44Å; S763-L767 PolarHBondContact O-N 2.81Å
764	A	87.8	Confident	83.4	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-60.8	-50.8	175.1	0	0	0	0	0	111.3	I760 A761 T762 A766 L767 Y768 W784 L787 I788	I760-A764 PolarHBondContact O-N 2.92Å; A761-A764 WeakPolarHBondContact O-CB 2.94Å; A761-A764 PolarHBondContact O-N 2.78Å; T762-A764 VanDerWaalsContact C-N 3.33Å; A764-A766 VanDerWaalsContact C-N 3.29Å; A764-A766 PolarHBondContact O-N 2.57Å; A764-L767 PolarHBondContact O-N 2.88Å; A764-Y768 PolarHBondContact O-N 2.98Å; A764-W784 VanDerWaalsContact O-CD1 3.23Å; A764-L787 HydrophobicContact CB-CB 3.71Å; A764-L787 HydrophobicContact CB-CD1 4.28Å; A764-I788 HydrophobicContact CB-CD1 3.64Å; A764-I788 HydrophobicContact CB-CG1 3.78Å
765	V	83.5	Confident	82.7	Confident	81 Å²	81	66.5 Å²	66.5	49%	0.491	36%	0.357	S	S	.	.	H	α-helix	trans	-61.6	-38.2	178.5	178.8	0	0	0	0	111.5	A761 T762 Y768 A769	A761-V765 WeakPolarHBondContact O-CG2 3.28Å; A761-V765 PolarHBondContact O-N 2.89Å; A761-V765 VanDerWaalsContact O-N 3.11Å; T762-V765 PolarHBondContact O-N 2.81Å; V765-Y768 PolarHBondContact O-N 3.22Å; V765-A769 VanDerWaalsContact O-CB 3.27Å; V765-A769 WeakPolarHBondContact O-CB 3.32Å; V765-A769 PolarHBondContact O-N 3.44Å
766	A	84.8	Confident	82.5	Confident	42 Å²	42	62.3 Å²	62.3	35%	0.347	34%	0.341	S	S	.	.	H	α-helix	trans	-65.8	-41.8	177	0	0	0	0	0	112.9	T762 S763 A764 A769 F770	T762-A766 WeakPolarHBondContact O-CB 3.31Å; T762-A766 PolarHBondContact O-N 2.91Å; S763-A766 PolarHBondContact O-N 3.35Å; A764-A766 VanDerWaalsContact C-N 3.29Å; A764-A766 PolarHBondContact O-N 2.57Å; A766-A769 PolarHBondContact O-N 3.43Å; A766-F770 HydrophobicContact CB-CD2 4.4Å; A766-F770 WeakPolarHBondContact O-CB 3.21Å; A766-F770 WeakPolarHBondContact O-CD2 3.25Å; A766-F770 PolarHBondContact O-N 2.77Å
767	L	84.8	Confident	82.2	Confident	48 Å²	48	62.8 Å²	62.8	25%	0.251	34%	0.338	S	S	.	.	H	α-helix	trans	-62	-45.4	175.8	-75.4	170.7	0	0	0	111.4	S763 A764 V771 E772 I780 I783 L787	S763-L767 WeakPolarHBondContact O-CG 3.44Å; S763-L767 PolarHBondContact O-N 2.81Å; A764-L767 PolarHBondContact O-N 2.88Å; L767-V771 HydrophobicContact CD2-CB 4.26Å; L767-V771 HydrophobicContact CD2-CG1 4.46Å; L767-V771 HydrophobicContact CD2-CG2 4.08Å; L767-V771 WeakPolarHBondContact O-CB 3.17Å; L767-V771 PolarHBondContact O-N 2.75Å; L767-E772 PolarHBondContact O-N 2.84Å; L767-I780 HydrophobicContact CB-CG2 4.37Å; L767-I783 HydrophobicContact CD1-CG2 3.99Å; L767-L787 HydrophobicContact CD1-CD1 3.52Å
768	Y	80.7	Confident	82	Confident	64 Å²	64	63.7 Å²	63.7	25%	0.251	34%	0.342	S	S	.	.	H	α-helix	trans	-62	-44.6	176.8	179	-102	0	0	0	112.4	L717 A764 V765 E772	L717-Y768 HydrophobicContact CD2-CD1 4.34Å; L717-Y768 HydrophobicContact CD2-CE1 3.68Å; A764-Y768 PolarHBondContact O-N 2.98Å; V765-Y768 PolarHBondContact O-N 3.22Å; Y768-E772 WeakPolarHBondContact CD2-OE2 3.48Å
769	A	77.1	Confident	82	Confident	31 Å²	31	65.6 Å²	65.6	26%	0.256	34%	0.342	S	S	.	.	H	α-helix	trans	-78.2	-31.5	-173.5	0	0	0	0	0	114.5	V765 A766	V765-A769 VanDerWaalsContact O-CB 3.27Å; V765-A769 WeakPolarHBondContact O-CB 3.32Å; V765-A769 PolarHBondContact O-N 3.44Å; A766-A769 PolarHBondContact O-N 3.43Å
770	F	78.4	Confident	81.9	Confident	173 Å²	173	62.6 Å²	62.6	76%	0.759	33%	0.328	S	S	*	.	H	α-helix	trans	-120.2	-18.4	-168.4	-60.1	-68.8	0	0	0	115.2	A766	A766-F770 HydrophobicContact CB-CD2 4.4Å; A766-F770 WeakPolarHBondContact O-CB 3.21Å; A766-F770 WeakPolarHBondContact O-CD2 3.25Å; A766-F770 PolarHBondContact O-N 2.77Å
771	V	79.2	Confident	81.7	Confident	63 Å²	63	61.2 Å²	61.2	38%	0.382	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-23.4	-169.8	-174.6	0	0	0	0	113	L767 N776 I780	L767-V771 HydrophobicContact CD2-CB 4.26Å; L767-V771 HydrophobicContact CD2-CG1 4.46Å; L767-V771 HydrophobicContact CD2-CG2 4.08Å; L767-V771 WeakPolarHBondContact O-CB 3.17Å; L767-V771 PolarHBondContact O-N 2.75Å; V771-N776 PolarHBondContact O-ND2 3.37Å; V771-I780 HydrophobicContact CG1-CD1 3.95Å; V771-I780 HydrophobicContact CG1-CG1 4.32Å
772	E	74.4	Confident	81.9	Confident	38 Å²	38	60.2 Å²	60.2	18%	0.178	31%	0.312	C	S	.	.			trans	-69.3	129.2	-178.3	-165.4	169.4	143.2	0	0	112.7	L767 Y768 Y777 I780 H781	L767-E772 PolarHBondContact O-N 2.84Å; Y768-E772 WeakPolarHBondContact CD2-OE2 3.48Å; E772-Y777 HydrophobicContact CG-CD2 4.41Å; E772-Y777 WeakPolarHBondContact OE1-CD2 3.43Å; E772-I780 HydrophobicContact CB-CG2 4.06Å; E772-I780 HydrophobicContact CG-CG2 4.42Å; E772-H781 IonicContact OE1-ND1 3.41Å; E772-H781 PolarHBondContact OE1-ND1 3.48Å; E772-H781 IonicContact OE2-ND1 3.51Å
773	T	71.6	Confident	82.1	Confident	57 Å²	57	60.5 Å²	60.5	35%	0.35	31%	0.31	S	S	.	.			trans	-137.7	168.9	178.1	71.2	0	0	0	0	110.5	I198 E775 N776 Y777	I198-T773 VanDerWaalsContact CD1-C 3.49Å; T773-E775 VanDerWaalsContact C-N 3.28Å; T773-E775 PolarHBondContact O-N 3.14Å; T773-N776 PolarHBondContact N-OD1 3.49Å; T773-N776 PolarHBondContact O-N 3.39Å; T773-N776 PolarHBondContact O-OD1 3.29Å; T773-N776 PolarHBondContact OG1-N 3.47Å; T773-N776 PolarHBondContact OG1-ND2 3.04Å; T773-N776 PolarHBondContact OG1-OD1 3.02Å; T773-Y777 WeakPolarHBondContact O-CA 3.49Å; T773-Y777 WeakPolarHBondContact O-CB 3.49Å; T773-Y777 PolarHBondContact O-N 3.18Å
774	E	67.6	Low	82.2	Confident	125 Å²	125	59.3 Å²	59.3	58%	0.584	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-39.7	-177.4	-58.5	-166.3	155.7	0	0	110.9	I198	I198-E774 HydrophobicContact CB-CG 4.48Å; I198-E774 HydrophobicContact CD1-CB 4.12Å; I198-E774 HydrophobicContact CD1-CG 3.35Å; I198-E774 HydrophobicContact CG1-CB 4.1Å; I198-E774 HydrophobicContact CG1-CG 3.04Å
775	E	68.9	Low	82.3	Confident	156 Å²	156	59.4 Å²	59.4	73%	0.729	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-31.4	-175.9	-60.2	-170.5	163.2	0	0	112.7	T773 F778	T773-E775 VanDerWaalsContact C-N 3.28Å; T773-E775 PolarHBondContact O-N 3.14Å; E775-F778 WeakPolarHBondContact O-CE1 3.47Å
776	N	81.3	Confident	82.7	Confident	40 Å²	40	59.8 Å²	59.8	21%	0.214	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-1	-177.9	78.2	11.9	0	0	0	113.7	V771 T773 F778 Y779 I780	V771-N776 PolarHBondContact O-ND2 3.37Å; T773-N776 PolarHBondContact N-OD1 3.49Å; T773-N776 PolarHBondContact O-N 3.39Å; T773-N776 PolarHBondContact O-OD1 3.29Å; T773-N776 PolarHBondContact OG1-N 3.47Å; T773-N776 PolarHBondContact OG1-ND2 3.04Å; T773-N776 PolarHBondContact OG1-OD1 3.02Å; N776-F778 VanDerWaalsContact C-N 3.29Å; N776-F778 PolarHBondContact O-N 3.03Å; N776-Y779 PolarHBondContact O-N 2.81Å; N776-I780 HydrophobicContact CB-CG1 4.15Å; N776-I780 PolarHBondContact O-N 2.69Å
777	Y	83.2	Confident	83.1	Confident	48 Å²	48	59.9 Å²	59.9	19%	0.188	29%	0.289	C	S	.	.	H	α-helix	trans	-44.6	-53.5	-175.3	165.9	-111.3	0	0	0	111.8	L610 D650 E772 T773 Y779 I780 H781	L610-Y777 HydrophobicContact CD2-CE1 3.76Å; D650-Y777 PolarHBondContact OD2-OH 3.43Å; E772-Y777 HydrophobicContact CG-CD2 4.41Å; E772-Y777 WeakPolarHBondContact OE1-CD2 3.43Å; T773-Y777 WeakPolarHBondContact O-CA 3.49Å; T773-Y777 WeakPolarHBondContact O-CB 3.49Å; T773-Y777 PolarHBondContact O-N 3.18Å; Y777-Y779 VanDerWaalsContact C-N 3.26Å; Y777-Y779 PolarHBondContact O-N 3.06Å; Y777-I780 PolarHBondContact O-N 3.14Å; Y777-H781 HydrophobicContact CD2-CB 3.9Å; Y777-H781 HydrophobicContact CE2-CB 3.84Å; Y777-H781 AromaticContact CE2-CG 3.63Å; Y777-H781 AromaticContact CE2-ND1 3.77Å; Y777-H781 WeakPolarHBondContact O-CA 3.31Å; Y777-H781 WeakPolarHBondContact O-CB 3.33Å; Y777-H781 PolarHBondContact O-N 2.8Å
778	F	83.9	Confident	83.4	Confident	18 Å²	18	58.4 Å²	58.4	8%	0.079	28%	0.281	C	S	.	.	H	α-helix	trans	-64.3	-28.4	-174.4	61.4	-84.6	0	0	0	113.8	F602 S606 L609 L610 E775 N776 S782	F602-F778 HydrophobicContact CE1-CE1 4.42Å; F602-F778 HydrophobicContact CE1-CZ 4.35Å; F602-F778 HydrophobicContact CE2-CE1 4.36Å; F602-F778 HydrophobicContact CE2-CE2 4.11Å; F602-F778 AromaticContact CE2-CZ 3.58Å; F602-F778 HydrophobicContact CE2-CZ 3.58Å; F602-F778 AromaticContact CZ-CE1 3.63Å; F602-F778 HydrophobicContact CZ-CE1 3.63Å; F602-F778 HydrophobicContact CZ-CE2 4.09Å; F602-F778 AromaticContact CZ-CZ 3.3Å; F602-F778 HydrophobicContact CZ-CZ 3.3Å; S606-F778 WeakPolarHBondContact OG-CD2 3.22Å; L609-F778 WeakPolarHBondContact CD2-O 3.22Å; L610-F778 HydrophobicContact CD1-CB 3.34Å; E775-F778 WeakPolarHBondContact O-CE1 3.47Å; N776-F778 VanDerWaalsContact C-N 3.29Å; N776-F778 PolarHBondContact O-N 3.03Å; F778-S782 VanDerWaalsContact O-CB 3.27Å; F778-S782 WeakPolarHBondContact O-CB 3.04Å; F778-S782 PolarHBondContact O-OG 2.8Å
779	Y	87.6	Confident	83.8	Confident	105 Å²	105	55.3 Å²	55.3	41%	0.412	27%	0.269	S	S	.	.	H	α-helix	trans	-79.4	-54.4	173.5	-65.2	-66.3	0	0	0	111.9	L609 N776 Y777 S782 I783	L609-Y779 HydrophobicContact CD1-CD1 4.48Å; L609-Y779 HydrophobicContact CD2-CD1 4.35Å; N776-Y779 PolarHBondContact O-N 2.81Å; Y777-Y779 VanDerWaalsContact C-N 3.26Å; Y777-Y779 PolarHBondContact O-N 3.06Å; Y779-S782 PolarHBondContact O-N 3.26Å; Y779-I783 WeakPolarHBondContact O-CG1 3.33Å; Y779-I783 PolarHBondContact O-N 3.02Å
780	I	88.4	Confident	84.4	Confident	23 Å²	23	54.8 Å²	54.8	12%	0.118	27%	0.266	C	S	.	.	H	α-helix	trans	-67.2	-42.7	-172.8	-61.8	-58	0	0	0	110.8	L767 V771 E772 N776 Y777 S782 I783 W784	L767-I780 HydrophobicContact CB-CG2 4.37Å; V771-I780 HydrophobicContact CG1-CD1 3.95Å; V771-I780 HydrophobicContact CG1-CG1 4.32Å; E772-I780 HydrophobicContact CB-CG2 4.06Å; E772-I780 HydrophobicContact CG-CG2 4.42Å; N776-I780 HydrophobicContact CB-CG1 4.15Å; N776-I780 PolarHBondContact O-N 2.69Å; Y777-I780 PolarHBondContact O-N 3.14Å; I780-S782 VanDerWaalsContact C-N 3.33Å; I780-S782 PolarHBondContact O-N 3.37Å; I780-I783 PolarHBondContact O-N 2.84Å; I780-W784 WeakPolarHBondContact O-CB 3.46Å; I780-W784 PolarHBondContact O-N 3.07Å
781	H	88.1	Confident	85	Confident	16 Å²	16	46.8 Å²	46.8	7%	0.074	23%	0.232	C	C	.	.	H	α-helix	trans	-66.6	-35.6	179.4	-159.2	79.7	0	0	0	112	H647 E772 Y777 W784 H785	H647-H781 AromaticContact CE1-CD2 3.65Å; H647-H781 AromaticContact CE1-NE2 3.55Å; H647-H781 AromaticContact NE2-CD2 3.69Å; H647-H781 AromaticContact NE2-NE2 3.59Å; E772-H781 IonicContact OE1-ND1 3.41Å; E772-H781 PolarHBondContact OE1-ND1 3.48Å; E772-H781 IonicContact OE2-ND1 3.51Å; Y777-H781 HydrophobicContact CD2-CB 3.9Å; Y777-H781 HydrophobicContact CE2-CB 3.84Å; Y777-H781 AromaticContact CE2-CG 3.63Å; Y777-H781 AromaticContact CE2-ND1 3.77Å; Y777-H781 WeakPolarHBondContact O-CA 3.31Å; Y777-H781 WeakPolarHBondContact O-CB 3.33Å; Y777-H781 PolarHBondContact O-N 2.8Å; H781-W784 VanDerWaalsContact O-CB 3.32Å; H781-W784 WeakPolarHBondContact O-CB 3.33Å; H781-W784 PolarHBondContact O-N 3Å; H781-H785 AromaticContact CD2-CD2 3.73Å; H781-H785 AromaticContact CD2-NE2 3.27Å; H781-H785 PolarHBondContact CD2-NE2 3.03Å; H781-H785 VanDerWaalsContact CD2-NE2 3.27Å; H781-H785 AromaticContact NE2-CE1 3.86Å; H781-H785 AromaticContact NE2-NE2 3.31Å; H781-H785 PolarHBondContact NE2-NE2 3.11Å; H781-H785 PolarHBondContact O-CD2 3.48Å; H781-H785 PolarHBondContact O-N 3.29Å
782	S	92.6	Very high	85.5	Confident	3 Å²	3	44 Å²	44	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-69.9	-38.3	174.3	-60.7	0	0	0	0	112.5	L609 L610 S613 F778 Y779 I780 W784 H785 M786	L609-S782 VanDerWaalsContact CD2-OG 3.29Å; L609-S782 WeakPolarHBondContact CD2-OG 3.3Å; L609-S782 PolarHBondContact O-OG 2.7Å; L610-S782 VanDerWaalsContact CA-OG 3.31Å; L610-S782 WeakPolarHBondContact CA-OG 3.41Å; L610-S782 PolarHBondContact N-OG 3.36Å; S613-S782 WeakPolarHBondContact CB-O 3.33Å; F778-S782 VanDerWaalsContact O-CB 3.27Å; F778-S782 WeakPolarHBondContact O-CB 3.04Å; F778-S782 PolarHBondContact O-OG 2.8Å; Y779-S782 PolarHBondContact O-N 3.26Å; I780-S782 VanDerWaalsContact C-N 3.33Å; I780-S782 PolarHBondContact O-N 3.37Å; S782-W784 VanDerWaalsContact C-N 3.28Å; S782-W784 PolarHBondContact O-N 3.37Å; S782-H785 PolarHBondContact O-N 2.87Å; S782-M786 WeakPolarHBondContact O-CG 3.34Å; S782-M786 PolarHBondContact O-N 2.82Å
783	I	91.7	Very high	86	Confident	78 Å²	78	42.9 Å²	42.9	40%	0.4	21%	0.214	S	C	.	.	H	α-helix	trans	-62.7	-40.3	171.5	-68.1	165.1	0	0	0	110	L767 Y779 I780 H785 M786 L787	L767-I783 HydrophobicContact CD1-CG2 3.99Å; Y779-I783 WeakPolarHBondContact O-CG1 3.33Å; Y779-I783 PolarHBondContact O-N 3.02Å; I780-I783 PolarHBondContact O-N 2.84Å; I783-H785 PolarHBondContact O-N 2.9Å; I783-M786 PolarHBondContact O-N 2.96Å; I783-L787 HydrophobicContact CG2-CD1 3.78Å; I783-L787 HydrophobicContact CG2-CG 4.16Å; I783-L787 VanDerWaalsContact O-CG 3.3Å; I783-L787 WeakPolarHBondContact O-CG 3.47Å; I783-L787 PolarHBondContact O-N 2.82Å
784	W	89.8	Confident	86.7	Confident	37 Å²	37	44.5 Å²	44.5	14%	0.14	22%	0.216	C	C	.	.	H	α-helix	trans	-57.3	-47.5	175.6	177.8	89.9	0	0	0	112.2	A764 I780 H781 S782 M786 L787 I788	A764-W784 VanDerWaalsContact O-CD1 3.23Å; I780-W784 WeakPolarHBondContact O-CB 3.46Å; I780-W784 PolarHBondContact O-N 3.07Å; H781-W784 VanDerWaalsContact O-CB 3.32Å; H781-W784 WeakPolarHBondContact O-CB 3.33Å; H781-W784 PolarHBondContact O-N 3Å; S782-W784 VanDerWaalsContact C-N 3.28Å; S782-W784 PolarHBondContact O-N 3.37Å; W784-M786 VanDerWaalsContact C-N 3.34Å; W784-M786 PolarHBondContact O-N 2.72Å; W784-L787 PolarHBondContact O-N 3.35Å; W784-I788 HydrophobicContact CD2-CG1 4.1Å; W784-I788 HydrophobicContact CH2-CG1 4.44Å; W784-I788 HydrophobicContact CZ2-CG1 3.82Å; W784-I788 PolarHBondContact O-N 3.38Å
785	H	91.1	Very high	87.5	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-54.9	-48.2	174.6	-77.1	-55.6	0	0	0	112.2	S643 H647 H781 S782 I783 L787 A789	S643-H785 PolarHBondContact OG-CE1 3.15Å; H647-H785 AromaticContact CD2-NE2 3.6Å; H647-H785 AromaticContact CE1-NE2 3.97Å; H647-H785 AromaticContact NE2-CD2 3.99Å; H647-H785 AromaticContact NE2-CE1 3.63Å; H647-H785 AromaticContact NE2-NE2 2.9Å; H647-H785 PolarHBondContact NE2-NE2 3.31Å; H781-H785 AromaticContact CD2-CD2 3.73Å; H781-H785 AromaticContact CD2-NE2 3.27Å; H781-H785 PolarHBondContact CD2-NE2 3.03Å; H781-H785 VanDerWaalsContact CD2-NE2 3.27Å; H781-H785 AromaticContact NE2-CE1 3.86Å; H781-H785 AromaticContact NE2-NE2 3.31Å; H781-H785 PolarHBondContact NE2-NE2 3.11Å; H781-H785 PolarHBondContact O-CD2 3.48Å; H781-H785 PolarHBondContact O-N 3.29Å; S782-H785 PolarHBondContact O-N 2.87Å; I783-H785 PolarHBondContact O-N 2.9Å; H785-L787 VanDerWaalsContact C-N 3.35Å; H785-L787 PolarHBondContact O-N 2.86Å; H785-A789 VanDerWaalsContact O-CB 3.25Å; H785-A789 WeakPolarHBondContact O-CB 3.33Å; H785-A789 PolarHBondContact O-N 3.1Å
786	M	92.3	Very high	88.3	Confident	89 Å²	89	32.5 Å²	32.5	44%	0.438	16%	0.161	S	C	.	.	H	α-helix	trans	-62.4	-41.3	179.4	-61.6	-169	79	0	0	112.2	M616 S782 I783 W784 G790	M616-M786 HydrophobicContact CE-CE 4.33Å; M616-M786 HydrophobicContact CG-CB 4.06Å; M616-M786 HydrophobicContact CG-CE 3.61Å; M616-M786 HydrophobicContact CG-CG 3.73Å; M616-M786 HydrophobicContact SD-CE 3.69Å; S782-M786 WeakPolarHBondContact O-CG 3.34Å; S782-M786 PolarHBondContact O-N 2.82Å; I783-M786 PolarHBondContact O-N 2.96Å; W784-M786 VanDerWaalsContact C-N 3.34Å; W784-M786 PolarHBondContact O-N 2.72Å; M786-G790 PolarHBondContact O-N 2.93Å
787	L	92.4	Very high	88.1	Confident	45 Å²	45	30.7 Å²	30.7	24%	0.236	15%	0.151	C	C	.	.	H	α-helix	trans	-71	-46.6	-179.4	-67.2	172.9	0	0	0	111.9	I760 A764 L767 I783 W784 H785 G790 S791	I760-L787 HydrophobicContact CG2-CB 3.98Å; I760-L787 HydrophobicContact CG2-CD2 3.92Å; I760-L787 WeakPolarHBondContact CG2-O 3.42Å; A764-L787 HydrophobicContact CB-CB 3.71Å; A764-L787 HydrophobicContact CB-CD1 4.28Å; L767-L787 HydrophobicContact CD1-CD1 3.52Å; I783-L787 HydrophobicContact CG2-CD1 3.78Å; I783-L787 HydrophobicContact CG2-CG 4.16Å; I783-L787 VanDerWaalsContact O-CG 3.3Å; I783-L787 WeakPolarHBondContact O-CG 3.47Å; I783-L787 PolarHBondContact O-N 2.82Å; W784-L787 PolarHBondContact O-N 3.35Å; H785-L787 VanDerWaalsContact C-N 3.35Å; H785-L787 PolarHBondContact O-N 2.86Å; L787-G790 PolarHBondContact O-N 2.84Å; L787-S791 WeakPolarHBondContact O-CB 3.41Å; L787-S791 PolarHBondContact O-N 2.81Å
788	I	90.3	Very high	87.5	Confident	16 Å²	16	31.6 Å²	31.6	8%	0.082	16%	0.163	C	C	.	.	H	α-helix	trans	-62.3	-51.1	178.1	-73.5	-62.5	0	0	0	110.5	A764 W784 G790 S791 V792	A764-I788 HydrophobicContact CB-CD1 3.64Å; A764-I788 HydrophobicContact CB-CG1 3.78Å; W784-I788 HydrophobicContact CD2-CG1 4.1Å; W784-I788 HydrophobicContact CH2-CG1 4.44Å; W784-I788 HydrophobicContact CZ2-CG1 3.82Å; W784-I788 PolarHBondContact O-N 3.38Å; I788-G790 VanDerWaalsContact C-N 3.31Å; I788-G790 PolarHBondContact O-N 3.34Å; I788-S791 PolarHBondContact O-N 2.8Å; I788-S791 VanDerWaalsContact O-N 3.14Å; I788-S791 PolarHBondContact O-OG 3.17Å; I788-V792 WeakPolarHBondContact O-CG2 3.37Å; I788-V792 PolarHBondContact O-N 3.27Å; I788-V792 VanDerWaalsContact O-N 3.13Å
789	A	90.7	Very high	86.7	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.1	-42.9	178.3	0	0	0	0	0	111.6	M616 F617 P620 H785 S791 V792 G793	M616-A789 HydrophobicContact CB-CB 3.93Å; M616-A789 WeakPolarHBondContact O-CB 3.48Å; F617-A789 HydrophobicContact CD1-CB 3.92Å; F617-A789 HydrophobicContact CD2-CB 3.86Å; F617-A789 HydrophobicContact CE1-CB 3.97Å; F617-A789 HydrophobicContact CE2-CB 3.91Å; F617-A789 HydrophobicContact CG-CB 3.87Å; F617-A789 HydrophobicContact CZ-CB 3.96Å; P620-A789 WeakPolarHBondContact CG-O 3.27Å; H785-A789 VanDerWaalsContact O-CB 3.25Å; H785-A789 WeakPolarHBondContact O-CB 3.33Å; H785-A789 PolarHBondContact O-N 3.1Å; A789-S791 PolarHBondContact O-N 3.1Å; A789-V792 PolarHBondContact O-N 2.7Å; A789-G793 PolarHBondContact O-N 3.21Å
790	G	90	Very high	85.2	Confident	20 Å²	20	35.9 Å²	35.9	21%	0.206	19%	0.193	C	C	.	.	H	α-helix	trans	-58.3	-44.3	174.2	0	0	0	0	0	112.8	M786 L787 I788 V792 G793 F794	M786-G790 PolarHBondContact O-N 2.93Å; L787-G790 PolarHBondContact O-N 2.84Å; I788-G790 VanDerWaalsContact C-N 3.31Å; I788-G790 PolarHBondContact O-N 3.34Å; G790-V792 PolarHBondContact O-N 3.19Å; G790-G793 PolarHBondContact O-N 2.04Å; G790-F794 VanDerWaalsContact O-CD2 3.25Å; G790-F794 WeakPolarHBondContact O-CD2 3.49Å; G790-F794 PolarHBondContact O-N 2.86Å
791	S	91	Very high	83.1	Confident	5 Å²	5	43.9 Å²	43.9	4%	0.035	23%	0.226	C	C	.	.	H	α-helix	trans	-61.6	-41.8	179.4	77.1	0	0	0	0	112.5	L787 I788 A789 G793 F794 L795	L787-S791 WeakPolarHBondContact O-CB 3.41Å; L787-S791 PolarHBondContact O-N 2.81Å; I788-S791 PolarHBondContact O-N 2.8Å; I788-S791 VanDerWaalsContact O-N 3.14Å; I788-S791 PolarHBondContact O-OG 3.17Å; A789-S791 PolarHBondContact O-N 3.1Å; S791-G793 VanDerWaalsContact C-N 3.28Å; S791-G793 PolarHBondContact O-N 2.83Å; S791-F794 PolarHBondContact O-N 2.91Å; S791-F794 VanDerWaalsContact O-N 3.14Å; S791-L795 WeakPolarHBondContact O-CB 2.95Å; S791-L795 VanDerWaalsContact O-CG 3.24Å; S791-L795 WeakPolarHBondContact O-CG 3.1Å; S791-L795 PolarHBondContact O-N 3.16Å
792	V	89.1	Confident	80.9	Confident	4 Å²	4	48.4 Å²	48.4	2%	0.024	26%	0.257	C	S	.	.	H	α-helix	trans	-59.2	-41.2	177.9	171.9	0	0	0	0	110.9	P620 Y636 T680 I788 A789 G790 F794 L795 L796	P620-V792 HydrophobicContact CB-CG1 4.17Å; Y636-V792 HydrophobicContact CD1-CG1 4.46Å; Y636-V792 HydrophobicContact CE1-CG1 3.72Å; Y636-V792 HydrophobicContact CE2-CG1 3.89Å; Y636-V792 VanDerWaalsContact CZ-CG1 3.4Å; Y636-V792 WeakPolarHBondContact OH-CG1 3.45Å; T680-V792 HydrophobicContact CG2-CG1 4.16Å; T680-V792 HydrophobicContact CG2-CG2 4.48Å; I788-V792 WeakPolarHBondContact O-CG2 3.37Å; I788-V792 PolarHBondContact O-N 3.27Å; I788-V792 VanDerWaalsContact O-N 3.13Å; A789-V792 PolarHBondContact O-N 2.7Å; G790-V792 PolarHBondContact O-N 3.19Å; V792-F794 VanDerWaalsContact C-N 3.32Å; V792-F794 PolarHBondContact O-N 3.36Å; V792-L795 PolarHBondContact O-N 2.74Å; V792-L796 HydrophobicContact CG1-CD1 4.02Å; V792-L796 WeakPolarHBondContact O-CD1 3.04Å; V792-L796 PolarHBondContact O-N 2.94Å; V792-L796 VanDerWaalsContact O-N 3.1Å
793	G	84.2	Confident	78.3	Confident	15 Å²	15	56 Å²	56	16%	0.155	30%	0.297	C	S	.	.	H	α-helix	trans	-58.3	-39.4	176.7	0	0	0	0	0	113.8	A789 G790 S791	A789-G793 PolarHBondContact O-N 3.21Å; G790-G793 PolarHBondContact O-N 2.04Å; S791-G793 VanDerWaalsContact C-N 3.28Å; S791-G793 PolarHBondContact O-N 2.83Å
794	F	85.9	Confident	75.6	Confident	90 Å²	90	56.5 Å²	56.5	40%	0.395	31%	0.313	S	S	.	.	H	α-helix	trans	-78.7	-33.3	177.2	-72.8	-74.3	0	0	0	113.5	I760 G790 S791 V792	I760-F794 HydrophobicContact CD1-CD2 4.04Å; I760-F794 HydrophobicContact CD1-CE2 4.01Å; G790-F794 VanDerWaalsContact O-CD2 3.25Å; G790-F794 WeakPolarHBondContact O-CD2 3.49Å; G790-F794 PolarHBondContact O-N 2.86Å; S791-F794 PolarHBondContact O-N 2.91Å; S791-F794 VanDerWaalsContact O-N 3.14Å; V792-F794 VanDerWaalsContact C-N 3.32Å; V792-F794 PolarHBondContact O-N 3.36Å
795	L	86.2	Confident	73.2	Confident	19 Å²	19	64.5 Å²	64.5	10%	0.099	35%	0.349	C	S	.	.	H	α-helix	trans	-78.9	-23.1	-174.9	-69.8	174	0	0	0	113	T680 M684 L754 S791 V792 P797	T680-L795 HydrophobicContact CG2-CB 4.12Å; M684-L795 HydrophobicContact CE-CB 4.26Å; M684-L795 HydrophobicContact CE-CD1 4.32Å; M684-L795 HydrophobicContact CE-CD2 4.42Å; M684-L795 WeakPolarHBondContact CG-O 3.33Å; M684-L795 HydrophobicContact SD-CB 3.73Å; M684-L795 HydrophobicContact SD-CD2 3.9Å; M684-L795 HydrophobicContact SD-CG 4.28Å; L754-L795 HydrophobicContact CD2-CD2 4.14Å; S791-L795 WeakPolarHBondContact O-CB 2.95Å; S791-L795 VanDerWaalsContact O-CG 3.24Å; S791-L795 WeakPolarHBondContact O-CG 3.1Å; S791-L795 PolarHBondContact O-N 3.16Å; V792-L795 PolarHBondContact O-N 2.74Å; L795-P797 WeakPolarHBondContact O-CD 3.38Å
796	L	83.8	Confident	70.6	Confident	11 Å²	11	70.9 Å²	70.9	6%	0.058	39%	0.388	C	S	.	.	S	Bend	trans	-56.7	121.6	177.4	-90.9	150.7	0	0	0	112.1	I623 A624 Y629 Y636 V792	I623-L796 HydrophobicContact CG2-CB 4.47Å; A624-L796 HydrophobicContact CB-CD1 4.45Å; Y629-L796 HydrophobicContact CD2-CD2 4.12Å; Y629-L796 HydrophobicContact CG-CD2 4.49Å; Y636-L796 HydrophobicContact CE2-CD1 3.91Å; V792-L796 HydrophobicContact CG1-CD1 4.02Å; V792-L796 WeakPolarHBondContact O-CD1 3.04Å; V792-L796 PolarHBondContact O-N 2.94Å; V792-L796 VanDerWaalsContact O-N 3.1Å
797	P	78.4	Confident	67.9	Low	1 Å²	1	72.3 Å²	72.3	1%	0.006	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-69.1	128.2	-178.3	22.4	-29.9	0	0	0	111.6	Y629 R749 L795	Y629-P797 HydrophobicContact CE2-CG 4.48Å; Y629-P797 WeakPolarHBondContact CE2-O 3.04Å; Y629-P797 PolarHBondContact OH-O 2.86Å; R749-P797 VanDerWaalsContact NH2-CB 3.3Å; L795-P797 WeakPolarHBondContact O-CD 3.38Å
798	P	69.8	Low	65.3	Low	68 Å²	68	76.2 Å²	76.2	44%	0.442	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-60.9	147.4	174.3	24.4	-32.8	0	0	0	110.6	R686 A800	R686-P798 PolarHBondContact NH2-O 2.81Å; P798-A800 PolarHBondContact O-N 3.24Å
799	R	66.6	Low	62.9	Low	145 Å²	145	83.3 Å²	83.3	55%	0.547	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-53	134.8	177.8	-162	177.9	-177.7	168	7.9	109.4	H628 K801	H628-R799 PolarHBondContact CD2-NH1 3.09Å; H628-R799 PolarHBondContact NE2-NH1 3.29Å; R799-K801 PolarHBondContact O-N 3.29Å; R799-K801 VanDerWaalsContact O-N 3.14Å
800	A	56.3	Low	60.4	Low	68 Å²	68	93.3 Å²	93.3	56%	0.562	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-58.5	121.1	166.8	0	0	0	0	0	106.8	P798	P798-A800 PolarHBondContact O-N 3.24Å
801	K	45.3	Very low	57.8	Low	191 Å²	191	101.6 Å²	101.6	83%	0.83	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-55.7	129.8	172.2	-72	-175.1	177.1	-177.1	0	106.2	R799 D803	R799-K801 PolarHBondContact O-N 3.29Å; R799-K801 VanDerWaalsContact O-N 3.14Å; K801-D803 PolarHBondContact O-N 3.05Å
802	P	41.5	Very low	55.4	Low	111 Å²	111	110.8 Å²	110.8	72%	0.721	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-55.1	131.2	162.6	23.9	-29.2	0	0	0	105.8	A804	P802-A804 PolarHBondContact O-N 3.21Å
803	D	37.1	Very low	53.2	Low	162 Å²	162	122.9 Å²	122.9	87%	0.866	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-47.3	120.2	178.1	-79.2	-40.7	0	0	0	107.7	K801 K805	K801-D803 PolarHBondContact O-N 3.05Å; D803-K805 PolarHBondContact O-N 3.37Å
804	A	36.2	Very low	50.9	Low	89 Å²	89	125 Å²	125	74%	0.736	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-52.1	121.6	-179.4	0	0	0	0	0	106.3	P802 V806	P802-A804 PolarHBondContact O-N 3.21Å; A804-V806 PolarHBondContact O-N 3.05Å
805	K	38.2	Very low	48.7	Very low	204 Å²	204	127.7 Å²	127.7	89%	0.887	67%	0.67	S	S	*	*			trans	-39.8	110.8	172.8	-78.4	-177.8	176.1	-178.6	0	107.2	D803 T807	D803-K805 PolarHBondContact O-N 3.37Å; K805-T807 PolarHBondContact O-N 2.94Å
806	V	37.4	Very low	46.4	Very low	135 Å²	135	128.5 Å²	128.5	82%	0.818	68%	0.683	S	S	*	*			trans	-52.3	111.5	173.7	175.7	0	0	0	0	105.3	A804	A804-V806 PolarHBondContact O-N 3.05Å
807	T	36.4	Very low	44	Very low	119 Å²	119	139 Å²	139	73%	0.73	72%	0.724	S	S	*	*			trans	-54.9	127.3	169.2	31.7	0	0	0	0	106.7	K805 L809	K805-T807 PolarHBondContact O-N 2.94Å; T807-L809 PolarHBondContact O-N 3.17Å
808	P	37.2	Very low	41.9	Very low	128 Å²	128	146.8 Å²	146.8	83%	0.831	76%	0.76	S	S	*	*			trans	-69.4	103.5	178.4	27.4	-29.2	0	0	0	107	K810	P808-K810 PolarHBondContact O-N 2.81Å
809	L	39.3	Very low	40.3	Very low	164 Å²	164	151.2 Å²	151.2	86%	0.859	78%	0.779	S	S	*	*			trans	-57.1	127.9	168.2	-165.1	73.6	0	0	0	107.6	T807 R811	T807-L809 PolarHBondContact O-N 3.17Å; L809-R811 PolarHBondContact O-N 3.34Å
810	K	39.4	Very low	38.7	Very low	210 Å²	210	149.7 Å²	149.7	91%	0.913	79%	0.789	S	S	*	*			trans	-47.1	110	176.7	-83.4	-178.4	174.4	178.3	0	110.1	P808 K812	P808-K810 PolarHBondContact O-N 2.81Å; K810-K812 PolarHBondContact O-N 2.91Å
811	R	35.5	Very low	37.5	Very low	195 Å²	195	152.6 Å²	152.6	74%	0.736	80%	0.8	S	S	*	*			trans	-81.1	108.1	177.7	-150.7	173.5	-173.4	172.5	2.9	109.1	L809	L809-R811 PolarHBondContact O-N 3.34Å
812	K	39.1	Very low	36.7	Very low	197 Å²	197	150.3 Å²	150.3	86%	0.857	80%	0.797	S	S	*	*			trans	-63.2	141.8	155.4	-95.1	-176.9	175	-179.2	0	108.3	K810	K810-K812 PolarHBondContact O-N 2.91Å
813	R	43.3	Very low	36.5	Very low	259 Å²	259	153.6 Å²	153.6	98%	0.977	80%	0.803	S	S	*	*	S	Bend	trans	-42.4	135.1	179.2	-74.3	174.1	171.8	171.4	-4.2	113.1
814	G	35.2	Very low	36.4	Very low	59 Å²	59	154 Å²	154	61%	0.608	80%	0.799	S	S	*	*			trans	164.7	114.6	166.5	0	0	0	0	0	111.6
815	C	41.6	Very low	36.2	Very low	146 Å²	146	158.7 Å²	158.7	99%	0.986	81%	0.806	S	S	*	*			trans	-67	147.6	175.3	-70.9	0	0	0	0	111.6
816	G	36.3	Very low	36	Very low	37 Å²	37	154 Å²	154	38%	0.381	79%	0.787	S	S	.	*			trans	151.7	96.7	166.4	0	0	0	0	0	114.2
817	Y	34.6	Very low	35.7	Very low	231 Å²	231	156 Å²	156	91%	0.906	79%	0.792	S	S	*	*			trans	41.5	119.1	156.2	40.5	-90.1	0	0	0	120.3
818	Q	33.6	Very low	35.5	Very low	164 Å²	164	154 Å²	154	77%	0.766	80%	0.795	S	S	*	*			trans	-99.6	110.2	170.1	-169.1	149.8	-21.9	0	0	109.5	C820	Q818-C820 PolarHBondContact O-N 3.29Å
819	L	36.6	Very low	35.1	Very low	161 Å²	161	155.5 Å²	155.5	84%	0.843	80%	0.795	S	S	*	*			trans	-69.2	110.2	170.3	-151.8	87.9	0	0	0	107.9	V821	L819-V821 PolarHBondContact O-N 3.27Å
820	C	32.8	Very low	34.7	Very low	113 Å²	113	154.2 Å²	154.2	76%	0.764	79%	0.794	S	S	*	*			trans	-76.8	105.8	170.9	-68.9	0	0	0	0	108.4	Q818 N822	Q818-C820 PolarHBondContact O-N 3.29Å; C820-N822 PolarHBondContact O-N 3.47Å
821	V	31.9	Very low	34.2	Very low	129 Å²	129	150.8 Å²	150.8	78%	0.782	79%	0.786	S	S	*	*			trans	-73.8	113.2	162.6	175.9	0	0	0	0	106.3	L819 E823	L819-V821 PolarHBondContact O-N 3.27Å; V821-E823 PolarHBondContact O-N 3.1Å
822	N	27.9	Very low	34.6	Very low	144 Å²	144	147.1 Å²	147.1	77%	0.77	79%	0.787	S	S	*	*			trans	-71.1	104.9	-175.9	-148.4	10.5	0	0	0	109.5	C820 H824	C820-N822 PolarHBondContact O-N 3.47Å; N822-H824 PolarHBondContact O-N 3.39Å
823	E	37.8	Very low	34.2	Very low	180 Å²	180	140.9 Å²	140.9	84%	0.841	78%	0.778	S	S	*	*			trans	-82.8	80.4	162.8	-79.3	-159.9	151.6	0	0	108.8	V821	V821-E823 PolarHBondContact O-N 3.1Å
824	H	35.2	Very low	33.6	Very low	169 Å²	169	136.5 Å²	136.5	78%	0.782	77%	0.773	S	S	*	*			trans	-164.3	85.6	159.9	-100.5	-68	0	0	0	110.1	N822	N822-H824 PolarHBondContact O-N 3.39Å
825	E	32	Very low	33.8	Very low	189 Å²	189	140.8 Å²	140.8	88%	0.883	78%	0.78	S	S	*	*			trans	-140.9	74.8	159.9	-87.1	-166	163.2	0	0	109.6
826	E	32.5	Very low	33.1	Very low	104 Å²	104	140.3 Å²	140.3	49%	0.486	77%	0.773	S	S	.	*			trans	-155.5	89.2	146.3	-74	-153.7	175.2	0	0	109.5	K688	K688-E826 WeakPolarHBondContact CD-OE1 3.34Å; K688-E826 WeakPolarHBondContact CE-OE1 3.45Å; K688-E826 VanDerWaalsContact CG-OE1 3.3Å; K688-E826 WeakPolarHBondContact CG-OE1 3.26Å; K688-E826 VanDerWaalsContact NZ-CD 3.31Å; K688-E826 IonicContact NZ-OE1 2.69Å; K688-E826 PolarHBondContact NZ-OE1 2.8Å
827	L	32.3	Very low	33.3	Very low	179 Å²	179	145.4 Å²	145.4	94%	0.937	79%	0.79	S	S	*	*	S	Bend	trans	-161	135	144.3	-98.1	144.7	0	0	0	107
828	G	30.8	Very low	33.1	Very low	77 Å²	77	141.7 Å²	141.7	79%	0.794	79%	0.786	S	S	*	*			trans	-64.5	162.4	-154.4	0	0	0	0	0	116.9
829	L	30	Very low	33	Very low	158 Å²	158	138.3 Å²	138.3	83%	0.827	78%	0.78	S	S	*	*			trans	-131.3	120.6	167.5	-99.2	159	0	0	0	109.2
830	V	29.9	Very low	32.8	Very low	137 Å²	137	137.9 Å²	137.9	83%	0.83	78%	0.777	S	S	*	*			trans	-122	104.2	142.4	174.9	0	0	0	0	105.8
831	D	29.7	Very low	32.7	Very low	138 Å²	138	138.5 Å²	138.5	74%	0.738	78%	0.781	S	S	*	*			trans	74.8	154.5	145.8	-79.8	-5.5	0	0	0	124.1
832	P	43	Very low	32.7	Very low	119 Å²	119	138.5 Å²	138.5	77%	0.773	78%	0.782	S	S	*	*				-116.8	166.6	-123	42.3	-36.2	0	0	0	114.8
833	G	32	Very low	33.1	Very low	65 Å²	65	141 Å²	141	67%	0.67	81%	0.811	S	S	*	*			trans	120.5	106.3	154.5	0	0	0	0	0	113.7
834	I	30.1	Very low	32.9	Very low	168 Å²	168	139.1 Å²	139.1	86%	0.862	81%	0.809	S	S	*	*				166.7	126.3	123.1	-81.4	154.6	0	0	0	107.8
835	I	38.9	Very low	32.8	Very low	149 Å²	149	137.5 Å²	137.5	76%	0.764	81%	0.811	S	S	*	*			trans	-69.5	131.4	175.3	-64.8	158.7	0	0	0	109
836	T	27.3	Very low	32.8	Very low	135 Å²	135	134.7 Å²	134.7	83%	0.828	81%	0.807	S	S	*	*			trans	-151.4	120.7	144.2	42.7	0	0	0	0	111.1
837	I	41	Very low	32.8	Very low	144 Å²	144	136.5 Å²	136.5	74%	0.738	83%	0.826	S	S	*	*			trans	-71.1	140.8	166.3	-66.8	162	0	0	0	109
838	N	28.7	Very low	32.8	Very low	154 Å²	154	133.8 Å²	133.8	82%	0.824	82%	0.819	S	S	*	*			trans	160.6	141.2	149.8	-81.4	-16.1	0	0	0	107.4
839	S	31.8	Very low	33	Very low	92 Å²	92	137.6 Å²	137.6	64%	0.643	82%	0.82	S	S	*	*			cis	-174.5	139.8	-2.9	51.6	0	0	0	0	107
840	I	32.8	Very low	33.2	Very low	153 Å²	153	136.1 Å²	136.1	79%	0.785	82%	0.82	S	S	*	*			trans	57.6	117.2	134.1	-56.3	168.1	0	0	0	118.9
841	C	31.4	Very low	33.4	Very low	125 Å²	125	136.1 Å²	136.1	85%	0.845	82%	0.819	S	S	*	*			trans	-68.6	144	161.3	-58.6	0	0	0	0	112.2
842	T	31.7	Very low	33.8	Very low	129 Å²	129	135.9 Å²	135.9	79%	0.791	83%	0.826	S	S	*	*			trans	-140.9	123	153.5	46.9	0	0	0	0	111.9
843	S	36.5	Very low	32.9	Very low	198 Å²	198	137.5 Å²	137.5	100%	1.385	83%	0.83	S	S	*	*			trans	50.5	0	163.9	75.2	0	0	0	0	120.4

Retrieved 843 of 843 residues in 1126.3 ms (Link to these results)

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