A0A096MKH3_RAT Loading...

Multiple C2 and transmembrane domain-containing protein 2

Might play a role in the development of cardiac outflow tract.

AlphaFold DB (D4A733), UniProt , Accession A0A096MKH3, Species RAT (Rattus norvegicus, Rat), Gene Mctp2, Length 872 aa.

						>A0A096MKH3_RAT|A0A096MKH3|Mctp2
MDLDKPSVWGSLKQRTRPLLINLSKKKAKKSPSKPLDLRVQHHLDRRLSLSVPDLLEAEALVPEGRPYSGPQSSYISVPNSLSTAGIVPKSSSSSLKQSEEELEWSQEEASHVPGVDTDSEEIYASPAEEWQAFSQSGLDLHKAPEEPEKTHGSDDLNASMSSQQFEEQLTLGEASDCVSHLPSPFAYLLTIHLKEGRNLVVRDRCGTSDPYVKFKLNGKTLYKSKVIYKNLNPIWDEIVVLPIQSLDQKLRVKVYDRDLTKSDFMGSAFVVLRDLELNRTTEHILKLEDPNSLEDDMGVIVLNLNLVVKQGDFKRQRWSNRKRLSASKSSLIRNLRLSESLRKNQLWNGIISITLLEGKNVSGGNMTEMFVQLKLGEQRYKSKTLCKSENPQWQEQFDFHYFSDRMGILDIEVWGKDNKKHEERLGTCKVDISALPLKQDNCLELPLESCQGALLMLITLTPCTAVSISDLCVCPLEDPSERQLISQRYALQNSLKDVKDVGILQVKVLKAADLLAADFSGKSDPFCLLELGNDRLQTHTIYKNLNPEWNKVFTFPIKDIHDVLEVTVFDEDGDKAPDFLGKVAIPLLSIRDGQPNCYVLKNKDLEQAFKGLIYLELDLIYNPVKASIRTFSPREKRFVEDSRKLSKKILSRDVDRVKRLTMAIWNTIQFFKSCFQWESTLRSTVAFVVFLVTVWNFELYMIPLAMLLLFLYNFLRPMKGKASSTQDSQDSTDIEEEEKEEEKESEKKGIIERIYMVQDIVSTVQNILEEVASFGERIKNTFNWTVPFLSLLACLILAIATVVLYFIPLRYIILLWGINKFTKKLRNPYSIDNNELLDFLSRVPSDIQKVQYAELKLCGSHSPLRKKRSTV
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33	Very low	37.9	Very low	224 Å²	224	151 Å²	151	100%	1.103	82%	0.821	S	S	*	*				0	108.6	0	-78	159	171	0	0	107.5
2	D	33.3	Very low	37.9	Very low	156 Å²	156	151.4 Å²	151.4	83%	0.834	82%	0.821	S	S	*	*			trans	72.3	74.3	132.7	-41.3	-13.3	0	0	0	116.3
3	L	36.9	Very low	38	Very low	165 Å²	165	154.6 Å²	154.6	86%	0.864	82%	0.822	S	S	*	*			trans	-61.5	176.8	146	-74.3	161.1	0	0	0	111.1
4	D	34.6	Very low	38.3	Very low	153 Å²	153	156.2 Å²	156.2	82%	0.818	82%	0.823	S	S	*	*			trans	88.2	99.1	169.1	-60	-13.4	0	0	0	118.4
5	K	41.3	Very low	38.4	Very low	206 Å²	206	161.5 Å²	161.5	90%	0.896	83%	0.827	S	S	*	*			trans	-126.4	105	149.7	-73.1	-176	178.9	177.5	0	108.4
6	P	40.9	Very low	38.5	Very low	128 Å²	128	158.8 Å²	158.8	83%	0.831	82%	0.821	S	S	*	*			trans	-71.8	145	-177.9	28.6	-34.2	0	0	0	111.9
7	S	36.8	Very low	38.1	Very low	100 Å²	100	163.5 Å²	163.5	70%	0.699	83%	0.825	S	S	*	*			trans	-82.5	163	179.1	63.8	0	0	0	0	112.8	W9	S7-W9 PolarHBondContact O-N 2.71Å
8	V	43.2	Very low	38.1	Very low	137 Å²	137	160.7 Å²	160.7	83%	0.83	82%	0.821	S	S	*	*	G	3₁₀ helix	trans	-67.8	0.6	-166.4	-178.8	0	0	0	0	114.6	G10	V8-G10 VanDerWaalsContact C-N 3.28Å; V8-G10 PolarHBondContact O-N 2.94Å
9	W	36.5	Very low	38	Very low	241 Å²	241	161.2 Å²	161.2	91%	0.913	82%	0.824	S	S	*	*	G	3₁₀ helix	trans	-75.9	-1	-177.4	-101.2	55.3	0	0	0	116.2	S7	S7-W9 PolarHBondContact O-N 2.71Å
10	G	41.2	Very low	37.9	Very low	57 Å²	57	161.8 Å²	161.8	59%	0.588	83%	0.828	S	S	*	*	G	3₁₀ helix	trans	-72	-28.7	175.7	0	0	0	0	0	115.2	V8	V8-G10 VanDerWaalsContact C-N 3.28Å; V8-G10 PolarHBondContact O-N 2.94Å
11	S	38.8	Very low	37.8	Very low	94 Å²	94	160.9 Å²	160.9	66%	0.657	82%	0.824	S	S	*	*	G	3₁₀ helix	trans	-72.7	-35.4	-165.2	-173.6	0	0	0	0	114.6	K13	S11-K13 VanDerWaalsContact C-N 3.29Å; S11-K13 PolarHBondContact O-N 2.76Å
12	L	37.9	Very low	37.9	Very low	156 Å²	156	157.6 Å²	157.6	82%	0.817	81%	0.811	S	S	*	*	G	3₁₀ helix	trans	-71.5	-18	-171.9	-104.5	157.5	0	0	0	114.4	Q14	L12-Q14 VanDerWaalsContact C-N 3.35Å; L12-Q14 PolarHBondContact O-N 2.7Å
13	K	39.5	Very low	38	Very low	193 Å²	193	158.9 Å²	158.9	84%	0.839	82%	0.817	S	S	*	*	G	3₁₀ helix	trans	-85.4	-2.3	-175.8	-147.6	170.7	-174.1	175.3	0	114.4	S11	S11-K13 VanDerWaalsContact C-N 3.29Å; S11-K13 PolarHBondContact O-N 2.76Å
14	Q	41.6	Very low	37.5	Very low	177 Å²	177	156.8 Å²	156.8	83%	0.827	82%	0.816	S	S	*	*	G	3₁₀ helix	trans	-101.5	-5.5	-178.9	-77	-171.1	-28.3	0	0	115.3	L12	L12-Q14 VanDerWaalsContact C-N 3.35Å; L12-Q14 PolarHBondContact O-N 2.7Å
15	R	40.3	Very low	37.3	Very low	236 Å²	236	159.6 Å²	159.6	89%	0.891	82%	0.821	S	S	*	*	S	Bend	trans	-97.6	3.2	-174.6	-110.8	179.4	179.4	175	0.1	116.6
16	T	39.9	Very low	36.8	Very low	118 Å²	118	160 Å²	160	72%	0.724	82%	0.822	S	S	*	*	S	Bend	trans	-130.6	66.2	-176.9	58.8	0	0	0	0	113.2
17	R	31.9	Very low	36.3	Very low	238 Å²	238	164.1 Å²	164.1	90%	0.898	83%	0.827	S	S	*	*			trans	-169.5	106	160.5	-103	157	-165.6	-151.2	2.1	108.6
18	P	38.4	Very low	35.8	Very low	114 Å²	114	164.3 Å²	164.3	74%	0.74	84%	0.835	S	S	*	*				-145.6	97.9	113.1	34.4	-17.3	0	0	0	112.8
19	L	35.3	Very low	35.2	Very low	170 Å²	170	167.7 Å²	167.7	89%	0.89	84%	0.838	S	S	*	*	S	Bend	trans	-146.3	20.8	166.1	-109.6	179.6	0	0	0	113.7
20	L	37.2	Very low	34.8	Very low	173 Å²	173	166.4 Å²	166.4	91%	0.906	84%	0.839	S	S	*	*			trans	-140	61.4	174.7	-74.2	178.6	0	0	0	111.1
21	I	36	Very low	34.1	Very low	143 Å²	143	169.1 Å²	169.1	73%	0.733	85%	0.849	S	S	*	*			trans	-121.6	90.6	165.8	-59.5	178.7	0	0	0	107.7
22	N	33.2	Very low	34.4	Very low	155 Å²	155	170.6 Å²	170.6	83%	0.829	86%	0.856	S	S	*	*	S	Bend	trans	165.7	76.5	149	-88.1	-26.3	0	0	0	110.5
23	L	35.5	Very low	33.7	Very low	183 Å²	183	168.8 Å²	168.8	96%	0.958	86%	0.857	S	S	*	*	S	Bend	trans	-171.4	55.2	157.9	-108.1	165.8	0	0	0	111.3
24	S	28.3	Very low	33.3	Very low	121 Å²	121	169.1 Å²	169.1	85%	0.846	86%	0.858	S	S	*	*			trans	-154.7	93.8	172.9	-172.3	0	0	0	0	112.8
25	K	29.8	Very low	33.5	Very low	212 Å²	212	165.6 Å²	165.6	92%	0.922	85%	0.85	S	S	*	*			trans	-153.8	125.6	153.3	-110.6	169.9	-175	177.6	0	108.7
26	K	30.3	Very low	33.1	Very low	213 Å²	213	161.2 Å²	161.2	93%	0.926	84%	0.844	S	S	*	*			trans	-80.2	160.7	-175.1	-87.3	-176.9	174.4	178.4	0	112.4
27	K	29.7	Very low	32.4	Very low	215 Å²	215	161.1 Å²	161.1	94%	0.935	84%	0.839	S	S	*	*			trans	-56.2	148.2	178.3	-58.4	174.3	179.2	177.9	0	112.9
28	A	26.5	Very low	32.5	Very low	104 Å²	104	155.5 Å²	155.5	86%	0.86	83%	0.826	S	S	*	*			trans	-129.4	145.4	155.8	0	0	0	0	0	109.3
29	K	30.8	Very low	31.9	Very low	209 Å²	209	159.6 Å²	159.6	91%	0.909	83%	0.827	S	S	*	*			trans	-88.2	142.5	-177.1	-69.3	178.6	175.9	178.7	0	111.9
30	K	27.8	Very low	31.6	Very low	214 Å²	214	156.8 Å²	156.8	93%	0.93	82%	0.817	S	S	*	*				-163.6	169.7	122.3	-107.9	169.6	-176.8	-177.7	0	111.2
31	S	28	Very low	31.2	Very low	114 Å²	114	156.7 Å²	156.7	80%	0.797	81%	0.812	S	S	*	*			trans	-120	-165.4	-162.6	65.5	0	0	0	0	111
32	P	44.2	Very low	30.9	Very low	124 Å²	124	157.7 Å²	157.7	81%	0.805	81%	0.813	S	S	*	*				-122.1	162.8	-120.2	34.2	-14.3	0	0	0	116
33	S	24.5	Very low	30.6	Very low	118 Å²	118	158.2 Å²	158.2	83%	0.825	81%	0.81	S	S	*	*			trans	-147	108.1	164.7	57.2	0	0	0	0	112.2
34	K	31.1	Very low	30.5	Very low	201 Å²	201	155.2 Å²	155.2	87%	0.874	79%	0.794	S	S	*	*			trans	-69.5	169.2	150.8	-92.7	-176.1	178	-177.3	0	108.5
35	P	44.8	Very low	30.6	Very low	102 Å²	102	156.3 Å²	156.3	66%	0.662	79%	0.791	S	S	*	*			cis	-149.3	175	31.9	45.9	-27	0	0	0	118.9
36	L	31.1	Very low	30.8	Very low	144 Å²	144	155.9 Å²	155.9	75%	0.754	78%	0.783	S	S	*	*			trans	65.4	157.7	154.1	-65.8	155.3	0	0	0	117.2
37	D	27.1	Very low	30.8	Very low	117 Å²	117	155 Å²	155	63%	0.626	77%	0.774	S	S	*	*			cis	-147.8	177.1	5.1	-139.3	-18	0	0	0	116
38	L	32.6	Very low	30.9	Very low	120 Å²	120	151.9 Å²	151.9	63%	0.628	77%	0.767	S	S	*	*			trans	-13.4	158.6	149.2	-70.4	164.5	0	0	0	118.3
39	R	27.2	Very low	31.1	Very low	199 Å²	199	151.6 Å²	151.6	75%	0.751	76%	0.758	S	S	*	*			cis	-176.1	148.1	0.5	153.6	177.9	-81.2	174.5	0.4	110.8
40	V	28.6	Very low	31.1	Very low	112 Å²	112	149.6 Å²	149.6	68%	0.679	76%	0.757	S	S	*	*			trans	24.3	131.4	146.4	-176.8	0	0	0	0	118.3
41	Q	28.1	Very low	31.3	Very low	171 Å²	171	144.8 Å²	144.8	80%	0.799	75%	0.75	S	S	*	*				-172.2	-179.5	77.4	-152.5	140.9	-25.6	0	0	116.1
42	H	30.8	Very low	31.8	Very low	164 Å²	164	145.1 Å²	145.1	76%	0.759	75%	0.747	S	S	*	*			trans	-61	177	169.2	-62.6	-103.8	0	0	0	113.2
43	H	26.8	Very low	31.7	Very low	166 Å²	166	145.4 Å²	145.4	77%	0.769	75%	0.749	S	S	*	*			cis	-161.3	-173.2	34.7	-161	-100	0	0	0	114.6
44	L	33.2	Very low	32	Very low	120 Å²	120	146.1 Å²	146.1	63%	0.628	74%	0.744	S	S	*	*			trans	-83.5	168	-167.5	-67.1	96.2	0	0	0	118
45	D	30.7	Very low	32.2	Very low	144 Å²	144	143.1 Å²	143.1	77%	0.77	74%	0.737	S	S	*	*			trans	72.8	148.2	154.4	-69.5	-10.2	0	0	0	118.1
46	R	32.4	Very low	31.7	Very low	202 Å²	202	144.7 Å²	144.7	76%	0.762	74%	0.739	S	S	*	*			cis	-169.3	146.9	42	-148.7	176.8	-168.3	-164.6	5.4	114
47	R	30.5	Very low	31.7	Very low	195 Å²	195	145.7 Å²	145.7	74%	0.736	74%	0.74	S	S	*	*			trans	44.5	134.8	145.6	-77.1	176.7	177.6	-154.6	-2.4	123.9
48	L	31.5	Very low	31.9	Very low	150 Å²	150	144 Å²	144	79%	0.785	74%	0.742	S	S	*	*			trans	56.9	147.5	130.9	-60.9	169.7	0	0	0	119.9
49	S	30.2	Very low	31.7	Very low	97 Å²	97	147.5 Å²	147.5	68%	0.678	76%	0.755	S	S	*	*			cis	-166.9	170.3	1.7	39.5	0	0	0	0	111.2
50	L	32.5	Very low	31.6	Very low	167 Å²	167	142.9 Å²	142.9	87%	0.874	76%	0.759	S	S	*	*			trans	15.3	136.9	151.5	-60.4	164.6	0	0	0	118.9
51	S	32.1	Very low	31.7	Very low	114 Å²	114	145.5 Å²	145.5	80%	0.797	77%	0.768	S	S	*	*				-170.8	-178.4	60.9	60.3	0	0	0	0	115.4
52	V	37	Very low	31.8	Very low	120 Å²	120	143 Å²	143	73%	0.727	77%	0.765	S	S	*	*			trans	-77.7	160.4	-179.6	-150.8	0	0	0	0	112.8
53	P	41.9	Very low	32.4	Very low	131 Å²	131	140.5 Å²	140.5	85%	0.851	76%	0.763	S	S	*	*				-139	179.1	107	38.2	-24.4	0	0	0	114.7
54	D	30.7	Very low	32.5	Very low	133 Å²	133	141.6 Å²	141.6	71%	0.711	77%	0.768	S	S	*	*			trans	-143.9	165.6	-152.7	-163.1	2.2	0	0	0	112.8
55	L	36.8	Very low	32.2	Very low	138 Å²	138	139.5 Å²	139.5	72%	0.723	78%	0.776	S	S	*	*			trans	66.2	161.7	175.2	-50.6	-176.4	0	0	0	116
56	L	33.5	Very low	32.1	Very low	134 Å²	134	144.5 Å²	144.5	70%	0.702	78%	0.784	S	S	*	*			cis	-158.4	-173.2	-24.5	-94.3	164.4	0	0	0	104.5
57	E	31.2	Very low	32.7	Very low	166 Å²	166	139.3 Å²	139.3	78%	0.776	78%	0.776	S	S	*	*			cis	-164.6	-174.1	3.3	-133.4	163.2	-129.3	0	0	106.6
58	A	31.3	Very low	32.6	Very low	81 Å²	81	140.3 Å²	140.3	67%	0.669	78%	0.781	S	S	*	*			cis	-156.7	148.9	-3.7	0	0	0	0	0	112.2
59	E	27.6	Very low	32.5	Very low	194 Å²	194	138.7 Å²	138.7	91%	0.907	78%	0.783	S	S	*	*			trans	32.9	127.5	134.4	-159.8	167.9	-110.7	0	0	125.5
60	A	27.1	Very low	32.4	Very low	101 Å²	101	137 Å²	137	84%	0.835	78%	0.78	S	S	*	*			trans	-164.9	168.5	153.3	0	0	0	0	0	112
61	L	28.9	Very low	32.7	Very low	168 Å²	168	135.6 Å²	135.6	88%	0.88	78%	0.781	S	S	*	*			trans	-117.1	173.5	-158.2	-81.1	165.2	0	0	0	119
62	V	30.7	Very low	32.5	Very low	119 Å²	119	139.6 Å²	139.6	72%	0.721	79%	0.787	S	S	*	*			trans	-68.3	169.2	-174.3	-134.7	0	0	0	0	115.6
63	P	43.8	Very low	31.9	Very low	110 Å²	110	139.2 Å²	139.2	71%	0.714	79%	0.79	S	S	*	*				-135.5	142.6	86	12.8	11.6	0	0	0	115.2
64	E	29.6	Very low	31.2	Very low	190 Å²	190	138 Å²	138	89%	0.888	78%	0.784	S	S	*	*				69.2	143	97	-57	-160.3	129.8	0	0	117.1
65	G	27	Very low	31	Very low	76 Å²	76	142.6 Å²	142.6	78%	0.784	79%	0.793	S	S	*	*			cis	-159.4	-168.7	9.1	0	0	0	0	0	115.9
66	R	28.5	Very low	30.5	Very low	249 Å²	249	143.9 Å²	143.9	94%	0.94	80%	0.799	S	S	*	*			trans	-103.8	-168	-168.1	-78.5	-175.6	177	-175.4	0.4	112.5
67	P	45.3	Very low	30.2	Very low	92 Å²	92	142.9 Å²	142.9	60%	0.597	80%	0.804	S	S	*	*			cis	-127.6	-174.2	-1.1	31.4	-6.5	0	0	0	113.8
68	Y	28.2	Very low	30.1	Very low	217 Å²	217	141.4 Å²	141.4	85%	0.851	81%	0.806	S	S	*	*			cis	-153.2	173.4	28.9	-86	-64.8	0	0	0	109.8
69	S	28.4	Very low	30.3	Very low	116 Å²	116	143.6 Å²	143.6	81%	0.811	81%	0.813	S	S	*	*			cis	-156.1	-95.2	-13.2	49	0	0	0	0	112.6
70	G	27.6	Very low	30.2	Very low	61 Å²	61	142 Å²	142	63%	0.629	81%	0.811	S	S	*	*			trans	163.4	-167.1	-172.1	0	0	0	0	0	111.4
71	P	38.7	Very low	30.4	Very low	137 Å²	137	142.1 Å²	142.1	89%	0.89	81%	0.806	S	S	*	*			cis	-130	-171.5	22	41.8	-25.5	0	0	0	115.8
72	Q	28.1	Very low	30.4	Very low	198 Å²	198	142 Å²	142	93%	0.925	81%	0.805	S	S	*	*			trans	-118.1	170.3	-171.2	-56.3	164.9	-78.9	0	0	113
73	S	25	Very low	30.1	Very low	112 Å²	112	141.2 Å²	141.2	78%	0.783	80%	0.804	S	S	*	*			trans	-157.4	150.4	155.5	176.9	0	0	0	0	108.5
74	S	27.2	Very low	29.3	Very low	105 Å²	105	142.1 Å²	142.1	73%	0.734	81%	0.808	S	S	*	*			cis	-165.1	151.7	-39	49.9	0	0	0	0	106.3
75	Y	26.1	Very low	29.2	Very low	230 Å²	230	137.8 Å²	137.8	90%	0.902	81%	0.805	S	S	*	*			trans	-101.3	142.7	-176.8	-80.2	-94	0	0	0	112.2
76	I	27.6	Very low	29.1	Very low	165 Å²	165	137.5 Å²	137.5	85%	0.846	80%	0.802	S	S	*	*			trans	-132.4	139.2	156.4	-62.3	-177.1	0	0	0	108.3
77	S	27.5	Very low	29	Very low	114 Å²	114	133.8 Å²	133.8	80%	0.797	80%	0.799	S	S	*	*			trans	-125.2	150.4	-177.6	53.9	0	0	0	0	111.4
78	V	28.2	Very low	28	Very low	135 Å²	135	135.7 Å²	135.7	82%	0.818	81%	0.809	S	S	*	*			trans	-139.7	139.4	176.3	-177.3	0	0	0	0	108.5
79	P	34.3	Very low	28.3	Very low	127 Å²	127	130 Å²	130	83%	0.825	80%	0.798	S	S	*	*			trans	-99.2	-174.6	-160.4	39.9	-38.4	0	0	0	115.2
80	N	27.2	Very low	28.1	Very low	160 Å²	160	133.4 Å²	133.4	86%	0.856	80%	0.799	S	S	*	*			trans	-124	129.8	-167.7	-162.4	9.4	0	0	0	111.2
81	S	29.9	Very low	27.9	Very low	104 Å²	104	135.6 Å²	135.6	73%	0.727	80%	0.804	S	S	*	*			trans	-169.8	133	163.5	43.9	0	0	0	0	117.3
82	L	29.3	Very low	27.3	Very low	165 Å²	165	134.2 Å²	134.2	86%	0.864	80%	0.798	S	S	*	*			trans	52.4	98.5	139.1	-61.2	171.4	0	0	0	122.9
83	S	25.5	Very low	27.1	Very low	102 Å²	102	129.7 Å²	129.7	71%	0.713	79%	0.788	S	S	*	*				44.8	127.2	109.1	-157.1	0	0	0	0	123.1
84	T	26.6	Very low	27	Very low	130 Å²	130	129.6 Å²	129.6	80%	0.798	79%	0.788	S	S	*	*			trans	87.6	125.6	140.5	-64.7	0	0	0	0	121.8
85	A	27.6	Very low	26.8	Very low	98 Å²	98	129.6 Å²	129.6	81%	0.81	79%	0.787	S	S	*	*			trans	65.4	106.9	153.6	0	0	0	0	0	122.1
86	G	23.5	Very low	26.7	Very low	71 Å²	71	125.7 Å²	125.7	73%	0.732	78%	0.781	S	S	*	*				117.4	160.2	115.4	0	0	0	0	0	119.4
87	I	26.8	Very low	26.4	Very low	170 Å²	170	125.9 Å²	125.9	87%	0.872	78%	0.776	S	S	*	*			trans	76.5	135.3	166.1	-53.1	177	0	0	0	117
88	V	24.8	Very low	26.3	Very low	132 Å²	132	128.1 Å²	128.1	80%	0.8	77%	0.774	S	S	*	*			trans	-124.9	133.7	177.3	169.8	0	0	0	0	103.9
89	P	35.5	Very low	26	Very low	97 Å²	97	126.3 Å²	126.3	63%	0.63	77%	0.767	S	S	*	*				-163.4	-177.7	82	46.5	-26.2	0	0	0	118.7
90	K	23.4	Very low	25.6	Very low	189 Å²	189	127.2 Å²	127.2	82%	0.822	76%	0.76	S	S	*	*			trans	67.1	137.2	159.9	-66.6	166.7	-176.5	179.8	0	117
91	S	24.1	Very low	25.5	Very low	107 Å²	107	127.4 Å²	127.4	75%	0.748	76%	0.756	S	S	*	*			cis	112.6	81.2	9	78.8	0	0	0	0	116
92	S	24.7	Very low	25.3	Very low	108 Å²	108	131 Å²	131	76%	0.755	76%	0.761	S	S	*	*			trans	-162.8	140	154	45.2	0	0	0	0	107
93	S	23.7	Very low	25.1	Very low	103 Å²	103	129.4 Å²	129.4	72%	0.72	75%	0.753	S	S	*	*			cis	82.6	132.2	28.6	81.6	0	0	0	0	114.6
94	S	23.5	Very low	25	Very low	110 Å²	110	130.4 Å²	130.4	77%	0.769	75%	0.746	S	S	*	*			trans	66	136.2	-162.6	79.4	0	0	0	0	114.2
95	S	23.8	Very low	25	Very low	104 Å²	104	133.3 Å²	133.3	73%	0.727	74%	0.743	S	S	*	*			cis	79.5	110.4	12.2	90.9	0	0	0	0	117.4
96	L	23.1	Very low	24.8	Very low	149 Å²	149	132.5 Å²	132.5	78%	0.78	73%	0.731	S	S	*	*			trans	174.8	136.3	139.5	-93.3	158.3	0	0	0	109.9
97	K	21.7	Very low	25	Very low	168 Å²	168	135.5 Å²	135.5	73%	0.73	73%	0.726	S	S	*	*			trans	37.3	131.6	135	-66.7	-174.3	-177	-169.3	0	120.7
98	Q	24.7	Very low	25	Very low	162 Å²	162	135 Å²	135	76%	0.757	72%	0.72	S	S	*	*				72.8	104.8	60.5	-80.3	-173.1	-76.2	0	0	115.2
99	S	23.3	Very low	25.1	Very low	97 Å²	97	137.5 Å²	137.5	68%	0.678	72%	0.723	S	S	*	*				-153.1	148.8	128.8	64.1	0	0	0	0	105.1
100	E	25.1	Very low	24.7	Very low	145 Å²	145	136.6 Å²	136.6	68%	0.678	72%	0.724	S	S	*	*			cis	67.1	147.9	40.8	-57.8	164.9	135.7	0	0	111.7
101	E	25.5	Very low	24.7	Very low	165 Å²	165	132.6 Å²	132.6	77%	0.771	72%	0.72	S	S	*	*			cis	-90.8	-158.5	-6.5	-68	74.8	-108.7	0	0	110.8
102	E	24.4	Very low	24.7	Very low	179 Å²	179	135.7 Å²	135.7	84%	0.836	72%	0.722	S	S	*	*			cis	-131.8	151.7	5.2	-87.6	-178.2	99	0	0	108.7
103	L	25.8	Very low	25	Very low	131 Å²	131	136.6 Å²	136.6	69%	0.686	72%	0.723	S	S	*	*				82.7	134.5	52.3	-65.8	-165.5	0	0	0	114.6
104	E	23.8	Very low	25.8	Very low	123 Å²	123	137.5 Å²	137.5	58%	0.575	73%	0.726	S	S	*	*			cis	-165.4	170	-8.1	-160.1	167.9	-144.2	0	0	105.6
105	W	25.6	Very low	25.8	Very low	191 Å²	191	135.5 Å²	135.5	72%	0.723	72%	0.723	S	S	*	*			cis	-138.9	154.3	27.7	-84.3	65.4	0	0	0	109.4	Q107	W105-Q107 VanDerWaalsContact CE3-OE1 3.27Å
106	S	24.6	Very low	25.8	Very low	81 Å²	81	137.4 Å²	137.4	57%	0.566	73%	0.73	S	S	*	*			cis	84.7	135.8	46.7	-51.3	0	0	0	0	112.3
107	Q	26.4	Very low	26	Very low	135 Å²	135	137 Å²	137	63%	0.631	73%	0.728	S	S	*	*			cis	-143.5	-171.2	13.8	-104.2	135.6	-92.8	0	0	110	W105	W105-Q107 VanDerWaalsContact CE3-OE1 3.27Å
108	E	26.6	Very low	26.3	Very low	159 Å²	159	135.8 Å²	135.8	74%	0.743	74%	0.735	S	S	*	*			cis	-146.4	-110.6	13.8	-149.7	137.3	-108.1	0	0	115.3
109	E	27.5	Very low	26.3	Very low	184 Å²	184	135.3 Å²	135.3	86%	0.86	74%	0.738	S	S	*	*			trans	-153.7	175	-154.7	-95.1	-139.8	111	0	0	111.9
110	A	27.3	Very low	26.6	Very low	78 Å²	78	136.8 Å²	136.8	65%	0.645	75%	0.748	S	S	*	*			cis	-161.8	-164.6	-13	0	0	0	0	0	107.1
111	S	22.6	Very low	26.7	Very low	105 Å²	105	138.9 Å²	138.9	73%	0.734	76%	0.758	S	S	*	*			cis	-154.8	170.4	4.2	53.5	0	0	0	0	108.4
112	H	25.8	Very low	26.8	Very low	172 Å²	172	138.8 Å²	138.8	80%	0.796	76%	0.758	S	S	*	*			cis	88.2	121.2	15	-78.5	12.6	0	0	0	116.8
113	V	30	Very low	26.9	Very low	128 Å²	128	136.4 Å²	136.4	78%	0.776	75%	0.749	S	S	*	*			cis	-126.5	-113.8	-0.9	-163.3	0	0	0	0	113.1
114	P	40.4	Very low	26.9	Very low	122 Å²	122	140.6 Å²	140.6	79%	0.792	76%	0.758	S	S	*	*			trans	-134.2	174.3	-159.4	46.2	-27	0	0	0	119.5
115	G	23.3	Very low	26.9	Very low	67 Å²	67	138.6 Å²	138.6	69%	0.691	76%	0.762	S	S	*	*				120	157.9	126	0	0	0	0	0	121.6
116	V	25.5	Very low	26.8	Very low	145 Å²	145	134.9 Å²	134.9	88%	0.879	77%	0.765	S	S	*	*			trans	80.7	146	157.4	-170.8	0	0	0	0	119.1
117	D	26.3	Very low	27.3	Very low	140 Å²	140	136.9 Å²	136.9	75%	0.749	78%	0.776	S	S	*	*			trans	-86.8	164.4	-170.1	-34.7	-102.8	0	0	0	114.6
118	T	28.2	Very low	27.2	Very low	143 Å²	143	134.2 Å²	134.2	88%	0.877	78%	0.777	S	S	*	*			trans	-167.1	152.4	134.6	7.2	0	0	0	0	112
119	D	25	Very low	27.3	Very low	151 Å²	151	135.6 Å²	135.6	81%	0.807	78%	0.783	S	S	*	*			trans	-79.4	167	-175.8	-51.7	-87.8	0	0	0	114.9
120	S	29.8	Very low	27.1	Very low	128 Å²	128	134 Å²	134	90%	0.895	78%	0.776	S	S	*	*			trans	-157.9	130.9	145.5	-77	0	0	0	0	112.8
121	E	26.9	Very low	27	Very low	189 Å²	189	138.7 Å²	138.7	88%	0.883	78%	0.777	S	S	*	*			trans	-64.4	172.6	166.4	-66.3	166.6	137.6	0	0	112.1
122	E	26.6	Very low	26.9	Very low	164 Å²	164	140.3 Å²	140.3	77%	0.766	77%	0.773	S	S	*	*			cis	-169.9	-171.9	-35.8	-157.3	-170.5	-144.5	0	0	106.1
123	I	26.2	Very low	27	Very low	128 Å²	128	136.3 Å²	136.3	66%	0.656	77%	0.769	S	S	*	*			trans	81.5	106.6	150.4	-74.2	164.2	0	0	0	121.2
124	Y	26.2	Very low	26.6	Very low	220 Å²	220	139.1 Å²	139.1	86%	0.863	77%	0.772	S	S	*	*			trans	90.1	120.8	133.8	-87.2	-120.4	0	0	0	126
125	A	24.1	Very low	26	Very low	80 Å²	80	137.5 Å²	137.5	66%	0.661	76%	0.763	S	S	*	*				88.4	105.6	128	0	0	0	0	0	123.5
126	S	24.1	Very low	26.2	Very low	114 Å²	114	143.2 Å²	143.2	80%	0.797	77%	0.772	S	S	*	*				27.7	145.3	112.9	-50.6	0	0	0	0	120.9
127	P	34.2	Very low	26.1	Very low	123 Å²	123	141.6 Å²	141.6	80%	0.799	77%	0.767	S	S	*	*			cis	-117.6	167.5	39.5	14	10	0	0	0	113.9
128	A	24.5	Very low	26.2	Very low	78 Å²	78	137.4 Å²	137.4	65%	0.645	76%	0.757	S	S	*	*			cis	87.6	119.9	30.2	0	0	0	0	0	116
129	E	28.2	Very low	26.1	Very low	188 Å²	188	138.1 Å²	138.1	88%	0.879	76%	0.755	S	S	*	*			trans	64	157.2	161.8	-72.1	145.1	-154.7	0	0	117.3
130	E	25	Very low	26.1	Very low	150 Å²	150	137 Å²	137	70%	0.701	75%	0.749	S	S	*	*			cis	-154.1	167.2	1	-128	-159.1	-163.4	0	0	107.1
131	W	23.4	Very low	25.9	Very low	178 Å²	178	137.1 Å²	137.1	67%	0.674	74%	0.739	S	S	*	*			cis	-162.2	163.7	-6.8	-144.2	171.9	0	0	0	112.6
132	Q	21.7	Very low	25.9	Very low	139 Å²	139	136.5 Å²	136.5	65%	0.65	74%	0.735	S	S	*	*			trans	38.4	161.9	139.8	-92.7	173.9	25.1	0	0	126.9
133	A	27.3	Very low	25.8	Very low	87 Å²	87	138 Å²	138	72%	0.719	74%	0.739	S	S	*	*			trans	-124.9	158.4	165.8	0	0	0	0	0	110.1
134	F	21.9	Very low	25.5	Very low	188 Å²	188	135.8 Å²	135.8	83%	0.825	74%	0.741	S	S	*	*			trans	-162.8	135.8	164.3	-135.4	-101.7	0	0	0	116.5
135	S	27.4	Very low	26.8	Very low	87 Å²	87	130.8 Å²	130.8	61%	0.608	74%	0.735	S	S	*	*			trans	59.6	152.9	151.4	71.8	0	0	0	0	120.5
136	Q	26.8	Very low	26.7	Very low	187 Å²	187	136.4 Å²	136.4	87%	0.874	75%	0.747	S	S	*	*	S	Bend	cis	-143.6	155.5	44.1	-68.6	176.4	-11	0	0	112.7
137	S	24.3	Very low	26.6	Very low	111 Å²	111	139.5 Å²	139.5	78%	0.776	75%	0.75	S	S	*	*			cis	-108.7	-164.3	1	60.9	0	0	0	0	110.9
138	G	27.8	Very low	27.1	Very low	53 Å²	53	138.7 Å²	138.7	55%	0.546	74%	0.744	S	S	.	*			cis	92.5	136.9	5.5	0	0	0	0	0	113.5
139	L	26.5	Very low	27	Very low	158 Å²	158	143.9 Å²	143.9	83%	0.827	76%	0.755	S	S	*	*			cis	-126.3	-140.8	-3.7	-57.5	171.9	0	0	0	108
140	D	24.5	Very low	26.9	Very low	127 Å²	127	144.1 Å²	144.1	68%	0.679	75%	0.753	S	S	*	*			cis	-168.6	160.4	-4.3	-115.4	-18.4	0	0	0	105.6
141	L	25.4	Very low	26.7	Very low	131 Å²	131	144 Å²	144	69%	0.686	76%	0.763	S	S	*	*			cis	-162.9	101.1	-15.3	-175.5	72.2	0	0	0	110.3
142	H	28.1	Very low	26.7	Very low	175 Å²	175	145 Å²	145	81%	0.81	77%	0.774	S	S	*	*			trans	63.8	168.9	169.9	-66.6	-119.4	0	0	0	116.1
143	K	23.6	Very low	26.8	Very low	195 Å²	195	142.3 Å²	142.3	85%	0.848	78%	0.784	S	S	*	*			cis	-148.3	170.1	4.9	-149.7	-179.4	178.9	-171.7	0	110.2
144	A	21.4	Very low	26.7	Very low	83 Å²	83	143.4 Å²	143.4	69%	0.686	79%	0.787	S	S	*	*			trans	-126.2	-165.7	176.5	0	0	0	0	0	111.1
145	P	52.9	Low	26.9	Very low	115 Å²	115	142.5 Å²	142.5	75%	0.747	79%	0.791	S	S	*	*				-125.4	-178.4	-74.1	39.8	-26.4	0	0	0	112.5
146	E	21.6	Very low	26.8	Very low	197 Å²	197	145.5 Å²	145.5	92%	0.921	80%	0.8	S	S	*	*			trans	-179.7	156.5	147	-105.1	156.8	-161	0	0	114.4
147	E	22.2	Very low	27	Very low	180 Å²	180	143.7 Å²	143.7	84%	0.841	80%	0.795	S	S	*	*			trans	-110.6	-164.9	161.4	-45.6	-174.9	127.2	0	0	108.3
148	P	45.1	Very low	27.1	Very low	106 Å²	106	145.1 Å²	145.1	69%	0.688	79%	0.794	S	S	*	*			cis	-131.1	-167.4	-18.6	33.3	-11.2	0	0	0	112.6
149	E	22	Very low	27	Very low	187 Å²	187	147.3 Å²	147.3	87%	0.874	81%	0.807	S	S	*	*				155	167.6	128	-78.4	-137.3	126.1	0	0	114
150	K	25.3	Very low	27	Very low	193 Å²	193	144.8 Å²	144.8	84%	0.839	80%	0.803	S	S	*	*			trans	-116.2	159.8	-175.3	-57.6	172.7	-178.7	173	0	111.2
151	T	21.5	Very low	27	Very low	146 Å²	146	147 Å²	147	90%	0.896	81%	0.811	S	S	*	*			trans	-158.9	161.5	144.2	-4.1	0	0	0	0	113.1
152	H	23.9	Very low	27	Very low	199 Å²	199	145.6 Å²	145.6	92%	0.921	81%	0.812	S	S	*	*			trans	-86.7	158.3	176.4	-75.3	-108.4	0	0	0	112.1
153	G	24.1	Very low	27	Very low	83 Å²	83	142 Å²	142	86%	0.856	81%	0.807	S	S	*	*			trans	-161.9	121	163.1	0	0	0	0	0	110.3
154	S	24.3	Very low	27.1	Very low	111 Å²	111	140.9 Å²	140.9	78%	0.776	81%	0.805	S	S	*	*			trans	-123.9	140.9	179.6	54.6	0	0	0	0	109.7
155	D	27.3	Very low	27.3	Very low	169 Å²	169	145.3 Å²	145.3	90%	0.904	81%	0.811	S	S	*	*			trans	-148.1	132.3	158.8	-94.5	-42.5	0	0	0	109.8
156	D	24.5	Very low	26.1	Very low	150 Å²	150	147.5 Å²	147.5	80%	0.802	81%	0.809	S	S	*	*			trans	-94.5	166.3	173.9	-78.4	-61.5	0	0	0	110.9
157	L	30.4	Very low	26.3	Very low	149 Å²	149	145.1 Å²	145.1	78%	0.78	80%	0.798	S	S	*	*				173.5	114.3	122.9	-91	165.2	0	0	0	113.2
158	N	27.1	Very low	26.3	Very low	140 Å²	140	145.7 Å²	145.7	75%	0.749	80%	0.801	S	S	*	*			trans	51.5	107.7	141.6	-58.2	-9.7	0	0	0	119.8
159	A	26	Very low	25.2	Very low	100 Å²	100	148.7 Å²	148.7	83%	0.826	81%	0.806	S	S	*	*				86.2	147.6	82.5	0	0	0	0	0	114
160	S	25.3	Very low	25.3	Very low	104 Å²	104	147 Å²	147	73%	0.727	80%	0.802	S	S	*	*			cis	-152.1	151.5	16.9	59.5	0	0	0	0	114
161	M	26	Very low	25.3	Very low	174 Å²	174	143.9 Å²	143.9	86%	0.857	80%	0.799	S	S	*	*			trans	38.7	124.5	147.8	-55.8	-105	72.6	0	0	118.6
162	S	23.9	Very low	25.4	Very low	101 Å²	101	145.2 Å²	145.2	71%	0.706	80%	0.8	S	S	*	*				-169	147.7	57	56	0	0	0	0	115.6
163	S	28.3	Very low	25.3	Very low	101 Å²	101	138.8 Å²	138.8	71%	0.706	79%	0.788	S	S	*	*			trans	65.6	111.4	148.3	-57.4	0	0	0	0	122.2
164	Q	27.1	Very low	25.4	Very low	171 Å²	171	144.8 Å²	144.8	80%	0.799	79%	0.793	S	S	*	*			trans	68	97.4	144.3	-60.9	171.1	-6.6	0	0	117.2
165	Q	25.7	Very low	25.4	Very low	176 Å²	176	144.5 Å²	144.5	82%	0.822	80%	0.797	S	S	*	*				66.2	140.8	63.2	-66.8	-171	-59.8	0	0	115.2
166	F	25.9	Very low	25.3	Very low	160 Å²	160	141.4 Å²	141.4	70%	0.702	79%	0.789	S	S	*	*			cis	-168.5	121.8	-25.1	-144.2	-129.3	0	0	0	104.9
167	E	26.5	Very low	25.2	Very low	147 Å²	147	141 Å²	141	69%	0.687	79%	0.787	S	S	*	*				71	132.1	87.5	-157.4	-176.9	-81	0	0	115.2
168	E	21.8	Very low	25	Very low	193 Å²	193	139.7 Å²	139.7	90%	0.902	79%	0.789	S	S	*	*			trans	-149.3	85.3	172.9	-175.6	-178.7	-141.1	0	0	110.5
169	Q	22.5	Very low	25	Very low	168 Å²	168	138.4 Å²	138.4	79%	0.785	79%	0.786	S	S	*	*			trans	-154.4	94.8	169.1	-156.6	156.7	1.9	0	0	116.6
170	L	23.7	Very low	25	Very low	151 Å²	151	137.9 Å²	137.9	79%	0.791	78%	0.776	S	S	*	*			trans	42.6	151.6	134.4	-73.4	164.2	0	0	0	124
171	T	24.9	Very low	25.1	Very low	128 Å²	128	141.4 Å²	141.4	79%	0.785	78%	0.781	S	S	*	*			trans	77.9	153.8	168.7	75.4	0	0	0	0	116.2
172	L	24.2	Very low	25.2	Very low	175 Å²	175	140.4 Å²	140.4	92%	0.916	78%	0.778	S	S	*	*			cis	-103.6	-161.8	-3	-137	54.3	0	0	0	109.4
173	G	22.1	Very low	25.6	Very low	64 Å²	64	141.1 Å²	141.1	66%	0.66	78%	0.781	S	S	*	*			cis	-173.5	-160.5	1.5	0	0	0	0	0	112
174	E	25.9	Very low	25.9	Very low	208 Å²	208	140.4 Å²	140.4	97%	0.972	78%	0.775	S	S	*	*			trans	-103.9	148.7	-167.2	-64	169.7	124.2	0	0	116
175	A	23.7	Very low	26.9	Very low	105 Å²	105	135.7 Å²	135.7	87%	0.868	76%	0.76	S	S	*	*			trans	-151.4	139.7	143.4	0	0	0	0	0	108.1
176	S	25.7	Very low	28.2	Very low	105 Å²	105	131 Å²	131	73%	0.734	74%	0.737	S	S	*	*			trans	-100.1	146.5	-177.9	67	0	0	0	0	112.6
177	D	23.1	Very low	29.8	Very low	142 Å²	142	125 Å²	125	76%	0.759	72%	0.717	S	S	*	*				161.7	161.8	122.2	-85	6.6	0	0	0	112.2
178	C	25.3	Very low	32.1	Very low	120 Å²	120	120.7 Å²	120.7	81%	0.811	70%	0.695	S	S	*	*			trans	59.2	63.5	165.6	-164.5	0	0	0	0	117.9
179	V	26.6	Very low	35	Very low	113 Å²	113	114.7 Å²	114.7	69%	0.685	67%	0.668	S	S	*	*			trans	-127.6	66.9	156.4	-166.1	0	0	0	0	111.4	L182	V179-L182 HydrophobicContact CG1-CD1 3.84Å
180	S	26.5	Very low	37.7	Very low	90 Å²	90	106.7 Å²	106.7	63%	0.629	63%	0.631	S	S	*	*			trans	-70.5	146.7	146.8	47.7	0	0	0	0	108.6
181	H	28.5	Very low	40.5	Very low	178 Å²	178	101.3 Å²	101.3	82%	0.824	60%	0.604	S	S	*	*			trans	71.6	87.3	-170.6	-49.2	-81.1	0	0	0	116.1
182	L	26.7	Very low	43.3	Very low	152 Å²	152	95.2 Å²	95.2	80%	0.796	57%	0.567	S	S	*	*			trans	-105.1	131.8	152.3	-134.6	78	0	0	0	109.5	V179	V179-L182 HydrophobicContact CG1-CD1 3.84Å
183	P	33.1	Very low	46.3	Very low	117 Å²	117	89.5 Å²	89.5	76%	0.76	54%	0.536	S	S	*	.			trans	-69.4	168.6	175.3	-21.8	34.6	0	0	0	114.1
184	S	34.2	Very low	49.4	Very low	85 Å²	85	86.5 Å²	86.5	59%	0.594	50%	0.504	S	S	*	.			trans	-61.6	151.8	-177.9	60.9	0	0	0	0	113.8	F186	S184-F186 PolarHBondContact O-N 3.13Å
185	P	48.1	Very low	52.4	Low	73 Å²	73	78.7 Å²	78.7	47%	0.474	47%	0.467	S	S	.	.	S	Bend	trans	-70	-1.3	-161.8	24.7	-35.2	0	0	0	116.8	Q245	P185-Q245 WeakPolarHBondContact O-CG 3.48Å; P185-Q245 PolarHBondContact O-NE2 2.94Å
186	F	52.3	Low	55.6	Low	76 Å²	76	75.8 Å²	75.8	33%	0.333	44%	0.436	S	S	.	.			trans	-158.1	120	169.7	54.4	-78.7	0	0	0	111.7	S184 P243 K310	S184-F186 PolarHBondContact O-N 3.13Å; F186-P243 HydrophobicContact CB-CB 4.23Å; F186-P243 HydrophobicContact CD2-CB 4.06Å; F186-P243 HydrophobicContact CG-CB 4.24Å; F186-K310 HydrophobicContact CD2-CD 3.75Å; F186-K310 HydrophobicContact CE2-CD 3.61Å; F186-K310 HydrophobicContact CZ-CD 4.4Å
187	A	60.8	Low	58.7	Low	35 Å²	35	70.9 Å²	70.9	29%	0.289	40%	0.401	S	S	.	.			trans	-94.1	-22.5	-176.3	0	0	0	0	0	113.9	I244 K310	A187-I244 PolarHBondContact N-O 2.81Å; A187-K310 PolarHBondContact O-N 3.36Å
188	Y	75.1	Confident	62	Low	57 Å²	57	69.5 Å²	69.5	22%	0.224	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	156.5	-173.9	-53	-88.5	0	0	0	112.5	I244 L247 L278 V308 V309	Y188-I244 PolarHBondContact N-O 2.89Å; Y188-I244 PolarHBondContact O-N 3.44Å; Y188-L247 HydrophobicContact CD1-CD1 4.43Å; Y188-L247 HydrophobicContact CD1-CD2 3.92Å; Y188-L247 HydrophobicContact CD1-CG 4.46Å; Y188-L247 HydrophobicContact CD2-CD2 3.62Å; Y188-L247 HydrophobicContact CD2-CG 4.06Å; Y188-L247 HydrophobicContact CE1-CD1 3.87Å; Y188-L247 HydrophobicContact CE1-CD2 4.12Å; Y188-L247 HydrophobicContact CE1-CG 4.16Å; Y188-L247 HydrophobicContact CE2-CD1 4.27Å; Y188-L247 HydrophobicContact CE2-CD2 3.85Å; Y188-L247 HydrophobicContact CE2-CG 3.74Å; Y188-L247 HydrophobicContact CG-CD2 3.67Å; Y188-L247 HydrophobicContact CG-CG 4.42Å; Y188-L278 HydrophobicContact CD1-CD2 4.14Å; Y188-L278 HydrophobicContact CE1-CD2 4.12Å; Y188-V308 CarbonylContact C-O 3.56Å; Y188-V308 WeakPolarHBondContact CA-O 2.93Å; Y188-V309 HydrophobicContact CD1-CG2 4.1Å; Y188-V309 HydrophobicContact CE1-CG1 4.43Å; Y188-V309 HydrophobicContact CE1-CG2 3.97Å
189	L	81.4	Confident	65	Low	66 Å²	66	69 Å²	69	35%	0.346	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	110.3	176.9	-167.5	72.9	0	0	0	109.1	V241 V308	L189-V241 HydrophobicContact CD1-CG1 3.56Å; L189-V241 HydrophobicContact CD2-CG1 3.89Å; L189-V241 HydrophobicContact CG-CG1 3.61Å; L189-V308 PolarHBondContact N-O 3.15Å; L189-V308 PolarHBondContact O-N 2.53Å
190	L	80.3	Confident	68	Low	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	118.7	177.6	-178.2	70.9	0	0	0	110	I192 V241 L242 I244 L251 L273 L276 L305 L307	L190-I192 HydrophobicContact CD2-CD1 4.03Å; L190-I192 HydrophobicContact CD2-CG1 3.87Å; L190-I192 HydrophobicContact CG-CG1 4Å; L190-V241 WeakPolarHBondContact O-CA 3.26Å; L190-L242 PolarHBondContact N-O 2.83Å; L190-L242 PolarHBondContact O-N 3.29Å; L190-I244 HydrophobicContact CB-CD1 3.52Å; L190-I244 HydrophobicContact CB-CG1 4.11Å; L190-I244 HydrophobicContact CD2-CD1 3.71Å; L190-I244 HydrophobicContact CG-CD1 4.23Å; L190-L251 HydrophobicContact CD2-CD2 4.1Å; L190-L273 HydrophobicContact CD2-CD2 3.82Å; L190-L276 HydrophobicContact CD1-CD1 3.76Å; L190-L305 HydrophobicContact CD1-CB 4.4Å; L190-L305 HydrophobicContact CD1-CD2 4.31Å; L190-L305 HydrophobicContact CD2-CD2 4.48Å; L190-L307 HydrophobicContact CB-CD1 4.21Å; L190-L307 HydrophobicContact CD1-CB 4.18Å; L190-L307 HydrophobicContact CD1-CD1 4.16Å
191	T	81.9	Confident	71	Confident	38 Å²	38	60.1 Å²	60.1	23%	0.233	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	123.1	166.7	-55.7	0	0	0	0	109.1	I239 V240 V241 L305 N306	T191-I239 HydrophobicContact CG2-CG2 3.78Å; T191-V240 CarbonylContact C-O 3.56Å; T191-V240 WeakPolarHBondContact CA-O 3.47Å; T191-V241 HydrophobicContact CG2-CG2 4.24Å; T191-L305 WeakPolarHBondContact O-CA 3.35Å; T191-N306 PolarHBondContact N-O 3.36Å; T191-N306 PolarHBondContact O-N 3.44Å
192	I	84.9	Confident	73.7	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	121.6	174.6	-49.9	178.3	0	0	0	108	L190 F215 I239 V240 L242 L251 N304 L305	L190-I192 HydrophobicContact CD2-CD1 4.03Å; L190-I192 HydrophobicContact CD2-CG1 3.87Å; L190-I192 HydrophobicContact CG-CG1 4Å; I192-F215 HydrophobicContact CD1-CD1 4Å; I192-F215 HydrophobicContact CD1-CE1 4.24Å; I192-F215 HydrophobicContact CD1-CG 4.24Å; I192-F215 HydrophobicContact CG2-CE1 3.95Å; I192-F215 HydrophobicContact CG2-CE2 4.37Å; I192-F215 HydrophobicContact CG2-CZ 3.76Å; I192-I239 CarbonylContact O-C 3.53Å; I192-I239 WeakPolarHBondContact O-CA 3.47Å; I192-V240 HydrophobicContact CB-CB 4.4Å; I192-V240 PolarHBondContact N-O 3.33Å; I192-V240 PolarHBondContact O-N 3.32Å; I192-L242 HydrophobicContact CD1-CD1 3.66Å; I192-L242 HydrophobicContact CD1-CG 4.5Å; I192-L251 HydrophobicContact CD1-CD1 4.26Å; I192-L251 HydrophobicContact CD1-CD2 3.77Å; I192-N304 CarbonylContact C-O 3.58Å; I192-N304 WeakPolarHBondContact CA-O 3.39Å; I192-L305 HydrophobicContact CB-CD2 4.07Å; I192-L305 HydrophobicContact CD1-CD2 4.48Å; I192-L305 HydrophobicContact CG1-CD2 3.7Å; I192-L305 HydrophobicContact CG2-CD2 3.88Å
193	H	86.3	Confident	76.4	Confident	56 Å²	56	50.4 Å²	50.4	26%	0.259	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	99.5	168.2	170.4	-143.3	0	0	0	108.9	K195 D237 E238 I239 L303 N304	H193-K195 PolarHBondContact O-N 3.45Å; H193-D237 IonicContact CE1-OD1 2.69Å; H193-D237 WeakPolarHBondContact NE2-CA 3.4Å; H193-D237 IonicContact NE2-OD1 2.75Å; H193-D237 PolarHBondContact NE2-OD1 3.15Å; H193-E238 CarbonylContact C-O 3.53Å; H193-E238 WeakPolarHBondContact CA-O 3.06Å; H193-I239 HydrophobicContact CB-CG1 4.06Å; H193-L303 CarbonylContact O-C 3.54Å; H193-L303 WeakPolarHBondContact O-CA 3.34Å; H193-N304 HydrophobicContact CB-CB 4.02Å; H193-N304 PolarHBondContact N-O 2.64Å; H193-N304 PolarHBondContact O-N 2.88Å
194	L	88.1	Confident	78.7	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	105.6	175.3	176.3	63.2	0	0	0	108.5	V213 F215 W236 D237 E238 I301 L303	L194-V213 HydrophobicContact CD1-CG2 4.2Å; L194-V213 HydrophobicContact CD2-CB 3.87Å; L194-V213 HydrophobicContact CD2-CG1 4.43Å; L194-V213 HydrophobicContact CD2-CG2 3.77Å; L194-F215 HydrophobicContact CB-CZ 4.31Å; L194-F215 HydrophobicContact CD1-CZ 4.35Å; L194-F215 HydrophobicContact CD2-CE2 4.27Å; L194-F215 HydrophobicContact CD2-CZ 4.39Å; L194-W236 HydrophobicContact CD1-CE3 3.71Å; L194-W236 HydrophobicContact CD1-CZ3 3.97Å; L194-W236 HydrophobicContact CD2-CB 4.05Å; L194-W236 HydrophobicContact CD2-CD2 3.84Å; L194-W236 HydrophobicContact CD2-CE3 3.82Å; L194-W236 HydrophobicContact CD2-CG 3.95Å; L194-W236 HydrophobicContact CG-CB 4.08Å; L194-W236 HydrophobicContact CG-CD2 4.11Å; L194-W236 HydrophobicContact CG-CE3 3.66Å; L194-W236 HydrophobicContact CG-CG 4.31Å; L194-W236 HydrophobicContact CG-CZ3 4.4Å; L194-D237 WeakPolarHBondContact O-CA 2.75Å; L194-D237 PolarHBondContact O-N 3.04Å; L194-D237 VanDerWaalsContact O-N 3.15Å; L194-E238 PolarHBondContact N-O 1.95Å; L194-E238 PolarHBondContact O-N 3.14Å; L194-I301 HydrophobicContact CD1-CG2 3.49Å; L194-I301 VanDerWaalsContact CD1-CG2 3.49Å; L194-L303 HydrophobicContact CD1-CB 4.44Å
195	K	87.6	Confident	80.4	Confident	45 Å²	45	55.1 Å²	55.1	20%	0.196	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	-70.2	-179.5	-72.6	168.4	163.2	167.5	0	110.6	H193 I235 W236 D237 E283 V302 N304	H193-K195 PolarHBondContact O-N 3.45Å; K195-I235 CarbonylContact O-C 3.55Å; K195-W236 PolarHBondContact O-N 3.21Å; K195-D237 PolarHBondContact O-N 3.1Å; K195-E283 VanDerWaalsContact NZ-CD 3.28Å; K195-E283 IonicContact NZ-OE1 2.71Å; K195-E283 PolarHBondContact NZ-OE1 3.15Å; K195-E283 IonicContact NZ-OE2 2.79Å; K195-V302 WeakPolarHBondContact CB-O 3.06Å; K195-V302 HydrophobicContact CD-CG1 4.01Å; K195-V302 PolarHBondContact N-O 3.12Å; K195-V302 VanDerWaalsContact N-O 3.15Å; K195-N304 WeakPolarHBondContact CE-OD1 3.38Å; K195-N304 PolarHBondContact NZ-ND2 3Å; K195-N304 PolarHBondContact NZ-OD1 2.87Å
196	E	90.3	Very high	81.2	Confident	44 Å²	44	54.7 Å²	54.7	21%	0.206	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	157.4	-165.9	60.4	-175.5	-152.9	0	0	112.9	R198 P234 I235 V302	E196-R198 IonicContact OE1-CZ 3.79Å; E196-R198 IonicContact OE1-NE 3.14Å; E196-R198 PolarHBondContact OE1-NE 3.4Å; E196-R198 IonicContact OE1-NH2 2.59Å; E196-R198 PolarHBondContact OE1-NH2 2.81Å; E196-P234 CarbonylContact C-O 3.56Å; E196-P234 WeakPolarHBondContact CA-O 3.38Å; E196-P234 WeakPolarHBondContact CB-O 3.47Å; E196-I235 HydrophobicContact CB-CB 4.42Å; E196-I235 HydrophobicContact CB-CG1 4.06Å; E196-V302 HydrophobicContact CG-CB 3.99Å; E196-V302 HydrophobicContact CG-CG2 4.14Å; E196-V302 PolarHBondContact N-O 2.82Å; E196-V302 PolarHBondContact O-N 3.41Å
197	G	91.9	Very high	82.1	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.01	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	150.8	162.5	0	0	0	0	0	109.9	N233 P234 V300	G197-N233 CarbonylContact O-C 3.5Å; G197-N233 VanDerWaalsContact O-CA 3.28Å; G197-N233 WeakPolarHBondContact O-CA 3.42Å; G197-P234 PolarHBondContact N-O 3.28Å; G197-V300 CarbonylContact C-O 3.56Å; G197-V300 VanDerWaalsContact CA-O 3.31Å; G197-V300 WeakPolarHBondContact CA-O 3.02Å
198	R	91.9	Very high	82.9	Confident	113 Å²	113	53.5 Å²	53.5	43%	0.426	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	134.2	177.1	-62.3	-177.9	-177.6	168.7	2.7	110.1	E196 L200 N233 G299 V300	E196-R198 IonicContact OE1-CZ 3.79Å; E196-R198 IonicContact OE1-NE 3.14Å; E196-R198 PolarHBondContact OE1-NE 3.4Å; E196-R198 IonicContact OE1-NH2 2.59Å; E196-R198 PolarHBondContact OE1-NH2 2.81Å; R198-L200 PolarHBondContact O-N 3.12Å; R198-N233 VanDerWaalsContact CA-OD1 3.28Å; R198-N233 WeakPolarHBondContact CA-OD1 3.39Å; R198-G299 WeakPolarHBondContact O-CA 3.39Å; R198-V300 PolarHBondContact N-O 2.59Å; R198-V300 PolarHBondContact O-N 3Å
199	N	89.1	Confident	83.4	Confident	110 Å²	110	50.8 Å²	50.8	59%	0.588	25%	0.253	S	S	*	.	S	Bend	trans	44	45.7	179.9	-66.4	-5.2	0	0	0	113.9	L232 N233 G299	N199-L232 PolarHBondContact N-O 2.84Å; N199-N233 PolarHBondContact N-OD1 3.47Å; N199-G299 WeakPolarHBondContact O-CA 3.44Å
200	L	89.8	Confident	83.8	Confident	3 Å²	3	48.7 Å²	48.7	2%	0.016	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-64.1	142.6	176	-59.6	179.5	0	0	0	110.7	R198 P211 L232 P234 W236 V255 M266 L288	R198-L200 PolarHBondContact O-N 3.12Å; L200-P211 HydrophobicContact CD1-CB 3.61Å; L200-P211 HydrophobicContact CD1-CG 3.86Å; L200-L232 WeakPolarHBondContact CB-O 3.41Å; L200-L232 PolarHBondContact N-O 2.82Å; L200-P234 HydrophobicContact CD1-CG 3.54Å; L200-W236 HydrophobicContact CD1-CH2 4.14Å; L200-V255 HydrophobicContact CD1-CG1 4.29Å; L200-M266 HydrophobicContact CB-CE 4.11Å; L200-L288 HydrophobicContact CD2-CD1 3.52Å
201	V	87.9	Confident	84.3	Confident	14 Å²	14	48.7 Å²	48.7	9%	0.085	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-57	147.9	179.1	129.6	0	0	0	0	112.6	R203 M266 E295 D297 M298	V201-R203 HydrophobicContact CG1-CG 3.91Å; V201-M266 WeakPolarHBondContact O-CE 3.12Å; V201-E295 WeakPolarHBondContact CG1-OE1 3.34Å; V201-E295 WeakPolarHBondContact CG1-OE2 3.18Å; V201-E295 HydrophobicContact CG2-CB 4.18Å; V201-E295 HydrophobicContact CG2-CG 4.34Å; V201-E295 WeakPolarHBondContact CG2-OE1 3.36Å; V201-D297 WeakPolarHBondContact CG2-O 3.42Å; V201-M298 HydrophobicContact CB-CE 4.48Å; V201-M298 HydrophobicContact CG1-CE 4.32Å; V201-M298 HydrophobicContact CG2-SD 4.2Å; V201-M298 PolarHBondContact N-O 3.24Å
202	V	86	Confident	84.7	Confident	57 Å²	57	47.2 Å²	47.2	35%	0.345	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-89.3	120.3	174.7	-178.5	0	0	0	0	109.4	D204 L232	V202-D204 WeakPolarHBondContact CG1-O 3.35Å; V202-L232 HydrophobicContact CG2-CD1 3.48Å; V202-L232 VanDerWaalsContact CG2-CD1 3.48Å; V202-L232 HydrophobicContact CG2-CD2 3.9Å; V202-L232 HydrophobicContact CG2-CG 4.33Å
203	R	84.2	Confident	85.1	Confident	69 Å²	69	47.2 Å²	47.2	26%	0.26	23%	0.233	S	C	.	.			trans	-109.9	-25.6	167.9	-62.4	-58.2	177.7	81.2	-6	113.5	V201 S209 D264 F265 S293 E295	V201-R203 HydrophobicContact CG1-CG 3.91Å; R203-S209 PolarHBondContact N-OG 3.12Å; R203-D264 HydrophobicContact CB-CB 4.36Å; R203-F265 PolarHBondContact NH1-O 3.29Å; R203-S293 PolarHBondContact NH2-OG 3.45Å; R203-S293 VanDerWaalsContact NH2-OG 3.16Å; R203-E295 IonicContact CZ-OE2 2.73Å; R203-E295 IonicContact NE-OE1 3.47Å; R203-E295 IonicContact NE-OE2 3.73Å; R203-E295 PolarHBondContact NE-OE2 3.26Å; R203-E295 VanDerWaalsContact NE-OE2 3.16Å; R203-E295 IonicContact NH2-OE2 3.15Å; R203-E295 PolarHBondContact NH2-OE2 3.03Å
204	D	80.6	Confident	85.3	Confident	49 Å²	49	46.4 Å²	46.4	26%	0.262	23%	0.228	S	C	.	.	S	Bend	trans	-79.5	139.9	179.6	-169.2	15.2	0	0	0	113.4	V202 C206 G207	V202-D204 WeakPolarHBondContact CG1-O 3.35Å; D204-C206 PolarHBondContact O-N 3.09Å; D204-C206 PolarHBondContact OD2-SG 3.35Å; D204-G207 PolarHBondContact O-N 3.44Å; D204-G207 VanDerWaalsContact O-N 3.15Å
205	R	69.8	Low	85.3	Confident	252 Å²	252	46.4 Å²	46.4	95%	0.951	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-11.9	-176.9	-64.6	-174.9	-178.2	-172.8	0.4	114	G207	R205-G207 VanDerWaalsContact C-N 3.33Å
206	C	64.9	Low	85.1	Confident	64 Å²	64	46.7 Å²	46.7	43%	0.432	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	2.1	176.7	79.9	0	0	0	0	114.4	D204 T208 K230	D204-C206 PolarHBondContact O-N 3.09Å; D204-C206 PolarHBondContact OD2-SG 3.35Å; C206-T208 VanDerWaalsContact C-N 3.34Å; C206-T208 PolarHBondContact SG-O 3.12Å; C206-T208 PolarHBondContact SG-OG1 3.27Å; C206-T208 VanDerWaalsContact SG-OG1 3.36Å; C206-K230 PolarHBondContact SG-NZ 2.8Å
207	G	70.5	Confident	84.7	Confident	43 Å²	43	45.5 Å²	45.5	44%	0.443	23%	0.225	S	C	.	.	S	Bend	trans	85.7	2.4	177.7	0	0	0	0	0	114.6	D204 R205	D204-G207 PolarHBondContact O-N 3.44Å; D204-G207 VanDerWaalsContact O-N 3.15Å; R205-G207 VanDerWaalsContact C-N 3.33Å
208	T	78.2	Confident	83.8	Confident	42 Å²	42	50.2 Å²	50.2	26%	0.258	25%	0.25	S	C	.	.			trans	-145.3	123.6	179.4	57.1	0	0	0	0	110.2	C206 K230	C206-T208 VanDerWaalsContact C-N 3.34Å; C206-T208 PolarHBondContact SG-O 3.12Å; C206-T208 PolarHBondContact SG-OG1 3.27Å; C206-T208 VanDerWaalsContact SG-OG1 3.36Å; T208-K230 WeakPolarHBondContact OG1-CB 3.25Å
209	S	86.8	Confident	82.8	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.256	C	S	.	.			trans	-84.3	165	176.9	-76.3	0	0	0	0	113.5	R203 P211 K230 N231 D257 M266	R203-S209 PolarHBondContact N-OG 3.12Å; S209-P211 WeakPolarHBondContact O-CD 3.45Å; S209-K230 CarbonylContact O-C 3.6Å; S209-K230 VanDerWaalsContact O-CA 3.25Å; S209-K230 WeakPolarHBondContact O-CA 3.27Å; S209-K230 PolarHBondContact O-N 2.98Å; S209-K230 VanDerWaalsContact O-N 3.17Å; S209-N231 PolarHBondContact O-N 2.82Å; S209-D257 WeakPolarHBondContact CB-OD2 3.41Å; S209-D257 PolarHBondContact OG-OD2 2.92Å; S209-M266 VanDerWaalsContact CB-CE 3.48Å
210	D	88.3	Confident	81.9	Confident	22 Å²	22	49.8 Å²	49.8	12%	0.118	26%	0.261	C	S	.	.			trans	-108.7	62.9	176.5	-66.9	-19.6	0	0	0	111.7	V227 I228 Y229 K230 D257 R258	D210-V227 HydrophobicContact CB-CG1 4.03Å; D210-I228 CarbonylContact C-O 3.59Å; D210-I228 WeakPolarHBondContact CA-O 3.48Å; D210-Y229 HydrophobicContact CB-CD1 4.17Å; D210-Y229 WeakPolarHBondContact OD1-CA 3.38Å; D210-Y229 WeakPolarHBondContact OD2-CD1 3.48Å; D210-K230 PolarHBondContact OD1-N 2.82Å; D210-D257 WeakPolarHBondContact CA-OD1 3.28Å; D210-D257 PolarHBondContact N-OD1 2.79Å; D210-R258 HydrophobicContact CB-CB 3.79Å; D210-R258 WeakPolarHBondContact O-CB 3.39Å; D210-R258 PolarHBondContact O-N 3.42Å
211	P	90.8	Very high	81.4	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.281	C	S	.	.			trans	-67.9	145.2	-167.1	27.1	-38.4	0	0	0	115.6	L200 S209 I228 N231 P234 W236 V255 Y256 M266	L200-P211 HydrophobicContact CD1-CB 3.61Å; L200-P211 HydrophobicContact CD1-CG 3.86Å; S209-P211 WeakPolarHBondContact O-CD 3.45Å; P211-I228 VanDerWaalsContact CD-O 3.29Å; P211-I228 WeakPolarHBondContact CD-O 3.36Å; P211-I228 PolarHBondContact O-N 2.81Å; P211-N231 WeakPolarHBondContact CD-O 3.31Å; P211-N231 WeakPolarHBondContact CG-O 3.44Å; P211-P234 HydrophobicContact CB-CG 4.31Å; P211-P234 HydrophobicContact CG-CB 3.9Å; P211-P234 HydrophobicContact CG-CG 3.64Å; P211-W236 HydrophobicContact CB-CZ2 4.21Å; P211-V255 HydrophobicContact CB-CG1 4.19Å; P211-Y256 CarbonylContact C-O 3.49Å; P211-Y256 WeakPolarHBondContact CA-O 3.28Å; P211-M266 HydrophobicContact CB-CE 4.14Å; P211-M266 HydrophobicContact CB-SD 3.85Å
212	Y	91.9	Very high	80.8	Confident	8 Å²	8	56 Å²	56	3%	0.031	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	157.6	167.1	74	-81.4	0	0	0	112.6	K214 K224 K226 V227 V255 Y256 D257 R258 S263	Y212-K214 HydrophobicContact CD2-CG 4.46Å; Y212-K214 HydrophobicContact CE2-CD 4.29Å; Y212-K214 HydrophobicContact CE2-CG 4.03Å; Y212-K214 WeakPolarHBondContact OH-CE 3.35Å; Y212-K214 PolarHBondContact OH-NZ 2.88Å; Y212-K214 VanDerWaalsContact OH-NZ 3.12Å; Y212-K224 HydrophobicContact CD2-CD 3.98Å; Y212-K224 VanDerWaalsContact CD2-CE 3.46Å; Y212-K224 HydrophobicContact CD2-CG 3.66Å; Y212-K224 HydrophobicContact CE2-CD 3.67Å; Y212-K224 HydrophobicContact CE2-CG 3.77Å; Y212-K226 WeakPolarHBondContact CB-O 3.43Å; Y212-V227 HydrophobicContact CD1-CG2 3.89Å; Y212-V227 HydrophobicContact CG-CG2 3.96Å; Y212-V255 WeakPolarHBondContact O-CA 3.35Å; Y212-Y256 WeakPolarHBondContact CD1-O 3.25Å; Y212-Y256 PolarHBondContact N-O 2.81Å; Y212-Y256 PolarHBondContact O-N 2.83Å; Y212-D257 WeakPolarHBondContact CE1-O 3.18Å; Y212-R258 HydrophobicContact CD1-CB 4.19Å; Y212-R258 HydrophobicContact CE1-CB 4.23Å; Y212-S263 WeakPolarHBondContact CE1-OG 3.41Å; Y212-S263 WeakPolarHBondContact OH-CB 3.4Å; Y212-S263 PolarHBondContact OH-OG 2.85Å
213	V	91.4	Very high	80.5	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	142	-172.7	-173.1	0	0	0	0	111.1	L194 F215 K224 S225 W236 V253 K254 V255 I301	L194-V213 HydrophobicContact CD1-CG2 4.2Å; L194-V213 HydrophobicContact CD2-CB 3.87Å; L194-V213 HydrophobicContact CD2-CG1 4.43Å; L194-V213 HydrophobicContact CD2-CG2 3.77Å; V213-F215 HydrophobicContact CG1-CE1 4.36Å; V213-F215 HydrophobicContact CG1-CE2 4.09Å; V213-F215 HydrophobicContact CG1-CZ 3.99Å; V213-K224 CarbonylContact O-C 3.55Å; V213-K224 WeakPolarHBondContact O-CA 3.44Å; V213-S225 PolarHBondContact N-OG 2.86Å; V213-S225 PolarHBondContact O-N 2.83Å; V213-W236 HydrophobicContact CG2-CD2 4.41Å; V213-W236 HydrophobicContact CG2-CE3 4.26Å; V213-W236 HydrophobicContact CG2-CH2 3.45Å; V213-W236 VanDerWaalsContact CG2-CH2 3.45Å; V213-W236 HydrophobicContact CG2-CZ2 3.63Å; V213-W236 HydrophobicContact CG2-CZ3 3.78Å; V213-V253 HydrophobicContact CG1-CG1 3.4Å; V213-K254 CarbonylContact C-O 3.54Å; V213-K254 WeakPolarHBondContact CA-O 3.47Å; V213-V255 HydrophobicContact CG2-CG2 4.39Å; V213-I301 HydrophobicContact CG1-CD1 4.37Å; V213-I301 HydrophobicContact CG2-CD1 4.36Å
214	K	90.7	Very high	80.4	Confident	38 Å²	38	57.6 Å²	57.6	17%	0.165	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	127.9	167.6	-61	177.8	-161	149	0	109.6	Y212 T221 Y223 K224 K254 Y256	Y212-K214 HydrophobicContact CD2-CG 4.46Å; Y212-K214 HydrophobicContact CE2-CD 4.29Å; Y212-K214 HydrophobicContact CE2-CG 4.03Å; Y212-K214 WeakPolarHBondContact OH-CE 3.35Å; Y212-K214 PolarHBondContact OH-NZ 2.88Å; Y212-K214 VanDerWaalsContact OH-NZ 3.12Å; K214-T221 HydrophobicContact CB-CG2 4.06Å; K214-Y223 WeakPolarHBondContact CA-O 3.49Å; K214-K224 HydrophobicContact CG-CG 4.41Å; K214-K254 PolarHBondContact N-O 3.38Å; K214-K254 PolarHBondContact O-N 3.4Å; K214-Y256 HydrophobicContact CB-CE2 4.34Å; K214-Y256 HydrophobicContact CD-CD2 3.66Å; K214-Y256 HydrophobicContact CD-CE2 3.49Å; K214-Y256 VanDerWaalsContact CD-CE2 3.49Å; K214-Y256 VanDerWaalsContact CE-CD2 3.44Å; K214-Y256 HydrophobicContact CG-CD2 3.98Å; K214-Y256 HydrophobicContact CG-CE2 4.09Å; K214-Y256 VanDerWaalsContact NZ-CD2 3.26Å; K214-Y256 VanDerWaalsContact NZ-CE2 3.34Å
215	F	88.9	Confident	80.6	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	127.1	171.2	-65.5	-77.6	0	0	0	109.8	I192 L194 V213 L222 Y223 L251 V253 L303	I192-F215 HydrophobicContact CD1-CD1 4Å; I192-F215 HydrophobicContact CD1-CE1 4.24Å; I192-F215 HydrophobicContact CD1-CG 4.24Å; I192-F215 HydrophobicContact CG2-CE1 3.95Å; I192-F215 HydrophobicContact CG2-CE2 4.37Å; I192-F215 HydrophobicContact CG2-CZ 3.76Å; L194-F215 HydrophobicContact CB-CZ 4.31Å; L194-F215 HydrophobicContact CD1-CZ 4.35Å; L194-F215 HydrophobicContact CD2-CE2 4.27Å; L194-F215 HydrophobicContact CD2-CZ 4.39Å; V213-F215 HydrophobicContact CG1-CE1 4.36Å; V213-F215 HydrophobicContact CG1-CE2 4.09Å; V213-F215 HydrophobicContact CG1-CZ 3.99Å; F215-L222 PolarHBondContact O-N 2.88Å; F215-Y223 AromaticContact CD2-CD1 3.93Å; F215-Y223 HydrophobicContact CD2-CD1 3.93Å; F215-Y223 HydrophobicContact CD2-CG 4.49Å; F215-Y223 HydrophobicContact CE2-CD1 4.27Å; F215-Y223 PolarHBondContact N-O 3.39Å; F215-L251 HydrophobicContact CB-CD1 4.29Å; F215-L251 HydrophobicContact CD1-CD1 4.23Å; F215-L251 HydrophobicContact CD1-CD2 4.41Å; F215-L251 HydrophobicContact CD1-CG 4.49Å; F215-V253 HydrophobicContact CD1-CB 4.48Å; F215-V253 HydrophobicContact CD1-CG1 4.12Å; F215-V253 HydrophobicContact CD1-CG2 3.98Å; F215-V253 HydrophobicContact CE1-CB 4.4Å; F215-V253 HydrophobicContact CE1-CG1 3.74Å; F215-V253 HydrophobicContact CE1-CG2 3.86Å; F215-V253 HydrophobicContact CZ-CG1 4.41Å; F215-L303 HydrophobicContact CE1-CD2 4.01Å; F215-L303 HydrophobicContact CZ-CD2 4.34Å
216	K	84.2	Confident	81.1	Confident	51 Å²	51	48.4 Å²	48.4	22%	0.222	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	141.1	-179.6	-78.5	177.4	164.5	-87.5	0	111.3	G219 K220 T221 R252	K216-G219 PolarHBondContact NZ-O 2.94Å; K216-K220 CarbonylContact C-O 3.56Å; K216-K220 WeakPolarHBondContact CA-O 3.47Å; K216-K220 WeakPolarHBondContact CB-O 3.14Å; K216-T221 VanDerWaalsContact CE-OG1 3.25Å; K216-T221 WeakPolarHBondContact CE-OG1 3.41Å; K216-T221 HydrophobicContact CG-CG2 4.06Å; K216-T221 PolarHBondContact NZ-OG1 2.95Å; K216-T221 VanDerWaalsContact NZ-OG1 3.07Å; K216-R252 HydrophobicContact CB-CB 4.25Å; K216-R252 PolarHBondContact N-O 2.86Å; K216-R252 PolarHBondContact O-N 2.86Å
217	L	81.6	Confident	82.2	Confident	20 Å²	20	46.7 Å²	46.7	11%	0.105	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	133.7	179.1	174.9	149.6	0	0	0	107.2	G219 K220 L222 I244 L273	L217-G219 PolarHBondContact O-N 2.86Å; L217-K220 PolarHBondContact N-O 2.89Å; L217-K220 PolarHBondContact O-N 3.02Å; L217-L222 HydrophobicContact CB-CD1 3.74Å; L217-L222 HydrophobicContact CB-CG 4.34Å; L217-L222 HydrophobicContact CD1-CD1 4.34Å; L217-L222 HydrophobicContact CD2-CD1 4.2Å; L217-L222 HydrophobicContact CG-CD1 4.33Å; L217-I244 HydrophobicContact CD1-CD1 4.04Å; L217-I244 HydrophobicContact CD1-CG1 4.44Å; L217-L273 HydrophobicContact CD1-CD1 4.13Å
218	N	73.4	Confident	82.6	Confident	100 Å²	100	46.4 Å²	46.4	54%	0.535	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	43.2	-171.4	-57.8	-7.6	0	0	0	112.9	K220 Q249	N218-K220 PolarHBondContact O-N 2.83Å; N218-Q249 PolarHBondContact ND2-NE2 3.16Å; N218-Q249 VanDerWaalsContact ND2-NE2 3.14Å
219	G	69.2	Low	82.9	Confident	55 Å²	55	52 Å²	52	57%	0.567	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	-36.5	-177.9	0	0	0	0	0	115.4	K216 L217	K216-G219 PolarHBondContact NZ-O 2.94Å; L217-G219 PolarHBondContact O-N 2.86Å
220	K	71.3	Confident	82.7	Confident	158 Å²	158	57.8 Å²	57.8	69%	0.687	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.9	149.4	175.9	-62	-176.2	-179.7	-177.5	0	111	K216 L217 N218	K216-K220 CarbonylContact C-O 3.56Å; K216-K220 WeakPolarHBondContact CA-O 3.47Å; K216-K220 WeakPolarHBondContact CB-O 3.14Å; L217-K220 PolarHBondContact N-O 2.89Å; L217-K220 PolarHBondContact O-N 3.02Å; N218-K220 PolarHBondContact O-N 2.83Å
221	T	78.3	Confident	82.6	Confident	71 Å²	71	59.4 Å²	59.4	44%	0.436	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	120.7	177.4	-42.4	0	0	0	0	108.4	K214 K216	K214-T221 HydrophobicContact CB-CG2 4.06Å; K216-T221 VanDerWaalsContact CE-OG1 3.25Å; K216-T221 WeakPolarHBondContact CE-OG1 3.41Å; K216-T221 HydrophobicContact CG-CG2 4.06Å; K216-T221 PolarHBondContact NZ-OG1 2.95Å; K216-T221 VanDerWaalsContact NZ-OG1 3.07Å
222	L	75	Confident	82.3	Confident	76 Å²	76	61.4 Å²	61.4	40%	0.398	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	-28.3	-175.3	-61.8	-175.8	0	0	0	113.2	F215 L217 L242	F215-L222 PolarHBondContact O-N 2.88Å; L217-L222 HydrophobicContact CB-CD1 3.74Å; L217-L222 HydrophobicContact CB-CG 4.34Å; L217-L222 HydrophobicContact CD1-CD1 4.34Å; L217-L222 HydrophobicContact CD2-CD1 4.2Å; L217-L222 HydrophobicContact CG-CD1 4.33Å; L222-L242 HydrophobicContact CB-CD1 4.29Å; L222-L242 HydrophobicContact CB-CD2 3.97Å; L222-L242 HydrophobicContact CD1-CD1 3.98Å; L222-L242 HydrophobicContact CD1-CD2 4.32Å
223	Y	79.9	Confident	82.2	Confident	63 Å²	63	64.4 Å²	64.4	25%	0.247	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	153.8	179.4	-171.7	-97.2	0	0	0	112	K214 F215 V240	K214-Y223 WeakPolarHBondContact CA-O 3.49Å; F215-Y223 AromaticContact CD2-CD1 3.93Å; F215-Y223 HydrophobicContact CD2-CD1 3.93Å; F215-Y223 HydrophobicContact CD2-CG 4.49Å; F215-Y223 HydrophobicContact CE2-CD1 4.27Å; F215-Y223 PolarHBondContact N-O 3.39Å; Y223-V240 HydrophobicContact CD1-CG1 4.38Å; Y223-V240 HydrophobicContact CD1-CG2 3.58Å; Y223-V240 HydrophobicContact CD2-CB 4.49Å; Y223-V240 HydrophobicContact CD2-CG1 3.68Å; Y223-V240 HydrophobicContact CD2-CG2 3.94Å; Y223-V240 HydrophobicContact CE1-CG2 3.44Å; Y223-V240 VanDerWaalsContact CE1-CG2 3.44Å; Y223-V240 HydrophobicContact CE2-CG1 4.22Å; Y223-V240 HydrophobicContact CE2-CG2 3.84Å; Y223-V240 HydrophobicContact CG-CB 4.47Å; Y223-V240 HydrophobicContact CG-CG1 3.77Å; Y223-V240 HydrophobicContact CG-CG2 3.81Å
224	K	83.4	Confident	82	Confident	98 Å²	98	64.4 Å²	64.4	43%	0.426	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	126.9	171.4	175.5	-173	158.9	172.7	0	108.3	Y212 V213 K214	Y212-K224 HydrophobicContact CD2-CD 3.98Å; Y212-K224 VanDerWaalsContact CD2-CE 3.46Å; Y212-K224 HydrophobicContact CD2-CG 3.66Å; Y212-K224 HydrophobicContact CE2-CD 3.67Å; Y212-K224 HydrophobicContact CE2-CG 3.77Å; V213-K224 CarbonylContact O-C 3.55Å; V213-K224 WeakPolarHBondContact O-CA 3.44Å; K214-K224 HydrophobicContact CG-CG 4.41Å
225	S	83.7	Confident	82	Confident	6 Å²	6	67.7 Å²	67.7	4%	0.042	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-70.7	169.9	177.4	76	0	0	0	0	112.9	V213 E238	V213-S225 PolarHBondContact N-OG 2.86Å; V213-S225 PolarHBondContact O-N 2.83Å; S225-E238 WeakPolarHBondContact CA-OE2 3.5Å; S225-E238 WeakPolarHBondContact CB-OE2 3.36Å
226	K	81.6	Confident	81.6	Confident	102 Å²	102	68.3 Å²	68.3	44%	0.443	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-59.1	154.1	158.9	-77	-176.2	-141.9	75.8	0	111.7	Y212 W236 E238	Y212-K226 WeakPolarHBondContact CB-O 3.43Å; K226-W236 PolarHBondContact O-NE1 3.48Å; K226-W236 VanDerWaalsContact O-NE1 3.15Å; K226-E238 WeakPolarHBondContact CB-OE1 3.42Å; K226-E238 WeakPolarHBondContact CG-OE1 3.49Å; K226-E238 PolarHBondContact N-OE1 2.82Å; K226-E238 PolarHBondContact N-OE2 2.94Å; K226-E238 VanDerWaalsContact N-OE2 3.16Å; K226-E238 IonicContact NZ-OE1 3.41Å; K226-E238 PolarHBondContact NZ-OE1 3.16Å
227	V	86.4	Confident	81.6	Confident	27 Å²	27	68.9 Å²	68.9	16%	0.164	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-86	133.3	168.5	174.6	0	0	0	0	107.9	D210 Y212 Y229 R258	D210-V227 HydrophobicContact CB-CG1 4.03Å; Y212-V227 HydrophobicContact CD1-CG2 3.89Å; Y212-V227 HydrophobicContact CG-CG2 3.96Å; V227-Y229 HydrophobicContact CG1-CD1 4.09Å; V227-Y229 HydrophobicContact CG1-CE1 3.75Å; V227-Y229 HydrophobicContact CG1-CE2 4.28Å; V227-Y229 HydrophobicContact CG1-CG 4.48Å; V227-R258 HydrophobicContact CB-CG 4.39Å; V227-R258 HydrophobicContact CG1-CB 3.63Å; V227-R258 HydrophobicContact CG1-CG 3.79Å; V227-R258 HydrophobicContact CG2-CB 4.05Å; V227-R258 HydrophobicContact CG2-CG 3.76Å
228	I	80.5	Confident	81.2	Confident	38 Å²	38	68.1 Å²	68.1	20%	0.195	34%	0.34	C	S	.	.			trans	-114.1	112.4	173.3	-66.6	-177.3	0	0	0	107.4	D210 P211 N231 P234 I235 W236	D210-I228 CarbonylContact C-O 3.59Å; D210-I228 WeakPolarHBondContact CA-O 3.48Å; P211-I228 VanDerWaalsContact CD-O 3.29Å; P211-I228 WeakPolarHBondContact CD-O 3.36Å; P211-I228 PolarHBondContact O-N 2.81Å; I228-N231 HydrophobicContact CG2-CB 4.05Å; I228-P234 HydrophobicContact CB-CB 3.9Å; I228-P234 HydrophobicContact CD1-CB 3.92Å; I228-P234 HydrophobicContact CG1-CB 4.41Å; I228-P234 HydrophobicContact CG2-CB 3.98Å; I228-I235 VanDerWaalsContact CD1-C 3.41Å; I228-I235 WeakPolarHBondContact CD1-O 3.08Å; I228-W236 HydrophobicContact CD1-CB 4.44Å; I228-W236 VanDerWaalsContact CD1-CD1 3.47Å; I228-W236 HydrophobicContact CD1-CG 3.92Å
229	Y	84.5	Confident	81.5	Confident	158 Å²	158	67.9 Å²	67.9	62%	0.62	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	138.6	-172.6	-59.7	-82.6	0	0	0	112.1	D210 V227 N231	D210-Y229 HydrophobicContact CB-CD1 4.17Å; D210-Y229 WeakPolarHBondContact OD1-CA 3.38Å; D210-Y229 WeakPolarHBondContact OD2-CD1 3.48Å; V227-Y229 HydrophobicContact CG1-CD1 4.09Å; V227-Y229 HydrophobicContact CG1-CE1 3.75Å; V227-Y229 HydrophobicContact CG1-CE2 4.28Å; V227-Y229 HydrophobicContact CG1-CG 4.48Å; Y229-N231 PolarHBondContact O-N 2.94Å
230	K	82.5	Confident	81.9	Confident	123 Å²	123	65.8 Å²	65.8	54%	0.535	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	46.4	170	-57.1	-160.3	177.1	-145.9	0	114.9	C206 T208 S209 D210	C206-K230 PolarHBondContact SG-NZ 2.8Å; T208-K230 WeakPolarHBondContact OG1-CB 3.25Å; S209-K230 CarbonylContact O-C 3.6Å; S209-K230 VanDerWaalsContact O-CA 3.25Å; S209-K230 WeakPolarHBondContact O-CA 3.27Å; S209-K230 PolarHBondContact O-N 2.98Å; S209-K230 VanDerWaalsContact O-N 3.17Å; D210-K230 PolarHBondContact OD1-N 2.82Å
231	N	85.1	Confident	82.2	Confident	56 Å²	56	62 Å²	62	30%	0.299	30%	0.304	S	S	.	.			trans	-148.2	116.2	-177.8	-174.4	8.4	0	0	0	113	S209 P211 I228 Y229 N233	S209-N231 PolarHBondContact O-N 2.82Å; P211-N231 WeakPolarHBondContact CD-O 3.31Å; P211-N231 WeakPolarHBondContact CG-O 3.44Å; I228-N231 HydrophobicContact CG2-CB 4.05Å; Y229-N231 PolarHBondContact O-N 2.94Å; N231-N233 VanDerWaalsContact C-N 3.29Å; N231-N233 PolarHBondContact ND2-O 2.69Å; N231-N233 PolarHBondContact O-N 2.83Å; N231-N233 VanDerWaalsContact OD1-C 3.32Å; N231-N233 WeakPolarHBondContact OD1-CA 3.2Å; N231-N233 PolarHBondContact OD1-N 2.59Å; N231-N233 PolarHBondContact OD1-O 2.75Å
232	L	85.4	Confident	82	Confident	42 Å²	42	59.2 Å²	59.2	22%	0.22	29%	0.287	C	S	.	.	S	Bend	trans	-79.3	-9.9	176.7	-50.2	179.8	0	0	0	113.5	N199 L200 V202 P234	N199-L232 PolarHBondContact N-O 2.84Å; L200-L232 WeakPolarHBondContact CB-O 3.41Å; L200-L232 PolarHBondContact N-O 2.82Å; V202-L232 HydrophobicContact CG2-CD1 3.48Å; V202-L232 VanDerWaalsContact CG2-CD1 3.48Å; V202-L232 HydrophobicContact CG2-CD2 3.9Å; V202-L232 HydrophobicContact CG2-CG 4.33Å; L232-P234 WeakPolarHBondContact O-CD 3.19Å
233	N	88.3	Confident	82.1	Confident	71 Å²	71	59.3 Å²	59.3	38%	0.38	29%	0.291	S	S	.	.	S	Bend	trans	-120.5	63.5	172.7	-66.9	-82	0	0	0	110.1	G197 R198 N199 N231	G197-N233 CarbonylContact O-C 3.5Å; G197-N233 VanDerWaalsContact O-CA 3.28Å; G197-N233 WeakPolarHBondContact O-CA 3.42Å; R198-N233 VanDerWaalsContact CA-OD1 3.28Å; R198-N233 WeakPolarHBondContact CA-OD1 3.39Å; N199-N233 PolarHBondContact N-OD1 3.47Å; N231-N233 VanDerWaalsContact C-N 3.29Å; N231-N233 PolarHBondContact ND2-O 2.69Å; N231-N233 PolarHBondContact O-N 2.83Å; N231-N233 VanDerWaalsContact OD1-C 3.32Å; N231-N233 WeakPolarHBondContact OD1-CA 3.2Å; N231-N233 PolarHBondContact OD1-N 2.59Å; N231-N233 PolarHBondContact OD1-O 2.75Å
234	P	89.1	Confident	81.8	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.28	C	S	.	.			trans	-72.1	133.1	-173.9	31.8	-38.2	0	0	0	111.9	E196 G197 L200 P211 I228 L232 W236	E196-P234 CarbonylContact C-O 3.56Å; E196-P234 WeakPolarHBondContact CA-O 3.38Å; E196-P234 WeakPolarHBondContact CB-O 3.47Å; G197-P234 PolarHBondContact N-O 3.28Å; L200-P234 HydrophobicContact CD1-CG 3.54Å; P211-P234 HydrophobicContact CB-CG 4.31Å; P211-P234 HydrophobicContact CG-CB 3.9Å; P211-P234 HydrophobicContact CG-CG 3.64Å; I228-P234 HydrophobicContact CB-CB 3.9Å; I228-P234 HydrophobicContact CD1-CB 3.92Å; I228-P234 HydrophobicContact CG1-CB 4.41Å; I228-P234 HydrophobicContact CG2-CB 3.98Å; L232-P234 WeakPolarHBondContact O-CD 3.19Å; P234-W236 HydrophobicContact CB-CD2 4.41Å; P234-W236 HydrophobicContact CB-CH2 4.29Å; P234-W236 HydrophobicContact CB-CZ2 3.9Å; P234-W236 HydrophobicContact CG-CE3 4.44Å; P234-W236 HydrophobicContact CG-CH2 3.44Å; P234-W236 VanDerWaalsContact CG-CH2 3.44Å; P234-W236 HydrophobicContact CG-CZ2 3.46Å; P234-W236 VanDerWaalsContact CG-CZ2 3.46Å; P234-W236 HydrophobicContact CG-CZ3 3.97Å
235	I	89	Confident	81.1	Confident	106 Å²	106	57.8 Å²	57.8	54%	0.544	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	102.1	173.2	-55.1	176	0	0	0	108.4	K195 E196 I228	K195-I235 CarbonylContact O-C 3.55Å; E196-I235 HydrophobicContact CB-CB 4.42Å; E196-I235 HydrophobicContact CB-CG1 4.06Å; I228-I235 VanDerWaalsContact CD1-C 3.41Å; I228-I235 WeakPolarHBondContact CD1-O 3.08Å
236	W	82.2	Confident	80.5	Confident	14 Å²	14	59.7 Å²	59.7	5%	0.053	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	-44.7	-178.3	-65.5	-73.7	0	0	0	112.4	L194 K195 L200 P211 V213 K226 I228 P234 E238	L194-W236 HydrophobicContact CD1-CE3 3.71Å; L194-W236 HydrophobicContact CD1-CZ3 3.97Å; L194-W236 HydrophobicContact CD2-CB 4.05Å; L194-W236 HydrophobicContact CD2-CD2 3.84Å; L194-W236 HydrophobicContact CD2-CE3 3.82Å; L194-W236 HydrophobicContact CD2-CG 3.95Å; L194-W236 HydrophobicContact CG-CB 4.08Å; L194-W236 HydrophobicContact CG-CD2 4.11Å; L194-W236 HydrophobicContact CG-CE3 3.66Å; L194-W236 HydrophobicContact CG-CG 4.31Å; L194-W236 HydrophobicContact CG-CZ3 4.4Å; K195-W236 PolarHBondContact O-N 3.21Å; L200-W236 HydrophobicContact CD1-CH2 4.14Å; P211-W236 HydrophobicContact CB-CZ2 4.21Å; V213-W236 HydrophobicContact CG2-CD2 4.41Å; V213-W236 HydrophobicContact CG2-CE3 4.26Å; V213-W236 HydrophobicContact CG2-CH2 3.45Å; V213-W236 VanDerWaalsContact CG2-CH2 3.45Å; V213-W236 HydrophobicContact CG2-CZ2 3.63Å; V213-W236 HydrophobicContact CG2-CZ3 3.78Å; K226-W236 PolarHBondContact O-NE1 3.48Å; K226-W236 VanDerWaalsContact O-NE1 3.15Å; I228-W236 HydrophobicContact CD1-CB 4.44Å; I228-W236 VanDerWaalsContact CD1-CD1 3.47Å; I228-W236 HydrophobicContact CD1-CG 3.92Å; P234-W236 HydrophobicContact CB-CD2 4.41Å; P234-W236 HydrophobicContact CB-CH2 4.29Å; P234-W236 HydrophobicContact CB-CZ2 3.9Å; P234-W236 HydrophobicContact CG-CE3 4.44Å; P234-W236 HydrophobicContact CG-CH2 3.44Å; P234-W236 VanDerWaalsContact CG-CH2 3.44Å; P234-W236 HydrophobicContact CG-CZ2 3.46Å; P234-W236 VanDerWaalsContact CG-CZ2 3.46Å; P234-W236 HydrophobicContact CG-CZ3 3.97Å; W236-E238 VanDerWaalsContact C-N 3.31Å; W236-E238 HydrophobicContact CB-CG 4.15Å; W236-E238 WeakPolarHBondContact O-CG 3.4Å; W236-E238 PolarHBondContact O-N 2.85Å
237	D	84.3	Confident	80.2	Confident	63 Å²	63	56.3 Å²	56.3	34%	0.337	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	52.4	44.9	-176.9	-162.3	24.3	0	0	0	112.8	H193 L194 K195 R334	H193-D237 IonicContact CE1-OD1 2.69Å; H193-D237 WeakPolarHBondContact NE2-CA 3.4Å; H193-D237 IonicContact NE2-OD1 2.75Å; H193-D237 PolarHBondContact NE2-OD1 3.15Å; L194-D237 WeakPolarHBondContact O-CA 2.75Å; L194-D237 PolarHBondContact O-N 3.04Å; L194-D237 VanDerWaalsContact O-N 3.15Å; K195-D237 PolarHBondContact O-N 3.1Å; D237-R334 IonicContact OD2-NH1 2.69Å; D237-R334 PolarHBondContact OD2-NH1 3.03Å
238	E	73	Confident	79.6	Confident	3 Å²	3	59.5 Å²	59.5	1%	0.014	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	132.3	-173.8	-66.5	-170.9	151	0	0	112.4	H193 L194 S225 K226 W236 L338	H193-E238 CarbonylContact C-O 3.53Å; H193-E238 WeakPolarHBondContact CA-O 3.06Å; L194-E238 PolarHBondContact N-O 1.95Å; L194-E238 PolarHBondContact O-N 3.14Å; S225-E238 WeakPolarHBondContact CA-OE2 3.5Å; S225-E238 WeakPolarHBondContact CB-OE2 3.36Å; K226-E238 WeakPolarHBondContact CB-OE1 3.42Å; K226-E238 WeakPolarHBondContact CG-OE1 3.49Å; K226-E238 PolarHBondContact N-OE1 2.82Å; K226-E238 PolarHBondContact N-OE2 2.94Å; K226-E238 VanDerWaalsContact N-OE2 3.16Å; K226-E238 IonicContact NZ-OE1 3.41Å; K226-E238 PolarHBondContact NZ-OE1 3.16Å; W236-E238 VanDerWaalsContact C-N 3.31Å; W236-E238 HydrophobicContact CB-CG 4.15Å; W236-E238 WeakPolarHBondContact O-CG 3.4Å; W236-E238 PolarHBondContact O-N 2.85Å; E238-L338 HydrophobicContact CG-CD1 4.49Å
239	I	79.9	Confident	79.5	Confident	95 Å²	95	58.7 Å²	58.7	49%	0.487	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	130.3	176.8	-54	178.1	0	0	0	109.5	T191 I192 H193	T191-I239 HydrophobicContact CG2-CG2 3.78Å; I192-I239 CarbonylContact O-C 3.53Å; I192-I239 WeakPolarHBondContact O-CA 3.47Å; H193-I239 HydrophobicContact CB-CG1 4.06Å
240	V	76.6	Confident	79.5	Confident	11 Å²	11	57.3 Å²	57.3	7%	0.067	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	142.5	-178.5	-170.3	0	0	0	0	108.3	T191 I192 Y223 L242	T191-V240 CarbonylContact C-O 3.56Å; T191-V240 WeakPolarHBondContact CA-O 3.47Å; I192-V240 HydrophobicContact CB-CB 4.4Å; I192-V240 PolarHBondContact N-O 3.33Å; I192-V240 PolarHBondContact O-N 3.32Å; Y223-V240 HydrophobicContact CD1-CG1 4.38Å; Y223-V240 HydrophobicContact CD1-CG2 3.58Å; Y223-V240 HydrophobicContact CD2-CB 4.49Å; Y223-V240 HydrophobicContact CD2-CG1 3.68Å; Y223-V240 HydrophobicContact CD2-CG2 3.94Å; Y223-V240 HydrophobicContact CE1-CG2 3.44Å; Y223-V240 VanDerWaalsContact CE1-CG2 3.44Å; Y223-V240 HydrophobicContact CE2-CG1 4.22Å; Y223-V240 HydrophobicContact CE2-CG2 3.84Å; Y223-V240 HydrophobicContact CG-CB 4.47Å; Y223-V240 HydrophobicContact CG-CG1 3.77Å; Y223-V240 HydrophobicContact CG-CG2 3.81Å; V240-L242 HydrophobicContact CG1-CD2 3.87Å; V240-L242 HydrophobicContact CG1-CG 4.1Å
241	V	78.1	Confident	79.7	Confident	79 Å²	79	51.4 Å²	51.4	48%	0.479	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	125.6	175.8	-175.8	0	0	0	0	108.8	L189 L190 T191	L189-V241 HydrophobicContact CD1-CG1 3.56Å; L189-V241 HydrophobicContact CD2-CG1 3.89Å; L189-V241 HydrophobicContact CG-CG1 3.61Å; L190-V241 WeakPolarHBondContact O-CA 3.26Å; T191-V241 HydrophobicContact CG2-CG2 4.24Å
242	L	73.2	Confident	79.9	Confident	13 Å²	13	53.8 Å²	53.8	7%	0.068	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	126.1	-175	-58.5	179.3	0	0	0	110.2	L190 I192 L222 V240	L190-L242 PolarHBondContact N-O 2.83Å; L190-L242 PolarHBondContact O-N 3.29Å; I192-L242 HydrophobicContact CD1-CD1 3.66Å; I192-L242 HydrophobicContact CD1-CG 4.5Å; L222-L242 HydrophobicContact CB-CD1 4.29Å; L222-L242 HydrophobicContact CB-CD2 3.97Å; L222-L242 HydrophobicContact CD1-CD1 3.98Å; L222-L242 HydrophobicContact CD1-CD2 4.32Å; V240-L242 HydrophobicContact CG1-CD2 3.87Å; V240-L242 HydrophobicContact CG1-CG 4.1Å
243	P	77.2	Confident	80.2	Confident	77 Å²	77	51.8 Å²	51.8	50%	0.5	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	139.2	169.5	31.1	-33.1	0	0	0	110	F186	F186-P243 HydrophobicContact CB-CB 4.23Å; F186-P243 HydrophobicContact CD2-CB 4.06Å; F186-P243 HydrophobicContact CG-CB 4.24Å
244	I	73.7	Confident	80.4	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	135.7	-176.8	-57.5	-164	0	0	0	110.5	A187 Y188 L190 L217 S246 L273	A187-I244 PolarHBondContact N-O 2.81Å; Y188-I244 PolarHBondContact N-O 2.89Å; Y188-I244 PolarHBondContact O-N 3.44Å; L190-I244 HydrophobicContact CB-CD1 3.52Å; L190-I244 HydrophobicContact CB-CG1 4.11Å; L190-I244 HydrophobicContact CD2-CD1 3.71Å; L190-I244 HydrophobicContact CG-CD1 4.23Å; L217-I244 HydrophobicContact CD1-CD1 4.04Å; L217-I244 HydrophobicContact CD1-CG1 4.44Å; I244-S246 WeakPolarHBondContact CG2-O 3.41Å; I244-L273 HydrophobicContact CD1-CD1 3.56Å; I244-L273 HydrophobicContact CD1-CD2 4.42Å; I244-L273 HydrophobicContact CG2-CD1 4.14Å
245	Q	68.4	Low	80.6	Confident	129 Å²	129	50.2 Å²	50.2	60%	0.603	26%	0.255	S	S	*	.	S	Bend	trans	-89.8	-44.6	-174.5	-54.2	-171	-61	0	0	112	P185	P185-Q245 WeakPolarHBondContact O-CG 3.48Å; P185-Q245 PolarHBondContact O-NE2 2.94Å
246	S	71.7	Confident	80.7	Confident	46 Å²	46	47 Å²	47	32%	0.322	24%	0.237	S	C	.	.			trans	-139.7	144.2	178.4	58.4	0	0	0	0	112.2	I244 D248 Q249	I244-S246 WeakPolarHBondContact CG2-O 3.41Å; S246-D248 VanDerWaalsContact C-N 3.25Å; S246-D248 PolarHBondContact O-N 2.94Å; S246-Q249 PolarHBondContact OG-NE2 3.27Å; S246-Q249 VanDerWaalsContact OG-NE2 3.12Å
247	L	76	Confident	81.1	Confident	30 Å²	30	46.4 Å²	46.4	16%	0.157	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-12.4	-178.8	-56.1	-172.3	0	0	0	113.3	Y188 Q249 L273 R274 L307	Y188-L247 HydrophobicContact CD1-CD1 4.43Å; Y188-L247 HydrophobicContact CD1-CD2 3.92Å; Y188-L247 HydrophobicContact CD1-CG 4.46Å; Y188-L247 HydrophobicContact CD2-CD2 3.62Å; Y188-L247 HydrophobicContact CD2-CG 4.06Å; Y188-L247 HydrophobicContact CE1-CD1 3.87Å; Y188-L247 HydrophobicContact CE1-CD2 4.12Å; Y188-L247 HydrophobicContact CE1-CG 4.16Å; Y188-L247 HydrophobicContact CE2-CD1 4.27Å; Y188-L247 HydrophobicContact CE2-CD2 3.85Å; Y188-L247 HydrophobicContact CE2-CG 3.74Å; Y188-L247 HydrophobicContact CG-CD2 3.67Å; Y188-L247 HydrophobicContact CG-CG 4.42Å; L247-Q249 PolarHBondContact O-N 2.69Å; L247-Q249 VanDerWaalsContact O-N 3.09Å; L247-L273 CarbonylContact O-C 3.56Å; L247-L273 WeakPolarHBondContact O-CB 3.35Å; L247-R274 HydrophobicContact CB-CG 4.35Å; L247-R274 VanDerWaalsContact O-CG 3.26Å; L247-R274 WeakPolarHBondContact O-CG 3.3Å; L247-R274 PolarHBondContact O-N 2.85Å; L247-R274 VanDerWaalsContact O-N 3.12Å; L247-L307 HydrophobicContact CD1-CD2 4.28Å; L247-L307 HydrophobicContact CD2-CD1 4.11Å; L247-L307 HydrophobicContact CD2-CD2 3.66Å; L247-L307 HydrophobicContact CD2-CG 4.38Å
248	D	73.9	Confident	81.2	Confident	94 Å²	94	48.8 Å²	48.8	50%	0.503	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-15.3	176.5	-69.9	53.6	0	0	0	114.2	S246 R274	S246-D248 VanDerWaalsContact C-N 3.25Å; S246-D248 PolarHBondContact O-N 2.94Å; D248-R274 IonicContact OD1-CZ 3.74Å; D248-R274 IonicContact OD1-NH1 3.13Å; D248-R274 PolarHBondContact OD1-NH1 3.17Å; D248-R274 VanDerWaalsContact OD1-NH1 3.13Å; D248-R274 IonicContact OD1-NH2 3.97Å; D248-R274 IonicContact OD2-CZ 3.11Å; D248-R274 IonicContact OD2-NH1 2.76Å; D248-R274 PolarHBondContact OD2-NH1 3.18Å; D248-R274 IonicContact OD2-NH2 2.7Å; D248-R274 PolarHBondContact OD2-NH2 2.94Å
249	Q	76.5	Confident	81.6	Confident	21 Å²	21	50.4 Å²	50.4	10%	0.098	25%	0.247	C	C	.	.			trans	-82.5	149.2	-172.9	-59	173.1	0.2	0	0	111.8	N218 S246 L247 L273	N218-Q249 PolarHBondContact ND2-NE2 3.16Å; N218-Q249 VanDerWaalsContact ND2-NE2 3.14Å; S246-Q249 PolarHBondContact OG-NE2 3.27Å; S246-Q249 VanDerWaalsContact OG-NE2 3.12Å; L247-Q249 PolarHBondContact O-N 2.69Å; L247-Q249 VanDerWaalsContact O-N 3.09Å; Q249-L273 HydrophobicContact CB-CD1 4.21Å; Q249-L273 WeakPolarHBondContact O-CG 3.31Å; Q249-L273 PolarHBondContact O-N 3.31Å
250	K	84.8	Confident	81	Confident	129 Å²	129	54.5 Å²	54.5	56%	0.561	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.5	118.1	174.9	-59	-169.2	-178.6	-173.9	0	110.2	R252 V271 V272	K250-R252 PolarHBondContact O-N 3.04Å; K250-V271 CarbonylContact C-O 3.39Å; K250-V271 WeakPolarHBondContact CA-O 3.5Å; K250-V272 HydrophobicContact CD-CG2 4.23Å; K250-V272 HydrophobicContact CG-CG2 4.23Å
251	L	87.8	Confident	80.5	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	112.5	170.3	176.5	69.3	0	0	0	108.4	L190 I192 F215 F270 V271 L273 L305	L190-L251 HydrophobicContact CD2-CD2 4.1Å; I192-L251 HydrophobicContact CD1-CD1 4.26Å; I192-L251 HydrophobicContact CD1-CD2 3.77Å; F215-L251 HydrophobicContact CB-CD1 4.29Å; F215-L251 HydrophobicContact CD1-CD1 4.23Å; F215-L251 HydrophobicContact CD1-CD2 4.41Å; F215-L251 HydrophobicContact CD1-CG 4.49Å; L251-F270 CarbonylContact O-C 3.48Å; L251-F270 WeakPolarHBondContact O-CA 3.39Å; L251-V271 HydrophobicContact CB-CB 4.45Å; L251-V271 PolarHBondContact N-O 3.33Å; L251-V271 PolarHBondContact O-N 3.02Å; L251-L273 HydrophobicContact CB-CD2 4.08Å; L251-L273 HydrophobicContact CB-CG 4.46Å; L251-L305 HydrophobicContact CD2-CD2 4.4Å
252	R	88.9	Confident	80.3	Confident	106 Å²	106	64.4 Å²	64.4	40%	0.4	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	119.5	176.6	-167.9	-171.2	-50.2	-140.6	6.3	109.6	K216 K250 K254 F270	K216-R252 HydrophobicContact CB-CB 4.25Å; K216-R252 PolarHBondContact N-O 2.86Å; K216-R252 PolarHBondContact O-N 2.86Å; K250-R252 PolarHBondContact O-N 3.04Å; R252-K254 HydrophobicContact CG-CG 4.38Å; R252-F270 HydrophobicContact CB-CD1 4.04Å; R252-F270 HydrophobicContact CB-CE1 4.12Å; R252-F270 HydrophobicContact CG-CD1 3.84Å; R252-F270 HydrophobicContact CG-CE1 3.6Å; R252-F270 HydrophobicContact CG-CE2 4.45Å; R252-F270 HydrophobicContact CG-CG 4.4Å; R252-F270 HydrophobicContact CG-CZ 3.93Å; R252-F270 VanDerWaalsContact CZ-CE1 3.47Å; R252-F270 VanDerWaalsContact NE-CE1 3.31Å
253	V	92.3	Very high	80.8	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	131.9	174.9	-164.6	0	0	0	0	107.9	V213 F215 S268 A269 L286 I301 L303	V213-V253 HydrophobicContact CG1-CG1 3.4Å; F215-V253 HydrophobicContact CD1-CB 4.48Å; F215-V253 HydrophobicContact CD1-CG1 4.12Å; F215-V253 HydrophobicContact CD1-CG2 3.98Å; F215-V253 HydrophobicContact CE1-CB 4.4Å; F215-V253 HydrophobicContact CE1-CG1 3.74Å; F215-V253 HydrophobicContact CE1-CG2 3.86Å; F215-V253 HydrophobicContact CZ-CG1 4.41Å; V253-S268 CarbonylContact O-C 3.58Å; V253-S268 WeakPolarHBondContact O-CA 3.28Å; V253-S268 WeakPolarHBondContact O-CB 3.36Å; V253-A269 PolarHBondContact N-O 2.87Å; V253-A269 PolarHBondContact O-N 2.81Å; V253-L286 HydrophobicContact CG2-CD1 4.04Å; V253-I301 HydrophobicContact CB-CD1 4.43Å; V253-I301 HydrophobicContact CG1-CD1 3.46Å; V253-I301 VanDerWaalsContact CG1-CD1 3.46Å; V253-L303 HydrophobicContact CG2-CD2 4.28Å
254	K	92.6	Very high	81.2	Confident	37 Å²	37	64.4 Å²	64.4	16%	0.161	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	130.3	177.4	-70.5	-144	149.9	-138.9	0	111.1	V213 K214 R252 Y256 F265	V213-K254 CarbonylContact C-O 3.54Å; V213-K254 WeakPolarHBondContact CA-O 3.47Å; K214-K254 PolarHBondContact N-O 3.38Å; K214-K254 PolarHBondContact O-N 3.4Å; R252-K254 HydrophobicContact CG-CG 4.38Å; K254-Y256 HydrophobicContact CB-CD2 4.24Å; K254-Y256 HydrophobicContact CB-CE2 3.53Å; K254-Y256 HydrophobicContact CD-CE2 4.22Å; K254-Y256 WeakPolarHBondContact CD-OH 3.45Å; K254-Y256 HydrophobicContact CG-CE2 4.48Å; K254-F265 HydrophobicContact CB-CE2 4.12Å; K254-F265 HydrophobicContact CD-CD2 4.41Å; K254-F265 HydrophobicContact CD-CE2 3.65Å; K254-F265 HydrophobicContact CD-CZ 4.22Å; K254-F265 HydrophobicContact CG-CE2 4.15Å; K254-F265 VanDerWaalsContact NZ-CE2 3.34Å
255	V	92.8	Very high	82	Confident	0 Å²	0	66 Å²	66	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	144.7	173.6	-166.9	0	0	0	0	110	L200 P211 Y212 V213 F265 M266 G267 L288 I301	L200-V255 HydrophobicContact CD1-CG1 4.29Å; P211-V255 HydrophobicContact CB-CG1 4.19Å; Y212-V255 WeakPolarHBondContact O-CA 3.35Å; V213-V255 HydrophobicContact CG2-CG2 4.39Å; V255-F265 VanDerWaalsContact O-CD2 3.28Å; V255-F265 WeakPolarHBondContact O-CD2 3.42Å; V255-M266 HydrophobicContact CB-CB 3.97Å; V255-M266 HydrophobicContact CG1-CB 3.91Å; V255-M266 HydrophobicContact CG1-CG 4.43Å; V255-M266 HydrophobicContact CG1-SD 3.86Å; V255-M266 PolarHBondContact O-N 3.07Å; V255-G267 PolarHBondContact N-O 3.32Å; V255-L288 HydrophobicContact CB-CD1 4.28Å; V255-L288 HydrophobicContact CG2-CD1 3.61Å; V255-L288 HydrophobicContact CG2-CD2 3.84Å; V255-L288 HydrophobicContact CG2-CG 4.4Å; V255-I301 HydrophobicContact CG2-CD1 3.54Å; V255-I301 HydrophobicContact CG2-CG1 4.02Å
256	Y	91.6	Very high	82.8	Confident	39 Å²	39	59.9 Å²	59.9	15%	0.153	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	146.5	-179.4	-72	-87.6	0	0	0	110.5	P211 Y212 K214 K254 D264 F265	P211-Y256 CarbonylContact C-O 3.49Å; P211-Y256 WeakPolarHBondContact CA-O 3.28Å; Y212-Y256 WeakPolarHBondContact CD1-O 3.25Å; Y212-Y256 PolarHBondContact N-O 2.81Å; Y212-Y256 PolarHBondContact O-N 2.83Å; K214-Y256 HydrophobicContact CB-CE2 4.34Å; K214-Y256 HydrophobicContact CD-CD2 3.66Å; K214-Y256 HydrophobicContact CD-CE2 3.49Å; K214-Y256 VanDerWaalsContact CD-CE2 3.49Å; K214-Y256 VanDerWaalsContact CE-CD2 3.44Å; K214-Y256 HydrophobicContact CG-CD2 3.98Å; K214-Y256 HydrophobicContact CG-CE2 4.09Å; K214-Y256 VanDerWaalsContact NZ-CD2 3.26Å; K214-Y256 VanDerWaalsContact NZ-CE2 3.34Å; K254-Y256 HydrophobicContact CB-CD2 4.24Å; K254-Y256 HydrophobicContact CB-CE2 3.53Å; K254-Y256 HydrophobicContact CD-CE2 4.22Å; K254-Y256 WeakPolarHBondContact CD-OH 3.45Å; K254-Y256 HydrophobicContact CG-CE2 4.48Å; Y256-D264 CarbonylContact C-O 3.57Å; Y256-D264 WeakPolarHBondContact CA-O 3.1Å; Y256-D264 WeakPolarHBondContact CD1-O 3.42Å; Y256-F265 HydrophobicContact CD1-CB 4.34Å; Y256-F265 HydrophobicContact CD1-CD2 4.27Å; Y256-F265 HydrophobicContact CE1-CB 4.15Å; Y256-F265 AromaticContact CE1-CD2 3.83Å; Y256-F265 HydrophobicContact CE1-CD2 3.83Å; Y256-F265 HydrophobicContact CE1-CG 4.4Å; Y256-F265 HydrophobicContact CE2-CD2 4.41Å; Y256-F265 AromaticContact CZ-CD2 3.9Å
257	D	89.9	Confident	83.6	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.011	28%	0.277	C	S	.	.			trans	-83.3	161	169.1	-150.5	-21.1	0	0	0	110.3	S209 D210 Y212 S263 D264 M266	S209-D257 WeakPolarHBondContact CB-OD2 3.41Å; S209-D257 PolarHBondContact OG-OD2 2.92Å; D210-D257 WeakPolarHBondContact CA-OD1 3.28Å; D210-D257 PolarHBondContact N-OD1 2.79Å; Y212-D257 WeakPolarHBondContact CE1-O 3.18Å; D257-S263 VanDerWaalsContact O-CA 3.25Å; D257-S263 WeakPolarHBondContact O-CA 3.43Å; D257-S263 WeakPolarHBondContact O-CB 3.19Å; D257-S263 PolarHBondContact O-OG 2.94Å; D257-D264 HydrophobicContact CB-CB 4.36Å; D257-D264 PolarHBondContact N-O 2.81Å; D257-M266 HydrophobicContact CB-CG 4.17Å; D257-M266 HydrophobicContact CB-SD 3.91Å; D257-M266 PolarHBondContact N-SD 3.15Å; D257-M266 VanDerWaalsContact N-SD 3.44Å
258	R	86.8	Confident	84.4	Confident	113 Å²	113	56.7 Å²	56.7	43%	0.426	27%	0.273	S	S	.	.			trans	-114	58.6	-172.6	-173.8	42.3	178	163.6	4.6	114.3	D210 Y212 V227	D210-R258 HydrophobicContact CB-CB 3.79Å; D210-R258 WeakPolarHBondContact O-CB 3.39Å; D210-R258 PolarHBondContact O-N 3.42Å; Y212-R258 HydrophobicContact CD1-CB 4.19Å; Y212-R258 HydrophobicContact CE1-CB 4.23Å; V227-R258 HydrophobicContact CB-CG 4.39Å; V227-R258 HydrophobicContact CG1-CB 3.63Å; V227-R258 HydrophobicContact CG1-CG 3.79Å; V227-R258 HydrophobicContact CG2-CB 4.05Å; V227-R258 HydrophobicContact CG2-CG 3.76Å
259	D	81.7	Confident	85.2	Confident	36 Å²	36	52.5 Å²	52.5	19%	0.193	25%	0.251	C	S	.	.			trans	-59.9	153.6	172.3	-45.4	-88.1	0	0	0	113.8	T261 K262 S263 D264	D259-T261 VanDerWaalsContact C-N 3.27Å; D259-T261 PolarHBondContact O-N 3.2Å; D259-K262 WeakPolarHBondContact CB-O 3.36Å; D259-S263 VanDerWaalsContact OD2-CA 3.29Å; D259-S263 WeakPolarHBondContact OD2-CA 3Å; D259-D264 PolarHBondContact OD2-N 2.82Å
260	L	66.3	Low	85.9	Confident	181 Å²	181	56.1 Å²	56.1	95%	0.948	27%	0.267	S	S	*	.	S	Bend	trans	-63.2	-29.8	177.1	-90	72.4	0	0	0	113.4
261	T	66.1	Low	86.1	Confident	139 Å²	139	50.3 Å²	50.3	85%	0.853	24%	0.242	S	C	*	.	S	Bend	trans	-107.6	-54.3	-171.5	51.7	0	0	0	0	112.5	D259	D259-T261 VanDerWaalsContact C-N 3.27Å; D259-T261 PolarHBondContact O-N 3.2Å
262	K	73.9	Confident	86.1	Confident	160 Å²	160	52.1 Å²	52.1	70%	0.696	25%	0.253	S	S	*	.	S	Bend	trans	-152.2	117.1	-179	177.7	-165.6	172.5	-162.2	0	109.2	D259 D264	D259-K262 WeakPolarHBondContact CB-O 3.36Å; K262-D264 PolarHBondContact O-N 2.96Å
263	S	84.4	Confident	85.9	Confident	20 Å²	20	47.1 Å²	47.1	14%	0.14	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-50.9	117.5	172.9	-81.1	0	0	0	0	113	Y212 D257 D259	Y212-S263 WeakPolarHBondContact CE1-OG 3.41Å; Y212-S263 WeakPolarHBondContact OH-CB 3.4Å; Y212-S263 PolarHBondContact OH-OG 2.85Å; D257-S263 VanDerWaalsContact O-CA 3.25Å; D257-S263 WeakPolarHBondContact O-CA 3.43Å; D257-S263 WeakPolarHBondContact O-CB 3.19Å; D257-S263 PolarHBondContact O-OG 2.94Å; D259-S263 VanDerWaalsContact OD2-CA 3.29Å; D259-S263 WeakPolarHBondContact OD2-CA 3Å
264	D	85.8	Confident	85.3	Confident	69 Å²	69	53.9 Å²	53.9	37%	0.369	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-69.9	159.1	167.6	-87.8	-13.6	0	0	0	112.1	R203 Y256 D257 D259 K262	R203-D264 HydrophobicContact CB-CB 4.36Å; Y256-D264 CarbonylContact C-O 3.57Å; Y256-D264 WeakPolarHBondContact CA-O 3.1Å; Y256-D264 WeakPolarHBondContact CD1-O 3.42Å; D257-D264 HydrophobicContact CB-CB 4.36Å; D257-D264 PolarHBondContact N-O 2.81Å; D259-D264 PolarHBondContact OD2-N 2.82Å; K262-D264 PolarHBondContact O-N 2.96Å
265	F	88.9	Confident	84.8	Confident	35 Å²	35	57.6 Å²	57.6	15%	0.154	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	126.5	-172.8	176.4	-122	0	0	0	110.5	R203 K254 V255 Y256 G267 D290	R203-F265 PolarHBondContact NH1-O 3.29Å; K254-F265 HydrophobicContact CB-CE2 4.12Å; K254-F265 HydrophobicContact CD-CD2 4.41Å; K254-F265 HydrophobicContact CD-CE2 3.65Å; K254-F265 HydrophobicContact CD-CZ 4.22Å; K254-F265 HydrophobicContact CG-CE2 4.15Å; K254-F265 VanDerWaalsContact NZ-CE2 3.34Å; V255-F265 VanDerWaalsContact O-CD2 3.28Å; V255-F265 WeakPolarHBondContact O-CD2 3.42Å; Y256-F265 HydrophobicContact CD1-CB 4.34Å; Y256-F265 HydrophobicContact CD1-CD2 4.27Å; Y256-F265 HydrophobicContact CE1-CB 4.15Å; Y256-F265 AromaticContact CE1-CD2 3.83Å; Y256-F265 HydrophobicContact CE1-CD2 3.83Å; Y256-F265 HydrophobicContact CE1-CG 4.4Å; Y256-F265 HydrophobicContact CE2-CD2 4.41Å; Y256-F265 AromaticContact CZ-CD2 3.9Å; F265-G267 VanDerWaalsContact CE2-C 3.41Å; F265-G267 WeakPolarHBondContact CE2-O 3.44Å; F265-G267 VanDerWaalsContact CZ-CA 3.44Å; F265-G267 WeakPolarHBondContact CZ-O 3.43Å; F265-D290 HydrophobicContact CD1-CB 4.31Å; F265-D290 VanDerWaalsContact CD1-OD2 3.31Å; F265-D290 WeakPolarHBondContact CD1-OD2 3.25Å; F265-D290 HydrophobicContact CE1-CB 3.83Å; F265-D290 VanDerWaalsContact CE1-CG 3.44Å
266	M	85.3	Confident	84.3	Confident	0 Å²	0	58 Å²	58	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	26.5	-174.2	-51.4	171.7	83.6	0	0	111.9	L200 V201 S209 P211 V255 D257	L200-M266 HydrophobicContact CB-CE 4.11Å; V201-M266 WeakPolarHBondContact O-CE 3.12Å; S209-M266 VanDerWaalsContact CB-CE 3.48Å; P211-M266 HydrophobicContact CB-CE 4.14Å; P211-M266 HydrophobicContact CB-SD 3.85Å; V255-M266 HydrophobicContact CB-CB 3.97Å; V255-M266 HydrophobicContact CG1-CB 3.91Å; V255-M266 HydrophobicContact CG1-CG 4.43Å; V255-M266 HydrophobicContact CG1-SD 3.86Å; V255-M266 PolarHBondContact O-N 3.07Å; D257-M266 HydrophobicContact CB-CG 4.17Å; D257-M266 HydrophobicContact CB-SD 3.91Å; D257-M266 PolarHBondContact N-SD 3.15Å; D257-M266 VanDerWaalsContact N-SD 3.44Å
267	G	89.8	Confident	83.6	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	93.1	170.5	179.5	0	0	0	0	0	115.7	V255 F265	V255-G267 PolarHBondContact N-O 3.32Å; F265-G267 VanDerWaalsContact CE2-C 3.41Å; F265-G267 WeakPolarHBondContact CE2-O 3.44Å; F265-G267 VanDerWaalsContact CZ-CA 3.44Å; F265-G267 WeakPolarHBondContact CZ-O 3.43Å
268	S	92.1	Very high	83.1	Confident	10 Å²	10	65 Å²	65	7%	0.07	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	155.6	-175.6	55	0	0	0	0	113.7	V253 E289	V253-S268 CarbonylContact O-C 3.58Å; V253-S268 WeakPolarHBondContact O-CA 3.28Å; V253-S268 WeakPolarHBondContact O-CB 3.36Å; S268-E289 PolarHBondContact N-O 3.15Å; S268-E289 PolarHBondContact O-N 3.06Å; S268-E289 PolarHBondContact OG-O 2.88Å
269	A	92.1	Very high	82.5	Confident	6 Å²	6	64.7 Å²	64.7	5%	0.05	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	167.5	174.3	0	0	0	0	0	110.7	V253 L286 K287 L288	V253-A269 PolarHBondContact N-O 2.87Å; V253-A269 PolarHBondContact O-N 2.81Å; A269-L286 HydrophobicContact CB-CB 3.77Å; A269-L286 HydrophobicContact CB-CD1 4.05Å; A269-L286 HydrophobicContact CB-CG 4.45Å; A269-K287 WeakPolarHBondContact CB-O 3.36Å; A269-L288 HydrophobicContact CB-CD2 4.31Å
270	F	90.4	Very high	82.5	Confident	96 Å²	96	69.7 Å²	69.7	42%	0.421	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	140.7	179.4	-61.7	-105.3	0	0	0	110.1	L251 R252	L251-F270 CarbonylContact O-C 3.48Å; L251-F270 WeakPolarHBondContact O-CA 3.39Å; R252-F270 HydrophobicContact CB-CD1 4.04Å; R252-F270 HydrophobicContact CB-CE1 4.12Å; R252-F270 HydrophobicContact CG-CD1 3.84Å; R252-F270 HydrophobicContact CG-CE1 3.6Å; R252-F270 HydrophobicContact CG-CE2 4.45Å; R252-F270 HydrophobicContact CG-CG 4.4Å; R252-F270 HydrophobicContact CG-CZ 3.93Å; R252-F270 VanDerWaalsContact CZ-CE1 3.47Å; R252-F270 VanDerWaalsContact NE-CE1 3.31Å
271	V	89.3	Confident	83.3	Confident	8 Å²	8	64.9 Å²	64.9	5%	0.048	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	130.2	168.8	-172.3	0	0	0	0	108.6	K250 L251 L276 L286 L305	K250-V271 CarbonylContact C-O 3.39Å; K250-V271 WeakPolarHBondContact CA-O 3.5Å; L251-V271 HydrophobicContact CB-CB 4.45Å; L251-V271 PolarHBondContact N-O 3.33Å; L251-V271 PolarHBondContact O-N 3.02Å; V271-L276 HydrophobicContact CG1-CD2 4.11Å; V271-L286 HydrophobicContact CG2-CD1 3.59Å; V271-L286 HydrophobicContact CG2-CD2 3.92Å; V271-L286 HydrophobicContact CG2-CG 4.4Å; V271-L305 HydrophobicContact CB-CD1 4.37Å; V271-L305 HydrophobicContact CG1-CD1 3.79Å; V271-L305 HydrophobicContact CG2-CD1 4.23Å
272	V	87.2	Confident	84.1	Confident	38 Å²	38	59.5 Å²	59.5	23%	0.23	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	125.8	173	-179	0	0	0	0	107.9	K250 R274 D275	K250-V272 HydrophobicContact CD-CG2 4.23Å; K250-V272 HydrophobicContact CG-CG2 4.23Å; V272-R274 VanDerWaalsContact C-N 3.32Å; V272-R274 HydrophobicContact CG1-CB 4.15Å; V272-R274 HydrophobicContact CG1-CG 4.15Å; V272-R274 PolarHBondContact O-N 3.42Å; V272-D275 WeakPolarHBondContact CB-OD2 3.4Å; V272-D275 PolarHBondContact O-N 3.07Å
273	L	84.4	Confident	84.9	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-78.2	-16.9	-171.8	-62.8	172.7	0	0	0	113.8	L190 L217 I244 L247 Q249 L251 D275 L276	L190-L273 HydrophobicContact CD2-CD2 3.82Å; L217-L273 HydrophobicContact CD1-CD1 4.13Å; I244-L273 HydrophobicContact CD1-CD1 3.56Å; I244-L273 HydrophobicContact CD1-CD2 4.42Å; I244-L273 HydrophobicContact CG2-CD1 4.14Å; L247-L273 CarbonylContact O-C 3.56Å; L247-L273 WeakPolarHBondContact O-CB 3.35Å; Q249-L273 HydrophobicContact CB-CD1 4.21Å; Q249-L273 WeakPolarHBondContact O-CG 3.31Å; Q249-L273 PolarHBondContact O-N 3.31Å; L251-L273 HydrophobicContact CB-CD2 4.08Å; L251-L273 HydrophobicContact CB-CG 4.46Å; L273-D275 PolarHBondContact O-N 2.92Å; L273-L276 HydrophobicContact CD2-CD1 3.67Å
274	R	80.1	Confident	85	Confident	142 Å²	142	58.5 Å²	58.5	54%	0.536	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-62.8	-30	169.2	-50.3	-174.6	-155.6	-101.1	-1.1	112.8	L247 D248 V272 L276	L247-R274 HydrophobicContact CB-CG 4.35Å; L247-R274 VanDerWaalsContact O-CG 3.26Å; L247-R274 WeakPolarHBondContact O-CG 3.3Å; L247-R274 PolarHBondContact O-N 2.85Å; L247-R274 VanDerWaalsContact O-N 3.12Å; D248-R274 IonicContact OD1-CZ 3.74Å; D248-R274 IonicContact OD1-NH1 3.13Å; D248-R274 PolarHBondContact OD1-NH1 3.17Å; D248-R274 VanDerWaalsContact OD1-NH1 3.13Å; D248-R274 IonicContact OD1-NH2 3.97Å; D248-R274 IonicContact OD2-CZ 3.11Å; D248-R274 IonicContact OD2-NH1 2.76Å; D248-R274 PolarHBondContact OD2-NH1 3.18Å; D248-R274 IonicContact OD2-NH2 2.7Å; D248-R274 PolarHBondContact OD2-NH2 2.94Å; V272-R274 VanDerWaalsContact C-N 3.32Å; V272-R274 HydrophobicContact CG1-CB 4.15Å; V272-R274 HydrophobicContact CG1-CG 4.15Å; V272-R274 PolarHBondContact O-N 3.42Å; R274-L276 PolarHBondContact O-N 2.92Å
275	D	81.6	Confident	85.3	Confident	115 Å²	115	60.3 Å²	60.3	62%	0.615	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-86.7	3.1	-168.9	-53	0.7	0	0	0	111.7	V272 L273	V272-D275 WeakPolarHBondContact CB-OD2 3.4Å; V272-D275 PolarHBondContact O-N 3.07Å; L273-D275 PolarHBondContact O-N 2.92Å
276	L	81.8	Confident	85.4	Confident	10 Å²	10	59.7 Å²	59.7	5%	0.052	29%	0.291	C	S	.	.	S	Bend	trans	-93.8	126.1	-180	-60.5	179.6	0	0	0	111.2	L190 V271 L273 R274 L278 H284 L305 L307	L190-L276 HydrophobicContact CD1-CD1 3.76Å; V271-L276 HydrophobicContact CG1-CD2 4.11Å; L273-L276 HydrophobicContact CD2-CD1 3.67Å; R274-L276 PolarHBondContact O-N 2.92Å; L276-L278 PolarHBondContact O-N 2.98Å; L276-H284 VanDerWaalsContact CD2-CE1 3.4Å; L276-H284 WeakPolarHBondContact CD2-CE1 3.43Å; L276-H284 WeakPolarHBondContact CD2-NE2 3.19Å; L276-L305 HydrophobicContact CD1-CB 4.27Å; L276-L305 HydrophobicContact CD1-CD1 4.08Å; L276-L305 HydrophobicContact CD2-CB 4.11Å; L276-L305 HydrophobicContact CD2-CD1 3.76Å; L276-L307 HydrophobicContact CB-CB 4.27Å; L276-L307 HydrophobicContact CB-CD2 4Å; L276-L307 HydrophobicContact CD1-CB 4.48Å
277	E	77.8	Confident	85.6	Confident	102 Å²	102	67.2 Å²	67.2	48%	0.477	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-62.5	125.6	173.5	-70.7	-173.2	-139.8	0	0	111.8	R280 T282	E277-R280 HydrophobicContact CB-CB 4.03Å; E277-R280 PolarHBondContact O-N 2.87Å; E277-R280 IonicContact OE1-CZ 3.94Å; E277-R280 IonicContact OE1-NH1 2.94Å; E277-R280 PolarHBondContact OE1-NH1 2.95Å; E277-R280 WeakPolarHBondContact OE2-CD 3.35Å; E277-R280 IonicContact OE2-CZ 3.59Å; E277-R280 IonicContact OE2-NE 3.69Å; E277-R280 IonicContact OE2-NH1 2.71Å; E277-R280 PolarHBondContact OE2-NH1 2.79Å; E277-T282 HydrophobicContact CB-CG2 4.45Å
278	L	80.4	Confident	85.7	Confident	84 Å²	84	67.6 Å²	67.6	44%	0.44	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	-66.5	137.8	179.7	-67.1	172.7	0	0	0	111.8	Y188 L276 R280 L307 V309	Y188-L278 HydrophobicContact CD1-CD2 4.14Å; Y188-L278 HydrophobicContact CE1-CD2 4.12Å; L276-L278 PolarHBondContact O-N 2.98Å; L278-R280 PolarHBondContact O-N 2.87Å; L278-L307 CarbonylContact C-O 3.54Å; L278-L307 WeakPolarHBondContact CA-O 3.2Å; L278-L307 HydrophobicContact CD2-CB 4.4Å; L278-L307 HydrophobicContact CD2-CD2 3.63Å; L278-L307 HydrophobicContact CD2-CG 3.75Å; L278-V309 HydrophobicContact CD1-CG2 3.97Å; L278-V309 HydrophobicContact CD2-CG2 3.93Å; L278-V309 HydrophobicContact CG-CG2 4.4Å
279	N	73.9	Confident	85.5	Confident	108 Å²	108	73.4 Å²	73.4	58%	0.578	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	17.4	-178.2	-56.2	-34.4	0	0	0	115.3	L307 V308	N279-L307 PolarHBondContact N-O 2.76Å; N279-V308 WeakPolarHBondContact OD1-CA 3.19Å
280	R	80.3	Confident	85.1	Confident	140 Å²	140	74.3 Å²	74.3	53%	0.528	36%	0.355	S	S	.	.			trans	-123.6	133.4	178.5	-168.4	-176.7	-175.9	-178.1	-3	111.6	E277 L278 T282 N306	E277-R280 HydrophobicContact CB-CB 4.03Å; E277-R280 PolarHBondContact O-N 2.87Å; E277-R280 IonicContact OE1-CZ 3.94Å; E277-R280 IonicContact OE1-NH1 2.94Å; E277-R280 PolarHBondContact OE1-NH1 2.95Å; E277-R280 WeakPolarHBondContact OE2-CD 3.35Å; E277-R280 IonicContact OE2-CZ 3.59Å; E277-R280 IonicContact OE2-NE 3.69Å; E277-R280 IonicContact OE2-NH1 2.71Å; E277-R280 PolarHBondContact OE2-NH1 2.79Å; L278-R280 PolarHBondContact O-N 2.87Å; R280-T282 PolarHBondContact O-N 2.83Å; R280-N306 PolarHBondContact N-OD1 2.99Å; R280-N306 PolarHBondContact O-OD1 2.86Å
281	T	84.1	Confident	84.5	Confident	81 Å²	81	75.7 Å²	75.7	50%	0.497	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	117.2	168.5	-48.7	0	0	0	0	110.1	N304 L305	T281-N304 HydrophobicContact CG2-CB 3.87Å; T281-L305 CarbonylContact C-O 3.49Å; T281-L305 WeakPolarHBondContact CA-O 3.25Å
282	T	83.2	Confident	83.8	Confident	25 Å²	25	82 Å²	82	15%	0.153	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	141.3	175.4	49	0	0	0	0	109.8	E277 R280 H284 N304 L305	E277-T282 HydrophobicContact CB-CG2 4.45Å; R280-T282 PolarHBondContact O-N 2.83Å; T282-H284 WeakPolarHBondContact CB-NE2 3Å; T282-H284 PolarHBondContact OG1-NE2 3.44Å; T282-N304 CarbonylContact O-C 3.51Å; T282-N304 VanDerWaalsContact O-CA 3.27Å; T282-N304 WeakPolarHBondContact O-CA 3.29Å; T282-L305 PolarHBondContact N-O 2.87Å; T282-L305 PolarHBondContact O-N 2.88Å; T282-L305 PolarHBondContact OG1-O 3Å
283	E	89.3	Confident	83.2	Confident	110 Å²	110	81.5 Å²	81.5	51%	0.514	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	128.3	174.2	179	162.1	-134.3	0	0	109.6	K195 V302 N304	K195-E283 VanDerWaalsContact NZ-CD 3.28Å; K195-E283 IonicContact NZ-OE1 2.71Å; K195-E283 PolarHBondContact NZ-OE1 3.15Å; K195-E283 IonicContact NZ-OE2 2.79Å; E283-V302 HydrophobicContact CG-CG1 4.11Å; E283-V302 VanDerWaalsContact OE1-CG1 3.25Å; E283-V302 WeakPolarHBondContact OE1-CG1 3.11Å; E283-N304 WeakPolarHBondContact CB-OD1 3.46Å; E283-N304 WeakPolarHBondContact CG-OD1 3.06Å
284	H	87	Confident	82.5	Confident	50 Å²	50	90 Å²	90	23%	0.231	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	127.5	-178.4	-67	-97.8	0	0	0	109.6	L276 T282 L286 L303	L276-H284 VanDerWaalsContact CD2-CE1 3.4Å; L276-H284 WeakPolarHBondContact CD2-CE1 3.43Å; L276-H284 WeakPolarHBondContact CD2-NE2 3.19Å; T282-H284 WeakPolarHBondContact CB-NE2 3Å; T282-H284 PolarHBondContact OG1-NE2 3.44Å; H284-L286 HydrophobicContact CB-CD2 4.1Å; H284-L286 HydrophobicContact CB-CG 4.3Å; H284-L303 HydrophobicContact CB-CD1 4.02Å; H284-L303 PolarHBondContact N-O 3.49Å; H284-L303 PolarHBondContact O-N 2.87Å
285	I	92.3	Very high	82.3	Confident	107 Å²	107	86.6 Å²	86.6	55%	0.549	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	97.3	177.6	-60	-178.9	0	0	0	106.4	V300 V302	I285-V300 HydrophobicContact CG2-CG1 3.4Å; I285-V302 HydrophobicContact CG1-CG1 4.41Å; I285-V302 HydrophobicContact CG1-CG2 4.44Å
286	L	90.5	Very high	81.8	Confident	22 Å²	22	89.6 Å²	89.6	12%	0.115	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	113.5	-170.9	-57.6	-177.8	0	0	0	110.3	V253 A269 V271 H284 V300 I301 L303	V253-L286 HydrophobicContact CG2-CD1 4.04Å; A269-L286 HydrophobicContact CB-CB 3.77Å; A269-L286 HydrophobicContact CB-CD1 4.05Å; A269-L286 HydrophobicContact CB-CG 4.45Å; V271-L286 HydrophobicContact CG2-CD1 3.59Å; V271-L286 HydrophobicContact CG2-CD2 3.92Å; V271-L286 HydrophobicContact CG2-CG 4.4Å; H284-L286 HydrophobicContact CB-CD2 4.1Å; H284-L286 HydrophobicContact CB-CG 4.3Å; L286-V300 CarbonylContact O-C 3.55Å; L286-V300 WeakPolarHBondContact O-CA 3.38Å; L286-V300 WeakPolarHBondContact O-CG1 3.21Å; L286-I301 PolarHBondContact N-O 2.79Å; L286-I301 PolarHBondContact O-N 2.97Å; L286-L303 HydrophobicContact CD1-CD1 4.35Å; L286-L303 HydrophobicContact CD1-CD2 3.88Å; L286-L303 HydrophobicContact CD1-CG 4.22Å
287	K	90.4	Very high	81.8	Confident	157 Å²	157	93.9 Å²	93.9	68%	0.683	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.4	146	166.1	-65.9	-167.9	173.7	-164.7	0	110.2	A269 V300	A269-K287 WeakPolarHBondContact CB-O 3.36Å; K287-V300 HydrophobicContact CG-CG2 4.34Å
288	L	91.2	Very high	82.1	Confident	9 Å²	9	89.3 Å²	89.3	5%	0.047	46%	0.458	C	S	.	.			trans	-96.3	141.7	176.4	-64.3	172.1	0	0	0	110.9	L200 V255 A269 M298 G299 I301	L200-L288 HydrophobicContact CD2-CD1 3.52Å; V255-L288 HydrophobicContact CB-CD1 4.28Å; V255-L288 HydrophobicContact CG2-CD1 3.61Å; V255-L288 HydrophobicContact CG2-CD2 3.84Å; V255-L288 HydrophobicContact CG2-CG 4.4Å; A269-L288 HydrophobicContact CB-CD2 4.31Å; L288-M298 HydrophobicContact CB-CB 3.76Å; L288-M298 WeakPolarHBondContact O-CB 3.29Å; L288-G299 WeakPolarHBondContact CB-O 3.4Å; L288-G299 PolarHBondContact N-O 3.41Å; L288-I301 HydrophobicContact CD1-CG1 4.29Å; L288-I301 HydrophobicContact CD2-CD1 3.9Å; L288-I301 HydrophobicContact CD2-CG1 4.06Å; L288-I301 HydrophobicContact CG-CG1 4.39Å
289	E	87.8	Confident	82.5	Confident	132 Å²	132	85.3 Å²	85.3	62%	0.617	44%	0.437	S	S	*	.	B	Isolated β-bridge	trans	-131.6	136.5	179.1	-65.2	171.9	-175.7	0	0	109.9	S268	S268-E289 PolarHBondContact N-O 3.15Å; S268-E289 PolarHBondContact O-N 3.06Å; S268-E289 PolarHBondContact OG-O 2.88Å
290	D	85.1	Confident	83.4	Confident	24 Å²	24	81.5 Å²	81.5	13%	0.128	42%	0.418	C	S	.	.			trans	-133.5	111.3	167	-176.7	7.1	0	0	0	109.3	F265 N292 S293 M298	F265-D290 HydrophobicContact CD1-CB 4.31Å; F265-D290 VanDerWaalsContact CD1-OD2 3.31Å; F265-D290 WeakPolarHBondContact CD1-OD2 3.25Å; F265-D290 HydrophobicContact CE1-CB 3.83Å; F265-D290 VanDerWaalsContact CE1-CG 3.44Å; D290-N292 PolarHBondContact O-N 2.91Å; D290-N292 PolarHBondContact OD1-N 2.86Å; D290-N292 VanDerWaalsContact OD1-N 3.1Å; D290-N292 PolarHBondContact OD1-ND2 1.95Å; D290-S293 PolarHBondContact O-N 3.29Å; D290-S293 VanDerWaalsContact O-N 3.12Å; D290-M298 HydrophobicContact CB-CE 4Å; D290-M298 HydrophobicContact CB-SD 4.42Å
291	P	77.3	Confident	84.1	Confident	125 Å²	125	74.8 Å²	74.8	81%	0.812	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-3.6	-179.8	30.2	-36.9	0	0	0	113.8
292	N	74	Confident	84.5	Confident	140 Å²	140	71 Å²	71	75%	0.749	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	1.1	176.4	-46	-75.9	0	0	0	113.3	D290	D290-N292 PolarHBondContact O-N 2.91Å; D290-N292 PolarHBondContact OD1-N 2.86Å; D290-N292 VanDerWaalsContact OD1-N 3.1Å; D290-N292 PolarHBondContact OD1-ND2 1.95Å
293	S	74.9	Confident	84.9	Confident	28 Å²	28	69.8 Å²	69.8	20%	0.196	36%	0.362	C	S	.	.			trans	-91.3	158.6	177.9	-160.3	0	0	0	0	112.3	R203 D290 E295	R203-S293 PolarHBondContact NH2-OG 3.45Å; R203-S293 VanDerWaalsContact NH2-OG 3.16Å; D290-S293 PolarHBondContact O-N 3.29Å; D290-S293 VanDerWaalsContact O-N 3.12Å; S293-E295 PolarHBondContact OG-N 3.12Å; S293-E295 PolarHBondContact OG-OE2 2.88Å
294	L	70.4	Confident	84.9	Confident	179 Å²	179	65.9 Å²	65.9	94%	0.937	34%	0.344	S	S	*	.			trans	-106.6	16.4	170.2	-62	175.3	0	0	0	111.6
295	E	75.5	Confident	85	Confident	70 Å²	70	63.6 Å²	63.6	33%	0.327	33%	0.334	S	S	.	.			trans	-105.2	119.5	-175.5	-62.5	165.5	128.9	0	0	110	V201 R203 S293 D297 M298	V201-E295 WeakPolarHBondContact CG1-OE1 3.34Å; V201-E295 WeakPolarHBondContact CG1-OE2 3.18Å; V201-E295 HydrophobicContact CG2-CB 4.18Å; V201-E295 HydrophobicContact CG2-CG 4.34Å; V201-E295 WeakPolarHBondContact CG2-OE1 3.36Å; R203-E295 IonicContact CZ-OE2 2.73Å; R203-E295 IonicContact NE-OE1 3.47Å; R203-E295 IonicContact NE-OE2 3.73Å; R203-E295 PolarHBondContact NE-OE2 3.26Å; R203-E295 VanDerWaalsContact NE-OE2 3.16Å; R203-E295 IonicContact NH2-OE2 3.15Å; R203-E295 PolarHBondContact NH2-OE2 3.03Å; S293-E295 PolarHBondContact OG-N 3.12Å; S293-E295 PolarHBondContact OG-OE2 2.88Å; E295-D297 VanDerWaalsContact C-N 3.33Å; E295-D297 PolarHBondContact O-N 3.31Å; E295-M298 HydrophobicContact CB-SD 4.02Å
296	D	71	Confident	84.7	Confident	179 Å²	179	60 Å²	60	96%	0.957	32%	0.316	S	S	*	.	S	Bend	trans	-70.4	-22	-174.6	-67.4	-50	0	0	0	114.6
297	D	81.9	Confident	84.4	Confident	99 Å²	99	59 Å²	59	53%	0.529	31%	0.311	S	S	.	.			trans	-133	106.1	175	-170.5	1.3	0	0	0	110.1	V201 E295 G299	V201-D297 WeakPolarHBondContact CG2-O 3.42Å; E295-D297 VanDerWaalsContact C-N 3.33Å; E295-D297 PolarHBondContact O-N 3.31Å; D297-G299 VanDerWaalsContact C-N 3.27Å; D297-G299 PolarHBondContact OD1-N 2.8Å
298	M	83.6	Confident	83.9	Confident	7 Å²	7	53.9 Å²	53.9	3%	0.034	29%	0.292	C	S	.	.			trans	-82.1	-5	177.1	-62.3	-69.6	-58.6	0	0	112.8	V201 L288 D290 E295	V201-M298 HydrophobicContact CB-CE 4.48Å; V201-M298 HydrophobicContact CG1-CE 4.32Å; V201-M298 HydrophobicContact CG2-SD 4.2Å; V201-M298 PolarHBondContact N-O 3.24Å; L288-M298 HydrophobicContact CB-CB 3.76Å; L288-M298 WeakPolarHBondContact O-CB 3.29Å; D290-M298 HydrophobicContact CB-CE 4Å; D290-M298 HydrophobicContact CB-SD 4.42Å; E295-M298 HydrophobicContact CB-SD 4.02Å
299	G	89.5	Confident	83.1	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.307	C	S	.	.			trans	90.9	-173.8	-173.5	0	0	0	0	0	114.3	R198 N199 L288 D297	R198-G299 WeakPolarHBondContact O-CA 3.39Å; N199-G299 WeakPolarHBondContact O-CA 3.44Å; L288-G299 WeakPolarHBondContact CB-O 3.4Å; L288-G299 PolarHBondContact N-O 3.41Å; D297-G299 VanDerWaalsContact C-N 3.27Å; D297-G299 PolarHBondContact OD1-N 2.8Å
300	V	92.9	Very high	81.8	Confident	27 Å²	27	54.9 Å²	54.9	16%	0.164	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	140.3	-165.4	-178.7	0	0	0	0	111.1	G197 R198 I285 L286 K287	G197-V300 CarbonylContact C-O 3.56Å; G197-V300 VanDerWaalsContact CA-O 3.31Å; G197-V300 WeakPolarHBondContact CA-O 3.02Å; R198-V300 PolarHBondContact N-O 2.59Å; R198-V300 PolarHBondContact O-N 3Å; I285-V300 HydrophobicContact CG2-CG1 3.4Å; L286-V300 CarbonylContact O-C 3.55Å; L286-V300 WeakPolarHBondContact O-CA 3.38Å; L286-V300 WeakPolarHBondContact O-CG1 3.21Å; K287-V300 HydrophobicContact CG-CG2 4.34Å
301	I	93.5	Very high	79.8	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	135	166.7	-53.1	173.9	0	0	0	109.9	L194 V213 V253 V255 L286 L288 L303	L194-I301 HydrophobicContact CD1-CG2 3.49Å; L194-I301 VanDerWaalsContact CD1-CG2 3.49Å; V213-I301 HydrophobicContact CG1-CD1 4.37Å; V213-I301 HydrophobicContact CG2-CD1 4.36Å; V253-I301 HydrophobicContact CB-CD1 4.43Å; V253-I301 HydrophobicContact CG1-CD1 3.46Å; V253-I301 VanDerWaalsContact CG1-CD1 3.46Å; V255-I301 HydrophobicContact CG2-CD1 3.54Å; V255-I301 HydrophobicContact CG2-CG1 4.02Å; L286-I301 PolarHBondContact N-O 2.79Å; L286-I301 PolarHBondContact O-N 2.97Å; L288-I301 HydrophobicContact CD1-CG1 4.29Å; L288-I301 HydrophobicContact CD2-CD1 3.9Å; L288-I301 HydrophobicContact CD2-CG1 4.06Å; L288-I301 HydrophobicContact CG-CG1 4.39Å; I301-L303 HydrophobicContact CG2-CB 4.44Å; I301-L303 HydrophobicContact CG2-CD2 4.01Å; I301-L303 HydrophobicContact CG2-CG 4.43Å
302	V	92.6	Very high	78.3	Confident	1 Å²	1	60 Å²	60	1%	0.006	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	122.4	165.8	-171.2	0	0	0	0	109.2	K195 E196 E283 I285	K195-V302 WeakPolarHBondContact CB-O 3.06Å; K195-V302 HydrophobicContact CD-CG1 4.01Å; K195-V302 PolarHBondContact N-O 3.12Å; K195-V302 VanDerWaalsContact N-O 3.15Å; E196-V302 HydrophobicContact CG-CB 3.99Å; E196-V302 HydrophobicContact CG-CG2 4.14Å; E196-V302 PolarHBondContact N-O 2.82Å; E196-V302 PolarHBondContact O-N 3.41Å; E283-V302 HydrophobicContact CG-CG1 4.11Å; E283-V302 VanDerWaalsContact OE1-CG1 3.25Å; E283-V302 WeakPolarHBondContact OE1-CG1 3.11Å; I285-V302 HydrophobicContact CG1-CG1 4.41Å; I285-V302 HydrophobicContact CG1-CG2 4.44Å
303	L	92.1	Very high	76.2	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	148.1	177.1	58.2	82.7	0	0	0	112.1	H193 L194 F215 V253 H284 L286 I301 L305	H193-L303 CarbonylContact O-C 3.54Å; H193-L303 WeakPolarHBondContact O-CA 3.34Å; L194-L303 HydrophobicContact CD1-CB 4.44Å; F215-L303 HydrophobicContact CE1-CD2 4.01Å; F215-L303 HydrophobicContact CZ-CD2 4.34Å; V253-L303 HydrophobicContact CG2-CD2 4.28Å; H284-L303 HydrophobicContact CB-CD1 4.02Å; H284-L303 PolarHBondContact N-O 3.49Å; H284-L303 PolarHBondContact O-N 2.87Å; L286-L303 HydrophobicContact CD1-CD1 4.35Å; L286-L303 HydrophobicContact CD1-CD2 3.88Å; L286-L303 HydrophobicContact CD1-CG 4.22Å; I301-L303 HydrophobicContact CG2-CB 4.44Å; I301-L303 HydrophobicContact CG2-CD2 4.01Å; I301-L303 HydrophobicContact CG2-CG 4.43Å; L303-L305 HydrophobicContact CD1-CD1 3.84Å; L303-L305 HydrophobicContact CD1-CD2 3.75Å; L303-L305 HydrophobicContact CD1-CG 3.54Å
304	N	90.1	Very high	74.2	Confident	28 Å²	28	68.7 Å²	68.7	15%	0.15	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	135.3	175.6	-85.1	23.1	0	0	0	109.8	I192 H193 K195 T281 T282 E283	I192-N304 CarbonylContact C-O 3.58Å; I192-N304 WeakPolarHBondContact CA-O 3.39Å; H193-N304 HydrophobicContact CB-CB 4.02Å; H193-N304 PolarHBondContact N-O 2.64Å; H193-N304 PolarHBondContact O-N 2.88Å; K195-N304 WeakPolarHBondContact CE-OD1 3.38Å; K195-N304 PolarHBondContact NZ-ND2 3Å; K195-N304 PolarHBondContact NZ-OD1 2.87Å; T281-N304 HydrophobicContact CG2-CB 3.87Å; T282-N304 CarbonylContact O-C 3.51Å; T282-N304 VanDerWaalsContact O-CA 3.27Å; T282-N304 WeakPolarHBondContact O-CA 3.29Å; E283-N304 WeakPolarHBondContact CB-OD1 3.46Å; E283-N304 WeakPolarHBondContact CG-OD1 3.06Å
305	L	88.5	Confident	72.1	Confident	1 Å²	1	69.4 Å²	69.4	1%	0.005	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	132.4	178.6	-63.9	177.1	0	0	0	110.5	L190 T191 I192 L251 V271 L276 T281 T282 L303	L190-L305 HydrophobicContact CD1-CB 4.4Å; L190-L305 HydrophobicContact CD1-CD2 4.31Å; L190-L305 HydrophobicContact CD2-CD2 4.48Å; T191-L305 WeakPolarHBondContact O-CA 3.35Å; I192-L305 HydrophobicContact CB-CD2 4.07Å; I192-L305 HydrophobicContact CD1-CD2 4.48Å; I192-L305 HydrophobicContact CG1-CD2 3.7Å; I192-L305 HydrophobicContact CG2-CD2 3.88Å; L251-L305 HydrophobicContact CD2-CD2 4.4Å; V271-L305 HydrophobicContact CB-CD1 4.37Å; V271-L305 HydrophobicContact CG1-CD1 3.79Å; V271-L305 HydrophobicContact CG2-CD1 4.23Å; L276-L305 HydrophobicContact CD1-CB 4.27Å; L276-L305 HydrophobicContact CD1-CD1 4.08Å; L276-L305 HydrophobicContact CD2-CB 4.11Å; L276-L305 HydrophobicContact CD2-CD1 3.76Å; T281-L305 CarbonylContact C-O 3.49Å; T281-L305 WeakPolarHBondContact CA-O 3.25Å; T282-L305 PolarHBondContact N-O 2.87Å; T282-L305 PolarHBondContact O-N 2.88Å; T282-L305 PolarHBondContact OG1-O 3Å; L303-L305 HydrophobicContact CD1-CD1 3.84Å; L303-L305 HydrophobicContact CD1-CD2 3.75Å; L303-L305 HydrophobicContact CD1-CG 3.54Å
306	N	85.1	Confident	70.2	Confident	33 Å²	33	78.3 Å²	78.3	18%	0.176	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	122.4	172.5	177.4	24.8	0	0	0	109.6	T191 R280	T191-N306 PolarHBondContact N-O 3.36Å; T191-N306 PolarHBondContact O-N 3.44Å; R280-N306 PolarHBondContact N-OD1 2.99Å; R280-N306 PolarHBondContact O-OD1 2.86Å
307	L	84.1	Confident	68	Low	1 Å²	1	77.2 Å²	77.2	1%	0.005	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	107.3	-173.8	-179.6	67.8	0	0	0	110	L190 L247 L276 L278 N279	L190-L307 HydrophobicContact CB-CD1 4.21Å; L190-L307 HydrophobicContact CD1-CB 4.18Å; L190-L307 HydrophobicContact CD1-CD1 4.16Å; L247-L307 HydrophobicContact CD1-CD2 4.28Å; L247-L307 HydrophobicContact CD2-CD1 4.11Å; L247-L307 HydrophobicContact CD2-CD2 3.66Å; L247-L307 HydrophobicContact CD2-CG 4.38Å; L276-L307 HydrophobicContact CB-CB 4.27Å; L276-L307 HydrophobicContact CB-CD2 4Å; L276-L307 HydrophobicContact CD1-CB 4.48Å; L278-L307 CarbonylContact C-O 3.54Å; L278-L307 WeakPolarHBondContact CA-O 3.2Å; L278-L307 HydrophobicContact CD2-CB 4.4Å; L278-L307 HydrophobicContact CD2-CD2 3.63Å; L278-L307 HydrophobicContact CD2-CG 3.75Å; N279-L307 PolarHBondContact N-O 2.76Å
308	V	81.6	Confident	65.8	Low	49 Å²	49	83.7 Å²	83.7	30%	0.297	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	136.2	-175.1	175.6	0	0	0	0	110.8	Y188 L189 N279	Y188-V308 CarbonylContact C-O 3.56Å; Y188-V308 WeakPolarHBondContact CA-O 2.93Å; L189-V308 PolarHBondContact N-O 3.15Å; L189-V308 PolarHBondContact O-N 2.53Å; N279-V308 WeakPolarHBondContact OD1-CA 3.19Å
309	V	74.2	Confident	63	Low	60 Å²	60	95.4 Å²	95.4	36%	0.364	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	128.5	174	-170.6	0	0	0	0	109.9	Y188 L278 Q311	Y188-V309 HydrophobicContact CD1-CG2 4.1Å; Y188-V309 HydrophobicContact CE1-CG1 4.43Å; Y188-V309 HydrophobicContact CE1-CG2 3.97Å; L278-V309 HydrophobicContact CD1-CG2 3.97Å; L278-V309 HydrophobicContact CD2-CG2 3.93Å; L278-V309 HydrophobicContact CG-CG2 4.4Å; V309-Q311 VanDerWaalsContact C-N 3.32Å; V309-Q311 PolarHBondContact O-N 3.06Å
310	K	59.8	Low	59.9	Low	102 Å²	102	100 Å²	100	44%	0.443	47%	0.474	S	S	.	.			trans	-80.6	79.1	173.9	-171.9	-166.5	177.9	-169.2	0	109.7	F186 A187 G312	F186-K310 HydrophobicContact CD2-CD 3.75Å; F186-K310 HydrophobicContact CE2-CD 3.61Å; F186-K310 HydrophobicContact CZ-CD 4.4Å; A187-K310 PolarHBondContact O-N 3.36Å; K310-G312 PolarHBondContact O-N 3.16Å
311	Q	43.5	Very low	57	Low	184 Å²	184	106.9 Å²	106.9	86%	0.86	51%	0.51	S	S	*	.			trans	-64.7	109.8	174	-169.3	171.6	30.8	0	0	109.8	V309 D313	V309-Q311 VanDerWaalsContact C-N 3.32Å; V309-Q311 PolarHBondContact O-N 3.06Å; Q311-D313 PolarHBondContact O-N 3.27Å
312	G	45.1	Very low	54	Low	71 Å²	71	117.5 Å²	117.5	73%	0.732	55%	0.55	S	S	*	*			trans	-85.4	100.3	178.4	0	0	0	0	0	111.3	K310	K310-G312 PolarHBondContact O-N 3.16Å
313	D	29.4	Very low	51	Low	157 Å²	157	127 Å²	127	84%	0.84	59%	0.592	S	S	*	*			trans	-155.2	149.7	153.8	-139.6	-24.8	0	0	0	113	Q311	Q311-D313 PolarHBondContact O-N 3.27Å
314	F	33.1	Very low	48.2	Very low	195 Å²	195	139 Å²	139	86%	0.855	64%	0.636	S	S	*	*			trans	-95.7	110.1	-174.3	-93	-95.4	0	0	0	112.7
315	K	27	Very low	45.3	Very low	193 Å²	193	145.7 Å²	145.7	84%	0.839	67%	0.671	S	S	*	*			trans	-156.8	117	148.9	-105.6	139.3	-172	169.9	0	111.6	Q317	K315-Q317 PolarHBondContact O-N 3.2Å
316	R	36	Very low	42.9	Very low	258 Å²	258	151.9 Å²	151.9	97%	0.974	72%	0.715	S	S	*	*			trans	-73.2	72.3	173.9	-79.3	-174.6	171.4	178.6	-2.1	111.6	R318	R316-R318 PolarHBondContact O-N 2.97Å
317	Q	23.6	Very low	40.1	Very low	156 Å²	156	154.1 Å²	154.1	73%	0.729	74%	0.738	S	S	*	*			trans	-90.3	80.7	169.6	-81.3	-68.2	1.8	0	0	111.7	K315 W319	K315-Q317 PolarHBondContact O-N 3.2Å; Q317-W319 PolarHBondContact O-N 3.35Å
318	R	36.5	Very low	37.5	Very low	235 Å²	235	158 Å²	158	89%	0.887	77%	0.765	S	S	*	*			trans	19.5	74.8	139.4	-165	-174.3	-163.7	167.6	5.3	116.7	R316	R316-R318 PolarHBondContact O-N 2.97Å
319	W	23.9	Very low	35.1	Very low	252 Å²	252	164.5 Å²	164.5	96%	0.955	79%	0.789	S	S	*	*			trans	-77	139.2	168.7	-131.9	-65.6	0	0	0	111.8	Q317	Q317-W319 PolarHBondContact O-N 3.35Å
320	S	24.8	Very low	33.1	Very low	96 Å²	96	165.5 Å²	165.5	67%	0.671	80%	0.799	S	S	*	*			trans	-88.4	145.4	-165.6	54.4	0	0	0	0	114.6	R322	S320-R322 VanDerWaalsContact C-N 3.33Å; S320-R322 PolarHBondContact O-N 3.17Å
321	N	32.8	Very low	31.8	Very low	173 Å²	173	163.2 Å²	163.2	93%	0.925	80%	0.796	S	S	*	*			trans	-74	74.9	177	-125.8	-16.2	0	0	0	111.5
322	R	31.1	Very low	31.4	Very low	223 Å²	223	160 Å²	160	84%	0.842	78%	0.784	S	S	*	*			trans	-159.3	95.4	165.1	-152.5	169.3	-68.1	-164	1	116.7	S320	S320-R322 VanDerWaalsContact C-N 3.33Å; S320-R322 PolarHBondContact O-N 3.17Å
323	K	28.4	Very low	30.9	Very low	201 Å²	201	162.4 Å²	162.4	87%	0.874	78%	0.779	S	S	*	*				-171.1	129.1	125.1	-103.9	164.1	-175.8	179.3	0	110.1
324	R	33.8	Very low	31.1	Very low	250 Å²	250	162.7 Å²	162.7	94%	0.943	77%	0.768	S	S	*	*			trans	-84.8	135.5	167.2	-65.7	-179.3	-176.8	175.3	1.2	108.4
325	L	29.1	Very low	31.1	Very low	169 Å²	169	157.8 Å²	157.8	89%	0.885	75%	0.751	S	S	*	*			trans	-126.3	144.9	158.1	-88.3	160.5	0	0	0	107.8	A327	L325-A327 PolarHBondContact O-N 2.73Å
326	S	36.9	Very low	31.4	Very low	131 Å²	131	153.2 Å²	153.2	92%	0.916	74%	0.735	S	S	*	*			trans	-76.8	119.6	-171.4	-169.5	0	0	0	0	110.9
327	A	27.3	Very low	31.4	Very low	80 Å²	80	150.2 Å²	150.2	66%	0.661	72%	0.724	S	S	*	*			trans	-125.9	143.5	170.7	0	0	0	0	0	109.4	L325	L325-A327 PolarHBondContact O-N 2.73Å
328	S	29.4	Very low	31.8	Very low	82 Å²	82	145.2 Å²	145.2	57%	0.573	70%	0.702	S	S	*	*			trans	-65	138.2	-169.7	-172.7	0	0	0	0	113	S330 S331	S328-S330 PolarHBondContact O-N 3.36Å; S328-S330 PolarHBondContact OG-OG 3.47Å; S328-S331 PolarHBondContact O-N 2.62Å; S328-S331 PolarHBondContact O-OG 3.01Å; S328-S331 VanDerWaalsContact O-OG 3.12Å
329	K	31.2	Very low	31.8	Very low	186 Å²	186	135.7 Å²	135.7	81%	0.809	67%	0.671	S	S	*	*	H	α-helix	trans	-61.6	-15.5	-177.5	-67.7	-177.4	177.7	179.5	0	114.2
330	S	32.6	Very low	32.2	Very low	82 Å²	82	129 Å²	129	57%	0.573	65%	0.65	S	S	*	*	H	α-helix	trans	-75	-27.9	179	52.2	0	0	0	0	114.4	S328	S328-S330 PolarHBondContact O-N 3.36Å; S328-S330 PolarHBondContact OG-OG 3.47Å
331	S	32.4	Very low	32.5	Very low	53 Å²	53	127.8 Å²	127.8	37%	0.371	64%	0.642	S	S	.	*	H	α-helix	trans	-79.5	-30.7	-174.3	61.8	0	0	0	0	113.7	S328 I333 R334 N335	S328-S331 PolarHBondContact O-N 2.62Å; S328-S331 PolarHBondContact O-OG 3.01Å; S328-S331 VanDerWaalsContact O-OG 3.12Å; S331-I333 VanDerWaalsContact C-N 3.33Å; S331-I333 PolarHBondContact O-N 3.07Å; S331-R334 PolarHBondContact O-N 2.99Å; S331-N335 PolarHBondContact O-N 3.35Å; S331-N335 PolarHBondContact O-ND2 2.67Å
332	L	33.8	Very low	32.8	Very low	118 Å²	118	125.7 Å²	125.7	62%	0.618	63%	0.63	S	S	*	*	H	α-helix	trans	-65.1	-36.1	179.3	-68.9	171	0	0	0	112.5	R334 N335 L336	L332-R334 VanDerWaalsContact C-N 3.34Å; L332-R334 PolarHBondContact O-N 3.14Å; L332-N335 PolarHBondContact O-N 3.44Å; L332-L336 PolarHBondContact O-N 3.22Å; L332-L336 VanDerWaalsContact O-N 3.14Å
333	I	35.2	Very low	33.1	Very low	121 Å²	121	119.3 Å²	119.3	62%	0.621	61%	0.606	S	S	*	*	H	α-helix	trans	-69	-32.2	-177.1	-59.7	174.3	0	0	0	111.5	S331 R337	S331-I333 VanDerWaalsContact C-N 3.33Å; S331-I333 PolarHBondContact O-N 3.07Å; I333-R337 PolarHBondContact O-N 3.41Å
334	R	33.5	Very low	33.6	Very low	163 Å²	163	117.6 Å²	117.6	62%	0.615	60%	0.599	S	S	*	*	H	α-helix	trans	-73.8	-40.4	174.1	-72.5	-174.2	178.1	174.5	-1.7	112.8	D237 S331 L332 L336 R337 L338	D237-R334 IonicContact OD2-NH1 2.69Å; D237-R334 PolarHBondContact OD2-NH1 3.03Å; S331-R334 PolarHBondContact O-N 2.99Å; L332-R334 VanDerWaalsContact C-N 3.34Å; L332-R334 PolarHBondContact O-N 3.14Å; R334-L336 VanDerWaalsContact C-N 3.3Å; R334-L336 PolarHBondContact O-N 3.42Å; R334-R337 PolarHBondContact O-N 3.14Å; R334-R337 VanDerWaalsContact O-N 3.14Å; R334-L338 PolarHBondContact O-N 3.36Å
335	N	32.9	Very low	33.9	Very low	91 Å²	91	108.7 Å²	108.7	49%	0.487	57%	0.57	S	S	.	*	H	α-helix	trans	-61.9	-38.5	177.8	-80.7	-81	0	0	0	111.9	S331 L332 S339	S331-N335 PolarHBondContact O-N 3.35Å; S331-N335 PolarHBondContact O-ND2 2.67Å; L332-N335 PolarHBondContact O-N 3.44Å; N335-S339 VanDerWaalsContact O-CB 3.26Å; N335-S339 WeakPolarHBondContact O-CB 3.47Å; N335-S339 PolarHBondContact O-N 3.45Å; N335-S339 PolarHBondContact O-OG 3.44Å; N335-S339 VanDerWaalsContact O-OG 3.07Å
336	L	34.1	Very low	34.7	Very low	97 Å²	97	103.4 Å²	103.4	51%	0.508	54%	0.54	S	S	.	.	H	α-helix	trans	-56.9	-53.9	169.3	-88.8	154.5	0	0	0	111.6	L332 R334 L338 S339 E340	L332-L336 PolarHBondContact O-N 3.22Å; L332-L336 VanDerWaalsContact O-N 3.14Å; R334-L336 VanDerWaalsContact C-N 3.3Å; R334-L336 PolarHBondContact O-N 3.42Å; L336-L338 PolarHBondContact O-N 3.06Å; L336-S339 CarbonylContact O-C 3.58Å; L336-S339 PolarHBondContact O-N 2.92Å; L336-S339 PolarHBondContact O-OG 3.36Å; L336-E340 WeakPolarHBondContact O-CG 3.26Å; L336-E340 PolarHBondContact O-N 3.19Å
337	R	34.8	Very low	35.4	Very low	196 Å²	196	101.2 Å²	101.2	74%	0.74	52%	0.518	S	S	*	.	H	α-helix	trans	-66.8	-33.3	-174.4	-131.8	176.9	-170.1	-179.7	1.5	115	I333 R334 E340 S341	I333-R337 PolarHBondContact O-N 3.41Å; R334-R337 PolarHBondContact O-N 3.14Å; R334-R337 VanDerWaalsContact O-N 3.14Å; R337-E340 WeakPolarHBondContact CA-OE2 3.43Å; R337-S341 PolarHBondContact O-N 3.38Å
338	L	33	Very low	36.7	Very low	51 Å²	51	98.2 Å²	98.2	27%	0.267	49%	0.49	S	S	.	.	H	α-helix	trans	-74.5	-41	173.8	-121	168.6	0	0	0	111.1	E238 R334 L336 E340 S341 L342	E238-L338 HydrophobicContact CG-CD1 4.49Å; R334-L338 PolarHBondContact O-N 3.36Å; L336-L338 PolarHBondContact O-N 3.06Å; L338-E340 VanDerWaalsContact C-N 3.33Å; L338-E340 PolarHBondContact O-N 3.01Å; L338-S341 PolarHBondContact O-N 3.42Å; L338-S341 PolarHBondContact O-OG 3.36Å; L338-L342 PolarHBondContact O-N 2.91Å
339	S	35.7	Very low	38.1	Very low	34 Å²	34	97.9 Å²	97.9	24%	0.238	48%	0.481	C	S	.	.	H	α-helix	trans	-62.8	-36.2	172.2	74	0	0	0	0	112.3	N335 L336 S341 L342 R343	N335-S339 VanDerWaalsContact O-CB 3.26Å; N335-S339 WeakPolarHBondContact O-CB 3.47Å; N335-S339 PolarHBondContact O-N 3.45Å; N335-S339 PolarHBondContact O-OG 3.44Å; N335-S339 VanDerWaalsContact O-OG 3.07Å; L336-S339 CarbonylContact O-C 3.58Å; L336-S339 PolarHBondContact O-N 2.92Å; L336-S339 PolarHBondContact O-OG 3.36Å; S339-S341 VanDerWaalsContact C-N 3.33Å; S339-S341 PolarHBondContact O-N 2.95Å; S339-L342 PolarHBondContact O-N 2.88Å; S339-R343 WeakPolarHBondContact O-CA 3.39Å; S339-R343 WeakPolarHBondContact O-CB 3.44Å; S339-R343 WeakPolarHBondContact O-CG 3.37Å; S339-R343 PolarHBondContact O-N 3.22Å; S339-R343 PolarHBondContact OG-NH1 2.95Å
340	E	32.6	Very low	39.8	Very low	111 Å²	111	89.1 Å²	89.1	52%	0.519	44%	0.444	S	S	.	.	H	α-helix	trans	-57.9	-43	172.1	-77.8	173.7	149.3	0	0	112	L336 R337 L338 L342 R343 K344	L336-E340 WeakPolarHBondContact O-CG 3.26Å; L336-E340 PolarHBondContact O-N 3.19Å; R337-E340 WeakPolarHBondContact CA-OE2 3.43Å; L338-E340 VanDerWaalsContact C-N 3.33Å; L338-E340 PolarHBondContact O-N 3.01Å; E340-L342 VanDerWaalsContact C-N 3.34Å; E340-L342 PolarHBondContact O-N 3.36Å; E340-R343 PolarHBondContact O-N 2.98Å; E340-K344 PolarHBondContact O-N 3.46Å
341	S	32.6	Very low	41.7	Very low	71 Å²	71	86.2 Å²	86.2	50%	0.497	42%	0.422	S	S	.	.	H	α-helix	trans	-67.2	-31.5	-179.8	66.3	0	0	0	0	113.8	R337 L338 S339	R337-S341 PolarHBondContact O-N 3.38Å; L338-S341 PolarHBondContact O-N 3.42Å; L338-S341 PolarHBondContact O-OG 3.36Å; S339-S341 VanDerWaalsContact C-N 3.33Å; S339-S341 PolarHBondContact O-N 2.95Å
342	L	37.9	Very low	43.8	Very low	129 Å²	129	83.7 Å²	83.7	68%	0.675	40%	0.404	S	S	*	.	H	α-helix	trans	-85.2	-28.6	172.5	-66.2	171	0	0	0	112.6	L338 S339 E340 K344 N345	L338-L342 PolarHBondContact O-N 2.91Å; S339-L342 PolarHBondContact O-N 2.88Å; E340-L342 VanDerWaalsContact C-N 3.34Å; E340-L342 PolarHBondContact O-N 3.36Å; L342-K344 PolarHBondContact O-N 3.39Å; L342-N345 PolarHBondContact O-N 3.49Å
343	R	38.8	Very low	45.9	Very low	89 Å²	89	78.1 Å²	78.1	34%	0.336	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-1.4	174.6	-79.3	174.5	174.4	154.3	3.5	113.8	S339 E340 N345 Q346 D405	S339-R343 WeakPolarHBondContact O-CA 3.39Å; S339-R343 WeakPolarHBondContact O-CB 3.44Å; S339-R343 WeakPolarHBondContact O-CG 3.37Å; S339-R343 PolarHBondContact O-N 3.22Å; S339-R343 PolarHBondContact OG-NH1 2.95Å; E340-R343 PolarHBondContact O-N 2.98Å; R343-N345 CarbonylContact O-C 3.6Å; R343-N345 PolarHBondContact O-N 2.88Å; R343-N345 VanDerWaalsContact O-N 3.14Å; R343-Q346 WeakPolarHBondContact O-CG 3.24Å; R343-Q346 PolarHBondContact O-N 3.19Å; R343-D405 IonicContact CZ-OD2 3.19Å; R343-D405 IonicContact NE-OD2 3.1Å; R343-D405 PolarHBondContact NE-OD2 3.48Å; R343-D405 VanDerWaalsContact NE-OD2 3.11Å; R343-D405 IonicContact NH2-OD1 2.69Å; R343-D405 PolarHBondContact NH2-OD1 2.94Å; R343-D405 IonicContact NH2-OD2 3.23Å; R343-D405 PolarHBondContact NH2-OD2 3.09Å
344	K	37.1	Very low	48.2	Very low	166 Å²	166	72.4 Å²	72.4	72%	0.722	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-23.6	162.8	-80.8	-163.3	170.5	-168.1	0	111.8	E340 L342 Q346	E340-K344 PolarHBondContact O-N 3.46Å; L342-K344 PolarHBondContact O-N 3.39Å; K344-Q346 PolarHBondContact O-N 3.06Å
345	N	40.5	Very low	50.6	Low	63 Å²	63	65.2 Å²	65.2	34%	0.337	32%	0.32	S	S	.	.	S	Bend	trans	-88.2	75.6	162.7	-68.2	2	0	0	0	110.3	L342 R343 L347 I469	L342-N345 PolarHBondContact O-N 3.49Å; R343-N345 CarbonylContact O-C 3.6Å; R343-N345 PolarHBondContact O-N 2.88Å; R343-N345 VanDerWaalsContact O-N 3.14Å; N345-L347 PolarHBondContact O-N 2.6Å; N345-I469 HydrophobicContact CB-CB 4.3Å; N345-I469 HydrophobicContact CB-CD1 3.85Å
346	Q	45.7	Very low	53	Low	57 Å²	57	60.9 Å²	60.9	27%	0.266	30%	0.297	S	S	.	.			trans	-74.7	105.4	-175.8	-75.4	-162.2	-118.4	0	0	113.5	R343 K344 F403	R343-Q346 WeakPolarHBondContact O-CG 3.24Å; R343-Q346 PolarHBondContact O-N 3.19Å; K344-Q346 PolarHBondContact O-N 3.06Å; Q346-F403 HydrophobicContact CB-CD1 4.45Å; Q346-F403 HydrophobicContact CB-CE1 3.75Å; Q346-F403 HydrophobicContact CB-CZ 4.32Å; Q346-F403 HydrophobicContact CG-CE1 4.39Å; Q346-F403 VanDerWaalsContact NE2-CD1 3.32Å; Q346-F403 VanDerWaalsContact NE2-CZ 3.27Å
347	L	52.5	Low	55.3	Low	86 Å²	86	56.7 Å²	56.7	45%	0.45	28%	0.275	S	S	.	.			trans	-76.5	134.2	159.7	-63.7	84.3	0	0	0	109.5	N345 F403 V467	N345-L347 PolarHBondContact O-N 2.6Å; L347-F403 VanDerWaalsContact O-CD1 3.24Å; L347-F403 WeakPolarHBondContact O-CD1 3.28Å; L347-V467 WeakPolarHBondContact CD2-O 3.33Å
348	W	54.5	Low	57.7	Low	17 Å²	17	49.3 Å²	49.3	6%	0.064	25%	0.249	C	C	.	.			trans	-98.4	145.8	167.8	53.9	78.5	0	0	0	112	H401 Y402 F403 V467 D535	W348-H401 HydrophobicContact CB-CB 4.2Å; W348-H401 HydrophobicContact CD2-CB 3.84Å; W348-H401 AromaticContact CD2-CG 3.87Å; W348-H401 AromaticContact CD2-ND1 3.83Å; W348-H401 AromaticContact CE2-CG 3.87Å; W348-H401 AromaticContact CE2-ND1 3.73Å; W348-H401 HydrophobicContact CE3-CB 3.98Å; W348-H401 AromaticContact CE3-ND1 3.63Å; W348-H401 HydrophobicContact CG-CB 4.01Å; W348-H401 AromaticContact CH2-CE1 3.41Å; W348-H401 VanDerWaalsContact CH2-CE1 3.41Å; W348-H401 WeakPolarHBondContact CH2-CE1 3.25Å; W348-H401 AromaticContact CH2-ND1 3.19Å; W348-H401 WeakPolarHBondContact CH2-ND1 3.45Å; W348-H401 AromaticContact CZ2-CE1 3.44Å; W348-H401 VanDerWaalsContact CZ2-CE1 3.44Å; W348-H401 WeakPolarHBondContact CZ2-CE1 3.46Å; W348-H401 AromaticContact CZ2-CG 3.97Å; W348-H401 AromaticContact CZ2-ND1 3.39Å; W348-H401 WeakPolarHBondContact CZ2-ND1 3.39Å; W348-H401 AromaticContact CZ3-ND1 3.33Å; W348-H401 VanDerWaalsContact CZ3-ND1 3.33Å; W348-H401 WeakPolarHBondContact CZ3-ND1 3.32Å; W348-Y402 CarbonylContact C-O 3.57Å; W348-Y402 WeakPolarHBondContact CA-O 3.4Å; W348-Y402 WeakPolarHBondContact CB-O 3.5Å; W348-F403 HydrophobicContact CB-CD1 3.92Å; W348-F403 HydrophobicContact CB-CE1 3.53Å; W348-F403 HydrophobicContact CB-CZ 3.97Å; W348-F403 HydrophobicContact CE3-CE1 4.22Å; W348-F403 HydrophobicContact CE3-CZ 4.05Å; W348-V467 HydrophobicContact CD2-CB 4.34Å; W348-V467 HydrophobicContact CD2-CG1 4.48Å; W348-V467 HydrophobicContact CD2-CG2 4.26Å; W348-V467 HydrophobicContact CE3-CG1 4.47Å; W348-V467 HydrophobicContact CH2-CG2 4.04Å; W348-V467 HydrophobicContact CZ2-CB 4.33Å; W348-V467 HydrophobicContact CZ2-CG2 3.43Å; W348-V467 VanDerWaalsContact CZ2-CG2 3.43Å; W348-V467 HydrophobicContact CZ3-CG1 4.48Å; W348-D535 HydrophobicContact CH2-CB 3.77Å; W348-D535 HydrophobicContact CZ2-CB 4.19Å; W348-D535 VanDerWaalsContact CZ2-CG 3.47Å; W348-D535 WeakPolarHBondContact CZ2-OD2 3.44Å
349	N	59.4	Low	60.1	Low	74 Å²	74	46.9 Å²	46.9	40%	0.396	24%	0.236	S	C	.	.	S	Bend	trans	-92.4	-5.8	-176.3	-60.1	-19.7	0	0	0	112.4	Y402 S404 C464	N349-Y402 HydrophobicContact CB-CD1 4.43Å; N349-Y402 PolarHBondContact N-O 2.79Å; N349-S404 VanDerWaalsContact ND2-CB 3.27Å; N349-S404 WeakPolarHBondContact ND2-CB 3.49Å; N349-S404 PolarHBondContact ND2-N 3.07Å; N349-S404 PolarHBondContact ND2-OG 3.31Å; N349-C464 CarbonylContact C-O 3.43Å; N349-C464 PolarHBondContact O-N 3.11Å; N349-C464 VanDerWaalsContact O-N 3.11Å
350	G	65.7	Low	62.3	Low	3 Å²	3	48.4 Å²	48.4	3%	0.031	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.8	170.5	-178.8	0	0	0	0	0	114.3	Y402 T462	G350-Y402 PolarHBondContact N-O 3.24Å; G350-Y402 PolarHBondContact O-N 3.43Å; G350-T462 CarbonylContact C-O 3.41Å; G350-T462 VanDerWaalsContact CA-O 3.23Å; G350-T462 WeakPolarHBondContact CA-O 3.38Å
351	I	72.4	Confident	64.2	Low	21 Å²	21	47.4 Å²	47.4	11%	0.108	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	136.3	168.2	-59.9	172.2	0	0	0	107.3	D399 F400 T462	I351-D399 HydrophobicContact CG2-CB 3.8Å; I351-F400 CarbonylContact C-O 3.57Å; I351-F400 VanDerWaalsContact CA-O 3.31Å; I351-F400 WeakPolarHBondContact CA-O 3.15Å; I351-T462 PolarHBondContact N-O 2.91Å; I351-T462 WeakPolarHBondContact O-CA 3.3Å; I351-T462 WeakPolarHBondContact O-CB 3.45Å; I351-T462 PolarHBondContact O-N 2.83Å
352	I	76.5	Confident	66.3	Low	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	106	177.5	-51.8	159.9	0	0	0	106.7	I354 L376 D399 F400 Y402 I433 I459 T460 L461	I352-I354 HydrophobicContact CG2-CD1 3.96Å; I352-I354 HydrophobicContact CG2-CG1 3.67Å; I352-L376 HydrophobicContact CD1-CD2 3.51Å; I352-D399 CarbonylContact O-C 3.52Å; I352-D399 WeakPolarHBondContact O-CA 3.36Å; I352-F400 HydrophobicContact CB-CB 4.3Å; I352-F400 HydrophobicContact CD1-CB 4.48Å; I352-F400 PolarHBondContact N-O 3.31Å; I352-F400 PolarHBondContact O-N 3.29Å; I352-Y402 HydrophobicContact CD1-CD2 4Å; I352-Y402 HydrophobicContact CD1-CG 4.21Å; I352-Y402 HydrophobicContact CG1-CG 4.49Å; I352-I433 HydrophobicContact CD1-CD1 3.81Å; I352-I433 HydrophobicContact CD1-CG2 3.9Å; I352-I433 HydrophobicContact CG1-CG2 4.42Å; I352-I459 HydrophobicContact CG2-CG2 3.58Å; I352-T460 WeakPolarHBondContact CA-O 3.05Å; I352-L461 HydrophobicContact CB-CD1 4.43Å; I352-L461 HydrophobicContact CG1-CD1 3.84Å; I352-L461 HydrophobicContact CG1-CG 4.39Å; I352-L461 HydrophobicContact CG2-CD1 3.99Å
353	S	78.7	Confident	67.6	Low	1 Å²	1	40.9 Å²	40.9	1%	0.007	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	128.3	168.5	-67.8	0	0	0	0	109	Q397 D399 I459 T460 K500	S353-Q397 PolarHBondContact OG-NE2 3.26Å; S353-D399 VanDerWaalsContact CA-OD1 3.25Å; S353-D399 WeakPolarHBondContact CA-OD1 3.24Å; S353-D399 WeakPolarHBondContact CB-OD1 3.34Å; S353-D399 PolarHBondContact OG-OD1 2.72Å; S353-I459 WeakPolarHBondContact O-CA 3.33Å; S353-T460 PolarHBondContact N-O 2.91Å; S353-T460 PolarHBondContact O-N 2.76Å; S353-K500 PolarHBondContact OG-NZ 2.63Å
354	I	83.9	Confident	68.7	Low	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	106.4	-178.7	-57.9	-166.1	0	0	0	107.9	I352 L374 Q397 F398 F400 L410 M457 L458 I459	I352-I354 HydrophobicContact CG2-CD1 3.96Å; I352-I354 HydrophobicContact CG2-CG1 3.67Å; I354-L374 HydrophobicContact CG2-CD1 4.17Å; I354-Q397 CarbonylContact O-C 3.5Å; I354-Q397 WeakPolarHBondContact O-CA 3.49Å; I354-F398 PolarHBondContact N-O 2.83Å; I354-F398 PolarHBondContact O-N 3.11Å; I354-F400 HydrophobicContact CD1-CD2 3.6Å; I354-F400 HydrophobicContact CD1-CE2 3.73Å; I354-F400 HydrophobicContact CG1-CD2 4.03Å; I354-F400 HydrophobicContact CG1-CE2 4.36Å; I354-L410 HydrophobicContact CD1-CD1 3.82Å; I354-L410 HydrophobicContact CD1-CD2 3.64Å; I354-L410 HydrophobicContact CD1-CG 4.38Å; I354-M457 HydrophobicContact CG2-CE 3.27Å; I354-L458 CarbonylContact C-O 3.57Å; I354-L458 WeakPolarHBondContact CA-O 3.19Å; I354-I459 HydrophobicContact CD1-CD1 4.49Å; I354-I459 HydrophobicContact CG1-CG1 4.38Å; I354-I459 HydrophobicContact CG1-CG2 4.39Å; I354-I459 HydrophobicContact CG2-CG1 4.33Å
355	T	82.3	Confident	70.1	Confident	13 Å²	13	31.3 Å²	31.3	8%	0.08	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	109.3	175.7	-46.9	0	0	0	0	109.6	L357 E396 M457 L458	T355-L357 HydrophobicContact CG2-CD2 3.77Å; T355-E396 CarbonylContact C-O 3.34Å; T355-E396 VanDerWaalsContact CA-O 3.29Å; T355-E396 WeakPolarHBondContact CA-O 2.98Å; T355-M457 CarbonylContact O-C 3.57Å; T355-M457 WeakPolarHBondContact O-CA 3.17Å; T355-L458 PolarHBondContact N-O 2.57Å; T355-L458 PolarHBondContact O-N 2.9Å
356	L	84.2	Confident	71	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	115.8	171.4	178.1	65	0	0	0	109	V372 W394 Q395 E396 F398 L455 M457	L356-V372 HydrophobicContact CD1-CG2 4.27Å; L356-V372 HydrophobicContact CD2-CB 3.76Å; L356-V372 HydrophobicContact CD2-CG1 4.31Å; L356-V372 HydrophobicContact CD2-CG2 3.78Å; L356-W394 HydrophobicContact CD1-CE3 4.18Å; L356-W394 HydrophobicContact CD2-CB 3.74Å; L356-W394 HydrophobicContact CD2-CD2 3.87Å; L356-W394 HydrophobicContact CD2-CE3 4.04Å; L356-W394 HydrophobicContact CD2-CG 3.74Å; L356-W394 HydrophobicContact CG-CB 3.93Å; L356-W394 HydrophobicContact CG-CD2 4.31Å; L356-W394 HydrophobicContact CG-CE3 4.06Å; L356-W394 HydrophobicContact CG-CG 4.29Å; L356-Q395 VanDerWaalsContact O-CA 3.24Å; L356-Q395 WeakPolarHBondContact O-CA 3.39Å; L356-Q395 PolarHBondContact O-N 3.14Å; L356-Q395 VanDerWaalsContact O-N 3.08Å; L356-E396 PolarHBondContact N-O 3.29Å; L356-E396 PolarHBondContact O-N 3.28Å; L356-F398 HydrophobicContact CB-CE2 3.97Å; L356-F398 HydrophobicContact CD2-CE2 4.33Å; L356-L455 HydrophobicContact CD1-CD1 3.93Å; L356-L455 HydrophobicContact CD1-CD2 3.84Å; L356-L455 HydrophobicContact CD1-CG 3.9Å; L356-M457 HydrophobicContact CB-CE 4.27Å; L356-M457 HydrophobicContact CD1-CE 4.04Å; L356-M457 HydrophobicContact CD1-CG 3.91Å; L356-M457 HydrophobicContact CD1-SD 4.01Å
357	L	82.1	Confident	72	Confident	8 Å²	8	33.5 Å²	33.5	4%	0.042	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	-72.6	-172.6	-58.7	169.1	0	0	0	110.7	T355 W394 Q395 L456 Y830	T355-L357 HydrophobicContact CG2-CD2 3.77Å; L357-W394 PolarHBondContact O-N 3.36Å; L357-Q395 PolarHBondContact O-N 3.29Å; L357-L456 HydrophobicContact CB-CB 4.46Å; L357-L456 HydrophobicContact CB-CD2 4.43Å; L357-L456 WeakPolarHBondContact CB-O 3.44Å; L357-L456 HydrophobicContact CD1-CD2 4.09Å; L357-L456 HydrophobicContact CD1-CG 4.06Å; L357-L456 PolarHBondContact N-O 3.26Å; L357-Y830 HydrophobicContact CD1-CD1 3.58Å; L357-Y830 HydrophobicContact CD1-CD2 4.44Å; L357-Y830 HydrophobicContact CD1-CE1 3.73Å; L357-Y830 HydrophobicContact CD1-CG 3.97Å; L357-Y830 HydrophobicContact CD2-CD1 3.82Å; L357-Y830 HydrophobicContact CD2-CG 3.98Å; L357-Y830 HydrophobicContact CG-CD1 4.27Å
358	E	85.7	Confident	72.4	Confident	42 Å²	42	31.5 Å²	31.5	20%	0.196	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	153.6	-175.9	64.5	179.9	-164	0	0	112.4	K360 P392 Q393 L456	E358-K360 HydrophobicContact CG-CG 4.44Å; E358-K360 VanDerWaalsContact OE1-CE 3.3Å; E358-K360 WeakPolarHBondContact OE1-CE 3.11Å; E358-P392 CarbonylContact C-O 3.58Å; E358-P392 VanDerWaalsContact CA-O 3.23Å; E358-P392 WeakPolarHBondContact CA-O 3.42Å; E358-Q393 HydrophobicContact CB-CB 4.48Å; E358-Q393 HydrophobicContact CB-CG 3.89Å; E358-Q393 PolarHBondContact OE2-NE2 3.25Å; E358-L456 HydrophobicContact CG-CB 3.88Å; E358-L456 HydrophobicContact CG-CD2 4.07Å; E358-L456 PolarHBondContact N-O 3.17Å; E358-L456 PolarHBondContact O-N 3.49Å
359	G	83.1	Confident	73.7	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	140.7	156.9	0	0	0	0	0	109.3	N391 P392 A454	G359-N391 CarbonylContact O-C 3.59Å; G359-N391 WeakPolarHBondContact O-CA 3.27Å; G359-P392 PolarHBondContact N-O 3.21Å; G359-P392 WeakPolarHBondContact O-CD 3.16Å; G359-A454 CarbonylContact C-O 3.47Å; G359-A454 WeakPolarHBondContact CA-O 3.43Å
360	K	81.3	Confident	74.7	Confident	65 Å²	65	29.8 Å²	29.8	28%	0.283	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	129.6	171.6	-60.8	-175.1	-164.5	165.1	0	109.8	E358 V362 N391 E445 G453 A454	E358-K360 HydrophobicContact CG-CG 4.44Å; E358-K360 VanDerWaalsContact OE1-CE 3.3Å; E358-K360 WeakPolarHBondContact OE1-CE 3.11Å; K360-V362 VanDerWaalsContact C-N 3.34Å; K360-V362 PolarHBondContact O-N 3.35Å; K360-N391 WeakPolarHBondContact CA-OD1 3.45Å; K360-E445 VanDerWaalsContact CD-OE1 3.31Å; K360-E445 WeakPolarHBondContact CD-OE1 3.45Å; K360-E445 WeakPolarHBondContact CE-OE1 3.4Å; K360-E445 VanDerWaalsContact NZ-CD 3.27Å; K360-E445 IonicContact NZ-OE1 3.7Å; K360-E445 PolarHBondContact NZ-OE1 3.43Å; K360-E445 IonicContact NZ-OE2 3.67Å; K360-E445 PolarHBondContact NZ-OE2 2.79Å; K360-G453 WeakPolarHBondContact O-CA 3.08Å; K360-A454 PolarHBondContact N-O 3.45Å; K360-A454 PolarHBondContact O-N 3.37Å
361	N	74.1	Confident	75.7	Confident	91 Å²	91	29.7 Å²	29.7	49%	0.487	17%	0.171	S	C	.	.	S	Bend	trans	50	45.3	176.6	-169.7	37.7	0	0	0	114	S363 E390 N391 Q452 G453	N361-S363 PolarHBondContact O-N 3.11Å; N361-E390 CarbonylContact C-O 3.59Å; N361-E390 VanDerWaalsContact CA-O 3.31Å; N361-E390 WeakPolarHBondContact CA-O 3.45Å; N361-E390 PolarHBondContact N-O 2.7Å; N361-E390 VanDerWaalsContact N-O 3.09Å; N361-N391 PolarHBondContact N-OD1 2.72Å; N361-Q452 CarbonylContact O-C 3.55Å; N361-G453 WeakPolarHBondContact O-CA 3.46Å
362	V	74.9	Confident	76.4	Confident	3 Å²	3	28.7 Å²	28.7	2%	0.018	17%	0.167	C	C	.	.			trans	-82.9	103.4	-176.5	-177.3	0	0	0	0	110.1	K360 G364 M370 E390 P392 L448	K360-V362 VanDerWaalsContact C-N 3.34Å; K360-V362 PolarHBondContact O-N 3.35Å; V362-G364 PolarHBondContact O-N 2.81Å; V362-M370 HydrophobicContact CG1-CE 4.13Å; V362-M370 HydrophobicContact CG1-SD 4.38Å; V362-E390 PolarHBondContact N-O 3.45Å; V362-P392 HydrophobicContact CG2-CG 4.45Å; V362-L448 HydrophobicContact CG1-CD1 4.28Å; V362-L448 HydrophobicContact CG2-CD1 4.32Å
363	S	65.4	Low	76.9	Confident	60 Å²	60	30.9 Å²	30.9	42%	0.42	18%	0.177	S	C	.	.			trans	-73.2	79.8	-173.4	61.4	0	0	0	0	114	N361 G365	N361-S363 PolarHBondContact O-N 3.11Å; S363-G365 PolarHBondContact O-N 2.77Å
364	G	61.7	Low	77.4	Confident	4 Å²	4	30.9 Å²	30.9	4%	0.041	18%	0.177	C	C	.	.			trans	-69.3	6.9	-172.9	0	0	0	0	0	119	V362 N366 M367	V362-G364 PolarHBondContact O-N 2.81Å; G364-N366 PolarHBondContact O-N 3.3Å; G364-M367 WeakPolarHBondContact O-CB 3.32Å; G364-M367 PolarHBondContact O-N 3.43Å
365	G	66.4	Low	77.4	Confident	49 Å²	49	33.2 Å²	33.2	51%	0.505	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	-126.8	177.9	0	0	0	0	0	113.9	S363 K388	S363-G365 PolarHBondContact O-N 2.77Å; G365-K388 PolarHBondContact O-NZ 2.7Å
366	N	60.2	Low	77.3	Confident	150 Å²	150	33.2 Å²	33.2	80%	0.802	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-4.2	178.1	-72.6	-16.5	0	0	0	114.4	G364	G364-N366 PolarHBondContact O-N 3.3Å
367	M	66.1	Low	76.8	Confident	17 Å²	17	35.3 Å²	35.3	8%	0.084	21%	0.207	C	C	.	.			trans	-71.3	141.2	-175	-58.2	-62.8	145.5	0	0	111.6	G364 K388 D418 E424 L426	G364-M367 WeakPolarHBondContact O-CB 3.32Å; G364-M367 PolarHBondContact O-N 3.43Å; M367-K388 WeakPolarHBondContact O-CD 3.17Å; M367-D418 HydrophobicContact SD-CB 3.97Å; M367-E424 HydrophobicContact CE-CB 3.99Å; M367-E424 WeakPolarHBondContact CE-OE2 3.24Å; M367-L426 HydrophobicContact CG-CD2 4.39Å
368	T	62.8	Low	76.1	Confident	44 Å²	44	41.3 Å²	41.3	27%	0.27	24%	0.235	S	C	.	.	S	Bend	trans	-99	-20.6	-179.5	51.3	0	0	0	0	113.2	C387 K388 K417 N419	T368-C387 CarbonylContact O-C 3.58Å; T368-C387 WeakPolarHBondContact O-CA 3.5Å; T368-K388 PolarHBondContact O-N 2.96Å; T368-K417 PolarHBondContact N-O 3.21Å; T368-K417 PolarHBondContact OG1-O 2.86Å; T368-N419 WeakPolarHBondContact CB-OD1 3.15Å; T368-N419 WeakPolarHBondContact CG2-OD1 3.15Å; T368-N419 PolarHBondContact OG1-N 3.19Å; T368-N419 PolarHBondContact OG1-OD1 3.36Å
369	E	80.3	Confident	75.2	Confident	54 Å²	54	41 Å²	41	25%	0.252	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	152.1	-180	-83.4	177.5	-131.2	0	0	111.2	T385 L386 G416 K417	E369-T385 HydrophobicContact CB-CG2 3.59Å; E369-T385 HydrophobicContact CG-CG2 3.88Å; E369-T385 VanDerWaalsContact OE2-CG2 3.26Å; E369-T385 WeakPolarHBondContact OE2-CG2 3.41Å; E369-L386 CarbonylContact C-O 3.58Å; E369-L386 VanDerWaalsContact CA-O 3.3Å; E369-L386 WeakPolarHBondContact CA-O 3.38Å; E369-G416 CarbonylContact O-C 3.54Å; E369-G416 VanDerWaalsContact O-CA 3.31Å; E369-G416 WeakPolarHBondContact O-CA 3.45Å; E369-K417 HydrophobicContact CB-CB 3.88Å; E369-K417 HydrophobicContact CB-CG 4.35Å; E369-K417 PolarHBondContact N-O 3.39Å; E369-K417 PolarHBondContact O-N 3.35Å; E369-K417 IonicContact OE1-NZ 2.83Å; E369-K417 PolarHBondContact OE1-NZ 3.03Å; E369-K417 IonicContact OE2-NZ 2.77Å; E369-K417 PolarHBondContact OE2-NZ 3.38Å
370	M	81.9	Confident	75.1	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	140.3	177.1	-69.5	-179.8	175.2	0	0	112.3	V362 T385 L386 P392 W394 W415 L426	V362-M370 HydrophobicContact CG1-CE 4.13Å; V362-M370 HydrophobicContact CG1-SD 4.38Å; M370-T385 CarbonylContact O-C 3.47Å; M370-T385 VanDerWaalsContact O-CA 3.31Å; M370-T385 WeakPolarHBondContact O-CA 3.35Å; M370-L386 PolarHBondContact N-O 3.06Å; M370-L386 PolarHBondContact O-N 2.83Å; M370-P392 HydrophobicContact SD-CG 4.17Å; M370-W394 HydrophobicContact CB-CZ2 4.39Å; M370-W415 CarbonylContact C-O 3.52Å; M370-W415 WeakPolarHBondContact CA-O 3.28Å; M370-L426 HydrophobicContact CE-CD1 4.15Å; M370-L426 HydrophobicContact CG-CD1 4.2Å
371	F	86.3	Confident	74.9	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	161	169.6	64.1	-91.5	0	0	0	111.5	K382 T385 W415 E423	F371-K382 HydrophobicContact CD2-CD 3.74Å; F371-K382 VanDerWaalsContact CD2-CE 3.44Å; F371-K382 HydrophobicContact CD2-CG 3.6Å; F371-K382 VanDerWaalsContact CE1-NZ 3.32Å; F371-K382 HydrophobicContact CE2-CD 3.63Å; F371-K382 HydrophobicContact CE2-CG 4.01Å; F371-K382 HydrophobicContact CG-CD 4.32Å; F371-K382 HydrophobicContact CG-CG 4.17Å; F371-K382 HydrophobicContact CZ-CD 4.17Å; F371-T385 HydrophobicContact CB-CG2 4.49Å; F371-T385 HydrophobicContact CD1-CG2 4.38Å; F371-W415 HydrophobicContact CD1-CB 4.13Å; F371-W415 HydrophobicContact CD2-CB 3.9Å; F371-W415 HydrophobicContact CD2-CG 4.42Å; F371-W415 HydrophobicContact CE1-CB 3.61Å; F371-W415 HydrophobicContact CE1-CG 4.49Å; F371-W415 HydrophobicContact CE2-CB 3.37Å; F371-W415 AromaticContact CE2-CD1 3.77Å; F371-W415 HydrophobicContact CE2-CD2 4.48Å; F371-W415 AromaticContact CE2-CG 3.6Å; F371-W415 HydrophobicContact CE2-CG 3.6Å; F371-W415 HydrophobicContact CG-CB 4.25Å; F371-W415 HydrophobicContact CZ-CB 3.19Å; F371-W415 HydrophobicContact CZ-CD2 4.24Å; F371-W415 AromaticContact CZ-CG 3.63Å; F371-W415 HydrophobicContact CZ-CG 3.63Å; F371-W415 PolarHBondContact N-O 2.91Å; F371-W415 PolarHBondContact O-N 2.67Å; F371-E423 HydrophobicContact CE1-CG 4.3Å; F371-E423 VanDerWaalsContact CE1-OE1 3.26Å; F371-E423 WeakPolarHBondContact CE1-OE1 3.48Å; F371-E423 WeakPolarHBondContact CZ-OE2 3.42Å
372	V	86.4	Confident	75.3	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.006	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	135.2	172.3	-174.3	0	0	0	0	109.2	L356 L374 S383 W394 I412 V414 L455	L356-V372 HydrophobicContact CD1-CG2 4.27Å; L356-V372 HydrophobicContact CD2-CB 3.76Å; L356-V372 HydrophobicContact CD2-CG1 4.31Å; L356-V372 HydrophobicContact CD2-CG2 3.78Å; V372-L374 HydrophobicContact CG1-CD2 3.78Å; V372-L374 HydrophobicContact CG1-CG 4.24Å; V372-S383 PolarHBondContact N-OG 3.12Å; V372-S383 PolarHBondContact O-N 3.39Å; V372-S383 PolarHBondContact O-OG 2.84Å; V372-W394 HydrophobicContact CG2-CD2 4.12Å; V372-W394 HydrophobicContact CG2-CE3 4.09Å; V372-W394 HydrophobicContact CG2-CH2 3.59Å; V372-W394 HydrophobicContact CG2-CZ2 3.62Å; V372-W394 HydrophobicContact CG2-CZ3 3.83Å; V372-I412 HydrophobicContact CG1-CG2 3.9Å; V372-V414 HydrophobicContact CG2-CG2 4.32Å; V372-L455 HydrophobicContact CG1-CD2 4.26Å; V372-L455 HydrophobicContact CG2-CD1 4.4Å
373	Q	87.8	Confident	75.8	Confident	46 Å²	46	47.5 Å²	47.5	22%	0.215	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	121.1	170.6	-173.2	176.6	-92.1	0	0	109.1	Y381 E413	Q373-Y381 CarbonylContact C-O 3.48Å; Q373-Y381 VanDerWaalsContact CA-O 3.25Å; Q373-Y381 WeakPolarHBondContact CA-O 3.27Å; Q373-Y381 WeakPolarHBondContact CG-O 3.43Å; Q373-E413 HydrophobicContact CB-CB 4.41Å; Q373-E413 PolarHBondContact N-O 2.88Å; Q373-E413 PolarHBondContact NE2-OE2 2.67Å; Q373-E413 PolarHBondContact O-N 3.28Å
374	L	87.6	Confident	76.5	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	133.3	179.6	-57.7	175.6	0	0	0	109.1	I354 V372 R380 Y381 F398 F400 I412 M457	I354-L374 HydrophobicContact CG2-CD1 4.17Å; V372-L374 HydrophobicContact CG1-CD2 3.78Å; V372-L374 HydrophobicContact CG1-CG 4.24Å; L374-R380 CarbonylContact O-C 3.56Å; L374-R380 VanDerWaalsContact O-CA 3.32Å; L374-R380 WeakPolarHBondContact O-CA 3.49Å; L374-Y381 PolarHBondContact N-O 3.07Å; L374-Y381 PolarHBondContact O-N 3.33Å; L374-F398 HydrophobicContact CD1-CB 4.48Å; L374-F398 HydrophobicContact CD1-CD2 3.4Å; L374-F398 HydrophobicContact CD1-CE2 3.74Å; L374-F398 HydrophobicContact CD1-CG 4.01Å; L374-F400 HydrophobicContact CB-CE2 4.13Å; L374-F400 HydrophobicContact CB-CZ 3.65Å; L374-F400 HydrophobicContact CD1-CE2 4.41Å; L374-I412 HydrophobicContact CD2-CB 4.3Å; L374-I412 HydrophobicContact CD2-CG1 3.87Å; L374-I412 HydrophobicContact CD2-CG2 3.92Å; L374-M457 HydrophobicContact CD1-CE 4.1Å; L374-M457 HydrophobicContact CD2-CE 3.77Å; L374-M457 HydrophobicContact CD2-SD 4.46Å
375	K	84.8	Confident	77.3	Confident	49 Å²	49	52.2 Å²	52.2	21%	0.213	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	127.8	-175	163.1	170.3	164.1	-87.3	0	112	Q379 R380 D411	K375-Q379 WeakPolarHBondContact CA-O 3.42Å; K375-R380 HydrophobicContact CB-CG 4.26Å; K375-R380 HydrophobicContact CD-CG 4.27Å; K375-R380 HydrophobicContact CG-CG 4.21Å; K375-D411 HydrophobicContact CB-CB 4.14Å; K375-D411 HydrophobicContact CG-CB 4.31Å; K375-D411 PolarHBondContact N-O 3.26Å; K375-D411 IonicContact NZ-OD2 3.24Å; K375-D411 PolarHBondContact NZ-OD2 3.49Å; K375-D411 PolarHBondContact O-N 3.02Å
376	L	80.8	Confident	77.6	Confident	13 Å²	13	52 Å²	52	7%	0.068	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	100	174.8	-174.5	60.2	0	0	0	109.7	I352 E378 Q379 F400 I409 L410 I433	I352-L376 HydrophobicContact CD1-CD2 3.51Å; L376-E378 PolarHBondContact O-N 3.08Å; L376-E378 VanDerWaalsContact O-N 3.1Å; L376-Q379 PolarHBondContact N-O 2.9Å; L376-Q379 PolarHBondContact O-N 3.24Å; L376-Q379 VanDerWaalsContact O-N 3.13Å; L376-F400 HydrophobicContact CB-CD1 3.5Å; L376-F400 VanDerWaalsContact CB-CD1 3.5Å; L376-F400 HydrophobicContact CB-CE1 3.7Å; L376-F400 HydrophobicContact CB-CG 4.33Å; L376-F400 HydrophobicContact CD2-CB 3.97Å; L376-F400 HydrophobicContact CD2-CD1 4.21Å; L376-F400 HydrophobicContact CD2-CG 4.33Å; L376-F400 HydrophobicContact CG-CD1 4.49Å; L376-I409 WeakPolarHBondContact CD1-O 3.13Å; L376-L410 HydrophobicContact CB-CD1 4.26Å; L376-I433 HydrophobicContact CD1-CD1 3.54Å; L376-I433 HydrophobicContact CD2-CD1 3.81Å; L376-I433 HydrophobicContact CG-CD1 4.31Å
377	G	73.8	Confident	77.5	Confident	43 Å²	43	49.8 Å²	49.8	44%	0.443	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	-110.1	-171.4	0	0	0	0	0	111.7
378	E	66.3	Low	77.5	Confident	135 Å²	135	54.9 Å²	54.9	63%	0.631	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-26.5	178.9	-73.2	161.3	-132.7	0	0	113.2	L376 R406	L376-E378 PolarHBondContact O-N 3.08Å; L376-E378 VanDerWaalsContact O-N 3.1Å; E378-R406 IonicContact OE1-CZ 3.11Å; E378-R406 IonicContact OE1-NH1 3.35Å; E378-R406 PolarHBondContact OE1-NH1 2.88Å; E378-R406 IonicContact OE1-NH2 2.7Å; E378-R406 PolarHBondContact OE1-NH2 3.32Å; E378-R406 IonicContact OE2-NH2 3.2Å
379	Q	67.7	Low	77.8	Confident	35 Å²	35	55.3 Å²	55.3	16%	0.164	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	135.9	178.9	-69.7	165	84.7	0	0	110.6	K375 L376 F400 H401	K375-Q379 WeakPolarHBondContact CA-O 3.42Å; L376-Q379 PolarHBondContact N-O 2.9Å; L376-Q379 PolarHBondContact O-N 3.24Å; L376-Q379 VanDerWaalsContact O-N 3.13Å; Q379-F400 HydrophobicContact CB-CD1 3.81Å; Q379-F400 HydrophobicContact CB-CE1 4.06Å; Q379-H401 PolarHBondContact NE2-O 2.82Å
380	R	81.1	Confident	77.1	Confident	162 Å²	162	59.4 Å²	59.4	61%	0.611	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.3	141.1	178.9	-53.6	-176.5	-164.4	-175.2	5.2	110.7	L374 K375	L374-R380 CarbonylContact O-C 3.56Å; L374-R380 VanDerWaalsContact O-CA 3.32Å; L374-R380 WeakPolarHBondContact O-CA 3.49Å; K375-R380 HydrophobicContact CB-CG 4.26Å; K375-R380 HydrophobicContact CD-CG 4.27Å; K375-R380 HydrophobicContact CG-CG 4.21Å
381	Y	76.5	Confident	76.8	Confident	32 Å²	32	63.3 Å²	63.3	13%	0.125	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	150.4	173	-63.8	-103	0	0	0	110.1	Q373 L374 F398 D399 F400 F639	Q373-Y381 CarbonylContact C-O 3.48Å; Q373-Y381 VanDerWaalsContact CA-O 3.25Å; Q373-Y381 WeakPolarHBondContact CA-O 3.27Å; Q373-Y381 WeakPolarHBondContact CG-O 3.43Å; L374-Y381 PolarHBondContact N-O 3.07Å; L374-Y381 PolarHBondContact O-N 3.33Å; Y381-F398 HydrophobicContact CD1-CB 4.22Å; Y381-F398 AromaticContact CD1-CD1 3.5Å; Y381-F398 HydrophobicContact CD1-CD1 3.5Å; Y381-F398 VanDerWaalsContact CD1-CD1 3.5Å; Y381-F398 HydrophobicContact CD1-CE1 4.32Å; Y381-F398 HydrophobicContact CD1-CG 4.27Å; Y381-F398 HydrophobicContact CD2-CB 4.46Å; Y381-F398 HydrophobicContact CE1-CB 4.18Å; Y381-F398 HydrophobicContact CE1-CD1 4.11Å; Y381-F398 HydrophobicContact CE2-CB 4.43Å; Y381-F398 HydrophobicContact CG-CB 4.32Å; Y381-F398 AromaticContact CG-CD1 3.82Å; Y381-F398 HydrophobicContact CG-CD1 3.82Å; Y381-F398 HydrophobicContact CG-CG 4.35Å; Y381-D399 PolarHBondContact OH-O 3.5Å; Y381-F400 HydrophobicContact CD2-CD1 4.17Å; Y381-F400 HydrophobicContact CD2-CD2 4.35Å; Y381-F400 AromaticContact CD2-CE1 3.5Å; Y381-F400 HydrophobicContact CD2-CE1 3.5Å; Y381-F400 VanDerWaalsContact CD2-CE1 3.5Å; Y381-F400 AromaticContact CD2-CE2 3.69Å; Y381-F400 HydrophobicContact CD2-CE2 3.69Å; Y381-F400 AromaticContact CD2-CZ 3.23Å; Y381-F400 HydrophobicContact CD2-CZ 3.23Å; Y381-F400 AromaticContact CE2-CD1 3.65Å; Y381-F400 HydrophobicContact CE2-CD1 3.65Å; Y381-F400 AromaticContact CE2-CD2 3.84Å; Y381-F400 HydrophobicContact CE2-CD2 3.84Å; Y381-F400 AromaticContact CE2-CE1 3.48Å; Y381-F400 HydrophobicContact CE2-CE1 3.48Å; Y381-F400 VanDerWaalsContact CE2-CE1 3.48Å; Y381-F400 AromaticContact CE2-CE2 3.65Å; Y381-F400 HydrophobicContact CE2-CE2 3.65Å; Y381-F400 AromaticContact CE2-CG 3.85Å; Y381-F400 HydrophobicContact CE2-CG 3.85Å; Y381-F400 AromaticContact CE2-CZ 3.49Å; Y381-F400 HydrophobicContact CE2-CZ 3.49Å; Y381-F400 VanDerWaalsContact CE2-CZ 3.49Å; Y381-F400 HydrophobicContact CG-CZ 4.35Å; Y381-F639 HydrophobicContact CD1-CD1 4.34Å; Y381-F639 HydrophobicContact CD1-CE1 4.48Å; Y381-F639 AromaticContact CE1-CD1 3.53Å; Y381-F639 HydrophobicContact CE1-CD1 3.53Å; Y381-F639 AromaticContact CE1-CE1 3.31Å; Y381-F639 HydrophobicContact CE1-CE1 3.31Å; Y381-F639 HydrophobicContact CE1-CZ 4.1Å; Y381-F639 AromaticContact CZ-CD1 3.96Å; Y381-F639 AromaticContact CZ-CE1 3.45Å; Y381-F639 VanDerWaalsContact CZ-CE1 3.45Å; Y381-F639 AromaticContact CZ-CZ 3.74Å; Y381-F639 WeakPolarHBondContact OH-CE1 3.35Å; Y381-F639 WeakPolarHBondContact OH-CZ 3.44Å
382	K	82.1	Confident	76.5	Confident	93 Å²	93	63.4 Å²	63.4	40%	0.404	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	127.7	169.6	180	158	174.3	162.8	0	107.4	F371 E423	F371-K382 HydrophobicContact CD2-CD 3.74Å; F371-K382 VanDerWaalsContact CD2-CE 3.44Å; F371-K382 HydrophobicContact CD2-CG 3.6Å; F371-K382 VanDerWaalsContact CE1-NZ 3.32Å; F371-K382 HydrophobicContact CE2-CD 3.63Å; F371-K382 HydrophobicContact CE2-CG 4.01Å; F371-K382 HydrophobicContact CG-CD 4.32Å; F371-K382 HydrophobicContact CG-CG 4.17Å; F371-K382 HydrophobicContact CZ-CD 4.17Å; K382-E423 IonicContact NZ-OE1 3.18Å; K382-E423 PolarHBondContact NZ-OE1 2.85Å; K382-E423 IonicContact NZ-OE2 2.69Å; K382-E423 PolarHBondContact NZ-OE2 3.44Å; K382-E423 VanDerWaalsContact NZ-OE2 3.16Å
383	S	85.1	Confident	76.2	Confident	9 Å²	9	68.3 Å²	68.3	6%	0.063	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-68	171.9	176.5	73.5	0	0	0	0	111.3	V372 T385 W394 E396	V372-S383 PolarHBondContact N-OG 3.12Å; V372-S383 PolarHBondContact O-N 3.39Å; V372-S383 PolarHBondContact O-OG 2.84Å; S383-T385 PolarHBondContact O-N 2.76Å; S383-W394 PolarHBondContact OG-NE1 2.9Å; S383-E396 VanDerWaalsContact CA-OE2 3.3Å; S383-E396 WeakPolarHBondContact CA-OE2 3.44Å; S383-E396 WeakPolarHBondContact CB-OE2 3.23Å
384	K	80.2	Confident	75.8	Confident	103 Å²	103	66.5 Å²	66.5	45%	0.448	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-48.9	139.3	157.5	-72.4	-177.3	-159.1	82.9	0	109.8	W394 E396	K384-W394 VanDerWaalsContact O-CD1 3.27Å; K384-W394 PolarHBondContact O-NE1 2.86Å; K384-E396 WeakPolarHBondContact CE-OE1 3.39Å; K384-E396 WeakPolarHBondContact CG-OE1 3.48Å; K384-E396 PolarHBondContact N-OE2 2.74Å; K384-E396 VanDerWaalsContact NZ-CD 3.32Å; K384-E396 IonicContact NZ-OE1 2.75Å; K384-E396 PolarHBondContact NZ-OE1 2.98Å
385	T	79.1	Confident	75.4	Confident	60 Å²	60	69.4 Å²	69.4	37%	0.368	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-80.5	130.5	165.3	-43.7	0	0	0	0	109.5	E369 M370 F371 S383	E369-T385 HydrophobicContact CB-CG2 3.59Å; E369-T385 HydrophobicContact CG-CG2 3.88Å; E369-T385 VanDerWaalsContact OE2-CG2 3.26Å; E369-T385 WeakPolarHBondContact OE2-CG2 3.41Å; M370-T385 CarbonylContact O-C 3.47Å; M370-T385 VanDerWaalsContact O-CA 3.31Å; M370-T385 WeakPolarHBondContact O-CA 3.35Å; F371-T385 HydrophobicContact CB-CG2 4.49Å; F371-T385 HydrophobicContact CD1-CG2 4.38Å; S383-T385 PolarHBondContact O-N 2.76Å
386	L	72.9	Confident	75.1	Confident	44 Å²	44	68 Å²	68	23%	0.23	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	149.7	177.2	-61	177.8	0	0	0	110	E369 M370 P392 Q393 W394	E369-L386 CarbonylContact C-O 3.58Å; E369-L386 VanDerWaalsContact CA-O 3.3Å; E369-L386 WeakPolarHBondContact CA-O 3.38Å; M370-L386 PolarHBondContact N-O 3.06Å; M370-L386 PolarHBondContact O-N 2.83Å; L386-P392 HydrophobicContact CD1-CB 4.01Å; L386-Q393 WeakPolarHBondContact CD1-O 3.45Å; L386-W394 HydrophobicContact CD1-CD2 4.08Å; L386-W394 HydrophobicContact CD1-CG 3.85Å
387	C	57.8	Low	75	Confident	104 Å²	104	71.5 Å²	71.5	70%	0.703	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	152.8	169.3	-58.7	0	0	0	0	110.8	T368 S389	T368-C387 CarbonylContact O-C 3.58Å; T368-C387 WeakPolarHBondContact O-CA 3.5Å; C387-S389 PolarHBondContact O-N 3.41Å; C387-S389 VanDerWaalsContact O-N 3.12Å
388	K	66.2	Low	75.3	Confident	123 Å²	123	70.4 Å²	70.4	54%	0.535	34%	0.341	S	S	.	.			trans	-46.1	115.8	-178.3	-175.1	-177	-178.4	169.9	0	112.7	G365 M367 T368	G365-K388 PolarHBondContact O-NZ 2.7Å; M367-K388 WeakPolarHBondContact O-CD 3.17Å; T368-K388 PolarHBondContact O-N 2.96Å
389	S	69.9	Low	75.7	Confident	53 Å²	53	64.8 Å²	64.8	37%	0.371	32%	0.315	S	S	.	.			trans	-134.7	147.8	168.4	178.2	0	0	0	0	107.6	C387 N391	C387-S389 PolarHBondContact O-N 3.41Å; C387-S389 VanDerWaalsContact O-N 3.12Å; S389-N391 VanDerWaalsContact C-N 3.25Å; S389-N391 VanDerWaalsContact OG-C 3.27Å; S389-N391 PolarHBondContact OG-N 3.17Å; S389-N391 PolarHBondContact OG-O 3Å
390	E	64.1	Low	76	Confident	140 Å²	140	63.1 Å²	63.1	65%	0.654	31%	0.307	S	S	*	.	S	Bend	trans	-70.2	-28.6	171.6	-64.9	174.1	168.6	0	0	111.2	N361 V362	N361-E390 CarbonylContact C-O 3.59Å; N361-E390 VanDerWaalsContact CA-O 3.31Å; N361-E390 WeakPolarHBondContact CA-O 3.45Å; N361-E390 PolarHBondContact N-O 2.7Å; N361-E390 VanDerWaalsContact N-O 3.09Å; V362-E390 PolarHBondContact N-O 3.45Å
391	N	76.8	Confident	75.5	Confident	84 Å²	84	55.9 Å²	55.9	45%	0.449	28%	0.281	S	S	.	.	S	Bend	trans	-123.5	83.6	172.9	-57.4	-58.2	0	0	0	109.5	G359 K360 N361 S389	G359-N391 CarbonylContact O-C 3.59Å; G359-N391 WeakPolarHBondContact O-CA 3.27Å; K360-N391 WeakPolarHBondContact CA-OD1 3.45Å; N361-N391 PolarHBondContact N-OD1 2.72Å; S389-N391 VanDerWaalsContact C-N 3.25Å; S389-N391 VanDerWaalsContact OG-C 3.27Å; S389-N391 PolarHBondContact OG-N 3.17Å; S389-N391 PolarHBondContact OG-O 3Å
392	P	78.8	Confident	75.2	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.013	28%	0.282	C	S	.	.			trans	-73.7	123.7	177.1	27.9	-33.5	0	0	0	111.1	E358 G359 V362 M370 L386 W394	E358-P392 CarbonylContact C-O 3.58Å; E358-P392 VanDerWaalsContact CA-O 3.23Å; E358-P392 WeakPolarHBondContact CA-O 3.42Å; G359-P392 PolarHBondContact N-O 3.21Å; G359-P392 WeakPolarHBondContact O-CD 3.16Å; V362-P392 HydrophobicContact CG2-CG 4.45Å; M370-P392 HydrophobicContact SD-CG 4.17Å; L386-P392 HydrophobicContact CD1-CB 4.01Å; P392-W394 HydrophobicContact CB-CH2 3.82Å; P392-W394 HydrophobicContact CB-CZ2 3.95Å; P392-W394 HydrophobicContact CB-CZ3 4.11Å; P392-W394 HydrophobicContact CG-CH2 3.41Å; P392-W394 VanDerWaalsContact CG-CH2 3.41Å; P392-W394 HydrophobicContact CG-CZ2 4.01Å; P392-W394 HydrophobicContact CG-CZ3 3.72Å
393	Q	80.8	Confident	74.5	Confident	104 Å²	104	53.3 Å²	53.3	49%	0.486	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	111.7	175.1	-60.8	-161.7	-35.4	0	0	110.5	E358 L386	E358-Q393 HydrophobicContact CB-CB 4.48Å; E358-Q393 HydrophobicContact CB-CG 3.89Å; E358-Q393 PolarHBondContact OE2-NE2 3.25Å; L386-Q393 WeakPolarHBondContact CD1-O 3.45Å
394	W	78.8	Confident	73.2	Confident	8 Å²	8	56 Å²	56	3%	0.03	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-43.5	-179	-72.6	-80.1	0	0	0	112.6	L356 L357 M370 V372 S383 K384 L386 P392 E396 L455	L356-W394 HydrophobicContact CD1-CE3 4.18Å; L356-W394 HydrophobicContact CD2-CB 3.74Å; L356-W394 HydrophobicContact CD2-CD2 3.87Å; L356-W394 HydrophobicContact CD2-CE3 4.04Å; L356-W394 HydrophobicContact CD2-CG 3.74Å; L356-W394 HydrophobicContact CG-CB 3.93Å; L356-W394 HydrophobicContact CG-CD2 4.31Å; L356-W394 HydrophobicContact CG-CE3 4.06Å; L356-W394 HydrophobicContact CG-CG 4.29Å; L357-W394 PolarHBondContact O-N 3.36Å; M370-W394 HydrophobicContact CB-CZ2 4.39Å; V372-W394 HydrophobicContact CG2-CD2 4.12Å; V372-W394 HydrophobicContact CG2-CE3 4.09Å; V372-W394 HydrophobicContact CG2-CH2 3.59Å; V372-W394 HydrophobicContact CG2-CZ2 3.62Å; V372-W394 HydrophobicContact CG2-CZ3 3.83Å; S383-W394 PolarHBondContact OG-NE1 2.9Å; K384-W394 VanDerWaalsContact O-CD1 3.27Å; K384-W394 PolarHBondContact O-NE1 2.86Å; L386-W394 HydrophobicContact CD1-CD2 4.08Å; L386-W394 HydrophobicContact CD1-CG 3.85Å; P392-W394 HydrophobicContact CB-CH2 3.82Å; P392-W394 HydrophobicContact CB-CZ2 3.95Å; P392-W394 HydrophobicContact CB-CZ3 4.11Å; P392-W394 HydrophobicContact CG-CH2 3.41Å; P392-W394 VanDerWaalsContact CG-CH2 3.41Å; P392-W394 HydrophobicContact CG-CZ2 4.01Å; P392-W394 HydrophobicContact CG-CZ3 3.72Å; W394-E396 HydrophobicContact CB-CG 4.45Å; W394-E396 WeakPolarHBondContact O-CG 3.47Å; W394-E396 PolarHBondContact O-N 3.25Å; W394-L455 HydrophobicContact CE3-CD1 4.33Å; W394-L455 HydrophobicContact CH2-CD1 4.31Å; W394-L455 HydrophobicContact CZ3-CD1 3.58Å
395	Q	79.4	Confident	72	Confident	62 Å²	62	56.1 Å²	56.1	29%	0.29	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	47.9	58.2	-179.6	-62.3	175.5	11.8	0	0	112.2	L356 L357 I832	L356-Q395 VanDerWaalsContact O-CA 3.24Å; L356-Q395 WeakPolarHBondContact O-CA 3.39Å; L356-Q395 PolarHBondContact O-N 3.14Å; L356-Q395 VanDerWaalsContact O-N 3.08Å; L357-Q395 PolarHBondContact O-N 3.29Å; Q395-I832 HydrophobicContact CB-CG1 4.41Å; Q395-I832 WeakPolarHBondContact O-CD1 3.48Å; Q395-I832 WeakPolarHBondContact O-CG1 3.43Å
396	E	78.6	Confident	71.1	Confident	18 Å²	18	58 Å²	58	8%	0.084	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	144.2	-178.7	-60	-151.9	106.8	0	0	111.9	T355 L356 S383 K384 W394 F398	T355-E396 CarbonylContact C-O 3.34Å; T355-E396 VanDerWaalsContact CA-O 3.29Å; T355-E396 WeakPolarHBondContact CA-O 2.98Å; L356-E396 PolarHBondContact N-O 3.29Å; L356-E396 PolarHBondContact O-N 3.28Å; S383-E396 VanDerWaalsContact CA-OE2 3.3Å; S383-E396 WeakPolarHBondContact CA-OE2 3.44Å; S383-E396 WeakPolarHBondContact CB-OE2 3.23Å; K384-E396 WeakPolarHBondContact CE-OE1 3.39Å; K384-E396 WeakPolarHBondContact CG-OE1 3.48Å; K384-E396 PolarHBondContact N-OE2 2.74Å; K384-E396 VanDerWaalsContact NZ-CD 3.32Å; K384-E396 IonicContact NZ-OE1 2.75Å; K384-E396 PolarHBondContact NZ-OE1 2.98Å; W394-E396 HydrophobicContact CB-CG 4.45Å; W394-E396 WeakPolarHBondContact O-CG 3.47Å; W394-E396 PolarHBondContact O-N 3.25Å; E396-F398 HydrophobicContact CB-CE1 4.48Å; E396-F398 HydrophobicContact CB-CE2 3.74Å; E396-F398 HydrophobicContact CB-CZ 3.63Å; E396-F398 HydrophobicContact CG-CZ 4.48Å
397	Q	78.8	Confident	70.2	Confident	88 Å²	88	63.5 Å²	63.5	41%	0.411	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	136.8	175.7	-170.8	-170.1	-38.1	0	0	111.1	S353 I354 D399 I832	S353-Q397 PolarHBondContact OG-NE2 3.26Å; I354-Q397 CarbonylContact O-C 3.5Å; I354-Q397 WeakPolarHBondContact O-CA 3.49Å; Q397-D399 PolarHBondContact NE2-OD1 3.36Å; Q397-I832 HydrophobicContact CB-CD1 4.4Å
398	F	79.8	Confident	70.7	Confident	19 Å²	19	59 Å²	59	8%	0.083	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	132.6	178.9	-49.6	-84.3	0	0	0	109.4	I354 L356 L374 Y381 E396 F400	I354-F398 PolarHBondContact N-O 2.83Å; I354-F398 PolarHBondContact O-N 3.11Å; L356-F398 HydrophobicContact CB-CE2 3.97Å; L356-F398 HydrophobicContact CD2-CE2 4.33Å; L374-F398 HydrophobicContact CD1-CB 4.48Å; L374-F398 HydrophobicContact CD1-CD2 3.4Å; L374-F398 HydrophobicContact CD1-CE2 3.74Å; L374-F398 HydrophobicContact CD1-CG 4.01Å; Y381-F398 HydrophobicContact CD1-CB 4.22Å; Y381-F398 AromaticContact CD1-CD1 3.5Å; Y381-F398 HydrophobicContact CD1-CD1 3.5Å; Y381-F398 VanDerWaalsContact CD1-CD1 3.5Å; Y381-F398 HydrophobicContact CD1-CE1 4.32Å; Y381-F398 HydrophobicContact CD1-CG 4.27Å; Y381-F398 HydrophobicContact CD2-CB 4.46Å; Y381-F398 HydrophobicContact CE1-CB 4.18Å; Y381-F398 HydrophobicContact CE1-CD1 4.11Å; Y381-F398 HydrophobicContact CE2-CB 4.43Å; Y381-F398 HydrophobicContact CG-CB 4.32Å; Y381-F398 AromaticContact CG-CD1 3.82Å; Y381-F398 HydrophobicContact CG-CD1 3.82Å; Y381-F398 HydrophobicContact CG-CG 4.35Å; E396-F398 HydrophobicContact CB-CE1 4.48Å; E396-F398 HydrophobicContact CB-CE2 3.74Å; E396-F398 HydrophobicContact CB-CZ 3.63Å; E396-F398 HydrophobicContact CG-CZ 4.48Å; F398-F400 HydrophobicContact CB-CD2 4.41Å; F398-F400 HydrophobicContact CB-CE2 4.04Å
399	D	75.5	Confident	71.5	Confident	18 Å²	18	56 Å²	56	10%	0.096	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	92.4	-172.6	-83.1	4.5	0	0	0	111.2	I351 I352 S353 Y381 Q397	I351-D399 HydrophobicContact CG2-CB 3.8Å; I352-D399 CarbonylContact O-C 3.52Å; I352-D399 WeakPolarHBondContact O-CA 3.36Å; S353-D399 VanDerWaalsContact CA-OD1 3.25Å; S353-D399 WeakPolarHBondContact CA-OD1 3.24Å; S353-D399 WeakPolarHBondContact CB-OD1 3.34Å; S353-D399 PolarHBondContact OG-OD1 2.72Å; Y381-D399 PolarHBondContact OH-O 3.5Å; Q397-D399 PolarHBondContact NE2-OD1 3.36Å
400	F	73.3	Confident	72.3	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	146.4	-176.8	-72.5	-100.3	0	0	0	113.3	I351 I352 I354 L374 L376 Q379 Y381 F398 L410	I351-F400 CarbonylContact C-O 3.57Å; I351-F400 VanDerWaalsContact CA-O 3.31Å; I351-F400 WeakPolarHBondContact CA-O 3.15Å; I352-F400 HydrophobicContact CB-CB 4.3Å; I352-F400 HydrophobicContact CD1-CB 4.48Å; I352-F400 PolarHBondContact N-O 3.31Å; I352-F400 PolarHBondContact O-N 3.29Å; I354-F400 HydrophobicContact CD1-CD2 3.6Å; I354-F400 HydrophobicContact CD1-CE2 3.73Å; I354-F400 HydrophobicContact CG1-CD2 4.03Å; I354-F400 HydrophobicContact CG1-CE2 4.36Å; L374-F400 HydrophobicContact CB-CE2 4.13Å; L374-F400 HydrophobicContact CB-CZ 3.65Å; L374-F400 HydrophobicContact CD1-CE2 4.41Å; L376-F400 HydrophobicContact CB-CD1 3.5Å; L376-F400 VanDerWaalsContact CB-CD1 3.5Å; L376-F400 HydrophobicContact CB-CE1 3.7Å; L376-F400 HydrophobicContact CB-CG 4.33Å; L376-F400 HydrophobicContact CD2-CB 3.97Å; L376-F400 HydrophobicContact CD2-CD1 4.21Å; L376-F400 HydrophobicContact CD2-CG 4.33Å; L376-F400 HydrophobicContact CG-CD1 4.49Å; Q379-F400 HydrophobicContact CB-CD1 3.81Å; Q379-F400 HydrophobicContact CB-CE1 4.06Å; Y381-F400 HydrophobicContact CD2-CD1 4.17Å; Y381-F400 HydrophobicContact CD2-CD2 4.35Å; Y381-F400 AromaticContact CD2-CE1 3.5Å; Y381-F400 HydrophobicContact CD2-CE1 3.5Å; Y381-F400 VanDerWaalsContact CD2-CE1 3.5Å; Y381-F400 AromaticContact CD2-CE2 3.69Å; Y381-F400 HydrophobicContact CD2-CE2 3.69Å; Y381-F400 AromaticContact CD2-CZ 3.23Å; Y381-F400 HydrophobicContact CD2-CZ 3.23Å; Y381-F400 AromaticContact CE2-CD1 3.65Å; Y381-F400 HydrophobicContact CE2-CD1 3.65Å; Y381-F400 AromaticContact CE2-CD2 3.84Å; Y381-F400 HydrophobicContact CE2-CD2 3.84Å; Y381-F400 AromaticContact CE2-CE1 3.48Å; Y381-F400 HydrophobicContact CE2-CE1 3.48Å; Y381-F400 VanDerWaalsContact CE2-CE1 3.48Å; Y381-F400 AromaticContact CE2-CE2 3.65Å; Y381-F400 HydrophobicContact CE2-CE2 3.65Å; Y381-F400 AromaticContact CE2-CG 3.85Å; Y381-F400 HydrophobicContact CE2-CG 3.85Å; Y381-F400 AromaticContact CE2-CZ 3.49Å; Y381-F400 HydrophobicContact CE2-CZ 3.49Å; Y381-F400 VanDerWaalsContact CE2-CZ 3.49Å; Y381-F400 HydrophobicContact CG-CZ 4.35Å; F398-F400 HydrophobicContact CB-CD2 4.41Å; F398-F400 HydrophobicContact CB-CE2 4.04Å; F400-L410 HydrophobicContact CE1-CD1 4.45Å; F400-L410 HydrophobicContact CE2-CD1 4.29Å; F400-L410 HydrophobicContact CZ-CD1 4.05Å
401	H	70.4	Confident	73.4	Confident	10 Å²	10	48.1 Å²	48.1	5%	0.046	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	128	176.1	-55.6	168.4	0	0	0	111.1	W348 Q379 F403 D535	W348-H401 HydrophobicContact CB-CB 4.2Å; W348-H401 HydrophobicContact CD2-CB 3.84Å; W348-H401 AromaticContact CD2-CG 3.87Å; W348-H401 AromaticContact CD2-ND1 3.83Å; W348-H401 AromaticContact CE2-CG 3.87Å; W348-H401 AromaticContact CE2-ND1 3.73Å; W348-H401 HydrophobicContact CE3-CB 3.98Å; W348-H401 AromaticContact CE3-ND1 3.63Å; W348-H401 HydrophobicContact CG-CB 4.01Å; W348-H401 AromaticContact CH2-CE1 3.41Å; W348-H401 VanDerWaalsContact CH2-CE1 3.41Å; W348-H401 WeakPolarHBondContact CH2-CE1 3.25Å; W348-H401 AromaticContact CH2-ND1 3.19Å; W348-H401 WeakPolarHBondContact CH2-ND1 3.45Å; W348-H401 AromaticContact CZ2-CE1 3.44Å; W348-H401 VanDerWaalsContact CZ2-CE1 3.44Å; W348-H401 WeakPolarHBondContact CZ2-CE1 3.46Å; W348-H401 AromaticContact CZ2-CG 3.97Å; W348-H401 AromaticContact CZ2-ND1 3.39Å; W348-H401 WeakPolarHBondContact CZ2-ND1 3.39Å; W348-H401 AromaticContact CZ3-ND1 3.33Å; W348-H401 VanDerWaalsContact CZ3-ND1 3.33Å; W348-H401 WeakPolarHBondContact CZ3-ND1 3.32Å; Q379-H401 PolarHBondContact NE2-O 2.82Å; H401-F403 HydrophobicContact CB-CE2 4.35Å; H401-F403 HydrophobicContact CB-CZ 4.35Å; H401-D535 IonicContact CE1-OD1 3.29Å; H401-D535 PolarHBondContact CE1-OD1 2.73Å; H401-D535 IonicContact NE2-OD1 3.01Å
402	Y	71.3	Confident	74	Confident	39 Å²	39	44.2 Å²	44.2	15%	0.153	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	127.7	-172.9	175.9	-114.3	0	0	0	112.9	W348 N349 G350 I352 S404	W348-Y402 CarbonylContact C-O 3.57Å; W348-Y402 WeakPolarHBondContact CA-O 3.4Å; W348-Y402 WeakPolarHBondContact CB-O 3.5Å; N349-Y402 HydrophobicContact CB-CD1 4.43Å; N349-Y402 PolarHBondContact N-O 2.79Å; G350-Y402 PolarHBondContact N-O 3.24Å; G350-Y402 PolarHBondContact O-N 3.43Å; I352-Y402 HydrophobicContact CD1-CD2 4Å; I352-Y402 HydrophobicContact CD1-CG 4.21Å; I352-Y402 HydrophobicContact CG1-CG 4.49Å; Y402-S404 WeakPolarHBondContact CE1-OG 3.17Å
403	F	67.1	Low	74.5	Confident	32 Å²	32	45.3 Å²	45.3	14%	0.14	22%	0.223	C	C	.	.			trans	-116.5	114.3	175.5	-52.5	-83.7	0	0	0	108.4	Q346 L347 W348 H401 D405 R406	Q346-F403 HydrophobicContact CB-CD1 4.45Å; Q346-F403 HydrophobicContact CB-CE1 3.75Å; Q346-F403 HydrophobicContact CB-CZ 4.32Å; Q346-F403 HydrophobicContact CG-CE1 4.39Å; Q346-F403 VanDerWaalsContact NE2-CD1 3.32Å; Q346-F403 VanDerWaalsContact NE2-CZ 3.27Å; L347-F403 VanDerWaalsContact O-CD1 3.24Å; L347-F403 WeakPolarHBondContact O-CD1 3.28Å; W348-F403 HydrophobicContact CB-CD1 3.92Å; W348-F403 HydrophobicContact CB-CE1 3.53Å; W348-F403 HydrophobicContact CB-CZ 3.97Å; W348-F403 HydrophobicContact CE3-CE1 4.22Å; W348-F403 HydrophobicContact CE3-CZ 4.05Å; H401-F403 HydrophobicContact CB-CE2 4.35Å; H401-F403 HydrophobicContact CB-CZ 4.35Å; F403-D405 PolarHBondContact O-N 3.1Å; F403-R406 HydrophobicContact CB-CB 4.25Å; F403-R406 HydrophobicContact CB-CG 4.21Å; F403-R406 PolarHBondContact O-N 3.23Å; F403-R406 VanDerWaalsContact O-N 3.1Å
404	S	58.6	Low	74.9	Confident	64 Å²	64	40.3 Å²	40.3	45%	0.448	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-14.8	178.7	-54.1	0	0	0	0	113.7	N349 Y402	N349-S404 VanDerWaalsContact ND2-CB 3.27Å; N349-S404 WeakPolarHBondContact ND2-CB 3.49Å; N349-S404 PolarHBondContact ND2-N 3.07Å; N349-S404 PolarHBondContact ND2-OG 3.31Å; Y402-S404 WeakPolarHBondContact CE1-OG 3.17Å
405	D	54.9	Low	75.2	Confident	107 Å²	107	42.3 Å²	42.3	57%	0.572	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-12.4	179.8	-70.1	-21.8	0	0	0	114.3	R343 F403	R343-D405 IonicContact CZ-OD2 3.19Å; R343-D405 IonicContact NE-OD2 3.1Å; R343-D405 PolarHBondContact NE-OD2 3.48Å; R343-D405 VanDerWaalsContact NE-OD2 3.11Å; R343-D405 IonicContact NH2-OD1 2.69Å; R343-D405 PolarHBondContact NH2-OD1 2.94Å; R343-D405 IonicContact NH2-OD2 3.23Å; R343-D405 PolarHBondContact NH2-OD2 3.09Å; F403-D405 PolarHBondContact O-N 3.1Å
406	R	59.3	Low	75.5	Confident	100 Å²	100	39.4 Å²	39.4	38%	0.377	19%	0.193	S	C	.	.	S	Bend	trans	-107.9	148.5	176.6	-68.2	178.9	174.5	-117.5	20.1	108.9	E378 F403 G408	E378-R406 IonicContact OE1-CZ 3.11Å; E378-R406 IonicContact OE1-NH1 3.35Å; E378-R406 PolarHBondContact OE1-NH1 2.88Å; E378-R406 IonicContact OE1-NH2 2.7Å; E378-R406 PolarHBondContact OE1-NH2 3.32Å; E378-R406 IonicContact OE2-NH2 3.2Å; F403-R406 HydrophobicContact CB-CB 4.25Å; F403-R406 HydrophobicContact CB-CG 4.21Å; F403-R406 PolarHBondContact O-N 3.23Å; F403-R406 VanDerWaalsContact O-N 3.1Å; R406-G408 PolarHBondContact O-N 3.11Å; R406-G408 VanDerWaalsContact O-N 3.11Å
407	M	53.9	Low	75.6	Confident	158 Å²	158	40 Å²	40	78%	0.778	20%	0.196	S	C	*	.			trans	-59.9	117.3	178.4	-67.3	-178.4	71.1	0	0	110.4	I409	M407-I409 HydrophobicContact CE-CD1 3.94Å; M407-I409 PolarHBondContact O-N 3.33Å
408	G	68.4	Low	75.6	Confident	9 Å²	9	37.7 Å²	37.7	9%	0.093	19%	0.186	C	C	.	.			trans	-76.2	35.3	-174.7	0	0	0	0	0	114.7	R406 I433	R406-G408 PolarHBondContact O-N 3.11Å; R406-G408 VanDerWaalsContact O-N 3.11Å; G408-I433 WeakPolarHBondContact O-CB 3.24Å; G408-I433 WeakPolarHBondContact O-CD1 3.39Å; G408-I433 WeakPolarHBondContact O-CG1 3.47Å; G408-I433 PolarHBondContact O-N 3.34Å
409	I	83.5	Confident	75	Confident	60 Å²	60	42.7 Å²	42.7	31%	0.308	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	114.9	178.9	-56.1	176.7	0	0	0	108.8	L376 M407 K430 V431	L376-I409 WeakPolarHBondContact CD1-O 3.13Å; M407-I409 HydrophobicContact CE-CD1 3.94Å; M407-I409 PolarHBondContact O-N 3.33Å; I409-K430 HydrophobicContact CG2-CB 4.17Å; I409-K430 HydrophobicContact CG2-CG 4.43Å; I409-V431 WeakPolarHBondContact CA-O 3.42Å
410	L	85.8	Confident	74.6	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	113.3	167	-177.9	72.9	0	0	0	108.5	I354 L376 F400 I412 K430 V431 I433 I459	I354-L410 HydrophobicContact CD1-CD1 3.82Å; I354-L410 HydrophobicContact CD1-CD2 3.64Å; I354-L410 HydrophobicContact CD1-CG 4.38Å; L376-L410 HydrophobicContact CB-CD1 4.26Å; F400-L410 HydrophobicContact CE1-CD1 4.45Å; F400-L410 HydrophobicContact CE2-CD1 4.29Å; F400-L410 HydrophobicContact CZ-CD1 4.05Å; L410-I412 HydrophobicContact CD2-CD1 3.98Å; L410-I412 HydrophobicContact CD2-CG1 3.96Å; L410-I412 HydrophobicContact CG-CD1 4.48Å; L410-I412 HydrophobicContact CG-CG1 3.99Å; L410-K430 WeakPolarHBondContact O-CA 3.46Å; L410-V431 HydrophobicContact CB-CB 4.29Å; L410-V431 HydrophobicContact CD2-CB 4.5Å; L410-V431 PolarHBondContact N-O 3.4Å; L410-V431 PolarHBondContact O-N 2.83Å; L410-I433 HydrophobicContact CB-CD1 3.8Å; L410-I433 HydrophobicContact CB-CG1 4.21Å; L410-I459 HydrophobicContact CD2-CD1 4.02Å
411	D	87.7	Confident	74.3	Confident	29 Å²	29	57.2 Å²	57.2	16%	0.155	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	130.2	165.7	-69.7	-45	0	0	0	109	K375 K430	K375-D411 HydrophobicContact CB-CB 4.14Å; K375-D411 HydrophobicContact CG-CB 4.31Å; K375-D411 PolarHBondContact N-O 3.26Å; K375-D411 IonicContact NZ-OD2 3.24Å; K375-D411 PolarHBondContact NZ-OD2 3.49Å; K375-D411 PolarHBondContact O-N 3.02Å; D411-K430 IonicContact OD1-NZ 3.95Å; D411-K430 PolarHBondContact OD1-NZ 2.62Å
412	I	89.7	Confident	74.3	Confident	1 Å²	1	62.7 Å²	62.7	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	126	176	-57.2	167.6	0	0	0	107.5	V372 L374 L410 T428 C429 V431 L446 L455 M457	V372-I412 HydrophobicContact CG1-CG2 3.9Å; L374-I412 HydrophobicContact CD2-CB 4.3Å; L374-I412 HydrophobicContact CD2-CG1 3.87Å; L374-I412 HydrophobicContact CD2-CG2 3.92Å; L410-I412 HydrophobicContact CD2-CD1 3.98Å; L410-I412 HydrophobicContact CD2-CG1 3.96Å; L410-I412 HydrophobicContact CG-CD1 4.48Å; L410-I412 HydrophobicContact CG-CG1 3.99Å; I412-T428 CarbonylContact O-C 3.6Å; I412-T428 WeakPolarHBondContact O-CA 3.4Å; I412-C429 HydrophobicContact CB-CB 4.32Å; I412-C429 PolarHBondContact N-O 3.31Å; I412-C429 PolarHBondContact O-N 3.41Å; I412-V431 HydrophobicContact CD1-CG2 3.92Å; I412-L446 HydrophobicContact CD1-CD1 3.6Å; I412-L455 HydrophobicContact CG2-CD2 3.65Å; I412-M457 HydrophobicContact CD1-SD 3.75Å
413	E	89.7	Confident	74.8	Confident	25 Å²	25	64.7 Å²	64.7	12%	0.117	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	121.9	177.9	-50.3	-175.1	178	0	0	109.9	Q373 W415 R425 G427 T428	Q373-E413 HydrophobicContact CB-CB 4.41Å; Q373-E413 PolarHBondContact N-O 2.88Å; Q373-E413 PolarHBondContact NE2-OE2 2.67Å; Q373-E413 PolarHBondContact O-N 3.28Å; E413-W415 WeakPolarHBondContact OE2-CZ2 3.37Å; E413-W415 PolarHBondContact OE2-NE1 2.68Å; E413-R425 IonicContact OE1-CZ 3.98Å; E413-R425 IonicContact OE1-NE 2.67Å; E413-R425 IonicContact OE1-NH2 2.67Å; E413-R425 PolarHBondContact OE1-NH2 3.01Å; E413-R425 IonicContact OE2-CZ 3.54Å; E413-R425 VanDerWaalsContact OE2-CZ 3.29Å; E413-R425 IonicContact OE2-NE 3.57Å; E413-R425 PolarHBondContact OE2-NE 3.46Å; E413-R425 IonicContact OE2-NH2 2.67Å; E413-R425 PolarHBondContact OE2-NH2 2.87Å; E413-G427 CarbonylContact C-O 3.58Å; E413-G427 WeakPolarHBondContact CA-O 3.01Å; E413-T428 HydrophobicContact CG-CG2 4.32Å
414	V	88.2	Confident	75.6	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	129.1	170.8	-173.6	0	0	0	0	108.4	V372 L426 G427 L448	V372-V414 HydrophobicContact CG2-CG2 4.32Å; V414-L426 HydrophobicContact CG1-CB 4.34Å; V414-L426 HydrophobicContact CG1-CD1 4.45Å; V414-L426 PolarHBondContact O-N 3.04Å; V414-G427 PolarHBondContact N-O 2.8Å; V414-G427 PolarHBondContact O-N 2.82Å; V414-L448 HydrophobicContact CG2-CD1 4.18Å; V414-L448 HydrophobicContact CG2-CD2 3.66Å
415	W	85.8	Confident	76.7	Confident	50 Å²	50	70.7 Å²	70.7	19%	0.189	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	136.6	-177.4	-72.7	83.1	0	0	0	110.4	M370 F371 E413 E423 E424 R425	M370-W415 CarbonylContact C-O 3.52Å; M370-W415 WeakPolarHBondContact CA-O 3.28Å; F371-W415 HydrophobicContact CD1-CB 4.13Å; F371-W415 HydrophobicContact CD2-CB 3.9Å; F371-W415 HydrophobicContact CD2-CG 4.42Å; F371-W415 HydrophobicContact CE1-CB 3.61Å; F371-W415 HydrophobicContact CE1-CG 4.49Å; F371-W415 HydrophobicContact CE2-CB 3.37Å; F371-W415 AromaticContact CE2-CD1 3.77Å; F371-W415 HydrophobicContact CE2-CD2 4.48Å; F371-W415 AromaticContact CE2-CG 3.6Å; F371-W415 HydrophobicContact CE2-CG 3.6Å; F371-W415 HydrophobicContact CG-CB 4.25Å; F371-W415 HydrophobicContact CZ-CB 3.19Å; F371-W415 HydrophobicContact CZ-CD2 4.24Å; F371-W415 AromaticContact CZ-CG 3.63Å; F371-W415 HydrophobicContact CZ-CG 3.63Å; F371-W415 PolarHBondContact N-O 2.91Å; F371-W415 PolarHBondContact O-N 2.67Å; E413-W415 WeakPolarHBondContact OE2-CZ2 3.37Å; E413-W415 PolarHBondContact OE2-NE1 2.68Å; W415-E423 HydrophobicContact CE3-CB 4.1Å; W415-E423 HydrophobicContact CZ3-CB 4.42Å; W415-E424 CarbonylContact C-O 3.59Å; W415-E424 WeakPolarHBondContact CA-O 3.2Å; W415-E424 VanDerWaalsContact CE3-C 3.5Å; W415-R425 HydrophobicContact CD2-CB 4.09Å; W415-R425 HydrophobicContact CD2-CG 4.34Å; W415-R425 HydrophobicContact CE3-CB 4.04Å; W415-R425 HydrophobicContact CH2-CB 4.15Å; W415-R425 HydrophobicContact CZ2-CB 4.19Å; W415-R425 HydrophobicContact CZ2-CG 4.4Å; W415-R425 HydrophobicContact CZ3-CB 4.08Å
416	G	84.4	Confident	77.8	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	154.9	169.3	0	0	0	0	0	110.5	E369 E423 E424	E369-G416 CarbonylContact O-C 3.54Å; E369-G416 VanDerWaalsContact O-CA 3.31Å; E369-G416 WeakPolarHBondContact O-CA 3.45Å; G416-E423 CarbonylContact O-C 3.47Å; G416-E423 WeakPolarHBondContact O-CA 3.49Å; G416-E424 PolarHBondContact N-O 3.41Å; G416-E424 PolarHBondContact O-N 2.89Å
417	K	82	Confident	78.9	Confident	32 Å²	32	61.6 Å²	61.6	14%	0.139	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	133.4	176.7	171.9	169.2	163.7	-73.6	0	110.4	T368 E369 H422 E423	T368-K417 PolarHBondContact N-O 3.21Å; T368-K417 PolarHBondContact OG1-O 2.86Å; E369-K417 HydrophobicContact CB-CB 3.88Å; E369-K417 HydrophobicContact CB-CG 4.35Å; E369-K417 PolarHBondContact N-O 3.39Å; E369-K417 PolarHBondContact O-N 3.35Å; E369-K417 IonicContact OE1-NZ 2.83Å; E369-K417 PolarHBondContact OE1-NZ 3.03Å; E369-K417 IonicContact OE2-NZ 2.77Å; E369-K417 PolarHBondContact OE2-NZ 3.38Å; K417-H422 VanDerWaalsContact CA-O 3.3Å; K417-H422 WeakPolarHBondContact CA-O 3.49Å; K417-E423 HydrophobicContact CB-CG 4.27Å; K417-E423 HydrophobicContact CD-CG 4.09Å; K417-E423 HydrophobicContact CG-CG 4.28Å
418	D	77.4	Confident	80.5	Confident	39 Å²	39	55.5 Å²	55.5	21%	0.209	26%	0.259	C	S	.	.			trans	-88.9	160.7	174.3	175.9	45.5	0	0	0	111.2	M367 K420 K421 H422	M367-D418 HydrophobicContact SD-CB 3.97Å; D418-K420 PolarHBondContact O-N 3.06Å; D418-K420 WeakPolarHBondContact OD2-CB 3.47Å; D418-K420 PolarHBondContact OD2-N 2.91Å; D418-K421 PolarHBondContact O-N 2.89Å; D418-H422 PolarHBondContact N-O 3.01Å
419	N	67.9	Low	81.4	Confident	124 Å²	124	55.6 Å²	55.6	66%	0.663	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-25.9	174	-66.7	-29.8	0	0	0	113.4	T368 K421	T368-N419 WeakPolarHBondContact CB-OD1 3.15Å; T368-N419 WeakPolarHBondContact CG2-OD1 3.15Å; T368-N419 PolarHBondContact OG1-N 3.19Å; T368-N419 PolarHBondContact OG1-OD1 3.36Å; N419-K421 PolarHBondContact O-N 3.15Å
420	K	67.6	Low	81.7	Confident	183 Å²	183	58.3 Å²	58.3	80%	0.796	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	12.2	175.6	-64.7	176.2	-179.8	172.4	0	114.6	D418 H422	D418-K420 PolarHBondContact O-N 3.06Å; D418-K420 WeakPolarHBondContact OD2-CB 3.47Å; D418-K420 PolarHBondContact OD2-N 2.91Å; K420-H422 PolarHBondContact O-N 2.87Å
421	K	65.9	Low	81.7	Confident	139 Å²	139	58.9 Å²	58.9	60%	0.604	27%	0.271	S	S	*	.	S	Bend	trans	58.3	24.4	-173	-56.6	-175.8	-179.4	-178.9	0	113.5	D418 N419 D760	D418-K421 PolarHBondContact O-N 2.89Å; N419-K421 PolarHBondContact O-N 3.15Å; K421-D760 IonicContact NZ-OD2 3.13Å; K421-D760 PolarHBondContact NZ-OD2 3Å; K421-D760 VanDerWaalsContact NZ-OD2 3.13Å
422	H	70.3	Confident	81.5	Confident	125 Å²	125	61.2 Å²	61.2	58%	0.579	28%	0.284	S	S	*	.			trans	-81	126.1	169.1	-167.9	61.9	0	0	0	109	K417 D418 K420	K417-H422 VanDerWaalsContact CA-O 3.3Å; K417-H422 WeakPolarHBondContact CA-O 3.49Å; D418-H422 PolarHBondContact N-O 3.01Å; K420-H422 PolarHBondContact O-N 2.87Å
423	E	83.3	Confident	81.1	Confident	81 Å²	81	61.2 Å²	61.2	38%	0.379	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	124.6	176.9	-59.8	-164.7	150.7	0	0	109.7	F371 K382 W415 G416 K417	F371-E423 HydrophobicContact CE1-CG 4.3Å; F371-E423 VanDerWaalsContact CE1-OE1 3.26Å; F371-E423 WeakPolarHBondContact CE1-OE1 3.48Å; F371-E423 WeakPolarHBondContact CZ-OE2 3.42Å; K382-E423 IonicContact NZ-OE1 3.18Å; K382-E423 PolarHBondContact NZ-OE1 2.85Å; K382-E423 IonicContact NZ-OE2 2.69Å; K382-E423 PolarHBondContact NZ-OE2 3.44Å; K382-E423 VanDerWaalsContact NZ-OE2 3.16Å; W415-E423 HydrophobicContact CE3-CB 4.1Å; W415-E423 HydrophobicContact CZ3-CB 4.42Å; G416-E423 CarbonylContact O-C 3.47Å; G416-E423 WeakPolarHBondContact O-CA 3.49Å; K417-E423 HydrophobicContact CB-CG 4.27Å; K417-E423 HydrophobicContact CD-CG 4.09Å; K417-E423 HydrophobicContact CG-CG 4.28Å
424	E	82.5	Confident	80.3	Confident	104 Å²	104	63.7 Å²	63.7	49%	0.486	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	140.8	178.8	-178.2	168.8	-156.4	0	0	109.9	M367 W415 G416 L426	M367-E424 HydrophobicContact CE-CB 3.99Å; M367-E424 WeakPolarHBondContact CE-OE2 3.24Å; W415-E424 CarbonylContact C-O 3.59Å; W415-E424 WeakPolarHBondContact CA-O 3.2Å; W415-E424 VanDerWaalsContact CE3-C 3.5Å; G416-E424 PolarHBondContact N-O 3.41Å; G416-E424 PolarHBondContact O-N 2.89Å; E424-L426 PolarHBondContact O-N 2.84Å
425	R	82.1	Confident	79.7	Confident	118 Å²	118	67.6 Å²	67.6	45%	0.445	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	114.5	-179.1	-169.8	-173.4	-72.9	147.7	-12.6	110.1	E413 W415	E413-R425 IonicContact OE1-CZ 3.98Å; E413-R425 IonicContact OE1-NE 2.67Å; E413-R425 IonicContact OE1-NH2 2.67Å; E413-R425 PolarHBondContact OE1-NH2 3.01Å; E413-R425 IonicContact OE2-CZ 3.54Å; E413-R425 VanDerWaalsContact OE2-CZ 3.29Å; E413-R425 IonicContact OE2-NE 3.57Å; E413-R425 PolarHBondContact OE2-NE 3.46Å; E413-R425 IonicContact OE2-NH2 2.67Å; E413-R425 PolarHBondContact OE2-NH2 2.87Å; W415-R425 HydrophobicContact CD2-CB 4.09Å; W415-R425 HydrophobicContact CD2-CG 4.34Å; W415-R425 HydrophobicContact CE3-CB 4.04Å; W415-R425 HydrophobicContact CH2-CB 4.15Å; W415-R425 HydrophobicContact CZ2-CB 4.19Å; W415-R425 HydrophobicContact CZ2-CG 4.4Å; W415-R425 HydrophobicContact CZ3-CB 4.08Å
426	L	78.9	Confident	79.3	Confident	17 Å²	17	66.5 Å²	66.5	9%	0.089	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	-29.6	-179.6	-63.8	174.9	0	0	0	112.8	M367 M370 V414 E424 C451	M367-L426 HydrophobicContact CG-CD2 4.39Å; M370-L426 HydrophobicContact CE-CD1 4.15Å; M370-L426 HydrophobicContact CG-CD1 4.2Å; V414-L426 HydrophobicContact CG1-CB 4.34Å; V414-L426 HydrophobicContact CG1-CD1 4.45Å; V414-L426 PolarHBondContact O-N 3.04Å; E424-L426 PolarHBondContact O-N 2.84Å; L426-C451 PolarHBondContact O-SG 3.46Å
427	G	81.9	Confident	78.6	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.4	162.5	175.3	0	0	0	0	0	115	E413 V414	E413-G427 CarbonylContact C-O 3.58Å; E413-G427 WeakPolarHBondContact CA-O 3.01Å; V414-G427 PolarHBondContact N-O 2.8Å; V414-G427 PolarHBondContact O-N 2.82Å
428	T	87.8	Confident	78	Confident	29 Å²	29	72.8 Å²	72.8	18%	0.178	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	153.9	173.9	43.8	0	0	0	0	111.4	I412 E413 E449	I412-T428 CarbonylContact O-C 3.6Å; I412-T428 WeakPolarHBondContact O-CA 3.4Å; E413-T428 HydrophobicContact CG-CG2 4.32Å; T428-E449 VanDerWaalsContact CB-OE2 3.22Å; T428-E449 WeakPolarHBondContact CB-OE2 3.41Å; T428-E449 WeakPolarHBondContact O-CG 3.42Å; T428-E449 PolarHBondContact O-N 2.86Å; T428-E449 PolarHBondContact OG1-OE2 3.06Å
429	C	87.5	Confident	77.4	Confident	12 Å²	12	76.9 Å²	76.9	8%	0.081	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	161.4	162.7	-160.7	0	0	0	0	109.4	I412 P447	I412-C429 HydrophobicContact CB-CB 4.32Å; I412-C429 PolarHBondContact N-O 3.31Å; I412-C429 PolarHBondContact O-N 3.41Å; C429-P447 PolarHBondContact SG-O 2.92Å
430	K	88.4	Confident	77.7	Confident	117 Å²	117	76.8 Å²	76.8	51%	0.509	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	135	-178.4	-68.2	171	-175.9	-74	0	110.3	I409 L410 D411	I409-K430 HydrophobicContact CG2-CB 4.17Å; I409-K430 HydrophobicContact CG2-CG 4.43Å; L410-K430 WeakPolarHBondContact O-CA 3.46Å; D411-K430 IonicContact OD1-NZ 3.95Å; D411-K430 PolarHBondContact OD1-NZ 2.62Å
431	V	85.9	Confident	77.9	Confident	11 Å²	11	73.2 Å²	73.2	7%	0.067	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	123.4	176.3	-175.5	0	0	0	0	109.6	I409 L410 I412 I433 L436 L444 L446 I459	I409-V431 WeakPolarHBondContact CA-O 3.42Å; L410-V431 HydrophobicContact CB-CB 4.29Å; L410-V431 HydrophobicContact CD2-CB 4.5Å; L410-V431 PolarHBondContact N-O 3.4Å; L410-V431 PolarHBondContact O-N 2.83Å; I412-V431 HydrophobicContact CD1-CG2 3.92Å; V431-I433 PolarHBondContact O-N 2.92Å; V431-L436 HydrophobicContact CG1-CD1 4.35Å; V431-L444 HydrophobicContact CG1-CD1 3.75Å; V431-L444 HydrophobicContact CG2-CD1 4.33Å; V431-L446 HydrophobicContact CG2-CD1 3.57Å; V431-L446 HydrophobicContact CG2-CD2 3.73Å; V431-L446 HydrophobicContact CG2-CG 4.33Å; V431-I459 HydrophobicContact CG1-CD1 4.23Å
432	D	84	Confident	78.5	Confident	79 Å²	79	67.7 Å²	67.7	42%	0.422	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	103.5	167.5	-170.5	-14.2	0	0	0	109.5	S434 A435	D432-S434 VanDerWaalsContact CG-OG 3.28Å; D432-S434 PolarHBondContact O-N 3.31Å; D432-S434 VanDerWaalsContact OD1-CB 3.28Å; D432-S434 WeakPolarHBondContact OD1-CB 3.47Å; D432-S434 PolarHBondContact OD1-N 3.32Å; D432-S434 PolarHBondContact OD1-OG 2.9Å; D432-S434 PolarHBondContact OD2-OG 2.8Å; D432-A435 PolarHBondContact O-N 2.88Å
433	I	80.9	Confident	79.1	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-65.4	-25	179.8	-63.7	154.9	0	0	0	111.4	I352 L376 G408 L410 V431 A435 L436 L461	I352-I433 HydrophobicContact CD1-CD1 3.81Å; I352-I433 HydrophobicContact CD1-CG2 3.9Å; I352-I433 HydrophobicContact CG1-CG2 4.42Å; L376-I433 HydrophobicContact CD1-CD1 3.54Å; L376-I433 HydrophobicContact CD2-CD1 3.81Å; L376-I433 HydrophobicContact CG-CD1 4.31Å; G408-I433 WeakPolarHBondContact O-CB 3.24Å; G408-I433 WeakPolarHBondContact O-CD1 3.39Å; G408-I433 WeakPolarHBondContact O-CG1 3.47Å; G408-I433 PolarHBondContact O-N 3.34Å; L410-I433 HydrophobicContact CB-CD1 3.8Å; L410-I433 HydrophobicContact CB-CG1 4.21Å; V431-I433 PolarHBondContact O-N 2.92Å; I433-A435 PolarHBondContact O-N 2.83Å; I433-L436 WeakPolarHBondContact O-CB 3.18Å; I433-L436 PolarHBondContact O-N 2.63Å; I433-L436 VanDerWaalsContact O-N 3.09Å; I433-L461 HydrophobicContact CG2-CD1 3.34Å; I433-L461 HydrophobicContact CG2-CD2 4.44Å; I433-L461 HydrophobicContact CG2-CG 4.47Å
434	S	73.9	Confident	79	Confident	78 Å²	78	62.8 Å²	62.8	55%	0.545	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-69.2	-15.8	-179	74.7	0	0	0	0	113.6	D432	D432-S434 VanDerWaalsContact CG-OG 3.28Å; D432-S434 PolarHBondContact O-N 3.31Å; D432-S434 VanDerWaalsContact OD1-CB 3.28Å; D432-S434 WeakPolarHBondContact OD1-CB 3.47Å; D432-S434 PolarHBondContact OD1-N 3.32Å; D432-S434 PolarHBondContact OD1-OG 2.9Å; D432-S434 PolarHBondContact OD2-OG 2.8Å
435	A	74.9	Confident	79.2	Confident	82 Å²	82	63 Å²	63	68%	0.678	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-84.6	-10.3	173.3	0	0	0	0	0	113.9	D432 I433	D432-A435 PolarHBondContact O-N 2.88Å; I433-A435 PolarHBondContact O-N 2.83Å
436	L	76.8	Confident	79.2	Confident	27 Å²	27	58.3 Å²	58.3	14%	0.141	32%	0.319	C	S	.	.	S	Bend	trans	-88.7	139.1	-173.6	-60.2	178.6	0	0	0	112.7	V431 I433 N442 L444 I459	V431-L436 HydrophobicContact CG1-CD1 4.35Å; I433-L436 WeakPolarHBondContact O-CB 3.18Å; I433-L436 PolarHBondContact O-N 2.63Å; I433-L436 VanDerWaalsContact O-N 3.09Å; L436-N442 HydrophobicContact CD2-CB 4.18Å; L436-L444 HydrophobicContact CD1-CD1 4.42Å; L436-L444 HydrophobicContact CD2-CD1 4.38Å; L436-L444 HydrophobicContact CD2-CD2 4.37Å; L436-I459 HydrophobicContact CD1-CB 3.98Å; L436-I459 HydrophobicContact CD1-CD1 4.31Å; L436-I459 HydrophobicContact CD1-CG2 3.62Å
437	P	69.9	Low	79.5	Confident	55 Å²	55	61.8 Å²	61.8	36%	0.357	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-66.8	141.3	176.3	27.3	-35.6	0	0	0	113.1	Q440 N442	P437-Q440 HydrophobicContact CG-CB 4.38Å; P437-N442 WeakPolarHBondContact CD-OD1 3.25Å; P437-N442 WeakPolarHBondContact CG-OD1 3.43Å; P437-N442 PolarHBondContact O-ND2 2.9Å
438	L	69.8	Low	79.6	Confident	109 Å²	109	62.4 Å²	62.4	57%	0.571	35%	0.346	S	S	*	.	B	Isolated β-bridge	trans	-71.4	142.8	176.9	-73.6	140.2	0	0	0	111.9	Q440 L461 P463	L438-Q440 PolarHBondContact O-N 2.85Å; L438-L461 HydrophobicContact CD2-CB 4.21Å; L438-L461 HydrophobicContact CD2-CD2 3.87Å; L438-L461 HydrophobicContact CD2-CG 4.49Å; L438-L461 HydrophobicContact CG-CD2 4.17Å; L438-P463 HydrophobicContact CD2-CB 4.17Å; L438-P463 HydrophobicContact CD2-CG 4.16Å
439	K	65.5	Low	79.2	Confident	125 Å²	125	67.1 Å²	67.1	54%	0.543	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	24.7	178.3	-61.9	-158.1	173.5	-144.1	0	115.6	L461 P463 D498	K439-L461 WeakPolarHBondContact CA-O 3.47Å; K439-L461 PolarHBondContact N-O 3.39Å; K439-P463 HydrophobicContact CD-CG 4.5Å; K439-P463 HydrophobicContact CG-CG 4.21Å; K439-D498 IonicContact NZ-OD2 2.78Å; K439-D498 PolarHBondContact NZ-OD2 2.89Å
440	Q	73.1	Confident	78.3	Confident	122 Å²	122	70.2 Å²	70.2	57%	0.57	39%	0.388	S	S	*	.	S	Bend	trans	-121.7	148.9	169.8	-70.5	-176.5	-37.9	0	0	110.7	P437 L438 N442	P437-Q440 HydrophobicContact CG-CB 4.38Å; L438-Q440 PolarHBondContact O-N 2.85Å; Q440-N442 PolarHBondContact O-N 2.91Å; Q440-N442 PolarHBondContact O-ND2 3Å; Q440-N442 VanDerWaalsContact O-ND2 3.11Å
441	D	72.5	Confident	77.3	Confident	108 Å²	108	66.2 Å²	66.2	58%	0.578	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.6	101.1	177	-69.9	-36.9	0	0	0	109.7	C443 L458 T460	D441-C443 PolarHBondContact O-N 2.85Å; D441-L458 HydrophobicContact CB-CD1 4.01Å; D441-L458 HydrophobicContact CB-CD2 4.06Å; D441-L458 HydrophobicContact CB-CG 4.04Å; D441-T460 WeakPolarHBondContact OD1-CB 3.31Å; D441-T460 WeakPolarHBondContact OD1-CG2 3.35Å; D441-T460 PolarHBondContact OD1-OG1 2.69Å
442	N	79.8	Confident	76.5	Confident	23 Å²	23	73 Å²	73	12%	0.123	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	105	-176.3	-59.8	-78.5	0	0	0	110.2	L436 P437 Q440 L458 I459	L436-N442 HydrophobicContact CD2-CB 4.18Å; P437-N442 WeakPolarHBondContact CD-OD1 3.25Å; P437-N442 WeakPolarHBondContact CG-OD1 3.43Å; P437-N442 PolarHBondContact O-ND2 2.9Å; Q440-N442 PolarHBondContact O-N 2.91Å; Q440-N442 PolarHBondContact O-ND2 3Å; Q440-N442 VanDerWaalsContact O-ND2 3.11Å; N442-L458 CarbonylContact O-C 3.58Å; N442-L458 WeakPolarHBondContact O-CA 3.41Å; N442-I459 VanDerWaalsContact CB-O 3.3Å; N442-I459 WeakPolarHBondContact CB-O 3.45Å; N442-I459 PolarHBondContact N-O 2.82Å; N442-I459 PolarHBondContact ND2-O 3Å; N442-I459 PolarHBondContact O-N 3.45Å
443	C	82	Confident	76.2	Confident	64 Å²	64	70.2 Å²	70.2	43%	0.432	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	120	173.2	-164.2	0	0	0	0	109.5	D441 M457 L458	D441-C443 PolarHBondContact O-N 2.85Å; C443-M457 WeakPolarHBondContact CA-O 3.39Å; C443-L458 HydrophobicContact CB-CD1 3.82Å
444	L	81.5	Confident	76.4	Confident	39 Å²	39	71 Å²	71	20%	0.204	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	129.1	-177.1	-58.1	178.6	0	0	0	109.5	V431 L436 L446 M457 I459	V431-L444 HydrophobicContact CG1-CD1 3.75Å; V431-L444 HydrophobicContact CG2-CD1 4.33Å; L436-L444 HydrophobicContact CD1-CD1 4.42Å; L436-L444 HydrophobicContact CD2-CD1 4.38Å; L436-L444 HydrophobicContact CD2-CD2 4.37Å; L444-L446 HydrophobicContact CB-CD1 4.28Å; L444-L446 HydrophobicContact CB-CD2 3.96Å; L444-L446 HydrophobicContact CB-CG 3.93Å; L444-L446 HydrophobicContact CD1-CD2 4.45Å; L444-M457 PolarHBondContact N-O 2.75Å; L444-M457 PolarHBondContact O-N 2.84Å; L444-I459 HydrophobicContact CD1-CD1 3.79Å; L444-I459 HydrophobicContact CD1-CG1 4.27Å
445	E	85.6	Confident	77	Confident	108 Å²	108	67.3 Å²	67.3	51%	0.505	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	111	168.5	-179.3	151.5	-149.7	0	0	108.2	K360 A454 L456	K360-E445 VanDerWaalsContact CD-OE1 3.31Å; K360-E445 WeakPolarHBondContact CD-OE1 3.45Å; K360-E445 WeakPolarHBondContact CE-OE1 3.4Å; K360-E445 VanDerWaalsContact NZ-CD 3.27Å; K360-E445 IonicContact NZ-OE1 3.7Å; K360-E445 PolarHBondContact NZ-OE1 3.43Å; K360-E445 IonicContact NZ-OE2 3.67Å; K360-E445 PolarHBondContact NZ-OE2 2.79Å; E445-A454 HydrophobicContact CG-CB 4.03Å; E445-L456 HydrophobicContact CB-CD1 4.14Å
446	L	83.1	Confident	77.5	Confident	19 Å²	19	64.2 Å²	64.2	10%	0.099	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	105.2	-162.2	-65.2	174.9	0	0	0	110.3	I412 V431 L444 A454 L455 M457	I412-L446 HydrophobicContact CD1-CD1 3.6Å; V431-L446 HydrophobicContact CG2-CD1 3.57Å; V431-L446 HydrophobicContact CG2-CD2 3.73Å; V431-L446 HydrophobicContact CG2-CG 4.33Å; L444-L446 HydrophobicContact CB-CD1 4.28Å; L444-L446 HydrophobicContact CB-CD2 3.96Å; L444-L446 HydrophobicContact CB-CG 3.93Å; L444-L446 HydrophobicContact CD1-CD2 4.45Å; L446-A454 CarbonylContact O-C 3.51Å; L446-A454 WeakPolarHBondContact O-CA 3.21Å; L446-L455 HydrophobicContact CB-CB 4.38Å; L446-L455 WeakPolarHBondContact CB-O 3.34Å; L446-L455 PolarHBondContact N-O 2.78Å; L446-L455 PolarHBondContact O-N 2.59Å; L446-M457 HydrophobicContact CD1-CB 4.49Å; L446-M457 HydrophobicContact CD1-CG 4.41Å; L446-M457 HydrophobicContact CD1-SD 4.04Å
447	P	84.7	Confident	78	Confident	91 Å²	91	62.9 Å²	62.9	59%	0.591	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.2	143.1	179	27.6	-34.2	0	0	0	111	C429	C429-P447 PolarHBondContact SG-O 2.92Å
448	L	84.5	Confident	78.7	Confident	13 Å²	13	61.4 Å²	61.4	7%	0.068	33%	0.329	C	S	.	.			trans	-84.4	131.7	176.4	-62.7	175.7	0	0	0	110.4	V362 V414 S450 G453	V362-L448 HydrophobicContact CG1-CD1 4.28Å; V362-L448 HydrophobicContact CG2-CD1 4.32Å; V414-L448 HydrophobicContact CG2-CD1 4.18Å; V414-L448 HydrophobicContact CG2-CD2 3.66Å; L448-S450 PolarHBondContact O-N 2.76Å; L448-G453 PolarHBondContact N-O 3.15Å; L448-G453 VanDerWaalsContact N-O 3.09Å
449	E	79.4	Confident	79.4	Confident	127 Å²	127	56.2 Å²	56.2	59%	0.593	30%	0.302	S	S	*	.	S	Bend	trans	-69.9	-16.8	-176.2	-66.4	172.9	135.7	0	0	113.8	T428	T428-E449 VanDerWaalsContact CB-OE2 3.22Å; T428-E449 WeakPolarHBondContact CB-OE2 3.41Å; T428-E449 WeakPolarHBondContact O-CG 3.42Å; T428-E449 PolarHBondContact O-N 2.86Å; T428-E449 PolarHBondContact OG1-OE2 3.06Å
450	S	67.8	Low	80	Confident	78 Å²	78	51 Å²	51	55%	0.545	28%	0.281	S	S	.	.	S	Bend	trans	-125.3	-6.4	-169.4	-33.1	0	0	0	0	115.3	L448	L448-S450 PolarHBondContact O-N 2.76Å
451	C	67.4	Low	80	Confident	32 Å²	32	45.7 Å²	45.7	22%	0.216	26%	0.256	C	S	.	.	S	Bend	trans	-136.3	155.2	176.8	-89.4	0	0	0	0	109.6	L426 G453	L426-C451 PolarHBondContact O-SG 3.46Å; C451-G453 PolarHBondContact O-N 2.84Å
452	Q	69.1	Low	79.8	Confident	155 Å²	155	42 Å²	42	72%	0.724	24%	0.238	S	C	*	.	S	Bend	trans	-65.4	131.1	157.5	-66.9	-176.9	-2.8	0	0	107.6	N361	N361-Q452 CarbonylContact O-C 3.55Å
453	G	77.6	Confident	78.9	Confident	20 Å²	20	43.5 Å²	43.5	21%	0.206	25%	0.249	C	C	.	.			trans	140.4	158.3	-177.1	0	0	0	0	0	113	K360 N361 L448 C451	K360-G453 WeakPolarHBondContact O-CA 3.08Å; N361-G453 WeakPolarHBondContact O-CA 3.46Å; L448-G453 PolarHBondContact N-O 3.15Å; L448-G453 VanDerWaalsContact N-O 3.09Å; C451-G453 PolarHBondContact O-N 2.84Å
454	A	84.9	Confident	77.6	Confident	16 Å²	16	41.5 Å²	41.5	13%	0.132	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	153.3	177.1	0	0	0	0	0	110.8	G359 K360 E445 L446	G359-A454 CarbonylContact C-O 3.47Å; G359-A454 WeakPolarHBondContact CA-O 3.43Å; K360-A454 PolarHBondContact N-O 3.45Å; K360-A454 PolarHBondContact O-N 3.37Å; E445-A454 HydrophobicContact CG-CB 4.03Å; L446-A454 CarbonylContact O-C 3.51Å; L446-A454 WeakPolarHBondContact O-CA 3.21Å
455	L	86.4	Confident	76.2	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	123.2	-179.1	-161.5	69.5	0	0	0	109.8	L356 V372 W394 I412 L446 M457	L356-L455 HydrophobicContact CD1-CD1 3.93Å; L356-L455 HydrophobicContact CD1-CD2 3.84Å; L356-L455 HydrophobicContact CD1-CG 3.9Å; V372-L455 HydrophobicContact CG1-CD2 4.26Å; V372-L455 HydrophobicContact CG2-CD1 4.4Å; W394-L455 HydrophobicContact CE3-CD1 4.33Å; W394-L455 HydrophobicContact CH2-CD1 4.31Å; W394-L455 HydrophobicContact CZ3-CD1 3.58Å; I412-L455 HydrophobicContact CG2-CD2 3.65Å; L446-L455 HydrophobicContact CB-CB 4.38Å; L446-L455 WeakPolarHBondContact CB-O 3.34Å; L446-L455 PolarHBondContact N-O 2.78Å; L446-L455 PolarHBondContact O-N 2.59Å; L455-M457 HydrophobicContact CD2-CG 4.2Å; L455-M457 HydrophobicContact CD2-SD 3.62Å; L455-M457 HydrophobicContact CG-CG 4.1Å; L455-M457 HydrophobicContact CG-SD 4.19Å
456	L	86.4	Confident	74.5	Confident	16 Å²	16	40.3 Å²	40.3	8%	0.084	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	122.5	178.2	-166.9	71.9	0	0	0	109.9	L357 E358 E445 Y830	L357-L456 HydrophobicContact CB-CB 4.46Å; L357-L456 HydrophobicContact CB-CD2 4.43Å; L357-L456 WeakPolarHBondContact CB-O 3.44Å; L357-L456 HydrophobicContact CD1-CD2 4.09Å; L357-L456 HydrophobicContact CD1-CG 4.06Å; L357-L456 PolarHBondContact N-O 3.26Å; E358-L456 HydrophobicContact CG-CB 3.88Å; E358-L456 HydrophobicContact CG-CD2 4.07Å; E358-L456 PolarHBondContact N-O 3.17Å; E358-L456 PolarHBondContact O-N 3.49Å; E445-L456 HydrophobicContact CB-CD1 4.14Å; L456-Y830 HydrophobicContact CD2-CE1 4.38Å
457	M	86.6	Confident	73.1	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	150.5	-175.3	-61.1	-170.7	69.6	0	0	111.9	I354 T355 L356 L374 I412 C443 L444 L446 L455	I354-M457 HydrophobicContact CG2-CE 3.27Å; T355-M457 CarbonylContact O-C 3.57Å; T355-M457 WeakPolarHBondContact O-CA 3.17Å; L356-M457 HydrophobicContact CB-CE 4.27Å; L356-M457 HydrophobicContact CD1-CE 4.04Å; L356-M457 HydrophobicContact CD1-CG 3.91Å; L356-M457 HydrophobicContact CD1-SD 4.01Å; L374-M457 HydrophobicContact CD1-CE 4.1Å; L374-M457 HydrophobicContact CD2-CE 3.77Å; L374-M457 HydrophobicContact CD2-SD 4.46Å; I412-M457 HydrophobicContact CD1-SD 3.75Å; C443-M457 WeakPolarHBondContact CA-O 3.39Å; L444-M457 PolarHBondContact N-O 2.75Å; L444-M457 PolarHBondContact O-N 2.84Å; L446-M457 HydrophobicContact CD1-CB 4.49Å; L446-M457 HydrophobicContact CD1-CG 4.41Å; L446-M457 HydrophobicContact CD1-SD 4.04Å; L455-M457 HydrophobicContact CD2-CG 4.2Å; L455-M457 HydrophobicContact CD2-SD 3.62Å; L455-M457 HydrophobicContact CG-CG 4.1Å; L455-M457 HydrophobicContact CG-SD 4.19Å
458	L	85.3	Confident	71.8	Confident	23 Å²	23	36.4 Å²	36.4	12%	0.12	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	129	172.8	-158.3	71	0	0	0	109.1	I354 T355 D441 N442 C443	I354-L458 CarbonylContact C-O 3.57Å; I354-L458 WeakPolarHBondContact CA-O 3.19Å; T355-L458 PolarHBondContact N-O 2.57Å; T355-L458 PolarHBondContact O-N 2.9Å; D441-L458 HydrophobicContact CB-CD1 4.01Å; D441-L458 HydrophobicContact CB-CD2 4.06Å; D441-L458 HydrophobicContact CB-CG 4.04Å; N442-L458 CarbonylContact O-C 3.58Å; N442-L458 WeakPolarHBondContact O-CA 3.41Å; C443-L458 HydrophobicContact CB-CD1 3.82Å
459	I	84.6	Confident	70.4	Confident	0 Å²	0	37 Å²	37	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	119	179.8	-57.1	-172.4	0	0	0	111.1	I352 S353 I354 L410 V431 L436 N442 L444	I352-I459 HydrophobicContact CG2-CG2 3.58Å; S353-I459 WeakPolarHBondContact O-CA 3.33Å; I354-I459 HydrophobicContact CD1-CD1 4.49Å; I354-I459 HydrophobicContact CG1-CG1 4.38Å; I354-I459 HydrophobicContact CG1-CG2 4.39Å; I354-I459 HydrophobicContact CG2-CG1 4.33Å; L410-I459 HydrophobicContact CD2-CD1 4.02Å; V431-I459 HydrophobicContact CG1-CD1 4.23Å; L436-I459 HydrophobicContact CD1-CB 3.98Å; L436-I459 HydrophobicContact CD1-CD1 4.31Å; L436-I459 HydrophobicContact CD1-CG2 3.62Å; N442-I459 VanDerWaalsContact CB-O 3.3Å; N442-I459 WeakPolarHBondContact CB-O 3.45Å; N442-I459 PolarHBondContact N-O 2.82Å; N442-I459 PolarHBondContact ND2-O 3Å; N442-I459 PolarHBondContact O-N 3.45Å; L444-I459 HydrophobicContact CD1-CD1 3.79Å; L444-I459 HydrophobicContact CD1-CG1 4.27Å
460	T	78.6	Confident	69.2	Low	16 Å²	16	32 Å²	32	10%	0.098	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	114.2	-176.5	-34.5	0	0	0	0	111.2	I352 S353 D441 T462	I352-T460 WeakPolarHBondContact CA-O 3.05Å; S353-T460 PolarHBondContact N-O 2.91Å; S353-T460 PolarHBondContact O-N 2.76Å; D441-T460 WeakPolarHBondContact OD1-CB 3.31Å; D441-T460 WeakPolarHBondContact OD1-CG2 3.35Å; D441-T460 PolarHBondContact OD1-OG1 2.69Å; T460-T462 PolarHBondContact O-N 2.93Å
461	L	73.3	Confident	68.4	Low	11 Å²	11	32.7 Å²	32.7	6%	0.058	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	109.6	176	-118.1	76	0	0	0	111.9	I352 I433 L438 K439 P463	I352-L461 HydrophobicContact CB-CD1 4.43Å; I352-L461 HydrophobicContact CG1-CD1 3.84Å; I352-L461 HydrophobicContact CG1-CG 4.39Å; I352-L461 HydrophobicContact CG2-CD1 3.99Å; I433-L461 HydrophobicContact CG2-CD1 3.34Å; I433-L461 HydrophobicContact CG2-CD2 4.44Å; I433-L461 HydrophobicContact CG2-CG 4.47Å; L438-L461 HydrophobicContact CD2-CB 4.21Å; L438-L461 HydrophobicContact CD2-CD2 3.87Å; L438-L461 HydrophobicContact CD2-CG 4.49Å; L438-L461 HydrophobicContact CG-CD2 4.17Å; K439-L461 WeakPolarHBondContact CA-O 3.47Å; K439-L461 PolarHBondContact N-O 3.39Å; L461-P463 WeakPolarHBondContact O-CD 3.38Å
462	T	67.9	Low	67.6	Low	30 Å²	30	34.1 Å²	34.1	18%	0.184	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	101	177	-51.1	0	0	0	0	110	G350 I351 T460 C464	G350-T462 CarbonylContact C-O 3.41Å; G350-T462 VanDerWaalsContact CA-O 3.23Å; G350-T462 WeakPolarHBondContact CA-O 3.38Å; I351-T462 PolarHBondContact N-O 2.91Å; I351-T462 WeakPolarHBondContact O-CA 3.3Å; I351-T462 WeakPolarHBondContact O-CB 3.45Å; I351-T462 PolarHBondContact O-N 2.83Å; T460-T462 PolarHBondContact O-N 2.93Å; T462-C464 PolarHBondContact O-N 3.42Å
463	P	61.3	Low	66	Low	55 Å²	55	32.4 Å²	32.4	36%	0.357	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	129.4	177.3	26.6	-34.2	0	0	0	110.6	L438 K439 L461	L438-P463 HydrophobicContact CD2-CB 4.17Å; L438-P463 HydrophobicContact CD2-CG 4.16Å; K439-P463 HydrophobicContact CD-CG 4.5Å; K439-P463 HydrophobicContact CG-CG 4.21Å; L461-P463 WeakPolarHBondContact O-CD 3.38Å
464	C	54.7	Low	64.6	Low	22 Å²	22	36 Å²	36	15%	0.149	22%	0.22	C	C	.	.			trans	-119	143.4	-175.1	-170.1	0	0	0	0	109.2	N349 T462	N349-C464 CarbonylContact C-O 3.43Å; N349-C464 PolarHBondContact O-N 3.11Å; N349-C464 VanDerWaalsContact O-N 3.11Å; T462-C464 PolarHBondContact O-N 3.42Å
465	T	51.3	Low	63.1	Low	115 Å²	115	35.8 Å²	35.8	71%	0.706	22%	0.217	S	C	*	.			trans	-124	3.5	-169	34	0	0	0	0	113.3	R489	T465-R489 PolarHBondContact OG1-NH1 2.84Å; T465-R489 VanDerWaalsContact OG1-NH1 3.17Å
466	A	49.8	Very low	61.6	Low	6 Å²	6	37 Å²	37	5%	0.05	23%	0.225	C	C	.	.			trans	-117.7	-3	-158.4	0	0	0	0	0	115.8	I504 T555 P557	A466-I504 HydrophobicContact CB-CD1 3.84Å; A466-I504 HydrophobicContact CB-CG1 4.28Å; A466-T555 CarbonylContact O-C 3.5Å; A466-T555 WeakPolarHBondContact O-CB 3.32Å; A466-T555 WeakPolarHBondContact O-CG2 3.29Å; A466-P557 HydrophobicContact CB-CB 4.08Å
467	V	54.1	Low	60.2	Low	6 Å²	6	36.4 Å²	36.4	4%	0.036	22%	0.222	C	C	.	.			trans	-92.8	112.9	166.4	174.1	0	0	0	0	110	L347 W348 L537 T555 P557	L347-V467 WeakPolarHBondContact CD2-O 3.33Å; W348-V467 HydrophobicContact CD2-CB 4.34Å; W348-V467 HydrophobicContact CD2-CG1 4.48Å; W348-V467 HydrophobicContact CD2-CG2 4.26Å; W348-V467 HydrophobicContact CE3-CG1 4.47Å; W348-V467 HydrophobicContact CH2-CG2 4.04Å; W348-V467 HydrophobicContact CZ2-CB 4.33Å; W348-V467 HydrophobicContact CZ2-CG2 3.43Å; W348-V467 VanDerWaalsContact CZ2-CG2 3.43Å; W348-V467 HydrophobicContact CZ3-CG1 4.48Å; V467-L537 HydrophobicContact CG1-CD1 4.07Å; V467-L537 HydrophobicContact CG1-CD2 4.06Å; V467-T555 WeakPolarHBondContact CA-O 3.21Å; V467-P557 HydrophobicContact CG2-CG 4.01Å
468	S	57.6	Low	58.8	Low	22 Å²	22	41 Å²	41	15%	0.154	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	145.7	171	62	0	0	0	0	110.5	T555	S468-T555 PolarHBondContact O-N 3.26Å; S468-T555 WeakPolarHBondContact OG-CB 3.48Å; S468-T555 PolarHBondContact OG-OG1 2.99Å
469	I	55.4	Low	57.8	Low	26 Å²	26	42.4 Å²	42.4	13%	0.133	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	118.2	162.6	-57.1	179.2	0	0	0	105.9	N345 L537 V553 F554	N345-I469 HydrophobicContact CB-CB 4.3Å; N345-I469 HydrophobicContact CB-CD1 3.85Å; I469-L537 HydrophobicContact CD1-CB 4.22Å; I469-L537 HydrophobicContact CD1-CD2 4.16Å; I469-L537 HydrophobicContact CG1-CD1 4.27Å; I469-L537 HydrophobicContact CG1-CD2 4.5Å; I469-V553 WeakPolarHBondContact CA-O 3.24Å; I469-F554 HydrophobicContact CD1-CD1 4.13Å; I469-F554 HydrophobicContact CD1-CE1 3.91Å; I469-F554 HydrophobicContact CG1-CD1 3.8Å; I469-F554 HydrophobicContact CG1-CE1 4.01Å; I469-F554 HydrophobicContact CG2-CD1 4.27Å; I469-F554 HydrophobicContact CG2-CE1 3.99Å
470	S	53.3	Low	56.9	Low	21 Å²	21	46.7 Å²	46.7	15%	0.147	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	155	-177.8	-71.6	0	0	0	0	111.4	V474 V553	S470-V474 WeakPolarHBondContact CB-O 3.38Å; S470-V474 PolarHBondContact OG-O 3.01Å; S470-V474 VanDerWaalsContact OG-O 3.06Å; S470-V553 PolarHBondContact N-O 2.85Å; S470-V553 PolarHBondContact O-N 3.45Å
471	D	50.5	Low	56.3	Low	93 Å²	93	49.3 Å²	49.3	50%	0.497	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	152.3	157.9	-72	-55.5	0	0	0	110.3	C473 V474 K552	D471-C473 PolarHBondContact O-N 2.92Å; D471-V474 PolarHBondContact O-N 2.86Å; D471-K552 IonicContact OD1-NZ 2.89Å; D471-K552 PolarHBondContact OD1-NZ 2.85Å
472	L	51	Low	56	Low	63 Å²	63	53.2 Å²	53.2	33%	0.33	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-10.7	178.7	-171	62.7	0	0	0	114.4	C475 K508 N551 V553	L472-C475 PolarHBondContact O-SG 2.85Å; L472-C475 VanDerWaalsContact O-SG 3.36Å; L472-K508 HydrophobicContact CD1-CD 3.88Å; L472-N551 HydrophobicContact CD2-CB 4.31Å; L472-V553 HydrophobicContact CB-CG2 4.42Å; L472-V553 HydrophobicContact CD1-CG2 3.74Å
473	C	36	Very low	56.4	Low	118 Å²	118	56 Å²	56	80%	0.797	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-0.8	174.1	-60.5	0	0	0	0	114.1	D471	D471-C473 PolarHBondContact O-N 2.92Å
474	V	48.7	Very low	56.9	Low	97 Å²	97	59.2 Å²	59.2	59%	0.588	33%	0.333	S	S	*	.			trans	-142.3	65.8	-174.7	-166.2	0	0	0	0	110.6	S470 D471 P476	S470-V474 WeakPolarHBondContact CB-O 3.38Å; S470-V474 PolarHBondContact OG-O 3.01Å; S470-V474 VanDerWaalsContact OG-O 3.06Å; D471-V474 PolarHBondContact O-N 2.86Å; V474-P476 WeakPolarHBondContact O-CD 3.44Å
475	C	53.5	Low	57.9	Low	10 Å²	10	64 Å²	64	7%	0.068	36%	0.357	C	S	.	.			trans	-100.6	114.4	-177.5	-55.1	0	0	0	0	111.7	L472 L477 E478	L472-C475 PolarHBondContact O-SG 2.85Å; L472-C475 VanDerWaalsContact O-SG 3.36Å; C475-L477 PolarHBondContact O-N 3.19Å; C475-E478 HydrophobicContact CB-CB 3.9Å; C475-E478 VanDerWaalsContact CB-CD 3.42Å; C475-E478 HydrophobicContact CB-CG 3.57Å; C475-E478 VanDerWaalsContact CB-OE2 3.24Å; C475-E478 WeakPolarHBondContact CB-OE2 3.24Å; C475-E478 PolarHBondContact O-N 2.88Å; C475-E478 VanDerWaalsContact SG-CD 3.53Å; C475-E478 PolarHBondContact SG-OE2 2.96Å
476	P	52.8	Low	59.1	Low	27 Å²	27	59.8 Å²	59.8	18%	0.175	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-6.5	-178.4	-28	36.8	0	0	0	117	V474 E482	V474-P476 WeakPolarHBondContact O-CD 3.44Å; P476-E482 WeakPolarHBondContact CA-OE2 3.44Å; P476-E482 WeakPolarHBondContact CB-OE2 3.4Å; P476-E482 WeakPolarHBondContact O-CB 3.14Å
477	L	57.3	Low	60.5	Low	4 Å²	4	62.1 Å²	62.1	2%	0.021	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-5.2	177.1	-84.3	76.3	0	0	0	112.8	C475 R483 I486 Q506 D619 I621	C475-L477 PolarHBondContact O-N 3.19Å; L477-R483 PolarHBondContact O-NH1 3.37Å; L477-I486 HydrophobicContact CD1-CD1 3.98Å; L477-Q506 HydrophobicContact CD1-CB 4.44Å; L477-Q506 HydrophobicContact CD2-CB 4.27Å; L477-D619 HydrophobicContact CD2-CB 4.11Å; L477-I621 HydrophobicContact CD2-CD1 3.72Å; L477-I621 HydrophobicContact CD2-CG1 4.17Å; L477-I621 HydrophobicContact CG-CD1 4.24Å
478	E	58.3	Low	61.7	Low	97 Å²	97	67.6 Å²	67.6	45%	0.453	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-28.3	172.6	-67.1	177.7	167	0	0	112	C475 P480 K508	C475-E478 HydrophobicContact CB-CB 3.9Å; C475-E478 VanDerWaalsContact CB-CD 3.42Å; C475-E478 HydrophobicContact CB-CG 3.57Å; C475-E478 VanDerWaalsContact CB-OE2 3.24Å; C475-E478 WeakPolarHBondContact CB-OE2 3.24Å; C475-E478 PolarHBondContact O-N 2.88Å; C475-E478 VanDerWaalsContact SG-CD 3.53Å; C475-E478 PolarHBondContact SG-OE2 2.96Å; E478-P480 WeakPolarHBondContact O-CD 3.43Å; E478-K508 IonicContact OE1-NZ 2.72Å; E478-K508 PolarHBondContact OE1-NZ 3.19Å
479	D	63.4	Low	62.7	Low	52 Å²	52	71.2 Å²	71.2	28%	0.278	38%	0.381	S	S	.	.	S	Bend	trans	-70.8	118.2	166.1	-171.2	-50.8	0	0	0	109	S481 E482 R483	D479-S481 PolarHBondContact O-N 3.27Å; D479-S481 WeakPolarHBondContact OD1-CA 3.29Å; D479-S481 VanDerWaalsContact OD1-CB 3.3Å; D479-S481 WeakPolarHBondContact OD1-CB 3.26Å; D479-S481 PolarHBondContact OD1-N 2.81Å; D479-S481 PolarHBondContact OD1-OG 3.07Å; D479-E482 HydrophobicContact CB-CB 4.29Å; D479-E482 HydrophobicContact CB-CG 4.33Å; D479-E482 PolarHBondContact O-N 2.8Å; D479-E482 PolarHBondContact OD1-N 2.87Å; D479-R483 WeakPolarHBondContact O-CB 3.15Å; D479-R483 PolarHBondContact O-N 2.66Å
480	P	65.3	Low	63.9	Low	89 Å²	89	70.3 Å²	70.3	58%	0.578	38%	0.376	S	S	*	.	H	α-helix	trans	-65.8	-24.5	-176.5	27.2	-34.8	0	0	0	112.6	E478 Q484	E478-P480 WeakPolarHBondContact O-CD 3.43Å; P480-Q484 WeakPolarHBondContact O-CB 3.45Å; P480-Q484 WeakPolarHBondContact O-CG 3.47Å; P480-Q484 PolarHBondContact O-N 2.89Å
481	S	66.5	Low	65.3	Low	71 Å²	71	71 Å²	71	50%	0.497	38%	0.383	S	S	.	.	H	α-helix	trans	-76.7	-41.8	178.4	73.9	0	0	0	0	112	D479 Q484 L485	D479-S481 PolarHBondContact O-N 3.27Å; D479-S481 WeakPolarHBondContact OD1-CA 3.29Å; D479-S481 VanDerWaalsContact OD1-CB 3.3Å; D479-S481 WeakPolarHBondContact OD1-CB 3.26Å; D479-S481 PolarHBondContact OD1-N 2.81Å; D479-S481 PolarHBondContact OD1-OG 3.07Å; S481-Q484 PolarHBondContact O-N 3.45Å; S481-L485 PolarHBondContact O-N 2.93Å
482	E	67.6	Low	66.8	Low	94 Å²	94	72.1 Å²	72.1	44%	0.439	39%	0.388	S	S	.	.	H	α-helix	trans	-67.8	-41.1	172.6	-64.8	-160.9	163.6	0	0	110.8	P476 D479 Q484 L485 I486	P476-E482 WeakPolarHBondContact CA-OE2 3.44Å; P476-E482 WeakPolarHBondContact CB-OE2 3.4Å; P476-E482 WeakPolarHBondContact O-CB 3.14Å; D479-E482 HydrophobicContact CB-CB 4.29Å; D479-E482 HydrophobicContact CB-CG 4.33Å; D479-E482 PolarHBondContact O-N 2.8Å; D479-E482 PolarHBondContact OD1-N 2.87Å; E482-Q484 VanDerWaalsContact C-N 3.33Å; E482-Q484 PolarHBondContact O-N 2.79Å; E482-L485 PolarHBondContact O-N 2.9Å; E482-I486 WeakPolarHBondContact O-CB 3.5Å; E482-I486 VanDerWaalsContact O-CG1 3.25Å; E482-I486 WeakPolarHBondContact O-CG1 3.37Å; E482-I486 PolarHBondContact O-N 3.11Å
483	R	75.3	Confident	68.1	Low	88 Å²	88	77.9 Å²	77.9	33%	0.332	41%	0.414	S	S	.	.	H	α-helix	trans	-58.5	-41.4	173.7	-163.9	-172.8	-171.1	90.2	11.5	112.5	L477 D479 S487 D619 I621	L477-R483 PolarHBondContact O-NH1 3.37Å; D479-R483 WeakPolarHBondContact O-CB 3.15Å; D479-R483 PolarHBondContact O-N 2.66Å; R483-S487 WeakPolarHBondContact O-CB 3.4Å; R483-S487 PolarHBondContact O-N 2.7Å; R483-S487 PolarHBondContact O-OG 3.03Å; R483-D619 IonicContact CZ-OD1 3.34Å; R483-D619 IonicContact CZ-OD2 3.16Å; R483-D619 VanDerWaalsContact CZ-OD2 3.24Å; R483-D619 IonicContact NH1-OD1 1.95Å; R483-D619 IonicContact NH1-OD2 3.45Å; R483-D619 PolarHBondContact NH1-OD2 2.69Å; R483-D619 VanDerWaalsContact NH2-CG 3.28Å; R483-D619 IonicContact NH2-OD1 3.79Å; R483-D619 PolarHBondContact NH2-OD1 2.97Å; R483-D619 IonicContact NH2-OD2 3.69Å; R483-D619 PolarHBondContact NH2-OD2 3.02Å; R483-I621 HydrophobicContact CG-CD1 4.28Å
484	Q	72.7	Confident	70.2	Confident	123 Å²	123	74.1 Å²	74.1	58%	0.575	39%	0.386	S	S	*	.	H	α-helix	trans	-67.4	-41.2	175	-78.8	175.6	14.8	0	0	112.6	P480 S481 E482 I486 S487 Q488	P480-Q484 WeakPolarHBondContact O-CB 3.45Å; P480-Q484 WeakPolarHBondContact O-CG 3.47Å; P480-Q484 PolarHBondContact O-N 2.89Å; S481-Q484 PolarHBondContact O-N 3.45Å; E482-Q484 VanDerWaalsContact C-N 3.33Å; E482-Q484 PolarHBondContact O-N 2.79Å; Q484-I486 VanDerWaalsContact C-N 3.34Å; Q484-I486 PolarHBondContact O-N 2.85Å; Q484-S487 PolarHBondContact O-N 2.95Å; Q484-S487 PolarHBondContact O-OG 3.17Å; Q484-S487 VanDerWaalsContact O-OG 3.06Å; Q484-Q488 WeakPolarHBondContact O-CB 3.23Å; Q484-Q488 WeakPolarHBondContact O-CG 3.31Å; Q484-Q488 PolarHBondContact O-N 3.45Å
485	L	76.6	Confident	71.6	Confident	122 Å²	122	69.9 Å²	69.9	64%	0.639	36%	0.36	S	S	*	.	H	α-helix	trans	-64.2	-40.6	176.5	-175.7	65.4	0	0	0	111.6	S481 E482 R489	S481-L485 PolarHBondContact O-N 2.93Å; E482-L485 PolarHBondContact O-N 2.9Å; L485-R489 PolarHBondContact O-N 3.14Å
486	I	74.9	Confident	72.7	Confident	26 Å²	26	76.5 Å²	76.5	13%	0.133	39%	0.394	C	S	.	.	H	α-helix	trans	-65.4	-45.5	175.5	-70.7	167.5	0	0	0	110.8	L477 E482 Q484 Q488 R489 Y490 I504 I621	L477-I486 HydrophobicContact CD1-CD1 3.98Å; E482-I486 WeakPolarHBondContact O-CB 3.5Å; E482-I486 VanDerWaalsContact O-CG1 3.25Å; E482-I486 WeakPolarHBondContact O-CG1 3.37Å; E482-I486 PolarHBondContact O-N 3.11Å; Q484-I486 VanDerWaalsContact C-N 3.34Å; Q484-I486 PolarHBondContact O-N 2.85Å; I486-Q488 VanDerWaalsContact C-N 3.35Å; I486-Q488 PolarHBondContact O-N 2.89Å; I486-R489 WeakPolarHBondContact O-CB 3.34Å; I486-R489 PolarHBondContact O-N 2.95Å; I486-Y490 HydrophobicContact CG2-CD2 4Å; I486-Y490 HydrophobicContact CG2-CE2 4.08Å; I486-Y490 VanDerWaalsContact O-CD2 3.27Å; I486-Y490 WeakPolarHBondContact O-CD2 3.3Å; I486-Y490 PolarHBondContact O-N 2.84Å; I486-Y490 VanDerWaalsContact O-N 3.12Å; I486-I504 HydrophobicContact CG2-CG2 3.68Å; I486-I621 HydrophobicContact CG2-CB 4.41Å; I486-I621 HydrophobicContact CG2-CD1 3.97Å; I486-I621 HydrophobicContact CG2-CG2 4.19Å
487	S	79.3	Confident	73.6	Confident	55 Å²	55	81.7 Å²	81.7	39%	0.385	41%	0.414	S	S	.	.	H	α-helix	trans	-66	-36.1	178.1	73.8	0	0	0	0	112.3	R483 Q484 Y490 A491	R483-S487 WeakPolarHBondContact O-CB 3.4Å; R483-S487 PolarHBondContact O-N 2.7Å; R483-S487 PolarHBondContact O-OG 3.03Å; Q484-S487 PolarHBondContact O-N 2.95Å; Q484-S487 PolarHBondContact O-OG 3.17Å; Q484-S487 VanDerWaalsContact O-OG 3.06Å; S487-Y490 CarbonylContact O-C 3.59Å; S487-Y490 PolarHBondContact O-N 2.75Å; S487-A491 WeakPolarHBondContact O-CA 3.27Å; S487-A491 WeakPolarHBondContact O-CB 3.15Å; S487-A491 PolarHBondContact O-N 3.23Å
488	Q	80.5	Confident	74.2	Confident	122 Å²	122	84.5 Å²	84.5	57%	0.57	43%	0.429	S	S	*	.	H	α-helix	trans	-65.8	-38.4	171.6	-73.1	-178.6	13.6	0	0	112.9	Q484 I486 Y490 A491 N494	Q484-Q488 WeakPolarHBondContact O-CB 3.23Å; Q484-Q488 WeakPolarHBondContact O-CG 3.31Å; Q484-Q488 PolarHBondContact O-N 3.45Å; I486-Q488 VanDerWaalsContact C-N 3.35Å; I486-Q488 PolarHBondContact O-N 2.89Å; Q488-Y490 VanDerWaalsContact C-N 3.32Å; Q488-Y490 PolarHBondContact O-N 3.13Å; Q488-A491 WeakPolarHBondContact O-CB 3.21Å; Q488-A491 PolarHBondContact O-N 2.84Å; Q488-N494 PolarHBondContact O-ND2 3.4Å
489	R	78.6	Confident	75	Confident	97 Å²	97	82.7 Å²	82.7	37%	0.366	42%	0.424	S	S	.	.	H	α-helix	trans	-58.9	-42.4	174	174.1	179.9	175.2	168.7	-6.7	111.9	T465 L485 I486 N494 D501	T465-R489 PolarHBondContact OG1-NH1 2.84Å; T465-R489 VanDerWaalsContact OG1-NH1 3.17Å; L485-R489 PolarHBondContact O-N 3.14Å; I486-R489 WeakPolarHBondContact O-CB 3.34Å; I486-R489 PolarHBondContact O-N 2.95Å; R489-N494 WeakPolarHBondContact O-CB 3.45Å; R489-D501 IonicContact CZ-OD2 2.67Å; R489-D501 VanDerWaalsContact CZ-OD2 3.29Å; R489-D501 IonicContact NE-OD2 2.6Å; R489-D501 PolarHBondContact NE-OD2 2.86Å; R489-D501 VanDerWaalsContact NH2-CG 3.34Å; R489-D501 IonicContact NH2-OD1 2.96Å; R489-D501 PolarHBondContact NH2-OD1 2.85Å; R489-D501 IonicContact NH2-OD2 2.74Å; R489-D501 PolarHBondContact NH2-OD2 3.27Å
490	Y	81	Confident	75.3	Confident	8 Å²	8	84.4 Å²	84.4	3%	0.031	43%	0.43	C	S	.	.	H	α-helix	trans	-93.6	1.2	-179.9	-62	-65.5	0	0	0	114.2	I486 S487 Q488 D501 G503 I504 I621 N623	I486-Y490 HydrophobicContact CG2-CD2 4Å; I486-Y490 HydrophobicContact CG2-CE2 4.08Å; I486-Y490 VanDerWaalsContact O-CD2 3.27Å; I486-Y490 WeakPolarHBondContact O-CD2 3.3Å; I486-Y490 PolarHBondContact O-N 2.84Å; I486-Y490 VanDerWaalsContact O-N 3.12Å; S487-Y490 CarbonylContact O-C 3.59Å; S487-Y490 PolarHBondContact O-N 2.75Å; Q488-Y490 VanDerWaalsContact C-N 3.32Å; Q488-Y490 PolarHBondContact O-N 3.13Å; Y490-D501 WeakPolarHBondContact CE1-OD1 3.05Å; Y490-D501 PolarHBondContact OH-OD1 2.81Å; Y490-D501 PolarHBondContact OH-OD2 3Å; Y490-G503 VanDerWaalsContact CE1-CA 3.49Å; Y490-I504 HydrophobicContact CD2-CG2 4.44Å; Y490-I504 HydrophobicContact CE2-CB 4.12Å; Y490-I504 HydrophobicContact CE2-CG2 3.89Å; Y490-I621 HydrophobicContact CD2-CG2 4.12Å; Y490-N623 VanDerWaalsContact O-CB 3.24Å; Y490-N623 WeakPolarHBondContact O-CB 3.29Å; Y490-N623 PolarHBondContact O-ND2 3.46Å
491	A	81.8	Confident	76	Confident	36 Å²	36	81.2 Å²	81.2	30%	0.298	41%	0.407	S	S	.	.	S	Bend	trans	-59.8	154.1	178	0	0	0	0	0	113.1	S487 Q488 Q493 N494 N623	S487-A491 WeakPolarHBondContact O-CA 3.27Å; S487-A491 WeakPolarHBondContact O-CB 3.15Å; S487-A491 PolarHBondContact O-N 3.23Å; Q488-A491 WeakPolarHBondContact O-CB 3.21Å; Q488-A491 PolarHBondContact O-N 2.84Å; A491-Q493 PolarHBondContact O-N 3.1Å; A491-Q493 VanDerWaalsContact O-N 3.08Å; A491-N494 PolarHBondContact O-N 2.62Å; A491-N623 PolarHBondContact O-ND2 2.77Å
492	L	80.9	Confident	76.9	Confident	115 Å²	115	77.8 Å²	77.8	60%	0.602	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-55.4	-31.4	-176.4	-64.9	175.1	0	0	0	113.6	N494 S495 P624 V625	L492-N494 VanDerWaalsContact C-N 3.25Å; L492-N494 PolarHBondContact O-N 2.89Å; L492-S495 WeakPolarHBondContact CA-OG 3.19Å; L492-S495 WeakPolarHBondContact O-CB 3.35Å; L492-S495 PolarHBondContact O-N 2.94Å; L492-S495 PolarHBondContact O-OG 3.13Å; L492-P624 HydrophobicContact CD2-CG 3.98Å; L492-V625 HydrophobicContact CD2-CG2 3.8Å
493	Q	80.1	Confident	77.7	Confident	184 Å²	184	73.3 Å²	73.3	86%	0.86	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-63.7	-26.7	176.3	-63.6	176.7	-4.8	0	0	113.5	A491	A491-Q493 PolarHBondContact O-N 3.1Å; A491-Q493 VanDerWaalsContact O-N 3.08Å
494	N	78.5	Confident	78.2	Confident	39 Å²	39	69.7 Å²	69.7	21%	0.209	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-98.3	6.6	-179	-75.5	-48.3	0	0	0	113.6	Q488 R489 A491 L492 L496 K497	Q488-N494 PolarHBondContact O-ND2 3.4Å; R489-N494 WeakPolarHBondContact O-CB 3.45Å; A491-N494 PolarHBondContact O-N 2.62Å; L492-N494 VanDerWaalsContact C-N 3.25Å; L492-N494 PolarHBondContact O-N 2.89Å; N494-L496 PolarHBondContact O-N 2.86Å; N494-K497 PolarHBondContact O-N 2.81Å; N494-K497 WeakPolarHBondContact OD1-CD 3.31Å; N494-K497 WeakPolarHBondContact OD1-CE 3.32Å; N494-K497 PolarHBondContact OD1-NZ 2.84Å
495	S	79.7	Confident	78.9	Confident	8 Å²	8	63.9 Å²	63.9	6%	0.056	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-30.7	-172.8	-54.3	0	0	0	0	115.1	L492 N623 K626	L492-S495 WeakPolarHBondContact CA-OG 3.19Å; L492-S495 WeakPolarHBondContact O-CB 3.35Å; L492-S495 PolarHBondContact O-N 2.94Å; L492-S495 PolarHBondContact O-OG 3.13Å; S495-N623 PolarHBondContact OG-ND2 2.65Å; S495-N623 PolarHBondContact OG-OD1 2.91Å; S495-K626 WeakPolarHBondContact O-CG 3.46Å
496	L	74.9	Confident	79.4	Confident	150 Å²	150	58.1 Å²	58.1	79%	0.785	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-7.3	-179.6	-59.6	179.1	0	0	0	114.1	N494	N494-L496 PolarHBondContact O-N 2.86Å
497	K	72.8	Confident	80.1	Confident	136 Å²	136	56.9 Å²	56.9	59%	0.591	29%	0.286	S	S	*	.	S	Bend	trans	-95.5	120.1	180	-61.9	174.1	-171.2	163.2	0	109.9	N494 K626	N494-K497 PolarHBondContact O-N 2.81Å; N494-K497 WeakPolarHBondContact OD1-CD 3.31Å; N494-K497 WeakPolarHBondContact OD1-CE 3.32Å; N494-K497 PolarHBondContact OD1-NZ 2.84Å; K497-K626 WeakPolarHBondContact O-CE 3.26Å; K497-K626 PolarHBondContact O-NZ 3.31Å
498	D	70	Confident	80.5	Confident	63 Å²	63	54.9 Å²	54.9	34%	0.337	27%	0.27	S	S	.	.			trans	56.8	75.7	177.4	-148.1	-31.9	0	0	0	113	K439 K500 D501 K626	K439-D498 IonicContact NZ-OD2 2.78Å; K439-D498 PolarHBondContact NZ-OD2 2.89Å; D498-K500 PolarHBondContact O-N 2.61Å; D498-D501 HydrophobicContact CB-CB 4.37Å; D498-D501 PolarHBondContact O-N 2.81Å; D498-D501 VanDerWaalsContact O-N 3.17Å; D498-K626 PolarHBondContact O-NZ 2.75Å
499	V	74.3	Confident	81	Confident	58 Å²	58	49 Å²	49	35%	0.352	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-15.2	-171.8	-170.1	0	0	0	0	113	I629	V499-I629 HydrophobicContact CG1-CB 4.28Å; V499-I629 HydrophobicContact CG1-CG2 3.81Å
500	K	70.9	Confident	81.5	Confident	89 Å²	89	46 Å²	46	39%	0.387	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-27.8	172.6	-69.8	-176	175.3	-179.8	0	112.6	S353 D498 V502	S353-K500 PolarHBondContact OG-NZ 2.63Å; D498-K500 PolarHBondContact O-N 2.61Å; K500-V502 PolarHBondContact O-N 3.22Å
501	D	79.8	Confident	82	Confident	21 Å²	21	49.3 Å²	49.3	11%	0.112	25%	0.249	C	C	.	.			trans	-90.4	84.9	-177.3	178.3	37.3	0	0	0	110.7	R489 Y490 D498 K626	R489-D501 IonicContact CZ-OD2 2.67Å; R489-D501 VanDerWaalsContact CZ-OD2 3.29Å; R489-D501 IonicContact NE-OD2 2.6Å; R489-D501 PolarHBondContact NE-OD2 2.86Å; R489-D501 VanDerWaalsContact NH2-CG 3.34Å; R489-D501 IonicContact NH2-OD1 2.96Å; R489-D501 PolarHBondContact NH2-OD1 2.85Å; R489-D501 IonicContact NH2-OD2 2.74Å; R489-D501 PolarHBondContact NH2-OD2 3.27Å; Y490-D501 WeakPolarHBondContact CE1-OD1 3.05Å; Y490-D501 PolarHBondContact OH-OD1 2.81Å; Y490-D501 PolarHBondContact OH-OD2 3Å; D498-D501 HydrophobicContact CB-CB 4.37Å; D498-D501 PolarHBondContact O-N 2.81Å; D498-D501 VanDerWaalsContact O-N 3.17Å; D501-K626 WeakPolarHBondContact O-CD 3.46Å; D501-K626 PolarHBondContact O-NZ 3.34Å
502	V	84.7	Confident	82.5	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.235	C	C	.	.			trans	-80.2	-34.6	-171.4	-178.8	0	0	0	0	112.6	K500 I558 N623 K626 A627 R630	K500-V502 PolarHBondContact O-N 3.22Å; V502-I558 HydrophobicContact CB-CG2 4.49Å; V502-I558 WeakPolarHBondContact CB-O 3.39Å; V502-I558 PolarHBondContact N-O 3.49Å; V502-I558 VanDerWaalsContact N-O 3.15Å; V502-N623 PolarHBondContact O-N 3.32Å; V502-K626 HydrophobicContact CG1-CB 4.34Å; V502-K626 HydrophobicContact CG2-CB 4.45Å; V502-A627 HydrophobicContact CG1-CB 3.74Å; V502-R630 HydrophobicContact CG2-CB 4.14Å; V502-R630 HydrophobicContact CG2-CG 4.16Å
503	G	84.6	Confident	83	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.9	-168.5	-176.3	0	0	0	0	0	113.6	Y490 I558 I621	Y490-G503 VanDerWaalsContact CE1-CA 3.49Å; G503-I558 PolarHBondContact N-O 3.08Å; G503-I558 PolarHBondContact O-N 2.84Å; G503-I621 CarbonylContact C-O 3.58Å; G503-I621 WeakPolarHBondContact CA-O 3.47Å
504	I	85	Confident	83.4	Confident	12 Å²	12	38.8 Å²	38.8	6%	0.062	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	138.8	177.5	-165	169.4	0	0	0	109.9	A466 I486 Y490 T555 F556 I621	A466-I504 HydrophobicContact CB-CD1 3.84Å; A466-I504 HydrophobicContact CB-CG1 4.28Å; I486-I504 HydrophobicContact CG2-CG2 3.68Å; Y490-I504 HydrophobicContact CD2-CG2 4.44Å; Y490-I504 HydrophobicContact CE2-CB 4.12Å; Y490-I504 HydrophobicContact CE2-CG2 3.89Å; I504-T555 HydrophobicContact CD1-CG2 3.52Å; I504-T555 HydrophobicContact CG1-CG2 3.58Å; I504-F556 WeakPolarHBondContact CA-O 3.29Å; I504-I621 HydrophobicContact CG2-CB 4.05Å; I504-I621 PolarHBondContact N-O 2.97Å; I504-I621 PolarHBondContact O-N 3.4Å
505	L	87.9	Confident	83.9	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	131	175.1	174.1	71.5	0	0	0	108.7	V507 L532 T555 F556 I558 L565 L588 I591 L620	L505-V507 HydrophobicContact CD1-CG2 4.46Å; L505-V507 HydrophobicContact CD2-CG2 3.68Å; L505-V507 HydrophobicContact CG-CG2 3.82Å; L505-L532 HydrophobicContact CD2-CD2 4Å; L505-T555 CarbonylContact O-C 3.52Å; L505-T555 WeakPolarHBondContact O-CA 3.36Å; L505-F556 HydrophobicContact CB-CB 4.42Å; L505-F556 HydrophobicContact CD2-CD2 4.46Å; L505-F556 PolarHBondContact N-O 2.9Å; L505-F556 PolarHBondContact O-N 2.85Å; L505-I558 HydrophobicContact CB-CD1 4.06Å; L505-I558 HydrophobicContact CB-CG1 4.1Å; L505-L565 HydrophobicContact CD2-CD1 4.42Å; L505-L565 HydrophobicContact CD2-CD2 4.39Å; L505-L588 HydrophobicContact CD1-CD2 4.35Å; L505-L588 HydrophobicContact CD2-CD2 3.72Å; L505-I591 HydrophobicContact CD1-CD1 3.57Å; L505-L620 HydrophobicContact CD1-CB 4.34Å
506	Q	87	Confident	84.2	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	135.5	164.1	-176.2	162.1	102	0	0	110.3	L477 V553 F554 L618 D619	L477-Q506 HydrophobicContact CD1-CB 4.44Å; L477-Q506 HydrophobicContact CD2-CB 4.27Å; Q506-V553 HydrophobicContact CG-CG1 3.54Å; Q506-F554 WeakPolarHBondContact CA-O 2.99Å; Q506-L618 WeakPolarHBondContact O-CA 3.27Å; Q506-D619 HydrophobicContact CB-CB 4.4Å; Q506-D619 PolarHBondContact N-O 2.87Å; Q506-D619 PolarHBondContact O-N 2.85Å
507	V	89.5	Confident	84.6	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	112.7	178.6	-176	0	0	0	0	108.7	L505 V509 L530 V553 F554 F556 L565 L618	L505-V507 HydrophobicContact CD1-CG2 4.46Å; L505-V507 HydrophobicContact CD2-CG2 3.68Å; L505-V507 HydrophobicContact CG-CG2 3.82Å; V507-V509 HydrophobicContact CG1-CG2 4.17Å; V507-L530 HydrophobicContact CB-CD2 4.11Å; V507-L530 HydrophobicContact CG1-CD2 3.64Å; V507-V553 WeakPolarHBondContact O-CA 3.24Å; V507-F554 HydrophobicContact CB-CB 4.44Å; V507-F554 PolarHBondContact N-O 3.14Å; V507-F554 PolarHBondContact O-N 2.68Å; V507-F556 HydrophobicContact CG2-CD2 4.19Å; V507-F556 HydrophobicContact CG2-CE2 4.15Å; V507-L565 HydrophobicContact CG1-CD2 4.18Å; V507-L565 HydrophobicContact CG2-CD1 4.36Å; V507-L565 HydrophobicContact CG2-CD2 3.71Å; V507-L618 HydrophobicContact CB-CD2 4.04Å; V507-L618 HydrophobicContact CG1-CD2 3.72Å; V507-L618 HydrophobicContact CG2-CD2 3.75Å
508	K	88.6	Confident	84.7	Confident	13 Å²	13	30 Å²	30	6%	0.057	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	110.3	171.1	-38.1	-172.3	-171.1	161.9	0	108.5	L472 E478 L510 K552 V553 L616 E617	L472-K508 HydrophobicContact CD1-CD 3.88Å; E478-K508 IonicContact OE1-NZ 2.72Å; E478-K508 PolarHBondContact OE1-NZ 3.19Å; K508-L510 HydrophobicContact CB-CD2 4.21Å; K508-L510 PolarHBondContact O-N 2.93Å; K508-K552 CarbonylContact C-O 3.58Å; K508-K552 WeakPolarHBondContact CA-O 3.44Å; K508-V553 HydrophobicContact CB-CG2 4.01Å; K508-V553 HydrophobicContact CD-CG2 4.17Å; K508-V553 HydrophobicContact CG-CG1 4.21Å; K508-V553 HydrophobicContact CG-CG2 3.82Å; K508-L616 WeakPolarHBondContact O-CA 3.46Å; K508-E617 HydrophobicContact CB-CB 4.02Å; K508-E617 HydrophobicContact CD-CB 4.35Å; K508-E617 WeakPolarHBondContact CE-OE1 3.5Å; K508-E617 HydrophobicContact CG-CB 4.22Å; K508-E617 PolarHBondContact N-O 3.49Å; K508-E617 IonicContact NZ-OE1 3.16Å; K508-E617 PolarHBondContact NZ-OE1 2.9Å; K508-E617 IonicContact NZ-OE2 2.62Å; K508-E617 PolarHBondContact O-N 3.38Å
509	V	90.4	Very high	85	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	100.3	175.6	-176.5	0	0	0	0	107.5	V507 C528 L530 T539 W550 N551 K552 F554 L616	V507-V509 HydrophobicContact CG1-CG2 4.17Å; V509-C528 HydrophobicContact CG1-CB 4.48Å; V509-L530 HydrophobicContact CG2-CD1 3.99Å; V509-L530 HydrophobicContact CG2-CD2 3.8Å; V509-L530 HydrophobicContact CG2-CG 4.42Å; V509-T539 HydrophobicContact CB-CG2 4.43Å; V509-T539 HydrophobicContact CG1-CG2 4.13Å; V509-W550 HydrophobicContact CG1-CB 4.45Å; V509-W550 HydrophobicContact CG1-CD2 4.37Å; V509-W550 HydrophobicContact CG1-CE3 3.75Å; V509-W550 HydrophobicContact CG1-CZ3 4.38Å; V509-N551 VanDerWaalsContact O-CA 3.28Å; V509-N551 WeakPolarHBondContact O-CA 3.32Å; V509-N551 PolarHBondContact O-N 2.85Å; V509-K552 PolarHBondContact N-O 3Å; V509-K552 PolarHBondContact O-N 2.85Å; V509-F554 HydrophobicContact CB-CE2 4.19Å; V509-F554 HydrophobicContact CG2-CD2 3.78Å; V509-F554 HydrophobicContact CG2-CE2 3.64Å; V509-L616 HydrophobicContact CB-CD2 4.23Å; V509-L616 HydrophobicContact CG1-CD2 4.14Å; V509-L616 HydrophobicContact CG2-CD2 3.97Å
510	L	89	Confident	84.6	Confident	32 Å²	32	36.8 Å²	36.8	17%	0.168	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	-68.5	-175.8	-54.8	178.1	0	0	0	109.5	K508 E549 W550 N551 P596 Y615	K508-L510 HydrophobicContact CB-CD2 4.21Å; K508-L510 PolarHBondContact O-N 2.93Å; L510-E549 CarbonylContact O-C 3.54Å; L510-W550 PolarHBondContact O-N 3.32Å; L510-N551 PolarHBondContact O-N 2.87Å; L510-P596 HydrophobicContact CD1-CB 3.94Å; L510-Y615 WeakPolarHBondContact CB-O 3.4Å; L510-Y615 PolarHBondContact N-O 3.25Å; L510-Y615 VanDerWaalsContact N-O 3.15Å
511	K	90.9	Very high	84.5	Confident	79 Å²	79	35.7 Å²	35.7	34%	0.343	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	166.9	-175.1	63.3	-171.6	-175.9	-172.4	0	114.3	P548 E549 Y615	K511-P548 CarbonylContact C-O 3.57Å; K511-P548 WeakPolarHBondContact CA-O 2.95Å; K511-P548 WeakPolarHBondContact CB-O 3.15Å; K511-E549 HydrophobicContact CB-CB 4.09Å; K511-E549 HydrophobicContact CB-CG 3.81Å; K511-E549 HydrophobicContact CD-CG 3.8Å; K511-E549 WeakPolarHBondContact CD-OE1 3.32Å; K511-E549 WeakPolarHBondContact CE-OE1 3.14Å; K511-E549 IonicContact NZ-OE1 2.77Å; K511-E549 PolarHBondContact NZ-OE1 2.78Å; K511-Y615 HydrophobicContact CG-CD2 3.75Å; K511-Y615 HydrophobicContact CG-CG 4.09Å; K511-Y615 PolarHBondContact O-N 2.96Å
512	A	93.1	Very high	84.2	Confident	1 Å²	1	37 Å²	37	1%	0.008	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	163.5	162	0	0	0	0	0	111.1	L515 N547 P548 W550 L613	A512-L515 HydrophobicContact CB-CD1 4.14Å; A512-L515 HydrophobicContact CB-CD2 4.05Å; A512-L515 HydrophobicContact CB-CG 4.17Å; A512-N547 CarbonylContact O-C 3.58Å; A512-N547 VanDerWaalsContact O-CA 3.29Å; A512-N547 WeakPolarHBondContact O-CA 3.33Å; A512-P548 HydrophobicContact CB-CG 3.92Å; A512-P548 PolarHBondContact N-O 3.12Å; A512-W550 HydrophobicContact CB-CH2 3.74Å; A512-W550 HydrophobicContact CB-CZ3 3.66Å; A512-L613 CarbonylContact C-O 3.54Å; A512-L613 WeakPolarHBondContact CA-O 3.44Å; A512-L613 VanDerWaalsContact CB-O 3.26Å; A512-L613 WeakPolarHBondContact CB-O 3.34Å
513	A	91	Very high	84.1	Confident	17 Å²	17	41.5 Å²	41.5	14%	0.14	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	154.7	176.5	0	0	0	0	0	111.9	L515 N547 G612 L613 Y615	A513-L515 PolarHBondContact O-N 3.09Å; A513-L515 VanDerWaalsContact O-N 3.14Å; A513-N547 VanDerWaalsContact CA-OD1 3.24Å; A513-N547 WeakPolarHBondContact CA-OD1 3.28Å; A513-G612 CarbonylContact O-C 3.56Å; A513-G612 WeakPolarHBondContact O-CA 3.38Å; A513-L613 PolarHBondContact N-O 2.82Å; A513-L613 PolarHBondContact O-N 2.88Å; A513-Y615 HydrophobicContact CB-CE2 4.12Å
514	D	88.8	Confident	84.1	Confident	95 Å²	95	41.5 Å²	41.5	51%	0.508	23%	0.234	S	C	.	.	S	Bend	trans	53.2	31	175.3	-74.6	-47.6	0	0	0	115.3	L546 N547 K611	D514-L546 PolarHBondContact N-O 3.26Å; D514-N547 PolarHBondContact N-OD1 3.09Å; D514-K611 VanDerWaalsContact O-CD 3.31Å; D514-K611 WeakPolarHBondContact O-CD 3.35Å; D514-K611 WeakPolarHBondContact O-CE 3.49Å; D514-K611 WeakPolarHBondContact O-CG 3.48Å; D514-K611 PolarHBondContact O-NZ 3.41Å
515	L	89.1	Confident	84.1	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-55	156.2	178.2	-65.4	177.7	0	0	0	112.6	A512 A513 P526 L546 P548 V569 L581 L601 K611	A512-L515 HydrophobicContact CB-CD1 4.14Å; A512-L515 HydrophobicContact CB-CD2 4.05Å; A512-L515 HydrophobicContact CB-CG 4.17Å; A513-L515 PolarHBondContact O-N 3.09Å; A513-L515 VanDerWaalsContact O-N 3.14Å; L515-P526 HydrophobicContact CD1-CB 3.73Å; L515-P526 HydrophobicContact CD1-CG 3.83Å; L515-L546 HydrophobicContact CB-CD2 4.39Å; L515-L546 WeakPolarHBondContact CG-O 3.4Å; L515-L546 PolarHBondContact N-O 2.74Å; L515-P548 HydrophobicContact CD1-CG 3.86Å; L515-V569 HydrophobicContact CD1-CG1 4.18Å; L515-V569 HydrophobicContact CD2-CG1 4.16Å; L515-L581 HydrophobicContact CD1-CD1 4.5Å; L515-L601 HydrophobicContact CD2-CD1 3.57Å; L515-K611 PolarHBondContact O-NZ 3.45Å
516	L	85.3	Confident	84.2	Confident	63 Å²	63	42.1 Å²	42.1	33%	0.33	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-60.2	142.2	163.9	-163.7	89.7	0	0	0	109.1	S524 L581 F610 K611	L516-S524 PolarHBondContact O-OG 2.53Å; L516-S524 VanDerWaalsContact O-OG 3.09Å; L516-L581 HydrophobicContact CB-CD2 4.25Å; L516-F610 HydrophobicContact CB-CE1 4.01Å; L516-F610 HydrophobicContact CD2-CE1 4.24Å; L516-F610 HydrophobicContact CD2-CZ 4.09Å; L516-F610 HydrophobicContact CG-CE1 4.49Å; L516-K611 HydrophobicContact CD1-CB 4.36Å; L516-K611 PolarHBondContact N-O 2.9Å
517	A	83.6	Confident	84.3	Confident	42 Å²	42	43.1 Å²	43.1	35%	0.347	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-90.8	116.9	163.5	0	0	0	0	0	108.3	G522 K523 L546	A517-G522 VanDerWaalsContact CB-C 3.47Å; A517-K523 VanDerWaalsContact CA-O 3.27Å; A517-K523 WeakPolarHBondContact CA-O 3.21Å; A517-K523 WeakPolarHBondContact CB-O 3.19Å; A517-L546 HydrophobicContact CB-CD1 4.33Å; A517-L546 HydrophobicContact CB-CD2 4Å
518	A	75.9	Confident	84.3	Confident	44 Å²	44	43.1 Å²	43.1	36%	0.364	24%	0.242	S	C	.	.			trans	-92.4	-27.2	171.3	0	0	0	0	0	112	K523 S524 D571 D579 L581	A518-K523 PolarHBondContact N-O 2.57Å; A518-S524 PolarHBondContact N-OG 2.79Å; A518-D571 WeakPolarHBondContact CB-OD2 3.3Å; A518-D579 HydrophobicContact CB-CB 4.48Å; A518-L581 HydrophobicContact CB-CD2 4.21Å
519	D	74.9	Confident	84.2	Confident	50 Å²	50	43.9 Å²	43.9	27%	0.267	25%	0.246	S	C	.	.	S	Bend	trans	-69.7	141.1	-174.5	-155.6	16.7	0	0	0	111.7	S521 G522 K523	D519-S521 PolarHBondContact O-N 3.1Å; D519-S521 WeakPolarHBondContact OD2-CB 3.1Å; D519-S521 PolarHBondContact OD2-OG 3.35Å; D519-G522 PolarHBondContact O-N 2.93Å; D519-K523 WeakPolarHBondContact CB-O 3.25Å; D519-K523 PolarHBondContact N-O 2.96Å; D519-K523 VanDerWaalsContact N-O 3.1Å
520	F	66.6	Low	84.2	Confident	213 Å²	213	43.9 Å²	43.9	93%	0.934	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-15.9	171.9	-66	-82.3	0	0	0	112.9	G522	F520-G522 VanDerWaalsContact C-N 3.28Å; F520-G522 PolarHBondContact O-N 3.49Å
521	S	68.1	Low	84	Confident	67 Å²	67	43.6 Å²	43.6	47%	0.469	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-2.6	174.9	82.2	0	0	0	0	114.6	D519 K523	D519-S521 PolarHBondContact O-N 3.1Å; D519-S521 WeakPolarHBondContact OD2-CB 3.1Å; D519-S521 PolarHBondContact OD2-OG 3.35Å; S521-K523 VanDerWaalsContact C-N 3.33Å
522	G	75	Confident	83.7	Confident	49 Å²	49	40.2 Å²	40.2	51%	0.505	23%	0.23	S	C	.	.	S	Bend	trans	74.6	24.7	-175.1	0	0	0	0	0	113.3	A517 D519 F520	A517-G522 VanDerWaalsContact CB-C 3.47Å; D519-G522 PolarHBondContact O-N 2.93Å; F520-G522 VanDerWaalsContact C-N 3.28Å; F520-G522 PolarHBondContact O-N 3.49Å
523	K	81.3	Confident	83.1	Confident	94 Å²	94	40.8 Å²	40.8	41%	0.409	24%	0.236	S	C	.	.			trans	-136.7	-166	-178.5	-63.4	-175.7	153.2	-150	0	110.2	A517 A518 D519 S521 K544	A517-K523 VanDerWaalsContact CA-O 3.27Å; A517-K523 WeakPolarHBondContact CA-O 3.21Å; A517-K523 WeakPolarHBondContact CB-O 3.19Å; A518-K523 PolarHBondContact N-O 2.57Å; D519-K523 WeakPolarHBondContact CB-O 3.25Å; D519-K523 PolarHBondContact N-O 2.96Å; D519-K523 VanDerWaalsContact N-O 3.1Å; S521-K523 VanDerWaalsContact C-N 3.33Å; K523-K544 HydrophobicContact CD-CB 3.84Å; K523-K544 WeakPolarHBondContact CD-O 3.28Å; K523-K544 PolarHBondContact NZ-O 3.34Å
524	S	85	Confident	82.3	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.233	C	C	.	.			trans	-151.8	160.5	171.4	-76.9	0	0	0	0	109	L516 A518 P526 K544 N545 D571	L516-S524 PolarHBondContact O-OG 2.53Å; L516-S524 VanDerWaalsContact O-OG 3.09Å; A518-S524 PolarHBondContact N-OG 2.79Å; S524-P526 WeakPolarHBondContact O-CD 3.38Å; S524-K544 CarbonylContact O-C 3.46Å; S524-K544 WeakPolarHBondContact O-CA 3.42Å; S524-K544 PolarHBondContact O-N 3.1Å; S524-N545 PolarHBondContact O-N 3.45Å; S524-D571 WeakPolarHBondContact CB-OD2 3.39Å; S524-D571 PolarHBondContact OG-OD2 3.01Å
525	D	85.8	Confident	81.6	Confident	24 Å²	24	36.3 Å²	36.3	13%	0.128	21%	0.21	C	C	.	.			trans	-109.4	66.7	170.8	-65.6	-19.3	0	0	0	109.3	T541 Y543 K544 D571 E572	D525-T541 HydrophobicContact CB-CG2 4.18Å; D525-T541 WeakPolarHBondContact O-CG2 3.21Å; D525-Y543 HydrophobicContact CB-CD1 3.89Å; D525-Y543 HydrophobicContact CB-CE1 4.42Å; D525-Y543 VanDerWaalsContact OD1-CA 3.24Å; D525-Y543 WeakPolarHBondContact OD1-CA 3.48Å; D525-Y543 WeakPolarHBondContact OD2-CD1 3.38Å; D525-K544 WeakPolarHBondContact OD1-CG 3.36Å; D525-K544 PolarHBondContact OD1-N 3.16Å; D525-D571 WeakPolarHBondContact CA-OD1 3.33Å; D525-D571 PolarHBondContact N-OD1 3.36Å; D525-E572 PolarHBondContact O-N 3.39Å; D525-E572 VanDerWaalsContact O-N 3.11Å
526	P	89.8	Confident	81	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	146.7	-167.1	30	-40.3	0	0	0	116	L515 S524 I542 N545 P548 W550 V569 F570 L581	L515-P526 HydrophobicContact CD1-CB 3.73Å; L515-P526 HydrophobicContact CD1-CG 3.83Å; S524-P526 WeakPolarHBondContact O-CD 3.38Å; P526-I542 VanDerWaalsContact CD-O 3.27Å; P526-I542 WeakPolarHBondContact CD-O 3.41Å; P526-I542 PolarHBondContact O-N 2.72Å; P526-N545 VanDerWaalsContact CD-O 3.31Å; P526-N545 WeakPolarHBondContact CD-O 3.39Å; P526-N545 VanDerWaalsContact CG-O 3.3Å; P526-N545 WeakPolarHBondContact CG-O 3.2Å; P526-P548 HydrophobicContact CB-CG 4.26Å; P526-P548 HydrophobicContact CG-CB 3.8Å; P526-P548 HydrophobicContact CG-CG 3.57Å; P526-W550 HydrophobicContact CB-CZ2 4.17Å; P526-W550 HydrophobicContact CG-CZ2 4.48Å; P526-V569 HydrophobicContact CB-CG1 4.23Å; P526-F570 CarbonylContact C-O 3.54Å; P526-F570 VanDerWaalsContact CA-O 3.24Å; P526-F570 WeakPolarHBondContact CA-O 3.37Å; P526-L581 HydrophobicContact CB-CD1 3.91Å
527	F	89	Confident	80.6	Confident	22 Å²	22	39.5 Å²	39.5	10%	0.096	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	159.8	164	69.5	-82.9	0	0	0	111.5	V569 F570 E572 P578	F527-V569 WeakPolarHBondContact O-CA 3.48Å; F527-F570 HydrophobicContact CD1-CB 4.05Å; F527-F570 HydrophobicContact CD2-CB 4.44Å; F527-F570 HydrophobicContact CE1-CB 3.46Å; F527-F570 VanDerWaalsContact CE1-CB 3.46Å; F527-F570 HydrophobicContact CE2-CB 3.92Å; F527-F570 HydrophobicContact CE2-CD2 4.14Å; F527-F570 HydrophobicContact CE2-CG 4.42Å; F527-F570 HydrophobicContact CZ-CB 3.39Å; F527-F570 HydrophobicContact CZ-CD2 4.21Å; F527-F570 HydrophobicContact CZ-CG 4.07Å; F527-F570 PolarHBondContact N-O 2.91Å; F527-F570 PolarHBondContact O-N 2.81Å; F527-E572 HydrophobicContact CD1-CB 4.12Å; F527-E572 HydrophobicContact CE1-CB 4.13Å; F527-P578 HydrophobicContact CE1-CB 4Å; F527-P578 HydrophobicContact CZ-CB 4.05Å; F527-P578 HydrophobicContact CZ-CG 4.25Å
528	C	89.1	Confident	80.5	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	136.4	172.9	-71.9	0	0	0	0	111	V509 L530 Q538 T539 W550 V567 T568	V509-C528 HydrophobicContact CG1-CB 4.48Å; C528-L530 HydrophobicContact CB-CD1 4.14Å; C528-Q538 CarbonylContact O-C 3.59Å; C528-Q538 VanDerWaalsContact O-CA 3.31Å; C528-Q538 WeakPolarHBondContact O-CA 3.44Å; C528-T539 HydrophobicContact CB-CG2 3.79Å; C528-T539 PolarHBondContact N-OG1 2.82Å; C528-T539 PolarHBondContact O-N 3.41Å; C528-W550 WeakPolarHBondContact SG-CH2 3.4Å; C528-W550 WeakPolarHBondContact SG-CZ3 3.34Å; C528-V567 HydrophobicContact CB-CG1 4.42Å; C528-T568 CarbonylContact C-O 3.59Å; C528-T568 WeakPolarHBondContact CA-O 3.34Å
529	L	87.5	Confident	80.7	Confident	29 Å²	29	40 Å²	40	15%	0.152	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	133.4	165.7	175.4	71.1	0	0	0	108.4	E531 R536 Q538 V567 T568 F570	L529-E531 HydrophobicContact CD2-CG 4.32Å; L529-E531 WeakPolarHBondContact CD2-OE1 3.44Å; L529-E531 HydrophobicContact CG-CG 4.2Å; L529-R536 HydrophobicContact CD1-CB 4.49Å; L529-Q538 HydrophobicContact CD1-CB 4.15Å; L529-V567 CarbonylContact O-C 3.52Å; L529-V567 WeakPolarHBondContact O-CA 3.35Å; L529-T568 WeakPolarHBondContact CB-OG1 3.22Å; L529-T568 PolarHBondContact N-O 2.84Å; L529-T568 PolarHBondContact O-N 2.89Å; L529-T568 PolarHBondContact O-OG1 2.8Å; L529-F570 HydrophobicContact CB-CD2 4.24Å; L529-F570 HydrophobicContact CB-CE2 4.22Å; L529-F570 HydrophobicContact CD2-CE2 3.99Å
530	L	88.5	Confident	80.7	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	121.6	-179.1	-70.5	76	0	0	0	108	V507 V509 C528 R536 L537 F554 F556 V567	V507-L530 HydrophobicContact CB-CD2 4.11Å; V507-L530 HydrophobicContact CG1-CD2 3.64Å; V509-L530 HydrophobicContact CG2-CD1 3.99Å; V509-L530 HydrophobicContact CG2-CD2 3.8Å; V509-L530 HydrophobicContact CG2-CG 4.42Å; C528-L530 HydrophobicContact CB-CD1 4.14Å; L530-R536 WeakPolarHBondContact O-CA 3.31Å; L530-L537 PolarHBondContact N-O 3.27Å; L530-L537 PolarHBondContact O-N 2.69Å; L530-F554 HydrophobicContact CD1-CD2 4.45Å; L530-F554 HydrophobicContact CD1-CE2 4.17Å; L530-F554 HydrophobicContact CD1-CZ 4.3Å; L530-F554 HydrophobicContact CD2-CB 4.25Å; L530-F554 HydrophobicContact CD2-CD2 3.8Å; L530-F554 HydrophobicContact CD2-CE2 4.32Å; L530-F554 HydrophobicContact CD2-CG 3.98Å; L530-F556 HydrophobicContact CB-CE2 4.41Å; L530-F556 HydrophobicContact CB-CZ 3.86Å; L530-F556 HydrophobicContact CD2-CE2 4.17Å; L530-F556 HydrophobicContact CD2-CZ 4.41Å; L530-V567 HydrophobicContact CD1-CG1 4.37Å; L530-V567 HydrophobicContact CG-CG1 4.19Å; L530-V567 HydrophobicContact CG-CG2 4.18Å
531	E	85.8	Confident	81.4	Confident	26 Å²	26	32.5 Å²	32.5	12%	0.121	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	124.6	177.7	-44.9	-162.4	179.1	0	0	110.6	L529 D535 R536 E566	L529-E531 HydrophobicContact CD2-CG 4.32Å; L529-E531 WeakPolarHBondContact CD2-OE1 3.44Å; L529-E531 HydrophobicContact CG-CG 4.2Å; E531-D535 CarbonylContact C-O 3.48Å; E531-D535 VanDerWaalsContact CA-O 3.28Å; E531-D535 WeakPolarHBondContact CA-O 3.36Å; E531-R536 HydrophobicContact CB-CG 4.25Å; E531-R536 VanDerWaalsContact CD-CZ 3.48Å; E531-R536 VanDerWaalsContact CD-NH2 3.28Å; E531-R536 HydrophobicContact CG-CG 3.94Å; E531-R536 IonicContact OE1-CZ 2.69Å; E531-R536 VanDerWaalsContact OE1-CZ 3.23Å; E531-R536 IonicContact OE1-NE 3.16Å; E531-R536 PolarHBondContact OE1-NE 2.87Å; E531-R536 VanDerWaalsContact OE1-NE 3.16Å; E531-R536 IonicContact OE1-NH2 2.74Å; E531-R536 PolarHBondContact OE1-NH2 2.92Å; E531-R536 VanDerWaalsContact OE1-NH2 3.1Å; E531-R536 IonicContact OE2-CZ 2.89Å; E531-R536 IonicContact OE2-NE 2.73Å; E531-R536 PolarHBondContact OE2-NE 2.83Å; E531-R536 IonicContact OE2-NH2 2.75Å; E531-R536 PolarHBondContact OE2-NH2 2.83Å; E531-E566 HydrophobicContact CB-CB 4.37Å; E531-E566 PolarHBondContact N-O 2.96Å; E531-E566 PolarHBondContact O-N 2.77Å
532	L	85.1	Confident	82	Confident	9 Å²	9	30.8 Å²	30.8	5%	0.047	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	102.9	171.4	-173.8	66.6	0	0	0	110.1	L505 N534 D535 F556 D563 L565 L588	L505-L532 HydrophobicContact CD2-CD2 4Å; L532-N534 VanDerWaalsContact C-N 3.32Å; L532-N534 PolarHBondContact O-N 3.37Å; L532-D535 PolarHBondContact N-O 2.71Å; L532-D535 PolarHBondContact O-N 2.9Å; L532-F556 HydrophobicContact CB-CD1 3.93Å; L532-F556 HydrophobicContact CB-CE1 4.15Å; L532-F556 HydrophobicContact CB-CG 4.36Å; L532-F556 HydrophobicContact CD2-CB 3.69Å; L532-F556 HydrophobicContact CD2-CD1 4.37Å; L532-F556 HydrophobicContact CD2-CG 4.1Å; L532-D563 HydrophobicContact CD1-CB 4.31Å; L532-L565 HydrophobicContact CB-CD1 4.31Å; L532-L565 HydrophobicContact CD1-CB 4.22Å; L532-L588 HydrophobicContact CD1-CD1 4.23Å; L532-L588 HydrophobicContact CD1-CD2 3.95Å; L532-L588 HydrophobicContact CD1-CG 4.31Å
533	G	79.6	Confident	82.5	Confident	13 Å²	13	35.6 Å²	35.6	13%	0.134	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	-86.4	-176.8	0	0	0	0	0	111.9
534	N	74.8	Confident	82.5	Confident	16 Å²	16	36.4 Å²	36.4	9%	0.086	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125	-8.7	175.9	-82.9	-46.8	0	0	0	113.5	L532 K637 R638 F639	L532-N534 VanDerWaalsContact C-N 3.32Å; L532-N534 PolarHBondContact O-N 3.37Å; N534-K637 PolarHBondContact ND2-O 3.15Å; N534-K637 PolarHBondContact OD1-O 3.27Å; N534-R638 VanDerWaalsContact OD1-CA 3.28Å; N534-R638 WeakPolarHBondContact OD1-CA 3.02Å; N534-F639 HydrophobicContact CB-CD1 4.42Å; N534-F639 HydrophobicContact CB-CD2 4.21Å; N534-F639 HydrophobicContact CB-CE1 3.84Å; N534-F639 HydrophobicContact CB-CE2 3.65Å; N534-F639 HydrophobicContact CB-CZ 3.43Å; N534-F639 VanDerWaalsContact CB-CZ 3.43Å; N534-F639 WeakPolarHBondContact ND2-CE1 3.46Å; N534-F639 WeakPolarHBondContact OD1-CD1 3Å; N534-F639 VanDerWaalsContact OD1-CE1 3.32Å; N534-F639 WeakPolarHBondContact OD1-CE1 3.41Å; N534-F639 WeakPolarHBondContact OD1-CG 3.27Å; N534-F639 PolarHBondContact OD1-N 3.27Å
535	D	74.8	Confident	82.5	Confident	2 Å²	2	39 Å²	39	1%	0.011	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	127.9	-179.3	-64.5	5.7	0	0	0	108.6	W348 H401 E531 L532 F556	W348-D535 HydrophobicContact CH2-CB 3.77Å; W348-D535 HydrophobicContact CZ2-CB 4.19Å; W348-D535 VanDerWaalsContact CZ2-CG 3.47Å; W348-D535 WeakPolarHBondContact CZ2-OD2 3.44Å; H401-D535 IonicContact CE1-OD1 3.29Å; H401-D535 PolarHBondContact CE1-OD1 2.73Å; H401-D535 IonicContact NE2-OD1 3.01Å; E531-D535 CarbonylContact C-O 3.48Å; E531-D535 VanDerWaalsContact CA-O 3.28Å; E531-D535 WeakPolarHBondContact CA-O 3.36Å; L532-D535 PolarHBondContact N-O 2.71Å; L532-D535 PolarHBondContact O-N 2.9Å; D535-F556 HydrophobicContact CB-CD1 3.78Å; D535-F556 HydrophobicContact CB-CE1 3.97Å
536	R	75.5	Confident	82.5	Confident	120 Å²	120	39.8 Å²	39.8	45%	0.453	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	119.9	-177.1	-66.7	-173.5	164.1	-176.6	-13.3	111	L529 L530 E531	L529-R536 HydrophobicContact CD1-CB 4.49Å; L530-R536 WeakPolarHBondContact O-CA 3.31Å; E531-R536 HydrophobicContact CB-CG 4.25Å; E531-R536 VanDerWaalsContact CD-CZ 3.48Å; E531-R536 VanDerWaalsContact CD-NH2 3.28Å; E531-R536 HydrophobicContact CG-CG 3.94Å; E531-R536 IonicContact OE1-CZ 2.69Å; E531-R536 VanDerWaalsContact OE1-CZ 3.23Å; E531-R536 IonicContact OE1-NE 3.16Å; E531-R536 PolarHBondContact OE1-NE 2.87Å; E531-R536 VanDerWaalsContact OE1-NE 3.16Å; E531-R536 IonicContact OE1-NH2 2.74Å; E531-R536 PolarHBondContact OE1-NH2 2.92Å; E531-R536 VanDerWaalsContact OE1-NH2 3.1Å; E531-R536 IonicContact OE2-CZ 2.89Å; E531-R536 IonicContact OE2-NE 2.73Å; E531-R536 PolarHBondContact OE2-NE 2.83Å; E531-R536 IonicContact OE2-NH2 2.75Å; E531-R536 PolarHBondContact OE2-NH2 2.83Å
537	L	77.6	Confident	82.4	Confident	9 Å²	9	43.6 Å²	43.6	5%	0.047	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	146.2	-179.3	-53.9	176.1	0	0	0	109.9	V467 I469 L530 F554 F556	V467-L537 HydrophobicContact CG1-CD1 4.07Å; V467-L537 HydrophobicContact CG1-CD2 4.06Å; I469-L537 HydrophobicContact CD1-CB 4.22Å; I469-L537 HydrophobicContact CD1-CD2 4.16Å; I469-L537 HydrophobicContact CG1-CD1 4.27Å; I469-L537 HydrophobicContact CG1-CD2 4.5Å; L530-L537 PolarHBondContact N-O 3.27Å; L530-L537 PolarHBondContact O-N 2.69Å; L537-F554 HydrophobicContact CB-CD1 3.64Å; L537-F554 HydrophobicContact CB-CE1 3.93Å; L537-F554 HydrophobicContact CD1-CB 4.32Å; L537-F554 HydrophobicContact CD1-CD1 3.9Å; L537-F554 HydrophobicContact CG-CD1 4.43Å; L537-F556 HydrophobicContact CB-CE1 4.49Å; L537-F556 HydrophobicContact CB-CZ 4.2Å; L537-F556 HydrophobicContact CD1-CD1 4.16Å; L537-F556 HydrophobicContact CD1-CE1 3.61Å; L537-F556 HydrophobicContact CD1-CE2 4.15Å; L537-F556 HydrophobicContact CD1-CZ 3.61Å; L537-F556 HydrophobicContact CG-CE1 3.83Å; L537-F556 HydrophobicContact CG-CZ 3.97Å
538	Q	80.1	Confident	82.4	Confident	91 Å²	91	42.5 Å²	42.5	43%	0.425	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	153.4	-176.3	61.6	177.6	70.8	0	0	113.2	C528 L529 F554	C528-Q538 CarbonylContact O-C 3.59Å; C528-Q538 VanDerWaalsContact O-CA 3.31Å; C528-Q538 WeakPolarHBondContact O-CA 3.44Å; L529-Q538 HydrophobicContact CD1-CB 4.15Å; Q538-F554 WeakPolarHBondContact O-CE1 3.07Å
539	T	80.3	Confident	82.4	Confident	6 Å²	6	47.4 Å²	47.4	4%	0.037	22%	0.222	C	C	.	.			trans	-76.7	177	168.4	67.4	0	0	0	0	111.3	V509 C528 W550 F554	V509-T539 HydrophobicContact CB-CG2 4.43Å; V509-T539 HydrophobicContact CG1-CG2 4.13Å; C528-T539 HydrophobicContact CB-CG2 3.79Å; C528-T539 PolarHBondContact N-OG1 2.82Å; C528-T539 PolarHBondContact O-N 3.41Å; T539-W550 HydrophobicContact CG2-CB 4.26Å; T539-W550 HydrophobicContact CG2-CD2 4.46Å; T539-W550 HydrophobicContact CG2-CG 4.08Å; T539-W550 PolarHBondContact OG1-NE1 3.45Å; T539-F554 HydrophobicContact CG2-CE2 3.9Å; T539-F554 HydrophobicContact CG2-CZ 3.74Å
540	H	75	Confident	82.2	Confident	84 Å²	84	46.4 Å²	46.4	39%	0.389	22%	0.217	S	C	.	.			trans	-76.9	157	159	66.5	-78.1	0	0	0	110.4	W550	H540-W550 AromaticContact CE1-CD1 3.9Å; H540-W550 PolarHBondContact CE1-O 3.01Å; H540-W550 PolarHBondContact O-NE1 2.87Å
541	T	82.9	Confident	81.9	Confident	22 Å²	22	49.4 Å²	49.4	14%	0.135	23%	0.233	C	C	.	.			trans	-79.7	141.3	174.5	-40.2	0	0	0	0	111.1	D525 Y543 E572	D525-T541 HydrophobicContact CB-CG2 4.18Å; D525-T541 WeakPolarHBondContact O-CG2 3.21Å; T541-Y543 HydrophobicContact CG2-CE1 4.1Å; T541-E572 VanDerWaalsContact CB-OE2 3.25Å; T541-E572 WeakPolarHBondContact CB-OE2 3.46Å; T541-E572 HydrophobicContact CG2-CB 3.7Å; T541-E572 VanDerWaalsContact CG2-OE2 3.29Å; T541-E572 WeakPolarHBondContact CG2-OE2 3.4Å; T541-E572 PolarHBondContact OG1-OE2 2.94Å
542	I	80.3	Confident	81.5	Confident	30 Å²	30	50 Å²	50	15%	0.154	24%	0.235	C	C	.	.			trans	-118.3	99.7	176.5	-64.4	-177.8	0	0	0	109.6	P526 N545 P548 E549 W550	P526-I542 VanDerWaalsContact CD-O 3.27Å; P526-I542 WeakPolarHBondContact CD-O 3.41Å; P526-I542 PolarHBondContact O-N 2.72Å; I542-N545 HydrophobicContact CG2-CB 4.13Å; I542-P548 HydrophobicContact CB-CB 3.96Å; I542-P548 HydrophobicContact CD1-CB 3.99Å; I542-P548 HydrophobicContact CG1-CB 4.47Å; I542-P548 HydrophobicContact CG2-CB 4.11Å; I542-E549 WeakPolarHBondContact CD1-O 3.28Å; I542-W550 HydrophobicContact CD1-CD2 4.45Å; I542-W550 HydrophobicContact CD1-CG 3.9Å
543	Y	84.1	Confident	81.3	Confident	151 Å²	151	49.6 Å²	49.6	59%	0.592	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	134.9	-173.8	-56.8	-77.3	0	0	0	113.8	D525 T541 E572	D525-Y543 HydrophobicContact CB-CD1 3.89Å; D525-Y543 HydrophobicContact CB-CE1 4.42Å; D525-Y543 VanDerWaalsContact OD1-CA 3.24Å; D525-Y543 WeakPolarHBondContact OD1-CA 3.48Å; D525-Y543 WeakPolarHBondContact OD2-CD1 3.38Å; T541-Y543 HydrophobicContact CG2-CE1 4.1Å; Y543-E572 PolarHBondContact OH-OE2 2.89Å
544	K	83.1	Confident	81.4	Confident	111 Å²	111	49 Å²	49	48%	0.483	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	46.1	165.2	-62.2	-170.1	176.5	177	0	113.8	K523 S524 D525	K523-K544 HydrophobicContact CD-CB 3.84Å; K523-K544 WeakPolarHBondContact CD-O 3.28Å; K523-K544 PolarHBondContact NZ-O 3.34Å; S524-K544 CarbonylContact O-C 3.46Å; S524-K544 WeakPolarHBondContact O-CA 3.42Å; S524-K544 PolarHBondContact O-N 3.1Å; D525-K544 WeakPolarHBondContact OD1-CG 3.36Å; D525-K544 PolarHBondContact OD1-N 3.16Å
545	N	83.2	Confident	81.6	Confident	53 Å²	53	48.3 Å²	48.3	28%	0.283	22%	0.223	S	C	.	.			trans	-144.6	126.3	-177.3	-170.6	7.5	0	0	0	112.8	S524 P526 I542 N547	S524-N545 PolarHBondContact O-N 3.45Å; P526-N545 VanDerWaalsContact CD-O 3.31Å; P526-N545 WeakPolarHBondContact CD-O 3.39Å; P526-N545 VanDerWaalsContact CG-O 3.3Å; P526-N545 WeakPolarHBondContact CG-O 3.2Å; I542-N545 HydrophobicContact CG2-CB 4.13Å; N545-N547 VanDerWaalsContact ND2-C 3.33Å; N545-N547 PolarHBondContact ND2-O 3.28Å; N545-N547 PolarHBondContact OD1-N 3.03Å; N545-N547 PolarHBondContact OD1-O 2.98Å
546	L	86.1	Confident	81.9	Confident	41 Å²	41	48.2 Å²	48.2	22%	0.215	22%	0.222	C	C	.	.	S	Bend	trans	-87.2	-8.4	174.2	-59.5	178.6	0	0	0	113.5	D514 L515 A517 P548	D514-L546 PolarHBondContact N-O 3.26Å; L515-L546 HydrophobicContact CB-CD2 4.39Å; L515-L546 WeakPolarHBondContact CG-O 3.4Å; L515-L546 PolarHBondContact N-O 2.74Å; A517-L546 HydrophobicContact CB-CD1 4.33Å; A517-L546 HydrophobicContact CB-CD2 4Å; L546-P548 WeakPolarHBondContact O-CD 3.33Å
547	N	88.5	Confident	82.1	Confident	80 Å²	80	42.9 Å²	42.9	43%	0.428	20%	0.203	S	C	.	.	S	Bend	trans	-124.4	63	177.1	-59	-42.9	0	0	0	110.3	A512 A513 D514 N545	A512-N547 CarbonylContact O-C 3.58Å; A512-N547 VanDerWaalsContact O-CA 3.29Å; A512-N547 WeakPolarHBondContact O-CA 3.33Å; A513-N547 VanDerWaalsContact CA-OD1 3.24Å; A513-N547 WeakPolarHBondContact CA-OD1 3.28Å; D514-N547 PolarHBondContact N-OD1 3.09Å; N545-N547 VanDerWaalsContact ND2-C 3.33Å; N545-N547 PolarHBondContact ND2-O 3.28Å; N545-N547 PolarHBondContact OD1-N 3.03Å; N545-N547 PolarHBondContact OD1-O 2.98Å
548	P	88.8	Confident	82.5	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.202	C	C	.	.			trans	-71.8	135.5	-175.6	32.1	-39.1	0	0	0	112.6	K511 A512 L515 P526 I542 L546 W550	K511-P548 CarbonylContact C-O 3.57Å; K511-P548 WeakPolarHBondContact CA-O 2.95Å; K511-P548 WeakPolarHBondContact CB-O 3.15Å; A512-P548 HydrophobicContact CB-CG 3.92Å; A512-P548 PolarHBondContact N-O 3.12Å; L515-P548 HydrophobicContact CD1-CG 3.86Å; P526-P548 HydrophobicContact CB-CG 4.26Å; P526-P548 HydrophobicContact CG-CB 3.8Å; P526-P548 HydrophobicContact CG-CG 3.57Å; I542-P548 HydrophobicContact CB-CB 3.96Å; I542-P548 HydrophobicContact CD1-CB 3.99Å; I542-P548 HydrophobicContact CG1-CB 4.47Å; I542-P548 HydrophobicContact CG2-CB 4.11Å; L546-P548 WeakPolarHBondContact O-CD 3.33Å; P548-W550 HydrophobicContact CB-CD2 4.41Å; P548-W550 HydrophobicContact CB-CH2 4.05Å; P548-W550 HydrophobicContact CB-CZ2 3.74Å; P548-W550 HydrophobicContact CB-CZ3 4.49Å; P548-W550 HydrophobicContact CG-CE3 4.49Å; P548-W550 HydrophobicContact CG-CH2 3.32Å; P548-W550 HydrophobicContact CG-CZ2 3.46Å; P548-W550 VanDerWaalsContact CG-CZ2 3.46Å; P548-W550 HydrophobicContact CG-CZ3 3.89Å
549	E	89.3	Confident	82.6	Confident	103 Å²	103	39.4 Å²	39.4	48%	0.481	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	104.6	174.1	-52.4	-160.1	144.7	0	0	110.4	L510 K511 I542	L510-E549 CarbonylContact O-C 3.54Å; K511-E549 HydrophobicContact CB-CB 4.09Å; K511-E549 HydrophobicContact CB-CG 3.81Å; K511-E549 HydrophobicContact CD-CG 3.8Å; K511-E549 WeakPolarHBondContact CD-OE1 3.32Å; K511-E549 WeakPolarHBondContact CE-OE1 3.14Å; K511-E549 IonicContact NZ-OE1 2.77Å; K511-E549 PolarHBondContact NZ-OE1 2.78Å; I542-E549 WeakPolarHBondContact CD1-O 3.28Å
550	W	83.8	Confident	82.9	Confident	7 Å²	7	39.3 Å²	39.3	3%	0.027	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-38	-174.9	-62.9	-76.3	0	0	0	113.4	V509 L510 A512 P526 C528 T539 H540 I542 P548 K552 V569	V509-W550 HydrophobicContact CG1-CB 4.45Å; V509-W550 HydrophobicContact CG1-CD2 4.37Å; V509-W550 HydrophobicContact CG1-CE3 3.75Å; V509-W550 HydrophobicContact CG1-CZ3 4.38Å; L510-W550 PolarHBondContact O-N 3.32Å; A512-W550 HydrophobicContact CB-CH2 3.74Å; A512-W550 HydrophobicContact CB-CZ3 3.66Å; P526-W550 HydrophobicContact CB-CZ2 4.17Å; P526-W550 HydrophobicContact CG-CZ2 4.48Å; C528-W550 WeakPolarHBondContact SG-CH2 3.4Å; C528-W550 WeakPolarHBondContact SG-CZ3 3.34Å; T539-W550 HydrophobicContact CG2-CB 4.26Å; T539-W550 HydrophobicContact CG2-CD2 4.46Å; T539-W550 HydrophobicContact CG2-CG 4.08Å; T539-W550 PolarHBondContact OG1-NE1 3.45Å; H540-W550 AromaticContact CE1-CD1 3.9Å; H540-W550 PolarHBondContact CE1-O 3.01Å; H540-W550 PolarHBondContact O-NE1 2.87Å; I542-W550 HydrophobicContact CD1-CD2 4.45Å; I542-W550 HydrophobicContact CD1-CG 3.9Å; P548-W550 HydrophobicContact CB-CD2 4.41Å; P548-W550 HydrophobicContact CB-CH2 4.05Å; P548-W550 HydrophobicContact CB-CZ2 3.74Å; P548-W550 HydrophobicContact CB-CZ3 4.49Å; P548-W550 HydrophobicContact CG-CE3 4.49Å; P548-W550 HydrophobicContact CG-CH2 3.32Å; P548-W550 HydrophobicContact CG-CZ2 3.46Å; P548-W550 VanDerWaalsContact CG-CZ2 3.46Å; P548-W550 HydrophobicContact CG-CZ3 3.89Å; W550-K552 VanDerWaalsContact C-N 3.3Å; W550-K552 PolarHBondContact O-N 2.89Å; W550-V569 HydrophobicContact CH2-CG1 4.4Å
551	N	82.4	Confident	83.6	Confident	63 Å²	63	35.3 Å²	35.3	34%	0.337	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	45.7	48.7	-178.2	-60	-58.8	0	0	0	113.7	L472 V509 L510	L472-N551 HydrophobicContact CD2-CB 4.31Å; V509-N551 VanDerWaalsContact O-CA 3.28Å; V509-N551 WeakPolarHBondContact O-CA 3.32Å; V509-N551 PolarHBondContact O-N 2.85Å; L510-N551 PolarHBondContact O-N 2.87Å
552	K	76.3	Confident	83.8	Confident	39 Å²	39	35 Å²	35	17%	0.17	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	145.2	-179.8	-70.6	-58.8	-173.8	175.8	0	111.7	D471 K508 V509 W550 F554	D471-K552 IonicContact OD1-NZ 2.89Å; D471-K552 PolarHBondContact OD1-NZ 2.85Å; K508-K552 CarbonylContact C-O 3.58Å; K508-K552 WeakPolarHBondContact CA-O 3.44Å; V509-K552 PolarHBondContact N-O 3Å; V509-K552 PolarHBondContact O-N 2.85Å; W550-K552 VanDerWaalsContact C-N 3.3Å; W550-K552 PolarHBondContact O-N 2.89Å; K552-F554 HydrophobicContact CB-CE2 3.7Å; K552-F554 HydrophobicContact CB-CZ 4.11Å
553	V	81.5	Confident	84.3	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	128.5	-179.9	-176.9	0	0	0	0	110.1	I469 S470 L472 Q506 V507 K508	I469-V553 WeakPolarHBondContact CA-O 3.24Å; S470-V553 PolarHBondContact N-O 2.85Å; S470-V553 PolarHBondContact O-N 3.45Å; L472-V553 HydrophobicContact CB-CG2 4.42Å; L472-V553 HydrophobicContact CD1-CG2 3.74Å; Q506-V553 HydrophobicContact CG-CG1 3.54Å; V507-V553 WeakPolarHBondContact O-CA 3.24Å; K508-V553 HydrophobicContact CB-CG2 4.01Å; K508-V553 HydrophobicContact CD-CG2 4.17Å; K508-V553 HydrophobicContact CG-CG1 4.21Å; K508-V553 HydrophobicContact CG-CG2 3.82Å
554	F	80.1	Confident	84.6	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	136.5	179.7	-59.6	-94.9	0	0	0	108.7	I469 Q506 V507 V509 L530 L537 Q538 T539 K552 F556	I469-F554 HydrophobicContact CD1-CD1 4.13Å; I469-F554 HydrophobicContact CD1-CE1 3.91Å; I469-F554 HydrophobicContact CG1-CD1 3.8Å; I469-F554 HydrophobicContact CG1-CE1 4.01Å; I469-F554 HydrophobicContact CG2-CD1 4.27Å; I469-F554 HydrophobicContact CG2-CE1 3.99Å; Q506-F554 WeakPolarHBondContact CA-O 2.99Å; V507-F554 HydrophobicContact CB-CB 4.44Å; V507-F554 PolarHBondContact N-O 3.14Å; V507-F554 PolarHBondContact O-N 2.68Å; V509-F554 HydrophobicContact CB-CE2 4.19Å; V509-F554 HydrophobicContact CG2-CD2 3.78Å; V509-F554 HydrophobicContact CG2-CE2 3.64Å; L530-F554 HydrophobicContact CD1-CD2 4.45Å; L530-F554 HydrophobicContact CD1-CE2 4.17Å; L530-F554 HydrophobicContact CD1-CZ 4.3Å; L530-F554 HydrophobicContact CD2-CB 4.25Å; L530-F554 HydrophobicContact CD2-CD2 3.8Å; L530-F554 HydrophobicContact CD2-CE2 4.32Å; L530-F554 HydrophobicContact CD2-CG 3.98Å; L537-F554 HydrophobicContact CB-CD1 3.64Å; L537-F554 HydrophobicContact CB-CE1 3.93Å; L537-F554 HydrophobicContact CD1-CB 4.32Å; L537-F554 HydrophobicContact CD1-CD1 3.9Å; L537-F554 HydrophobicContact CG-CD1 4.43Å; Q538-F554 WeakPolarHBondContact O-CE1 3.07Å; T539-F554 HydrophobicContact CG2-CE2 3.9Å; T539-F554 HydrophobicContact CG2-CZ 3.74Å; K552-F554 HydrophobicContact CB-CE2 3.7Å; K552-F554 HydrophobicContact CB-CZ 4.11Å; F554-F556 HydrophobicContact CB-CD2 4.42Å; F554-F556 HydrophobicContact CB-CE2 3.8Å; F554-F556 HydrophobicContact CB-CZ 4.5Å
555	T	79.9	Confident	85	Confident	2 Å²	2	22.3 Å²	22.3	1%	0.012	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	135.7	174.6	-39.8	0	0	0	0	109.1	A466 V467 S468 I504 L505	A466-T555 CarbonylContact O-C 3.5Å; A466-T555 WeakPolarHBondContact O-CB 3.32Å; A466-T555 WeakPolarHBondContact O-CG2 3.29Å; V467-T555 WeakPolarHBondContact CA-O 3.21Å; S468-T555 PolarHBondContact O-N 3.26Å; S468-T555 WeakPolarHBondContact OG-CB 3.48Å; S468-T555 PolarHBondContact OG-OG1 2.99Å; I504-T555 HydrophobicContact CD1-CG2 3.52Å; I504-T555 HydrophobicContact CG1-CG2 3.58Å; L505-T555 CarbonylContact O-C 3.52Å; L505-T555 WeakPolarHBondContact O-CA 3.36Å
556	F	80.9	Confident	85.4	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	134.8	-178.8	-65.7	-94.3	0	0	0	111.1	I504 L505 V507 L530 L532 D535 L537 F554 L565	I504-F556 WeakPolarHBondContact CA-O 3.29Å; L505-F556 HydrophobicContact CB-CB 4.42Å; L505-F556 HydrophobicContact CD2-CD2 4.46Å; L505-F556 PolarHBondContact N-O 2.9Å; L505-F556 PolarHBondContact O-N 2.85Å; V507-F556 HydrophobicContact CG2-CD2 4.19Å; V507-F556 HydrophobicContact CG2-CE2 4.15Å; L530-F556 HydrophobicContact CB-CE2 4.41Å; L530-F556 HydrophobicContact CB-CZ 3.86Å; L530-F556 HydrophobicContact CD2-CE2 4.17Å; L530-F556 HydrophobicContact CD2-CZ 4.41Å; L532-F556 HydrophobicContact CB-CD1 3.93Å; L532-F556 HydrophobicContact CB-CE1 4.15Å; L532-F556 HydrophobicContact CB-CG 4.36Å; L532-F556 HydrophobicContact CD2-CB 3.69Å; L532-F556 HydrophobicContact CD2-CD1 4.37Å; L532-F556 HydrophobicContact CD2-CG 4.1Å; D535-F556 HydrophobicContact CB-CD1 3.78Å; D535-F556 HydrophobicContact CB-CE1 3.97Å; L537-F556 HydrophobicContact CB-CE1 4.49Å; L537-F556 HydrophobicContact CB-CZ 4.2Å; L537-F556 HydrophobicContact CD1-CD1 4.16Å; L537-F556 HydrophobicContact CD1-CE1 3.61Å; L537-F556 HydrophobicContact CD1-CE2 4.15Å; L537-F556 HydrophobicContact CD1-CZ 3.61Å; L537-F556 HydrophobicContact CG-CE1 3.83Å; L537-F556 HydrophobicContact CG-CZ 3.97Å; F554-F556 HydrophobicContact CB-CD2 4.42Å; F554-F556 HydrophobicContact CB-CE2 3.8Å; F554-F556 HydrophobicContact CB-CZ 4.5Å; F556-L565 HydrophobicContact CE2-CD1 4.39Å
557	P	80.2	Confident	85.7	Confident	9 Å²	9	18.5 Å²	18.5	6%	0.058	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	135.3	166	29.4	-32.5	0	0	0	110.2	A466 V467	A466-P557 HydrophobicContact CB-CB 4.08Å; V467-P557 HydrophobicContact CG2-CG 4.01Å
558	I	85.6	Confident	85.9	Confident	3 Å²	3	15 Å²	15	2%	0.015	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	110.7	177	-57.3	173.4	0	0	0	108.2	V502 G503 L505 D560 I561 L588 L620	V502-I558 HydrophobicContact CB-CG2 4.49Å; V502-I558 WeakPolarHBondContact CB-O 3.39Å; V502-I558 PolarHBondContact N-O 3.49Å; V502-I558 VanDerWaalsContact N-O 3.15Å; G503-I558 PolarHBondContact N-O 3.08Å; G503-I558 PolarHBondContact O-N 2.84Å; L505-I558 HydrophobicContact CB-CD1 4.06Å; L505-I558 HydrophobicContact CB-CG1 4.1Å; I558-D560 WeakPolarHBondContact CG2-O 3.38Å; I558-I561 HydrophobicContact CD1-CD1 4.36Å; I558-I561 HydrophobicContact CG2-CD1 4.32Å; I558-L588 HydrophobicContact CD1-CD1 4.28Å; I558-L588 HydrophobicContact CG1-CD1 4.27Å; I558-L588 HydrophobicContact CG2-CD1 3.94Å; I558-L620 HydrophobicContact CD1-CD1 3.13Å
559	K	82.8	Confident	86	Confident	23 Å²	23	15 Å²	15	10%	0.1	7%	0.073	C	C	.	.	S	Bend	trans	-84.5	-25.5	171.8	-52.5	-171.7	-164.2	-177.8	0	112.7	R630 E636	K559-R630 WeakPolarHBondContact O-CD 3.48Å; K559-R630 WeakPolarHBondContact O-CG 3.37Å; K559-R630 PolarHBondContact O-NE 3.2Å; K559-E636 WeakPolarHBondContact CD-OE1 3.38Å; K559-E636 WeakPolarHBondContact CD-OE2 3.3Å; K559-E636 IonicContact NZ-OE2 3.83Å; K559-E636 PolarHBondContact NZ-OE2 3.08Å
560	D	86	Confident	86.1	Confident	4 Å²	4	12 Å²	12	2%	0.021	6%	0.059	C	C	.	.			trans	-154	136.4	174.5	-157.8	-46.3	0	0	0	110.2	I558 H562 R630 R843	I558-D560 WeakPolarHBondContact CG2-O 3.38Å; D560-H562 PolarHBondContact O-N 2.86Å; D560-H562 IonicContact OD1-CE1 2.83Å; D560-H562 IonicContact OD1-CG 3.29Å; D560-H562 PolarHBondContact OD1-N 2.91Å; D560-H562 IonicContact OD1-ND1 2.91Å; D560-H562 PolarHBondContact OD1-ND1 2.94Å; D560-R630 HydrophobicContact CB-CG 4.4Å; D560-R843 IonicContact OD1-NE 2.72Å; D560-R843 IonicContact OD2-CZ 3.52Å; D560-R843 IonicContact OD2-NE 2.7Å; D560-R843 PolarHBondContact OD2-NE 3.35Å; D560-R843 IonicContact OD2-NH2 3.19Å; D560-R843 PolarHBondContact OD2-NH2 2.77Å
561	I	89.3	Confident	86.3	Confident	0 Å²	0	12 Å²	12	0%	0	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-9.9	179.6	-158.4	65	0	0	0	112.7	I558 L588 L589 L620 Y622 A627 F789	I558-I561 HydrophobicContact CD1-CD1 4.36Å; I558-I561 HydrophobicContact CG2-CD1 4.32Å; I561-L588 HydrophobicContact CD1-CB 4.08Å; I561-L588 HydrophobicContact CD1-CD1 4.34Å; I561-L589 HydrophobicContact CG1-CD2 3.63Å; I561-L589 HydrophobicContact CG1-CG 4.06Å; I561-L589 HydrophobicContact CG2-CD2 4.22Å; I561-L589 HydrophobicContact CG2-CG 4.48Å; I561-L620 HydrophobicContact CD1-CD1 3.88Å; I561-L620 HydrophobicContact CD1-CD2 4.21Å; I561-Y622 HydrophobicContact CB-CD2 4.49Å; I561-Y622 HydrophobicContact CD1-CD1 3.81Å; I561-Y622 HydrophobicContact CD1-CD2 3.84Å; I561-Y622 HydrophobicContact CD1-CE1 4.18Å; I561-Y622 HydrophobicContact CD1-CE2 4.2Å; I561-Y622 HydrophobicContact CD1-CG 3.62Å; I561-Y622 HydrophobicContact CG1-CD2 3.93Å; I561-Y622 HydrophobicContact CG1-CE2 3.92Å; I561-Y622 HydrophobicContact CG1-CG 4.24Å; I561-A627 HydrophobicContact CB-CB 4.26Å; I561-A627 HydrophobicContact CG2-CB 3.76Å; I561-F789 HydrophobicContact CG2-CE1 4.39Å
562	H	88.5	Confident	86.4	Confident	16 Å²	16	12.4 Å²	12.4	7%	0.074	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	8.7	178.9	-50.9	86.7	0	0	0	113.3	D560 T631 R635 F789 L790 R843	D560-H562 PolarHBondContact O-N 2.86Å; D560-H562 IonicContact OD1-CE1 2.83Å; D560-H562 IonicContact OD1-CG 3.29Å; D560-H562 PolarHBondContact OD1-N 2.91Å; D560-H562 IonicContact OD1-ND1 2.91Å; D560-H562 PolarHBondContact OD1-ND1 2.94Å; H562-T631 WeakPolarHBondContact CE1-CG2 3.34Å; H562-R635 PolarHBondContact O-NH2 2.85Å; H562-F789 AromaticContact CE1-CD1 3.95Å; H562-F789 AromaticContact CE1-CE1 3.74Å; H562-F789 AromaticContact NE2-CD1 3.46Å; H562-F789 WeakPolarHBondContact NE2-CD1 3.46Å; H562-F789 AromaticContact NE2-CE1 3.74Å; H562-L790 WeakPolarHBondContact NE2-CD2 3.4Å; H562-L790 WeakPolarHBondContact NE2-CG 3.44Å; H562-R843 HydrophobicContact CB-CB 3.78Å; H562-R843 HydrophobicContact CB-CG 3.94Å
563	D	89.5	Confident	86.5	Confident	20 Å²	20	12.8 Å²	12.8	11%	0.107	6%	0.063	C	C	.	.			trans	-77	170.7	165.2	-77.6	-38.6	0	0	0	111.7	L532 L588 R635	L532-D563 HydrophobicContact CD1-CB 4.31Å; D563-L588 PolarHBondContact O-N 3.08Å; D563-R635 IonicContact OD1-CZ 2.74Å; D563-R635 IonicContact OD1-NE 2.65Å; D563-R635 PolarHBondContact OD1-NE 3.05Å; D563-R635 IonicContact OD1-NH2 3.46Å; D563-R635 PolarHBondContact OD1-NH2 3.47Å
564	V	90.6	Very high	86.2	Confident	5 Å²	5	15.6 Å²	15.6	3%	0.03	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	125.4	-169.8	179.4	0	0	0	0	106.8	E566 A585 P587 Y853	V564-E566 HydrophobicContact CG1-CG 4.32Å; V564-E566 PolarHBondContact O-N 2.88Å; V564-A585 HydrophobicContact CG1-CB 3.87Å; V564-P587 HydrophobicContact CG2-CB 4.41Å; V564-P587 HydrophobicContact CG2-CG 4.41Å; V564-Y853 HydrophobicContact CB-CE1 4.47Å; V564-Y853 HydrophobicContact CG1-CD1 4.07Å; V564-Y853 HydrophobicContact CG1-CE1 3.85Å; V564-Y853 HydrophobicContact CG2-CE1 4.09Å; V564-Y853 HydrophobicContact CG2-CE2 4Å
565	L	91.9	Very high	85.5	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	113.9	171.8	178.8	70.4	0	0	0	108	L505 V507 L532 F556 V567 A585 I586 L588 L618	L505-L565 HydrophobicContact CD2-CD1 4.42Å; L505-L565 HydrophobicContact CD2-CD2 4.39Å; V507-L565 HydrophobicContact CG1-CD2 4.18Å; V507-L565 HydrophobicContact CG2-CD1 4.36Å; V507-L565 HydrophobicContact CG2-CD2 3.71Å; L532-L565 HydrophobicContact CB-CD1 4.31Å; L532-L565 HydrophobicContact CD1-CB 4.22Å; F556-L565 HydrophobicContact CE2-CD1 4.39Å; L565-V567 HydrophobicContact CD2-CG2 4.09Å; L565-V567 HydrophobicContact CG-CG2 3.95Å; L565-A585 WeakPolarHBondContact O-CA 3.45Å; L565-I586 PolarHBondContact N-O 3.47Å; L565-I586 PolarHBondContact O-N 3.26Å; L565-L588 HydrophobicContact CB-CD2 4.48Å; L565-L618 HydrophobicContact CD2-CD2 3.87Å
566	E	92	Very high	85.3	Confident	14 Å²	14	30.3 Å²	30.3	7%	0.065	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	115.4	176.4	-74.5	174.8	-143.1	0	0	108.8	E531 V564 K583 V584 A585 R638	E531-E566 HydrophobicContact CB-CB 4.37Å; E531-E566 PolarHBondContact N-O 2.96Å; E531-E566 PolarHBondContact O-N 2.77Å; V564-E566 HydrophobicContact CG1-CG 4.32Å; V564-E566 PolarHBondContact O-N 2.88Å; E566-K583 WeakPolarHBondContact OE2-CE 3.5Å; E566-K583 IonicContact OE2-NZ 3.45Å; E566-K583 PolarHBondContact OE2-NZ 3.25Å; E566-V584 WeakPolarHBondContact CA-O 3.46Å; E566-A585 HydrophobicContact CG-CB 3.98Å; E566-R638 IonicContact OE1-CZ 3Å; E566-R638 IonicContact OE1-NH1 3.26Å; E566-R638 PolarHBondContact OE1-NH1 2.99Å; E566-R638 IonicContact OE1-NH2 2.72Å; E566-R638 PolarHBondContact OE1-NH2 2.87Å; E566-R638 IonicContact OE2-NH1 2.68Å; E566-R638 PolarHBondContact OE2-NH1 2.78Å
567	V	92.4	Very high	85	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	115.7	177.6	-170.4	0	0	0	0	108.7	C528 L529 L530 L565 K583 V584 I614 L616	C528-V567 HydrophobicContact CB-CG1 4.42Å; L529-V567 CarbonylContact O-C 3.52Å; L529-V567 WeakPolarHBondContact O-CA 3.35Å; L530-V567 HydrophobicContact CD1-CG1 4.37Å; L530-V567 HydrophobicContact CG-CG1 4.19Å; L530-V567 HydrophobicContact CG-CG2 4.18Å; L565-V567 HydrophobicContact CD2-CG2 4.09Å; L565-V567 HydrophobicContact CG-CG2 3.95Å; V567-K583 CarbonylContact O-C 3.55Å; V567-K583 WeakPolarHBondContact O-CA 3.38Å; V567-V584 HydrophobicContact CB-CG1 3.83Å; V567-V584 HydrophobicContact CG2-CG1 4.41Å; V567-V584 PolarHBondContact N-O 3.01Å; V567-V584 PolarHBondContact O-N 3.41Å; V567-I614 HydrophobicContact CG1-CD1 3.82Å; V567-L616 HydrophobicContact CG2-CD1 4.03Å
568	T	91.4	Very high	85.2	Confident	6 Å²	6	36.9 Å²	36.9	4%	0.037	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	137.5	176.8	31	0	0	0	0	110.3	C528 L529 F570 F580 G582 K583	C528-T568 CarbonylContact C-O 3.59Å; C528-T568 WeakPolarHBondContact CA-O 3.34Å; L529-T568 WeakPolarHBondContact CB-OG1 3.22Å; L529-T568 PolarHBondContact N-O 2.84Å; L529-T568 PolarHBondContact O-N 2.89Å; L529-T568 PolarHBondContact O-OG1 2.8Å; T568-F570 VanDerWaalsContact CB-CE2 3.46Å; T568-F570 HydrophobicContact CG2-CE2 4.13Å; T568-F570 HydrophobicContact CG2-CZ 4.3Å; T568-F570 WeakPolarHBondContact OG1-CE2 3.36Å; T568-F580 HydrophobicContact CG2-CE2 4.23Å; T568-G582 CarbonylContact C-O 3.57Å; T568-G582 WeakPolarHBondContact CA-O 3.44Å; T568-K583 HydrophobicContact CG2-CB 3.93Å; T568-K583 HydrophobicContact CG2-CD 3.53Å; T568-K583 HydrophobicContact CG2-CG 3.51Å
569	V	92.1	Very high	85.3	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	130.1	169.5	-166.1	0	0	0	0	108	L515 P526 F527 W550 L581 G582 L601 I614	L515-V569 HydrophobicContact CD1-CG1 4.18Å; L515-V569 HydrophobicContact CD2-CG1 4.16Å; P526-V569 HydrophobicContact CB-CG1 4.23Å; F527-V569 WeakPolarHBondContact O-CA 3.48Å; W550-V569 HydrophobicContact CH2-CG1 4.4Å; V569-L581 HydrophobicContact CB-CB 4.15Å; V569-L581 HydrophobicContact CG1-CB 4.03Å; V569-L581 HydrophobicContact CG1-CD1 4.32Å; V569-L581 WeakPolarHBondContact O-CA 3.41Å; V569-L581 PolarHBondContact O-N 2.78Å; V569-G582 PolarHBondContact N-O 2.8Å; V569-G582 PolarHBondContact O-N 3.09Å; V569-L601 HydrophobicContact CB-CD1 4.44Å; V569-L601 HydrophobicContact CG2-CD1 3.89Å; V569-L601 HydrophobicContact CG2-CD2 3.88Å; V569-I614 HydrophobicContact CG2-CD1 4.24Å
570	F	90.3	Very high	85.6	Confident	41 Å²	41	40.7 Å²	40.7	18%	0.18	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	157.5	-177.3	-74.5	-74.9	0	0	0	110.7	P526 F527 L529 T568 P578 D579 F580	P526-F570 CarbonylContact C-O 3.54Å; P526-F570 VanDerWaalsContact CA-O 3.24Å; P526-F570 WeakPolarHBondContact CA-O 3.37Å; F527-F570 HydrophobicContact CD1-CB 4.05Å; F527-F570 HydrophobicContact CD2-CB 4.44Å; F527-F570 HydrophobicContact CE1-CB 3.46Å; F527-F570 VanDerWaalsContact CE1-CB 3.46Å; F527-F570 HydrophobicContact CE2-CB 3.92Å; F527-F570 HydrophobicContact CE2-CD2 4.14Å; F527-F570 HydrophobicContact CE2-CG 4.42Å; F527-F570 HydrophobicContact CZ-CB 3.39Å; F527-F570 HydrophobicContact CZ-CD2 4.21Å; F527-F570 HydrophobicContact CZ-CG 4.07Å; F527-F570 PolarHBondContact N-O 2.91Å; F527-F570 PolarHBondContact O-N 2.81Å; L529-F570 HydrophobicContact CB-CD2 4.24Å; L529-F570 HydrophobicContact CB-CE2 4.22Å; L529-F570 HydrophobicContact CD2-CE2 3.99Å; T568-F570 VanDerWaalsContact CB-CE2 3.46Å; T568-F570 HydrophobicContact CG2-CE2 4.13Å; T568-F570 HydrophobicContact CG2-CZ 4.3Å; T568-F570 WeakPolarHBondContact OG1-CE2 3.36Å; F570-P578 HydrophobicContact CB-CB 4.27Å; F570-P578 HydrophobicContact CD1-CB 4.45Å; F570-P578 HydrophobicContact CD1-CG 4.47Å; F570-D579 CarbonylContact C-O 3.6Å; F570-D579 VanDerWaalsContact CA-O 3.28Å; F570-D579 WeakPolarHBondContact CA-O 3.31Å; F570-D579 WeakPolarHBondContact CD1-O 3.38Å; F570-F580 HydrophobicContact CE1-CB 4.46Å; F570-F580 HydrophobicContact CE1-CD2 4.08Å
571	D	88.4	Confident	85.6	Confident	6 Å²	6	40.6 Å²	40.6	3%	0.032	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	137.2	174	-139.2	-29.1	0	0	0	110.1	A518 S524 D525 D573 P578 D579 L581	A518-D571 WeakPolarHBondContact CB-OD2 3.3Å; S524-D571 WeakPolarHBondContact CB-OD2 3.39Å; S524-D571 PolarHBondContact OG-OD2 3.01Å; D525-D571 WeakPolarHBondContact CA-OD1 3.33Å; D525-D571 PolarHBondContact N-OD1 3.36Å; D571-D573 PolarHBondContact O-N 2.88Å; D571-P578 CarbonylContact O-C 3.53Å; D571-P578 WeakPolarHBondContact O-CA 3.03Å; D571-P578 WeakPolarHBondContact O-CB 3.5Å; D571-D579 HydrophobicContact CB-CB 4.25Å; D571-D579 PolarHBondContact N-O 2.89Å; D571-D579 PolarHBondContact O-N 2.55Å; D571-L581 HydrophobicContact CB-CD1 3.92Å; D571-L581 HydrophobicContact CB-CD2 4.25Å; D571-L581 HydrophobicContact CB-CG 4.05Å
572	E	84.9	Confident	85.7	Confident	73 Å²	73	40.6 Å²	40.6	34%	0.341	23%	0.234	S	C	.	.			trans	-97.4	78.7	-179.4	-163.8	-179.4	-162.3	0	0	112.8	D525 F527 T541 Y543 G574	D525-E572 PolarHBondContact O-N 3.39Å; D525-E572 VanDerWaalsContact O-N 3.11Å; F527-E572 HydrophobicContact CD1-CB 4.12Å; F527-E572 HydrophobicContact CE1-CB 4.13Å; T541-E572 VanDerWaalsContact CB-OE2 3.25Å; T541-E572 WeakPolarHBondContact CB-OE2 3.46Å; T541-E572 HydrophobicContact CG2-CB 3.7Å; T541-E572 VanDerWaalsContact CG2-OE2 3.29Å; T541-E572 WeakPolarHBondContact CG2-OE2 3.4Å; T541-E572 PolarHBondContact OG1-OE2 2.94Å; Y543-E572 PolarHBondContact OH-OE2 2.89Å; E572-G574 PolarHBondContact O-N 3.04Å
573	D	78.9	Confident	85.9	Confident	47 Å²	47	41.3 Å²	41.3	25%	0.251	24%	0.237	S	C	.	.			trans	-61.6	14.2	174.5	-78.7	-97.5	0	0	0	116.6	D571 D575 K576	D571-D573 PolarHBondContact O-N 2.88Å; D573-D575 PolarHBondContact O-N 2.82Å; D573-K576 HydrophobicContact CB-CB 3.75Å; D573-K576 HydrophobicContact CB-CD 4.02Å; D573-K576 HydrophobicContact CB-CG 4.08Å; D573-K576 IonicContact OD1-NZ 2.68Å; D573-K576 PolarHBondContact OD1-NZ 2.7Å
574	G	73.5	Confident	86	Confident	59 Å²	59	40.8 Å²	40.8	61%	0.608	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.5	-97	-179.1	0	0	0	0	0	113.6	E572	E572-G574 PolarHBondContact O-N 3.04Å
575	D	67.1	Low	86.1	Confident	179 Å²	179	40.8 Å²	40.8	96%	0.957	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-8.3	-176.1	-73.6	-39.7	0	0	0	113.9	D573	D573-D575 PolarHBondContact O-N 2.82Å
576	K	74.8	Confident	86	Confident	131 Å²	131	41 Å²	41	57%	0.57	24%	0.236	S	C	*	.	S	Bend	trans	-89.5	165.9	174.9	-49.5	-177.5	-153.9	141.8	0	111.5	D573	D573-K576 HydrophobicContact CB-CB 3.75Å; D573-K576 HydrophobicContact CB-CD 4.02Å; D573-K576 HydrophobicContact CB-CG 4.08Å; D573-K576 IonicContact OD1-NZ 2.68Å; D573-K576 PolarHBondContact OD1-NZ 2.7Å
577	A	75.6	Confident	86	Confident	86 Å²	86	41.7 Å²	41.7	71%	0.711	24%	0.242	S	C	*	.	P	Polyproline II helix	trans	-63.5	135.4	162	0	0	0	0	0	109.5
578	P	83.8	Confident	85.9	Confident	61 Å²	61	41.8 Å²	41.8	40%	0.396	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-67.9	132.3	-170.5	26.6	-35.7	0	0	0	112.3	F527 F570 D571	F527-P578 HydrophobicContact CE1-CB 4Å; F527-P578 HydrophobicContact CZ-CB 4.05Å; F527-P578 HydrophobicContact CZ-CG 4.25Å; F570-P578 HydrophobicContact CB-CB 4.27Å; F570-P578 HydrophobicContact CD1-CB 4.45Å; F570-P578 HydrophobicContact CD1-CG 4.47Å; D571-P578 CarbonylContact O-C 3.53Å; D571-P578 WeakPolarHBondContact O-CA 3.03Å; D571-P578 WeakPolarHBondContact O-CB 3.5Å
579	D	86.8	Confident	85.7	Confident	86 Å²	86	44.5 Å²	44.5	46%	0.46	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-75.1	153.7	-177.8	-114.3	-24.2	0	0	0	112.6	A518 F570 D571	A518-D579 HydrophobicContact CB-CB 4.48Å; F570-D579 CarbonylContact C-O 3.6Å; F570-D579 VanDerWaalsContact CA-O 3.28Å; F570-D579 WeakPolarHBondContact CA-O 3.31Å; F570-D579 WeakPolarHBondContact CD1-O 3.38Å; D571-D579 HydrophobicContact CB-CB 4.25Å; D571-D579 PolarHBondContact N-O 2.89Å; D571-D579 PolarHBondContact O-N 2.55Å
580	F	89.4	Confident	85.3	Confident	21 Å²	21	47 Å²	47	9%	0.092	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	117.6	-168.7	174.7	-91.5	0	0	0	112.3	T568 F570 G582 K583 K604	T568-F580 HydrophobicContact CG2-CE2 4.23Å; F570-F580 HydrophobicContact CE1-CB 4.46Å; F570-F580 HydrophobicContact CE1-CD2 4.08Å; F580-G582 WeakPolarHBondContact CE2-O 3.44Å; F580-K583 HydrophobicContact CE2-CB 3.94Å; F580-K583 HydrophobicContact CZ-CB 3.78Å; F580-K604 HydrophobicContact CD1-CD 4.31Å; F580-K604 HydrophobicContact CD1-CG 3.63Å; F580-K604 HydrophobicContact CD2-CD 4.47Å; F580-K604 HydrophobicContact CD2-CG 3.9Å; F580-K604 HydrophobicContact CE1-CB 4.46Å; F580-K604 HydrophobicContact CE1-CG 3.56Å; F580-K604 HydrophobicContact CE2-CG 3.81Å; F580-K604 HydrophobicContact CG-CD 4.2Å; F580-K604 HydrophobicContact CG-CG 3.8Å; F580-K604 HydrophobicContact CZ-CB 4.31Å; F580-K604 HydrophobicContact CZ-CG 3.63Å
581	L	87.3	Confident	85.1	Confident	1 Å²	1	46 Å²	46	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-13.1	-178.7	-57.1	-179.8	0	0	0	113.6	L515 L516 A518 P526 V569 D571 F610	L515-L581 HydrophobicContact CD1-CD1 4.5Å; L516-L581 HydrophobicContact CB-CD2 4.25Å; A518-L581 HydrophobicContact CB-CD2 4.21Å; P526-L581 HydrophobicContact CB-CD1 3.91Å; V569-L581 HydrophobicContact CB-CB 4.15Å; V569-L581 HydrophobicContact CG1-CB 4.03Å; V569-L581 HydrophobicContact CG1-CD1 4.32Å; V569-L581 WeakPolarHBondContact O-CA 3.41Å; V569-L581 PolarHBondContact O-N 2.78Å; D571-L581 HydrophobicContact CB-CD1 3.92Å; D571-L581 HydrophobicContact CB-CD2 4.25Å; D571-L581 HydrophobicContact CB-CG 4.05Å; L581-F610 WeakPolarHBondContact O-CD1 3.4Å; L581-F610 VanDerWaalsContact O-CE1 3.28Å; L581-F610 WeakPolarHBondContact O-CE1 3.36Å
582	G	90.1	Very high	84.6	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155.1	170.7	170.2	0	0	0	0	0	114.8	T568 V569 F580	T568-G582 CarbonylContact C-O 3.57Å; T568-G582 WeakPolarHBondContact CA-O 3.44Å; V569-G582 PolarHBondContact N-O 2.8Å; V569-G582 PolarHBondContact O-N 3.09Å; F580-G582 WeakPolarHBondContact CE2-O 3.44Å
583	K	92.1	Very high	84.3	Confident	32 Å²	32	54 Å²	54	14%	0.139	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	143.1	175.3	-167	170.5	-175.2	168.5	0	112.6	E566 V567 T568 F580 K602 L606	E566-K583 WeakPolarHBondContact OE2-CE 3.5Å; E566-K583 IonicContact OE2-NZ 3.45Å; E566-K583 PolarHBondContact OE2-NZ 3.25Å; V567-K583 CarbonylContact O-C 3.55Å; V567-K583 WeakPolarHBondContact O-CA 3.38Å; T568-K583 HydrophobicContact CG2-CB 3.93Å; T568-K583 HydrophobicContact CG2-CD 3.53Å; T568-K583 HydrophobicContact CG2-CG 3.51Å; F580-K583 HydrophobicContact CE2-CB 3.94Å; F580-K583 HydrophobicContact CZ-CB 3.78Å; K583-K602 PolarHBondContact N-O 3.14Å; K583-K602 WeakPolarHBondContact O-CA 3.14Å; K583-K602 WeakPolarHBondContact O-CB 3.36Å; K583-K602 PolarHBondContact O-N 3.06Å; K583-L606 HydrophobicContact CB-CD2 3.98Å; K583-L606 HydrophobicContact CD-CD2 4.16Å; K583-L606 HydrophobicContact CD-CG 4.44Å; K583-L606 HydrophobicContact CG-CD2 3.87Å
584	V	92.5	Very high	84	Confident	8 Å²	8	53.6 Å²	53.6	5%	0.048	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	151.8	163.4	63.7	0	0	0	0	109.5	E566 V567 I586 Y599 I614	E566-V584 WeakPolarHBondContact CA-O 3.46Å; V567-V584 HydrophobicContact CB-CG1 3.83Å; V567-V584 HydrophobicContact CG2-CG1 4.41Å; V567-V584 PolarHBondContact N-O 3.01Å; V567-V584 PolarHBondContact O-N 3.41Å; V584-I586 HydrophobicContact CG1-CD1 4.32Å; V584-I586 HydrophobicContact CG1-CG1 4.49Å; V584-I586 HydrophobicContact CG2-CD1 4.27Å; V584-I586 HydrophobicContact CG2-CG1 3.84Å; V584-Y599 HydrophobicContact CG2-CD1 4.24Å; V584-Y599 HydrophobicContact CG2-CG 4.21Å; V584-I614 HydrophobicContact CG1-CG2 4.09Å
585	A	92	Very high	84.3	Confident	5 Å²	5	56 Å²	56	4%	0.041	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	114.3	177.5	0	0	0	0	0	109.2	V564 L565 E566 L606 Y853	V564-A585 HydrophobicContact CG1-CB 3.87Å; L565-A585 WeakPolarHBondContact O-CA 3.45Å; E566-A585 HydrophobicContact CG-CB 3.98Å; A585-L606 HydrophobicContact CB-CD1 3.64Å; A585-L606 HydrophobicContact CB-CD2 4.21Å; A585-Y853 HydrophobicContact CB-CD1 3.82Å; A585-Y853 HydrophobicContact CB-CE1 4.09Å
586	I	91	Very high	85.1	Confident	4 Å²	4	51.5 Å²	51.5	2%	0.021	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	107.4	-168.7	-52.9	173.1	0	0	0	108.9	L565 V584 I591 Y599 L616 L618	L565-I586 PolarHBondContact N-O 3.47Å; L565-I586 PolarHBondContact O-N 3.26Å; V584-I586 HydrophobicContact CG1-CD1 4.32Å; V584-I586 HydrophobicContact CG1-CG1 4.49Å; V584-I586 HydrophobicContact CG2-CD1 4.27Å; V584-I586 HydrophobicContact CG2-CG1 3.84Å; I586-I591 HydrophobicContact CG2-CG1 4.2Å; I586-Y599 HydrophobicContact CD1-CD1 4.2Å; I586-Y599 HydrophobicContact CD1-CD2 3.92Å; I586-Y599 HydrophobicContact CD1-CE1 3.96Å; I586-Y599 HydrophobicContact CD1-CE2 3.64Å; I586-Y599 HydrophobicContact CD1-CG 4.19Å; I586-Y599 HydrophobicContact CG1-CD1 4.45Å; I586-Y599 HydrophobicContact CG1-CE1 4.23Å; I586-L616 HydrophobicContact CD1-CD1 3.86Å; I586-L618 HydrophobicContact CD1-CD1 4.16Å; I586-L618 HydrophobicContact CG2-CD1 4.15Å
587	P	91.3	Very high	85.8	Confident	30 Å²	30	46.9 Å²	46.9	20%	0.195	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	135.4	174.3	-22.8	33.4	0	0	0	111.5	V564 L589 S590 Y853	V564-P587 HydrophobicContact CG2-CB 4.41Å; V564-P587 HydrophobicContact CG2-CG 4.41Å; P587-L589 VanDerWaalsContact C-N 3.27Å; P587-L589 PolarHBondContact O-N 3.42Å; P587-S590 WeakPolarHBondContact CD-OG 3.36Å; P587-S590 PolarHBondContact O-N 2.76Å; P587-S590 PolarHBondContact O-OG 3.33Å; P587-Y853 HydrophobicContact CG-CD2 3.82Å; P587-Y853 HydrophobicContact CG-CG 3.75Å
588	L	90	Very high	86.4	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.005	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-58.4	-40.2	-177.5	-58.9	-176.9	0	0	0	112.1	L505 L532 I558 I561 D563 L565 S590 I591 L620	L505-L588 HydrophobicContact CD1-CD2 4.35Å; L505-L588 HydrophobicContact CD2-CD2 3.72Å; L532-L588 HydrophobicContact CD1-CD1 4.23Å; L532-L588 HydrophobicContact CD1-CD2 3.95Å; L532-L588 HydrophobicContact CD1-CG 4.31Å; I558-L588 HydrophobicContact CD1-CD1 4.28Å; I558-L588 HydrophobicContact CG1-CD1 4.27Å; I558-L588 HydrophobicContact CG2-CD1 3.94Å; I561-L588 HydrophobicContact CD1-CB 4.08Å; I561-L588 HydrophobicContact CD1-CD1 4.34Å; D563-L588 PolarHBondContact O-N 3.08Å; L565-L588 HydrophobicContact CB-CD2 4.48Å; L588-S590 PolarHBondContact O-N 3.01Å; L588-I591 HydrophobicContact CD2-CD1 3.79Å; L588-I591 WeakPolarHBondContact O-CB 3.44Å; L588-I591 WeakPolarHBondContact O-CG1 3.38Å; L588-I591 PolarHBondContact O-N 3.31Å; L588-I591 VanDerWaalsContact O-N 3.08Å; L588-L620 HydrophobicContact CB-CD2 4.29Å; L588-L620 WeakPolarHBondContact O-CD2 3.34Å
589	L	87.2	Confident	86.7	Confident	64 Å²	64	42.6 Å²	42.6	34%	0.335	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-64.3	-2.2	175.4	-68.1	172.8	0	0	0	115.6	I561 P587 V787 F789	I561-L589 HydrophobicContact CG1-CD2 3.63Å; I561-L589 HydrophobicContact CG1-CG 4.06Å; I561-L589 HydrophobicContact CG2-CD2 4.22Å; I561-L589 HydrophobicContact CG2-CG 4.48Å; P587-L589 VanDerWaalsContact C-N 3.27Å; P587-L589 PolarHBondContact O-N 3.42Å; L589-V787 HydrophobicContact CD1-CG1 3.76Å; L589-F789 HydrophobicContact CD1-CB 4.31Å; L589-F789 HydrophobicContact CD2-CB 4.49Å
590	S	85.3	Confident	87	Confident	52 Å²	52	39.7 Å²	39.7	36%	0.364	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-108.2	-1.7	174.4	64.3	0	0	0	0	114.1	P587 L588	P587-S590 WeakPolarHBondContact CD-OG 3.36Å; P587-S590 PolarHBondContact O-N 2.76Å; P587-S590 PolarHBondContact O-OG 3.33Å; L588-S590 PolarHBondContact O-N 3.01Å
591	I	85.9	Confident	87	Confident	20 Å²	20	38.7 Å²	38.7	10%	0.103	21%	0.213	C	C	.	.			trans	-65.9	148.4	178.7	-67.1	-179.4	0	0	0	110.7	L505 I586 L588 L618 L620	L505-I591 HydrophobicContact CD1-CD1 3.57Å; I586-I591 HydrophobicContact CG2-CG1 4.2Å; L588-I591 HydrophobicContact CD2-CD1 3.79Å; L588-I591 WeakPolarHBondContact O-CB 3.44Å; L588-I591 WeakPolarHBondContact O-CG1 3.38Å; L588-I591 PolarHBondContact O-N 3.31Å; L588-I591 VanDerWaalsContact O-N 3.08Å; I591-L618 HydrophobicContact CD1-CB 4.31Å; I591-L618 HydrophobicContact CD1-CD1 4.08Å; I591-L618 HydrophobicContact CG1-CB 4.45Å; I591-L618 HydrophobicContact CG1-CD1 3.94Å; I591-L618 HydrophobicContact CG2-CB 3.59Å; I591-L618 HydrophobicContact CG2-CD1 4.5Å; I591-L620 HydrophobicContact CB-CD2 4.06Å; I591-L620 HydrophobicContact CD1-CD2 4.4Å; I591-L620 HydrophobicContact CG2-CB 4.03Å; I591-L620 HydrophobicContact CG2-CD2 4.45Å
592	R	76.4	Confident	87.2	Confident	157 Å²	157	39 Å²	39	59%	0.592	21%	0.214	S	C	*	.			trans	-121.8	118.2	171.9	-58.2	-178.4	-174.6	-155.4	1.4	107.9	G594	R592-G594 PolarHBondContact O-N 3.01Å
593	D	79	Confident	87	Confident	90 Å²	90	41.6 Å²	41.6	48%	0.481	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	130.7	-167.9	-55.4	-56.8	0	0	0	112.8	Q595 L618 L620	D593-Q595 VanDerWaalsContact C-N 3.3Å; D593-Q595 PolarHBondContact O-N 3.34Å; D593-L618 CarbonylContact C-O 3.52Å; D593-L618 WeakPolarHBondContact CA-O 3.28Å; D593-L620 WeakPolarHBondContact OD1-CB 3.14Å; D593-L620 PolarHBondContact OD1-N 2.8Å
594	G	72.4	Confident	86.6	Confident	38 Å²	38	46.1 Å²	46.1	39%	0.392	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	15.1	170	0	0	0	0	0	115.8	R592 L618	R592-G594 PolarHBondContact O-N 3.01Å; G594-L618 PolarHBondContact N-O 3.24Å
595	Q	80.8	Confident	85.8	Confident	110 Å²	110	50.7 Å²	50.7	51%	0.514	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	131.6	174.8	-66.7	-163.6	-25.5	0	0	112.2	D593 N597	D593-Q595 VanDerWaalsContact C-N 3.3Å; D593-Q595 PolarHBondContact O-N 3.34Å; Q595-N597 PolarHBondContact O-N 2.98Å
596	P	84.4	Confident	85.3	Confident	84 Å²	84	51 Å²	51	55%	0.545	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	105.2	176.3	30	-33.5	0	0	0	110.2	L510	L510-P596 HydrophobicContact CD1-CB 3.94Å
597	N	88.1	Confident	84.6	Confident	34 Å²	34	54.3 Å²	54.3	18%	0.182	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	145.6	-179.6	-68.2	-35.8	0	0	0	111.2	Q595 Y599 Y615 L616	Q595-N597 PolarHBondContact O-N 2.98Å; N597-Y599 HydrophobicContact CB-CD2 4.29Å; N597-Y599 HydrophobicContact CB-CE1 4.48Å; N597-Y599 HydrophobicContact CB-CE2 3.46Å; N597-Y599 VanDerWaalsContact CB-CE2 3.46Å; N597-Y599 WeakPolarHBondContact CB-OH 3.5Å; N597-Y599 PolarHBondContact ND2-OH 3.2Å; N597-Y615 WeakPolarHBondContact O-CA 3.34Å; N597-L616 PolarHBondContact N-O 3.31Å; N597-L616 PolarHBondContact O-N 3.37Å
598	C	89.2	Confident	84	Confident	44 Å²	44	58.9 Å²	58.9	30%	0.297	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	119	175.1	-179.7	0	0	0	0	109.9	Y615	C598-Y615 HydrophobicContact CB-CD1 3.9Å; C598-Y615 HydrophobicContact CB-CE1 3.71Å
599	Y	90.4	Very high	83.6	Confident	14 Å²	14	62 Å²	62	6%	0.055	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	135.5	-178.2	-61.4	-82	0	0	0	111.5	V584 I586 N597 L613 I614 L616 L618	V584-Y599 HydrophobicContact CG2-CD1 4.24Å; V584-Y599 HydrophobicContact CG2-CG 4.21Å; I586-Y599 HydrophobicContact CD1-CD1 4.2Å; I586-Y599 HydrophobicContact CD1-CD2 3.92Å; I586-Y599 HydrophobicContact CD1-CE1 3.96Å; I586-Y599 HydrophobicContact CD1-CE2 3.64Å; I586-Y599 HydrophobicContact CD1-CG 4.19Å; I586-Y599 HydrophobicContact CG1-CD1 4.45Å; I586-Y599 HydrophobicContact CG1-CE1 4.23Å; N597-Y599 HydrophobicContact CB-CD2 4.29Å; N597-Y599 HydrophobicContact CB-CE1 4.48Å; N597-Y599 HydrophobicContact CB-CE2 3.46Å; N597-Y599 VanDerWaalsContact CB-CE2 3.46Å; N597-Y599 WeakPolarHBondContact CB-OH 3.5Å; N597-Y599 PolarHBondContact ND2-OH 3.2Å; Y599-L613 CarbonylContact O-C 3.53Å; Y599-L613 WeakPolarHBondContact O-CA 3.16Å; Y599-I614 PolarHBondContact N-O 2.83Å; Y599-I614 PolarHBondContact O-N 3.27Å; Y599-L616 HydrophobicContact CD2-CB 4.31Å; Y599-L616 HydrophobicContact CD2-CD1 4.09Å; Y599-L616 HydrophobicContact CD2-CG 4.36Å; Y599-L616 HydrophobicContact CE2-CB 4.14Å; Y599-L616 HydrophobicContact CE2-CD1 4.34Å; Y599-L618 HydrophobicContact CE2-CD1 4.49Å
600	V	91.9	Very high	83.4	Confident	25 Å²	25	61.5 Å²	61.5	15%	0.152	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	127.3	172.4	-176.9	0	0	0	0	109.3	A609 L613 L856 L858	V600-A609 HydrophobicContact CG1-CB 4.43Å; V600-L613 HydrophobicContact CB-CD2 4.33Å; V600-L613 HydrophobicContact CG2-CD2 3.83Å; V600-L856 HydrophobicContact CB-CB 4.21Å; V600-L856 HydrophobicContact CG2-CB 4.43Å; V600-L856 VanDerWaalsContact CG2-O 3.3Å; V600-L856 WeakPolarHBondContact CG2-O 3.38Å; V600-L858 HydrophobicContact CG2-CD2 4.48Å; V600-L858 HydrophobicContact CG2-CG 4.47Å
601	L	90.8	Very high	83.3	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	147.1	175.8	-64.3	177.8	0	0	0	110.9	L515 V569 F610 G612 I614	L515-L601 HydrophobicContact CD2-CD1 3.57Å; V569-L601 HydrophobicContact CB-CD1 4.44Å; V569-L601 HydrophobicContact CG2-CD1 3.89Å; V569-L601 HydrophobicContact CG2-CD2 3.88Å; L601-F610 PolarHBondContact O-N 3.48Å; L601-G612 WeakPolarHBondContact CB-O 3.35Å; L601-G612 PolarHBondContact N-O 2.85Å; L601-I614 HydrophobicContact CD2-CB 4.18Å; L601-I614 HydrophobicContact CD2-CG2 3.81Å
602	K	90.3	Very high	83.4	Confident	8 Å²	8	63.1 Å²	63.1	4%	0.035	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	164.2	177.5	-56.4	-170	-174.1	179.5	0	111.5	K583 L606 Q608 V851 Q852 A854 L856	K583-K602 PolarHBondContact N-O 3.14Å; K583-K602 WeakPolarHBondContact O-CA 3.14Å; K583-K602 WeakPolarHBondContact O-CB 3.36Å; K583-K602 PolarHBondContact O-N 3.06Å; K602-L606 HydrophobicContact CB-CD2 4.07Å; K602-L606 HydrophobicContact CD-CB 4.4Å; K602-L606 HydrophobicContact CD-CD2 4.3Å; K602-L606 VanDerWaalsContact CD-O 3.23Å; K602-L606 WeakPolarHBondContact CD-O 3.33Å; K602-Q608 CarbonylContact C-O 3.5Å; K602-Q608 WeakPolarHBondContact CA-O 3.42Å; K602-Q608 VanDerWaalsContact CB-O 3.28Å; K602-Q608 WeakPolarHBondContact CB-O 3.48Å; K602-V851 PolarHBondContact NZ-O 3.15Å; K602-V851 VanDerWaalsContact NZ-O 3.11Å; K602-Q852 PolarHBondContact NZ-O 3.31Å; K602-A854 WeakPolarHBondContact CE-O 3.35Å; K602-A854 PolarHBondContact NZ-O 3.2Å; K602-L856 HydrophobicContact CD-CD1 4.27Å; K602-L856 HydrophobicContact CG-CD1 4.12Å
603	N	86.1	Confident	84.1	Confident	54 Å²	54	56.9 Å²	56.9	29%	0.289	31%	0.308	S	S	.	.			trans	-68.2	170.3	174.3	-160.1	-4.9	0	0	0	111.3	D605 L606 Q608 F610	N603-D605 VanDerWaalsContact C-N 3.26Å; N603-D605 PolarHBondContact O-N 2.88Å; N603-D605 VanDerWaalsContact O-N 3.14Å; N603-L606 WeakPolarHBondContact O-CA 3.43Å; N603-L606 PolarHBondContact O-N 2.78Å; N603-Q608 PolarHBondContact N-O 3.35Å; N603-F610 HydrophobicContact CB-CD2 4.26Å
604	K	82.9	Confident	84.8	Confident	126 Å²	126	52.6 Å²	52.6	55%	0.548	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-40.5	-175.2	-66.8	-175.2	177.3	-179	0	113.6	F580 L606	F580-K604 HydrophobicContact CD1-CD 4.31Å; F580-K604 HydrophobicContact CD1-CG 3.63Å; F580-K604 HydrophobicContact CD2-CD 4.47Å; F580-K604 HydrophobicContact CD2-CG 3.9Å; F580-K604 HydrophobicContact CE1-CB 4.46Å; F580-K604 HydrophobicContact CE1-CG 3.56Å; F580-K604 HydrophobicContact CE2-CG 3.81Å; F580-K604 HydrophobicContact CG-CD 4.2Å; F580-K604 HydrophobicContact CG-CG 3.8Å; F580-K604 HydrophobicContact CZ-CB 4.31Å; F580-K604 HydrophobicContact CZ-CG 3.63Å; K604-L606 VanDerWaalsContact C-N 3.27Å; K604-L606 PolarHBondContact O-N 2.86Å
605	D	77.5	Confident	85.8	Confident	104 Å²	104	54.4 Å²	54.4	56%	0.556	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-2.3	179.4	-52.6	-68.5	0	0	0	114.5	N603 E607 Q852	N603-D605 VanDerWaalsContact C-N 3.26Å; N603-D605 PolarHBondContact O-N 2.88Å; N603-D605 VanDerWaalsContact O-N 3.14Å; D605-E607 HydrophobicContact CB-CG 4.16Å; D605-E607 PolarHBondContact O-N 3.19Å; D605-E607 VanDerWaalsContact O-N 3.1Å; D605-Q852 PolarHBondContact O-NE2 2.57Å
606	L	80.8	Confident	86.3	Confident	11 Å²	11	49.2 Å²	49.2	6%	0.058	26%	0.256	C	S	.	.	S	Bend	trans	59.9	9.5	-175.4	-62.4	166.5	0	0	0	115.5	K583 A585 K602 N603 K604 Q852	K583-L606 HydrophobicContact CB-CD2 3.98Å; K583-L606 HydrophobicContact CD-CD2 4.16Å; K583-L606 HydrophobicContact CD-CG 4.44Å; K583-L606 HydrophobicContact CG-CD2 3.87Å; A585-L606 HydrophobicContact CB-CD1 3.64Å; A585-L606 HydrophobicContact CB-CD2 4.21Å; K602-L606 HydrophobicContact CB-CD2 4.07Å; K602-L606 HydrophobicContact CD-CB 4.4Å; K602-L606 HydrophobicContact CD-CD2 4.3Å; K602-L606 VanDerWaalsContact CD-O 3.23Å; K602-L606 WeakPolarHBondContact CD-O 3.33Å; N603-L606 WeakPolarHBondContact O-CA 3.43Å; N603-L606 PolarHBondContact O-N 2.78Å; K604-L606 VanDerWaalsContact C-N 3.27Å; K604-L606 PolarHBondContact O-N 2.86Å; L606-Q852 HydrophobicContact CB-CB 3.67Å; L606-Q852 HydrophobicContact CB-CG 3.77Å; L606-Q852 HydrophobicContact CD1-CB 4.12Å
607	E	76.3	Confident	86.7	Confident	74 Å²	74	46.8 Å²	46.8	35%	0.346	24%	0.237	S	C	.	.	S	Bend	trans	-81	-27.7	-178.5	-61.3	-168.6	169.5	0	0	114.3	D605 R653	D605-E607 HydrophobicContact CB-CG 4.16Å; D605-E607 PolarHBondContact O-N 3.19Å; D605-E607 VanDerWaalsContact O-N 3.1Å; E607-R653 IonicContact OE1-CZ 2.76Å; E607-R653 IonicContact OE1-NH1 2.64Å; E607-R653 PolarHBondContact OE1-NH1 3.08Å; E607-R653 IonicContact OE1-NH2 3.96Å; E607-R653 IonicContact OE2-NH1 3.64Å
608	Q	78.9	Confident	86.8	Confident	127 Å²	127	45.2 Å²	45.2	59%	0.593	23%	0.229	S	C	*	.	S	Bend	trans	-132.4	148	-170.5	-66.5	-177.8	-9.8	0	0	111.8	K602 N603	K602-Q608 CarbonylContact C-O 3.5Å; K602-Q608 WeakPolarHBondContact CA-O 3.42Å; K602-Q608 VanDerWaalsContact CB-O 3.28Å; K602-Q608 WeakPolarHBondContact CB-O 3.48Å; N603-Q608 PolarHBondContact N-O 3.35Å
609	A	81.8	Confident	86.8	Confident	65 Å²	65	43.5 Å²	43.5	54%	0.537	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	143.2	169.3	0	0	0	0	0	111.1	V600 L856	V600-A609 HydrophobicContact CG1-CB 4.43Å; A609-L856 HydrophobicContact CB-CD1 3.87Å
610	F	82.9	Confident	86.7	Confident	54 Å²	54	43.8 Å²	43.8	24%	0.237	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	169.4	172.3	-158.3	-100.1	0	0	0	109.2	L516 L581 L601 N603 G612	L516-F610 HydrophobicContact CB-CE1 4.01Å; L516-F610 HydrophobicContact CD2-CE1 4.24Å; L516-F610 HydrophobicContact CD2-CZ 4.09Å; L516-F610 HydrophobicContact CG-CE1 4.49Å; L581-F610 WeakPolarHBondContact O-CD1 3.4Å; L581-F610 VanDerWaalsContact O-CE1 3.28Å; L581-F610 WeakPolarHBondContact O-CE1 3.36Å; L601-F610 PolarHBondContact O-N 3.48Å; N603-F610 HydrophobicContact CB-CD2 4.26Å; F610-G612 PolarHBondContact O-N 3.15Å
611	K	83.3	Confident	86.6	Confident	100 Å²	100	43.8 Å²	43.8	44%	0.435	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	107.4	-177.6	-163	-145.9	170.4	-143.6	0	110.7	D514 L515 L516	D514-K611 VanDerWaalsContact O-CD 3.31Å; D514-K611 WeakPolarHBondContact O-CD 3.35Å; D514-K611 WeakPolarHBondContact O-CE 3.49Å; D514-K611 WeakPolarHBondContact O-CG 3.48Å; D514-K611 PolarHBondContact O-NZ 3.41Å; L515-K611 PolarHBondContact O-NZ 3.45Å; L516-K611 HydrophobicContact CD1-CB 4.36Å; L516-K611 PolarHBondContact N-O 2.9Å
612	G	86.7	Confident	86.5	Confident	7 Å²	7	47.2 Å²	47.2	7%	0.072	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	144.3	161.8	169.2	0	0	0	0	0	113.7	A513 L601 F610	A513-G612 CarbonylContact O-C 3.56Å; A513-G612 WeakPolarHBondContact O-CA 3.38Å; L601-G612 WeakPolarHBondContact CB-O 3.35Å; L601-G612 PolarHBondContact N-O 2.85Å; F610-G612 PolarHBondContact O-N 3.15Å
613	L	92.7	Very high	86.5	Confident	26 Å²	26	46.9 Å²	46.9	14%	0.136	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	146.7	-180	-58	175.8	0	0	0	109.6	A512 A513 Y599 V600 Y615 L858	A512-L613 CarbonylContact C-O 3.54Å; A512-L613 WeakPolarHBondContact CA-O 3.44Å; A512-L613 VanDerWaalsContact CB-O 3.26Å; A512-L613 WeakPolarHBondContact CB-O 3.34Å; A513-L613 PolarHBondContact N-O 2.82Å; A513-L613 PolarHBondContact O-N 2.88Å; Y599-L613 CarbonylContact O-C 3.53Å; Y599-L613 WeakPolarHBondContact O-CA 3.16Å; V600-L613 HydrophobicContact CB-CD2 4.33Å; V600-L613 HydrophobicContact CG2-CD2 3.83Å; L613-Y615 HydrophobicContact CB-CE2 4.39Å; L613-L858 HydrophobicContact CD1-CD2 4.06Å; L613-L858 HydrophobicContact CD2-CD2 3.79Å
614	I	93	Very high	86.5	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	134.1	172.8	-167.7	172.6	0	0	0	111.1	V567 V569 V584 Y599 L601 L616	V567-I614 HydrophobicContact CG1-CD1 3.82Å; V569-I614 HydrophobicContact CG2-CD1 4.24Å; V584-I614 HydrophobicContact CG1-CG2 4.09Å; Y599-I614 PolarHBondContact N-O 2.83Å; Y599-I614 PolarHBondContact O-N 3.27Å; L601-I614 HydrophobicContact CD2-CB 4.18Å; L601-I614 HydrophobicContact CD2-CG2 3.81Å; I614-L616 HydrophobicContact CD1-CD2 3.94Å; I614-L616 HydrophobicContact CD1-CG 4.39Å; I614-L616 HydrophobicContact CG1-CD2 3.98Å; I614-L616 HydrophobicContact CG1-CG 4.15Å; I614-L616 HydrophobicContact CG2-CD1 4.42Å
615	Y	92.9	Very high	86.7	Confident	76 Å²	76	43.8 Å²	43.8	30%	0.298	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	115	-178.4	-65.7	-97.3	0	0	0	109.4	L510 K511 A513 N597 C598 L613	L510-Y615 WeakPolarHBondContact CB-O 3.4Å; L510-Y615 PolarHBondContact N-O 3.25Å; L510-Y615 VanDerWaalsContact N-O 3.15Å; K511-Y615 HydrophobicContact CG-CD2 3.75Å; K511-Y615 HydrophobicContact CG-CG 4.09Å; K511-Y615 PolarHBondContact O-N 2.96Å; A513-Y615 HydrophobicContact CB-CE2 4.12Å; N597-Y615 WeakPolarHBondContact O-CA 3.34Å; C598-Y615 HydrophobicContact CB-CD1 3.9Å; C598-Y615 HydrophobicContact CB-CE1 3.71Å; L613-Y615 HydrophobicContact CB-CE2 4.39Å
616	L	92.4	Very high	87.2	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	132.4	-175.6	-57.6	175.5	0	0	0	109.7	K508 V509 V567 I586 N597 Y599 I614	K508-L616 WeakPolarHBondContact O-CA 3.46Å; V509-L616 HydrophobicContact CB-CD2 4.23Å; V509-L616 HydrophobicContact CG1-CD2 4.14Å; V509-L616 HydrophobicContact CG2-CD2 3.97Å; V567-L616 HydrophobicContact CG2-CD1 4.03Å; I586-L616 HydrophobicContact CD1-CD1 3.86Å; N597-L616 PolarHBondContact N-O 3.31Å; N597-L616 PolarHBondContact O-N 3.37Å; Y599-L616 HydrophobicContact CD2-CB 4.31Å; Y599-L616 HydrophobicContact CD2-CD1 4.09Å; Y599-L616 HydrophobicContact CD2-CG 4.36Å; Y599-L616 HydrophobicContact CE2-CB 4.14Å; Y599-L616 HydrophobicContact CE2-CD1 4.34Å; I614-L616 HydrophobicContact CD1-CD2 3.94Å; I614-L616 HydrophobicContact CD1-CG 4.39Å; I614-L616 HydrophobicContact CG1-CD2 3.98Å; I614-L616 HydrophobicContact CG1-CG 4.15Å; I614-L616 HydrophobicContact CG2-CD1 4.42Å
617	E	91.1	Very high	87.5	Confident	34 Å²	34	38.4 Å²	38.4	16%	0.159	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	136.8	165.3	-165.2	-168	129.3	0	0	108.5	K508	K508-E617 HydrophobicContact CB-CB 4.02Å; K508-E617 HydrophobicContact CD-CB 4.35Å; K508-E617 WeakPolarHBondContact CE-OE1 3.5Å; K508-E617 HydrophobicContact CG-CB 4.22Å; K508-E617 PolarHBondContact N-O 3.49Å; K508-E617 IonicContact NZ-OE1 3.16Å; K508-E617 PolarHBondContact NZ-OE1 2.9Å; K508-E617 IonicContact NZ-OE2 2.62Å; K508-E617 PolarHBondContact O-N 3.38Å
618	L	91.1	Very high	88	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	136.2	-171.8	-61.7	172.9	0	0	0	109.3	Q506 V507 L565 I586 I591 D593 G594 Y599	Q506-L618 WeakPolarHBondContact O-CA 3.27Å; V507-L618 HydrophobicContact CB-CD2 4.04Å; V507-L618 HydrophobicContact CG1-CD2 3.72Å; V507-L618 HydrophobicContact CG2-CD2 3.75Å; L565-L618 HydrophobicContact CD2-CD2 3.87Å; I586-L618 HydrophobicContact CD1-CD1 4.16Å; I586-L618 HydrophobicContact CG2-CD1 4.15Å; I591-L618 HydrophobicContact CD1-CB 4.31Å; I591-L618 HydrophobicContact CD1-CD1 4.08Å; I591-L618 HydrophobicContact CG1-CB 4.45Å; I591-L618 HydrophobicContact CG1-CD1 3.94Å; I591-L618 HydrophobicContact CG2-CB 3.59Å; I591-L618 HydrophobicContact CG2-CD1 4.5Å; D593-L618 CarbonylContact C-O 3.52Å; D593-L618 WeakPolarHBondContact CA-O 3.28Å; G594-L618 PolarHBondContact N-O 3.24Å; Y599-L618 HydrophobicContact CE2-CD1 4.49Å
619	D	88.3	Confident	88.4	Confident	8 Å²	8	33.8 Å²	33.8	4%	0.043	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	122.4	-179.1	-167.1	-6.8	0	0	0	109.2	L477 R483 Q506	L477-D619 HydrophobicContact CD2-CB 4.11Å; R483-D619 IonicContact CZ-OD1 3.34Å; R483-D619 IonicContact CZ-OD2 3.16Å; R483-D619 VanDerWaalsContact CZ-OD2 3.24Å; R483-D619 IonicContact NH1-OD1 1.95Å; R483-D619 IonicContact NH1-OD2 3.45Å; R483-D619 PolarHBondContact NH1-OD2 2.69Å; R483-D619 VanDerWaalsContact NH2-CG 3.28Å; R483-D619 IonicContact NH2-OD1 3.79Å; R483-D619 PolarHBondContact NH2-OD1 2.97Å; R483-D619 IonicContact NH2-OD2 3.69Å; R483-D619 PolarHBondContact NH2-OD2 3.02Å; Q506-D619 HydrophobicContact CB-CB 4.4Å; Q506-D619 PolarHBondContact N-O 2.87Å; Q506-D619 PolarHBondContact O-N 2.85Å
620	L	89.9	Confident	88.6	Confident	19 Å²	19	32.2 Å²	32.2	10%	0.099	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	105.8	-161.9	167.1	57.5	0	0	0	111.2	L505 I558 I561 L588 I591 D593 Y622	L505-L620 HydrophobicContact CD1-CB 4.34Å; I558-L620 HydrophobicContact CD1-CD1 3.13Å; I561-L620 HydrophobicContact CD1-CD1 3.88Å; I561-L620 HydrophobicContact CD1-CD2 4.21Å; L588-L620 HydrophobicContact CB-CD2 4.29Å; L588-L620 WeakPolarHBondContact O-CD2 3.34Å; I591-L620 HydrophobicContact CB-CD2 4.06Å; I591-L620 HydrophobicContact CD1-CD2 4.4Å; I591-L620 HydrophobicContact CG2-CB 4.03Å; I591-L620 HydrophobicContact CG2-CD2 4.45Å; D593-L620 WeakPolarHBondContact OD1-CB 3.14Å; D593-L620 PolarHBondContact OD1-N 2.8Å; L620-Y622 HydrophobicContact CD1-CD1 4.04Å; L620-Y622 HydrophobicContact CD2-CD1 4.39Å; L620-Y622 HydrophobicContact CD2-CE1 4.48Å; L620-Y622 HydrophobicContact CG-CD1 3.93Å; L620-Y622 HydrophobicContact CG-CE1 4.42Å
621	I	87.9	Confident	88.8	Confident	26 Å²	26	29.6 Å²	29.6	13%	0.133	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	111.3	176.6	-57.2	177.8	0	0	0	109.2	L477 R483 I486 Y490 G503 I504	L477-I621 HydrophobicContact CD2-CD1 3.72Å; L477-I621 HydrophobicContact CD2-CG1 4.17Å; L477-I621 HydrophobicContact CG-CD1 4.24Å; R483-I621 HydrophobicContact CG-CD1 4.28Å; I486-I621 HydrophobicContact CG2-CB 4.41Å; I486-I621 HydrophobicContact CG2-CD1 3.97Å; I486-I621 HydrophobicContact CG2-CG2 4.19Å; Y490-I621 HydrophobicContact CD2-CG2 4.12Å; G503-I621 CarbonylContact C-O 3.58Å; G503-I621 WeakPolarHBondContact CA-O 3.47Å; I504-I621 HydrophobicContact CG2-CB 4.05Å; I504-I621 PolarHBondContact N-O 2.97Å; I504-I621 PolarHBondContact O-N 3.4Å
622	Y	89.9	Confident	88.8	Confident	72 Å²	72	27.5 Å²	27.5	28%	0.282	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	158	179.7	76.5	-77.4	0	0	0	112.9	I561 L620 P624 A627	I561-Y622 HydrophobicContact CB-CD2 4.49Å; I561-Y622 HydrophobicContact CD1-CD1 3.81Å; I561-Y622 HydrophobicContact CD1-CD2 3.84Å; I561-Y622 HydrophobicContact CD1-CE1 4.18Å; I561-Y622 HydrophobicContact CD1-CE2 4.2Å; I561-Y622 HydrophobicContact CD1-CG 3.62Å; I561-Y622 HydrophobicContact CG1-CD2 3.93Å; I561-Y622 HydrophobicContact CG1-CE2 3.92Å; I561-Y622 HydrophobicContact CG1-CG 4.24Å; L620-Y622 HydrophobicContact CD1-CD1 4.04Å; L620-Y622 HydrophobicContact CD2-CD1 4.39Å; L620-Y622 HydrophobicContact CD2-CE1 4.48Å; L620-Y622 HydrophobicContact CG-CD1 3.93Å; L620-Y622 HydrophobicContact CG-CE1 4.42Å; Y622-P624 HydrophobicContact CE2-CB 4.18Å; Y622-A627 HydrophobicContact CD2-CB 4.22Å; Y622-A627 HydrophobicContact CE2-CB 4.39Å
623	N	89.3	Confident	88.6	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.148	C	C	.	.			trans	-93.5	117.6	173.9	-176.8	-62.3	0	0	0	110.2	Y490 A491 S495 V502 V625 K626 A627	Y490-N623 VanDerWaalsContact O-CB 3.24Å; Y490-N623 WeakPolarHBondContact O-CB 3.29Å; Y490-N623 PolarHBondContact O-ND2 3.46Å; A491-N623 PolarHBondContact O-ND2 2.77Å; S495-N623 PolarHBondContact OG-ND2 2.65Å; S495-N623 PolarHBondContact OG-OD1 2.91Å; V502-N623 PolarHBondContact O-N 3.32Å; N623-V625 VanDerWaalsContact C-N 3.32Å; N623-V625 PolarHBondContact O-N 2.77Å; N623-V625 WeakPolarHBondContact OD1-CA 3.45Å; N623-V625 WeakPolarHBondContact OD1-CB 3.25Å; N623-V625 PolarHBondContact OD1-N 2.79Å; N623-K626 HydrophobicContact CB-CB 4.01Å; N623-K626 HydrophobicContact CB-CD 4.07Å; N623-K626 HydrophobicContact CB-CG 3.93Å; N623-K626 PolarHBondContact O-N 2.72Å; N623-K626 PolarHBondContact OD1-N 3.48Å; N623-A627 WeakPolarHBondContact O-CB 3.31Å; N623-A627 PolarHBondContact O-N 2.74Å
624	P	87.8	Confident	87.9	Confident	53 Å²	53	30.8 Å²	30.8	34%	0.344	16%	0.161	S	C	.	.	H	α-helix	trans	-70.6	-25.2	-176.1	27.8	-34.9	0	0	0	113.3	L492 Y622 S628 F789	L492-P624 HydrophobicContact CD2-CG 3.98Å; Y622-P624 HydrophobicContact CE2-CB 4.18Å; P624-S628 WeakPolarHBondContact O-CB 3.46Å; P624-S628 PolarHBondContact O-N 3.07Å; P624-S628 PolarHBondContact O-OG 3.35Å; P624-F789 HydrophobicContact CB-CE2 4.31Å
625	V	87	Confident	87.1	Confident	62 Å²	62	34.4 Å²	34.4	38%	0.376	18%	0.175	S	C	.	.	H	α-helix	trans	-74.8	-45.3	176.7	178.4	0	0	0	0	110.5	L492 N623 A627 S628 I629	L492-V625 HydrophobicContact CD2-CG2 3.8Å; N623-V625 VanDerWaalsContact C-N 3.32Å; N623-V625 PolarHBondContact O-N 2.77Å; N623-V625 WeakPolarHBondContact OD1-CA 3.45Å; N623-V625 WeakPolarHBondContact OD1-CB 3.25Å; N623-V625 PolarHBondContact OD1-N 2.79Å; V625-A627 VanDerWaalsContact C-N 3.32Å; V625-A627 PolarHBondContact O-N 3.44Å; V625-S628 PolarHBondContact O-N 2.87Å; V625-I629 HydrophobicContact CG1-CD1 4.19Å; V625-I629 WeakPolarHBondContact O-CG1 3.32Å; V625-I629 PolarHBondContact O-N 3.15Å
626	K	86.9	Confident	86.1	Confident	3 Å²	3	33.2 Å²	33.2	1%	0.013	17%	0.172	C	C	.	.	H	α-helix	trans	-57.7	-46	171.3	-69.4	-168.9	-180	-165.1	0	111.2	S495 K497 D498 D501 V502 N623 S628 I629 R630	S495-K626 WeakPolarHBondContact O-CG 3.46Å; K497-K626 WeakPolarHBondContact O-CE 3.26Å; K497-K626 PolarHBondContact O-NZ 3.31Å; D498-K626 PolarHBondContact O-NZ 2.75Å; D501-K626 WeakPolarHBondContact O-CD 3.46Å; D501-K626 PolarHBondContact O-NZ 3.34Å; V502-K626 HydrophobicContact CG1-CB 4.34Å; V502-K626 HydrophobicContact CG2-CB 4.45Å; N623-K626 HydrophobicContact CB-CB 4.01Å; N623-K626 HydrophobicContact CB-CD 4.07Å; N623-K626 HydrophobicContact CB-CG 3.93Å; N623-K626 PolarHBondContact O-N 2.72Å; N623-K626 PolarHBondContact OD1-N 3.48Å; K626-S628 VanDerWaalsContact C-N 3.31Å; K626-S628 PolarHBondContact O-N 2.81Å; K626-I629 PolarHBondContact O-N 3.47Å; K626-I629 VanDerWaalsContact O-N 3.14Å; K626-R630 WeakPolarHBondContact O-CB 3.28Å; K626-R630 PolarHBondContact O-N 3.43Å
627	A	87.4	Confident	85	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-57.3	-43.7	175.4	0	0	0	0	0	112.1	V502 I561 Y622 N623 V625 I629 R630 T631 F789	V502-A627 HydrophobicContact CG1-CB 3.74Å; I561-A627 HydrophobicContact CB-CB 4.26Å; I561-A627 HydrophobicContact CG2-CB 3.76Å; Y622-A627 HydrophobicContact CD2-CB 4.22Å; Y622-A627 HydrophobicContact CE2-CB 4.39Å; N623-A627 WeakPolarHBondContact O-CB 3.31Å; N623-A627 PolarHBondContact O-N 2.74Å; V625-A627 VanDerWaalsContact C-N 3.32Å; V625-A627 PolarHBondContact O-N 3.44Å; A627-I629 VanDerWaalsContact C-N 3.27Å; A627-I629 PolarHBondContact O-N 2.75Å; A627-R630 PolarHBondContact O-N 3.28Å; A627-T631 PolarHBondContact O-N 3.02Å; A627-T631 VanDerWaalsContact O-N 3.15Å; A627-F789 HydrophobicContact CB-CE1 4.5Å; A627-F789 HydrophobicContact CB-CZ 3.91Å
628	S	87.8	Confident	83.8	Confident	30 Å²	30	42.8 Å²	42.8	21%	0.21	21%	0.211	C	C	.	.	H	α-helix	trans	-69.4	-18.9	178	-57.5	0	0	0	0	114.3	P624 V625 K626 T631 F632 F789	P624-S628 WeakPolarHBondContact O-CB 3.46Å; P624-S628 PolarHBondContact O-N 3.07Å; P624-S628 PolarHBondContact O-OG 3.35Å; V625-S628 PolarHBondContact O-N 2.87Å; K626-S628 VanDerWaalsContact C-N 3.31Å; K626-S628 PolarHBondContact O-N 2.81Å; S628-T631 PolarHBondContact O-OG1 3.39Å; S628-F632 WeakPolarHBondContact O-CD2 3.45Å; S628-F632 WeakPolarHBondContact O-CE2 3.35Å; S628-F789 WeakPolarHBondContact OG-CZ 3.3Å
629	I	86.7	Confident	82.1	Confident	73 Å²	73	46.4 Å²	46.4	37%	0.374	23%	0.227	S	C	.	.	H	α-helix	trans	-86.8	-40.4	171.3	-64.8	164.8	0	0	0	109.8	V499 V625 K626 A627 T631 F632	V499-I629 HydrophobicContact CG1-CB 4.28Å; V499-I629 HydrophobicContact CG1-CG2 3.81Å; V625-I629 HydrophobicContact CG1-CD1 4.19Å; V625-I629 WeakPolarHBondContact O-CG1 3.32Å; V625-I629 PolarHBondContact O-N 3.15Å; K626-I629 PolarHBondContact O-N 3.47Å; K626-I629 VanDerWaalsContact O-N 3.14Å; A627-I629 VanDerWaalsContact C-N 3.27Å; A627-I629 PolarHBondContact O-N 2.75Å; I629-T631 PolarHBondContact O-N 3.08Å; I629-F632 PolarHBondContact O-N 3.33Å
630	R	85.6	Confident	80.4	Confident	32 Å²	32	49.5 Å²	49.5	12%	0.121	25%	0.246	C	C	.	.	H	α-helix	trans	-60.8	-30.1	178.9	-170.8	66.7	171.1	129	1	112.9	V502 K559 D560 K626 A627 F632 S633 E636 R843	V502-R630 HydrophobicContact CG2-CB 4.14Å; V502-R630 HydrophobicContact CG2-CG 4.16Å; K559-R630 WeakPolarHBondContact O-CD 3.48Å; K559-R630 WeakPolarHBondContact O-CG 3.37Å; K559-R630 PolarHBondContact O-NE 3.2Å; D560-R630 HydrophobicContact CB-CG 4.4Å; K626-R630 WeakPolarHBondContact O-CB 3.28Å; K626-R630 PolarHBondContact O-N 3.43Å; A627-R630 PolarHBondContact O-N 3.28Å; R630-F632 PolarHBondContact O-N 3.21Å; R630-F632 VanDerWaalsContact O-N 3.09Å; R630-S633 WeakPolarHBondContact O-CB 3.24Å; R630-S633 PolarHBondContact O-N 2.68Å; R630-E636 IonicContact NH2-OE1 3.98Å; R630-E636 PolarHBondContact NH2-OE1 3.46Å; R630-R843 PolarHBondContact O-NH2 2.87Å; R630-R843 VanDerWaalsContact O-NH2 3.12Å
631	T	86.4	Confident	78.4	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-21.6	177.3	42.2	0	0	0	0	115.4	H562 A627 S628 I629 L790 L793 D839 F840 R843	H562-T631 WeakPolarHBondContact CE1-CG2 3.34Å; A627-T631 PolarHBondContact O-N 3.02Å; A627-T631 VanDerWaalsContact O-N 3.15Å; S628-T631 PolarHBondContact O-OG1 3.39Å; I629-T631 PolarHBondContact O-N 3.08Å; T631-L790 HydrophobicContact CG2-CD2 3.73Å; T631-L793 HydrophobicContact CG2-CD2 4.25Å; T631-L793 WeakPolarHBondContact OG1-CD2 3.42Å; T631-D839 CarbonylContact O-C 3.53Å; T631-F840 PolarHBondContact O-N 3.23Å; T631-R843 PolarHBondContact O-NH1 2.75Å
632	F	84.2	Confident	76.5	Confident	55 Å²	55	61.8 Å²	61.8	24%	0.241	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	2	178.9	-54.5	-70.6	0	0	0	113.1	S628 I629 R630 L793 I797 N834 E836 F840	S628-F632 WeakPolarHBondContact O-CD2 3.45Å; S628-F632 WeakPolarHBondContact O-CE2 3.35Å; I629-F632 PolarHBondContact O-N 3.33Å; R630-F632 PolarHBondContact O-N 3.21Å; R630-F632 VanDerWaalsContact O-N 3.09Å; F632-L793 HydrophobicContact CE2-CD2 3.99Å; F632-L793 HydrophobicContact CE2-CG 4.44Å; F632-L793 HydrophobicContact CZ-CD2 4.01Å; F632-L793 HydrophobicContact CZ-CG 4.24Å; F632-I797 HydrophobicContact CE1-CD1 4.11Å; F632-I797 HydrophobicContact CE2-CD1 3.88Å; F632-I797 HydrophobicContact CZ-CD1 3.3Å; F632-N834 PolarHBondContact O-ND2 3.5Å; F632-E836 HydrophobicContact CB-CB 4.39Å; F632-E836 HydrophobicContact CB-CG 4.43Å; F632-E836 HydrophobicContact CD1-CB 4.31Å; F632-F840 HydrophobicContact CD1-CB 4.19Å; F632-F840 HydrophobicContact CE1-CB 3.87Å; F632-F840 AromaticContact CE1-CD2 3.66Å; F632-F840 HydrophobicContact CE1-CD2 3.66Å; F632-F840 HydrophobicContact CE1-CG 4.07Å; F632-F840 AromaticContact CZ-CD2 3.85Å; F632-F840 HydrophobicContact CZ-CD2 3.85Å; F632-F840 HydrophobicContact CZ-CE2 4.48Å
633	S	81.6	Confident	74.6	Confident	39 Å²	39	63.7 Å²	63.7	27%	0.273	33%	0.33	S	S	.	.	S	Bend	trans	-86.2	151.8	168	-56.4	0	0	0	0	110.6	R630 R635 R843	R630-S633 WeakPolarHBondContact O-CB 3.24Å; R630-S633 PolarHBondContact O-N 2.68Å; S633-R635 PolarHBondContact O-N 2.91Å; S633-R843 VanDerWaalsContact O-CZ 3.28Å; S633-R843 PolarHBondContact O-NH1 3.35Å; S633-R843 PolarHBondContact O-NH2 2.86Å
634	P	79.7	Confident	73.1	Confident	64 Å²	64	71 Å²	71	42%	0.416	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-56.5	140.3	171.2	24.4	-34.3	0	0	0	111.6	D839	P634-D839 WeakPolarHBondContact CA-OD1 3.33Å
635	R	75.5	Confident	71.9	Confident	75 Å²	75	77.3 Å²	77.3	28%	0.283	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-73.5	141	175.1	-167.2	178.7	-169.5	148.1	8.4	109.8	H562 D563 S633 S842	H562-R635 PolarHBondContact O-NH2 2.85Å; D563-R635 IonicContact OD1-CZ 2.74Å; D563-R635 IonicContact OD1-NE 2.65Å; D563-R635 PolarHBondContact OD1-NE 3.05Å; D563-R635 IonicContact OD1-NH2 3.46Å; D563-R635 PolarHBondContact OD1-NH2 3.47Å; S633-R635 PolarHBondContact O-N 2.91Å; R635-S842 PolarHBondContact NH1-O 3.43Å
636	E	72.8	Confident	70.9	Confident	52 Å²	52	77.2 Å²	77.2	24%	0.243	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-65.1	135.4	173	-77.3	165.7	-118.3	0	0	110.9	K559 R630	K559-E636 WeakPolarHBondContact CD-OE1 3.38Å; K559-E636 WeakPolarHBondContact CD-OE2 3.3Å; K559-E636 IonicContact NZ-OE2 3.83Å; K559-E636 PolarHBondContact NZ-OE2 3.08Å; R630-E636 IonicContact NH2-OE1 3.98Å; R630-E636 PolarHBondContact NH2-OE1 3.46Å
637	K	69.1	Low	70.2	Confident	141 Å²	141	79.1 Å²	79.1	61%	0.613	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-75.7	144.2	173.1	-67.4	-177.9	175.8	179.4	0	110	N534	N534-K637 PolarHBondContact ND2-O 3.15Å; N534-K637 PolarHBondContact OD1-O 3.27Å
638	R	65	Low	69.7	Low	94 Å²	94	88.2 Å²	88.2	36%	0.355	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-75.2	138.7	173.9	-70.2	-169.7	172.2	-177.5	-1.7	110.9	N534 E566 V640	N534-R638 VanDerWaalsContact OD1-CA 3.28Å; N534-R638 WeakPolarHBondContact OD1-CA 3.02Å; E566-R638 IonicContact OE1-CZ 3Å; E566-R638 IonicContact OE1-NH1 3.26Å; E566-R638 PolarHBondContact OE1-NH1 2.99Å; E566-R638 IonicContact OE1-NH2 2.72Å; E566-R638 PolarHBondContact OE1-NH2 2.87Å; E566-R638 IonicContact OE2-NH1 2.68Å; E566-R638 PolarHBondContact OE2-NH1 2.78Å; R638-V640 VanDerWaalsContact C-N 3.33Å; R638-V640 PolarHBondContact O-N 2.77Å
639	F	56.3	Low	69.3	Low	77 Å²	77	94.1 Å²	94.1	34%	0.338	45%	0.452	S	S	.	.	S	Bend	trans	-70.8	-27.3	-176.3	-51.6	-22.4	0	0	0	113.7	Y381 N534	Y381-F639 HydrophobicContact CD1-CD1 4.34Å; Y381-F639 HydrophobicContact CD1-CE1 4.48Å; Y381-F639 AromaticContact CE1-CD1 3.53Å; Y381-F639 HydrophobicContact CE1-CD1 3.53Å; Y381-F639 AromaticContact CE1-CE1 3.31Å; Y381-F639 HydrophobicContact CE1-CE1 3.31Å; Y381-F639 HydrophobicContact CE1-CZ 4.1Å; Y381-F639 AromaticContact CZ-CD1 3.96Å; Y381-F639 AromaticContact CZ-CE1 3.45Å; Y381-F639 VanDerWaalsContact CZ-CE1 3.45Å; Y381-F639 AromaticContact CZ-CZ 3.74Å; Y381-F639 WeakPolarHBondContact OH-CE1 3.35Å; Y381-F639 WeakPolarHBondContact OH-CZ 3.44Å; N534-F639 HydrophobicContact CB-CD1 4.42Å; N534-F639 HydrophobicContact CB-CD2 4.21Å; N534-F639 HydrophobicContact CB-CE1 3.84Å; N534-F639 HydrophobicContact CB-CE2 3.65Å; N534-F639 HydrophobicContact CB-CZ 3.43Å; N534-F639 VanDerWaalsContact CB-CZ 3.43Å; N534-F639 WeakPolarHBondContact ND2-CE1 3.46Å; N534-F639 WeakPolarHBondContact OD1-CD1 3Å; N534-F639 VanDerWaalsContact OD1-CE1 3.32Å; N534-F639 WeakPolarHBondContact OD1-CE1 3.41Å; N534-F639 WeakPolarHBondContact OD1-CG 3.27Å; N534-F639 PolarHBondContact OD1-N 3.27Å
640	V	52.4	Low	69	Low	73 Å²	73	92.5 Å²	92.5	44%	0.442	44%	0.444	S	S	.	.			trans	-114.2	82.9	177.3	-174.4	0	0	0	0	108.6	R638 D642	R638-V640 VanDerWaalsContact C-N 3.33Å; R638-V640 PolarHBondContact O-N 2.77Å; V640-D642 PolarHBondContact O-N 2.84Å
641	E	46.5	Very low	68.8	Low	166 Å²	166	93.1 Å²	93.1	78%	0.776	45%	0.449	S	S	*	.			trans	-89.3	83.6	171.9	-169.1	155	-117.5	0	0	108.7	S643	E641-S643 PolarHBondContact O-N 3.2Å; E641-S643 VanDerWaalsContact O-N 3.08Å
642	D	48.7	Very low	68.7	Low	137 Å²	137	96.2 Å²	96.2	73%	0.733	47%	0.471	S	S	*	.			trans	-55.9	114.4	176.9	-84.9	-31.7	0	0	0	110	V640 R644	V640-D642 PolarHBondContact O-N 2.84Å; D642-R644 PolarHBondContact O-N 3.43Å
643	S	49.5	Very low	68.7	Low	112 Å²	112	97.1 Å²	97.1	78%	0.783	47%	0.473	S	S	*	.			trans	-64.7	103.4	-177.2	51.5	0	0	0	0	110.2	E641 K645	E641-S643 PolarHBondContact O-N 3.2Å; E641-S643 VanDerWaalsContact O-N 3.08Å; S643-K645 PolarHBondContact O-N 2.82Å
644	R	57.7	Low	68.9	Low	153 Å²	153	95.3 Å²	95.3	58%	0.577	46%	0.46	S	S	*	.			trans	-56.2	113.5	-175.8	-71.5	-175.9	178.6	176.4	0.7	110.2	D642 L646 E770	D642-R644 PolarHBondContact O-N 3.43Å; R644-L646 PolarHBondContact O-N 2.9Å; R644-E770 IonicContact CZ-OE1 3.64Å; R644-E770 IonicContact CZ-OE2 3.13Å; R644-E770 IonicContact NH1-OE1 3.97Å; R644-E770 PolarHBondContact NH1-OE1 3.46Å; R644-E770 IonicContact NH1-OE2 3.54Å; R644-E770 PolarHBondContact NH1-OE2 3.09Å; R644-E770 IonicContact NH2-OE1 2.66Å
645	K	64.3	Low	69.2	Low	186 Å²	186	95.6 Å²	95.6	81%	0.809	46%	0.46	S	S	*	.			trans	-61.1	129.3	177.4	-65	175.7	-176.9	173.5	0	108.9	S643 S647	S643-K645 PolarHBondContact O-N 2.82Å; K645-S647 PolarHBondContact O-N 3.32Å
646	L	65.4	Low	69.6	Low	60 Å²	60	95.2 Å²	95.2	31%	0.314	46%	0.464	S	S	.	.			trans	-46.9	129.2	175.4	-80.2	172.8	0	0	0	111.1	R644 Q759 V762	R644-L646 PolarHBondContact O-N 2.9Å; L646-Q759 HydrophobicContact CD1-CB 4.47Å; L646-Q759 HydrophobicContact CD1-CG 3.41Å; L646-Q759 VanDerWaalsContact CD1-CG 3.41Å; L646-V762 HydrophobicContact CD2-CG1 3.97Å
647	S	71.1	Confident	70.3	Confident	43 Å²	43	93.2 Å²	93.2	30%	0.301	45%	0.454	S	S	.	.			trans	-142.4	131.9	173	74.1	0	0	0	0	111.6	K645 K649 I650 L651	K645-S647 PolarHBondContact O-N 3.32Å; S647-K649 PolarHBondContact O-N 2.88Å; S647-K649 VanDerWaalsContact O-N 3.16Å; S647-I650 PolarHBondContact O-N 3.07Å; S647-I650 VanDerWaalsContact O-N 3.15Å; S647-I650 WeakPolarHBondContact OG-CB 3.3Å; S647-I650 WeakPolarHBondContact OG-CD1 3.25Å; S647-I650 VanDerWaalsContact OG-CG1 3.27Å; S647-I650 WeakPolarHBondContact OG-CG1 3.46Å; S647-I650 PolarHBondContact OG-N 3.29Å; S647-L651 PolarHBondContact O-N 3.04Å; S647-L651 VanDerWaalsContact O-N 3.12Å
648	K	77.2	Confident	71.2	Confident	190 Å²	190	87.5 Å²	87.5	83%	0.826	43%	0.431	S	S	*	.	H	α-helix	trans	-55.8	-32.8	178.5	-171.5	178.3	178.5	-177.2	0	111.9	S652	K648-S652 VanDerWaalsContact O-CB 3.3Å; K648-S652 WeakPolarHBondContact O-CB 3.21Å; K648-S652 PolarHBondContact O-N 3.45Å
649	K	80.1	Confident	72.3	Confident	155 Å²	155	89 Å²	89	67%	0.674	44%	0.44	S	S	*	.	H	α-helix	trans	-65.1	-45.8	177.8	-169.8	-170.4	177.6	-161.8	0	112.6	S647 R653	S647-K649 PolarHBondContact O-N 2.88Å; S647-K649 VanDerWaalsContact O-N 3.16Å; K649-R653 WeakPolarHBondContact O-CB 3.34Å; K649-R653 PolarHBondContact O-N 3.39Å; K649-R653 VanDerWaalsContact O-N 3.15Å
650	I	79.3	Confident	73.7	Confident	39 Å²	39	92.6 Å²	92.6	20%	0.2	45%	0.451	C	S	.	.	H	α-helix	trans	-68.1	-50.2	178.2	-67.9	174.1	0	0	0	109.5	S647 S652 R653 D654	S647-I650 PolarHBondContact O-N 3.07Å; S647-I650 VanDerWaalsContact O-N 3.15Å; S647-I650 WeakPolarHBondContact OG-CB 3.3Å; S647-I650 WeakPolarHBondContact OG-CD1 3.25Å; S647-I650 VanDerWaalsContact OG-CG1 3.27Å; S647-I650 WeakPolarHBondContact OG-CG1 3.46Å; S647-I650 PolarHBondContact OG-N 3.29Å; I650-S652 VanDerWaalsContact C-N 3.34Å; I650-S652 PolarHBondContact O-N 2.89Å; I650-R653 WeakPolarHBondContact O-CB 3.31Å; I650-R653 PolarHBondContact O-N 3.27Å; I650-R653 VanDerWaalsContact O-N 3.1Å; I650-D654 WeakPolarHBondContact CG2-OD2 3.37Å; I650-D654 VanDerWaalsContact O-CG 3.3Å; I650-D654 PolarHBondContact O-N 3.42Å
651	L	82.7	Confident	75.2	Confident	44 Å²	44	91.6 Å²	91.6	23%	0.23	44%	0.443	C	S	.	.	H	α-helix	trans	-55.5	-45.5	179	-179	63.4	0	0	0	112.6	S647 D654 V655 V762 Q766 L769	S647-L651 PolarHBondContact O-N 3.04Å; S647-L651 VanDerWaalsContact O-N 3.12Å; L651-D654 PolarHBondContact O-N 2.83Å; L651-V655 WeakPolarHBondContact O-CG2 3.23Å; L651-V655 PolarHBondContact O-N 3.11Å; L651-V762 HydrophobicContact CD2-CG1 4.2Å; L651-Q766 HydrophobicContact CB-CG 4.34Å; L651-Q766 HydrophobicContact CD1-CB 4.05Å; L651-Q766 HydrophobicContact CD1-CG 4Å; L651-L769 HydrophobicContact CD1-CD2 4.05Å
652	S	84.1	Confident	77.1	Confident	65 Å²	65	87.1 Å²	87.1	46%	0.455	43%	0.427	S	S	.	.	H	α-helix	trans	-61.1	-47.3	176.3	-165	0	0	0	0	111.8	K648 I650 D654 V655 D656	K648-S652 VanDerWaalsContact O-CB 3.3Å; K648-S652 WeakPolarHBondContact O-CB 3.21Å; K648-S652 PolarHBondContact O-N 3.45Å; I650-S652 VanDerWaalsContact C-N 3.34Å; I650-S652 PolarHBondContact O-N 2.89Å; S652-D654 PolarHBondContact O-N 2.78Å; S652-V655 WeakPolarHBondContact O-CB 3.41Å; S652-V655 PolarHBondContact O-N 3.22Å; S652-D656 PolarHBondContact O-N 3.46Å
653	R	84.1	Confident	78.9	Confident	75 Å²	75	85.4 Å²	85.4	28%	0.283	42%	0.416	S	S	.	.	H	α-helix	trans	-57.9	-37.8	177.2	177.6	175.1	70.5	-174.8	-0.5	112	E607 K649 I650 D656 R657	E607-R653 IonicContact OE1-CZ 2.76Å; E607-R653 IonicContact OE1-NH1 2.64Å; E607-R653 PolarHBondContact OE1-NH1 3.08Å; E607-R653 IonicContact OE1-NH2 3.96Å; E607-R653 IonicContact OE2-NH1 3.64Å; K649-R653 WeakPolarHBondContact O-CB 3.34Å; K649-R653 PolarHBondContact O-N 3.39Å; K649-R653 VanDerWaalsContact O-N 3.15Å; I650-R653 WeakPolarHBondContact O-CB 3.31Å; I650-R653 PolarHBondContact O-N 3.27Å; I650-R653 VanDerWaalsContact O-N 3.1Å; R653-D656 PolarHBondContact O-N 2.79Å; R653-R657 VanDerWaalsContact O-CG 3.27Å; R653-R657 WeakPolarHBondContact O-CG 3.19Å; R653-R657 PolarHBondContact O-N 2.92Å
654	D	84.4	Confident	80.6	Confident	0 Å²	0	82.7 Å²	82.7	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-77.8	-33	-178.4	-62.9	-27.9	0	0	0	112.2	I650 L651 S652 D656 R657 V658 L769	I650-D654 WeakPolarHBondContact CG2-OD2 3.37Å; I650-D654 VanDerWaalsContact O-CG 3.3Å; I650-D654 PolarHBondContact O-N 3.42Å; L651-D654 PolarHBondContact O-N 2.83Å; S652-D654 PolarHBondContact O-N 2.78Å; D654-D656 VanDerWaalsContact C-N 3.33Å; D654-R657 PolarHBondContact O-N 2.98Å; D654-R657 WeakPolarHBondContact OD1-CD 3.29Å; D654-R657 IonicContact OD1-CZ 2.63Å; D654-R657 IonicContact OD1-NE 3.22Å; D654-R657 IonicContact OD1-NH1 3.9Å; D654-R657 PolarHBondContact OD1-NH1 3.35Å; D654-V658 WeakPolarHBondContact O-CG2 3.31Å; D654-V658 PolarHBondContact O-N 3.18Å; D654-L769 HydrophobicContact CB-CD2 3.97Å; D654-L769 HydrophobicContact CB-CG 4.25Å
655	V	86.1	Confident	81.9	Confident	71 Å²	71	79.6 Å²	79.6	43%	0.43	39%	0.394	S	S	.	.	H	α-helix	trans	-58.2	-46.4	165.3	171.6	0	0	0	0	110.2	L651 S652 R657 V658 K659 L769	L651-V655 WeakPolarHBondContact O-CG2 3.23Å; L651-V655 PolarHBondContact O-N 3.11Å; S652-V655 WeakPolarHBondContact O-CB 3.41Å; S652-V655 PolarHBondContact O-N 3.22Å; V655-R657 PolarHBondContact O-N 2.77Å; V655-V658 PolarHBondContact O-N 3.05Å; V655-K659 VanDerWaalsContact O-CB 3.25Å; V655-K659 WeakPolarHBondContact O-CB 3.4Å; V655-K659 PolarHBondContact O-N 3.48Å; V655-L769 HydrophobicContact CB-CD2 4.33Å; V655-L769 HydrophobicContact CG2-CD2 3.57Å
656	D	85.1	Confident	83	Confident	66 Å²	66	77.6 Å²	77.6	35%	0.353	38%	0.382	S	S	.	.	H	α-helix	trans	-66.5	-34.7	178.8	-68.7	-44.4	0	0	0	113.2	S652 R653 D654 R660	S652-D656 PolarHBondContact O-N 3.46Å; R653-D656 PolarHBondContact O-N 2.79Å; D654-D656 VanDerWaalsContact C-N 3.33Å; D656-R660 WeakPolarHBondContact O-CG 3.42Å; D656-R660 PolarHBondContact O-N 3.38Å; D656-R660 PolarHBondContact O-NH1 2.9Å
657	R	86.8	Confident	84.1	Confident	10 Å²	10	79.6 Å²	79.6	4%	0.038	39%	0.393	C	S	.	.	H	α-helix	trans	-62.8	-48.9	172.9	-72.8	163.8	70.4	-146.6	2.3	111	R653 D654 V655 R660 L661 A773 E777	R653-R657 VanDerWaalsContact O-CG 3.27Å; R653-R657 WeakPolarHBondContact O-CG 3.19Å; R653-R657 PolarHBondContact O-N 2.92Å; D654-R657 PolarHBondContact O-N 2.98Å; D654-R657 WeakPolarHBondContact OD1-CD 3.29Å; D654-R657 IonicContact OD1-CZ 2.63Å; D654-R657 IonicContact OD1-NE 3.22Å; D654-R657 IonicContact OD1-NH1 3.9Å; D654-R657 PolarHBondContact OD1-NH1 3.35Å; V655-R657 PolarHBondContact O-N 2.77Å; R657-R660 VanDerWaalsContact CG-NH2 3.33Å; R657-R660 PolarHBondContact O-N 3.2Å; R657-L661 PolarHBondContact O-N 3.22Å; R657-A773 HydrophobicContact CB-CB 3.91Å; R657-E777 IonicContact CZ-OE1 3.68Å; R657-E777 IonicContact CZ-OE2 3.47Å; R657-E777 IonicContact NE-OE1 2.71Å; R657-E777 PolarHBondContact NE-OE1 3.43Å; R657-E777 IonicContact NE-OE2 2.76Å; R657-E777 VanDerWaalsContact NH2-CD 3.3Å; R657-E777 IonicContact NH2-OE1 3.89Å; R657-E777 PolarHBondContact NH2-OE1 3.27Å; R657-E777 IonicContact NH2-OE2 3.33Å; R657-E777 PolarHBondContact NH2-OE2 2.81Å
658	V	88.1	Confident	84.8	Confident	22 Å²	22	81.1 Å²	81.1	13%	0.133	40%	0.4	C	S	.	.	H	α-helix	trans	-66.8	-39.6	177.1	177.4	0	0	0	0	111.3	D654 V655 R660 L661 T662 L769 V772 A773	D654-V658 WeakPolarHBondContact O-CG2 3.31Å; D654-V658 PolarHBondContact O-N 3.18Å; V655-V658 PolarHBondContact O-N 3.05Å; V658-R660 VanDerWaalsContact C-N 3.32Å; V658-R660 PolarHBondContact O-N 3.29Å; V658-L661 WeakPolarHBondContact O-CB 3.45Å; V658-L661 PolarHBondContact O-N 3.11Å; V658-L661 VanDerWaalsContact O-N 3.08Å; V658-T662 HydrophobicContact CG1-CG2 3.98Å; V658-T662 WeakPolarHBondContact O-CG2 3.3Å; V658-T662 PolarHBondContact O-N 3.39Å; V658-T662 PolarHBondContact O-OG1 2.94Å; V658-T662 VanDerWaalsContact O-OG1 3.11Å; V658-L769 HydrophobicContact CB-CD1 4.05Å; V658-L769 HydrophobicContact CG1-CD1 4.34Å; V658-L769 HydrophobicContact CG2-CD1 3.62Å; V658-L769 HydrophobicContact CG2-CG 3.97Å; V658-V772 HydrophobicContact CG2-CG1 4.24Å; V658-A773 HydrophobicContact CG2-CB 3.8Å
659	K	87.9	Confident	85.3	Confident	125 Å²	125	76.1 Å²	76.1	54%	0.543	38%	0.382	S	S	.	.	H	α-helix	trans	-57.4	-42	174.6	-173.6	176.8	179.1	-179.6	0	111.7	V655 T662 M663	V655-K659 VanDerWaalsContact O-CB 3.25Å; V655-K659 WeakPolarHBondContact O-CB 3.4Å; V655-K659 PolarHBondContact O-N 3.48Å; K659-T662 PolarHBondContact O-OG1 2.86Å; K659-M663 HydrophobicContact CG-CG 4.35Å; K659-M663 VanDerWaalsContact O-CB 3.22Å; K659-M663 WeakPolarHBondContact O-CB 3.47Å; K659-M663 WeakPolarHBondContact O-CG 3.33Å; K659-M663 PolarHBondContact O-N 3.14Å
660	R	86.3	Confident	85.6	Confident	153 Å²	153	71.7 Å²	71.7	58%	0.577	36%	0.364	S	S	*	.	H	α-helix	trans	-64.1	-41	173.7	-74.1	-174.2	-63.9	-86.3	3.2	112.6	D656 R657 V658 A664	D656-R660 WeakPolarHBondContact O-CG 3.42Å; D656-R660 PolarHBondContact O-N 3.38Å; D656-R660 PolarHBondContact O-NH1 2.9Å; R657-R660 VanDerWaalsContact CG-NH2 3.33Å; R657-R660 PolarHBondContact O-N 3.2Å; V658-R660 VanDerWaalsContact C-N 3.32Å; V658-R660 PolarHBondContact O-N 3.29Å; R660-A664 WeakPolarHBondContact O-CB 3.32Å; R660-A664 PolarHBondContact O-N 2.88Å; R660-A664 VanDerWaalsContact O-N 3.14Å
661	L	84.2	Confident	86	Confident	51 Å²	51	75.1 Å²	75.1	27%	0.267	38%	0.377	S	S	.	.	H	α-helix	trans	-66.3	-47.1	177.8	-171.5	73.8	0	0	0	111.9	R657 V658 A664 I665	R657-L661 PolarHBondContact O-N 3.22Å; V658-L661 WeakPolarHBondContact O-CB 3.45Å; V658-L661 PolarHBondContact O-N 3.11Å; V658-L661 VanDerWaalsContact O-N 3.08Å; L661-A664 PolarHBondContact O-N 3.26Å; L661-I665 HydrophobicContact CG-CD1 4.27Å; L661-I665 WeakPolarHBondContact O-CG1 3.18Å; L661-I665 PolarHBondContact O-N 2.91Å; L661-I665 VanDerWaalsContact O-N 3.13Å
662	T	84.9	Confident	86.2	Confident	72 Å²	72	78.7 Å²	78.7	44%	0.442	39%	0.391	S	S	.	.	H	α-helix	trans	-70.7	-35.6	-179.3	56.6	0	0	0	0	112.2	V658 K659 I665 W666	V658-T662 HydrophobicContact CG1-CG2 3.98Å; V658-T662 WeakPolarHBondContact O-CG2 3.3Å; V658-T662 PolarHBondContact O-N 3.39Å; V658-T662 PolarHBondContact O-OG1 2.94Å; V658-T662 VanDerWaalsContact O-OG1 3.11Å; K659-T662 PolarHBondContact O-OG1 2.86Å; T662-I665 PolarHBondContact O-N 2.93Å; T662-W666 VanDerWaalsContact O-CB 3.28Å; T662-W666 WeakPolarHBondContact O-CB 3.27Å; T662-W666 PolarHBondContact O-N 3.41Å
663	M	87.8	Confident	86.3	Confident	101 Å²	101	79.9 Å²	79.9	50%	0.498	39%	0.388	S	S	.	.	H	α-helix	trans	-65.1	-37.5	172.7	-70.3	-73.5	-85.9	0	0	111.9	K659 W666 N667	K659-M663 HydrophobicContact CG-CG 4.35Å; K659-M663 VanDerWaalsContact O-CB 3.22Å; K659-M663 WeakPolarHBondContact O-CB 3.47Å; K659-M663 WeakPolarHBondContact O-CG 3.33Å; K659-M663 PolarHBondContact O-N 3.14Å; M663-W666 PolarHBondContact O-N 3.4Å; M663-N667 WeakPolarHBondContact O-CB 3.43Å; M663-N667 PolarHBondContact O-N 3.32Å; M663-N667 PolarHBondContact O-ND2 3.45Å; M663-N667 PolarHBondContact O-OD1 2.89Å
664	A	84.1	Confident	86.5	Confident	56 Å²	56	77.4 Å²	77.4	46%	0.463	38%	0.382	S	S	.	.	H	α-helix	trans	-63.4	-43.4	173.7	0	0	0	0	0	112.2	R660 L661 N667 T668	R660-A664 WeakPolarHBondContact O-CB 3.32Å; R660-A664 PolarHBondContact O-N 2.88Å; R660-A664 VanDerWaalsContact O-N 3.14Å; L661-A664 PolarHBondContact O-N 3.26Å; A664-N667 PolarHBondContact O-N 2.88Å; A664-T668 PolarHBondContact O-N 2.84Å
665	I	85.3	Confident	86.6	Confident	87 Å²	87	78 Å²	78	45%	0.446	39%	0.386	S	S	.	.	H	α-helix	trans	-66.5	-40.6	175.4	-65.7	164.5	0	0	0	111.2	L661 T662 N667 T668 I669	L661-I665 HydrophobicContact CG-CD1 4.27Å; L661-I665 WeakPolarHBondContact O-CG1 3.18Å; L661-I665 PolarHBondContact O-N 2.91Å; L661-I665 VanDerWaalsContact O-N 3.13Å; T662-I665 PolarHBondContact O-N 2.93Å; I665-N667 PolarHBondContact O-N 3.39Å; I665-T668 PolarHBondContact O-N 3.43Å; I665-T668 PolarHBondContact O-OG1 3.02Å; I665-I669 HydrophobicContact CG2-CD1 3.8Å; I665-I669 HydrophobicContact CG2-CG1 4.49Å; I665-I669 VanDerWaalsContact O-CG1 3.3Å; I665-I669 WeakPolarHBondContact O-CG1 3.45Å; I665-I669 PolarHBondContact O-N 3.11Å
666	W	87.8	Confident	86.6	Confident	145 Å²	145	82.3 Å²	82.3	55%	0.549	40%	0.4	S	S	.	.	H	α-helix	trans	-63.1	-43	176.9	-173.2	-105.7	0	0	0	111.2	T662 M663 T668 I669 Q670	T662-W666 VanDerWaalsContact O-CB 3.28Å; T662-W666 WeakPolarHBondContact O-CB 3.27Å; T662-W666 PolarHBondContact O-N 3.41Å; M663-W666 PolarHBondContact O-N 3.4Å; W666-T668 PolarHBondContact O-N 2.96Å; W666-I669 PolarHBondContact O-N 2.84Å; W666-Q670 HydrophobicContact CD2-CG 4.49Å; W666-Q670 VanDerWaalsContact CE2-NE2 3.28Å; W666-Q670 HydrophobicContact CG-CG 4.43Å; W666-Q670 WeakPolarHBondContact O-CB 3.28Å; W666-Q670 WeakPolarHBondContact O-CG 3.23Å; W666-Q670 PolarHBondContact O-N 3.33Å
667	N	89.3	Confident	86.7	Confident	101 Å²	101	84.3 Å²	84.3	54%	0.54	41%	0.407	S	S	.	.	H	α-helix	trans	-64.3	-36.3	178.1	-70.9	-9.6	0	0	0	112.6	M663 A664 I665 F671	M663-N667 WeakPolarHBondContact O-CB 3.43Å; M663-N667 PolarHBondContact O-N 3.32Å; M663-N667 PolarHBondContact O-ND2 3.45Å; M663-N667 PolarHBondContact O-OD1 2.89Å; A664-N667 PolarHBondContact O-N 2.88Å; I665-N667 PolarHBondContact O-N 3.39Å; N667-F671 WeakPolarHBondContact O-CB 3.18Å; N667-F671 PolarHBondContact O-N 3.19Å
668	T	85.3	Confident	86.8	Confident	75 Å²	75	89.7 Å²	89.7	46%	0.46	43%	0.427	S	S	.	.	H	α-helix	trans	-71.5	-39.2	173.3	57.8	0	0	0	0	112.1	A664 I665 W666 F671 F672	A664-T668 PolarHBondContact O-N 2.84Å; I665-T668 PolarHBondContact O-N 3.43Å; I665-T668 PolarHBondContact O-OG1 3.02Å; W666-T668 PolarHBondContact O-N 2.96Å; T668-F671 WeakPolarHBondContact O-CB 3.27Å; T668-F671 PolarHBondContact O-N 3.3Å; T668-F672 WeakPolarHBondContact O-CD2 3.29Å; T668-F672 PolarHBondContact O-N 2.73Å
669	I	87.3	Confident	86.8	Confident	86 Å²	86	94.7 Å²	94.7	44%	0.441	45%	0.449	S	S	.	.	H	α-helix	trans	-62	-43.1	173.6	-68.6	168.8	0	0	0	111.1	I665 W666 F672 K673	I665-I669 HydrophobicContact CG2-CD1 3.8Å; I665-I669 HydrophobicContact CG2-CG1 4.49Å; I665-I669 VanDerWaalsContact O-CG1 3.3Å; I665-I669 WeakPolarHBondContact O-CG1 3.45Å; I665-I669 PolarHBondContact O-N 3.11Å; W666-I669 PolarHBondContact O-N 2.84Å; I669-F672 PolarHBondContact O-N 2.85Å; I669-K673 VanDerWaalsContact O-CB 3.31Å; I669-K673 WeakPolarHBondContact O-CB 3.45Å; I669-K673 PolarHBondContact O-N 2.82Å
670	Q	86.9	Confident	86.8	Confident	61 Å²	61	90.5 Å²	90.5	29%	0.285	44%	0.436	S	S	.	.	H	α-helix	trans	-66.2	-35.9	175	-68	-61.7	-18	0	0	111.9	W666 K673 S674	W666-Q670 HydrophobicContact CD2-CG 4.49Å; W666-Q670 VanDerWaalsContact CE2-NE2 3.28Å; W666-Q670 HydrophobicContact CG-CG 4.43Å; W666-Q670 WeakPolarHBondContact O-CB 3.28Å; W666-Q670 WeakPolarHBondContact O-CG 3.23Å; W666-Q670 PolarHBondContact O-N 3.33Å; Q670-K673 PolarHBondContact O-N 3.22Å; Q670-S674 VanDerWaalsContact O-CB 3.25Å; Q670-S674 WeakPolarHBondContact O-CB 3.42Å; Q670-S674 PolarHBondContact O-N 2.88Å
671	F	86.8	Confident	87	Confident	112 Å²	112	88.1 Å²	88.1	49%	0.491	44%	0.438	S	S	.	.	H	α-helix	trans	-62	-46.1	172.6	176.4	-94.6	0	0	0	112.3	N667 T668 S674 C675	N667-F671 WeakPolarHBondContact O-CB 3.18Å; N667-F671 PolarHBondContact O-N 3.19Å; T668-F671 WeakPolarHBondContact O-CB 3.27Å; T668-F671 PolarHBondContact O-N 3.3Å; F671-S674 WeakPolarHBondContact O-CB 3.5Å; F671-S674 PolarHBondContact O-N 3.49Å; F671-C675 PolarHBondContact O-N 2.93Å; F671-C675 PolarHBondContact O-SG 3.35Å
672	F	86.8	Confident	87.2	Confident	119 Å²	119	91.6 Å²	91.6	52%	0.522	46%	0.456	S	S	.	.	H	α-helix	trans	-62.6	-42.7	174.1	-74	-63.7	0	0	0	111.9	T668 I669 C675 F676	T668-F672 WeakPolarHBondContact O-CD2 3.29Å; T668-F672 PolarHBondContact O-N 2.73Å; I669-F672 PolarHBondContact O-N 2.85Å; F672-C675 WeakPolarHBondContact O-CB 3.4Å; F672-C675 PolarHBondContact O-N 3.13Å; F672-F676 HydrophobicContact CB-CE2 4.25Å; F672-F676 WeakPolarHBondContact O-CD2 3.33Å; F672-F676 WeakPolarHBondContact O-CG 3.49Å; F672-F676 PolarHBondContact O-N 2.91Å
673	K	87.3	Confident	87.3	Confident	90 Å²	90	95.1 Å²	95.1	39%	0.391	46%	0.462	S	S	.	.	H	α-helix	trans	-61.9	-42.6	176.5	179.8	171.8	163	-65.1	0	112.2	I669 Q670 C675 F676 Q677	I669-K673 VanDerWaalsContact O-CB 3.31Å; I669-K673 WeakPolarHBondContact O-CB 3.45Å; I669-K673 PolarHBondContact O-N 2.82Å; Q670-K673 PolarHBondContact O-N 3.22Å; K673-C675 VanDerWaalsContact C-N 3.32Å; K673-C675 PolarHBondContact O-N 2.87Å; K673-F676 PolarHBondContact O-N 3.35Å; K673-Q677 HydrophobicContact CG-CG 4.41Å; K673-Q677 VanDerWaalsContact CG-OE1 3.25Å; K673-Q677 WeakPolarHBondContact O-CB 3.45Å; K673-Q677 WeakPolarHBondContact O-CG 3.34Å; K673-Q677 PolarHBondContact O-N 3.04Å
674	S	88.6	Confident	87.5	Confident	22 Å²	22	90.5 Å²	90.5	15%	0.154	44%	0.439	C	S	.	.	H	α-helix	trans	-57.8	-42.8	172.8	-175.8	0	0	0	0	111.7	Q670 F671 Q677 W678 E679	Q670-S674 VanDerWaalsContact O-CB 3.25Å; Q670-S674 WeakPolarHBondContact O-CB 3.42Å; Q670-S674 PolarHBondContact O-N 2.88Å; F671-S674 WeakPolarHBondContact O-CB 3.5Å; F671-S674 PolarHBondContact O-N 3.49Å; S674-Q677 PolarHBondContact O-N 2.91Å; S674-W678 PolarHBondContact O-N 2.9Å; S674-E679 WeakPolarHBondContact CA-OE2 3.3Å; S674-E679 WeakPolarHBondContact CB-OE2 3.27Å; S674-E679 PolarHBondContact O-N 3.01Å; S674-E679 PolarHBondContact OG-OE2 3.46Å
675	C	85.9	Confident	87.8	Confident	13 Å²	13	90.9 Å²	90.9	9%	0.088	44%	0.436	C	S	.	.	H	α-helix	trans	-64.3	-42.6	174.8	-63.9	0	0	0	0	112.3	F671 F672 K673 W678 S684 A687	F671-C675 PolarHBondContact O-N 2.93Å; F671-C675 PolarHBondContact O-SG 3.35Å; F672-C675 WeakPolarHBondContact O-CB 3.4Å; F672-C675 PolarHBondContact O-N 3.13Å; K673-C675 VanDerWaalsContact C-N 3.32Å; K673-C675 PolarHBondContact O-N 2.87Å; C675-W678 PolarHBondContact O-N 3.31Å; C675-S684 WeakPolarHBondContact CA-OG 3.34Å; C675-S684 WeakPolarHBondContact O-CB 3.42Å; C675-S684 PolarHBondContact O-OG 2.91Å; C675-A687 HydrophobicContact CB-CB 4.28Å
676	F	85.6	Confident	88	Confident	162 Å²	162	90.9 Å²	90.9	71%	0.711	44%	0.439	S	S	*	.	H	α-helix	trans	-71.3	-27.5	176.4	-66.1	-51.4	0	0	0	113.8	F672 K673 W678	F672-F676 HydrophobicContact CB-CE2 4.25Å; F672-F676 WeakPolarHBondContact O-CD2 3.33Å; F672-F676 WeakPolarHBondContact O-CG 3.49Å; F672-F676 PolarHBondContact O-N 2.91Å; K673-F676 PolarHBondContact O-N 3.35Å; F676-W678 VanDerWaalsContact C-N 3.34Å; F676-W678 VanDerWaalsContact O-CD1 3.32Å
677	Q	88.8	Confident	88	Confident	107 Å²	107	85.9 Å²	85.9	50%	0.5	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	2.7	177.2	-68.7	-167.4	-99.5	0	0	113.8	K673 S674 E679	K673-Q677 HydrophobicContact CG-CG 4.41Å; K673-Q677 VanDerWaalsContact CG-OE1 3.25Å; K673-Q677 WeakPolarHBondContact O-CB 3.45Å; K673-Q677 WeakPolarHBondContact O-CG 3.34Å; K673-Q677 PolarHBondContact O-N 3.04Å; S674-Q677 PolarHBondContact O-N 2.91Å; Q677-E679 HydrophobicContact CB-CG 4.14Å; Q677-E679 PolarHBondContact O-N 2.86Å
678	W	88.6	Confident	88	Confident	124 Å²	124	86 Å²	86	47%	0.47	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	23.5	176.8	-65.8	80.3	0	0	0	115.4	S674 C675 F676 S680 S684 T685	S674-W678 PolarHBondContact O-N 2.9Å; C675-W678 PolarHBondContact O-N 3.31Å; F676-W678 VanDerWaalsContact C-N 3.34Å; F676-W678 VanDerWaalsContact O-CD1 3.32Å; W678-S680 PolarHBondContact O-N 2.86Å; W678-S680 VanDerWaalsContact O-N 3.1Å; W678-S684 WeakPolarHBondContact CA-OG 3.4Å; W678-S684 VanDerWaalsContact CE3-CB 3.42Å; W678-T685 HydrophobicContact CH2-CG2 4.29Å; W678-T685 HydrophobicContact CZ3-CG2 3.77Å
679	E	86.6	Confident	88.2	Confident	127 Å²	127	86.5 Å²	86.5	59%	0.593	43%	0.428	S	S	*	.	S	Bend	trans	-59.2	-25.1	-179.5	-62.8	177.3	169.4	0	0	113.1	S674 Q677	S674-E679 WeakPolarHBondContact CA-OE2 3.3Å; S674-E679 WeakPolarHBondContact CB-OE2 3.27Å; S674-E679 PolarHBondContact O-N 3.01Å; S674-E679 PolarHBondContact OG-OE2 3.46Å; Q677-E679 HydrophobicContact CB-CG 4.14Å; Q677-E679 PolarHBondContact O-N 2.86Å
680	S	88.5	Confident	88.2	Confident	37 Å²	37	86.4 Å²	86.4	26%	0.259	43%	0.431	S	S	.	.	S	Bend	trans	-133.3	103.4	169.6	-178.9	0	0	0	0	109.3	W678 L682 R683 S684	W678-S680 PolarHBondContact O-N 2.86Å; W678-S680 VanDerWaalsContact O-N 3.1Å; S680-L682 VanDerWaalsContact C-N 3.31Å; S680-L682 PolarHBondContact O-N 3.19Å; S680-R683 PolarHBondContact O-N 2.87Å; S680-S684 PolarHBondContact O-N 2.81Å; S680-S684 PolarHBondContact O-OG 2.73Å
681	T	89.9	Confident	88.3	Confident	103 Å²	103	89.1 Å²	89.1	63%	0.632	44%	0.442	S	S	*	.	H	α-helix	trans	-50	-47.5	-176.4	52	0	0	0	0	112.8	R683 S684 T685	T681-R683 PolarHBondContact O-N 3.33Å; T681-S684 PolarHBondContact O-N 3.39Å; T681-T685 WeakPolarHBondContact O-CG2 3.15Å; T681-T685 PolarHBondContact O-N 2.9Å; T681-T685 PolarHBondContact O-OG1 2.89Å; T681-T685 VanDerWaalsContact O-OG1 3.13Å
682	L	89.6	Confident	88.3	Confident	124 Å²	124	87.9 Å²	87.9	65%	0.649	44%	0.44	S	S	*	.	H	α-helix	trans	-64.7	-37.4	180	-176.3	150	0	0	0	113.3	S680 T685 V686	S680-L682 VanDerWaalsContact C-N 3.31Å; S680-L682 PolarHBondContact O-N 3.19Å; L682-T685 PolarHBondContact O-OG1 2.69Å; L682-V686 VanDerWaalsContact O-CG2 3.27Å; L682-V686 WeakPolarHBondContact O-CG2 3.43Å; L682-V686 PolarHBondContact O-N 3.08Å
683	R	86.4	Confident	88.3	Confident	146 Å²	146	86.4 Å²	86.4	55%	0.551	44%	0.441	S	S	*	.	H	α-helix	trans	-71.6	-40.9	176.2	-65.5	179.1	-177.2	152.9	1.9	110.7	S680 T681 V686 A687	S680-R683 PolarHBondContact O-N 2.87Å; T681-R683 PolarHBondContact O-N 3.33Å; R683-V686 PolarHBondContact O-N 3.19Å; R683-A687 VanDerWaalsContact O-CB 3.29Å; R683-A687 WeakPolarHBondContact O-CB 3.3Å; R683-A687 PolarHBondContact O-N 3.16Å
684	S	91.6	Very high	88.2	Confident	3 Å²	3	85.4 Å²	85.4	2%	0.021	44%	0.442	C	S	.	.	H	α-helix	trans	-69.5	-39.7	-179.7	-63.7	0	0	0	0	113.1	C675 W678 S680 T681 A687 F688	C675-S684 WeakPolarHBondContact CA-OG 3.34Å; C675-S684 WeakPolarHBondContact O-CB 3.42Å; C675-S684 PolarHBondContact O-OG 2.91Å; W678-S684 WeakPolarHBondContact CA-OG 3.4Å; W678-S684 VanDerWaalsContact CE3-CB 3.42Å; S680-S684 PolarHBondContact O-N 2.81Å; S680-S684 PolarHBondContact O-OG 2.73Å; T681-S684 PolarHBondContact O-N 3.39Å; S684-A687 PolarHBondContact O-N 2.89Å; S684-F688 WeakPolarHBondContact O-CB 3.31Å; S684-F688 PolarHBondContact O-N 2.84Å
685	T	90.9	Very high	88.2	Confident	65 Å²	65	88.4 Å²	88.4	40%	0.399	46%	0.459	S	S	.	.	H	α-helix	trans	-64.1	-45	172.9	51.9	0	0	0	0	111.5	W678 T681 L682 F688 V689	W678-T685 HydrophobicContact CH2-CG2 4.29Å; W678-T685 HydrophobicContact CZ3-CG2 3.77Å; T681-T685 WeakPolarHBondContact O-CG2 3.15Å; T681-T685 PolarHBondContact O-N 2.9Å; T681-T685 PolarHBondContact O-OG1 2.89Å; T681-T685 VanDerWaalsContact O-OG1 3.13Å; L682-T685 PolarHBondContact O-OG1 2.69Å; T685-F688 PolarHBondContact O-N 2.97Å; T685-V689 WeakPolarHBondContact O-CB 3.49Å; T685-V689 WeakPolarHBondContact O-CG2 3.31Å; T685-V689 PolarHBondContact O-N 2.8Å
686	V	89.9	Confident	88.3	Confident	86 Å²	86	98.6 Å²	98.6	52%	0.521	50%	0.496	S	S	.	.	H	α-helix	trans	-61.9	-47.1	176.5	171.2	0	0	0	0	111	L682 R683 F688 V689 V690	L682-V686 VanDerWaalsContact O-CG2 3.27Å; L682-V686 WeakPolarHBondContact O-CG2 3.43Å; L682-V686 PolarHBondContact O-N 3.08Å; R683-V686 PolarHBondContact O-N 3.19Å; V686-F688 VanDerWaalsContact C-N 3.33Å; V686-F688 PolarHBondContact O-N 3.44Å; V686-V689 PolarHBondContact O-N 2.74Å; V686-V690 HydrophobicContact CG1-CG2 4.48Å; V686-V690 WeakPolarHBondContact O-CB 3.18Å; V686-V690 VanDerWaalsContact O-CG2 3.29Å; V686-V690 WeakPolarHBondContact O-CG2 3.14Å; V686-V690 PolarHBondContact O-N 2.94Å
687	A	87.5	Confident	88.2	Confident	41 Å²	41	95.3 Å²	95.3	34%	0.339	49%	0.486	S	S	.	.	H	α-helix	trans	-61.6	-39.1	176.7	0	0	0	0	0	112.5	C675 R683 S684 F691	C675-A687 HydrophobicContact CB-CB 4.28Å; R683-A687 VanDerWaalsContact O-CB 3.29Å; R683-A687 WeakPolarHBondContact O-CB 3.3Å; R683-A687 PolarHBondContact O-N 3.16Å; S684-A687 PolarHBondContact O-N 2.89Å; A687-F691 VanDerWaalsContact O-CB 3.27Å; A687-F691 WeakPolarHBondContact O-CB 3.43Å; A687-F691 PolarHBondContact O-N 2.86Å
688	F	88.4	Confident	88	Confident	104 Å²	104	95.5 Å²	95.5	46%	0.456	49%	0.485	S	S	.	.	H	α-helix	trans	-69.4	-42.3	177.8	-178.8	-112.5	0	0	0	112.7	S684 T685 V686 F691 L692	S684-F688 WeakPolarHBondContact O-CB 3.31Å; S684-F688 PolarHBondContact O-N 2.84Å; T685-F688 PolarHBondContact O-N 2.97Å; V686-F688 VanDerWaalsContact C-N 3.33Å; V686-F688 PolarHBondContact O-N 3.44Å; F688-F691 WeakPolarHBondContact O-CB 3.49Å; F688-F691 PolarHBondContact O-N 3.18Å; F688-L692 HydrophobicContact CD1-CD1 4.05Å; F688-L692 HydrophobicContact CE1-CD1 3.55Å; F688-L692 HydrophobicContact CE1-CG 4.27Å; F688-L692 HydrophobicContact CE2-CD1 4.4Å; F688-L692 HydrophobicContact CE2-CD2 4.4Å; F688-L692 HydrophobicContact CE2-CG 4.28Å; F688-L692 HydrophobicContact CZ-CD1 3.75Å; F688-L692 HydrophobicContact CZ-CD2 4.26Å; F688-L692 HydrophobicContact CZ-CG 4.1Å; F688-L692 WeakPolarHBondContact O-CG 3.34Å; F688-L692 PolarHBondContact O-N 3.26Å
689	V	90.1	Very high	87.9	Confident	84 Å²	84	94.6 Å²	94.6	51%	0.509	49%	0.486	S	S	.	.	H	α-helix	trans	-64.4	-44.6	174.5	170.5	0	0	0	0	110.7	T685 V686 F691 L692 V693	T685-V689 WeakPolarHBondContact O-CB 3.49Å; T685-V689 WeakPolarHBondContact O-CG2 3.31Å; T685-V689 PolarHBondContact O-N 2.8Å; V686-V689 PolarHBondContact O-N 2.74Å; V689-F691 VanDerWaalsContact C-N 3.32Å; V689-F691 PolarHBondContact O-N 2.89Å; V689-L692 PolarHBondContact O-N 2.89Å; V689-V693 HydrophobicContact CG1-CG2 4.46Å; V689-V693 WeakPolarHBondContact O-CB 3.35Å; V689-V693 WeakPolarHBondContact O-CG2 3.26Å; V689-V693 PolarHBondContact O-N 3.02Å
690	V	88.3	Confident	87.8	Confident	85 Å²	85	92.4 Å²	92.4	52%	0.515	48%	0.479	S	S	.	.	H	α-helix	trans	-60.2	-42.6	174	169.4	0	0	0	0	111	V686 T694	V686-V690 HydrophobicContact CG1-CG2 4.48Å; V686-V690 WeakPolarHBondContact O-CB 3.18Å; V686-V690 VanDerWaalsContact O-CG2 3.29Å; V686-V690 WeakPolarHBondContact O-CG2 3.14Å; V686-V690 PolarHBondContact O-N 2.94Å; V690-T694 WeakPolarHBondContact O-CB 3.43Å; V690-T694 PolarHBondContact O-N 2.91Å; V690-T694 PolarHBondContact O-OG1 3.44Å
691	F	87.5	Confident	87.7	Confident	117 Å²	117	92.4 Å²	92.4	51%	0.513	47%	0.473	S	S	.	.	H	α-helix	trans	-60.7	-49.4	175.5	172.5	-99.2	0	0	0	112.3	A687 F688 V689 T694 V695	A687-F691 VanDerWaalsContact O-CB 3.27Å; A687-F691 WeakPolarHBondContact O-CB 3.43Å; A687-F691 PolarHBondContact O-N 2.86Å; F688-F691 WeakPolarHBondContact O-CB 3.49Å; F688-F691 PolarHBondContact O-N 3.18Å; V689-F691 VanDerWaalsContact C-N 3.32Å; V689-F691 PolarHBondContact O-N 2.89Å; F691-T694 PolarHBondContact O-N 2.93Å; F691-V695 HydrophobicContact CD2-CG2 3.94Å; F691-V695 HydrophobicContact CE1-CG2 4.27Å; F691-V695 HydrophobicContact CE2-CG2 3.6Å; F691-V695 HydrophobicContact CG-CG2 4.41Å; F691-V695 HydrophobicContact CZ-CG2 3.79Å; F691-V695 WeakPolarHBondContact O-CB 3.43Å; F691-V695 WeakPolarHBondContact O-CG2 3.31Å; F691-V695 PolarHBondContact O-N 3.39Å
692	L	88.3	Confident	87.6	Confident	87 Å²	87	90.6 Å²	90.6	46%	0.455	46%	0.458	S	S	.	.	H	α-helix	trans	-59.5	-48.6	178.1	-73.1	177.6	0	0	0	111.9	F688 V689 T694 V695 W696	F688-L692 HydrophobicContact CD1-CD1 4.05Å; F688-L692 HydrophobicContact CE1-CD1 3.55Å; F688-L692 HydrophobicContact CE1-CG 4.27Å; F688-L692 HydrophobicContact CE2-CD1 4.4Å; F688-L692 HydrophobicContact CE2-CD2 4.4Å; F688-L692 HydrophobicContact CE2-CG 4.28Å; F688-L692 HydrophobicContact CZ-CD1 3.75Å; F688-L692 HydrophobicContact CZ-CD2 4.26Å; F688-L692 HydrophobicContact CZ-CG 4.1Å; F688-L692 WeakPolarHBondContact O-CG 3.34Å; F688-L692 PolarHBondContact O-N 3.26Å; V689-L692 PolarHBondContact O-N 2.89Å; L692-T694 VanDerWaalsContact C-N 3.33Å; L692-T694 PolarHBondContact O-N 3.36Å; L692-V695 PolarHBondContact O-N 3.1Å; L692-W696 VanDerWaalsContact O-CB 3.31Å; L692-W696 WeakPolarHBondContact O-CB 3.36Å; L692-W696 PolarHBondContact O-N 3.19Å
693	V	86.8	Confident	87.6	Confident	87 Å²	87	89 Å²	89	53%	0.527	45%	0.449	S	S	.	.	H	α-helix	trans	-63.3	-40.3	178.1	173	0	0	0	0	111.2	V689 N697	V689-V693 HydrophobicContact CG1-CG2 4.46Å; V689-V693 WeakPolarHBondContact O-CB 3.35Å; V689-V693 WeakPolarHBondContact O-CG2 3.26Å; V689-V693 PolarHBondContact O-N 3.02Å; V693-N697 PolarHBondContact O-N 3.47Å; V693-N697 PolarHBondContact O-ND2 2.89Å
694	T	85.1	Confident	87.7	Confident	69 Å²	69	82.8 Å²	82.8	42%	0.423	43%	0.428	S	S	.	.	H	α-helix	trans	-65.7	-50	178.7	-57.7	0	0	0	0	110.9	V690 F691 L692 W696 N697 F698	V690-T694 WeakPolarHBondContact O-CB 3.43Å; V690-T694 PolarHBondContact O-N 2.91Å; V690-T694 PolarHBondContact O-OG1 3.44Å; F691-T694 PolarHBondContact O-N 2.93Å; L692-T694 VanDerWaalsContact C-N 3.33Å; L692-T694 PolarHBondContact O-N 3.36Å; T694-W696 PolarHBondContact O-N 3.5Å; T694-N697 CarbonylContact O-C 3.38Å; T694-N697 PolarHBondContact O-N 2.84Å; T694-F698 HydrophobicContact CG2-CD2 4.16Å; T694-F698 WeakPolarHBondContact O-CA 3.44Å; T694-F698 VanDerWaalsContact O-CB 3.31Å; T694-F698 WeakPolarHBondContact O-CB 3.31Å; T694-F698 PolarHBondContact O-N 3Å
695	V	87.4	Confident	87.5	Confident	85 Å²	85	85.5 Å²	85.5	52%	0.515	44%	0.442	S	S	.	.	H	α-helix	trans	-65.3	-37.8	-178	171.5	0	0	0	0	111.8	F691 L692 N697 F698	F691-V695 HydrophobicContact CD2-CG2 3.94Å; F691-V695 HydrophobicContact CE1-CG2 4.27Å; F691-V695 HydrophobicContact CE2-CG2 3.6Å; F691-V695 HydrophobicContact CG-CG2 4.41Å; F691-V695 HydrophobicContact CZ-CG2 3.79Å; F691-V695 WeakPolarHBondContact O-CB 3.43Å; F691-V695 WeakPolarHBondContact O-CG2 3.31Å; F691-V695 PolarHBondContact O-N 3.39Å; L692-V695 PolarHBondContact O-N 3.1Å; V695-N697 VanDerWaalsContact C-N 3.27Å; V695-N697 PolarHBondContact O-N 3.48Å; V695-F698 PolarHBondContact O-N 2.96Å
696	W	88.3	Confident	87.4	Confident	227 Å²	227	84.9 Å²	84.9	86%	0.86	44%	0.444	S	S	*	.	H	α-helix	trans	-65.2	-29.7	177.2	-169.7	-83	0	0	0	113.1	L692 T694	L692-W696 VanDerWaalsContact O-CB 3.31Å; L692-W696 WeakPolarHBondContact O-CB 3.36Å; L692-W696 PolarHBondContact O-N 3.19Å; T694-W696 PolarHBondContact O-N 3.5Å
697	N	83.8	Confident	87.3	Confident	93 Å²	93	84.2 Å²	84.2	50%	0.497	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	26.4	-177.8	-57	-85.2	0	0	0	112.1	V693 T694 V695 E699	V693-N697 PolarHBondContact O-N 3.47Å; V693-N697 PolarHBondContact O-ND2 2.89Å; T694-N697 CarbonylContact O-C 3.38Å; T694-N697 PolarHBondContact O-N 2.84Å; V695-N697 VanDerWaalsContact C-N 3.27Å; V695-N697 PolarHBondContact O-N 3.48Å; N697-E699 PolarHBondContact O-N 2.9Å; N697-E699 VanDerWaalsContact O-N 3.14Å
698	F	85	Confident	87.4	Confident	111 Å²	111	83.8 Å²	83.8	49%	0.487	43%	0.428	S	S	.	.			trans	-82.7	95.6	-170.6	-167.1	-102.9	0	0	0	113.1	T694 V695 I703	T694-F698 HydrophobicContact CG2-CD2 4.16Å; T694-F698 WeakPolarHBondContact O-CA 3.44Å; T694-F698 VanDerWaalsContact O-CB 3.31Å; T694-F698 WeakPolarHBondContact O-CB 3.31Å; T694-F698 PolarHBondContact O-N 3Å; V695-F698 PolarHBondContact O-N 2.96Å; F698-I703 HydrophobicContact CE1-CD1 4.42Å; F698-I703 HydrophobicContact CE2-CG1 4.29Å; F698-I703 HydrophobicContact CZ-CD1 3.86Å; F698-I703 HydrophobicContact CZ-CG1 3.69Å
699	E	86.7	Confident	87.4	Confident	105 Å²	105	83.4 Å²	83.4	49%	0.491	43%	0.43	S	S	.	.			trans	-102.1	151.1	169.8	-64.1	-166.3	-91.7	0	0	112.3	N697 Y701 M702	N697-E699 PolarHBondContact O-N 2.9Å; N697-E699 VanDerWaalsContact O-N 3.14Å; E699-Y701 VanDerWaalsContact C-N 3.3Å; E699-Y701 HydrophobicContact CB-CD1 3.8Å; E699-Y701 HydrophobicContact CB-CE1 3.36Å; E699-Y701 HydrophobicContact CG-CE1 3.99Å; E699-Y701 PolarHBondContact O-N 3.12Å; E699-Y701 VanDerWaalsContact OE1-CE1 3.25Å; E699-Y701 WeakPolarHBondContact OE1-CE1 3.07Å; E699-Y701 PolarHBondContact OE1-OH 3.4Å; E699-M702 HydrophobicContact CB-CG 4.45Å; E699-M702 WeakPolarHBondContact O-CB 3.49Å; E699-M702 VanDerWaalsContact O-CG 3.3Å; E699-M702 WeakPolarHBondContact O-CG 3.47Å; E699-M702 PolarHBondContact O-N 3.41Å
700	L	84	Confident	87.2	Confident	82 Å²	82	83.6 Å²	83.6	43%	0.429	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-29.2	-170.4	-71.3	162.2	0	0	0	114.2	M702 I703 L805 L810	L700-M702 PolarHBondContact O-N 3.35Å; L700-I703 PolarHBondContact O-N 3.23Å; L700-L805 HydrophobicContact CB-CD2 4.4Å; L700-L810 HydrophobicContact CD1-CB 3.73Å; L700-L810 HydrophobicContact CD1-CD1 3.76Å; L700-L810 HydrophobicContact CD1-CG 4.26Å; L700-L810 HydrophobicContact CD2-CD1 4.37Å
701	Y	86.7	Confident	87.1	Confident	37 Å²	37	79.8 Å²	79.8	15%	0.145	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-16.3	174.2	66.5	-98.7	0	0	0	113	E699 I703 P704 L705 Y806	E699-Y701 VanDerWaalsContact C-N 3.3Å; E699-Y701 HydrophobicContact CB-CD1 3.8Å; E699-Y701 HydrophobicContact CB-CE1 3.36Å; E699-Y701 HydrophobicContact CG-CE1 3.99Å; E699-Y701 PolarHBondContact O-N 3.12Å; E699-Y701 VanDerWaalsContact OE1-CE1 3.25Å; E699-Y701 WeakPolarHBondContact OE1-CE1 3.07Å; E699-Y701 PolarHBondContact OE1-OH 3.4Å; Y701-I703 PolarHBondContact O-N 2.85Å; Y701-P704 WeakPolarHBondContact O-CD 3.32Å; Y701-L705 WeakPolarHBondContact O-CB 3.32Å; Y701-L705 PolarHBondContact O-N 3.35Å; Y701-Y806 AromaticContact CD1-CD2 3.86Å; Y701-Y806 HydrophobicContact CD1-CD2 3.86Å; Y701-Y806 AromaticContact CE1-CD2 3.64Å; Y701-Y806 HydrophobicContact CE1-CD2 3.64Å; Y701-Y806 HydrophobicContact CE1-CE2 4.27Å; Y701-Y806 HydrophobicContact CE2-CD2 4.38Å; Y701-Y806 HydrophobicContact CG-CD2 4.33Å; Y701-Y806 AromaticContact CZ-CD2 3.95Å
702	M	88.4	Confident	86.9	Confident	64 Å²	64	77.9 Å²	77.9	32%	0.315	40%	0.399	S	S	.	.	H	α-helix	trans	-65.4	-24	175	-62.4	-65.9	-170.2	0	0	112	E699 L700 L705 A706	E699-M702 HydrophobicContact CB-CG 4.45Å; E699-M702 WeakPolarHBondContact O-CB 3.49Å; E699-M702 VanDerWaalsContact O-CG 3.3Å; E699-M702 WeakPolarHBondContact O-CG 3.47Å; E699-M702 PolarHBondContact O-N 3.41Å; L700-M702 PolarHBondContact O-N 3.35Å; M702-L705 HydrophobicContact SD-CD2 3.97Å; M702-A706 VanDerWaalsContact O-CB 3.27Å; M702-A706 WeakPolarHBondContact O-CB 3.39Å; M702-A706 PolarHBondContact O-N 3.17Å
703	I	88.5	Confident	86.9	Confident	90 Å²	90	80.4 Å²	80.4	46%	0.462	40%	0.403	S	S	.	.	H	α-helix	trans	-68.7	-56.3	-179.3	-53.8	172.3	0	0	0	110.9	F698 L700 Y701 L705 A706 M707	F698-I703 HydrophobicContact CE1-CD1 4.42Å; F698-I703 HydrophobicContact CE2-CG1 4.29Å; F698-I703 HydrophobicContact CZ-CD1 3.86Å; F698-I703 HydrophobicContact CZ-CG1 3.69Å; L700-I703 PolarHBondContact O-N 3.23Å; Y701-I703 PolarHBondContact O-N 2.85Å; I703-L705 VanDerWaalsContact C-N 3.25Å; I703-L705 PolarHBondContact O-N 2.86Å; I703-A706 PolarHBondContact O-N 3.17Å; I703-M707 WeakPolarHBondContact O-CG 3.02Å; I703-M707 PolarHBondContact O-N 3.14Å
704	P	87.8	Confident	86.7	Confident	16 Å²	16	77.9 Å²	77.9	10%	0.104	39%	0.387	C	S	.	.	H	α-helix	trans	-66.1	-28	175.1	-20.2	35	0	0	0	112.8	Y701 M707 L708 L798 A801 T802 L805	Y701-P704 WeakPolarHBondContact O-CD 3.32Å; P704-M707 PolarHBondContact O-N 3.4Å; P704-L708 WeakPolarHBondContact O-CB 3.26Å; P704-L708 PolarHBondContact O-N 3.07Å; P704-L798 HydrophobicContact CB-CD2 3.86Å; P704-A801 HydrophobicContact CB-CB 4.24Å; P704-A801 HydrophobicContact CG-CB 4.21Å; P704-T802 HydrophobicContact CB-CG2 3.8Å; P704-L805 HydrophobicContact CG-CD1 3.88Å
705	L	88.3	Confident	86.4	Confident	60 Å²	60	79.7 Å²	79.7	31%	0.314	39%	0.389	S	S	.	.	H	α-helix	trans	-65.7	-44.9	175.8	-173.6	64.2	0	0	0	111.9	Y701 M702 I703 M707 L708 L709 T802	Y701-L705 WeakPolarHBondContact O-CB 3.32Å; Y701-L705 PolarHBondContact O-N 3.35Å; M702-L705 HydrophobicContact SD-CD2 3.97Å; I703-L705 VanDerWaalsContact C-N 3.25Å; I703-L705 PolarHBondContact O-N 2.86Å; L705-M707 VanDerWaalsContact C-N 3.29Å; L705-M707 PolarHBondContact O-N 3.19Å; L705-L708 WeakPolarHBondContact O-CB 3.17Å; L705-L708 PolarHBondContact O-N 3.37Å; L705-L709 WeakPolarHBondContact O-CG 3.33Å; L705-L709 PolarHBondContact O-N 2.9Å; L705-T802 HydrophobicContact CB-CG2 3.76Å; L705-T802 HydrophobicContact CD1-CG2 4.38Å; L705-T802 VanDerWaalsContact N-CG2 3.31Å
706	A	87.9	Confident	85.9	Confident	53 Å²	53	79.9 Å²	79.9	44%	0.438	39%	0.387	S	S	.	.	H	α-helix	trans	-61.8	-37.9	175	0	0	0	0	0	111.7	M702 I703 L709 L710	M702-A706 VanDerWaalsContact O-CB 3.27Å; M702-A706 WeakPolarHBondContact O-CB 3.39Å; M702-A706 PolarHBondContact O-N 3.17Å; I703-A706 PolarHBondContact O-N 3.17Å; A706-L709 PolarHBondContact O-N 3.34Å; A706-L710 PolarHBondContact O-N 3.01Å; A706-L710 VanDerWaalsContact O-N 3.07Å
707	M	88.4	Confident	85.2	Confident	71 Å²	71	77 Å²	77	35%	0.35	38%	0.375	S	S	.	.	H	α-helix	trans	-65.2	-41.4	173.6	-61.8	-60.2	-72.9	0	0	111.8	I703 P704 L705 L709 L710 F711 F783 L798	I703-M707 WeakPolarHBondContact O-CG 3.02Å; I703-M707 PolarHBondContact O-N 3.14Å; P704-M707 PolarHBondContact O-N 3.4Å; L705-M707 VanDerWaalsContact C-N 3.29Å; L705-M707 PolarHBondContact O-N 3.19Å; M707-L709 VanDerWaalsContact C-N 3.35Å; M707-L710 WeakPolarHBondContact O-CB 3.43Å; M707-L710 PolarHBondContact O-N 3.42Å; M707-L710 HydrophobicContact SD-CD1 4.21Å; M707-F711 WeakPolarHBondContact O-CD2 3.44Å; M707-F711 PolarHBondContact O-N 2.97Å; M707-F711 VanDerWaalsContact O-N 3.14Å; M707-F783 HydrophobicContact CE-CE1 3.95Å; M707-F783 HydrophobicContact CE-CE2 4.49Å; M707-F783 HydrophobicContact CE-CZ 3.45Å; M707-F783 VanDerWaalsContact CE-CZ 3.45Å; M707-L798 HydrophobicContact CB-CD1 4.02Å; M707-L798 HydrophobicContact CB-CD2 4.28Å
708	L	89.4	Confident	83.9	Confident	33 Å²	33	77.3 Å²	77.3	17%	0.173	38%	0.383	C	S	.	.	H	α-helix	trans	-63.5	-39.4	174.4	-164.8	158.7	0	0	0	111.5	P704 L705 L710 F711 L712 A799	P704-L708 WeakPolarHBondContact O-CB 3.26Å; P704-L708 PolarHBondContact O-N 3.07Å; L705-L708 WeakPolarHBondContact O-CB 3.17Å; L705-L708 PolarHBondContact O-N 3.37Å; L708-L710 VanDerWaalsContact C-N 3.3Å; L708-L710 PolarHBondContact O-N 3.23Å; L708-F711 WeakPolarHBondContact O-CB 3.41Å; L708-F711 PolarHBondContact O-N 3.2Å; L708-F711 VanDerWaalsContact O-N 3.17Å; L708-L712 PolarHBondContact O-N 3.33Å; L708-A799 HydrophobicContact CD1-CB 3.9Å
709	L	88	Confident	82	Confident	96 Å²	96	79.9 Å²	79.9	50%	0.503	40%	0.398	S	S	.	.	H	α-helix	trans	-63.5	-31.8	173.3	-71.5	172.2	0	0	0	112.8	L705 A706 M707 L712 Y713	L705-L709 WeakPolarHBondContact O-CG 3.33Å; L705-L709 PolarHBondContact O-N 2.9Å; A706-L709 PolarHBondContact O-N 3.34Å; M707-L709 VanDerWaalsContact C-N 3.35Å; L709-L712 HydrophobicContact CD2-CD2 4.43Å; L709-L712 PolarHBondContact O-N 2.79Å; L709-Y713 VanDerWaalsContact O-CB 3.26Å; L709-Y713 WeakPolarHBondContact O-CB 3.35Å; L709-Y713 PolarHBondContact O-N 3.41Å
710	L	86.3	Confident	79.9	Confident	88 Å²	88	84.2 Å²	84.2	46%	0.461	42%	0.416	S	S	.	.	H	α-helix	trans	-68	-41.5	170.9	-68.3	173	0	0	0	112.1	A706 M707 L708 Y713 N714	A706-L710 PolarHBondContact O-N 3.01Å; A706-L710 VanDerWaalsContact O-N 3.07Å; M707-L710 WeakPolarHBondContact O-CB 3.43Å; M707-L710 PolarHBondContact O-N 3.42Å; M707-L710 HydrophobicContact SD-CD1 4.21Å; L708-L710 VanDerWaalsContact C-N 3.3Å; L708-L710 PolarHBondContact O-N 3.23Å; L710-Y713 PolarHBondContact O-N 3.15Å; L710-N714 WeakPolarHBondContact O-CB 3.36Å; L710-N714 PolarHBondContact O-N 3.14Å
711	F	86.3	Confident	77.6	Confident	4 Å²	4	83.3 Å²	83.3	2%	0.018	43%	0.426	C	S	.	.	H	α-helix	trans	-59.4	-46	171.5	-84.9	-83.1	0	0	0	111.5	M707 L708 N714 F715 T782 F783 W785 A794 L798	M707-F711 WeakPolarHBondContact O-CD2 3.44Å; M707-F711 PolarHBondContact O-N 2.97Å; M707-F711 VanDerWaalsContact O-N 3.14Å; L708-F711 WeakPolarHBondContact O-CB 3.41Å; L708-F711 PolarHBondContact O-N 3.2Å; L708-F711 VanDerWaalsContact O-N 3.17Å; F711-N714 PolarHBondContact O-N 3.22Å; F711-F715 WeakPolarHBondContact O-CB 3.23Å; F711-F715 PolarHBondContact O-N 2.86Å; F711-T782 HydrophobicContact CE1-CG2 4.04Å; F711-T782 WeakPolarHBondContact CE1-O 3.23Å; F711-T782 HydrophobicContact CZ-CG2 3.89Å; F711-F783 HydrophobicContact CD1-CD1 4.31Å; F711-F783 AromaticContact CD2-CD1 3.84Å; F711-F783 HydrophobicContact CD2-CD1 3.84Å; F711-F783 AromaticContact CD2-CE1 3.71Å; F711-F783 HydrophobicContact CD2-CE1 3.71Å; F711-F783 HydrophobicContact CE1-CD1 4.13Å; F711-F783 AromaticContact CE2-CD1 3.61Å; F711-F783 HydrophobicContact CE2-CD1 3.61Å; F711-F783 AromaticContact CE2-CE1 3.27Å; F711-F783 HydrophobicContact CE2-CE1 3.27Å; F711-F783 HydrophobicContact CE2-CZ 4.12Å; F711-F783 HydrophobicContact CG-CD1 4.18Å; F711-F783 HydrophobicContact CG-CE1 4.49Å; F711-F783 AromaticContact CZ-CD1 3.77Å; F711-F783 HydrophobicContact CZ-CD1 3.77Å; F711-F783 AromaticContact CZ-CE1 3.76Å; F711-F783 HydrophobicContact CZ-CE1 3.76Å; F711-F783 HydrophobicContact CZ-CG 4.47Å; F711-F783 HydrophobicContact CZ-CZ 4.45Å; F711-W785 HydrophobicContact CB-CZ2 4.15Å; F711-W785 HydrophobicContact CD1-CZ2 4.14Å; F711-W785 PolarHBondContact O-NE1 2.94Å; F711-A794 HydrophobicContact CZ-CB 3.95Å; F711-L798 HydrophobicContact CD2-CD1 3.88Å; F711-L798 HydrophobicContact CE2-CD1 3.64Å
712	L	84.6	Confident	75.5	Confident	78 Å²	78	91.9 Å²	91.9	41%	0.408	46%	0.464	S	S	.	.	H	α-helix	trans	-66.2	-42.8	179.3	-178.2	61.2	0	0	0	112.2	L708 L709 N714 F715 L716	L708-L712 PolarHBondContact O-N 3.33Å; L709-L712 HydrophobicContact CD2-CD2 4.43Å; L709-L712 PolarHBondContact O-N 2.79Å; L712-N714 VanDerWaalsContact C-N 3.35Å; L712-N714 PolarHBondContact O-N 2.73Å; L712-F715 WeakPolarHBondContact O-CB 3.46Å; L712-F715 PolarHBondContact O-N 3.16Å; L712-L716 HydrophobicContact CD1-CD1 3.96Å; L712-L716 HydrophobicContact CD1-CG 4.1Å; L712-L716 HydrophobicContact CG-CD1 3.92Å; L712-L716 HydrophobicContact CG-CG 4.45Å; L712-L716 WeakPolarHBondContact O-CB 3.25Å; L712-L716 VanDerWaalsContact O-CG 3.32Å; L712-L716 WeakPolarHBondContact O-CG 3.39Å; L712-L716 PolarHBondContact O-N 2.68Å
713	Y	86.4	Confident	72.7	Confident	139 Å²	139	93.5 Å²	93.5	55%	0.545	49%	0.487	S	S	.	.	H	α-helix	trans	-58.9	-46.3	174.4	175	-103.9	0	0	0	111.4	L709 L710 F715 L716 R717	L709-Y713 VanDerWaalsContact O-CB 3.26Å; L709-Y713 WeakPolarHBondContact O-CB 3.35Å; L709-Y713 PolarHBondContact O-N 3.41Å; L710-Y713 PolarHBondContact O-N 3.15Å; Y713-F715 VanDerWaalsContact C-N 3.31Å; Y713-F715 PolarHBondContact O-N 2.91Å; Y713-L716 PolarHBondContact O-N 3.17Å; Y713-R717 WeakPolarHBondContact O-CB 3.37Å; Y713-R717 PolarHBondContact O-N 3.35Å
714	N	82.6	Confident	69.6	Low	34 Å²	34	93.8 Å²	93.8	18%	0.182	50%	0.498	C	S	.	.	H	α-helix	trans	-69.6	-25.7	176.9	-73.8	-11.7	0	0	0	113.5	L710 F711 L712 P718 F783	L710-N714 WeakPolarHBondContact O-CB 3.36Å; L710-N714 PolarHBondContact O-N 3.14Å; F711-N714 PolarHBondContact O-N 3.22Å; L712-N714 VanDerWaalsContact C-N 3.35Å; L712-N714 PolarHBondContact O-N 2.73Å; N714-P718 WeakPolarHBondContact O-CD 3.42Å; N714-F783 WeakPolarHBondContact CB-O 3.33Å; N714-F783 PolarHBondContact ND2-O 2.95Å
715	F	80	Confident	67	Low	108 Å²	108	98.8 Å²	98.8	47%	0.474	53%	0.533	S	S	.	.	H	α-helix	trans	-72.7	-41.5	172.4	-175.1	-99.4	0	0	0	112.2	F711 L712 Y713 P718 W785	F711-F715 WeakPolarHBondContact O-CB 3.23Å; F711-F715 PolarHBondContact O-N 2.86Å; L712-F715 WeakPolarHBondContact O-CB 3.46Å; L712-F715 PolarHBondContact O-N 3.16Å; Y713-F715 VanDerWaalsContact C-N 3.31Å; Y713-F715 PolarHBondContact O-N 2.91Å; F715-P718 VanDerWaalsContact O-CD 3.3Å; F715-P718 WeakPolarHBondContact O-CD 3.13Å; F715-P718 VanDerWaalsContact O-CG 3.31Å; F715-P718 WeakPolarHBondContact O-CG 3.38Å; F715-W785 HydrophobicContact CB-CZ2 4.23Å; F715-W785 AromaticContact CD2-CD2 3.96Å; F715-W785 HydrophobicContact CD2-CD2 3.96Å; F715-W785 AromaticContact CD2-CE2 3.91Å; F715-W785 HydrophobicContact CD2-CE3 4.29Å; F715-W785 HydrophobicContact CD2-CG 4.35Å; F715-W785 HydrophobicContact CD2-CZ2 4.21Å; F715-W785 HydrophobicContact CG-CZ2 4.49Å
716	L	76.9	Confident	64.2	Low	89 Å²	89	101.2 Å²	101.2	47%	0.466	55%	0.55	S	S	.	*	H	α-helix	trans	-77.6	-27.8	-179.6	-66.4	172.3	0	0	0	112.9	L712 Y713 M719	L712-L716 HydrophobicContact CD1-CD1 3.96Å; L712-L716 HydrophobicContact CD1-CG 4.1Å; L712-L716 HydrophobicContact CG-CD1 3.92Å; L712-L716 HydrophobicContact CG-CG 4.45Å; L712-L716 WeakPolarHBondContact O-CB 3.25Å; L712-L716 VanDerWaalsContact O-CG 3.32Å; L712-L716 WeakPolarHBondContact O-CG 3.39Å; L712-L716 PolarHBondContact O-N 2.68Å; Y713-L716 PolarHBondContact O-N 3.17Å; L716-M719 VanDerWaalsContact O-CB 3.29Å; L716-M719 WeakPolarHBondContact O-CB 3.09Å; L716-M719 PolarHBondContact O-N 3.01Å; L716-M719 VanDerWaalsContact O-N 3.1Å
717	R	72.9	Confident	61.3	Low	165 Å²	165	105.9 Å²	105.9	62%	0.623	56%	0.563	S	S	*	*	G	3₁₀ helix	trans	-54.5	-49.8	179.3	-169.4	173.9	-175.7	-170	0.5	114.8	Y713 M719 K720	Y713-R717 WeakPolarHBondContact O-CB 3.37Å; Y713-R717 PolarHBondContact O-N 3.35Å; R717-M719 PolarHBondContact O-N 3.1Å; R717-K720 PolarHBondContact O-N 2.68Å
718	P	56.2	Low	58.3	Low	101 Å²	101	110.1 Å²	110.1	66%	0.656	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-65.3	-20.2	176.8	26.1	-36.1	0	0	0	113.7	N714 F715 K720	N714-P718 WeakPolarHBondContact O-CD 3.42Å; F715-P718 VanDerWaalsContact O-CD 3.3Å; F715-P718 WeakPolarHBondContact O-CD 3.13Å; F715-P718 VanDerWaalsContact O-CG 3.31Å; F715-P718 WeakPolarHBondContact O-CG 3.38Å; P718-K720 PolarHBondContact O-N 2.94Å
719	M	45.2	Very low	55.4	Low	164 Å²	164	112.5 Å²	112.5	81%	0.808	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-74.1	-14	176.8	-154	172.3	-172.9	0	0	112.8	L716 R717	L716-M719 VanDerWaalsContact O-CB 3.29Å; L716-M719 WeakPolarHBondContact O-CB 3.09Å; L716-M719 PolarHBondContact O-N 3.01Å; L716-M719 VanDerWaalsContact O-N 3.1Å; R717-M719 PolarHBondContact O-N 3.1Å
720	K	43.4	Very low	52.8	Low	197 Å²	197	116.9 Å²	116.9	86%	0.857	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-120	43.7	-173.3	-153.3	173.4	-173.9	175.5	0	113.3	R717 P718	R717-K720 PolarHBondContact O-N 2.68Å; P718-K720 PolarHBondContact O-N 2.94Å
721	G	34.7	Very low	49.9	Very low	62 Å²	62	119.4 Å²	119.4	64%	0.639	64%	0.638	S	S	*	*			trans	-177.8	66.5	179	0	0	0	0	0	117.1
722	K	42.5	Very low	47.1	Very low	217 Å²	217	123.4 Å²	123.4	94%	0.943	67%	0.667	S	S	*	*			trans	-105.4	48.3	168.1	-160.4	178.7	-180	179	0	112.2
723	A	29.9	Very low	44.3	Very low	98 Å²	98	125.2 Å²	125.2	81%	0.81	68%	0.681	S	S	*	*			trans	-155.9	48.8	-176	0	0	0	0	0	114.7
724	S	24.3	Very low	41.6	Very low	97 Å²	97	125.5 Å²	125.5	68%	0.678	69%	0.692	S	S	*	*			trans	-154.7	118.5	160	58.9	0	0	0	0	111.4	T726	S724-T726 PolarHBondContact O-N 3.3Å
725	S	32.8	Very low	39.4	Very low	121 Å²	121	130.5 Å²	130.5	85%	0.846	72%	0.717	S	S	*	*			trans	-71.5	103.1	160.2	177.1	0	0	0	0	108.1
726	T	28.8	Very low	37.2	Very low	110 Å²	110	134.5 Å²	134.5	68%	0.675	74%	0.737	S	S	*	*			trans	-93.2	100	164.2	-51.5	0	0	0	0	107.4	S724 D728	S724-T726 PolarHBondContact O-N 3.3Å; T726-D728 PolarHBondContact O-N 3.23Å
727	Q	27.5	Very low	35.1	Very low	151 Å²	151	138.6 Å²	138.6	71%	0.706	75%	0.754	S	S	*	*			trans	-66	111.6	168.8	177.4	178.8	-48	0	0	108	S729	Q727-S729 PolarHBondContact NE2-OG 3.24Å; Q727-S729 PolarHBondContact O-N 3.3Å
728	D	25.9	Very low	33.2	Very low	160 Å²	160	138 Å²	138	86%	0.856	76%	0.759	S	S	*	*			trans	-68.3	82.3	168.4	-86.6	-23.2	0	0	0	108.4	T726 Q730	T726-D728 PolarHBondContact O-N 3.23Å; D728-Q730 PolarHBondContact O-N 3.35Å
729	S	29	Very low	32.1	Very low	83 Å²	83	142.5 Å²	142.5	58%	0.58	77%	0.771	S	S	*	*			trans	-63.3	117.7	172	-67.2	0	0	0	0	108.6	Q727 D731	Q727-S729 PolarHBondContact NE2-OG 3.24Å; Q727-S729 PolarHBondContact O-N 3.3Å; S729-D731 PolarHBondContact O-N 2.77Å
730	Q	33	Very low	31.4	Very low	189 Å²	189	142.5 Å²	142.5	88%	0.883	77%	0.766	S	S	*	*			trans	-70	79.4	176.7	-176.8	179.8	-13.8	0	0	109.8	D728 S732	D728-Q730 PolarHBondContact O-N 3.35Å; Q730-S732 PolarHBondContact O-N 3.04Å
731	D	25.1	Very low	31.1	Very low	141 Å²	141	142 Å²	142	75%	0.754	77%	0.767	S	S	*	*			trans	-87.3	97.5	179.4	-159.6	5.2	0	0	0	109.9	S729 T733	S729-D731 PolarHBondContact O-N 2.77Å; D731-T733 PolarHBondContact O-N 3.28Å; D731-T733 VanDerWaalsContact O-N 3.12Å
732	S	26.1	Very low	30.9	Very low	87 Å²	87	148.4 Å²	148.4	61%	0.608	78%	0.78	S	S	*	*			trans	-78.1	89.3	177.1	51.7	0	0	0	0	109.8	Q730 D734	Q730-S732 PolarHBondContact O-N 3.04Å; S732-D734 PolarHBondContact O-N 3.42Å; S732-D734 VanDerWaalsContact O-N 3.08Å
733	T	27.4	Very low	30.6	Very low	117 Å²	117	145 Å²	145	72%	0.718	77%	0.768	S	S	*	*			trans	-73.8	97.1	166.7	-31.1	0	0	0	0	108.7	D731 I735	D731-T733 PolarHBondContact O-N 3.28Å; D731-T733 VanDerWaalsContact O-N 3.12Å; T733-I735 PolarHBondContact O-N 2.84Å
734	D	29.6	Very low	30.9	Very low	144 Å²	144	147.9 Å²	147.9	77%	0.77	76%	0.762	S	S	*	*			trans	-59.5	121.9	171.8	-68.1	-52.2	0	0	0	109.5	S732	S732-D734 PolarHBondContact O-N 3.42Å; S732-D734 VanDerWaalsContact O-N 3.08Å
735	I	34.9	Very low	31.3	Very low	139 Å²	139	151.9 Å²	151.9	71%	0.713	77%	0.77	S	S	*	*			trans	-109.8	111.5	166.4	-63.9	179.8	0	0	0	106	T733 E737	T733-I735 PolarHBondContact O-N 2.84Å; I735-E737 VanDerWaalsContact C-N 3.32Å; I735-E737 HydrophobicContact CG2-CG 4.21Å; I735-E737 PolarHBondContact O-N 3.3Å
736	E	33.9	Very low	31.6	Very low	192 Å²	192	150 Å²	150	90%	0.897	76%	0.757	S	S	*	*			trans	-67.7	88.6	171	-62.4	177.5	138.5	0	0	109	E738	E736-E738 PolarHBondContact O-N 2.9Å
737	E	34.6	Very low	32	Very low	175 Å²	175	153.6 Å²	153.6	82%	0.818	77%	0.766	S	S	*	*			trans	-75.7	107.6	165.5	-70.7	-164.9	160.4	0	0	108.7	I735 E739	I735-E737 VanDerWaalsContact C-N 3.32Å; I735-E737 HydrophobicContact CG2-CG 4.21Å; I735-E737 PolarHBondContact O-N 3.3Å; E737-E739 PolarHBondContact O-N 3.2Å; E737-E739 VanDerWaalsContact O-N 3.17Å
738	E	33	Very low	33	Very low	154 Å²	154	154.7 Å²	154.7	72%	0.72	77%	0.768	S	S	*	*			trans	-50.4	117.9	178.5	-64.6	-177.9	149.9	0	0	111.9	E736 K740	E736-E738 PolarHBondContact O-N 2.9Å; E738-K740 PolarHBondContact O-N 2.67Å; E738-K740 VanDerWaalsContact O-N 3.13Å; E738-K740 IonicContact OE2-NZ 2.71Å; E738-K740 PolarHBondContact OE2-NZ 2.8Å
739	E	31.8	Very low	34.2	Very low	195 Å²	195	157.2 Å²	157.2	91%	0.911	77%	0.772	S	S	*	*			trans	-62	116.3	170.2	-67.4	-167.2	132.9	0	0	109.9	E737	E737-E739 PolarHBondContact O-N 3.2Å; E737-E739 VanDerWaalsContact O-N 3.17Å
740	K	31.8	Very low	35.2	Very low	164 Å²	164	155.1 Å²	155.1	71%	0.713	76%	0.764	S	S	*	*			trans	-103.4	100.7	168.3	-78.2	-173.5	173.9	85.9	0	109.6	E738 E742	E738-K740 PolarHBondContact O-N 2.67Å; E738-K740 VanDerWaalsContact O-N 3.13Å; E738-K740 IonicContact OE2-NZ 2.71Å; E738-K740 PolarHBondContact OE2-NZ 2.8Å; K740-E742 PolarHBondContact O-N 3.12Å
741	E	35.9	Very low	36.5	Very low	186 Å²	186	149.8 Å²	149.8	87%	0.869	74%	0.741	S	S	*	*			trans	-58.4	128.5	168.8	-58.4	-177.3	134.3	0	0	110.7
742	E	31.8	Very low	38.3	Very low	196 Å²	196	148.9 Å²	148.9	92%	0.916	73%	0.734	S	S	*	*			trans	-131.2	98.9	155.8	-74.9	-162.6	162.9	0	0	108.9	K740	K740-E742 PolarHBondContact O-N 3.12Å
743	E	35	Very low	39.9	Very low	145 Å²	145	151.7 Å²	151.7	68%	0.678	74%	0.738	S	S	*	*			trans	-86.6	130.9	172.2	-90.1	-142.4	129.9	0	0	112.4
744	K	36.6	Very low	41.8	Very low	159 Å²	159	154.9 Å²	154.9	69%	0.691	74%	0.737	S	S	*	*			trans	67.8	162.9	149.3	-64.4	166.3	-173.9	147.9	0	116
745	E	32.3	Very low	43.7	Very low	181 Å²	181	152.8 Å²	152.8	85%	0.846	73%	0.725	S	S	*	*			cis	-136.9	178.7	4.8	-148.4	171.5	-161.6	0	0	112.4
746	S	39.6	Very low	45.3	Very low	83 Å²	83	152.9 Å²	152.9	58%	0.58	72%	0.717	S	S	*	*			trans	-83	152.8	-172.7	69.2	0	0	0	0	115.2
747	E	36.5	Very low	47	Very low	184 Å²	184	149.1 Å²	149.1	86%	0.86	70%	0.701	S	S	*	*			trans	-137.2	135.7	148.5	-131.8	175.6	-144.6	0	0	110.9	I751	E747-I751 WeakPolarHBondContact O-CD1 3.49Å
748	K	48.4	Very low	49.1	Very low	174 Å²	174	145.1 Å²	145.1	76%	0.757	69%	0.688	S	S	*	*			trans	-94.1	161.6	-158.8	-66.6	176.5	-179.4	172.2	0	113.8
749	K	50.7	Low	51	Low	213 Å²	213	142 Å²	142	93%	0.926	67%	0.674	S	S	*	*	S	Bend	trans	75	38.1	168.6	-53.6	-173.7	179.3	-177.9	0	117.8
750	G	51.9	Low	53.1	Low	40 Å²	40	136.3 Å²	136.3	41%	0.412	65%	0.649	S	S	.	*	S	Bend	trans	-147.6	16	158.3	0	0	0	0	0	113.6	R754	G750-R754 WeakPolarHBondContact O-CD 3.41Å; G750-R754 WeakPolarHBondContact O-CG 3.48Å
751	I	58.6	Low	55.4	Low	77 Å²	77	133.3 Å²	133.3	40%	0.395	64%	0.64	S	S	.	*	H	α-helix	trans	-93	-39.5	-159	-64.3	164.6	0	0	0	112.9	E747 E753 R754 I755	E747-I751 WeakPolarHBondContact O-CD1 3.49Å; I751-E753 PolarHBondContact O-N 2.69Å; I751-R754 CarbonylContact O-C 3.51Å; I751-R754 WeakPolarHBondContact O-CA 3.29Å; I751-R754 WeakPolarHBondContact O-CB 3.26Å; I751-R754 PolarHBondContact O-N 2.76Å; I751-I755 HydrophobicContact CG2-CD1 3.51Å; I751-I755 HydrophobicContact CG2-CG1 3.81Å; I751-I755 PolarHBondContact O-N 3.01Å
752	I	62.8	Low	57.6	Low	121 Å²	121	127 Å²	127	62%	0.621	61%	0.614	S	S	*	*	H	α-helix	trans	-63.7	-45	-169.3	-67	172.1	0	0	0	111.4	R754 I755 Y756	I752-R754 VanDerWaalsContact C-N 3.31Å; I752-R754 PolarHBondContact O-N 2.91Å; I752-I755 PolarHBondContact O-N 2.81Å; I752-Y756 HydrophobicContact CG2-CD2 3.81Å; I752-Y756 HydrophobicContact CG2-CE2 3.44Å; I752-Y756 VanDerWaalsContact CG2-CE2 3.44Å; I752-Y756 VanDerWaalsContact O-CD2 3.25Å; I752-Y756 WeakPolarHBondContact O-CD2 3.3Å; I752-Y756 PolarHBondContact O-N 2.64Å
753	E	60.9	Low	59.8	Low	147 Å²	147	119.3 Å²	119.3	69%	0.687	58%	0.582	S	S	*	*	H	α-helix	trans	-61.6	-38.6	173.2	-65.3	177.1	168.2	0	0	111.9	I751 Y756 M757	I751-E753 PolarHBondContact O-N 2.69Å; E753-Y756 PolarHBondContact O-N 3.27Å; E753-M757 WeakPolarHBondContact O-CB 3.26Å; E753-M757 VanDerWaalsContact O-CG 3.25Å; E753-M757 WeakPolarHBondContact O-CG 3.44Å; E753-M757 PolarHBondContact O-N 3.12Å
754	R	66.5	Low	62	Low	184 Å²	184	116 Å²	116	69%	0.694	57%	0.571	S	S	*	*	H	α-helix	trans	-68.8	-35.1	175.9	-70	-177.4	179.1	-172.6	1.1	112.9	G750 I751 I752 M757 V758	G750-R754 WeakPolarHBondContact O-CD 3.41Å; G750-R754 WeakPolarHBondContact O-CG 3.48Å; I751-R754 CarbonylContact O-C 3.51Å; I751-R754 WeakPolarHBondContact O-CA 3.29Å; I751-R754 WeakPolarHBondContact O-CB 3.26Å; I751-R754 PolarHBondContact O-N 2.76Å; I752-R754 VanDerWaalsContact C-N 3.31Å; I752-R754 PolarHBondContact O-N 2.91Å; R754-M757 PolarHBondContact O-N 2.88Å; R754-V758 WeakPolarHBondContact O-CB 3.3Å; R754-V758 VanDerWaalsContact O-CG2 3.28Å; R754-V758 WeakPolarHBondContact O-CG2 3.19Å; R754-V758 PolarHBondContact O-N 3.04Å
755	I	70	Confident	64.4	Low	100 Å²	100	112.1 Å²	112.1	51%	0.513	56%	0.561	S	S	.	*	H	α-helix	trans	-65.6	-46.1	173.2	-72.5	177.6	0	0	0	109.7	I751 I752 M757 V758 Q759	I751-I755 HydrophobicContact CG2-CD1 3.51Å; I751-I755 HydrophobicContact CG2-CG1 3.81Å; I751-I755 PolarHBondContact O-N 3.01Å; I752-I755 PolarHBondContact O-N 2.81Å; I755-M757 PolarHBondContact O-N 2.83Å; I755-V758 PolarHBondContact O-N 2.96Å; I755-Q759 WeakPolarHBondContact O-CB 3.37Å; I755-Q759 PolarHBondContact O-N 2.72Å
756	Y	69.1	Low	66.8	Low	140 Å²	140	103.7 Å²	103.7	55%	0.549	52%	0.521	S	S	.	.	H	α-helix	trans	-64.8	-37.5	175.2	-69.2	-51.8	0	0	0	112.5	I752 E753 Q759 D760	I752-Y756 HydrophobicContact CG2-CD2 3.81Å; I752-Y756 HydrophobicContact CG2-CE2 3.44Å; I752-Y756 VanDerWaalsContact CG2-CE2 3.44Å; I752-Y756 VanDerWaalsContact O-CD2 3.25Å; I752-Y756 WeakPolarHBondContact O-CD2 3.3Å; I752-Y756 PolarHBondContact O-N 2.64Å; E753-Y756 PolarHBondContact O-N 3.27Å; Y756-Q759 WeakPolarHBondContact O-CB 3.27Å; Y756-Q759 PolarHBondContact O-N 3.2Å; Y756-D760 WeakPolarHBondContact O-CB 3.43Å; Y756-D760 PolarHBondContact O-N 3.29Å
757	M	69.1	Low	69	Low	114 Å²	114	103.7 Å²	103.7	56%	0.562	52%	0.515	S	S	*	.	H	α-helix	trans	-64	-42.1	172.1	-73.8	173	-176.7	0	0	112.1	E753 R754 I755 Q759 D760 I761	E753-M757 WeakPolarHBondContact O-CB 3.26Å; E753-M757 VanDerWaalsContact O-CG 3.25Å; E753-M757 WeakPolarHBondContact O-CG 3.44Å; E753-M757 PolarHBondContact O-N 3.12Å; R754-M757 PolarHBondContact O-N 2.88Å; I755-M757 PolarHBondContact O-N 2.83Å; M757-Q759 VanDerWaalsContact C-N 3.31Å; M757-Q759 PolarHBondContact O-N 2.97Å; M757-D760 PolarHBondContact O-N 2.89Å; M757-I761 VanDerWaalsContact O-CB 3.32Å; M757-I761 WeakPolarHBondContact O-CB 3.44Å; M757-I761 WeakPolarHBondContact O-CD1 3.44Å; M757-I761 WeakPolarHBondContact O-CG1 3.16Å; M757-I761 PolarHBondContact O-N 3.22Å
758	V	78.1	Confident	71.3	Confident	90 Å²	90	99.7 Å²	99.7	55%	0.545	50%	0.498	S	S	.	.	H	α-helix	trans	-65.3	-36	174.1	168	0	0	0	0	110.9	R754 I755 I761 V762	R754-V758 WeakPolarHBondContact O-CB 3.3Å; R754-V758 VanDerWaalsContact O-CG2 3.28Å; R754-V758 WeakPolarHBondContact O-CG2 3.19Å; R754-V758 PolarHBondContact O-N 3.04Å; I755-V758 PolarHBondContact O-N 2.96Å; V758-I761 PolarHBondContact O-N 3.44Å; V758-V762 HydrophobicContact CG1-CG2 4.3Å; V758-V762 WeakPolarHBondContact O-CB 3.32Å; V758-V762 VanDerWaalsContact O-CG2 3.23Å; V758-V762 WeakPolarHBondContact O-CG2 3.33Å; V758-V762 PolarHBondContact O-N 3.14Å
759	Q	73.5	Confident	73.1	Confident	90 Å²	90	92.9 Å²	92.9	42%	0.421	47%	0.47	S	S	.	.	H	α-helix	trans	-66.8	-45.1	174.9	-166.2	179.9	-13.7	0	0	111.9	L646 I755 Y756 M757 I761 V762 S763	L646-Q759 HydrophobicContact CD1-CB 4.47Å; L646-Q759 HydrophobicContact CD1-CG 3.41Å; L646-Q759 VanDerWaalsContact CD1-CG 3.41Å; I755-Q759 WeakPolarHBondContact O-CB 3.37Å; I755-Q759 PolarHBondContact O-N 2.72Å; Y756-Q759 WeakPolarHBondContact O-CB 3.27Å; Y756-Q759 PolarHBondContact O-N 3.2Å; M757-Q759 VanDerWaalsContact C-N 3.31Å; M757-Q759 PolarHBondContact O-N 2.97Å; Q759-I761 VanDerWaalsContact C-N 3.35Å; Q759-V762 PolarHBondContact O-N 3.02Å; Q759-S763 WeakPolarHBondContact O-CB 3.44Å; Q759-S763 PolarHBondContact O-N 3.29Å; Q759-S763 PolarHBondContact O-OG 3.11Å
760	D	75.6	Confident	74.7	Confident	74 Å²	74	84.6 Å²	84.6	40%	0.396	44%	0.435	S	S	.	.	H	α-helix	trans	-64.8	-37.9	175.1	-73	-5	0	0	0	110.4	K421 Y756 M757 S763 T764	K421-D760 IonicContact NZ-OD2 3.13Å; K421-D760 PolarHBondContact NZ-OD2 3Å; K421-D760 VanDerWaalsContact NZ-OD2 3.13Å; Y756-D760 WeakPolarHBondContact O-CB 3.43Å; Y756-D760 PolarHBondContact O-N 3.29Å; M757-D760 PolarHBondContact O-N 2.89Å; D760-S763 PolarHBondContact O-OG 3Å; D760-T764 WeakPolarHBondContact O-CG2 3.16Å; D760-T764 PolarHBondContact O-N 3.49Å; D760-T764 PolarHBondContact O-OG1 3.46Å
761	I	80.6	Confident	76.3	Confident	101 Å²	101	89 Å²	89	52%	0.518	45%	0.445	S	S	.	.	H	α-helix	trans	-67.4	-45.6	173.7	-71.2	163.3	0	0	0	111.8	M757 V758 Q759 S763 T764 V765	M757-I761 VanDerWaalsContact O-CB 3.32Å; M757-I761 WeakPolarHBondContact O-CB 3.44Å; M757-I761 WeakPolarHBondContact O-CD1 3.44Å; M757-I761 WeakPolarHBondContact O-CG1 3.16Å; M757-I761 PolarHBondContact O-N 3.22Å; V758-I761 PolarHBondContact O-N 3.44Å; Q759-I761 VanDerWaalsContact C-N 3.35Å; I761-S763 VanDerWaalsContact C-N 3.31Å; I761-S763 PolarHBondContact O-N 2.66Å; I761-T764 WeakPolarHBondContact CA-OG1 3.19Å; I761-T764 PolarHBondContact O-N 3.5Å; I761-T764 PolarHBondContact O-OG1 2.77Å; I761-V765 HydrophobicContact CG2-CG2 4.45Å; I761-V765 WeakPolarHBondContact O-CB 3.41Å; I761-V765 VanDerWaalsContact O-CG2 3.29Å; I761-V765 WeakPolarHBondContact O-CG2 3.3Å; I761-V765 PolarHBondContact O-N 3.33Å
762	V	81.5	Confident	77.7	Confident	55 Å²	55	88.7 Å²	88.7	33%	0.333	45%	0.446	S	S	.	.	H	α-helix	trans	-66.7	-34.1	178.5	170.8	0	0	0	0	111.1	L646 L651 V758 Q759 Q766	L646-V762 HydrophobicContact CD2-CG1 3.97Å; L651-V762 HydrophobicContact CD2-CG1 4.2Å; V758-V762 HydrophobicContact CG1-CG2 4.3Å; V758-V762 WeakPolarHBondContact O-CB 3.32Å; V758-V762 VanDerWaalsContact O-CG2 3.23Å; V758-V762 WeakPolarHBondContact O-CG2 3.33Å; V758-V762 PolarHBondContact O-N 3.14Å; Q759-V762 PolarHBondContact O-N 3.02Å; V762-Q766 WeakPolarHBondContact O-CB 3.19Å; V762-Q766 PolarHBondContact O-N 2.76Å
763	S	78	Confident	78.9	Confident	34 Å²	34	83 Å²	83	24%	0.238	42%	0.417	C	S	.	.	H	α-helix	trans	-71.9	-40.8	175.6	66.4	0	0	0	0	112.7	Q759 D760 I761 Q766 N767	Q759-S763 WeakPolarHBondContact O-CB 3.44Å; Q759-S763 PolarHBondContact O-N 3.29Å; Q759-S763 PolarHBondContact O-OG 3.11Å; D760-S763 PolarHBondContact O-OG 3Å; I761-S763 VanDerWaalsContact C-N 3.31Å; I761-S763 PolarHBondContact O-N 2.66Å; S763-Q766 PolarHBondContact O-N 2.71Å; S763-N767 WeakPolarHBondContact O-CB 3.43Å; S763-N767 PolarHBondContact O-N 3.05Å; S763-N767 PolarHBondContact O-OD1 2.9Å
764	T	82.7	Confident	80.1	Confident	74 Å²	74	76.6 Å²	76.6	45%	0.454	39%	0.389	S	S	.	.	H	α-helix	trans	-65.1	-39.9	173	47.1	0	0	0	0	112.2	D760 I761 N767 I768	D760-T764 WeakPolarHBondContact O-CG2 3.16Å; D760-T764 PolarHBondContact O-N 3.49Å; D760-T764 PolarHBondContact O-OG1 3.46Å; I761-T764 WeakPolarHBondContact CA-OG1 3.19Å; I761-T764 PolarHBondContact O-N 3.5Å; I761-T764 PolarHBondContact O-OG1 2.77Å; T764-N767 PolarHBondContact O-N 2.84Å; T764-I768 WeakPolarHBondContact O-CB 3.27Å; T764-I768 WeakPolarHBondContact O-CD1 3.43Å; T764-I768 VanDerWaalsContact O-CG1 3.23Å; T764-I768 WeakPolarHBondContact O-CG1 3.45Å; T764-I768 PolarHBondContact O-N 3.23Å
765	V	85.5	Confident	81.2	Confident	78 Å²	78	71.9 Å²	71.9	47%	0.473	37%	0.374	S	S	.	.	H	α-helix	trans	-63.1	-43.5	171.5	170	0	0	0	0	111.6	I761 N767 I768 L769	I761-V765 HydrophobicContact CG2-CG2 4.45Å; I761-V765 WeakPolarHBondContact O-CB 3.41Å; I761-V765 VanDerWaalsContact O-CG2 3.29Å; I761-V765 WeakPolarHBondContact O-CG2 3.3Å; I761-V765 PolarHBondContact O-N 3.33Å; V765-N767 PolarHBondContact O-N 3.42Å; V765-I768 PolarHBondContact O-N 2.89Å; V765-L769 VanDerWaalsContact O-CB 3.25Å; V765-L769 WeakPolarHBondContact O-CB 3.49Å; V765-L769 PolarHBondContact O-N 3.43Å
766	Q	82.8	Confident	81.9	Confident	4 Å²	4	67.5 Å²	67.5	2%	0.019	35%	0.354	C	S	.	.	H	α-helix	trans	-61.4	-44.2	176.8	-167.1	-171.3	-59.1	0	0	111.3	L651 V762 S763 L769 E770	L651-Q766 HydrophobicContact CB-CG 4.34Å; L651-Q766 HydrophobicContact CD1-CB 4.05Å; L651-Q766 HydrophobicContact CD1-CG 4Å; V762-Q766 WeakPolarHBondContact O-CB 3.19Å; V762-Q766 PolarHBondContact O-N 2.76Å; S763-Q766 PolarHBondContact O-N 2.71Å; Q766-L769 PolarHBondContact O-N 2.92Å; Q766-E770 PolarHBondContact O-N 2.86Å
767	N	85.3	Confident	82.8	Confident	84 Å²	84	61.8 Å²	61.8	45%	0.449	33%	0.332	S	S	.	.	H	α-helix	trans	-63.7	-47.6	178.6	-67.4	-4.6	0	0	0	111.7	S763 T764 V765 L769 E770 E771	S763-N767 WeakPolarHBondContact O-CB 3.43Å; S763-N767 PolarHBondContact O-N 3.05Å; S763-N767 PolarHBondContact O-OD1 2.9Å; T764-N767 PolarHBondContact O-N 2.84Å; V765-N767 PolarHBondContact O-N 3.42Å; N767-L769 PolarHBondContact O-N 2.85Å; N767-E770 PolarHBondContact O-N 3.48Å; N767-E771 WeakPolarHBondContact O-CB 3.46Å; N767-E771 WeakPolarHBondContact O-CG 3.4Å; N767-E771 PolarHBondContact O-N 2.97Å
768	I	86	Confident	83.8	Confident	99 Å²	99	58.6 Å²	58.6	51%	0.508	31%	0.313	S	S	.	.	H	α-helix	trans	-59.7	-38.3	176	-68.7	163.8	0	0	0	110.8	T764 V765 E771 V772	T764-I768 WeakPolarHBondContact O-CB 3.27Å; T764-I768 WeakPolarHBondContact O-CD1 3.43Å; T764-I768 VanDerWaalsContact O-CG1 3.23Å; T764-I768 WeakPolarHBondContact O-CG1 3.45Å; T764-I768 PolarHBondContact O-N 3.23Å; V765-I768 PolarHBondContact O-N 2.89Å; I768-E771 PolarHBondContact O-N 3.33Å; I768-V772 HydrophobicContact CG2-CG2 4.48Å; I768-V772 WeakPolarHBondContact O-CB 3.44Å; I768-V772 VanDerWaalsContact O-CG2 3.3Å; I768-V772 WeakPolarHBondContact O-CG2 3.44Å; I768-V772 PolarHBondContact O-N 3.49Å
769	L	85.8	Confident	84.3	Confident	32 Å²	32	57 Å²	57	17%	0.168	30%	0.302	C	S	.	.	H	α-helix	trans	-70.1	-39.6	178.6	-162.1	73.4	0	0	0	112.1	L651 D654 V655 V658 V765 Q766 N767 A773	L651-L769 HydrophobicContact CD1-CD2 4.05Å; D654-L769 HydrophobicContact CB-CD2 3.97Å; D654-L769 HydrophobicContact CB-CG 4.25Å; V655-L769 HydrophobicContact CB-CD2 4.33Å; V655-L769 HydrophobicContact CG2-CD2 3.57Å; V658-L769 HydrophobicContact CB-CD1 4.05Å; V658-L769 HydrophobicContact CG1-CD1 4.34Å; V658-L769 HydrophobicContact CG2-CD1 3.62Å; V658-L769 HydrophobicContact CG2-CG 3.97Å; V765-L769 VanDerWaalsContact O-CB 3.25Å; V765-L769 WeakPolarHBondContact O-CB 3.49Å; V765-L769 PolarHBondContact O-N 3.43Å; Q766-L769 PolarHBondContact O-N 2.92Å; N767-L769 PolarHBondContact O-N 2.85Å; L769-A773 WeakPolarHBondContact O-CB 3.5Å; L769-A773 PolarHBondContact O-N 3.42Å
770	E	84.6	Confident	85	Confident	39 Å²	39	57.4 Å²	57.4	18%	0.182	30%	0.302	C	S	.	.	H	α-helix	trans	-66.7	-39.1	173	-175.1	172	-177.3	0	0	111.7	R644 Q766 N767 S774	R644-E770 IonicContact CZ-OE1 3.64Å; R644-E770 IonicContact CZ-OE2 3.13Å; R644-E770 IonicContact NH1-OE1 3.97Å; R644-E770 PolarHBondContact NH1-OE1 3.46Å; R644-E770 IonicContact NH1-OE2 3.54Å; R644-E770 PolarHBondContact NH1-OE2 3.09Å; R644-E770 IonicContact NH2-OE1 2.66Å; Q766-E770 PolarHBondContact O-N 2.86Å; N767-E770 PolarHBondContact O-N 3.48Å; E770-S774 WeakPolarHBondContact O-CB 3.21Å; E770-S774 PolarHBondContact O-N 3.34Å; E770-S774 PolarHBondContact O-OG 3.32Å
771	E	86.1	Confident	85.6	Confident	131 Å²	131	53.9 Å²	53.9	61%	0.612	28%	0.283	S	S	*	.	H	α-helix	trans	-60.8	-51.5	172.8	-77.4	-180	-167.6	0	0	111.4	N767 I768 S774 F775	N767-E771 WeakPolarHBondContact O-CB 3.46Å; N767-E771 WeakPolarHBondContact O-CG 3.4Å; N767-E771 PolarHBondContact O-N 2.97Å; I768-E771 PolarHBondContact O-N 3.33Å; E771-S774 PolarHBondContact O-N 3.28Å; E771-S774 PolarHBondContact O-OG 2.83Å; E771-S774 VanDerWaalsContact O-OG 3.12Å; E771-F775 WeakPolarHBondContact O-CB 3.31Å; E771-F775 PolarHBondContact O-N 3.36Å
772	V	87.2	Confident	85.9	Confident	71 Å²	71	49.4 Å²	49.4	43%	0.43	26%	0.26	S	S	.	.	H	α-helix	trans	-63.4	-43.7	178.8	169.8	0	0	0	0	111.8	V658 I768 G776	V658-V772 HydrophobicContact CG2-CG1 4.24Å; I768-V772 HydrophobicContact CG2-CG2 4.48Å; I768-V772 WeakPolarHBondContact O-CB 3.44Å; I768-V772 VanDerWaalsContact O-CG2 3.3Å; I768-V772 WeakPolarHBondContact O-CG2 3.44Å; I768-V772 PolarHBondContact O-N 3.49Å; V772-G776 PolarHBondContact O-N 3.02Å
773	A	87.5	Confident	86.1	Confident	2 Å²	2	48.9 Å²	48.9	2%	0.017	25%	0.253	C	S	.	.	H	α-helix	trans	-62.1	-49.5	176.6	0	0	0	0	0	111.7	R657 V658 L769 G776 E777	R657-A773 HydrophobicContact CB-CB 3.91Å; V658-A773 HydrophobicContact CG2-CB 3.8Å; L769-A773 WeakPolarHBondContact O-CB 3.5Å; L769-A773 PolarHBondContact O-N 3.42Å; A773-G776 PolarHBondContact O-N 2.89Å; A773-E777 WeakPolarHBondContact O-CB 3.46Å; A773-E777 VanDerWaalsContact O-CG 3.32Å; A773-E777 WeakPolarHBondContact O-CG 3.31Å; A773-E777 PolarHBondContact O-N 2.9Å
774	S	87.7	Confident	86.5	Confident	13 Å²	13	51.2 Å²	51.2	9%	0.091	26%	0.263	C	S	.	.	H	α-helix	trans	-68	-35.6	-179.4	65.5	0	0	0	0	112.3	E770 E771 E777 R778	E770-S774 WeakPolarHBondContact O-CB 3.21Å; E770-S774 PolarHBondContact O-N 3.34Å; E770-S774 PolarHBondContact O-OG 3.32Å; E771-S774 PolarHBondContact O-N 3.28Å; E771-S774 PolarHBondContact O-OG 2.83Å; E771-S774 VanDerWaalsContact O-OG 3.12Å; S774-E777 PolarHBondContact O-N 2.78Å; S774-R778 VanDerWaalsContact O-CB 3.26Å; S774-R778 WeakPolarHBondContact O-CB 3.27Å; S774-R778 VanDerWaalsContact O-CD 3.29Å; S774-R778 WeakPolarHBondContact O-CD 3.45Å; S774-R778 WeakPolarHBondContact O-CG 3.42Å; S774-R778 PolarHBondContact O-N 3.25Å
775	F	88.5	Confident	86.6	Confident	84 Å²	84	50 Å²	50	37%	0.368	25%	0.251	S	S	.	.	H	α-helix	trans	-63.6	-47.7	174.7	-179.5	-106.5	0	0	0	112	E771 E777 R778 I779 L838 L841	E771-F775 WeakPolarHBondContact O-CB 3.31Å; E771-F775 PolarHBondContact O-N 3.36Å; F775-E777 PolarHBondContact O-N 3.45Å; F775-R778 PolarHBondContact O-N 2.81Å; F775-I779 HydrophobicContact CD1-CD1 3.98Å; F775-I779 HydrophobicContact CE1-CD1 3.51Å; F775-I779 HydrophobicContact CE2-CD1 4.17Å; F775-I779 HydrophobicContact CZ-CD1 3.62Å; F775-I779 WeakPolarHBondContact O-CG1 3.45Å; F775-I779 PolarHBondContact O-N 3.47Å; F775-L838 HydrophobicContact CD2-CD2 4.2Å; F775-L838 HydrophobicContact CE2-CD2 3.59Å; F775-L838 HydrophobicContact CZ-CD2 4.4Å; F775-L841 HydrophobicContact CD2-CD1 4.17Å; F775-L841 HydrophobicContact CE2-CD1 3.51Å; F775-L841 HydrophobicContact CZ-CD1 4.19Å
776	G	84.3	Confident	86.5	Confident	9 Å²	9	48.9 Å²	48.9	9%	0.093	24%	0.244	C	C	.	.	H	α-helix	trans	-62.5	-41.8	175.8	0	0	0	0	0	113.1	V772 A773 K780	V772-G776 PolarHBondContact O-N 3.02Å; A773-G776 PolarHBondContact O-N 2.89Å; G776-K780 WeakPolarHBondContact O-CB 3.49Å; G776-K780 PolarHBondContact O-N 2.86Å; G776-K780 VanDerWaalsContact O-N 3.11Å
777	E	88.7	Confident	86.5	Confident	20 Å²	20	49.9 Å²	49.9	9%	0.093	25%	0.25	C	C	.	.	H	α-helix	trans	-62.3	-44.9	172.9	-74.5	169.8	-172.9	0	0	111.9	R657 A773 S774 F775 I779 K780 N781 S846 D847	R657-E777 IonicContact CZ-OE1 3.68Å; R657-E777 IonicContact CZ-OE2 3.47Å; R657-E777 IonicContact NE-OE1 2.71Å; R657-E777 PolarHBondContact NE-OE1 3.43Å; R657-E777 IonicContact NE-OE2 2.76Å; R657-E777 VanDerWaalsContact NH2-CD 3.3Å; R657-E777 IonicContact NH2-OE1 3.89Å; R657-E777 PolarHBondContact NH2-OE1 3.27Å; R657-E777 IonicContact NH2-OE2 3.33Å; R657-E777 PolarHBondContact NH2-OE2 2.81Å; A773-E777 WeakPolarHBondContact O-CB 3.46Å; A773-E777 VanDerWaalsContact O-CG 3.32Å; A773-E777 WeakPolarHBondContact O-CG 3.31Å; A773-E777 PolarHBondContact O-N 2.9Å; S774-E777 PolarHBondContact O-N 2.78Å; F775-E777 PolarHBondContact O-N 3.45Å; E777-I779 PolarHBondContact O-N 3.29Å; E777-K780 WeakPolarHBondContact O-CB 3.39Å; E777-K780 PolarHBondContact O-N 3.25Å; E777-N781 WeakPolarHBondContact O-CB 3.3Å; E777-N781 PolarHBondContact O-N 2.65Å; E777-N781 PolarHBondContact O-ND2 3.03Å; E777-N781 PolarHBondContact O-OD1 3.46Å; E777-S846 WeakPolarHBondContact OE2-CB 3.42Å; E777-D847 HydrophobicContact CG-CB 4.26Å; E777-D847 PolarHBondContact OE2-N 2.8Å
778	R	90.9	Very high	86.6	Confident	46 Å²	46	50 Å²	50	17%	0.174	26%	0.256	C	S	.	.	H	α-helix	trans	-58.9	-43.2	177.6	-79	164.2	157.4	155.5	-8	112.6	S774 F775 N781 T782 L841 S842 V844	S774-R778 VanDerWaalsContact O-CB 3.26Å; S774-R778 WeakPolarHBondContact O-CB 3.27Å; S774-R778 VanDerWaalsContact O-CD 3.29Å; S774-R778 WeakPolarHBondContact O-CD 3.45Å; S774-R778 WeakPolarHBondContact O-CG 3.42Å; S774-R778 PolarHBondContact O-N 3.25Å; F775-R778 PolarHBondContact O-N 2.81Å; R778-N781 PolarHBondContact O-N 3.32Å; R778-T782 PolarHBondContact O-N 3.19Å; R778-T782 PolarHBondContact O-OG1 3.37Å; R778-L841 HydrophobicContact CB-CD2 4.43Å; R778-L841 WeakPolarHBondContact CD-O 3.5Å; R778-L841 PolarHBondContact NE-O 2.9Å; R778-S842 PolarHBondContact NH2-O 2.96Å; R778-V844 HydrophobicContact CB-CB 4.17Å; R778-V844 HydrophobicContact CB-CG1 4.36Å; R778-V844 HydrophobicContact CG-CB 4.07Å; R778-V844 HydrophobicContact CG-CG1 4.39Å; R778-V844 WeakPolarHBondContact CG-O 3.35Å; R778-V844 PolarHBondContact NE-O 3.04Å
779	I	88	Confident	86.7	Confident	58 Å²	58	47.3 Å²	47.3	30%	0.297	24%	0.24	S	C	.	.	H	α-helix	trans	-61.4	-55.2	175	-69	173	0	0	0	110.2	F775 E777 N781 T782 F783 L841	F775-I779 HydrophobicContact CD1-CD1 3.98Å; F775-I779 HydrophobicContact CE1-CD1 3.51Å; F775-I779 HydrophobicContact CE2-CD1 4.17Å; F775-I779 HydrophobicContact CZ-CD1 3.62Å; F775-I779 WeakPolarHBondContact O-CG1 3.45Å; F775-I779 PolarHBondContact O-N 3.47Å; E777-I779 PolarHBondContact O-N 3.29Å; I779-N781 PolarHBondContact O-N 3.49Å; I779-T782 WeakPolarHBondContact O-CB 3.46Å; I779-T782 PolarHBondContact O-N 3.33Å; I779-T782 VanDerWaalsContact O-N 3.14Å; I779-F783 HydrophobicContact CG2-CD2 4Å; I779-F783 HydrophobicContact CG2-CE2 3.73Å; I779-F783 VanDerWaalsContact O-CD2 3.23Å; I779-F783 WeakPolarHBondContact O-CD2 3.42Å; I779-F783 PolarHBondContact O-N 3.46Å; I779-L841 HydrophobicContact CD1-CD1 4.29Å; I779-L841 HydrophobicContact CG1-CD1 3.8Å; I779-L841 HydrophobicContact CG1-CD2 4.06Å
780	K	87.6	Confident	86.8	Confident	97 Å²	97	45.8 Å²	45.8	42%	0.422	23%	0.232	S	C	.	.	H	α-helix	trans	-50.2	-42.1	174.5	165.7	-163	169.9	-163.5	0	112.2	G776 E777 F783 N784 D847	G776-K780 WeakPolarHBondContact O-CB 3.49Å; G776-K780 PolarHBondContact O-N 2.86Å; G776-K780 VanDerWaalsContact O-N 3.11Å; E777-K780 WeakPolarHBondContact O-CB 3.39Å; E777-K780 PolarHBondContact O-N 3.25Å; K780-F783 PolarHBondContact O-N 3.32Å; K780-N784 WeakPolarHBondContact O-CB 3.23Å; K780-N784 VanDerWaalsContact O-CG 3.28Å; K780-N784 PolarHBondContact O-N 3.28Å; K780-D847 IonicContact NZ-OD2 2.61Å; K780-D847 PolarHBondContact NZ-OD2 3.3Å
781	N	88.1	Confident	87.1	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-72.3	-34.4	-176.3	-72.4	-14.4	0	0	0	112.7	E777 R778 I779 N784 W785 T786 V844 P845 D847 K850	E777-N781 WeakPolarHBondContact O-CB 3.3Å; E777-N781 PolarHBondContact O-N 2.65Å; E777-N781 PolarHBondContact O-ND2 3.03Å; E777-N781 PolarHBondContact O-OD1 3.46Å; R778-N781 PolarHBondContact O-N 3.32Å; I779-N781 PolarHBondContact O-N 3.49Å; N781-N784 PolarHBondContact O-N 3.28Å; N781-W785 PolarHBondContact O-N 3.39Å; N781-T786 HydrophobicContact CB-CG2 4.1Å; N781-T786 WeakPolarHBondContact CB-OG1 3.29Å; N781-T786 WeakPolarHBondContact O-CG2 3.25Å; N781-T786 PolarHBondContact O-N 3.3Å; N781-T786 PolarHBondContact O-OG1 2.96Å; N781-V844 HydrophobicContact CB-CG1 3.79Å; N781-P845 PolarHBondContact ND2-O 3.39Å; N781-D847 PolarHBondContact ND2-OD1 3.24Å; N781-D847 PolarHBondContact OD1-OD1 3.08Å; N781-K850 WeakPolarHBondContact ND2-CE 3.46Å; N781-K850 PolarHBondContact ND2-NZ 3.33Å; N781-K850 VanDerWaalsContact ND2-NZ 3.16Å; N781-K850 PolarHBondContact OD1-NZ 3.23Å
782	T	88.1	Confident	87.3	Confident	7 Å²	7	42.8 Å²	42.8	4%	0.043	22%	0.221	C	C	.	.	H	α-helix	trans	-60.2	-50.6	170.7	-47.2	0	0	0	0	110.5	F711 R778 I779 N784 W785 S791 A794 F840	F711-T782 HydrophobicContact CE1-CG2 4.04Å; F711-T782 WeakPolarHBondContact CE1-O 3.23Å; F711-T782 HydrophobicContact CZ-CG2 3.89Å; R778-T782 PolarHBondContact O-N 3.19Å; R778-T782 PolarHBondContact O-OG1 3.37Å; I779-T782 WeakPolarHBondContact O-CB 3.46Å; I779-T782 PolarHBondContact O-N 3.33Å; I779-T782 VanDerWaalsContact O-N 3.14Å; T782-N784 VanDerWaalsContact C-N 3.28Å; T782-N784 PolarHBondContact O-N 2.99Å; T782-W785 PolarHBondContact O-N 3.15Å; T782-S791 PolarHBondContact O-OG 2.86Å; T782-A794 HydrophobicContact CG2-CB 4.36Å; T782-F840 HydrophobicContact CG2-CE1 4.03Å; T782-F840 HydrophobicContact CG2-CZ 4.3Å
783	F	85.7	Confident	87.5	Confident	44 Å²	44	40.2 Å²	40.2	19%	0.193	21%	0.205	C	C	.	.	H	α-helix	trans	-67.9	-22.4	178.3	-71.7	-69.2	0	0	0	114.5	M707 F711 N714 I779 K780 W785	M707-F783 HydrophobicContact CE-CE1 3.95Å; M707-F783 HydrophobicContact CE-CE2 4.49Å; M707-F783 HydrophobicContact CE-CZ 3.45Å; M707-F783 VanDerWaalsContact CE-CZ 3.45Å; F711-F783 HydrophobicContact CD1-CD1 4.31Å; F711-F783 AromaticContact CD2-CD1 3.84Å; F711-F783 HydrophobicContact CD2-CD1 3.84Å; F711-F783 AromaticContact CD2-CE1 3.71Å; F711-F783 HydrophobicContact CD2-CE1 3.71Å; F711-F783 HydrophobicContact CE1-CD1 4.13Å; F711-F783 AromaticContact CE2-CD1 3.61Å; F711-F783 HydrophobicContact CE2-CD1 3.61Å; F711-F783 AromaticContact CE2-CE1 3.27Å; F711-F783 HydrophobicContact CE2-CE1 3.27Å; F711-F783 HydrophobicContact CE2-CZ 4.12Å; F711-F783 HydrophobicContact CG-CD1 4.18Å; F711-F783 HydrophobicContact CG-CE1 4.49Å; F711-F783 AromaticContact CZ-CD1 3.77Å; F711-F783 HydrophobicContact CZ-CD1 3.77Å; F711-F783 AromaticContact CZ-CE1 3.76Å; F711-F783 HydrophobicContact CZ-CE1 3.76Å; F711-F783 HydrophobicContact CZ-CG 4.47Å; F711-F783 HydrophobicContact CZ-CZ 4.45Å; N714-F783 WeakPolarHBondContact CB-O 3.33Å; N714-F783 PolarHBondContact ND2-O 2.95Å; I779-F783 HydrophobicContact CG2-CD2 4Å; I779-F783 HydrophobicContact CG2-CE2 3.73Å; I779-F783 VanDerWaalsContact O-CD2 3.23Å; I779-F783 WeakPolarHBondContact O-CD2 3.42Å; I779-F783 PolarHBondContact O-N 3.46Å; K780-F783 PolarHBondContact O-N 3.32Å; F783-W785 VanDerWaalsContact C-N 3.34Å
784	N	85.1	Confident	87.6	Confident	83 Å²	83	40.9 Å²	40.9	44%	0.444	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	15	177.2	-73.8	-9.2	0	0	0	113.3	K780 N781 T782 T786	K780-N784 WeakPolarHBondContact O-CB 3.23Å; K780-N784 VanDerWaalsContact O-CG 3.28Å; K780-N784 PolarHBondContact O-N 3.28Å; N781-N784 PolarHBondContact O-N 3.28Å; T782-N784 VanDerWaalsContact C-N 3.28Å; T782-N784 PolarHBondContact O-N 2.99Å; N784-T786 HydrophobicContact CB-CG2 4.02Å; N784-T786 PolarHBondContact O-N 2.93Å; N784-T786 VanDerWaalsContact O-N 3.12Å
785	W	84.6	Confident	87.8	Confident	50 Å²	50	41.4 Å²	41.4	19%	0.189	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	57	26.7	175.4	-66.8	86	0	0	0	115.2	F711 F715 N781 T782 F783 V787 S791 L792 C795	F711-W785 HydrophobicContact CB-CZ2 4.15Å; F711-W785 HydrophobicContact CD1-CZ2 4.14Å; F711-W785 PolarHBondContact O-NE1 2.94Å; F715-W785 HydrophobicContact CB-CZ2 4.23Å; F715-W785 AromaticContact CD2-CD2 3.96Å; F715-W785 HydrophobicContact CD2-CD2 3.96Å; F715-W785 AromaticContact CD2-CE2 3.91Å; F715-W785 HydrophobicContact CD2-CE3 4.29Å; F715-W785 HydrophobicContact CD2-CG 4.35Å; F715-W785 HydrophobicContact CD2-CZ2 4.21Å; F715-W785 HydrophobicContact CG-CZ2 4.49Å; N781-W785 PolarHBondContact O-N 3.39Å; T782-W785 PolarHBondContact O-N 3.15Å; F783-W785 VanDerWaalsContact C-N 3.34Å; W785-V787 PolarHBondContact O-N 3.1Å; W785-S791 WeakPolarHBondContact CA-OG 3.39Å; W785-S791 VanDerWaalsContact CE3-CB 3.43Å; W785-L792 HydrophobicContact CZ3-CB 4.28Å; W785-C795 HydrophobicContact CH2-CB 4.46Å
786	T	83.1	Confident	87.9	Confident	53 Å²	53	41.8 Å²	41.8	33%	0.325	22%	0.219	S	C	.	.	S	Bend	trans	-71.4	-19.1	-171	69.5	0	0	0	0	113.7	N781 N784	N781-T786 HydrophobicContact CB-CG2 4.1Å; N781-T786 WeakPolarHBondContact CB-OG1 3.29Å; N781-T786 WeakPolarHBondContact O-CG2 3.25Å; N781-T786 PolarHBondContact O-N 3.3Å; N781-T786 PolarHBondContact O-OG1 2.96Å; N784-T786 HydrophobicContact CB-CG2 4.02Å; N784-T786 PolarHBondContact O-N 2.93Å; N784-T786 VanDerWaalsContact O-N 3.12Å
787	V	84.6	Confident	88.3	Confident	25 Å²	25	44.8 Å²	44.8	15%	0.152	23%	0.232	C	C	.	.	S	Bend	trans	-129	96.7	166.1	179.5	0	0	0	0	106.3	L589 W785 F789 L790 S791 P845	L589-V787 HydrophobicContact CD1-CG1 3.76Å; W785-V787 PolarHBondContact O-N 3.1Å; V787-F789 HydrophobicContact CG1-CB 4.41Å; V787-F789 PolarHBondContact O-N 3.15Å; V787-F789 VanDerWaalsContact O-N 3.15Å; V787-L790 HydrophobicContact CB-CB 4.36Å; V787-L790 HydrophobicContact CB-CD1 4.33Å; V787-L790 HydrophobicContact CG1-CB 4.21Å; V787-L790 HydrophobicContact CG1-CD1 4.09Å; V787-L790 HydrophobicContact CG1-CG 4.04Å; V787-L790 PolarHBondContact O-N 3.16Å; V787-L790 VanDerWaalsContact O-N 3.14Å; V787-S791 PolarHBondContact O-N 3.28Å; V787-S791 PolarHBondContact O-OG 3.12Å; V787-P845 HydrophobicContact CG2-CG 3.97Å
788	P	86.5	Confident	88.4	Confident	88 Å²	88	45.6 Å²	45.6	57%	0.571	24%	0.237	S	C	*	.	H	α-helix	trans	-55.4	-35.8	-172.7	-30	36.5	0	0	0	113.9	S791 L792	P788-S791 PolarHBondContact O-N 2.94Å; P788-L792 WeakPolarHBondContact O-CB 3.25Å; P788-L792 PolarHBondContact O-N 2.9Å
789	F	87.7	Confident	88.5	Confident	41 Å²	41	45 Å²	45	18%	0.18	24%	0.242	C	C	.	.	H	α-helix	trans	-57.4	-52.9	176	-177.8	-93.1	0	0	0	112.6	I561 H562 L589 P624 A627 S628 V787 L793	I561-F789 HydrophobicContact CG2-CE1 4.39Å; H562-F789 AromaticContact CE1-CD1 3.95Å; H562-F789 AromaticContact CE1-CE1 3.74Å; H562-F789 AromaticContact NE2-CD1 3.46Å; H562-F789 WeakPolarHBondContact NE2-CD1 3.46Å; H562-F789 AromaticContact NE2-CE1 3.74Å; L589-F789 HydrophobicContact CD1-CB 4.31Å; L589-F789 HydrophobicContact CD2-CB 4.49Å; P624-F789 HydrophobicContact CB-CE2 4.31Å; A627-F789 HydrophobicContact CB-CE1 4.5Å; A627-F789 HydrophobicContact CB-CZ 3.91Å; S628-F789 WeakPolarHBondContact OG-CZ 3.3Å; V787-F789 HydrophobicContact CG1-CB 4.41Å; V787-F789 PolarHBondContact O-N 3.15Å; V787-F789 VanDerWaalsContact O-N 3.15Å; F789-L793 WeakPolarHBondContact O-CB 3.42Å; F789-L793 PolarHBondContact O-N 3.42Å
790	L	88.6	Confident	88.7	Confident	1 Å²	1	47 Å²	47	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-68.5	-40.7	179.5	-71	174.6	0	0	0	111.9	H562 T631 V787 L793 A794 F840 R843 V844	H562-L790 WeakPolarHBondContact NE2-CD2 3.4Å; H562-L790 WeakPolarHBondContact NE2-CG 3.44Å; T631-L790 HydrophobicContact CG2-CD2 3.73Å; V787-L790 HydrophobicContact CB-CB 4.36Å; V787-L790 HydrophobicContact CB-CD1 4.33Å; V787-L790 HydrophobicContact CG1-CB 4.21Å; V787-L790 HydrophobicContact CG1-CD1 4.09Å; V787-L790 HydrophobicContact CG1-CG 4.04Å; V787-L790 PolarHBondContact O-N 3.16Å; V787-L790 VanDerWaalsContact O-N 3.14Å; L790-L793 PolarHBondContact O-N 3Å; L790-A794 WeakPolarHBondContact O-CB 3.33Å; L790-A794 PolarHBondContact O-N 3.44Å; L790-F840 HydrophobicContact CB-CE2 4.22Å; L790-F840 HydrophobicContact CB-CZ 3.99Å; L790-F840 HydrophobicContact CD2-CD2 4.12Å; L790-F840 HydrophobicContact CD2-CE2 3.66Å; L790-F840 HydrophobicContact CD2-CZ 4.21Å; L790-F840 WeakPolarHBondContact O-CZ 3.48Å; L790-R843 HydrophobicContact CD1-CB 4.11Å; L790-V844 HydrophobicContact CD1-CB 4.45Å; L790-V844 HydrophobicContact CD1-CG2 3.7Å
791	S	90.1	Very high	88.8	Confident	0 Å²	0	44 Å²	44	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.7	-38.6	178.4	-60.2	0	0	0	0	112.2	T782 W785 V787 P788 C795	T782-S791 PolarHBondContact O-OG 2.86Å; W785-S791 WeakPolarHBondContact CA-OG 3.39Å; W785-S791 VanDerWaalsContact CE3-CB 3.43Å; V787-S791 PolarHBondContact O-N 3.28Å; V787-S791 PolarHBondContact O-OG 3.12Å; P788-S791 PolarHBondContact O-N 2.94Å; S791-C795 WeakPolarHBondContact O-CB 3.34Å; S791-C795 PolarHBondContact O-N 3.29Å
792	L	90.8	Very high	88.9	Confident	107 Å²	107	45 Å²	45	56%	0.56	25%	0.251	S	S	*	.	H	α-helix	trans	-66.5	-42.7	172.6	-177.5	64.6	0	0	0	111.6	W785 P788 C795 L796	W785-L792 HydrophobicContact CZ3-CB 4.28Å; P788-L792 WeakPolarHBondContact O-CB 3.25Å; P788-L792 PolarHBondContact O-N 2.9Å; L792-C795 WeakPolarHBondContact O-CB 3.35Å; L792-C795 PolarHBondContact O-N 2.99Å; L792-L796 WeakPolarHBondContact O-CB 3.49Å; L792-L796 PolarHBondContact O-N 2.86Å
793	L	90.9	Very high	89.1	Confident	17 Å²	17	48.4 Å²	48.4	9%	0.089	27%	0.272	C	S	.	.	H	α-helix	trans	-62.3	-42.8	176.9	-178.9	58	0	0	0	111.8	T631 F632 F789 L790 L796 I797 F840	T631-L793 HydrophobicContact CG2-CD2 4.25Å; T631-L793 WeakPolarHBondContact OG1-CD2 3.42Å; F632-L793 HydrophobicContact CE2-CD2 3.99Å; F632-L793 HydrophobicContact CE2-CG 4.44Å; F632-L793 HydrophobicContact CZ-CD2 4.01Å; F632-L793 HydrophobicContact CZ-CG 4.24Å; F789-L793 WeakPolarHBondContact O-CB 3.42Å; F789-L793 PolarHBondContact O-N 3.42Å; L790-L793 PolarHBondContact O-N 3Å; L793-L796 PolarHBondContact O-N 2.92Å; L793-I797 HydrophobicContact CD1-CD1 4.06Å; L793-I797 HydrophobicContact CD1-CG1 4.47Å; L793-I797 HydrophobicContact CG-CD1 4.11Å; L793-I797 WeakPolarHBondContact O-CG1 3.29Å; L793-I797 PolarHBondContact O-N 3.13Å; L793-F840 HydrophobicContact CD2-CE2 4.35Å
794	A	90.1	Very high	89.3	Confident	15 Å²	15	49 Å²	49	12%	0.124	28%	0.279	C	S	.	.	H	α-helix	trans	-61.8	-43.2	172.1	0	0	0	0	0	112	F711 T782 L790 L796 I797 L798 F840	F711-A794 HydrophobicContact CZ-CB 3.95Å; T782-A794 HydrophobicContact CG2-CB 4.36Å; L790-A794 WeakPolarHBondContact O-CB 3.33Å; L790-A794 PolarHBondContact O-N 3.44Å; A794-L796 PolarHBondContact O-N 3.41Å; A794-I797 PolarHBondContact O-N 3.42Å; A794-L798 WeakPolarHBondContact O-CB 3.27Å; A794-L798 VanDerWaalsContact O-CG 3.29Å; A794-L798 WeakPolarHBondContact O-CG 3.12Å; A794-L798 PolarHBondContact O-N 3.27Å; A794-F840 HydrophobicContact CB-CE1 4.48Å; A794-F840 HydrophobicContact CB-CZ 3.91Å
795	C	91.4	Very high	89.6	Confident	24 Å²	24	47 Å²	47	16%	0.162	27%	0.268	C	S	.	.	H	α-helix	trans	-62.8	-40.3	176.9	-165.8	0	0	0	0	112.3	W785 S791 L792 L798 A799	W785-C795 HydrophobicContact CH2-CB 4.46Å; S791-C795 WeakPolarHBondContact O-CB 3.34Å; S791-C795 PolarHBondContact O-N 3.29Å; L792-C795 WeakPolarHBondContact O-CB 3.35Å; L792-C795 PolarHBondContact O-N 2.99Å; C795-L798 PolarHBondContact O-N 3.22Å; C795-A799 WeakPolarHBondContact O-CB 3.49Å; C795-A799 PolarHBondContact O-N 3Å
796	L	92	Very high	89.9	Confident	92 Å²	92	51.5 Å²	51.5	48%	0.482	29%	0.286	S	S	.	.	H	α-helix	trans	-66.4	-42.4	176.2	-179.1	151.4	0	0	0	111.7	L792 L793 A794 A799 I800	L792-L796 WeakPolarHBondContact O-CB 3.49Å; L792-L796 PolarHBondContact O-N 2.86Å; L793-L796 PolarHBondContact O-N 2.92Å; A794-L796 PolarHBondContact O-N 3.41Å; L796-A799 PolarHBondContact O-N 2.83Å; L796-I800 HydrophobicContact CD2-CD1 3.65Å; L796-I800 HydrophobicContact CD2-CG1 4.45Å; L796-I800 WeakPolarHBondContact O-CG1 3.35Å; L796-I800 PolarHBondContact O-N 3.34Å
797	I	91	Very high	90.2	Very high	72 Å²	72	56.2 Å²	56.2	37%	0.369	30%	0.303	S	S	.	.	H	α-helix	trans	-66.4	-40	176.1	-70.6	166.6	0	0	0	111	F632 L793 A794 A799 I800 A801	F632-I797 HydrophobicContact CE1-CD1 4.11Å; F632-I797 HydrophobicContact CE2-CD1 3.88Å; F632-I797 HydrophobicContact CZ-CD1 3.3Å; L793-I797 HydrophobicContact CD1-CD1 4.06Å; L793-I797 HydrophobicContact CD1-CG1 4.47Å; L793-I797 HydrophobicContact CG-CD1 4.11Å; L793-I797 WeakPolarHBondContact O-CG1 3.29Å; L793-I797 PolarHBondContact O-N 3.13Å; A794-I797 PolarHBondContact O-N 3.42Å; I797-A799 VanDerWaalsContact C-N 3.34Å; I797-I800 PolarHBondContact O-N 3.45Å; I797-A801 WeakPolarHBondContact O-CB 3.44Å; I797-A801 PolarHBondContact O-N 2.81Å
798	L	91.4	Very high	90.5	Very high	37 Å²	37	58.6 Å²	58.6	19%	0.194	31%	0.314	C	S	.	.	H	α-helix	trans	-63.4	-38.9	172.8	-71.7	170.3	0	0	0	111.9	P704 M707 F711 A794 C795 A801 T802	P704-L798 HydrophobicContact CB-CD2 3.86Å; M707-L798 HydrophobicContact CB-CD1 4.02Å; M707-L798 HydrophobicContact CB-CD2 4.28Å; F711-L798 HydrophobicContact CD2-CD1 3.88Å; F711-L798 HydrophobicContact CE2-CD1 3.64Å; A794-L798 WeakPolarHBondContact O-CB 3.27Å; A794-L798 VanDerWaalsContact O-CG 3.29Å; A794-L798 WeakPolarHBondContact O-CG 3.12Å; A794-L798 PolarHBondContact O-N 3.27Å; C795-L798 PolarHBondContact O-N 3.22Å; L798-A801 WeakPolarHBondContact O-CB 3.5Å; L798-A801 PolarHBondContact O-N 3.45Å; L798-T802 WeakPolarHBondContact O-CG2 3.22Å; L798-T802 PolarHBondContact O-N 2.92Å
799	A	92.6	Very high	90.6	Very high	35 Å²	35	57.7 Å²	57.7	29%	0.289	31%	0.308	S	S	.	.	H	α-helix	trans	-67.6	-39.7	175.8	0	0	0	0	0	112.9	L708 C795 L796 I797 A801 T802 V803	L708-A799 HydrophobicContact CD1-CB 3.9Å; C795-A799 WeakPolarHBondContact O-CB 3.49Å; C795-A799 PolarHBondContact O-N 3Å; L796-A799 PolarHBondContact O-N 2.83Å; I797-A799 VanDerWaalsContact C-N 3.34Å; A799-A801 VanDerWaalsContact C-N 3.3Å; A799-T802 PolarHBondContact O-N 2.85Å; A799-T802 PolarHBondContact O-OG1 3.36Å; A799-V803 WeakPolarHBondContact O-CG2 3.42Å; A799-V803 PolarHBondContact O-N 2.97Å; A799-V803 VanDerWaalsContact O-N 3.15Å
800	I	91.9	Very high	90.5	Very high	100 Å²	100	59.1 Å²	59.1	51%	0.513	32%	0.317	S	S	.	.	H	α-helix	trans	-64	-40	171.1	-68	173.8	0	0	0	109.8	L796 I797 V803 V804	L796-I800 HydrophobicContact CD2-CD1 3.65Å; L796-I800 HydrophobicContact CD2-CG1 4.45Å; L796-I800 WeakPolarHBondContact O-CG1 3.35Å; L796-I800 PolarHBondContact O-N 3.34Å; I797-I800 PolarHBondContact O-N 3.45Å; I800-V803 PolarHBondContact O-N 3.48Å; I800-V804 HydrophobicContact CG2-CG2 4.16Å; I800-V804 WeakPolarHBondContact O-CB 3.3Å; I800-V804 VanDerWaalsContact O-CG2 3.27Å; I800-V804 WeakPolarHBondContact O-CG2 3.49Å; I800-V804 PolarHBondContact O-N 2.87Å
801	A	90.5	Very high	90.5	Very high	32 Å²	32	67.2 Å²	67.2	26%	0.264	35%	0.347	S	S	.	.	H	α-helix	trans	-65.9	-36.9	177.7	0	0	0	0	0	113.4	P704 I797 L798 A799 L805	P704-A801 HydrophobicContact CB-CB 4.24Å; P704-A801 HydrophobicContact CG-CB 4.21Å; I797-A801 WeakPolarHBondContact O-CB 3.44Å; I797-A801 PolarHBondContact O-N 2.81Å; L798-A801 WeakPolarHBondContact O-CB 3.5Å; L798-A801 PolarHBondContact O-N 3.45Å; A799-A801 VanDerWaalsContact C-N 3.3Å; A801-L805 VanDerWaalsContact O-CB 3.3Å; A801-L805 WeakPolarHBondContact O-CB 3.25Å; A801-L805 WeakPolarHBondContact O-CG 3.5Å; A801-L805 PolarHBondContact O-N 3.3Å
802	T	91.3	Very high	90.4	Very high	21 Å²	21	72.6 Å²	72.6	13%	0.129	37%	0.369	C	S	.	.	H	α-helix	trans	-64.9	-47.8	172.9	55.7	0	0	0	0	111.2	P704 L705 L798 A799 V804 L805 Y806	P704-T802 HydrophobicContact CB-CG2 3.8Å; L705-T802 HydrophobicContact CB-CG2 3.76Å; L705-T802 HydrophobicContact CD1-CG2 4.38Å; L705-T802 VanDerWaalsContact N-CG2 3.31Å; L798-T802 WeakPolarHBondContact O-CG2 3.22Å; L798-T802 PolarHBondContact O-N 2.92Å; A799-T802 PolarHBondContact O-N 2.85Å; A799-T802 PolarHBondContact O-OG1 3.36Å; T802-V804 PolarHBondContact O-N 3.4Å; T802-L805 PolarHBondContact O-N 3.42Å; T802-Y806 VanDerWaalsContact O-CB 3.27Å; T802-Y806 WeakPolarHBondContact O-CB 3.3Å; T802-Y806 PolarHBondContact O-N 3Å
803	V	92.1	Very high	90.3	Very high	80 Å²	80	70 Å²	70	49%	0.485	36%	0.355	S	S	.	.	H	α-helix	trans	-60.4	-44.5	178.6	172.1	0	0	0	0	111.2	A799 I800 Y806 F807	A799-V803 WeakPolarHBondContact O-CG2 3.42Å; A799-V803 PolarHBondContact O-N 2.97Å; A799-V803 VanDerWaalsContact O-N 3.15Å; I800-V803 PolarHBondContact O-N 3.48Å; V803-Y806 PolarHBondContact O-N 2.89Å; V803-F807 HydrophobicContact CG1-CD2 3.87Å; V803-F807 HydrophobicContact CG1-CE2 4.03Å; V803-F807 WeakPolarHBondContact O-CD2 3.23Å; V803-F807 PolarHBondContact O-N 2.87Å; V803-F807 VanDerWaalsContact O-N 3.08Å
804	V	90.1	Very high	90.2	Very high	56 Å²	56	74 Å²	74	34%	0.339	38%	0.375	S	S	.	.	H	α-helix	trans	-65	-44.2	177.3	167.5	0	0	0	0	111.7	I800 T802 Y806 I808 I813	I800-V804 HydrophobicContact CG2-CG2 4.16Å; I800-V804 WeakPolarHBondContact O-CB 3.3Å; I800-V804 VanDerWaalsContact O-CG2 3.27Å; I800-V804 WeakPolarHBondContact O-CG2 3.49Å; I800-V804 PolarHBondContact O-N 2.87Å; T802-V804 PolarHBondContact O-N 3.4Å; V804-Y806 VanDerWaalsContact C-N 3.28Å; V804-Y806 PolarHBondContact O-N 2.96Å; V804-I808 HydrophobicContact CG1-CD1 4.41Å; V804-I808 WeakPolarHBondContact O-CA 3.39Å; V804-I808 VanDerWaalsContact O-CB 3.27Å; V804-I808 WeakPolarHBondContact O-CB 3.28Å; V804-I808 PolarHBondContact O-N 3.37Å; V804-I813 HydrophobicContact CG1-CD1 3.82Å; V804-I813 HydrophobicContact CG1-CG1 4.42Å
805	L	90.2	Very high	90.2	Very high	41 Å²	41	78.1 Å²	78.1	22%	0.215	40%	0.395	C	S	.	.	H	α-helix	trans	-72.3	-19.6	177.8	-76.8	164.8	0	0	0	113.9	L700 P704 A801 T802 L810 I813	L700-L805 HydrophobicContact CB-CD2 4.4Å; P704-L805 HydrophobicContact CG-CD1 3.88Å; A801-L805 VanDerWaalsContact O-CB 3.3Å; A801-L805 WeakPolarHBondContact O-CB 3.25Å; A801-L805 WeakPolarHBondContact O-CG 3.5Å; A801-L805 PolarHBondContact O-N 3.3Å; T802-L805 PolarHBondContact O-N 3.42Å; L805-L810 HydrophobicContact CD2-CB 4.48Å; L805-I813 HydrophobicContact CD2-CD1 3.64Å; L805-I813 HydrophobicContact CG-CD1 4.25Å
806	Y	90.6	Very high	90	Very high	144 Å²	144	82.8 Å²	82.8	57%	0.565	42%	0.417	S	S	*	.	H	α-helix	trans	-76.8	-48.3	173.5	-178.9	-98.4	0	0	0	111.5	Y701 T802 V803 V804	Y701-Y806 AromaticContact CD1-CD2 3.86Å; Y701-Y806 HydrophobicContact CD1-CD2 3.86Å; Y701-Y806 AromaticContact CE1-CD2 3.64Å; Y701-Y806 HydrophobicContact CE1-CD2 3.64Å; Y701-Y806 HydrophobicContact CE1-CE2 4.27Å; Y701-Y806 HydrophobicContact CE2-CD2 4.38Å; Y701-Y806 HydrophobicContact CG-CD2 4.33Å; Y701-Y806 AromaticContact CZ-CD2 3.95Å; T802-Y806 VanDerWaalsContact O-CB 3.27Å; T802-Y806 WeakPolarHBondContact O-CB 3.3Å; T802-Y806 PolarHBondContact O-N 3Å; V803-Y806 PolarHBondContact O-N 2.89Å; V804-Y806 VanDerWaalsContact C-N 3.28Å; V804-Y806 PolarHBondContact O-N 2.96Å
807	F	90.6	Very high	89.9	Confident	152 Å²	152	86.6 Å²	86.6	67%	0.667	43%	0.426	S	S	*	.	H	α-helix	trans	-86.2	-26.5	-178.3	-70.8	-65.7	0	0	0	114.7	V803	V803-F807 HydrophobicContact CG1-CD2 3.87Å; V803-F807 HydrophobicContact CG1-CE2 4.03Å; V803-F807 WeakPolarHBondContact O-CD2 3.23Å; V803-F807 PolarHBondContact O-N 2.87Å; V803-F807 VanDerWaalsContact O-N 3.08Å
808	I	89.9	Confident	89.7	Confident	75 Å²	75	83.9 Å²	83.9	39%	0.385	42%	0.415	S	S	.	.	S	Bend	trans	-118.1	109.4	-172.9	-52.7	-175.5	0	0	0	110.3	V804 L810 I813	V804-I808 HydrophobicContact CG1-CD1 4.41Å; V804-I808 WeakPolarHBondContact O-CA 3.39Å; V804-I808 VanDerWaalsContact O-CB 3.27Å; V804-I808 WeakPolarHBondContact O-CB 3.28Å; V804-I808 PolarHBondContact O-N 3.37Å; I808-L810 PolarHBondContact O-N 3.44Å; I808-I813 HydrophobicContact CB-CG1 4.42Å; I808-I813 HydrophobicContact CG2-CG1 3.92Å
809	P	89.3	Confident	89.6	Confident	69 Å²	69	86.4 Å²	86.4	45%	0.448	43%	0.428	S	S	.	.			trans	-55.5	132.2	175	-28.1	35.3	0	0	0	112.3	R811 Y812	P809-R811 HydrophobicContact CB-CG 4.35Å; P809-R811 PolarHBondContact O-N 3.19Å; P809-Y812 HydrophobicContact CB-CD2 4.14Å; P809-Y812 HydrophobicContact CB-CE2 4.41Å; P809-Y812 HydrophobicContact CG-CD2 4.38Å; P809-Y812 HydrophobicContact CG-CE2 4.39Å; P809-Y812 PolarHBondContact O-N 3.47Å
810	L	84.4	Confident	89.3	Confident	72 Å²	72	89.4 Å²	89.4	38%	0.377	44%	0.439	S	S	.	.	H	α-helix	trans	-50	-26.1	-173.1	167.4	149.5	0	0	0	114.8	L700 L805 I808 Y812 I813 I814	L700-L810 HydrophobicContact CD1-CB 3.73Å; L700-L810 HydrophobicContact CD1-CD1 3.76Å; L700-L810 HydrophobicContact CD1-CG 4.26Å; L700-L810 HydrophobicContact CD2-CD1 4.37Å; L805-L810 HydrophobicContact CD2-CB 4.48Å; I808-L810 PolarHBondContact O-N 3.44Å; L810-Y812 VanDerWaalsContact C-N 3.27Å; L810-Y812 PolarHBondContact O-N 3.14Å; L810-I813 PolarHBondContact O-N 3.43Å; L810-I814 HydrophobicContact CD2-CD1 3.49Å; L810-I814 VanDerWaalsContact CD2-CD1 3.49Å; L810-I814 HydrophobicContact CD2-CG1 4.14Å; L810-I814 HydrophobicContact CG-CD1 4.07Å; L810-I814 HydrophobicContact CG-CG1 4.27Å; L810-I814 PolarHBondContact O-N 3.44Å
811	R	88.5	Confident	88.8	Confident	170 Å²	170	89 Å²	89	64%	0.642	43%	0.434	S	S	*	.	H	α-helix	trans	-54.7	-39.5	172.1	73.2	-174	-174.2	-160.6	1.3	113.2	P809 L815	P809-R811 HydrophobicContact CB-CG 4.35Å; P809-R811 PolarHBondContact O-N 3.19Å; R811-L815 VanDerWaalsContact O-CB 3.31Å; R811-L815 WeakPolarHBondContact O-CB 3.37Å; R811-L815 PolarHBondContact O-N 3.35Å
812	Y	89.7	Confident	88.4	Confident	113 Å²	113	95.7 Å²	95.7	44%	0.443	46%	0.457	S	S	.	.	H	α-helix	trans	-77.1	-34	179.1	-63.5	-72.8	0	0	0	111.8	P809 L810 L815 L816	P809-Y812 HydrophobicContact CB-CD2 4.14Å; P809-Y812 HydrophobicContact CB-CE2 4.41Å; P809-Y812 HydrophobicContact CG-CD2 4.38Å; P809-Y812 HydrophobicContact CG-CE2 4.39Å; P809-Y812 PolarHBondContact O-N 3.47Å; L810-Y812 VanDerWaalsContact C-N 3.27Å; L810-Y812 PolarHBondContact O-N 3.14Å; Y812-L815 PolarHBondContact O-N 3.39Å; Y812-L816 VanDerWaalsContact O-CB 3.29Å; Y812-L816 WeakPolarHBondContact O-CB 3.38Å; Y812-L816 PolarHBondContact O-N 2.78Å
813	I	87.3	Confident	88	Confident	54 Å²	54	97.5 Å²	97.5	28%	0.277	47%	0.468	S	S	.	.	H	α-helix	trans	-65.4	-45.9	175.4	-56.1	175.4	0	0	0	109.8	V804 L805 I808 L810 L816 W817	V804-I813 HydrophobicContact CG1-CD1 3.82Å; V804-I813 HydrophobicContact CG1-CG1 4.42Å; L805-I813 HydrophobicContact CD2-CD1 3.64Å; L805-I813 HydrophobicContact CG-CD1 4.25Å; I808-I813 HydrophobicContact CB-CG1 4.42Å; I808-I813 HydrophobicContact CG2-CG1 3.92Å; L810-I813 PolarHBondContact O-N 3.43Å; I813-L816 PolarHBondContact O-N 3.34Å; I813-W817 WeakPolarHBondContact O-CB 3.15Å; I813-W817 PolarHBondContact O-N 2.93Å
814	I	88.4	Confident	87.2	Confident	99 Å²	99	96.2 Å²	96.2	51%	0.508	46%	0.456	S	S	.	.	H	α-helix	trans	-64.5	-40.7	174.7	-70.1	-176.8	0	0	0	111.4	L810 G818	L810-I814 HydrophobicContact CD2-CD1 3.49Å; L810-I814 VanDerWaalsContact CD2-CD1 3.49Å; L810-I814 HydrophobicContact CD2-CG1 4.14Å; L810-I814 HydrophobicContact CG-CD1 4.07Å; L810-I814 HydrophobicContact CG-CG1 4.27Å; L810-I814 PolarHBondContact O-N 3.44Å; I814-G818 PolarHBondContact O-N 2.9Å
815	L	90.3	Very high	86.3	Confident	102 Å²	102	99.4 Å²	99.4	53%	0.534	47%	0.465	S	S	.	.	H	α-helix	trans	-61.9	-48.7	176.4	-178.3	63.1	0	0	0	111.6	R811 Y812 G818 I819	R811-L815 VanDerWaalsContact O-CB 3.31Å; R811-L815 WeakPolarHBondContact O-CB 3.37Å; R811-L815 PolarHBondContact O-N 3.35Å; Y812-L815 PolarHBondContact O-N 3.39Å; L815-G818 PolarHBondContact O-N 3Å; L815-I819 HydrophobicContact CD1-CD1 4.07Å; L815-I819 HydrophobicContact CD1-CG1 4.45Å; L815-I819 HydrophobicContact CG-CD1 3.93Å; L815-I819 WeakPolarHBondContact O-CB 3.25Å; L815-I819 VanDerWaalsContact O-CG1 3.25Å; L815-I819 WeakPolarHBondContact O-CG1 3.43Å; L815-I819 PolarHBondContact O-N 3.11Å
816	L	88.9	Confident	85.6	Confident	122 Å²	122	104.5 Å²	104.5	64%	0.639	49%	0.492	S	S	*	.	H	α-helix	trans	-66.1	-41.3	179.2	-174.4	65.5	0	0	0	111.9	Y812 I813 N820	Y812-L816 VanDerWaalsContact O-CB 3.29Å; Y812-L816 WeakPolarHBondContact O-CB 3.38Å; Y812-L816 PolarHBondContact O-N 2.78Å; I813-L816 PolarHBondContact O-N 3.34Å; L816-N820 VanDerWaalsContact O-CB 3.28Å; L816-N820 WeakPolarHBondContact O-CB 3.32Å; L816-N820 PolarHBondContact O-N 3.13Å
817	W	88.6	Confident	84.9	Confident	173 Å²	173	107.7 Å²	107.7	66%	0.655	50%	0.503	S	S	*	.	H	α-helix	trans	-63.4	-41.7	173.8	177	87.4	0	0	0	112	I813 N820 K821	I813-W817 WeakPolarHBondContact O-CB 3.15Å; I813-W817 PolarHBondContact O-N 2.93Å; W817-N820 PolarHBondContact O-N 2.82Å; W817-K821 WeakPolarHBondContact O-CB 3.41Å; W817-K821 PolarHBondContact O-N 2.81Å
818	G	87.1	Confident	83.8	Confident	14 Å²	14	105 Å²	105	14%	0.144	50%	0.495	C	S	.	.	H	α-helix	trans	-62.7	-52.5	175.4	0	0	0	0	0	111.6	I814 L815 N820 K821 F822	I814-G818 PolarHBondContact O-N 2.9Å; L815-G818 PolarHBondContact O-N 3Å; G818-N820 VanDerWaalsContact C-N 3.28Å; G818-N820 PolarHBondContact O-N 3.38Å; G818-K821 PolarHBondContact O-N 3.45Å; G818-K821 VanDerWaalsContact O-N 3.15Å; G818-F822 WeakPolarHBondContact O-CD2 3.28Å; G818-F822 PolarHBondContact O-N 3.28Å
819	I	90.3	Very high	82.6	Confident	91 Å²	91	105.3 Å²	105.3	47%	0.467	50%	0.502	S	S	.	.	H	α-helix	trans	-53.4	-47.9	174.1	-69.5	164.8	0	0	0	110	L815 T823	L815-I819 HydrophobicContact CD1-CD1 4.07Å; L815-I819 HydrophobicContact CD1-CG1 4.45Å; L815-I819 HydrophobicContact CG-CD1 3.93Å; L815-I819 WeakPolarHBondContact O-CB 3.25Å; L815-I819 VanDerWaalsContact O-CG1 3.25Å; L815-I819 WeakPolarHBondContact O-CG1 3.43Å; L815-I819 PolarHBondContact O-N 3.11Å; I819-T823 HydrophobicContact CG2-CG2 4.36Å; I819-T823 VanDerWaalsContact O-CB 3.32Å; I819-T823 WeakPolarHBondContact O-CB 3.27Å; I819-T823 VanDerWaalsContact O-CG2 3.3Å; I819-T823 WeakPolarHBondContact O-CG2 3.16Å; I819-T823 PolarHBondContact O-N 3.26Å; I819-T823 PolarHBondContact O-OG1 2.81Å
820	N	84.9	Confident	81.3	Confident	98 Å²	98	107.1 Å²	107.1	52%	0.524	50%	0.501	S	S	.	.	H	α-helix	trans	-61.6	-46.4	177.3	-173	31.4	0	0	0	112	L816 W817 G818 F822 T823 K824	L816-N820 VanDerWaalsContact O-CB 3.28Å; L816-N820 WeakPolarHBondContact O-CB 3.32Å; L816-N820 PolarHBondContact O-N 3.13Å; W817-N820 PolarHBondContact O-N 2.82Å; G818-N820 VanDerWaalsContact C-N 3.28Å; G818-N820 PolarHBondContact O-N 3.38Å; N820-F822 PolarHBondContact O-N 3.01Å; N820-T823 PolarHBondContact O-N 2.79Å; N820-T823 PolarHBondContact O-OG1 2.97Å; N820-K824 WeakPolarHBondContact O-CA 3.46Å; N820-K824 VanDerWaalsContact O-CB 3.26Å; N820-K824 WeakPolarHBondContact O-CB 3.47Å; N820-K824 PolarHBondContact O-N 3.23Å
821	K	81.8	Confident	80.3	Confident	92 Å²	92	105 Å²	105	40%	0.4	49%	0.492	S	S	.	.	H	α-helix	trans	-68.4	-35.7	-177.9	-171.9	63.7	-175.6	-179.9	0	112.7	W817 G818 D833	W817-K821 WeakPolarHBondContact O-CB 3.41Å; W817-K821 PolarHBondContact O-N 2.81Å; G818-K821 PolarHBondContact O-N 3.45Å; G818-K821 VanDerWaalsContact O-N 3.15Å; K821-D833 IonicContact NZ-OD1 3.75Å; K821-D833 PolarHBondContact NZ-OD1 3.13Å; K821-D833 IonicContact NZ-OD2 2.69Å; K821-D833 PolarHBondContact NZ-OD2 3.17Å
822	F	82.7	Confident	79.2	Confident	172 Å²	172	99.7 Å²	99.7	75%	0.754	48%	0.476	S	S	*	.	H	α-helix	trans	-71.4	-38.6	172.4	-73	-62.9	0	0	0	112.6	G818 N820	G818-F822 WeakPolarHBondContact O-CD2 3.28Å; G818-F822 PolarHBondContact O-N 3.28Å; N820-F822 PolarHBondContact O-N 3.01Å
823	T	81.9	Confident	78.1	Confident	58 Å²	58	97.7 Å²	97.7	36%	0.356	47%	0.473	S	S	.	.	H	α-helix	trans	-84.1	-17.9	179.9	59.2	0	0	0	0	114.5	I819 N820 K825 L826 R827	I819-T823 HydrophobicContact CG2-CG2 4.36Å; I819-T823 VanDerWaalsContact O-CB 3.32Å; I819-T823 WeakPolarHBondContact O-CB 3.27Å; I819-T823 VanDerWaalsContact O-CG2 3.3Å; I819-T823 WeakPolarHBondContact O-CG2 3.16Å; I819-T823 PolarHBondContact O-N 3.26Å; I819-T823 PolarHBondContact O-OG1 2.81Å; N820-T823 PolarHBondContact O-N 2.79Å; N820-T823 PolarHBondContact O-OG1 2.97Å; T823-K825 VanDerWaalsContact C-N 3.32Å; T823-K825 PolarHBondContact O-N 2.85Å; T823-L826 WeakPolarHBondContact O-CB 3.33Å; T823-L826 PolarHBondContact O-N 3.49Å; T823-R827 PolarHBondContact O-N 3.45Å
824	K	75.9	Confident	77.5	Confident	53 Å²	53	97.8 Å²	97.8	23%	0.23	47%	0.474	C	S	.	.	H	α-helix	trans	-52.1	-48.5	-178.6	-177.2	-178.6	179.5	-170.7	0	111.6	N820 R827 N828 S831 D833	N820-K824 WeakPolarHBondContact O-CA 3.46Å; N820-K824 VanDerWaalsContact O-CB 3.26Å; N820-K824 WeakPolarHBondContact O-CB 3.47Å; N820-K824 PolarHBondContact O-N 3.23Å; K824-R827 PolarHBondContact O-N 2.82Å; K824-N828 PolarHBondContact O-N 3.4Å; K824-S831 VanDerWaalsContact CE-OG 3.31Å; K824-S831 WeakPolarHBondContact CE-OG 3.29Å; K824-D833 IonicContact NZ-OD1 3.85Å; K824-D833 PolarHBondContact NZ-OD1 3.49Å
825	K	72	Confident	77.2	Confident	124 Å²	124	97.1 Å²	97.1	54%	0.539	47%	0.471	S	S	.	.	H	α-helix	trans	-75.5	-19.7	179.7	-66.3	-163.4	173.7	-165.4	0	114.3	T823 P829	T823-K825 VanDerWaalsContact C-N 3.32Å; T823-K825 PolarHBondContact O-N 2.85Å; K825-P829 WeakPolarHBondContact O-CA 3.41Å
826	L	74.5	Confident	76.9	Confident	148 Å²	148	97.8 Å²	97.8	78%	0.775	47%	0.472	S	S	*	.	H	α-helix	trans	-80.8	-36	172.1	-73.8	163.9	0	0	0	111.6	T823	T823-L826 WeakPolarHBondContact O-CB 3.33Å; T823-L826 PolarHBondContact O-N 3.49Å
827	R	75.2	Confident	76.6	Confident	211 Å²	211	97 Å²	97	80%	0.796	47%	0.467	S	S	*	.	H	α-helix	trans	-79.2	-46.2	179.5	-174.3	175.9	179.8	174.5	1.3	112.3	T823 K824	T823-R827 PolarHBondContact O-N 3.45Å; K824-R827 PolarHBondContact O-N 2.82Å
828	N	68.4	Low	76.4	Confident	95 Å²	95	92.7 Å²	92.7	51%	0.508	46%	0.457	S	S	.	.			trans	-127.9	87.4	178.7	-72.2	2.1	0	0	0	109.2	K824 Y830 S831	K824-N828 PolarHBondContact O-N 3.4Å; N828-Y830 PolarHBondContact O-N 3.25Å; N828-Y830 VanDerWaalsContact O-N 3.08Å; N828-S831 PolarHBondContact O-N 2.79Å; N828-S831 PolarHBondContact O-OG 2.99Å
829	P	64.1	Low	76.3	Confident	81 Å²	81	93 Å²	93	53%	0.526	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-20.9	-178.1	24.6	-34.6	0	0	0	113.6	K825	K825-P829 WeakPolarHBondContact O-CA 3.41Å
830	Y	63.3	Low	76.2	Confident	107 Å²	107	89.5 Å²	89.5	42%	0.42	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	11.2	-176.8	-49.5	-45.6	0	0	0	114.2	L357 L456 N828 I832	L357-Y830 HydrophobicContact CD1-CD1 3.58Å; L357-Y830 HydrophobicContact CD1-CD2 4.44Å; L357-Y830 HydrophobicContact CD1-CE1 3.73Å; L357-Y830 HydrophobicContact CD1-CG 3.97Å; L357-Y830 HydrophobicContact CD2-CD1 3.82Å; L357-Y830 HydrophobicContact CD2-CG 3.98Å; L357-Y830 HydrophobicContact CG-CD1 4.27Å; L456-Y830 HydrophobicContact CD2-CE1 4.38Å; N828-Y830 PolarHBondContact O-N 3.25Å; N828-Y830 VanDerWaalsContact O-N 3.08Å; Y830-I832 PolarHBondContact O-N 3.42Å
831	S	62.7	Low	76.2	Confident	27 Å²	27	85.5 Å²	85.5	19%	0.189	42%	0.415	C	S	.	.			trans	-72.3	113.2	177.8	70.6	0	0	0	0	111.2	K824 N828 D833	K824-S831 VanDerWaalsContact CE-OG 3.31Å; K824-S831 WeakPolarHBondContact CE-OG 3.29Å; N828-S831 PolarHBondContact O-N 2.79Å; N828-S831 PolarHBondContact O-OG 2.99Å; S831-D833 PolarHBondContact O-N 3.42Å
832	I	66.1	Low	76.4	Confident	60 Å²	60	82.4 Å²	82.4	31%	0.308	41%	0.405	S	S	.	.			trans	-58	126.4	168.5	-52.1	174.6	0	0	0	108	Q395 Q397 Y830 N834	Q395-I832 HydrophobicContact CB-CG1 4.41Å; Q395-I832 WeakPolarHBondContact O-CD1 3.48Å; Q395-I832 WeakPolarHBondContact O-CG1 3.43Å; Q397-I832 HydrophobicContact CB-CD1 4.4Å; Y830-I832 PolarHBondContact O-N 3.42Å; I832-N834 PolarHBondContact O-N 3.05Å
833	D	65.8	Low	76.5	Confident	70 Å²	70	74.7 Å²	74.7	37%	0.374	37%	0.371	S	S	.	.			trans	-80.5	102.8	174.4	-101.1	-23.8	0	0	0	109	K821 K824 S831	K821-D833 IonicContact NZ-OD1 3.75Å; K821-D833 PolarHBondContact NZ-OD1 3.13Å; K821-D833 IonicContact NZ-OD2 2.69Å; K821-D833 PolarHBondContact NZ-OD2 3.17Å; K824-D833 IonicContact NZ-OD1 3.85Å; K824-D833 PolarHBondContact NZ-OD1 3.49Å; S831-D833 PolarHBondContact O-N 3.42Å
834	N	74	Confident	76.7	Confident	56 Å²	56	72 Å²	72	30%	0.299	36%	0.355	S	S	.	.			trans	-97.8	172.7	175.5	69	-55.5	0	0	0	112	F632 I832 D839	F632-N834 PolarHBondContact O-ND2 3.5Å; I832-N834 PolarHBondContact O-N 3.05Å; N834-D839 WeakPolarHBondContact CB-OD2 3.06Å; N834-D839 PolarHBondContact ND2-OD2 2.86Å
835	N	82.8	Confident	77.1	Confident	85 Å²	85	70.4 Å²	70.4	46%	0.455	35%	0.35	S	S	.	.			trans	-118.2	94.8	175.4	-176.2	-16.4	0	0	0	109.4	L837 L838 D839	N835-L837 PolarHBondContact O-N 3.05Å; N835-L837 PolarHBondContact OD1-N 3.48Å; N835-L838 HydrophobicContact CB-CB 4.22Å; N835-L838 HydrophobicContact CB-CD1 4.09Å; N835-L838 HydrophobicContact CB-CG 4.18Å; N835-L838 WeakPolarHBondContact ND2-CD1 3.48Å; N835-L838 WeakPolarHBondContact O-CA 3.47Å; N835-L838 PolarHBondContact O-N 3.3Å; N835-D839 PolarHBondContact O-N 3.12Å
836	E	83.8	Confident	77.7	Confident	117 Å²	117	64.9 Å²	64.9	55%	0.547	33%	0.326	S	S	.	.	H	α-helix	trans	-50.5	-32.8	-174.7	-63.1	164.9	-158.6	0	0	113.6	F632 F840	F632-E836 HydrophobicContact CB-CB 4.39Å; F632-E836 HydrophobicContact CB-CG 4.43Å; F632-E836 HydrophobicContact CD1-CB 4.31Å; E836-F840 VanDerWaalsContact O-CB 3.31Å; E836-F840 WeakPolarHBondContact O-CB 3.31Å; E836-F840 PolarHBondContact O-N 3.49Å
837	L	82.6	Confident	78	Confident	105 Å²	105	59.7 Å²	59.7	55%	0.55	30%	0.3	S	S	.	.	H	α-helix	trans	-75.8	-36.1	177.9	-179.9	145.8	0	0	0	112.6	N835 L841	N835-L837 PolarHBondContact O-N 3.05Å; N835-L837 PolarHBondContact OD1-N 3.48Å; L837-L841 HydrophobicContact CD2-CD1 3.72Å; L837-L841 HydrophobicContact CG-CD1 4.34Å; L837-L841 WeakPolarHBondContact O-CB 3.11Å; L837-L841 WeakPolarHBondContact O-CG 3.45Å; L837-L841 PolarHBondContact O-N 3.2Å
838	L	83.8	Confident	78.3	Confident	82 Å²	82	50.8 Å²	50.8	43%	0.429	27%	0.268	S	S	.	.	H	α-helix	trans	-71.5	-39.5	171.7	-65.1	-178.9	0	0	0	110.7	F775 N835 F840 L841 S842	F775-L838 HydrophobicContact CD2-CD2 4.2Å; F775-L838 HydrophobicContact CE2-CD2 3.59Å; F775-L838 HydrophobicContact CZ-CD2 4.4Å; N835-L838 HydrophobicContact CB-CB 4.22Å; N835-L838 HydrophobicContact CB-CD1 4.09Å; N835-L838 HydrophobicContact CB-CG 4.18Å; N835-L838 WeakPolarHBondContact ND2-CD1 3.48Å; N835-L838 WeakPolarHBondContact O-CA 3.47Å; N835-L838 PolarHBondContact O-N 3.3Å; L838-F840 PolarHBondContact O-N 2.89Å; L838-L841 PolarHBondContact O-N 3.34Å; L838-S842 WeakPolarHBondContact O-CB 3.41Å; L838-S842 VanDerWaalsContact O-CB 3.3Å; L838-S842 PolarHBondContact O-N 3.2Å
839	D	85.6	Confident	78.9	Confident	22 Å²	22	48.3 Å²	48.3	12%	0.118	25%	0.253	C	S	.	.	H	α-helix	trans	-61.6	-43.5	176.1	-69.6	-34.3	0	0	0	111.3	T631 P634 N834 N835 S842 R843	T631-D839 CarbonylContact O-C 3.53Å; P634-D839 WeakPolarHBondContact CA-OD1 3.33Å; N834-D839 WeakPolarHBondContact CB-OD2 3.06Å; N834-D839 PolarHBondContact ND2-OD2 2.86Å; N835-D839 PolarHBondContact O-N 3.12Å; D839-S842 PolarHBondContact O-OG 2.87Å; D839-R843 PolarHBondContact O-NH1 3.31Å
840	F	88.2	Confident	79.8	Confident	17 Å²	17	47.6 Å²	47.6	8%	0.075	24%	0.242	C	C	.	.	H	α-helix	trans	-61.7	-52.5	172	174.9	-89.2	0	0	0	112	T631 F632 T782 L790 L793 A794 E836 L838 S842 R843 V844	T631-F840 PolarHBondContact O-N 3.23Å; F632-F840 HydrophobicContact CD1-CB 4.19Å; F632-F840 HydrophobicContact CE1-CB 3.87Å; F632-F840 AromaticContact CE1-CD2 3.66Å; F632-F840 HydrophobicContact CE1-CD2 3.66Å; F632-F840 HydrophobicContact CE1-CG 4.07Å; F632-F840 AromaticContact CZ-CD2 3.85Å; F632-F840 HydrophobicContact CZ-CD2 3.85Å; F632-F840 HydrophobicContact CZ-CE2 4.48Å; T782-F840 HydrophobicContact CG2-CE1 4.03Å; T782-F840 HydrophobicContact CG2-CZ 4.3Å; L790-F840 HydrophobicContact CB-CE2 4.22Å; L790-F840 HydrophobicContact CB-CZ 3.99Å; L790-F840 HydrophobicContact CD2-CD2 4.12Å; L790-F840 HydrophobicContact CD2-CE2 3.66Å; L790-F840 HydrophobicContact CD2-CZ 4.21Å; L790-F840 WeakPolarHBondContact O-CZ 3.48Å; L793-F840 HydrophobicContact CD2-CE2 4.35Å; A794-F840 HydrophobicContact CB-CE1 4.48Å; A794-F840 HydrophobicContact CB-CZ 3.91Å; E836-F840 VanDerWaalsContact O-CB 3.31Å; E836-F840 WeakPolarHBondContact O-CB 3.31Å; E836-F840 PolarHBondContact O-N 3.49Å; L838-F840 PolarHBondContact O-N 2.89Å; F840-S842 VanDerWaalsContact C-N 3.27Å; F840-S842 PolarHBondContact O-N 3.49Å; F840-R843 WeakPolarHBondContact O-CB 3.43Å; F840-R843 PolarHBondContact O-N 2.94Å; F840-V844 HydrophobicContact CE1-CG2 4.5Å
841	L	85.8	Confident	80.6	Confident	13 Å²	13	46.5 Å²	46.5	7%	0.068	25%	0.246	C	C	.	.	H	α-helix	trans	-65.6	-28.6	-178	-73.5	172.1	0	0	0	112.8	F775 R778 I779 L837 L838 R843 V844	F775-L841 HydrophobicContact CD2-CD1 4.17Å; F775-L841 HydrophobicContact CE2-CD1 3.51Å; F775-L841 HydrophobicContact CZ-CD1 4.19Å; R778-L841 HydrophobicContact CB-CD2 4.43Å; R778-L841 WeakPolarHBondContact CD-O 3.5Å; R778-L841 PolarHBondContact NE-O 2.9Å; I779-L841 HydrophobicContact CD1-CD1 4.29Å; I779-L841 HydrophobicContact CG1-CD1 3.8Å; I779-L841 HydrophobicContact CG1-CD2 4.06Å; L837-L841 HydrophobicContact CD2-CD1 3.72Å; L837-L841 HydrophobicContact CG-CD1 4.34Å; L837-L841 WeakPolarHBondContact O-CB 3.11Å; L837-L841 WeakPolarHBondContact O-CG 3.45Å; L837-L841 PolarHBondContact O-N 3.2Å; L838-L841 PolarHBondContact O-N 3.34Å; L841-R843 PolarHBondContact O-N 3.37Å; L841-R843 VanDerWaalsContact O-N 3.13Å; L841-V844 HydrophobicContact CD2-CG2 4.49Å; L841-V844 PolarHBondContact O-N 2.98Å; L841-V844 VanDerWaalsContact O-N 3.11Å
842	S	84.4	Confident	81.5	Confident	28 Å²	28	46.9 Å²	46.9	20%	0.196	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-21.9	176.9	80.2	0	0	0	0	113.8	R635 R778 L838 D839 F840	R635-S842 PolarHBondContact NH1-O 3.43Å; R778-S842 PolarHBondContact NH2-O 2.96Å; L838-S842 WeakPolarHBondContact O-CB 3.41Å; L838-S842 VanDerWaalsContact O-CB 3.3Å; L838-S842 PolarHBondContact O-N 3.2Å; D839-S842 PolarHBondContact O-OG 2.87Å; F840-S842 VanDerWaalsContact C-N 3.27Å; F840-S842 PolarHBondContact O-N 3.49Å
843	R	86.3	Confident	82.2	Confident	9 Å²	9	46.3 Å²	46.3	3%	0.034	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-17.2	-179.7	-67.4	171.2	167.9	89.4	-0.3	113.3	D560 H562 R630 T631 S633 L790 D839 F840 L841	D560-R843 IonicContact OD1-NE 2.72Å; D560-R843 IonicContact OD2-CZ 3.52Å; D560-R843 IonicContact OD2-NE 2.7Å; D560-R843 PolarHBondContact OD2-NE 3.35Å; D560-R843 IonicContact OD2-NH2 3.19Å; D560-R843 PolarHBondContact OD2-NH2 2.77Å; H562-R843 HydrophobicContact CB-CB 3.78Å; H562-R843 HydrophobicContact CB-CG 3.94Å; R630-R843 PolarHBondContact O-NH2 2.87Å; R630-R843 VanDerWaalsContact O-NH2 3.12Å; T631-R843 PolarHBondContact O-NH1 2.75Å; S633-R843 VanDerWaalsContact O-CZ 3.28Å; S633-R843 PolarHBondContact O-NH1 3.35Å; S633-R843 PolarHBondContact O-NH2 2.86Å; L790-R843 HydrophobicContact CD1-CB 4.11Å; D839-R843 PolarHBondContact O-NH1 3.31Å; F840-R843 WeakPolarHBondContact O-CB 3.43Å; F840-R843 PolarHBondContact O-N 2.94Å; L841-R843 PolarHBondContact O-N 3.37Å; L841-R843 VanDerWaalsContact O-N 3.13Å
844	V	85.4	Confident	82.8	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.012	24%	0.239	C	C	.	.	S	Bend	trans	-73.5	135.8	169.6	-173.6	0	0	0	0	108.4	R778 N781 L790 F840 L841	R778-V844 HydrophobicContact CB-CB 4.17Å; R778-V844 HydrophobicContact CB-CG1 4.36Å; R778-V844 HydrophobicContact CG-CB 4.07Å; R778-V844 HydrophobicContact CG-CG1 4.39Å; R778-V844 WeakPolarHBondContact CG-O 3.35Å; R778-V844 PolarHBondContact NE-O 3.04Å; N781-V844 HydrophobicContact CB-CG1 3.79Å; L790-V844 HydrophobicContact CD1-CB 4.45Å; L790-V844 HydrophobicContact CD1-CG2 3.7Å; F840-V844 HydrophobicContact CE1-CG2 4.5Å; L841-V844 HydrophobicContact CD2-CG2 4.49Å; L841-V844 PolarHBondContact O-N 2.98Å; L841-V844 VanDerWaalsContact O-N 3.11Å
845	P	84.6	Confident	83	Confident	20 Å²	20	48.2 Å²	48.2	13%	0.13	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-72.7	139.5	175.8	28	-34	0	0	0	111.8	N781 V787 Q849 K850 Y853	N781-P845 PolarHBondContact ND2-O 3.39Å; V787-P845 HydrophobicContact CG2-CG 3.97Å; P845-Q849 HydrophobicContact CB-CB 3.96Å; P845-K850 HydrophobicContact CG-CG 4.3Å; P845-K850 HydrophobicContact CB-CG 4.31Å; P845-Y853 HydrophobicContact CB-CE2 4.49Å
846	S	84.6	Confident	82.6	Confident	7 Å²	7	47.6 Å²	47.6	5%	0.049	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-67.6	167	164.3	70.5	0	0	0	0	111.4	E777 I848 Q849 K850	E777-S846 WeakPolarHBondContact OE2-CB 3.42Å; S846-I848 PolarHBondContact O-N 3.38Å; S846-Q849 PolarHBondContact O-N 3.23Å; S846-Q849 WeakPolarHBondContact OG-CG 3.42Å; S846-Q849 PolarHBondContact OG-N 2.94Å; S846-Q849 PolarHBondContact OG-OE1 3.25Å; S846-K850 PolarHBondContact O-N 3.48Å
847	D	80.6	Confident	81.6	Confident	39 Å²	39	51.4 Å²	51.4	21%	0.209	26%	0.263	C	S	.	.	H	α-helix	trans	-68.4	-25.7	179.4	-75.1	-15.9	0	0	0	112.1	E777 K780 N781 K850	E777-D847 HydrophobicContact CG-CB 4.26Å; E777-D847 PolarHBondContact OE2-N 2.8Å; K780-D847 IonicContact NZ-OD2 2.61Å; K780-D847 PolarHBondContact NZ-OD2 3.3Å; N781-D847 PolarHBondContact ND2-OD1 3.24Å; N781-D847 PolarHBondContact OD1-OD1 3.08Å; D847-K850 WeakPolarHBondContact OD1-CE 3.38Å; D847-K850 IonicContact OD1-NZ 2.75Å; D847-K850 PolarHBondContact OD1-NZ 3.08Å
848	I	81.4	Confident	80.3	Confident	25 Å²	25	51.7 Å²	51.7	13%	0.128	26%	0.264	C	S	.	.	H	α-helix	trans	-66.4	-50.1	168.6	-62.7	178	0	0	0	110.5	S846 K850 V851 Q852	S846-I848 PolarHBondContact O-N 3.38Å; I848-K850 VanDerWaalsContact C-N 3.27Å; I848-K850 PolarHBondContact O-N 2.85Å; I848-V851 PolarHBondContact O-N 3.23Å; I848-Q852 VanDerWaalsContact O-N 3.11Å; I848-Q852 HydrophobicContact CG2-CG 4.42Å; I848-Q852 PolarHBondContact O-N 2.75Å
849	Q	81.7	Confident	78	Confident	43 Å²	43	53.9 Å²	53.9	20%	0.201	29%	0.285	C	S	.	.	H	α-helix	trans	-59.4	-37.5	-178.6	-79.2	174.5	-42.4	0	0	112.1	P845 S846 V851 Q852 Y853	P845-Q849 HydrophobicContact CB-CB 3.96Å; S846-Q849 PolarHBondContact O-N 3.23Å; S846-Q849 WeakPolarHBondContact OG-CG 3.42Å; S846-Q849 PolarHBondContact OG-N 2.94Å; S846-Q849 PolarHBondContact OG-OE1 3.25Å; Q849-V851 VanDerWaalsContact C-N 3.33Å; Q849-V851 PolarHBondContact O-N 3.5Å; Q849-Q852 PolarHBondContact O-N 3.1Å; Q849-Y853 HydrophobicContact CB-CD2 4.3Å; Q849-Y853 HydrophobicContact CB-CE2 3.7Å; Q849-Y853 HydrophobicContact CG-CE2 4.26Å; Q849-Y853 WeakPolarHBondContact O-CB 3.11Å; Q849-Y853 WeakPolarHBondContact O-CD2 3.44Å; Q849-Y853 PolarHBondContact O-N 3.25Å
850	K	82.2	Confident	75.4	Confident	65 Å²	65	56 Å²	56	28%	0.283	31%	0.312	S	S	.	.	H	α-helix	trans	-56.5	-43.2	172.2	-69.6	177.9	-171	162.7	0	113.2	N781 P845 S846 D847 I848 Q852 Y853 A854	N781-K850 WeakPolarHBondContact ND2-CE 3.46Å; N781-K850 PolarHBondContact ND2-NZ 3.33Å; N781-K850 VanDerWaalsContact ND2-NZ 3.16Å; N781-K850 PolarHBondContact OD1-NZ 3.23Å; P845-K850 HydrophobicContact CG-CG 4.3Å; P845-K850 HydrophobicContact CB-CG 4.31Å; S846-K850 PolarHBondContact O-N 3.48Å; D847-K850 WeakPolarHBondContact OD1-CE 3.38Å; D847-K850 IonicContact OD1-NZ 2.75Å; D847-K850 PolarHBondContact OD1-NZ 3.08Å; I848-K850 VanDerWaalsContact C-N 3.27Å; I848-K850 PolarHBondContact O-N 2.85Å; K850-Q852 VanDerWaalsContact C-N 3.34Å; K850-Y853 CarbonylContact O-C 3.58Å; K850-Y853 PolarHBondContact O-N 3.45Å; K850-A854 VanDerWaalsContact O-CB 3.27Å; K850-A854 WeakPolarHBondContact O-CB 3.25Å; K850-A854 PolarHBondContact O-N 3.37Å
851	V	80.6	Confident	72.6	Confident	85 Å²	85	60.8 Å²	60.8	52%	0.515	35%	0.348	S	S	.	.	H	α-helix	trans	-67.6	-38.9	179	176.6	0	0	0	0	110.6	K602 I848 Q849 Y853 A854	K602-V851 PolarHBondContact NZ-O 3.15Å; K602-V851 VanDerWaalsContact NZ-O 3.11Å; I848-V851 PolarHBondContact O-N 3.23Å; Q849-V851 VanDerWaalsContact C-N 3.33Å; Q849-V851 PolarHBondContact O-N 3.5Å; V851-Y853 VanDerWaalsContact C-N 3.34Å; V851-Y853 PolarHBondContact O-N 3.18Å; V851-A854 PolarHBondContact O-N 2.84Å
852	Q	80.4	Confident	70	Confident	34 Å²	34	69.3 Å²	69.3	16%	0.159	39%	0.387	C	S	.	.	H	α-helix	trans	-63.5	-38.7	175.4	-64.3	-178.2	-53.2	0	0	112.1	K602 D605 L606 I848 Q849 K850	K602-Q852 PolarHBondContact NZ-O 3.31Å; D605-Q852 PolarHBondContact O-NE2 2.57Å; L606-Q852 HydrophobicContact CB-CB 3.67Å; L606-Q852 HydrophobicContact CB-CG 3.77Å; L606-Q852 HydrophobicContact CD1-CB 4.12Å; I848-Q852 VanDerWaalsContact O-N 3.11Å; I848-Q852 HydrophobicContact CG2-CG 4.42Å; I848-Q852 PolarHBondContact O-N 2.75Å; Q849-Q852 PolarHBondContact O-N 3.1Å; K850-Q852 VanDerWaalsContact C-N 3.34Å
853	Y	82	Confident	67.2	Low	48 Å²	48	72.6 Å²	72.6	19%	0.188	41%	0.41	C	S	.	.	H	α-helix	trans	-89.4	-10.3	179.3	-51.4	-27.8	0	0	0	114.5	V564 A585 P587 P845 Q849 K850 V851 E855	V564-Y853 HydrophobicContact CB-CE1 4.47Å; V564-Y853 HydrophobicContact CG1-CD1 4.07Å; V564-Y853 HydrophobicContact CG1-CE1 3.85Å; V564-Y853 HydrophobicContact CG2-CE1 4.09Å; V564-Y853 HydrophobicContact CG2-CE2 4Å; A585-Y853 HydrophobicContact CB-CD1 3.82Å; A585-Y853 HydrophobicContact CB-CE1 4.09Å; P587-Y853 HydrophobicContact CG-CD2 3.82Å; P587-Y853 HydrophobicContact CG-CG 3.75Å; P845-Y853 HydrophobicContact CB-CE2 4.49Å; Q849-Y853 HydrophobicContact CB-CD2 4.3Å; Q849-Y853 HydrophobicContact CB-CE2 3.7Å; Q849-Y853 HydrophobicContact CG-CE2 4.26Å; Q849-Y853 WeakPolarHBondContact O-CB 3.11Å; Q849-Y853 WeakPolarHBondContact O-CD2 3.44Å; Q849-Y853 PolarHBondContact O-N 3.25Å; K850-Y853 CarbonylContact O-C 3.58Å; K850-Y853 PolarHBondContact O-N 3.45Å; V851-Y853 VanDerWaalsContact C-N 3.34Å; V851-Y853 PolarHBondContact O-N 3.18Å; Y853-E855 PolarHBondContact O-N 3.44Å
854	A	78.1	Confident	64.7	Low	46 Å²	46	78.1 Å²	78.1	38%	0.38	45%	0.447	S	S	.	.	S	Bend	trans	-64.9	126.2	-179.1	0	0	0	0	0	111.3	K602 K850 V851 L856	K602-A854 WeakPolarHBondContact CE-O 3.35Å; K602-A854 PolarHBondContact NZ-O 3.2Å; K850-A854 VanDerWaalsContact O-CB 3.27Å; K850-A854 WeakPolarHBondContact O-CB 3.25Å; K850-A854 PolarHBondContact O-N 3.37Å; V851-A854 PolarHBondContact O-N 2.84Å; A854-L856 PolarHBondContact O-N 2.79Å
855	E	77.2	Confident	62	Low	120 Å²	120	86 Å²	86	56%	0.561	49%	0.488	S	S	*	.			trans	-64	121.3	173.3	-65.3	-178.2	155.5	0	0	110.3	Y853 K857	Y853-E855 PolarHBondContact O-N 3.44Å; E855-K857 PolarHBondContact O-N 2.94Å
856	L	74.6	Confident	59.4	Low	72 Å²	72	96.3 Å²	96.3	38%	0.377	52%	0.524	S	S	.	.			trans	-83.2	111.2	171.9	-61.4	177.2	0	0	0	107.9	V600 K602 A609 A854 L858	V600-L856 HydrophobicContact CB-CB 4.21Å; V600-L856 HydrophobicContact CG2-CB 4.43Å; V600-L856 VanDerWaalsContact CG2-O 3.3Å; V600-L856 WeakPolarHBondContact CG2-O 3.38Å; K602-L856 HydrophobicContact CD-CD1 4.27Å; K602-L856 HydrophobicContact CG-CD1 4.12Å; A609-L856 HydrophobicContact CB-CD1 3.87Å; A854-L856 PolarHBondContact O-N 2.79Å; L856-L858 PolarHBondContact O-N 3.24Å
857	K	63.6	Low	56.8	Low	197 Å²	197	105.7 Å²	105.7	86%	0.857	56%	0.564	S	S	*	*			trans	-62.2	135.5	176.3	-66.2	-175.1	178.3	-177.2	0	110	E855 C859	E855-K857 PolarHBondContact O-N 2.94Å; K857-C859 PolarHBondContact O-N 2.91Å; K857-C859 VanDerWaalsContact O-N 3.08Å
858	L	54.3	Low	54.4	Low	111 Å²	111	113.6 Å²	113.6	58%	0.581	60%	0.597	S	S	*	*			trans	-52.1	115.5	165.8	-83.2	162.2	0	0	0	109.1	V600 L613 L856 G860	V600-L858 HydrophobicContact CG2-CD2 4.48Å; V600-L858 HydrophobicContact CG2-CG 4.47Å; L613-L858 HydrophobicContact CD1-CD2 4.06Å; L613-L858 HydrophobicContact CD2-CD2 3.79Å; L856-L858 PolarHBondContact O-N 3.24Å; L858-G860 PolarHBondContact O-N 3.26Å
859	C	36	Very low	52	Low	129 Å²	129	123.5 Å²	123.5	87%	0.872	63%	0.632	S	S	*	*			trans	-73.8	114.1	176.6	-159.3	0	0	0	0	107.9	K857	K857-C859 PolarHBondContact O-N 2.91Å; K857-C859 VanDerWaalsContact O-N 3.08Å
860	G	31.3	Very low	49.4	Very low	66 Å²	66	127 Å²	127	68%	0.68	66%	0.662	S	S	*	*			trans	-56.4	141.6	179.4	0	0	0	0	0	111.6	L858 H862	L858-G860 PolarHBondContact O-N 3.26Å; G860-H862 PolarHBondContact O-N 3.33Å
861	S	29.7	Very low	47	Very low	118 Å²	118	129.7 Å²	129.7	83%	0.825	68%	0.684	S	S	*	*	S	Bend	trans	-20.1	121.8	179.7	55.2	0	0	0	0	115.7	S863	S861-S863 PolarHBondContact O-N 3.2Å
862	H	30.5	Very low	44.7	Very low	191 Å²	191	136 Å²	136	88%	0.884	72%	0.722	S	S	*	*			trans	-45.6	111.2	177.3	-75.8	-87.1	0	0	0	113.1	G860	G860-H862 PolarHBondContact O-N 3.33Å
863	S	25.8	Very low	42.9	Very low	98 Å²	98	141.1 Å²	141.1	69%	0.685	75%	0.75	S	S	*	*			trans	-74.3	123.4	151.5	56.2	0	0	0	0	107.8	S861 L865	S861-S863 PolarHBondContact O-N 3.2Å; S863-L865 PolarHBondContact O-N 3.13Å
864	P	33.7	Very low	40.9	Very low	124 Å²	124	145.9 Å²	145.9	81%	0.805	78%	0.78	S	S	*	*			trans	-74.8	96.1	-173.9	27.9	-33.7	0	0	0	110.6	R866	P864-R866 PolarHBondContact O-N 3.31Å
865	L	29.5	Very low	38.8	Very low	168 Å²	168	151.5 Å²	151.5	88%	0.88	80%	0.802	S	S	*	*			trans	-62.2	98.6	172.1	-89.4	168.2	0	0	0	110.2	S863 K867	S863-L865 PolarHBondContact O-N 3.13Å; L865-K867 PolarHBondContact O-N 3.17Å
866	R	29	Very low	36.6	Very low	236 Å²	236	153.4 Å²	153.4	89%	0.891	82%	0.816	S	S	*	*			trans	-59.9	98.1	-172.7	-168.2	178.7	-170.2	178.3	3.4	110.9	P864 K868	P864-R866 PolarHBondContact O-N 3.31Å; R866-K868 PolarHBondContact O-N 3.49Å
867	K	30.7	Very low	34.2	Very low	205 Å²	205	158.4 Å²	158.4	89%	0.891	84%	0.843	S	S	*	*			trans	-52.6	103.1	170.7	-84.5	-171.9	174.1	-178.2	0	109.9	L865 R869	L865-K867 PolarHBondContact O-N 3.17Å; K867-R869 PolarHBondContact O-N 2.71Å
868	K	29.8	Very low	32.2	Very low	205 Å²	205	155.9 Å²	155.9	89%	0.891	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-65.2	126.8	160	-80	-173.4	173.6	-177.2	0	107.3	R866	R866-K868 PolarHBondContact O-N 3.49Å
869	R	30.8	Very low	30.7	Very low	232 Å²	232	159.1 Å²	159.1	88%	0.875	86%	0.861	S	S	*	*	P	Polyproline II helix	trans	-66.9	131	159.1	-74.9	176.5	168.2	162	-5.5	107.3	K867	K867-R869 PolarHBondContact O-N 2.71Å
870	S	28.5	Very low	30.2	Very low	117 Å²	117	161.4 Å²	161.4	82%	0.818	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-69.7	137.9	157	41.4	0	0	0	0	108.6
871	T	31.5	Very low	30.2	Very low	121 Å²	121	169.3 Å²	169.3	74%	0.742	88%	0.875	S	S	*	*			trans	-133.7	136	171.9	48.6	0	0	0	0	106.9
872	V	32.5	Very low	30.2	Very low	217 Å²	217	174 Å²	174	100%	1.315	88%	0.88	S	S	*	*			trans	71.5	0	-159.9	-165.6	0	0	0	0	111.2

Retrieved 872 of 872 residues in 499.2 ms (Link to these results)

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