A0A087YKV1_POEFO Loading...

Sema domain, immunoglobulin domain (Ig), short basic domain, secreted, (semaphorin) 3D

AlphaFold DB , UniProt , Accession A0A087YKV1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 804 aa.

						>A0A087YKV1_POEFO|A0A087YKV1
MATEDSLSKRKNKAWTLFCLPVCNCGREGRRTFVSFHPLVLFVGLILLASLPFGASIKQSVPRVKLSNRELLQAGSIYLFAGPADGLHSHSLLLDEERGSLLLGARDHIYLLDPDNLGKTPRKIHWPALRDRVETCRDAGKSTNLECANFVRVLHNYNRTHVYACGTGAFHPTCAFIEISGQREDGVFQLLPNTADSGRLKCPFDPLQPFASVLSDQYLYVGTSSDFLGKDTTFTRSLGPPPDQHYIRTDISEDYWINEARFISAHPIADTYNPDDDKIYFFFREVSWEGNDKSILSRVARVCKNDVGGLRSLTNKWTTFLKARLVCSIPGPDGVDTHFDELQDVFLLPTRDEKNPIVYAVFSTSSSIFRGSAVCVYSMADIRAAFNGPYAHKEGPDHRWVEYEGRIPYPRPGTCPSKTYDPRIKTTKDFPDEVISFIRFHPLMHHSVYPLAGQPVFTRVRVDYSLTHIVVDRVMADDGQYEVMFLGTDAGSVLKVVSITQEKWSTEEVILEELQVFKVSSPILTLEISSKKQQLYVGSKEGLAQVSLSRCHLYGQACAECCLARDPYCAWDGHTCSRYVPASKRRSRRQDIKNGDPAIQCWDTEDSHGGGNVEERVLFGVQNNSTFLECIPKTQQAQIRWYMQKLGSERREEVKLDDRVVHTDRGLLIRSLHASDAGVYFCVAQEHTHFTHTLLRLTLQLLTHGQLDKKPKLSEDVAELHHNAEARQRYKDYLRVMSSPVHSLEEYCDSLWLDKRASRMRGKSLGHGKWKHMQDMKKNRNRRHHRDREEDKERKSRGRIIRAV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.3	Very low	27.2	Very low	250 Å²	250	157.1 Å²	157.1	100%	1.232	81%	0.811	S	S	*	*				0	124.8	0	-69.6	164.7	161.7	0	0	107.4
2	A	30.1	Very low	27.1	Very low	84 Å²	84	156.8 Å²	156.8	69%	0.694	81%	0.812	S	S	*	*			cis	-154.5	131.2	-12.4	0	0	0	0	0	110.4
3	T	29.4	Very low	27.1	Very low	109 Å²	109	160.5 Å²	160.5	67%	0.669	82%	0.818	S	S	*	*			trans	43.5	124.7	135.6	57.3	0	0	0	0	122.4
4	E	29.7	Very low	27	Very low	177 Å²	177	154.6 Å²	154.6	83%	0.827	81%	0.806	S	S	*	*				77.5	147.9	122	-68.8	169.6	170.2	0	0	120.4
5	D	29.4	Very low	26.9	Very low	137 Å²	137	160.3 Å²	160.3	73%	0.733	81%	0.813	S	S	*	*			cis	-164.2	178.1	-16.9	-174.9	31.4	0	0	0	110.3
6	S	25.1	Very low	27	Very low	103 Å²	103	159.3 Å²	159.3	72%	0.72	82%	0.817	S	S	*	*			trans	121	121.8	142.2	75.5	0	0	0	0	118.1
7	L	25	Very low	27.1	Very low	165 Å²	165	158.4 Å²	158.4	86%	0.864	81%	0.813	S	S	*	*			trans	-88.5	151.2	172.4	-73.9	63.2	0	0	0	111.3
8	S	24.7	Very low	27.1	Very low	96 Å²	96	160.7 Å²	160.7	67%	0.671	82%	0.817	S	S	*	*			trans	-162.2	107.9	145.1	-167	0	0	0	0	116.8
9	K	25.7	Very low	27	Very low	182 Å²	182	158.7 Å²	158.7	79%	0.791	82%	0.817	S	S	*	*			trans	61.8	109.3	136.9	-61.6	169.2	-168.1	157.7	0	122.2
10	R	24.6	Very low	26.9	Very low	228 Å²	228	158.7 Å²	158.7	86%	0.86	82%	0.818	S	S	*	*				51	115.6	116.5	-68.7	178.8	167.7	-178.7	-3.7	120.2
11	K	26	Very low	27.1	Very low	197 Å²	197	157 Å²	157	86%	0.857	82%	0.817	S	S	*	*				174.7	158.9	95.6	-107.6	169.1	-178.3	-178.2	0	114.9
12	N	26.2	Very low	27	Very low	154 Å²	154	152 Å²	152	82%	0.824	80%	0.8	S	S	*	*			trans	-68.8	143.3	-178.6	-44.5	1.7	0	0	0	114.3
13	K	27	Very low	26.8	Very low	204 Å²	204	154.1 Å²	154.1	89%	0.887	81%	0.809	S	S	*	*			trans	-177.5	119.3	131.6	-96.7	162.6	-176.9	-172.4	0	106.8
14	A	26.1	Very low	26.8	Very low	79 Å²	79	156.3 Å²	156.3	65%	0.653	82%	0.816	S	S	*	*				82.4	102.6	53.5	0	0	0	0	0	113.5
15	W	25.7	Very low	26.7	Very low	240 Å²	240	154.2 Å²	154.2	91%	0.909	82%	0.82	S	S	*	*			trans	45.7	119.2	153.4	-63	76.9	0	0	0	119.4
16	T	27.5	Very low	26.7	Very low	143 Å²	143	150.9 Å²	150.9	88%	0.877	82%	0.818	S	S	*	*			trans	-140.2	140.5	158.8	-48.7	0	0	0	0	108.6
17	L	28.8	Very low	26.9	Very low	145 Å²	145	158.1 Å²	158.1	76%	0.759	83%	0.829	S	S	*	*			trans	-92.5	166.4	-167.3	-130.2	73	0	0	0	113.4
18	F	27.3	Very low	27.3	Very low	200 Å²	200	159.7 Å²	159.7	88%	0.877	83%	0.832	S	S	*	*			trans	-58.5	148.3	174.1	-82.4	-106.6	0	0	0	112.7
19	C	25.2	Very low	27.6	Very low	122 Å²	122	158.4 Å²	158.4	82%	0.824	84%	0.835	S	S	*	*			trans	-112.9	140.9	160.4	-68.8	0	0	0	0	109.1
20	L	25.2	Very low	27.8	Very low	158 Å²	158	161.2 Å²	161.2	83%	0.827	84%	0.84	S	S	*	*			trans	-125.7	142.5	166.5	-80.4	171.6	0	0	0	108.9
21	P	31.1	Very low	27.9	Very low	125 Å²	125	161.6 Å²	161.6	81%	0.812	84%	0.842	S	S	*	*			trans	-81.4	146	-177.3	33.1	-34.7	0	0	0	111.9
22	V	26.7	Very low	28.1	Very low	144 Å²	144	158 Å²	158	87%	0.873	84%	0.836	S	S	*	*			trans	-107.6	136.4	169.8	178	0	0	0	0	108.9
23	C	25.7	Very low	28.3	Very low	129 Å²	129	160 Å²	160	87%	0.872	84%	0.838	S	S	*	*			trans	-66.4	149.6	179.9	-77.7	0	0	0	0	112.7
24	N	29.7	Very low	28.6	Very low	154 Å²	154	155.5 Å²	155.5	82%	0.824	83%	0.827	S	S	*	*			trans	-95.8	125.6	-174.5	-169.4	7.5	0	0	0	111.5
25	C	28.1	Very low	29	Very low	134 Å²	134	156.6 Å²	156.6	91%	0.905	83%	0.83	S	S	*	*			trans	-148.3	117.6	164.7	-95.4	0	0	0	0	108.9
26	G	28.5	Very low	29.6	Very low	67 Å²	67	153.9 Å²	153.9	69%	0.691	83%	0.825	S	S	*	*			trans	-112.1	150.1	-175.4	0	0	0	0	0	113.5
27	R	29.9	Very low	30.5	Very low	254 Å²	254	153.6 Å²	153.6	96%	0.958	81%	0.813	S	S	*	*			trans	-159.7	160.4	147	-113.7	168.9	-177.9	174.8	1	110.6
28	E	34.8	Very low	31.5	Very low	198 Å²	198	151.3 Å²	151.3	93%	0.925	81%	0.807	S	S	*	*			trans	-79.7	151.2	-170.2	-59.5	156.7	101.4	0	0	112.7
29	G	30.8	Very low	32.6	Very low	70 Å²	70	148 Å²	148	72%	0.722	80%	0.798	S	S	*	*			trans	169.2	100.6	168.9	0	0	0	0	0	115.9
30	R	28.1	Very low	33.9	Very low	240 Å²	240	147.4 Å²	147.4	91%	0.906	79%	0.791	S	S	*	*			trans	43.1	117	159.2	-71.5	179.7	168.8	165.7	-3.2	119	T32	R30-T32 PolarHBondContact O-N 3.49Å
31	R	28.5	Very low	35.3	Very low	237 Å²	237	145.5 Å²	145.5	89%	0.894	78%	0.78	S	S	*	*			trans	-72.1	123.4	158.3	-70.8	179	175.6	165.6	-1.8	110.7
32	T	29.9	Very low	36.4	Very low	120 Å²	120	146.4 Å²	146.4	74%	0.736	77%	0.772	S	S	*	*			trans	-117.8	116.2	158.9	48.4	0	0	0	0	109	R30 V34	R30-T32 PolarHBondContact O-N 3.49Å; T32-V34 PolarHBondContact O-N 3.23Å
33	F	30.5	Very low	37.9	Very low	198 Å²	198	143.2 Å²	143.2	87%	0.868	75%	0.753	S	S	*	*			trans	-73.1	117.8	172.9	-92.1	-94	0	0	0	109.8
34	V	32.6	Very low	39.1	Very low	108 Å²	108	138.4 Å²	138.4	66%	0.655	73%	0.725	S	S	*	*			trans	-107.3	122.4	166.2	179.9	0	0	0	0	107.7	T32 F36	T32-V34 PolarHBondContact O-N 3.23Å; V34-F36 PolarHBondContact O-N 3.37Å
35	S	35.5	Very low	40.2	Very low	102 Å²	102	136.3 Å²	136.3	71%	0.713	71%	0.713	S	S	*	*			trans	-75.3	104.5	-179.4	50.8	0	0	0	0	111	H37	S35-H37 PolarHBondContact O-N 3.15Å; S35-H37 VanDerWaalsContact O-N 3.15Å
36	F	37.5	Very low	41.4	Very low	184 Å²	184	135 Å²	135	81%	0.807	70%	0.696	S	S	*	*			trans	-67.7	108.1	173.5	-83.6	-96.7	0	0	0	110.9	V34	V34-F36 PolarHBondContact O-N 3.37Å
37	H	45.7	Very low	42.1	Very low	136 Å²	136	136.9 Å²	136.9	63%	0.63	69%	0.69	S	S	*	*			trans	-70.6	126	170	-100.9	-79.9	0	0	0	110.2	S35 L39 V40	S35-H37 PolarHBondContact O-N 3.15Å; S35-H37 VanDerWaalsContact O-N 3.15Å; H37-L39 PolarHBondContact O-N 3.37Å; H37-L39 VanDerWaalsContact O-N 3.07Å; H37-V40 PolarHBondContact O-N 3.23Å
38	P	51	Low	42.7	Very low	98 Å²	98	130.1 Å²	130.1	64%	0.636	67%	0.672	S	S	*	*	H	α-helix	trans	-64.8	-17.6	-175.9	25	-34.5	0	0	0	113.8	V40 L41 F42	P38-V40 VanDerWaalsContact C-N 3.29Å; P38-V40 PolarHBondContact O-N 3.4Å; P38-L41 PolarHBondContact O-N 3.22Å; P38-F42 PolarHBondContact O-N 2.94Å
39	L	49.6	Very low	42.9	Very low	130 Å²	130	125 Å²	125	68%	0.681	66%	0.663	S	S	*	*	H	α-helix	trans	-60.6	-36	176.9	-150	79.7	0	0	0	112.6	H37 F42 V43	H37-L39 PolarHBondContact O-N 3.37Å; H37-L39 VanDerWaalsContact O-N 3.07Å; L39-F42 PolarHBondContact O-N 3.3Å; L39-V43 WeakPolarHBondContact O-CG2 3.45Å; L39-V43 PolarHBondContact O-N 3.07Å
40	V	53.7	Low	43.2	Very low	110 Å²	110	125.4 Å²	125.4	67%	0.667	66%	0.655	S	S	*	*	H	α-helix	trans	-68.9	-39.6	-177.4	-176.2	0	0	0	0	111.1	H37 P38 G44	H37-V40 PolarHBondContact O-N 3.23Å; P38-V40 VanDerWaalsContact C-N 3.29Å; P38-V40 PolarHBondContact O-N 3.4Å; V40-G44 PolarHBondContact O-N 3.36Å
41	L	52.9	Low	43.3	Very low	117 Å²	117	118.5 Å²	118.5	61%	0.613	64%	0.636	S	S	*	*	H	α-helix	trans	-64.1	-41	173.5	-90	160.2	0	0	0	111.7	P38 G44 L45	P38-L41 PolarHBondContact O-N 3.22Å; L41-G44 PolarHBondContact O-N 3.38Å; L41-L45 WeakPolarHBondContact O-CB 3.45Å; L41-L45 PolarHBondContact O-N 3Å
42	F	54.6	Low	43.5	Very low	144 Å²	144	112.8 Å²	112.8	63%	0.632	63%	0.629	S	S	*	*	H	α-helix	trans	-68.1	-42	179	-127	-85	0	0	0	112.6	P38 L39 L45 I46	P38-F42 PolarHBondContact O-N 2.94Å; L39-F42 PolarHBondContact O-N 3.3Å; F42-L45 PolarHBondContact O-N 2.91Å; F42-I46 HydrophobicContact CD1-CD1 4.07Å; F42-I46 WeakPolarHBondContact O-CG1 3.36Å; F42-I46 PolarHBondContact O-N 2.93Å
43	V	58.3	Low	43.6	Very low	78 Å²	78	116.1 Å²	116.1	47%	0.473	63%	0.634	S	S	.	*	H	α-helix	trans	-65.1	-40	174.2	171.1	0	0	0	0	111.1	L39 I46 L47	L39-V43 WeakPolarHBondContact O-CG2 3.45Å; L39-V43 PolarHBondContact O-N 3.07Å; V43-I46 PolarHBondContact O-N 3.42Å; V43-L47 HydrophobicContact CG1-CD1 4.08Å; V43-L47 WeakPolarHBondContact O-CB 3.45Å; V43-L47 PolarHBondContact O-N 2.91Å
44	G	51.8	Low	43.7	Very low	28 Å²	28	109.5 Å²	109.5	29%	0.289	62%	0.621	S	S	.	*	H	α-helix	trans	-62.3	-41.7	173.9	0	0	0	0	0	113.4	V40 L41 L47 L48	V40-G44 PolarHBondContact O-N 3.36Å; L41-G44 PolarHBondContact O-N 3.38Å; G44-L47 PolarHBondContact O-N 2.94Å; G44-L48 WeakPolarHBondContact O-CB 3.36Å; G44-L48 WeakPolarHBondContact O-CG 3.42Å; G44-L48 PolarHBondContact O-N 2.99Å
45	L	52.3	Low	43.6	Very low	109 Å²	109	109 Å²	109	57%	0.571	63%	0.629	S	S	*	*	H	α-helix	trans	-65.1	-39.4	174.7	-96.1	150	0	0	0	112.8	L41 F42 L48 A49	L41-L45 WeakPolarHBondContact O-CB 3.45Å; L41-L45 PolarHBondContact O-N 3Å; F42-L45 PolarHBondContact O-N 2.91Å; L45-L48 PolarHBondContact O-N 3.39Å; L45-A49 WeakPolarHBondContact O-CB 3.46Å; L45-A49 PolarHBondContact O-N 3.29Å
46	I	52.3	Low	43.6	Very low	108 Å²	108	107.9 Å²	107.9	55%	0.554	62%	0.621	S	S	*	*	H	α-helix	trans	-68.3	-39.6	175.2	-69.2	167.6	0	0	0	110.9	F42 V43 A49 S50	F42-I46 HydrophobicContact CD1-CD1 4.07Å; F42-I46 WeakPolarHBondContact O-CG1 3.36Å; F42-I46 PolarHBondContact O-N 2.93Å; V43-I46 PolarHBondContact O-N 3.42Å; I46-A49 CarbonylContact O-C 3.59Å; I46-A49 PolarHBondContact O-N 2.96Å; I46-S50 WeakPolarHBondContact O-CB 3.5Å; I46-S50 PolarHBondContact O-N 3.48Å
47	L	44.8	Very low	43.9	Very low	106 Å²	106	104.3 Å²	104.3	56%	0.555	61%	0.609	S	S	*	*	H	α-helix	trans	-62.3	-46.2	173.5	-90.9	158.7	0	0	0	111.8	V43 G44 A49 S50 L51	V43-L47 HydrophobicContact CG1-CD1 4.08Å; V43-L47 WeakPolarHBondContact O-CB 3.45Å; V43-L47 PolarHBondContact O-N 2.91Å; G44-L47 PolarHBondContact O-N 2.94Å; L47-A49 VanDerWaalsContact C-N 3.3Å; L47-A49 PolarHBondContact O-N 3.39Å; L47-S50 WeakPolarHBondContact CA-OG 3.37Å; L47-S50 WeakPolarHBondContact O-CA 3.44Å; L47-S50 PolarHBondContact O-N 2.71Å; L47-S50 PolarHBondContact O-OG 2.8Å; L47-L51 PolarHBondContact O-N 3.19Å
48	L	41.9	Very low	44.3	Very low	111 Å²	111	107.5 Å²	107.5	58%	0.581	62%	0.621	S	S	*	*	H	α-helix	trans	-60.1	-37.1	174.2	-78.8	162.1	0	0	0	112.6	G44 L45 S50 L51	G44-L48 WeakPolarHBondContact O-CB 3.36Å; G44-L48 WeakPolarHBondContact O-CG 3.42Å; G44-L48 PolarHBondContact O-N 2.99Å; L45-L48 PolarHBondContact O-N 3.39Å; L48-S50 VanDerWaalsContact C-N 3.26Å; L48-S50 PolarHBondContact O-N 3.02Å; L48-L51 HydrophobicContact CD2-CD1 4.27Å
49	A	39.9	Very low	45.1	Very low	90 Å²	90	105.1 Å²	105.1	74%	0.744	60%	0.602	S	S	*	*	H	α-helix	trans	-74.3	-12.2	173.9	0	0	0	0	0	114.1	L45 I46 L47	L45-A49 WeakPolarHBondContact O-CB 3.46Å; L45-A49 PolarHBondContact O-N 3.29Å; I46-A49 CarbonylContact O-C 3.59Å; I46-A49 PolarHBondContact O-N 2.96Å; L47-A49 VanDerWaalsContact C-N 3.3Å; L47-A49 PolarHBondContact O-N 3.39Å
50	S	35.9	Very low	46.3	Very low	79 Å²	79	100.4 Å²	100.4	55%	0.552	58%	0.58	S	S	*	*	H	α-helix	trans	-98.5	-10.5	177.5	75.3	0	0	0	0	114	I46 L47 L48	I46-S50 WeakPolarHBondContact O-CB 3.5Å; I46-S50 PolarHBondContact O-N 3.48Å; L47-S50 WeakPolarHBondContact CA-OG 3.37Å; L47-S50 WeakPolarHBondContact O-CA 3.44Å; L47-S50 PolarHBondContact O-N 2.71Å; L47-S50 PolarHBondContact O-OG 2.8Å; L48-S50 VanDerWaalsContact C-N 3.26Å; L48-S50 PolarHBondContact O-N 3.02Å
51	L	30	Very low	47.8	Very low	95 Å²	95	98.6 Å²	98.6	50%	0.497	57%	0.569	S	S	.	*	S	Bend	trans	-71.2	132.2	172.4	-71.1	173.1	0	0	0	109.8	L47 L48 F53	L47-L51 PolarHBondContact O-N 3.19Å; L48-L51 HydrophobicContact CD2-CD1 4.27Å; L51-F53 HydrophobicContact CB-CD2 4.24Å; L51-F53 HydrophobicContact CD1-CE2 4.47Å; L51-F53 PolarHBondContact O-N 3.44Å
52	P	33.1	Very low	49.6	Very low	118 Å²	118	93.7 Å²	93.7	77%	0.766	54%	0.544	S	S	*	.			trans	-74.9	73.2	176.3	31.8	-35.2	0	0	0	110.8	G54	P52-G54 PolarHBondContact O-N 2.66Å
53	F	31.3	Very low	51.2	Low	189 Å²	189	87.4 Å²	87.4	83%	0.829	52%	0.516	S	S	*	.			trans	-66.3	94.4	173.1	-109.3	-80.7	0	0	0	109.7	L51	L51-F53 HydrophobicContact CB-CD2 4.24Å; L51-F53 HydrophobicContact CD1-CE2 4.47Å; L51-F53 PolarHBondContact O-N 3.44Å
54	G	32.5	Very low	52.8	Low	59 Å²	59	84.6 Å²	84.6	61%	0.608	50%	0.499	S	S	*	.			trans	125.6	77.4	-173.5	0	0	0	0	0	111.8	P52 S56	P52-G54 PolarHBondContact O-N 2.66Å; G54-S56 PolarHBondContact O-N 3.22Å
55	A	31.4	Very low	54.8	Low	97 Å²	97	88.6 Å²	88.6	80%	0.802	51%	0.508	S	S	*	.			trans	-62.4	82.8	147.5	0	0	0	0	0	107.4	I57	A55-I57 PolarHBondContact O-N 3.1Å
56	S	34.8	Very low	56.7	Low	80 Å²	80	83.9 Å²	83.9	56%	0.559	48%	0.484	S	S	*	.			trans	-65.5	109.8	-177	-170.3	0	0	0	0	108.4	G54 K58	G54-S56 PolarHBondContact O-N 3.22Å; S56-K58 PolarHBondContact O-N 2.81Å
57	I	44.5	Very low	58.7	Low	108 Å²	108	81 Å²	81	55%	0.554	47%	0.473	S	S	*	.			trans	-54.5	103.6	176.8	-60.6	171.7	0	0	0	107.4	A55 Q59 R461	A55-I57 PolarHBondContact O-N 3.1Å; I57-Q59 HydrophobicContact CG2-CG 4.32Å; I57-Q59 PolarHBondContact O-N 2.99Å; I57-Q59 VanDerWaalsContact O-N 3.1Å; I57-R461 PolarHBondContact O-NH2 2.97Å
58	K	54.6	Low	61	Low	204 Å²	204	76.8 Å²	76.8	89%	0.887	45%	0.451	S	S	*	.			trans	-72.7	101.2	177.5	-75.4	-172.9	176.2	-176.2	0	107.6	S56	S56-K58 PolarHBondContact O-N 2.81Å
59	Q	67	Low	63.5	Low	48 Å²	48	79.7 Å²	79.7	22%	0.224	45%	0.454	C	S	.	.			trans	-77.1	132.9	-178.9	-65.7	176.3	-105.3	0	0	110.1	I57 V61 V460	I57-Q59 HydrophobicContact CG2-CG 4.32Å; I57-Q59 PolarHBondContact O-N 2.99Å; I57-Q59 VanDerWaalsContact O-N 3.1Å; Q59-V61 PolarHBondContact O-N 2.71Å; Q59-V61 VanDerWaalsContact O-N 3.15Å; Q59-V460 VanDerWaalsContact CD-O 3.32Å; Q59-V460 PolarHBondContact NE2-O 2.85Å; Q59-V460 PolarHBondContact OE1-O 3.32Å; Q59-V460 VanDerWaalsContact OE1-O 3.11Å
60	S	75.1	Confident	66	Low	31 Å²	31	79.5 Å²	79.5	22%	0.217	44%	0.438	C	S	.	.			trans	-58.5	114.9	173.4	-174.3	0	0	0	0	109.6	R459 E508	S60-R459 PolarHBondContact O-NH1 2.66Å; S60-R459 PolarHBondContact O-NH2 3.47Å; S60-R459 VanDerWaalsContact O-NH2 3.15Å; S60-E508 WeakPolarHBondContact CB-O 3.47Å; S60-E508 PolarHBondContact OG-O 2.81Å
61	V	85.3	Confident	68.8	Low	72 Å²	72	75.8 Å²	75.8	44%	0.436	41%	0.412	S	S	.	.			trans	-79.4	141.4	177.5	-170.7	0	0	0	0	108.2	Q59 R63 Q635 Q636	Q59-V61 PolarHBondContact O-N 2.71Å; Q59-V61 VanDerWaalsContact O-N 3.15Å; V61-R63 PolarHBondContact O-N 2.66Å; V61-Q635 HydrophobicContact CG1-CB 3.59Å; V61-Q635 HydrophobicContact CG1-CG 4.46Å; V61-Q636 PolarHBondContact O-NE2 3.11Å
62	P	90.1	Very high	71.8	Confident	13 Å²	13	75 Å²	75	8%	0.084	41%	0.408	C	S	.	.			trans	-51.8	126.1	175.2	-25.3	33.2	0	0	0	112	V64 I510 E513 Q635	P62-V64 VanDerWaalsContact C-N 3.31Å; P62-V64 PolarHBondContact O-N 2.8Å; P62-I510 HydrophobicContact CB-CB 4.44Å; P62-I510 HydrophobicContact CB-CG2 3.75Å; P62-I510 HydrophobicContact CG-CD1 4.32Å; P62-I510 HydrophobicContact CG-CG2 4Å; P62-E513 HydrophobicContact CB-CB 3.79Å; P62-E513 HydrophobicContact CG-CB 3.85Å; P62-Q635 WeakPolarHBondContact O-CB 3.24Å
63	R	89.4	Confident	74.7	Confident	12 Å²	12	75.8 Å²	75.8	5%	0.045	40%	0.401	C	S	.	.	S	Bend	trans	-56.3	-49.1	-179.8	-176.6	-178	171.9	69.6	7.8	110.3	V61 I510 L511 L563 T634 Q635 Q636 E686	V61-R63 PolarHBondContact O-N 2.66Å; R63-I510 WeakPolarHBondContact CB-O 3.32Å; R63-I510 PolarHBondContact N-O 3.43Å; R63-L511 WeakPolarHBondContact CB-O 3.27Å; R63-L563 WeakPolarHBondContact CD-O 3.49Å; R63-L563 PolarHBondContact NE-O 3.26Å; R63-L563 VanDerWaalsContact NE-O 3.15Å; R63-L563 PolarHBondContact NH1-O 2.92Å; R63-L563 VanDerWaalsContact NH2-CB 3.34Å; R63-T634 WeakPolarHBondContact CG-OG1 3.23Å; R63-T634 CarbonylContact O-C 3.55Å; R63-T634 WeakPolarHBondContact O-CA 3.42Å; R63-T634 WeakPolarHBondContact O-CB 3.5Å; R63-T634 PolarHBondContact O-OG1 2.98Å; R63-Q635 PolarHBondContact O-N 2.93Å; R63-Q635 VanDerWaalsContact O-N 3.13Å; R63-Q636 HydrophobicContact CB-CG 4.47Å; R63-E686 IonicContact CZ-OE2 2.7Å; R63-E686 IonicContact NH1-OE2 2.64Å; R63-E686 PolarHBondContact NH1-OE2 3.03Å; R63-E686 IonicContact NH2-OE1 3.12Å; R63-E686 IonicContact NH2-OE2 2.74Å; R63-E686 PolarHBondContact NH2-OE2 2.98Å
64	V	90.9	Very high	77.4	Confident	19 Å²	19	67.9 Å²	67.9	12%	0.115	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	139.5	172.7	-168.4	0	0	0	0	109.6	P62 L66 L511 E512 E513 Y554	P62-V64 VanDerWaalsContact C-N 3.31Å; P62-V64 PolarHBondContact O-N 2.8Å; V64-L66 HydrophobicContact CG1-CD1 4.41Å; V64-L66 HydrophobicContact CG1-CD2 3.76Å; V64-L66 HydrophobicContact CG1-CG 3.88Å; V64-L511 PolarHBondContact N-O 3.23Å; V64-L511 VanDerWaalsContact N-O 3.14Å; V64-E512 CarbonylContact O-C 3.57Å; V64-E512 VanDerWaalsContact O-CA 3.31Å; V64-E512 WeakPolarHBondContact O-CA 3.43Å; V64-E513 PolarHBondContact O-N 3Å; V64-Y554 HydrophobicContact CG2-CD1 4.01Å; V64-Y554 HydrophobicContact CG2-CE1 4.02Å
65	K	92.6	Very high	80.2	Confident	112 Å²	112	68.4 Å²	68.4	49%	0.487	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	127.7	169.8	-175.1	166.9	-172.4	143.5	0	108.8	E513	K65-E513 CarbonylContact C-O 3.55Å; K65-E513 WeakPolarHBondContact CA-O 3.13Å; K65-E513 HydrophobicContact CB-CB 4.45Å; K65-E513 HydrophobicContact CD-CG 4.48Å; K65-E513 VanDerWaalsContact CD-OE2 3.3Å; K65-E513 WeakPolarHBondContact CD-OE2 3.46Å; K65-E513 WeakPolarHBondContact CE-OE1 3.35Å; K65-E513 VanDerWaalsContact CE-OE2 3.23Å; K65-E513 WeakPolarHBondContact CE-OE2 3.17Å; K65-E513 HydrophobicContact CG-CB 4.17Å; K65-E513 HydrophobicContact CG-CG 4.27Å; K65-E513 IonicContact NZ-OE1 2.78Å; K65-E513 PolarHBondContact NZ-OE1 3.49Å; K65-E513 IonicContact NZ-OE2 3.85Å; K65-E513 PolarHBondContact NZ-OE2 2.83Å
66	L	93.3	Very high	83	Confident	11 Å²	11	64.2 Å²	64.2	6%	0.058	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	125.5	-172	-63.9	172.6	0	0	0	110.9	V64 E70 L71 E513 L514 Q515 L553	V64-L66 HydrophobicContact CG1-CD1 4.41Å; V64-L66 HydrophobicContact CG1-CD2 3.76Å; V64-L66 HydrophobicContact CG1-CG 3.88Å; L66-E70 HydrophobicContact CD2-CB 4.45Å; L66-L71 HydrophobicContact CB-CD2 3.8Å; L66-L71 HydrophobicContact CB-CG 4.02Å; L66-L71 HydrophobicContact CD1-CD2 3.76Å; L66-L71 HydrophobicContact CG-CD2 4.42Å; L66-E513 PolarHBondContact N-O 3.38Å; L66-L514 HydrophobicContact CB-CD2 4.34Å; L66-L514 HydrophobicContact CD1-CD2 3.89Å; L66-Q515 PolarHBondContact O-N 2.8Å; L66-L553 HydrophobicContact CD1-CD1 4.35Å; L66-L553 HydrophobicContact CD2-CD1 4.04Å
67	S	94.3	Very high	85.8	Confident	46 Å²	46	61 Å²	61	32%	0.322	32%	0.317	S	S	.	.			trans	-74.3	156.2	173.2	71.3	0	0	0	0	111.7	R69 E70 L71	S67-R69 PolarHBondContact O-N 3.16Å; S67-E70 WeakPolarHBondContact CB-OE2 3.42Å; S67-E70 PolarHBondContact N-OE2 2.89Å; S67-E70 PolarHBondContact O-N 2.74Å; S67-E70 PolarHBondContact OG-N 2.85Å; S67-E70 PolarHBondContact OG-OE2 3.04Å; S67-L71 WeakPolarHBondContact O-CG 3.45Å; S67-L71 PolarHBondContact O-N 3.07Å
68	N	94.1	Very high	88	Confident	18 Å²	18	60.8 Å²	60.8	10%	0.096	31%	0.31	C	S	.	.	H	α-helix	trans	-46.7	-37	170.8	170.9	-99	0	0	0	112.8	L72 Q515 V516	N68-L72 WeakPolarHBondContact O-CB 3.25Å; N68-L72 WeakPolarHBondContact O-CD1 3.33Å; N68-L72 VanDerWaalsContact O-CG 3.3Å; N68-L72 WeakPolarHBondContact O-CG 3.45Å; N68-L72 PolarHBondContact O-N 2.9Å; N68-L72 VanDerWaalsContact O-N 3.13Å; N68-Q515 WeakPolarHBondContact CA-O 3.04Å; N68-Q515 WeakPolarHBondContact CB-O 3.45Å; N68-Q515 PolarHBondContact N-O 3.07Å; N68-Q515 VanDerWaalsContact N-O 3.12Å; N68-V516 PolarHBondContact ND2-O 2.89Å
69	R	93.9	Very high	89.8	Confident	173 Å²	173	53.7 Å²	53.7	65%	0.653	28%	0.281	S	S	*	.	H	α-helix	trans	-65.6	-46.8	177.6	178.5	-179.4	174	164	1.9	112.2	S67 L72 Q73	S67-R69 PolarHBondContact O-N 3.16Å; R69-L72 PolarHBondContact O-N 3.09Å; R69-Q73 WeakPolarHBondContact O-CB 3.34Å; R69-Q73 VanDerWaalsContact O-CG 3.3Å; R69-Q73 WeakPolarHBondContact O-CG 3.37Å; R69-Q73 PolarHBondContact O-N 2.95Å
70	E	92.9	Very high	90.9	Very high	86 Å²	86	52.5 Å²	52.5	40%	0.402	28%	0.276	S	S	.	.	H	α-helix	trans	-68.9	-37.6	-178.8	-69.8	153.5	129.8	0	0	111.2	L66 S67 L72 Q73 A74	L66-E70 HydrophobicContact CD2-CB 4.45Å; S67-E70 WeakPolarHBondContact CB-OE2 3.42Å; S67-E70 PolarHBondContact N-OE2 2.89Å; S67-E70 PolarHBondContact O-N 2.74Å; S67-E70 PolarHBondContact OG-N 2.85Å; S67-E70 PolarHBondContact OG-OE2 3.04Å; E70-L72 VanDerWaalsContact C-N 3.35Å; E70-L72 PolarHBondContact O-N 2.86Å; E70-Q73 PolarHBondContact O-N 3.18Å; E70-A74 VanDerWaalsContact O-CB 3.26Å; E70-A74 WeakPolarHBondContact O-CB 3.42Å; E70-A74 PolarHBondContact O-N 2.85Å
71	L	93.9	Very high	91.2	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.7	-41.9	174.8	-64.1	172	0	0	0	112.1	L66 S67 G75 S76 I77 L514	L66-L71 HydrophobicContact CB-CD2 3.8Å; L66-L71 HydrophobicContact CB-CG 4.02Å; L66-L71 HydrophobicContact CD1-CD2 3.76Å; L66-L71 HydrophobicContact CG-CD2 4.42Å; S67-L71 WeakPolarHBondContact O-CG 3.45Å; S67-L71 PolarHBondContact O-N 3.07Å; L71-G75 PolarHBondContact O-N 3.2Å; L71-S76 PolarHBondContact O-N 2.87Å; L71-I77 HydrophobicContact CB-CB 4.17Å; L71-I77 HydrophobicContact CB-CG2 3.59Å; L71-L514 HydrophobicContact CD1-CB 4.11Å; L71-L514 HydrophobicContact CD2-CD2 3.93Å
72	L	93	Very high	90.3	Very high	80 Å²	80	52.3 Å²	52.3	42%	0.419	29%	0.286	S	S	.	.	H	α-helix	trans	-67.1	-44.2	174.4	-75	166.3	0	0	0	111.8	N68 R69 E70 A74 G75 I77 L79	N68-L72 WeakPolarHBondContact O-CB 3.25Å; N68-L72 WeakPolarHBondContact O-CD1 3.33Å; N68-L72 VanDerWaalsContact O-CG 3.3Å; N68-L72 WeakPolarHBondContact O-CG 3.45Å; N68-L72 PolarHBondContact O-N 2.9Å; N68-L72 VanDerWaalsContact O-N 3.13Å; R69-L72 PolarHBondContact O-N 3.09Å; E70-L72 VanDerWaalsContact C-N 3.35Å; E70-L72 PolarHBondContact O-N 2.86Å; L72-A74 VanDerWaalsContact C-N 3.29Å; L72-A74 PolarHBondContact O-N 2.79Å; L72-G75 PolarHBondContact O-N 3.15Å; L72-G75 VanDerWaalsContact O-N 3.14Å; L72-I77 HydrophobicContact CB-CG2 4.41Å; L72-I77 HydrophobicContact CD2-CG2 3.72Å; L72-I77 HydrophobicContact CG-CG2 3.75Å; L72-L79 HydrophobicContact CD1-CD1 4.22Å; L72-L79 HydrophobicContact CD2-CD1 4.15Å; L72-L79 HydrophobicContact CD2-CG 4.44Å
73	Q	93.1	Very high	89	Confident	134 Å²	134	55.4 Å²	55.4	63%	0.626	31%	0.306	S	S	*	.	H	α-helix	trans	-64.5	-33.1	177.8	-73.6	-179.9	-66.6	0	0	112.6	R69 E70 G75	R69-Q73 WeakPolarHBondContact O-CB 3.34Å; R69-Q73 VanDerWaalsContact O-CG 3.3Å; R69-Q73 WeakPolarHBondContact O-CG 3.37Å; R69-Q73 PolarHBondContact O-N 2.95Å; E70-Q73 PolarHBondContact O-N 3.18Å; Q73-G75 VanDerWaalsContact C-N 3.29Å; Q73-G75 PolarHBondContact O-N 3.18Å
74	A	89.7	Confident	87.5	Confident	23 Å²	23	60.1 Å²	60.1	19%	0.19	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	13.6	175.4	0	0	0	0	0	113.7	E70 L72 S76 L553	E70-A74 VanDerWaalsContact O-CB 3.26Å; E70-A74 WeakPolarHBondContact O-CB 3.42Å; E70-A74 PolarHBondContact O-N 2.85Å; L72-A74 VanDerWaalsContact C-N 3.29Å; L72-A74 PolarHBondContact O-N 2.79Å; A74-S76 PolarHBondContact O-N 2.88Å; A74-S76 PolarHBondContact O-OG 2.74Å; A74-L553 HydrophobicContact CB-CD1 3.96Å; A74-L553 HydrophobicContact CB-CD2 4.26Å; A74-L553 HydrophobicContact CB-CG 4.23Å
75	G	90.7	Very high	86	Confident	70 Å²	70	65.2 Å²	65.2	72%	0.722	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	22.6	177.1	0	0	0	0	0	114.8	L71 L72 Q73	L71-G75 PolarHBondContact O-N 3.2Å; L72-G75 PolarHBondContact O-N 3.15Å; L72-G75 VanDerWaalsContact O-N 3.14Å; Q73-G75 VanDerWaalsContact C-N 3.29Å; Q73-G75 PolarHBondContact O-N 3.18Å
76	S	90.2	Very high	85	Confident	8 Å²	8	60.9 Å²	60.9	6%	0.056	36%	0.361	C	S	.	.			trans	-97.7	-6.9	-168.5	-57.7	0	0	0	0	113.4	L71 A74 S547 R550	L71-S76 PolarHBondContact O-N 2.87Å; A74-S76 PolarHBondContact O-N 2.88Å; A74-S76 PolarHBondContact O-OG 2.74Å; S76-S547 PolarHBondContact O-N 3.49Å; S76-R550 PolarHBondContact OG-NE 3.07Å; S76-R550 PolarHBondContact OG-NH2 3.38Å
77	I	92.6	Very high	84.3	Confident	12 Å²	12	60.4 Å²	60.4	6%	0.062	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	138.3	176.6	-171	169.5	0	0	0	109.7	L71 L72 L79 V516 A544 Q545 V546	L71-I77 HydrophobicContact CB-CB 4.17Å; L71-I77 HydrophobicContact CB-CG2 3.59Å; L72-I77 HydrophobicContact CB-CG2 4.41Å; L72-I77 HydrophobicContact CD2-CG2 3.72Å; L72-I77 HydrophobicContact CG-CG2 3.75Å; I77-L79 HydrophobicContact CD1-CD2 3.66Å; I77-L79 HydrophobicContact CD1-CG 4.37Å; I77-L79 HydrophobicContact CG1-CD2 3.96Å; I77-L79 HydrophobicContact CG1-CG 4.34Å; I77-V516 HydrophobicContact CD1-CB 4.47Å; I77-V516 HydrophobicContact CD1-CG1 3.75Å; I77-V516 VanDerWaalsContact CD1-O 3.26Å; I77-V516 WeakPolarHBondContact CD1-O 3.39Å; I77-A544 HydrophobicContact CD1-CB 3.92Å; I77-A544 HydrophobicContact CG1-CB 4.11Å; I77-Q545 CarbonylContact C-O 3.55Å; I77-Q545 VanDerWaalsContact CA-O 3.24Å; I77-Q545 WeakPolarHBondContact CA-O 3.36Å; I77-V546 HydrophobicContact CD1-CG2 4.06Å; I77-V546 HydrophobicContact CG1-CG2 3.95Å
78	Y	91.9	Very high	83.8	Confident	104 Å²	104	58.8 Å²	58.8	41%	0.408	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	138.7	161.8	-163.5	-78.8	0	0	0	109.4	L117 G118 A544 Q545	Y78-L117 HydrophobicContact CD1-CB 3.54Å; Y78-L117 HydrophobicContact CE1-CB 4.02Å; Y78-L117 HydrophobicContact CG-CB 4.35Å; Y78-G118 WeakPolarHBondContact OH-CA 3.42Å; Y78-A544 CarbonylContact O-C 3.58Å; Y78-A544 WeakPolarHBondContact O-CA 3.49Å; Y78-Q545 PolarHBondContact N-O 2.76Å; Y78-Q545 PolarHBondContact O-N 2.89Å
79	L	91	Very high	83	Confident	55 Å²	55	58 Å²	58	29%	0.288	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	119.8	-177.6	-64.6	174.9	0	0	0	111.1	L72 I77 F517 A544	L72-L79 HydrophobicContact CD1-CD1 4.22Å; L72-L79 HydrophobicContact CD2-CD1 4.15Å; L72-L79 HydrophobicContact CD2-CG 4.44Å; I77-L79 HydrophobicContact CD1-CD2 3.66Å; I77-L79 HydrophobicContact CD1-CG 4.37Å; I77-L79 HydrophobicContact CG1-CD2 3.96Å; I77-L79 HydrophobicContact CG1-CG 4.34Å; L79-F517 HydrophobicContact CD2-CD1 4.4Å; L79-F517 HydrophobicContact CD2-CE1 4.33Å; L79-A544 HydrophobicContact CD2-CB 3.73Å
80	F	89.9	Confident	82.3	Confident	23 Å²	23	50.1 Å²	50.1	10%	0.101	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	96.5	165.9	-177.1	-105.4	0	0	0	109.4	L87 L103 Y110 L112 L117 P121 G542 L543	F80-L87 HydrophobicContact CD1-CD2 3.7Å; F80-L87 HydrophobicContact CE1-CD2 3.68Å; F80-L103 HydrophobicContact CD1-CD2 3.83Å; F80-L103 HydrophobicContact CE1-CD2 3.98Å; F80-Y110 HydrophobicContact CE1-CD1 4.02Å; F80-Y110 HydrophobicContact CE1-CE1 4.31Å; F80-Y110 HydrophobicContact CE1-CG 4.13Å; F80-Y110 AromaticContact CZ-CD1 3.67Å; F80-Y110 HydrophobicContact CZ-CD1 3.67Å; F80-Y110 AromaticContact CZ-CE1 3.89Å; F80-Y110 HydrophobicContact CZ-CE1 3.89Å; F80-Y110 HydrophobicContact CZ-CG 4.24Å; F80-L112 HydrophobicContact CD1-CD1 4.21Å; F80-L112 HydrophobicContact CD1-CD2 4.14Å; F80-L112 HydrophobicContact CD2-CD2 3.87Å; F80-L112 HydrophobicContact CE1-CD1 4.43Å; F80-L112 HydrophobicContact CE1-CD2 4.13Å; F80-L112 HydrophobicContact CE2-CD2 3.88Å; F80-L112 HydrophobicContact CG-CD2 4.02Å; F80-L112 HydrophobicContact CZ-CD2 4.02Å; F80-L117 HydrophobicContact CB-CB 4.46Å; F80-L117 HydrophobicContact CB-CD1 4.23Å; F80-P121 HydrophobicContact CE2-CB 4.29Å; F80-P121 HydrophobicContact CE2-CG 3.73Å; F80-P121 HydrophobicContact CZ-CB 4.26Å; F80-P121 HydrophobicContact CZ-CG 3.81Å; F80-G542 WeakPolarHBondContact O-CA 3.22Å; F80-L543 HydrophobicContact CB-CB 4.31Å; F80-L543 HydrophobicContact CD1-CB 4.49Å; F80-L543 PolarHBondContact N-O 2.66Å; F80-L543 PolarHBondContact O-N 2.78Å
81	A	81.7	Confident	82.2	Confident	72 Å²	72	46.5 Å²	46.5	60%	0.595	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.5	148	178.3	0	0	0	0	0	111.7
82	G	67.9	Low	82.3	Confident	27 Å²	27	47.4 Å²	47.4	28%	0.278	30%	0.301	S	S	.	.			trans	-84.3	-159.8	178.7	0	0	0	0	0	114.4
83	P	61.9	Low	82.4	Confident	79 Å²	79	44.9 Å²	44.9	51%	0.513	29%	0.288	S	S	.	.	S	Bend	trans	-56.7	170.2	161.7	-20.4	34.1	0	0	0	112.3	D85 G86	P83-D85 PolarHBondContact O-N 2.77Å; P83-G86 PolarHBondContact O-N 2.91Å
84	A	57.4	Low	82.4	Confident	110 Å²	110	40 Å²	40	91%	0.909	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.5	-174.6	0	0	0	0	0	115.1	G86	A84-G86 PolarHBondContact O-N 3.45Å
85	D	60.6	Low	82.5	Confident	127 Å²	127	39.5 Å²	39.5	68%	0.679	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	5.9	178.3	-56.4	-36.3	0	0	0	113.7	P83	P83-D85 PolarHBondContact O-N 2.77Å
86	G	71.4	Confident	82.3	Confident	20 Å²	20	39 Å²	39	21%	0.206	24%	0.239	C	C	.	.			trans	87.4	169.2	-173.1	0	0	0	0	0	113.2	P83 A84 K540	P83-G86 PolarHBondContact O-N 2.91Å; A84-G86 PolarHBondContact O-N 3.45Å; G86-K540 CarbonylContact C-O 3.45Å
87	L	79.1	Confident	82.1	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.01	28%	0.277	C	S	.	.			trans	-100.4	-28.9	-176	-168.5	55.9	0	0	0	113.2	F80 L103 A105 R106 Y110 K540	F80-L87 HydrophobicContact CD1-CD2 3.7Å; F80-L87 HydrophobicContact CE1-CD2 3.68Å; L87-L103 HydrophobicContact CD2-CD2 3.63Å; L87-A105 HydrophobicContact CD1-CB 3.81Å; L87-A105 HydrophobicContact CG-CB 4.06Å; L87-A105 WeakPolarHBondContact O-CB 3Å; L87-R106 PolarHBondContact O-N 2.96Å; L87-R106 VanDerWaalsContact O-N 3.14Å; L87-Y110 HydrophobicContact CD1-CD2 4.38Å; L87-Y110 HydrophobicContact CD1-CE2 3.57Å; L87-K540 PolarHBondContact N-O 3.27Å
88	H	82.2	Confident	81.6	Confident	12 Å²	12	51.9 Å²	51.9	6%	0.056	29%	0.293	C	S	.	.			trans	53.9	61.9	-173.2	-73.3	-114.4	0	0	0	111.9	H90 R106 F150 K540	H88-H90 AromaticContact ND1-NE2 3.67Å; H88-H90 PolarHBondContact O-CD2 2.85Å; H88-H90 PolarHBondContact O-N 2.82Å; H88-R106 HydrophobicContact CB-CB 4.2Å; H88-F150 HydrophobicContact CB-CD1 3.95Å; H88-F150 HydrophobicContact CB-CE1 3.83Å; H88-F150 AromaticContact CG-CE1 3.71Å; H88-F150 AromaticContact ND1-CE1 3.51Å; H88-K540 PolarHBondContact N-O 2.8Å
89	S	78	Confident	81.4	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	29%	0.287	C	S	.	.			trans	-68.1	95.3	178.8	-57	0	0	0	0	110.3	S539 G542	S89-S539 WeakPolarHBondContact CB-O 3.24Å; S89-S539 PolarHBondContact N-O 3.21Å; S89-G542 WeakPolarHBondContact CB-O 3.28Å; S89-G542 PolarHBondContact OG-O 3.22Å
90	H	79.4	Confident	81.3	Confident	9 Å²	9	46.5 Å²	46.5	4%	0.042	28%	0.28	C	S	.	.			trans	-110	-12.8	-169.4	-83.7	-64.8	0	0	0	114.6	H88 G104 F150 R152	H88-H90 AromaticContact ND1-NE2 3.67Å; H88-H90 PolarHBondContact O-CD2 2.85Å; H88-H90 PolarHBondContact O-N 2.82Å; H90-G104 PolarHBondContact N-O 2.87Å; H90-G104 VanDerWaalsContact N-O 3.14Å; H90-F150 AromaticContact CD2-CD1 3.76Å; H90-F150 AromaticContact NE2-CD1 3.9Å; H90-R152 PolarHBondContact O-NH1 3.43Å; H90-R152 VanDerWaalsContact O-NH1 3.15Å
91	S	91.2	Very high	81.5	Confident	9 Å²	9	45.4 Å²	45.4	6%	0.063	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	141	175.5	51.5	0	0	0	0	110.6	G104 V151 R152	S91-G104 PolarHBondContact N-O 3.06Å; S91-G104 PolarHBondContact O-N 3.21Å; S91-G104 WeakPolarHBondContact OG-CA 3.47Å; S91-V151 PolarHBondContact OG-O 3.06Å; S91-R152 VanDerWaalsContact CB-O 3.29Å; S91-R152 WeakPolarHBondContact CB-O 3.36Å
92	L	94.8	Very high	82.1	Confident	19 Å²	19	42.1 Å²	42.1	10%	0.099	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	146.7	175.4	-68	174.5	0	0	0	108.5	L101 L102 L103 T525 E527 L543	L92-L101 HydrophobicContact CD2-CD1 4.38Å; L92-L102 WeakPolarHBondContact CA-O 3.41Å; L92-L103 HydrophobicContact CD2-CB 4.15Å; L92-L103 HydrophobicContact CD2-CD1 3.71Å; L92-L103 HydrophobicContact CD2-CG 4.45Å; L92-T525 WeakPolarHBondContact CD1-OG1 3.17Å; L92-E527 HydrophobicContact CB-CG 3.95Å; L92-E527 HydrophobicContact CD1-CB 4.03Å; L92-E527 HydrophobicContact CD1-CG 3.96Å; L92-L543 HydrophobicContact CD1-CD1 4.25Å; L92-L543 HydrophobicContact CD2-CD1 4.16Å; L92-L543 HydrophobicContact CD2-CD2 4.37Å
93	L	95.4	Very high	83.4	Confident	28 Å²	28	40.9 Å²	40.9	15%	0.147	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	102.2	169.1	170.7	61.2	0	0	0	108.2	L102 L154 V162	L93-L102 HydrophobicContact CB-CB 4.17Å; L93-L102 HydrophobicContact CD2-CD1 4.04Å; L93-L102 PolarHBondContact N-O 3.02Å; L93-L102 PolarHBondContact O-N 2.99Å; L93-L154 HydrophobicContact CB-CB 3.96Å; L93-L154 HydrophobicContact CB-CD1 4.5Å; L93-L154 HydrophobicContact CD2-CB 4.15Å; L93-V162 HydrophobicContact CD2-CG1 4.05Å; L93-V162 HydrophobicContact CD2-CG2 4.29Å
94	L	94.3	Very high	85	Confident	31 Å²	31	37.1 Å²	37.1	16%	0.162	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	116.3	177.6	176	66	0	0	0	109.8	E96 L101 P114 Y536	L94-E96 HydrophobicContact CD2-CG 3.95Å; L94-E96 HydrophobicContact CG-CG 4.01Å; L94-L101 HydrophobicContact CB-CD1 3.99Å; L94-L101 HydrophobicContact CD1-CB 4.48Å; L94-L101 HydrophobicContact CD1-CD1 4.22Å; L94-P114 HydrophobicContact CD1-CB 4.25Å; L94-Y536 HydrophobicContact CD1-CE2 4.22Å; L94-Y536 HydrophobicContact CD2-CD2 4.46Å; L94-Y536 HydrophobicContact CD2-CE2 4.16Å
95	D	90.4	Very high	86.7	Confident	13 Å²	13	31.9 Å²	31.9	7%	0.07	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	96.4	170.2	-169.1	-45.4	0	0	0	109.1	E97 R98 G99 S100 N156	D95-E97 VanDerWaalsContact C-N 3.3Å; D95-E97 PolarHBondContact O-N 2.79Å; D95-E97 PolarHBondContact OD1-N 2.84Å; D95-E97 VanDerWaalsContact OD1-N 3.1Å; D95-R98 HydrophobicContact CB-CB 4.29Å; D95-R98 VanDerWaalsContact CG-CD 3.47Å; D95-R98 WeakPolarHBondContact OD1-CB 3.45Å; D95-R98 WeakPolarHBondContact OD1-CG 3.49Å; D95-R98 PolarHBondContact OD1-N 3.36Å; D95-R98 IonicContact OD1-NE 2.62Å; D95-R98 WeakPolarHBondContact OD2-CD 3.45Å; D95-R98 IonicContact OD2-CZ 2.66Å; D95-R98 IonicContact OD2-NE 3.32Å; D95-R98 PolarHBondContact OD2-NE 2.79Å; D95-G99 PolarHBondContact O-N 3.42Å; D95-S100 PolarHBondContact N-O 2.8Å; D95-S100 PolarHBondContact O-N 2.82Å; D95-N156 PolarHBondContact OD2-ND2 3.49Å
96	E	88	Confident	88.2	Confident	58 Å²	58	28.3 Å²	28.3	27%	0.271	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-25.4	178.7	-67.2	-165.1	129.5	0	0	113.3	L94 S529 K531	L94-E96 HydrophobicContact CD2-CG 3.95Å; L94-E96 HydrophobicContact CG-CG 4.01Å; E96-S529 WeakPolarHBondContact OE1-CB 3.5Å; E96-S529 PolarHBondContact OE1-OG 2.99Å; E96-K531 VanDerWaalsContact OE2-CD 3.23Å; E96-K531 WeakPolarHBondContact OE2-CD 3.08Å; E96-K531 VanDerWaalsContact OE2-CE 3.24Å; E96-K531 WeakPolarHBondContact OE2-CE 3.23Å; E96-K531 IonicContact OE2-NZ 2.65Å; E96-K531 PolarHBondContact OE2-NZ 3.38Å
97	E	85.1	Confident	89.2	Confident	182 Å²	182	28.6 Å²	28.6	85%	0.85	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-38.6	-179.8	-60.1	-165.1	152.4	0	0	111.6	D95	D95-E97 VanDerWaalsContact C-N 3.3Å; D95-E97 PolarHBondContact O-N 2.79Å; D95-E97 PolarHBondContact OD1-N 2.84Å; D95-E97 VanDerWaalsContact OD1-N 3.1Å
98	R	82.6	Confident	89.9	Confident	109 Å²	109	29.8 Å²	29.8	41%	0.411	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-24.1	174.6	-66.2	171.8	-155	-71.9	-27.1	112.9	D95 S100 R159	D95-R98 HydrophobicContact CB-CB 4.29Å; D95-R98 VanDerWaalsContact CG-CD 3.47Å; D95-R98 WeakPolarHBondContact OD1-CB 3.45Å; D95-R98 WeakPolarHBondContact OD1-CG 3.49Å; D95-R98 PolarHBondContact OD1-N 3.36Å; D95-R98 IonicContact OD1-NE 2.62Å; D95-R98 WeakPolarHBondContact OD2-CD 3.45Å; D95-R98 IonicContact OD2-CZ 2.66Å; D95-R98 IonicContact OD2-NE 3.32Å; D95-R98 PolarHBondContact OD2-NE 2.79Å; R98-S100 WeakPolarHBondContact CB-OG 3.34Å; R98-R159 PolarHBondContact NH1-O 2.79Å; R98-R159 PolarHBondContact NH2-O 2.84Å
99	G	86.6	Confident	90.6	Very high	27 Å²	27	29.2 Å²	29.2	28%	0.278	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	48.7	-166.4	0	0	0	0	0	111.2	D95 P114	D95-G99 PolarHBondContact O-N 3.42Å; G99-P114 WeakPolarHBondContact O-CD 3.37Å
100	S	89.7	Confident	91.3	Very high	19 Å²	19	29.8 Å²	29.8	13%	0.133	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	139.3	178.7	55	0	0	0	0	111.7	D95 R98	D95-S100 PolarHBondContact N-O 2.8Å; D95-S100 PolarHBondContact O-N 2.82Å; R98-S100 WeakPolarHBondContact CB-OG 3.34Å
101	L	93.8	Very high	92	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	124.7	172.1	177.5	62.9	0	0	0	109.3	L92 L94 L112 P114 L117 Y536 L543	L92-L101 HydrophobicContact CD2-CD1 4.38Å; L94-L101 HydrophobicContact CB-CD1 3.99Å; L94-L101 HydrophobicContact CD1-CB 4.48Å; L94-L101 HydrophobicContact CD1-CD1 4.22Å; L101-L112 HydrophobicContact CB-CB 4.25Å; L101-L112 PolarHBondContact N-O 2.84Å; L101-L112 WeakPolarHBondContact O-CB 3.34Å; L101-L112 PolarHBondContact O-N 2.89Å; L101-P114 HydrophobicContact CB-CB 4.26Å; L101-L117 HydrophobicContact CD2-CD2 4.24Å; L101-Y536 HydrophobicContact CD2-CD1 3.68Å; L101-Y536 HydrophobicContact CD2-CE1 3.85Å; L101-Y536 HydrophobicContact CD2-CG 4.19Å; L101-L543 HydrophobicContact CD2-CD2 3.75Å
102	L	94.9	Very high	92.1	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.021	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	136.9	170.6	-73	163.1	0	0	0	110.1	L92 L93 I109 Y110 L111 L154 V162 I179 F188	L92-L102 WeakPolarHBondContact CA-O 3.41Å; L93-L102 HydrophobicContact CB-CB 4.17Å; L93-L102 HydrophobicContact CD2-CD1 4.04Å; L93-L102 PolarHBondContact N-O 3.02Å; L93-L102 PolarHBondContact O-N 2.99Å; L102-I109 HydrophobicContact CD2-CG2 4.26Å; L102-Y110 WeakPolarHBondContact CA-O 3.45Å; L102-L111 HydrophobicContact CD2-CB 4.05Å; L102-L111 HydrophobicContact CD2-CD1 3.99Å; L102-L111 HydrophobicContact CG-CD1 4.36Å; L102-L154 HydrophobicContact CB-CD1 4.24Å; L102-V162 HydrophobicContact CD1-CG1 4.31Å; L102-V162 HydrophobicContact CD1-CG2 3.8Å; L102-I179 HydrophobicContact CD1-CD1 3.65Å; L102-I179 HydrophobicContact CD2-CD1 4.06Å; L102-I179 HydrophobicContact CG-CD1 4.37Å; L102-F188 HydrophobicContact CD2-CE2 3.77Å; L102-F188 HydrophobicContact CD2-CZ 4.08Å
103	L	95.4	Very high	91.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	115.5	178.3	166	58.4	0	0	0	109.6	F80 L87 L92 I109 Y110 L112 L543	F80-L103 HydrophobicContact CD1-CD2 3.83Å; F80-L103 HydrophobicContact CE1-CD2 3.98Å; L87-L103 HydrophobicContact CD2-CD2 3.63Å; L92-L103 HydrophobicContact CD2-CB 4.15Å; L92-L103 HydrophobicContact CD2-CD1 3.71Å; L92-L103 HydrophobicContact CD2-CG 4.45Å; L103-I109 WeakPolarHBondContact O-CA 3.28Å; L103-Y110 PolarHBondContact N-O 2.81Å; L103-Y110 PolarHBondContact O-N 2.94Å; L103-L112 HydrophobicContact CB-CD1 3.82Å; L103-L112 HydrophobicContact CD2-CD1 3.91Å; L103-L543 HydrophobicContact CD2-CB 3.86Å; L103-L543 HydrophobicContact CD2-CD2 4.05Å
104	G	95.1	Very high	91.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	125.8	171	0	0	0	0	0	110.7	H90 S91	H90-G104 PolarHBondContact N-O 2.87Å; H90-G104 VanDerWaalsContact N-O 3.14Å; S91-G104 PolarHBondContact N-O 3.06Å; S91-G104 PolarHBondContact O-N 3.21Å; S91-G104 WeakPolarHBondContact OG-CA 3.47Å
105	A	92.8	Very high	91.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	-173.3	-168.8	0	0	0	0	0	111	L87 D107 H108 Y110 V151	L87-A105 HydrophobicContact CD1-CB 3.81Å; L87-A105 HydrophobicContact CG-CB 4.06Å; L87-A105 WeakPolarHBondContact O-CB 3Å; A105-D107 PolarHBondContact O-N 3.43Å; A105-H108 HydrophobicContact CB-CB 4.47Å; A105-H108 PolarHBondContact N-O 2.97Å; A105-H108 VanDerWaalsContact N-O 3.07Å; A105-Y110 HydrophobicContact CB-CD2 4.04Å; A105-Y110 HydrophobicContact CB-CE2 3.77Å; A105-V151 PolarHBondContact O-N 3.25Å; A105-V151 VanDerWaalsContact O-N 3.11Å
106	R	92.3	Very high	91.1	Very high	52 Å²	52	36.1 Å²	36.1	20%	0.196	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-70.1	119.9	169.6	-178.3	177.9	173.2	-169.1	2.7	111.8	L87 H88 H108 N144 A148 F150	L87-R106 PolarHBondContact O-N 2.96Å; L87-R106 VanDerWaalsContact O-N 3.14Å; H88-R106 HydrophobicContact CB-CB 4.2Å; R106-H108 PolarHBondContact O-N 3.4Å; R106-H108 PolarHBondContact O-ND1 3.47Å; R106-N144 PolarHBondContact NH1-O 2.72Å; R106-N144 VanDerWaalsContact NH1-O 3.11Å; R106-A148 HydrophobicContact CG-CB 3.89Å; R106-F150 HydrophobicContact CB-CD1 3.89Å; R106-F150 HydrophobicContact CB-CE1 3.74Å; R106-F150 HydrophobicContact CG-CD1 4.18Å; R106-F150 HydrophobicContact CG-CE1 3.75Å; R106-F150 HydrophobicContact CG-CZ 4.17Å
107	D	93.1	Very high	91	Very high	26 Å²	26	33.5 Å²	33.5	14%	0.139	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	17.1	177.6	-55.9	-58.4	0	0	0	114.7	A105 H125 W126 P127 A148 N149	A105-D107 PolarHBondContact O-N 3.43Å; D107-H125 PolarHBondContact O-ND1 3.4Å; D107-W126 CarbonylContact O-C 3.52Å; D107-W126 PolarHBondContact O-N 2.95Å; D107-P127 HydrophobicContact CB-CB 4.14Å; D107-P127 WeakPolarHBondContact OD1-CA 3.01Å; D107-A148 WeakPolarHBondContact OD2-CB 3.35Å; D107-N149 WeakPolarHBondContact CA-O 3.44Å; D107-N149 PolarHBondContact N-O 3.19Å; D107-N149 PolarHBondContact OD1-N 2.93Å
108	H	93.8	Very high	91	Very high	27 Å²	27	26.5 Å²	26.5	13%	0.125	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	153.3	-170.1	-68.8	91.2	0	0	0	113.1	A105 R106 Y110 I124 H125	A105-H108 HydrophobicContact CB-CB 4.47Å; A105-H108 PolarHBondContact N-O 2.97Å; A105-H108 VanDerWaalsContact N-O 3.07Å; R106-H108 PolarHBondContact O-N 3.4Å; R106-H108 PolarHBondContact O-ND1 3.47Å; H108-Y110 HydrophobicContact CB-CD2 4.16Å; H108-Y110 HydrophobicContact CB-CE2 3.42Å; H108-Y110 VanDerWaalsContact CB-CE2 3.42Å; H108-I124 VanDerWaalsContact CA-O 3.27Å; H108-I124 WeakPolarHBondContact CA-O 3.47Å; H108-H125 AromaticContact CD2-ND1 3.82Å; H108-H125 AromaticContact CE1-ND1 3.5Å; H108-H125 AromaticContact ND1-ND1 3.99Å; H108-H125 AromaticContact NE2-CG 3.94Å; H108-H125 AromaticContact NE2-ND1 3.41Å; H108-H125 PolarHBondContact NE2-ND1 3.01Å
109	I	95.4	Very high	91.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	128.8	165.9	-57.1	176.2	0	0	0	108.1	L102 L103 K123 I124 W126 V151 L154 A164 I177 F188	L102-I109 HydrophobicContact CD2-CG2 4.26Å; L103-I109 WeakPolarHBondContact O-CA 3.28Å; I109-K123 WeakPolarHBondContact O-CA 3.25Å; I109-I124 HydrophobicContact CB-CB 4.46Å; I109-I124 PolarHBondContact N-O 3.47Å; I109-I124 PolarHBondContact O-N 2.03Å; I109-W126 HydrophobicContact CD1-CE3 3.87Å; I109-W126 HydrophobicContact CD1-CZ3 4.12Å; I109-V151 HydrophobicContact CD1-CG1 3.93Å; I109-V151 HydrophobicContact CD1-CG2 4.02Å; I109-V151 HydrophobicContact CG1-CB 4.27Å; I109-V151 HydrophobicContact CG1-CG1 4.03Å; I109-V151 HydrophobicContact CG1-CG2 3.73Å; I109-L154 HydrophobicContact CD1-CD2 4.23Å; I109-L154 HydrophobicContact CG2-CD2 4.43Å; I109-A164 HydrophobicContact CD1-CB 4.04Å; I109-I177 HydrophobicContact CD1-CD1 3.45Å; I109-I177 VanDerWaalsContact CD1-CD1 3.45Å; I109-I177 HydrophobicContact CG2-CD1 4.32Å; I109-F188 HydrophobicContact CG2-CZ 4.29Å
110	Y	94	Very high	91.1	Very high	13 Å²	13	30.9 Å²	30.9	5%	0.051	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	133.3	-177.9	-62.4	-98.5	0	0	0	110.3	F80 L87 L102 L103 A105 H108 P121 K123	F80-Y110 HydrophobicContact CE1-CD1 4.02Å; F80-Y110 HydrophobicContact CE1-CE1 4.31Å; F80-Y110 HydrophobicContact CE1-CG 4.13Å; F80-Y110 AromaticContact CZ-CD1 3.67Å; F80-Y110 HydrophobicContact CZ-CD1 3.67Å; F80-Y110 AromaticContact CZ-CE1 3.89Å; F80-Y110 HydrophobicContact CZ-CE1 3.89Å; F80-Y110 HydrophobicContact CZ-CG 4.24Å; L87-Y110 HydrophobicContact CD1-CD2 4.38Å; L87-Y110 HydrophobicContact CD1-CE2 3.57Å; L102-Y110 WeakPolarHBondContact CA-O 3.45Å; L103-Y110 PolarHBondContact N-O 2.81Å; L103-Y110 PolarHBondContact O-N 2.94Å; A105-Y110 HydrophobicContact CB-CD2 4.04Å; A105-Y110 HydrophobicContact CB-CE2 3.77Å; H108-Y110 HydrophobicContact CB-CD2 4.16Å; H108-Y110 HydrophobicContact CB-CE2 3.42Å; H108-Y110 VanDerWaalsContact CB-CE2 3.42Å; Y110-P121 HydrophobicContact CD1-CB 4.04Å; Y110-P121 HydrophobicContact CD1-CG 3.99Å; Y110-P121 HydrophobicContact CE1-CG 4.46Å; Y110-K123 HydrophobicContact CD1-CB 3.81Å; Y110-K123 HydrophobicContact CE1-CB 3.96Å; Y110-K123 HydrophobicContact CE1-CD 4.01Å; Y110-K123 HydrophobicContact CG-CB 4.46Å
111	L	93.6	Very high	91.1	Very high	25 Å²	25	31.7 Å²	31.7	13%	0.131	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	112.6	166.8	173.7	63.6	0	0	0	107.8	L102 R122 F188	L102-L111 HydrophobicContact CD2-CB 4.05Å; L102-L111 HydrophobicContact CD2-CD1 3.99Å; L102-L111 HydrophobicContact CG-CD1 4.36Å; L111-R122 HydrophobicContact CB-CB 4.26Å; L111-R122 PolarHBondContact N-O 3.28Å; L111-R122 PolarHBondContact O-N 3.19Å; L111-F188 HydrophobicContact CB-CD1 4.08Å; L111-F188 HydrophobicContact CB-CD2 4.14Å; L111-F188 HydrophobicContact CB-CE1 3.74Å; L111-F188 HydrophobicContact CB-CE2 3.84Å; L111-F188 HydrophobicContact CB-CG 4.26Å; L111-F188 HydrophobicContact CB-CZ 3.63Å; L111-F188 HydrophobicContact CD2-CB 4.11Å; L111-F188 HydrophobicContact CD2-CD1 4.35Å; L111-F188 HydrophobicContact CD2-CD2 3.83Å; L111-F188 HydrophobicContact CD2-CE2 4.32Å; L111-F188 HydrophobicContact CD2-CG 3.84Å
112	L	92.3	Very high	91	Very high	7 Å²	7	35.4 Å²	35.4	4%	0.037	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	152.1	-172.5	-67.8	158.4	0	0	0	110.6	F80 L101 L103 P114 L117 P121 L543	F80-L112 HydrophobicContact CD1-CD1 4.21Å; F80-L112 HydrophobicContact CD1-CD2 4.14Å; F80-L112 HydrophobicContact CD2-CD2 3.87Å; F80-L112 HydrophobicContact CE1-CD1 4.43Å; F80-L112 HydrophobicContact CE1-CD2 4.13Å; F80-L112 HydrophobicContact CE2-CD2 3.88Å; F80-L112 HydrophobicContact CG-CD2 4.02Å; F80-L112 HydrophobicContact CZ-CD2 4.02Å; L101-L112 HydrophobicContact CB-CB 4.25Å; L101-L112 PolarHBondContact N-O 2.84Å; L101-L112 WeakPolarHBondContact O-CB 3.34Å; L101-L112 PolarHBondContact O-N 2.89Å; L103-L112 HydrophobicContact CB-CD1 3.82Å; L103-L112 HydrophobicContact CD2-CD1 3.91Å; L112-P114 WeakPolarHBondContact O-CD 3.43Å; L112-L117 HydrophobicContact CB-CD2 3.87Å; L112-L117 HydrophobicContact CD1-CD2 4.15Å; L112-L117 HydrophobicContact CD2-CD2 4.2Å; L112-L117 HydrophobicContact CG-CD2 4.31Å; L112-P121 HydrophobicContact CD2-CB 3.86Å; L112-L543 HydrophobicContact CD1-CD2 3.76Å
113	D	90	Very high	90.9	Very high	34 Å²	34	41.3 Å²	41.3	18%	0.182	21%	0.214	C	C	.	.			trans	-88	112.8	170.1	-173.7	-27.2	0	0	0	109.5	D115 N116 L117 K119	D113-D115 PolarHBondContact O-N 3.42Å; D113-D115 WeakPolarHBondContact OD1-CB 3.39Å; D113-D115 PolarHBondContact OD1-N 2.86Å; D113-N116 CarbonylContact O-C 3.6Å; D113-N116 PolarHBondContact O-N 2.85Å; D113-N116 VanDerWaalsContact O-N 3.08Å; D113-L117 PolarHBondContact O-N 2.97Å; D113-K119 HydrophobicContact CB-CD 4.01Å; D113-K119 WeakPolarHBondContact OD2-CD 3.44Å; D113-K119 WeakPolarHBondContact OD2-CE 3.38Å; D113-K119 IonicContact OD2-NZ 2.68Å; D113-K119 PolarHBondContact OD2-NZ 2.87Å
114	P	90.6	Very high	90.9	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-11.5	179.9	27.6	-32.9	0	0	0	113.9	L94 G99 L101 L112 K532 Y536 Q545	L94-P114 HydrophobicContact CD1-CB 4.25Å; G99-P114 WeakPolarHBondContact O-CD 3.37Å; L101-P114 HydrophobicContact CB-CB 4.26Å; L112-P114 WeakPolarHBondContact O-CD 3.43Å; P114-K532 HydrophobicContact CB-CD 4.14Å; P114-K532 HydrophobicContact CG-CD 4.48Å; P114-Y536 WeakPolarHBondContact CB-OH 3.33Å; P114-Y536 PolarHBondContact O-OH 3.42Å; P114-Y536 VanDerWaalsContact O-OH 3.07Å; P114-Q545 PolarHBondContact O-NE2 3.29Å
115	D	88.8	Confident	90.9	Very high	106 Å²	106	47.5 Å²	47.5	57%	0.567	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	-16.6	170.4	-63.7	-53.1	0	0	0	112.6	D113 K532	D113-D115 PolarHBondContact O-N 3.42Å; D113-D115 WeakPolarHBondContact OD1-CB 3.39Å; D113-D115 PolarHBondContact OD1-N 2.86Å; D115-K532 IonicContact OD1-NZ 3.22Å; D115-K532 PolarHBondContact OD1-NZ 3.41Å; D115-K532 IonicContact OD2-NZ 3.95Å; D115-K532 PolarHBondContact OD2-NZ 3.49Å
116	N	85.9	Confident	91	Very high	70 Å²	70	49 Å²	49	37%	0.374	25%	0.248	S	C	.	.			trans	-161	93	175.5	-174.3	-8.7	0	0	0	112.2	D113 G118 K119	D113-N116 CarbonylContact O-C 3.6Å; D113-N116 PolarHBondContact O-N 2.85Å; D113-N116 VanDerWaalsContact O-N 3.08Å; N116-G118 PolarHBondContact O-N 2.92Å; N116-G118 WeakPolarHBondContact OD1-CA 3.48Å; N116-G118 PolarHBondContact OD1-N 3.1Å; N116-K119 HydrophobicContact CB-CG 4.25Å; N116-K119 PolarHBondContact O-N 2.82Å; N116-K119 VanDerWaalsContact O-N 3.16Å
117	L	86.4	Confident	91.1	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.016	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-9.4	174.2	-69	-168.8	0	0	0	114.5	Y78 F80 L101 L112 D113 L543 Q545	Y78-L117 HydrophobicContact CD1-CB 3.54Å; Y78-L117 HydrophobicContact CE1-CB 4.02Å; Y78-L117 HydrophobicContact CG-CB 4.35Å; F80-L117 HydrophobicContact CB-CB 4.46Å; F80-L117 HydrophobicContact CB-CD1 4.23Å; L101-L117 HydrophobicContact CD2-CD2 4.24Å; L112-L117 HydrophobicContact CB-CD2 3.87Å; L112-L117 HydrophobicContact CD1-CD2 4.15Å; L112-L117 HydrophobicContact CD2-CD2 4.2Å; L112-L117 HydrophobicContact CG-CD2 4.31Å; D113-L117 PolarHBondContact O-N 2.97Å; L117-L543 HydrophobicContact CD1-CD2 3.9Å; L117-L543 HydrophobicContact CD1-CG 4.07Å; L117-L543 HydrophobicContact CD2-CD2 4.26Å; L117-Q545 HydrophobicContact CD1-CB 3.52Å; L117-Q545 HydrophobicContact CG-CB 4.13Å
118	G	83.3	Confident	91.2	Very high	35 Å²	35	48.8 Å²	48.8	36%	0.361	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-3.1	176.1	0	0	0	0	0	115.4	Y78 N116	Y78-G118 WeakPolarHBondContact OH-CA 3.42Å; N116-G118 PolarHBondContact O-N 2.92Å; N116-G118 WeakPolarHBondContact OD1-CA 3.48Å; N116-G118 PolarHBondContact OD1-N 3.1Å
119	K	86.6	Confident	91.2	Very high	92 Å²	92	53.7 Å²	53.7	40%	0.4	28%	0.283	S	S	.	.	S	Bend	trans	-71	145.1	167.1	-68.2	-177.3	-177.9	178	0	110	D113 N116 P121	D113-K119 HydrophobicContact CB-CD 4.01Å; D113-K119 WeakPolarHBondContact OD2-CD 3.44Å; D113-K119 WeakPolarHBondContact OD2-CE 3.38Å; D113-K119 IonicContact OD2-NZ 2.68Å; D113-K119 PolarHBondContact OD2-NZ 2.87Å; N116-K119 HydrophobicContact CB-CG 4.25Å; N116-K119 PolarHBondContact O-N 2.82Å; N116-K119 VanDerWaalsContact O-N 3.16Å; K119-P121 WeakPolarHBondContact O-CD 3.34Å; K119-P121 VanDerWaalsContact O-N 3.11Å
120	T	86.8	Confident	91.2	Very high	135 Å²	135	63.4 Å²	63.4	83%	0.828	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-55.8	116.8	175.2	-53.1	0	0	0	0	110
121	P	89.6	Confident	91.2	Very high	36 Å²	36	68.4 Å²	68.4	23%	0.234	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-71.5	148.6	-176.8	31.4	-38.7	0	0	0	110.9	F80 Y110 L112 K119	F80-P121 HydrophobicContact CE2-CB 4.29Å; F80-P121 HydrophobicContact CE2-CG 3.73Å; F80-P121 HydrophobicContact CZ-CB 4.26Å; F80-P121 HydrophobicContact CZ-CG 3.81Å; Y110-P121 HydrophobicContact CD1-CB 4.04Å; Y110-P121 HydrophobicContact CD1-CG 3.99Å; Y110-P121 HydrophobicContact CE1-CG 4.46Å; L112-P121 HydrophobicContact CD2-CB 3.86Å; K119-P121 WeakPolarHBondContact O-CD 3.34Å; K119-P121 VanDerWaalsContact O-N 3.11Å
122	R	91.3	Very high	91.3	Very high	79 Å²	79	71.8 Å²	71.8	30%	0.298	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	133.8	161.9	-61.7	178	64	162.9	5.6	107.2	L111 R183 E184 G186 F188	L111-R122 HydrophobicContact CB-CB 4.26Å; L111-R122 PolarHBondContact N-O 3.28Å; L111-R122 PolarHBondContact O-N 3.19Å; R122-R183 PolarHBondContact NH1-O 2.76Å; R122-E184 PolarHBondContact NH1-O 2.91Å; R122-E184 VanDerWaalsContact NH1-O 3.07Å; R122-G186 PolarHBondContact NH1-O 2.83Å; R122-G186 PolarHBondContact NH2-O 2.69Å; R122-F188 HydrophobicContact CB-CD1 3.81Å; R122-F188 HydrophobicContact CB-CE1 4.31Å
123	K	92.6	Very high	91.4	Very high	127 Å²	127	73.6 Å²	73.6	55%	0.552	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132	137.5	-178	67.8	174	-169.1	161	0	112.7	I109 Y110	I109-K123 WeakPolarHBondContact O-CA 3.25Å; Y110-K123 HydrophobicContact CD1-CB 3.81Å; Y110-K123 HydrophobicContact CE1-CB 3.96Å; Y110-K123 HydrophobicContact CE1-CD 4.01Å; Y110-K123 HydrophobicContact CG-CB 4.46Å
124	I	95.1	Very high	91.7	Very high	15 Å²	15	76.6 Å²	76.6	8%	0.077	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	133.8	163.1	-72	164.3	0	0	0	106.7	H108 I109 W126 I177 F188 L190	H108-I124 VanDerWaalsContact CA-O 3.27Å; H108-I124 WeakPolarHBondContact CA-O 3.47Å; I109-I124 HydrophobicContact CB-CB 4.46Å; I109-I124 PolarHBondContact N-O 3.47Å; I109-I124 PolarHBondContact O-N 2.03Å; I124-W126 HydrophobicContact CG2-CB 4.23Å; I124-I177 HydrophobicContact CD1-CD1 4.38Å; I124-I177 HydrophobicContact CD1-CG1 4.3Å; I124-I177 HydrophobicContact CD1-CG2 3.61Å; I124-F188 HydrophobicContact CB-CE1 4.39Å; I124-F188 HydrophobicContact CD1-CD1 4.18Å; I124-F188 HydrophobicContact CD1-CD2 4.15Å; I124-F188 HydrophobicContact CD1-CE1 3.84Å; I124-F188 HydrophobicContact CD1-CE2 3.78Å; I124-F188 HydrophobicContact CD1-CG 4.34Å; I124-F188 HydrophobicContact CD1-CZ 3.62Å; I124-F188 HydrophobicContact CG1-CD1 4.03Å; I124-F188 HydrophobicContact CG1-CE1 3.68Å; I124-F188 HydrophobicContact CG1-CZ 3.96Å; I124-L190 HydrophobicContact CD1-CB 4.4Å; I124-L190 HydrophobicContact CG2-CB 4.01Å
125	H	95.1	Very high	91.9	Very high	116 Å²	116	80.6 Å²	80.6	54%	0.537	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	122.2	167.4	-178.1	43.2	0	0	0	108.2	D107 H108	D107-H125 PolarHBondContact O-ND1 3.4Å; H108-H125 AromaticContact CD2-ND1 3.82Å; H108-H125 AromaticContact CE1-ND1 3.5Å; H108-H125 AromaticContact ND1-ND1 3.99Å; H108-H125 AromaticContact NE2-CG 3.94Å; H108-H125 AromaticContact NE2-ND1 3.41Å; H108-H125 PolarHBondContact NE2-ND1 3.01Å
126	W	95.1	Very high	92.2	Very high	30 Å²	30	75.7 Å²	75.7	11%	0.114	38%	0.381	C	S	.	.			trans	-139.2	71.1	-175.5	-174	27	0	0	0	109.7	D107 I109 I124 N149 V151 A164 A175 L190	D107-W126 CarbonylContact O-C 3.52Å; D107-W126 PolarHBondContact O-N 2.95Å; I109-W126 HydrophobicContact CD1-CE3 3.87Å; I109-W126 HydrophobicContact CD1-CZ3 4.12Å; I124-W126 HydrophobicContact CG2-CB 4.23Å; W126-N149 WeakPolarHBondContact O-CB 3.34Å; W126-N149 PolarHBondContact O-ND2 3.34Å; W126-V151 HydrophobicContact CE3-CG2 4.05Å; W126-V151 HydrophobicContact CZ3-CG2 4.3Å; W126-A164 HydrophobicContact CZ3-CB 4.11Å; W126-A175 HydrophobicContact CH2-CB 4.5Å; W126-A175 HydrophobicContact CZ2-CB 4.23Å; W126-L190 HydrophobicContact CB-CD2 4.26Å; W126-L190 HydrophobicContact CD2-CD1 4.35Å; W126-L190 HydrophobicContact CD2-CD2 3.96Å; W126-L190 HydrophobicContact CE3-CD1 4.44Å; W126-L190 HydrophobicContact CG-CD2 3.69Å
127	P	94.7	Very high	92.6	Very high	59 Å²	59	77.6 Å²	77.6	38%	0.383	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-75.6	164.7	179.8	33.7	-36.3	0	0	0	112.1	D107	D107-P127 HydrophobicContact CB-CB 4.14Å; D107-P127 WeakPolarHBondContact OD1-CA 3.01Å
128	A	94.4	Very high	93	Very high	15 Å²	15	82.9 Å²	82.9	12%	0.124	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-67.7	152.9	166.3	0	0	0	0	0	111.7	V133 N149 A169	A128-V133 HydrophobicContact CB-CG2 3.78Å; A128-N149 HydrophobicContact CB-CB 4.26Å; A128-A169 HydrophobicContact CB-CB 3.63Å
129	L	93.8	Very high	93.4	Very high	131 Å²	131	84 Å²	84	69%	0.686	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-65.2	142	172.6	-66.1	174.2	0	0	0	110.3	D131 R132 V133	L129-D131 VanDerWaalsContact C-N 3.32Å; L129-D131 PolarHBondContact O-N 2.86Å; L129-R132 HydrophobicContact CB-CG 4.26Å; L129-R132 WeakPolarHBondContact O-CA 3.45Å; L129-R132 WeakPolarHBondContact O-CB 3.36Å; L129-R132 PolarHBondContact O-N 2.79Å; L129-V133 PolarHBondContact O-N 2.87Å
130	R	94.6	Very high	93.6	Very high	204 Å²	204	82.9 Å²	82.9	77%	0.77	43%	0.432	S	S	*	.	H	α-helix	trans	-54.3	-47.6	-175.9	-70.3	-174.7	176	-175.8	-1.8	112.4	R132 V133 E134	R130-R132 PolarHBondContact O-N 2.65Å; R130-R132 VanDerWaalsContact O-N 3.14Å; R130-V133 WeakPolarHBondContact O-CA 3.42Å; R130-V133 WeakPolarHBondContact O-CB 3.31Å; R130-V133 PolarHBondContact O-N 3.48Å; R130-E134 WeakPolarHBondContact O-CG 3.46Å; R130-E134 PolarHBondContact O-N 3.05Å
131	D	95.8	Very high	93.9	Very high	118 Å²	118	78.8 Å²	78.8	63%	0.631	40%	0.402	S	S	*	.	H	α-helix	trans	-56.3	-32.3	178.2	-44.5	16.4	0	0	0	112	L129 T135	L129-D131 VanDerWaalsContact C-N 3.32Å; L129-D131 PolarHBondContact O-N 2.86Å; D131-T135 WeakPolarHBondContact O-CB 3.34Å; D131-T135 PolarHBondContact O-N 3.37Å; D131-T135 PolarHBondContact O-OG1 2.94Å
132	R	94.6	Very high	93.7	Very high	96 Å²	96	79 Å²	79	36%	0.362	41%	0.405	S	S	.	.	H	α-helix	trans	-77.9	-39.9	175	-64.3	-57.6	-168.5	-141.1	0.3	112.3	L129 R130 E134 T135 C136 H171	L129-R132 HydrophobicContact CB-CG 4.26Å; L129-R132 WeakPolarHBondContact O-CA 3.45Å; L129-R132 WeakPolarHBondContact O-CB 3.36Å; L129-R132 PolarHBondContact O-N 2.79Å; R130-R132 PolarHBondContact O-N 2.65Å; R130-R132 VanDerWaalsContact O-N 3.14Å; R132-E134 VanDerWaalsContact C-N 3.3Å; R132-E134 PolarHBondContact O-N 2.98Å; R132-T135 PolarHBondContact O-N 2.92Å; R132-C136 WeakPolarHBondContact O-CB 3.48Å; R132-C136 PolarHBondContact O-N 3.43Å; R132-H171 HydrophobicContact CG-CB 4.09Å; R132-H171 PolarHBondContact NE-CD2 3.12Å; R132-H171 PolarHBondContact NE-ND1 3.16Å; R132-H171 PolarHBondContact NE-NE2 3.4Å; R132-H171 PolarHBondContact NH2-CE1 2.69Å; R132-H171 PolarHBondContact NH2-NE2 2.88Å
133	V	95.1	Very high	93.1	Very high	44 Å²	44	78.3 Å²	78.3	27%	0.267	41%	0.41	S	S	.	.	H	α-helix	trans	-61.3	-41.6	173.1	177.5	0	0	0	0	110.8	A128 L129 R130 C136 R137 C147 A169	A128-V133 HydrophobicContact CB-CG2 3.78Å; L129-V133 PolarHBondContact O-N 2.87Å; R130-V133 WeakPolarHBondContact O-CA 3.42Å; R130-V133 WeakPolarHBondContact O-CB 3.31Å; R130-V133 PolarHBondContact O-N 3.48Å; V133-C136 PolarHBondContact O-N 3.3Å; V133-R137 WeakPolarHBondContact O-CB 3.33Å; V133-R137 PolarHBondContact O-N 3.04Å; V133-C147 HydrophobicContact CG1-CB 4.23Å; V133-A169 HydrophobicContact CG2-CB 4.06Å
134	E	95	Very high	92.3	Very high	98 Å²	98	77 Å²	77	46%	0.458	41%	0.409	S	S	.	.	H	α-helix	trans	-66.2	-49.9	175.1	-68.2	179.4	-176.4	0	0	111.2	R130 R132 C136 R137 D138	R130-E134 WeakPolarHBondContact O-CG 3.46Å; R130-E134 PolarHBondContact O-N 3.05Å; R132-E134 VanDerWaalsContact C-N 3.3Å; R132-E134 PolarHBondContact O-N 2.98Å; E134-C136 VanDerWaalsContact C-N 3.26Å; E134-C136 PolarHBondContact O-N 3.34Å; E134-R137 PolarHBondContact O-N 3.17Å; E134-D138 WeakPolarHBondContact O-CB 3.47Å; E134-D138 PolarHBondContact O-N 3.14Å
135	T	95.1	Very high	91.6	Very high	83 Å²	83	80.8 Å²	80.8	51%	0.509	43%	0.428	S	S	.	.	H	α-helix	trans	-55.7	-40.3	174.2	-56.3	0	0	0	0	112.3	D131 R132 D138 A139	D131-T135 WeakPolarHBondContact O-CB 3.34Å; D131-T135 PolarHBondContact O-N 3.37Å; D131-T135 PolarHBondContact O-OG1 2.94Å; R132-T135 PolarHBondContact O-N 2.92Å; T135-D138 PolarHBondContact O-N 2.88Å; T135-A139 WeakPolarHBondContact O-CB 3.48Å; T135-A139 PolarHBondContact O-N 3.16Å
136	C	94.8	Very high	91.3	Very high	4 Å²	4	76.8 Å²	76.8	3%	0.027	41%	0.41	C	S	.	.	H	α-helix	trans	-66.6	-45.5	178.8	174.1	0	0	0	0	112.2	R132 V133 E134 D138 A139 K141 C147 A169	R132-C136 WeakPolarHBondContact O-CB 3.48Å; R132-C136 PolarHBondContact O-N 3.43Å; V133-C136 PolarHBondContact O-N 3.3Å; E134-C136 VanDerWaalsContact C-N 3.26Å; E134-C136 PolarHBondContact O-N 3.34Å; C136-D138 VanDerWaalsContact C-N 3.33Å; C136-D138 PolarHBondContact O-N 3.13Å; C136-A139 PolarHBondContact O-N 3.4Å; C136-K141 WeakPolarHBondContact O-CB 3.46Å; C136-K141 PolarHBondContact O-N 3.06Å; C136-C147 HydrophobicContact CB-CB 3.72Å; C136-C147 WeakPolarHBondContact CB-SG 3.44Å; C136-C147 WeakPolarHBondContact SG-CA 3.12Å; C136-C147 WeakPolarHBondContact SG-CB 3.44Å; C136-C147 CovalentContact SG-SG 2.04Å; C136-C147 PolarHBondContact SG-SG 3.34Å; C136-A169 HydrophobicContact CB-CB 4.21Å
137	R	94.7	Very high	91.2	Very high	110 Å²	110	75.6 Å²	75.6	42%	0.415	41%	0.406	S	S	.	.	H	α-helix	trans	-60.5	-43.7	174	177.5	-161.4	66.1	-142.5	-10.7	111.1	V133 E134 A139 G140 T143 C147	V133-R137 WeakPolarHBondContact O-CB 3.33Å; V133-R137 PolarHBondContact O-N 3.04Å; E134-R137 PolarHBondContact O-N 3.17Å; R137-A139 VanDerWaalsContact C-N 3.26Å; R137-A139 PolarHBondContact O-N 3.25Å; R137-G140 WeakPolarHBondContact O-CA 3.46Å; R137-G140 PolarHBondContact O-N 2.89Å; R137-T143 HydrophobicContact CB-CG2 4.23Å; R137-T143 HydrophobicContact CG-CG2 3.89Å; R137-C147 PolarHBondContact N-SG 2.97Å; R137-C147 VanDerWaalsContact N-SG 3.42Å
138	D	94.3	Very high	91.2	Very high	114 Å²	114	72.9 Å²	72.9	61%	0.61	39%	0.388	S	S	*	.	H	α-helix	trans	-74	-21	-176.5	-60.7	-9.3	0	0	0	111.6	E134 T135 C136 G140	E134-D138 WeakPolarHBondContact O-CB 3.47Å; E134-D138 PolarHBondContact O-N 3.14Å; T135-D138 PolarHBondContact O-N 2.88Å; C136-D138 VanDerWaalsContact C-N 3.33Å; C136-D138 PolarHBondContact O-N 3.13Å; D138-G140 PolarHBondContact O-N 3.23Å
139	A	92.1	Very high	91.2	Very high	58 Å²	58	72.2 Å²	72.2	48%	0.479	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	8.5	163.8	0	0	0	0	0	114.1	T135 C136 R137 F227	T135-A139 WeakPolarHBondContact O-CB 3.48Å; T135-A139 PolarHBondContact O-N 3.16Å; C136-A139 PolarHBondContact O-N 3.4Å; R137-A139 VanDerWaalsContact C-N 3.26Å; R137-A139 PolarHBondContact O-N 3.25Å; A139-F227 HydrophobicContact CB-CZ 4.1Å
140	G	92.4	Very high	91.2	Very high	68 Å²	68	66 Å²	66	70%	0.701	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.7	10.7	173.7	0	0	0	0	0	115.9	R137 D138	R137-G140 WeakPolarHBondContact O-CA 3.46Å; R137-G140 PolarHBondContact O-N 2.89Å; D138-G140 PolarHBondContact O-N 3.23Å
141	K	91.5	Very high	91.3	Very high	49 Å²	49	56.2 Å²	56.2	21%	0.213	31%	0.313	C	S	.	.			trans	-88.1	154.8	180	-63.1	-62	-137.5	148.5	0	112.5	C136 T143 E146 F170 D205 F227	C136-K141 WeakPolarHBondContact O-CB 3.46Å; C136-K141 PolarHBondContact O-N 3.06Å; K141-T143 PolarHBondContact O-N 3.11Å; K141-E146 HydrophobicContact CB-CB 4.12Å; K141-E146 WeakPolarHBondContact CD-OE1 3.48Å; K141-E146 WeakPolarHBondContact CE-OE1 3.44Å; K141-E146 IonicContact NZ-OE1 3.52Å; K141-E146 PolarHBondContact NZ-OE1 3.11Å; K141-F170 HydrophobicContact CD-CZ 4.25Å; K141-F170 HydrophobicContact CG-CE2 4.42Å; K141-F170 HydrophobicContact CG-CZ 4.42Å; K141-D205 IonicContact NZ-OD2 2.65Å; K141-D205 PolarHBondContact NZ-OD2 3.19Å; K141-D205 VanDerWaalsContact NZ-OD2 3.07Å; K141-F227 HydrophobicContact CG-CZ 4.46Å
142	S	85.7	Confident	91.3	Very high	41 Å²	41	52.1 Å²	52.1	29%	0.287	29%	0.289	S	S	.	.			trans	-70.5	122.4	-175.1	-179.6	0	0	0	0	113.3	N144 L145 E146 C147	S142-N144 PolarHBondContact O-N 2.87Å; S142-N144 VanDerWaalsContact O-N 3.13Å; S142-L145 PolarHBondContact O-N 2.91Å; S142-L145 PolarHBondContact OG-N 3.15Å; S142-E146 VanDerWaalsContact CB-OE2 3.22Å; S142-E146 WeakPolarHBondContact CB-OE2 3.35Å; S142-E146 PolarHBondContact N-OE2 2.8Å; S142-E146 WeakPolarHBondContact O-CA 3.48Å; S142-E146 WeakPolarHBondContact O-CB 3.43Å; S142-E146 PolarHBondContact O-N 2.87Å; S142-C147 PolarHBondContact O-N 2.97Å
143	T	79.1	Confident	91.4	Very high	65 Å²	65	47.5 Å²	47.5	40%	0.399	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-27.6	176.3	55.6	0	0	0	0	113.8	R137 K141	R137-T143 HydrophobicContact CB-CG2 4.23Å; R137-T143 HydrophobicContact CG-CG2 3.89Å; K141-T143 PolarHBondContact O-N 3.11Å
144	N	74.6	Confident	91.4	Very high	100 Å²	100	45.9 Å²	45.9	54%	0.535	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-22	-170.9	-63.5	12	0	0	0	112.8	R106 S142	R106-N144 PolarHBondContact NH1-O 2.72Å; R106-N144 VanDerWaalsContact NH1-O 3.11Å; S142-N144 PolarHBondContact O-N 2.87Å; S142-N144 VanDerWaalsContact O-N 3.13Å
145	L	81	Confident	91.5	Very high	93 Å²	93	42.9 Å²	42.9	49%	0.487	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	-17.2	-173.7	-59.1	176.9	0	0	0	114.1	S142 F150	S142-L145 PolarHBondContact O-N 2.91Å; S142-L145 PolarHBondContact OG-N 3.15Å; L145-F150 WeakPolarHBondContact O-CE2 3.28Å; L145-F150 VanDerWaalsContact O-CZ 3.31Å; L145-F150 WeakPolarHBondContact O-CZ 3.45Å
146	E	88.7	Confident	91.4	Very high	33 Å²	33	41.9 Å²	41.9	15%	0.154	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.4	-45.7	-167	-71.4	177.9	111.8	0	0	112.8	K141 S142 A148 F170	K141-E146 HydrophobicContact CB-CB 4.12Å; K141-E146 WeakPolarHBondContact CD-OE1 3.48Å; K141-E146 WeakPolarHBondContact CE-OE1 3.44Å; K141-E146 IonicContact NZ-OE1 3.52Å; K141-E146 PolarHBondContact NZ-OE1 3.11Å; S142-E146 VanDerWaalsContact CB-OE2 3.22Å; S142-E146 WeakPolarHBondContact CB-OE2 3.35Å; S142-E146 PolarHBondContact N-OE2 2.8Å; S142-E146 WeakPolarHBondContact O-CA 3.48Å; S142-E146 WeakPolarHBondContact O-CB 3.43Å; S142-E146 PolarHBondContact O-N 2.87Å; E146-A148 PolarHBondContact O-N 2.7Å; E146-F170 HydrophobicContact CB-CE2 3.83Å; E146-F170 HydrophobicContact CG-CE2 4.39Å
147	C	93.9	Very high	91.4	Very high	4 Å²	4	43.7 Å²	43.7	3%	0.027	25%	0.246	C	C	.	.	S	Bend	trans	-85.1	55.1	-176.2	-56	0	0	0	0	113.7	V133 C136 R137 S142 A169	V133-C147 HydrophobicContact CG1-CB 4.23Å; C136-C147 HydrophobicContact CB-CB 3.72Å; C136-C147 WeakPolarHBondContact CB-SG 3.44Å; C136-C147 WeakPolarHBondContact SG-CA 3.12Å; C136-C147 WeakPolarHBondContact SG-CB 3.44Å; C136-C147 CovalentContact SG-SG 2.04Å; C136-C147 PolarHBondContact SG-SG 3.34Å; R137-C147 PolarHBondContact N-SG 2.97Å; R137-C147 VanDerWaalsContact N-SG 3.42Å; S142-C147 PolarHBondContact O-N 2.97Å; C147-A169 HydrophobicContact CB-CB 4.32Å
148	A	93.5	Very high	91.2	Very high	2 Å²	2	41.5 Å²	41.5	2%	0.017	24%	0.242	C	C	.	.	S	Bend	trans	-137.8	170.4	172.6	0	0	0	0	0	110.2	R106 D107 E146 F150 T167 A169	R106-A148 HydrophobicContact CG-CB 3.89Å; D107-A148 WeakPolarHBondContact OD2-CB 3.35Å; E146-A148 PolarHBondContact O-N 2.7Å; A148-F150 HydrophobicContact CB-CD2 4.22Å; A148-F150 HydrophobicContact CB-CE2 3.71Å; A148-F150 HydrophobicContact CB-CZ 4.03Å; A148-F150 PolarHBondContact O-N 3.47Å; A148-T167 PolarHBondContact O-OG1 3.03Å; A148-A169 WeakPolarHBondContact O-CA 3.43Å; A148-A169 PolarHBondContact O-N 2.91Å
149	N	94.8	Very high	90.9	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	25%	0.252	C	S	.	.			trans	-88.6	93.9	171.8	-173	31.8	0	0	0	110.3	D107 W126 A128 G166 T167 G168	D107-N149 WeakPolarHBondContact CA-O 3.44Å; D107-N149 PolarHBondContact N-O 3.19Å; D107-N149 PolarHBondContact OD1-N 2.93Å; W126-N149 WeakPolarHBondContact O-CB 3.34Å; W126-N149 PolarHBondContact O-ND2 3.34Å; A128-N149 HydrophobicContact CB-CB 4.26Å; N149-G166 WeakPolarHBondContact OD1-CA 3.44Å; N149-T167 PolarHBondContact OD1-N 3.39Å; N149-G168 WeakPolarHBondContact OD1-CA 3.4Å; N149-G168 PolarHBondContact OD1-N 3.43Å
150	F	94.6	Very high	90.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-85.7	121.3	173.7	-62.3	-88.5	0	0	0	109	H88 H90 R106 L145 A148 R152 G166 T167 P206	H88-F150 HydrophobicContact CB-CD1 3.95Å; H88-F150 HydrophobicContact CB-CE1 3.83Å; H88-F150 AromaticContact CG-CE1 3.71Å; H88-F150 AromaticContact ND1-CE1 3.51Å; H90-F150 AromaticContact CD2-CD1 3.76Å; H90-F150 AromaticContact NE2-CD1 3.9Å; R106-F150 HydrophobicContact CB-CD1 3.89Å; R106-F150 HydrophobicContact CB-CE1 3.74Å; R106-F150 HydrophobicContact CG-CD1 4.18Å; R106-F150 HydrophobicContact CG-CE1 3.75Å; R106-F150 HydrophobicContact CG-CZ 4.17Å; L145-F150 WeakPolarHBondContact O-CE2 3.28Å; L145-F150 VanDerWaalsContact O-CZ 3.31Å; L145-F150 WeakPolarHBondContact O-CZ 3.45Å; A148-F150 HydrophobicContact CB-CD2 4.22Å; A148-F150 HydrophobicContact CB-CE2 3.71Å; A148-F150 HydrophobicContact CB-CZ 4.03Å; A148-F150 PolarHBondContact O-N 3.47Å; F150-R152 PolarHBondContact O-N 3.33Å; F150-G166 CarbonylContact O-C 3.3Å; F150-G166 WeakPolarHBondContact O-CA 3.16Å; F150-T167 HydrophobicContact CB-CG2 4.2Å; F150-T167 PolarHBondContact N-OG1 3.3Å; F150-T167 PolarHBondContact O-N 2.66Å; F150-P206 HydrophobicContact CB-CB 3.81Å; F150-P206 HydrophobicContact CD1-CB 4.33Å; F150-P206 HydrophobicContact CD2-CB 3.44Å; F150-P206 VanDerWaalsContact CD2-CB 3.44Å; F150-P206 HydrophobicContact CD2-CG 3.69Å; F150-P206 HydrophobicContact CE2-CB 4.03Å; F150-P206 HydrophobicContact CE2-CG 3.81Å; F150-P206 HydrophobicContact CG-CB 3.6Å; F150-P206 HydrophobicContact CG-CG 4.31Å
151	V	96.1	Very high	90.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	118.9	-179.3	179.2	0	0	0	0	109.9	S91 A105 I109 W126 L154	S91-V151 PolarHBondContact OG-O 3.06Å; A105-V151 PolarHBondContact O-N 3.25Å; A105-V151 VanDerWaalsContact O-N 3.11Å; I109-V151 HydrophobicContact CD1-CG1 3.93Å; I109-V151 HydrophobicContact CD1-CG2 4.02Å; I109-V151 HydrophobicContact CG1-CB 4.27Å; I109-V151 HydrophobicContact CG1-CG1 4.03Å; I109-V151 HydrophobicContact CG1-CG2 3.73Å; W126-V151 HydrophobicContact CE3-CG2 4.05Å; W126-V151 HydrophobicContact CZ3-CG2 4.3Å; V151-L154 HydrophobicContact CG1-CD2 4.05Å; V151-L154 HydrophobicContact CG1-CG 4.16Å
152	R	95.4	Very high	91	Very high	31 Å²	31	43.1 Å²	43.1	12%	0.117	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	-35	-174	-60.3	-67.9	-86.5	142.1	-7.3	112.3	H90 S91 F150 C165 T167 P203 P206 Q208 F210	H90-R152 PolarHBondContact O-NH1 3.43Å; H90-R152 VanDerWaalsContact O-NH1 3.15Å; S91-R152 VanDerWaalsContact CB-O 3.29Å; S91-R152 WeakPolarHBondContact CB-O 3.36Å; F150-R152 PolarHBondContact O-N 3.33Å; R152-C165 PolarHBondContact N-O 2.93Å; R152-T167 HydrophobicContact CG-CG2 4.07Å; R152-P203 HydrophobicContact CG-CG 4.16Å; R152-P206 PolarHBondContact NE-O 3.47Å; R152-P206 PolarHBondContact NH2-O 3.03Å; R152-Q208 PolarHBondContact NH2-O 3.32Å; R152-F210 HydrophobicContact CB-CE1 3.84Å; R152-F210 HydrophobicContact CB-CZ 3.84Å; R152-F210 VanDerWaalsContact O-CZ 3.32Å; R152-F210 WeakPolarHBondContact O-CZ 3.42Å
153	V	96.3	Very high	91.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	129.7	-178.4	-174	0	0	0	0	109.6	H155 A164 C165 K201 C202 F210	V153-H155 VanDerWaalsContact CG1-CD2 3.49Å; V153-H155 WeakPolarHBondContact CG1-CD2 3.34Å; V153-A164 CarbonylContact O-C 3.55Å; V153-A164 VanDerWaalsContact O-CA 3.26Å; V153-A164 WeakPolarHBondContact O-CA 3.4Å; V153-C165 HydrophobicContact CB-CB 3.7Å; V153-C165 HydrophobicContact CG2-CB 3.78Å; V153-C165 PolarHBondContact N-O 2.96Å; V153-C165 PolarHBondContact O-N 3.3Å; V153-K201 WeakPolarHBondContact CG2-O 3.34Å; V153-C202 HydrophobicContact CG2-CB 4.25Å; V153-F210 HydrophobicContact CG2-CE2 3.92Å; V153-F210 HydrophobicContact CG2-CZ 4.39Å
154	L	96.6	Very high	92.4	Very high	10 Å²	10	38 Å²	38	5%	0.052	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	113.5	169.6	-70.1	175.3	0	0	0	108.4	L93 L102 I109 V151 V162 A164	L93-L154 HydrophobicContact CB-CB 3.96Å; L93-L154 HydrophobicContact CB-CD1 4.5Å; L93-L154 HydrophobicContact CD2-CB 4.15Å; L102-L154 HydrophobicContact CB-CD1 4.24Å; I109-L154 HydrophobicContact CD1-CD2 4.23Å; I109-L154 HydrophobicContact CG2-CD2 4.43Å; V151-L154 HydrophobicContact CG1-CD2 4.05Å; V151-L154 HydrophobicContact CG1-CG 4.16Å; L154-V162 HydrophobicContact CD2-CG1 4.26Å; L154-A164 HydrophobicContact CD2-CB 3.78Å
155	H	96.1	Very high	93.5	Very high	34 Å²	34	33.3 Å²	33.3	16%	0.157	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	134.7	176.1	-71.5	-70.6	0	0	0	112	V153 Y157 V162 Y163 S212 L214	V153-H155 VanDerWaalsContact CG1-CD2 3.49Å; V153-H155 WeakPolarHBondContact CG1-CD2 3.34Å; H155-Y157 PolarHBondContact O-N 3.45Å; H155-Y157 VanDerWaalsContact O-N 3.1Å; H155-V162 CarbonylContact O-C 3.52Å; H155-V162 WeakPolarHBondContact O-CA 3.2Å; H155-V162 WeakPolarHBondContact O-CG1 3.43Å; H155-Y163 PolarHBondContact N-O 3.19Å; H155-Y163 PolarHBondContact O-N 2.96Å; H155-S212 PolarHBondContact CE1-O 2.86Å; H155-S212 PolarHBondContact NE2-O 2.81Å; H155-S212 PolarHBondContact NE2-OG 2.73Å; H155-L214 HydrophobicContact CB-CB 3.67Å; H155-L214 HydrophobicContact CB-CD2 4.08Å; H155-L214 HydrophobicContact CB-CG 4.42Å
156	N	94.5	Very high	94.3	Very high	63 Å²	63	28.9 Å²	28.9	34%	0.337	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	106.6	169.8	-90.2	-14.2	0	0	0	110	D95 V162 L214	D95-N156 PolarHBondContact OD2-ND2 3.49Å; N156-V162 WeakPolarHBondContact OD1-CG2 3.13Å; N156-L214 WeakPolarHBondContact O-CD2 3.41Å
157	Y	93.1	Very high	94.6	Very high	42 Å²	42	27.3 Å²	27.3	17%	0.165	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-39.9	-178.5	-178.2	-88.6	0	0	0	112.7	H155 H161 F176 L214 Q217 L238	H155-Y157 PolarHBondContact O-N 3.45Å; H155-Y157 VanDerWaalsContact O-N 3.1Å; Y157-H161 WeakPolarHBondContact CB-O 3.43Å; Y157-H161 PolarHBondContact N-O 3.06Å; Y157-F176 AromaticContact CD1-CE1 3.82Å; Y157-F176 HydrophobicContact CD1-CE1 3.82Å; Y157-F176 HydrophobicContact CD1-CZ 4.47Å; Y157-F176 AromaticContact CD2-CE1 3.63Å; Y157-F176 HydrophobicContact CD2-CE1 3.63Å; Y157-F176 HydrophobicContact CD2-CZ 4.02Å; Y157-F176 HydrophobicContact CE1-CE1 4.24Å; Y157-F176 HydrophobicContact CE1-CZ 4.47Å; Y157-F176 HydrophobicContact CE2-CE1 4.04Å; Y157-F176 AromaticContact CE2-CZ 3.97Å; Y157-F176 HydrophobicContact CE2-CZ 3.97Å; Y157-F176 HydrophobicContact CG-CD1 4.44Å; Y157-F176 AromaticContact CG-CE1 3.51Å; Y157-F176 HydrophobicContact CG-CE1 3.51Å; Y157-F176 HydrophobicContact CG-CZ 4.27Å; Y157-L214 HydrophobicContact CD2-CD1 4.43Å; Y157-L214 HydrophobicContact CD2-CD2 3.91Å; Y157-L214 HydrophobicContact CG-CD2 4.36Å; Y157-Q217 HydrophobicContact CD2-CB 4.43Å; Y157-Q217 HydrophobicContact CD2-CG 4.48Å; Y157-Q217 HydrophobicContact CE1-CG 4Å; Y157-Q217 HydrophobicContact CE2-CB 3.64Å; Y157-Q217 HydrophobicContact CE2-CG 3.93Å; Y157-Q217 PolarHBondContact OH-OE1 3.09Å; Y157-L238 HydrophobicContact CD2-CD2 3.89Å; Y157-L238 HydrophobicContact CE2-CD2 3.69Å; Y157-L238 HydrophobicContact CE2-CG 4.14Å
158	N	90.2	Very high	94.7	Very high	64 Å²	64	27.3 Å²	27.3	34%	0.342	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	-171.1	171.4	67.8	42.1	0	0	0	109.7	T160 H161	N158-T160 PolarHBondContact O-N 3.06Å; N158-T160 VanDerWaalsContact O-N 3.09Å; N158-T160 PolarHBondContact OD1-N 3.27Å; N158-T160 PolarHBondContact OD1-OG1 3.27Å; N158-H161 PolarHBondContact N-O 3.33Å; N158-H161 VanDerWaalsContact N-O 3.16Å; N158-H161 WeakPolarHBondContact OD1-CB 3.41Å; N158-H161 PolarHBondContact OD1-N 3.43Å; N158-H161 PolarHBondContact OD1-ND1 3.47Å
159	R	88.4	Confident	94.7	Very high	214 Å²	214	27.4 Å²	27.4	81%	0.808	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-4.9	-177.4	-71.8	-175.8	176.3	160.7	-0.5	115.9	R98	R98-R159 PolarHBondContact NH1-O 2.79Å; R98-R159 PolarHBondContact NH2-O 2.84Å
160	T	90.6	Very high	94.7	Very high	56 Å²	56	27.8 Å²	27.8	34%	0.344	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-139	0.8	178.5	53.6	0	0	0	0	114.1	N158 E178 I179	N158-T160 PolarHBondContact O-N 3.06Å; N158-T160 VanDerWaalsContact O-N 3.09Å; N158-T160 PolarHBondContact OD1-N 3.27Å; N158-T160 PolarHBondContact OD1-OG1 3.27Å; T160-E178 WeakPolarHBondContact O-CA 3.48Å; T160-I179 WeakPolarHBondContact CA-O 3.44Å; T160-I179 PolarHBondContact O-N 2.99Å
161	H	93.4	Very high	94.7	Very high	50 Å²	50	31.5 Å²	31.5	23%	0.231	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	132.8	-175	-66.7	69.4	0	0	0	111.6	Y157 N158 F176 I177	Y157-H161 WeakPolarHBondContact CB-O 3.43Å; Y157-H161 PolarHBondContact N-O 3.06Å; N158-H161 PolarHBondContact N-O 3.33Å; N158-H161 VanDerWaalsContact N-O 3.16Å; N158-H161 WeakPolarHBondContact OD1-CB 3.41Å; N158-H161 PolarHBondContact OD1-N 3.43Å; N158-H161 PolarHBondContact OD1-ND1 3.47Å; H161-F176 HydrophobicContact CB-CD1 4.22Å; H161-I177 WeakPolarHBondContact CA-O 3.25Å
162	V	95.6	Very high	94.7	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.012	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	134	168.3	172.4	0	0	0	0	108.3	L93 L102 L154 H155 N156 F176 I177 I179	L93-V162 HydrophobicContact CD2-CG1 4.05Å; L93-V162 HydrophobicContact CD2-CG2 4.29Å; L102-V162 HydrophobicContact CD1-CG1 4.31Å; L102-V162 HydrophobicContact CD1-CG2 3.8Å; L154-V162 HydrophobicContact CD2-CG1 4.26Å; H155-V162 CarbonylContact O-C 3.52Å; H155-V162 WeakPolarHBondContact O-CA 3.2Å; H155-V162 WeakPolarHBondContact O-CG1 3.43Å; N156-V162 WeakPolarHBondContact OD1-CG2 3.13Å; V162-F176 CarbonylContact O-C 3.55Å; V162-F176 WeakPolarHBondContact O-CA 3.23Å; V162-I177 HydrophobicContact CB-CB 4.41Å; V162-I177 PolarHBondContact N-O 2.64Å; V162-I177 PolarHBondContact O-N 3.43Å; V162-I179 HydrophobicContact CB-CD1 4.36Å; V162-I179 HydrophobicContact CG2-CD1 3.66Å; V162-I179 HydrophobicContact CG2-CG1 4.38Å
163	Y	96.8	Very high	94.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	125.9	168.6	-168.8	-111.9	0	0	0	108.9	H155 C174 F176 D196 K201 L219 L238	H155-Y163 PolarHBondContact N-O 3.19Å; H155-Y163 PolarHBondContact O-N 2.96Å; Y163-C174 HydrophobicContact CE1-CB 4Å; Y163-C174 HydrophobicContact CE2-CB 4.02Å; Y163-C174 VanDerWaalsContact CZ-CB 3.46Å; Y163-C174 WeakPolarHBondContact OH-CB 3.45Å; Y163-F176 AromaticContact CD2-CD1 3.9Å; Y163-F176 HydrophobicContact CD2-CD1 3.9Å; Y163-F176 HydrophobicContact CD2-CD2 4.06Å; Y163-F176 AromaticContact CD2-CE1 3.57Å; Y163-F176 HydrophobicContact CD2-CE1 3.57Å; Y163-F176 AromaticContact CD2-CE2 3.76Å; Y163-F176 HydrophobicContact CD2-CE2 3.76Å; Y163-F176 HydrophobicContact CD2-CG 4.15Å; Y163-F176 AromaticContact CD2-CZ 3.51Å; Y163-F176 HydrophobicContact CD2-CZ 3.51Å; Y163-F176 HydrophobicContact CE2-CD2 4.37Å; Y163-F176 AromaticContact CE2-CE2 3.95Å; Y163-F176 HydrophobicContact CE2-CE2 3.95Å; Y163-F176 HydrophobicContact CE2-CZ 4.04Å; Y163-F176 HydrophobicContact CG-CE1 4.18Å; Y163-F176 HydrophobicContact CG-CZ 4.4Å; Y163-D196 PolarHBondContact OH-OD1 3.19Å; Y163-K201 HydrophobicContact CE1-CD 4.39Å; Y163-K201 WeakPolarHBondContact OH-CD 3.05Å; Y163-K201 PolarHBondContact OH-NZ 2.64Å; Y163-L219 HydrophobicContact CD1-CD2 4.28Å; Y163-L219 HydrophobicContact CE1-CD2 3.89Å; Y163-L238 HydrophobicContact CD1-CD2 4.02Å; Y163-L238 HydrophobicContact CD2-CD2 4.22Å; Y163-L238 HydrophobicContact CE1-CD2 4.13Å; Y163-L238 HydrophobicContact CE2-CD1 4.08Å; Y163-L238 HydrophobicContact CE2-CD2 4.33Å; Y163-L238 HydrophobicContact CG-CD2 4.05Å
164	A	97.5	Very high	94.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	143.9	-174.9	0	0	0	0	0	111.4	I109 W126 V153 L154 C174 A175 I177	I109-A164 HydrophobicContact CD1-CB 4.04Å; W126-A164 HydrophobicContact CZ3-CB 4.11Å; V153-A164 CarbonylContact O-C 3.55Å; V153-A164 VanDerWaalsContact O-CA 3.26Å; V153-A164 WeakPolarHBondContact O-CA 3.4Å; L154-A164 HydrophobicContact CD2-CB 3.78Å; A164-C174 CarbonylContact O-C 3.55Å; A164-C174 WeakPolarHBondContact O-CA 3.49Å; A164-A175 PolarHBondContact N-O 3.03Å; A164-A175 PolarHBondContact O-N 3.31Å; A164-I177 HydrophobicContact CB-CD1 3.62Å; A164-I177 HydrophobicContact CB-CG1 4.21Å
165	C	97.2	Very high	94.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	148.1	173	-46.2	0	0	0	0	112.3	R152 V153 T173 C174 C202	R152-C165 PolarHBondContact N-O 2.93Å; V153-C165 HydrophobicContact CB-CB 3.7Å; V153-C165 HydrophobicContact CG2-CB 3.78Å; V153-C165 PolarHBondContact N-O 2.96Å; V153-C165 PolarHBondContact O-N 3.3Å; C165-T173 CarbonylContact C-O 3.55Å; C165-T173 WeakPolarHBondContact CA-O 3.1Å; C165-T173 WeakPolarHBondContact CB-O 3.31Å; C165-C174 HydrophobicContact CB-CB 3.98Å; C165-C174 WeakPolarHBondContact CB-SG 3.33Å; C165-C174 WeakPolarHBondContact SG-CB 3.16Å; C165-C174 CovalentContact SG-SG 2.03Å; C165-C174 PolarHBondContact SG-SG 3.37Å; C165-C202 HydrophobicContact CB-CB 3.73Å
166	G	96.5	Very high	94.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	171.3	173	0	0	0	0	0	113.4	N149 F150 G168 P172 T173 C202	N149-G166 WeakPolarHBondContact OD1-CA 3.44Å; F150-G166 CarbonylContact O-C 3.3Å; F150-G166 WeakPolarHBondContact O-CA 3.16Å; G166-G168 VanDerWaalsContact C-N 3.27Å; G166-G168 PolarHBondContact O-N 2.98Å; G166-P172 VanDerWaalsContact O-CA 3.28Å; G166-P172 WeakPolarHBondContact O-CA 3.08Å; G166-T173 PolarHBondContact N-O 3.31Å; G166-T173 PolarHBondContact O-N 2.78Å; G166-T173 VanDerWaalsContact O-N 3.13Å; G166-C202 PolarHBondContact O-SG 3.39Å; G166-C202 VanDerWaalsContact O-SG 3.36Å
167	T	95.6	Very high	94.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.134	C	C	.	.			trans	-70.5	-19.4	-174.1	58.5	0	0	0	0	114	A148 N149 F150 R152 A169 F170 H171 P206	A148-T167 PolarHBondContact O-OG1 3.03Å; N149-T167 PolarHBondContact OD1-N 3.39Å; F150-T167 HydrophobicContact CB-CG2 4.2Å; F150-T167 PolarHBondContact N-OG1 3.3Å; F150-T167 PolarHBondContact O-N 2.66Å; R152-T167 HydrophobicContact CG-CG2 4.07Å; T167-A169 VanDerWaalsContact C-N 3.25Å; T167-A169 PolarHBondContact O-N 2.85Å; T167-A169 VanDerWaalsContact O-N 3.17Å; T167-F170 PolarHBondContact O-N 2.96Å; T167-F170 VanDerWaalsContact O-N 3.1Å; T167-H171 CarbonylContact O-C 3.5Å; T167-H171 VanDerWaalsContact O-C 3.3Å; T167-H171 PolarHBondContact O-N 2.83Å; T167-P206 HydrophobicContact CG2-CB 4.13Å
168	G	95.1	Very high	95	Very high	5 Å²	5	28.6 Å²	28.6	5%	0.052	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	31.2	176.5	0	0	0	0	0	115.6	N149 G166 H171	N149-G168 WeakPolarHBondContact OD1-CA 3.4Å; N149-G168 PolarHBondContact OD1-N 3.43Å; G166-G168 VanDerWaalsContact C-N 3.27Å; G166-G168 PolarHBondContact O-N 2.98Å; G168-H171 WeakPolarHBondContact CA-O 3.5Å; G168-H171 PolarHBondContact O-N 3.37Å
169	A	95.5	Very high	95.1	Very high	3 Å²	3	26.8 Å²	26.8	3%	0.025	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	63.2	-167.9	0	0	0	0	0	112.5	A128 V133 C136 C147 A148 T167 H171	A128-A169 HydrophobicContact CB-CB 3.63Å; V133-A169 HydrophobicContact CG2-CB 4.06Å; C136-A169 HydrophobicContact CB-CB 4.21Å; C147-A169 HydrophobicContact CB-CB 4.32Å; A148-A169 WeakPolarHBondContact O-CA 3.43Å; A148-A169 PolarHBondContact O-N 2.91Å; T167-A169 VanDerWaalsContact C-N 3.25Å; T167-A169 PolarHBondContact O-N 2.85Å; T167-A169 VanDerWaalsContact O-N 3.17Å; A169-H171 PolarHBondContact O-N 2.78Å
170	F	94.3	Very high	94.9	Very high	10 Å²	10	18 Å²	18	4%	0.044	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	28.9	-174.4	-71.3	-110.8	0	0	0	113.6	K141 E146 T167 F204 D205 F227	K141-F170 HydrophobicContact CD-CZ 4.25Å; K141-F170 HydrophobicContact CG-CE2 4.42Å; K141-F170 HydrophobicContact CG-CZ 4.42Å; E146-F170 HydrophobicContact CB-CE2 3.83Å; E146-F170 HydrophobicContact CG-CE2 4.39Å; T167-F170 PolarHBondContact O-N 2.96Å; T167-F170 VanDerWaalsContact O-N 3.1Å; F170-F204 HydrophobicContact CD1-CB 3.93Å; F170-F204 HydrophobicContact CE1-CB 4.42Å; F170-F204 WeakPolarHBondContact O-CD1 3.08Å; F170-D205 HydrophobicContact CE1-CB 3.66Å; F170-D205 VanDerWaalsContact CZ-CA 3.45Å; F170-D205 HydrophobicContact CZ-CB 3.55Å; F170-D205 WeakPolarHBondContact CZ-OD2 3.37Å; F170-F227 HydrophobicContact CB-CD2 3.92Å; F170-F227 HydrophobicContact CB-CE2 3.5Å; F170-F227 HydrophobicContact CB-CZ 4.43Å; F170-F227 AromaticContact CD1-CD2 3.8Å; F170-F227 HydrophobicContact CD1-CD2 3.8Å; F170-F227 HydrophobicContact CD1-CE1 4.43Å; F170-F227 AromaticContact CD1-CE2 3.55Å; F170-F227 HydrophobicContact CD1-CE2 3.55Å; F170-F227 HydrophobicContact CD1-CG 4.36Å; F170-F227 AromaticContact CD1-CZ 3.88Å; F170-F227 HydrophobicContact CD1-CZ 3.88Å; F170-F227 HydrophobicContact CG-CD2 4.31Å; F170-F227 AromaticContact CG-CE2 3.82Å; F170-F227 HydrophobicContact CG-CE2 3.82Å; F170-F227 HydrophobicContact CG-CZ 4.35Å
171	H	95.1	Very high	94	Very high	77 Å²	77	18.8 Å²	18.8	36%	0.356	12%	0.116	S	C	.	.	S	Bend	trans	-139.7	75.3	170.9	-165.5	75.5	0	0	0	109.9	R132 T167 G168 A169 T173	R132-H171 HydrophobicContact CG-CB 4.09Å; R132-H171 PolarHBondContact NE-CD2 3.12Å; R132-H171 PolarHBondContact NE-ND1 3.16Å; R132-H171 PolarHBondContact NE-NE2 3.4Å; R132-H171 PolarHBondContact NH2-CE1 2.69Å; R132-H171 PolarHBondContact NH2-NE2 2.88Å; T167-H171 CarbonylContact O-C 3.5Å; T167-H171 VanDerWaalsContact O-C 3.3Å; T167-H171 PolarHBondContact O-N 2.83Å; G168-H171 WeakPolarHBondContact CA-O 3.5Å; G168-H171 PolarHBondContact O-N 3.37Å; A169-H171 PolarHBondContact O-N 2.78Å; H171-T173 PolarHBondContact O-N 3.05Å
172	P	95.6	Very high	92.5	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.019	14%	0.143	C	C	.	.			trans	-61.4	137.9	-165.3	-26.9	36.7	0	0	0	113.7	G166 G198 C202 P203 F204	G166-P172 VanDerWaalsContact O-CA 3.28Å; G166-P172 WeakPolarHBondContact O-CA 3.08Å; P172-G198 WeakPolarHBondContact O-CA 3.05Å; P172-G198 PolarHBondContact O-N 2.76Å; P172-C202 HydrophobicContact CB-CB 4.03Å; P172-P203 WeakPolarHBondContact CG-O 3.45Å; P172-F204 HydrophobicContact CG-CD1 3.98Å; P172-F204 HydrophobicContact CG-CD2 4.49Å; P172-F204 HydrophobicContact CG-CE1 4.31Å; P172-F204 HydrophobicContact CG-CG 4.08Å
173	T	96.4	Very high	91.1	Very high	42 Å²	42	34.4 Å²	34.4	26%	0.258	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	150.9	-179.8	52.4	0	0	0	0	110.5	C165 G166 H171	C165-T173 CarbonylContact C-O 3.55Å; C165-T173 WeakPolarHBondContact CA-O 3.1Å; C165-T173 WeakPolarHBondContact CB-O 3.31Å; G166-T173 PolarHBondContact N-O 3.31Å; G166-T173 PolarHBondContact O-N 2.78Å; G166-T173 VanDerWaalsContact O-N 3.13Å; H171-T173 PolarHBondContact O-N 3.05Å
174	C	96.9	Very high	89.5	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	157.5	172.4	-61.3	0	0	0	0	110.4	Y163 A164 C165 A195 D196 G198	Y163-C174 HydrophobicContact CE1-CB 4Å; Y163-C174 HydrophobicContact CE2-CB 4.02Å; Y163-C174 VanDerWaalsContact CZ-CB 3.46Å; Y163-C174 WeakPolarHBondContact OH-CB 3.45Å; A164-C174 CarbonylContact O-C 3.55Å; A164-C174 WeakPolarHBondContact O-CA 3.49Å; C165-C174 HydrophobicContact CB-CB 3.98Å; C165-C174 WeakPolarHBondContact CB-SG 3.33Å; C165-C174 WeakPolarHBondContact SG-CB 3.16Å; C165-C174 CovalentContact SG-SG 2.03Å; C165-C174 PolarHBondContact SG-SG 3.37Å; C174-A195 CarbonylContact O-C 3.32Å; C174-A195 VanDerWaalsContact O-CA 3.27Å; C174-A195 WeakPolarHBondContact O-CA 3.45Å; C174-D196 WeakPolarHBondContact CB-OD1 3.36Å; C174-D196 PolarHBondContact N-O 3.15Å; C174-D196 PolarHBondContact O-N 3.08Å; C174-G198 WeakPolarHBondContact SG-CA 3.48Å
175	A	96.8	Very high	88	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.008	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	167.3	170.5	0	0	0	0	0	110.4	W126 A164 L190 A195	W126-A175 HydrophobicContact CH2-CB 4.5Å; W126-A175 HydrophobicContact CZ2-CB 4.23Å; A164-A175 PolarHBondContact N-O 3.03Å; A164-A175 PolarHBondContact O-N 3.31Å; A175-L190 HydrophobicContact CB-CD1 3.91Å; A175-L190 HydrophobicContact CB-CG 4.41Å; A175-A195 HydrophobicContact CB-CB 4.36Å
176	F	96.6	Very high	87.2	Confident	33 Å²	33	50 Å²	50	15%	0.145	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	148.3	168.5	-71.1	-84	0	0	0	112.3	Y157 H161 V162 Y163 L191 T194 L238	Y157-F176 AromaticContact CD1-CE1 3.82Å; Y157-F176 HydrophobicContact CD1-CE1 3.82Å; Y157-F176 HydrophobicContact CD1-CZ 4.47Å; Y157-F176 AromaticContact CD2-CE1 3.63Å; Y157-F176 HydrophobicContact CD2-CE1 3.63Å; Y157-F176 HydrophobicContact CD2-CZ 4.02Å; Y157-F176 HydrophobicContact CE1-CE1 4.24Å; Y157-F176 HydrophobicContact CE1-CZ 4.47Å; Y157-F176 HydrophobicContact CE2-CE1 4.04Å; Y157-F176 AromaticContact CE2-CZ 3.97Å; Y157-F176 HydrophobicContact CE2-CZ 3.97Å; Y157-F176 HydrophobicContact CG-CD1 4.44Å; Y157-F176 AromaticContact CG-CE1 3.51Å; Y157-F176 HydrophobicContact CG-CE1 3.51Å; Y157-F176 HydrophobicContact CG-CZ 4.27Å; H161-F176 HydrophobicContact CB-CD1 4.22Å; V162-F176 CarbonylContact O-C 3.55Å; V162-F176 WeakPolarHBondContact O-CA 3.23Å; Y163-F176 AromaticContact CD2-CD1 3.9Å; Y163-F176 HydrophobicContact CD2-CD1 3.9Å; Y163-F176 HydrophobicContact CD2-CD2 4.06Å; Y163-F176 AromaticContact CD2-CE1 3.57Å; Y163-F176 HydrophobicContact CD2-CE1 3.57Å; Y163-F176 AromaticContact CD2-CE2 3.76Å; Y163-F176 HydrophobicContact CD2-CE2 3.76Å; Y163-F176 HydrophobicContact CD2-CG 4.15Å; Y163-F176 AromaticContact CD2-CZ 3.51Å; Y163-F176 HydrophobicContact CD2-CZ 3.51Å; Y163-F176 HydrophobicContact CE2-CD2 4.37Å; Y163-F176 AromaticContact CE2-CE2 3.95Å; Y163-F176 HydrophobicContact CE2-CE2 3.95Å; Y163-F176 HydrophobicContact CE2-CZ 4.04Å; Y163-F176 HydrophobicContact CG-CE1 4.18Å; Y163-F176 HydrophobicContact CG-CZ 4.4Å; F176-L191 HydrophobicContact CB-CD1 4.17Å; F176-L191 WeakPolarHBondContact O-CB 3.44Å; F176-L191 PolarHBondContact O-N 2.77Å; F176-T194 HydrophobicContact CD2-CG2 4.3Å; F176-T194 PolarHBondContact N-OG1 2.62Å; F176-L238 HydrophobicContact CZ-CD1 4.37Å
177	I	96.5	Very high	86.8	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	124.2	170.6	-58.7	168.4	0	0	0	107.4	I109 I124 H161 V162 A164 I179 F188 Q189 L190	I109-I177 HydrophobicContact CD1-CD1 3.45Å; I109-I177 VanDerWaalsContact CD1-CD1 3.45Å; I109-I177 HydrophobicContact CG2-CD1 4.32Å; I124-I177 HydrophobicContact CD1-CD1 4.38Å; I124-I177 HydrophobicContact CD1-CG1 4.3Å; I124-I177 HydrophobicContact CD1-CG2 3.61Å; H161-I177 WeakPolarHBondContact CA-O 3.25Å; V162-I177 HydrophobicContact CB-CB 4.41Å; V162-I177 PolarHBondContact N-O 2.64Å; V162-I177 PolarHBondContact O-N 3.43Å; A164-I177 HydrophobicContact CB-CD1 3.62Å; A164-I177 HydrophobicContact CB-CG1 4.21Å; I177-I179 HydrophobicContact CG2-CD1 4.29Å; I177-I179 HydrophobicContact CG2-CG1 3.93Å; I177-F188 HydrophobicContact CG2-CD2 4.03Å; I177-F188 HydrophobicContact CG2-CE2 3.85Å; I177-Q189 CarbonylContact C-O 3.6Å; I177-Q189 VanDerWaalsContact CA-O 3.32Å; I177-Q189 WeakPolarHBondContact CA-O 3.49Å; I177-L190 HydrophobicContact CG1-CD1 3.73Å
178	E	94.8	Very high	86.7	Confident	41 Å²	41	53.4 Å²	53.4	19%	0.192	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	130.5	170.7	-164.2	-159.3	153.3	0	0	110.1	T160 S180 V187 F188 Q189 L191	T160-E178 WeakPolarHBondContact O-CA 3.48Å; E178-S180 WeakPolarHBondContact OE1-CB 3.43Å; E178-S180 PolarHBondContact OE1-OG 2.96Å; E178-V187 HydrophobicContact CB-CG1 4.42Å; E178-V187 HydrophobicContact CG-CG1 4.43Å; E178-F188 WeakPolarHBondContact O-CA 3.07Å; E178-Q189 HydrophobicContact CB-CG 4.05Å; E178-Q189 PolarHBondContact N-O 2.72Å; E178-Q189 PolarHBondContact O-N 3.44Å; E178-Q189 VanDerWaalsContact O-N 3.15Å; E178-Q189 PolarHBondContact OE2-NE2 3.19Å; E178-L191 HydrophobicContact CB-CD1 4.35Å; E178-L191 HydrophobicContact CB-CD2 4.35Å; E178-L191 HydrophobicContact CB-CG 4.46Å
179	I	91.4	Very high	86.7	Confident	25 Å²	25	57.5 Å²	57.5	13%	0.128	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	93.3	175.6	-44.5	-169.6	0	0	0	108	L102 T160 V162 I177 V187 F188	L102-I179 HydrophobicContact CD1-CD1 3.65Å; L102-I179 HydrophobicContact CD2-CD1 4.06Å; L102-I179 HydrophobicContact CG-CD1 4.37Å; T160-I179 WeakPolarHBondContact CA-O 3.44Å; T160-I179 PolarHBondContact O-N 2.99Å; V162-I179 HydrophobicContact CB-CD1 4.36Å; V162-I179 HydrophobicContact CG2-CD1 3.66Å; V162-I179 HydrophobicContact CG2-CG1 4.38Å; I177-I179 HydrophobicContact CG2-CD1 4.29Å; I177-I179 HydrophobicContact CG2-CG1 3.93Å; I179-V187 WeakPolarHBondContact CA-O 3.39Å; I179-F188 HydrophobicContact CD1-CD2 4.17Å; I179-F188 HydrophobicContact CD1-CE2 4.13Å; I179-F188 HydrophobicContact CG1-CD2 4.07Å; I179-F188 HydrophobicContact CG1-CE2 4.45Å
180	S	84.3	Confident	86.7	Confident	29 Å²	29	59 Å²	59	20%	0.203	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	156.7	-175.1	70	0	0	0	0	111.7	E178 G186 V187	E178-S180 WeakPolarHBondContact OE1-CB 3.43Å; E178-S180 PolarHBondContact OE1-OG 2.96Å; S180-G186 CarbonylContact O-C 3.45Å; S180-G186 WeakPolarHBondContact O-CA 3.06Å; S180-V187 PolarHBondContact N-O 3.09Å; S180-V187 PolarHBondContact O-N 3.24Å; S180-V187 WeakPolarHBondContact OG-CB 3.39Å; S180-V187 VanDerWaalsContact OG-CG2 3.28Å; S180-V187 WeakPolarHBondContact OG-CG2 3.43Å
181	G	72.2	Confident	86.8	Confident	74 Å²	74	60 Å²	60	76%	0.763	31%	0.311	S	S	*	.	S	Bend	trans	79.1	-170.7	-172.4	0	0	0	0	0	114.3
182	Q	62.8	Low	86.5	Confident	171 Å²	171	61.2 Å²	61.2	80%	0.799	33%	0.325	S	S	*	.	S	Bend	trans	-116.6	135.5	178.2	-74.9	-169.1	-15.4	0	0	111.5	E184	Q182-E184 PolarHBondContact O-N 3.1Å; Q182-E184 VanDerWaalsContact O-N 3.14Å
183	R	65.1	Low	86.3	Confident	208 Å²	208	67.9 Å²	67.9	79%	0.785	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	-109.4	169.9	-62.5	179.2	171.1	177	-3.1	114.2	R122	R122-R183 PolarHBondContact NH1-O 2.76Å
184	E	62.6	Low	86.1	Confident	155 Å²	155	67.8 Å²	67.8	72%	0.724	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-42.1	-163.5	-69.1	171.4	-164.3	0	0	111.6	R122 Q182 G186	R122-E184 PolarHBondContact NH1-O 2.91Å; R122-E184 VanDerWaalsContact NH1-O 3.07Å; Q182-E184 PolarHBondContact O-N 3.1Å; Q182-E184 VanDerWaalsContact O-N 3.14Å; E184-G186 PolarHBondContact O-N 2.81Å
185	D	67.6	Low	85.9	Confident	163 Å²	163	70.8 Å²	70.8	87%	0.872	39%	0.385	S	S	*	.	S	Bend	trans	-77.8	-2.4	177.9	-59.9	-51.4	0	0	0	114.3
186	G	79.1	Confident	85.8	Confident	10 Å²	10	73.7 Å²	73.7	10%	0.103	40%	0.4	C	S	.	.	S	Bend	trans	-67.3	164.1	-180	0	0	0	0	0	114	R122 S180 E184	R122-G186 PolarHBondContact NH1-O 2.83Å; R122-G186 PolarHBondContact NH2-O 2.69Å; S180-G186 CarbonylContact O-C 3.45Å; S180-G186 WeakPolarHBondContact O-CA 3.06Å; E184-G186 PolarHBondContact O-N 2.81Å
187	V	89.1	Confident	85.6	Confident	50 Å²	50	75.6 Å²	75.6	30%	0.303	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	139.7	166.2	-173.6	0	0	0	0	109.2	E178 I179 S180 Q189	E178-V187 HydrophobicContact CB-CG1 4.42Å; E178-V187 HydrophobicContact CG-CG1 4.43Å; I179-V187 WeakPolarHBondContact CA-O 3.39Å; S180-V187 PolarHBondContact N-O 3.09Å; S180-V187 PolarHBondContact O-N 3.24Å; S180-V187 WeakPolarHBondContact OG-CB 3.39Å; S180-V187 VanDerWaalsContact OG-CG2 3.28Å; S180-V187 WeakPolarHBondContact OG-CG2 3.43Å; V187-Q189 HydrophobicContact CG1-CB 4.3Å; V187-Q189 HydrophobicContact CG1-CG 3.62Å
188	F	93.8	Very high	85.5	Confident	21 Å²	21	75.6 Å²	75.6	9%	0.092	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	94.1	168.2	179.6	-122.2	0	0	0	108	L102 I109 L111 R122 I124 I177 E178 I179	L102-F188 HydrophobicContact CD2-CE2 3.77Å; L102-F188 HydrophobicContact CD2-CZ 4.08Å; I109-F188 HydrophobicContact CG2-CZ 4.29Å; L111-F188 HydrophobicContact CB-CD1 4.08Å; L111-F188 HydrophobicContact CB-CD2 4.14Å; L111-F188 HydrophobicContact CB-CE1 3.74Å; L111-F188 HydrophobicContact CB-CE2 3.84Å; L111-F188 HydrophobicContact CB-CG 4.26Å; L111-F188 HydrophobicContact CB-CZ 3.63Å; L111-F188 HydrophobicContact CD2-CB 4.11Å; L111-F188 HydrophobicContact CD2-CD1 4.35Å; L111-F188 HydrophobicContact CD2-CD2 3.83Å; L111-F188 HydrophobicContact CD2-CE2 4.32Å; L111-F188 HydrophobicContact CD2-CG 3.84Å; R122-F188 HydrophobicContact CB-CD1 3.81Å; R122-F188 HydrophobicContact CB-CE1 4.31Å; I124-F188 HydrophobicContact CB-CE1 4.39Å; I124-F188 HydrophobicContact CD1-CD1 4.18Å; I124-F188 HydrophobicContact CD1-CD2 4.15Å; I124-F188 HydrophobicContact CD1-CE1 3.84Å; I124-F188 HydrophobicContact CD1-CE2 3.78Å; I124-F188 HydrophobicContact CD1-CG 4.34Å; I124-F188 HydrophobicContact CD1-CZ 3.62Å; I124-F188 HydrophobicContact CG1-CD1 4.03Å; I124-F188 HydrophobicContact CG1-CE1 3.68Å; I124-F188 HydrophobicContact CG1-CZ 3.96Å; I177-F188 HydrophobicContact CG2-CD2 4.03Å; I177-F188 HydrophobicContact CG2-CE2 3.85Å; E178-F188 WeakPolarHBondContact O-CA 3.07Å; I179-F188 HydrophobicContact CD1-CD2 4.17Å; I179-F188 HydrophobicContact CD1-CE2 4.13Å; I179-F188 HydrophobicContact CG1-CD2 4.07Å; I179-F188 HydrophobicContact CG1-CE2 4.45Å
189	Q	94.8	Very high	85.4	Confident	92 Å²	92	80.2 Å²	80.2	43%	0.43	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	140.7	-173.1	68.2	-171.5	-9.9	0	0	112.5	I177 E178 V187 L191	I177-Q189 CarbonylContact C-O 3.6Å; I177-Q189 VanDerWaalsContact CA-O 3.32Å; I177-Q189 WeakPolarHBondContact CA-O 3.49Å; E178-Q189 HydrophobicContact CB-CG 4.05Å; E178-Q189 PolarHBondContact N-O 2.72Å; E178-Q189 PolarHBondContact O-N 3.44Å; E178-Q189 VanDerWaalsContact O-N 3.15Å; E178-Q189 PolarHBondContact OE2-NE2 3.19Å; V187-Q189 HydrophobicContact CG1-CB 4.3Å; V187-Q189 HydrophobicContact CG1-CG 3.62Å; Q189-L191 HydrophobicContact CG-CD2 4.05Å
190	L	95.5	Very high	85.5	Confident	35 Å²	35	80.6 Å²	80.6	18%	0.183	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	142.5	166.2	-166.8	71.2	0	0	0	108.8	I124 W126 A175 I177 P192	I124-L190 HydrophobicContact CD1-CB 4.4Å; I124-L190 HydrophobicContact CG2-CB 4.01Å; W126-L190 HydrophobicContact CB-CD2 4.26Å; W126-L190 HydrophobicContact CD2-CD1 4.35Å; W126-L190 HydrophobicContact CD2-CD2 3.96Å; W126-L190 HydrophobicContact CE3-CD1 4.44Å; W126-L190 HydrophobicContact CG-CD2 3.69Å; A175-L190 HydrophobicContact CB-CD1 3.91Å; A175-L190 HydrophobicContact CB-CG 4.41Å; I177-L190 HydrophobicContact CG1-CD1 3.73Å; L190-P192 WeakPolarHBondContact O-CD 3.06Å
191	L	95.8	Very high	86	Confident	31 Å²	31	80 Å²	80	16%	0.162	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	91.1	179	-59.7	179.3	0	0	0	110.1	F176 E178 Q189 N193 T194	F176-L191 HydrophobicContact CB-CD1 4.17Å; F176-L191 WeakPolarHBondContact O-CB 3.44Å; F176-L191 PolarHBondContact O-N 2.77Å; E178-L191 HydrophobicContact CB-CD1 4.35Å; E178-L191 HydrophobicContact CB-CD2 4.35Å; E178-L191 HydrophobicContact CB-CG 4.46Å; Q189-L191 HydrophobicContact CG-CD2 4.05Å; L191-N193 VanDerWaalsContact C-N 3.27Å; L191-N193 PolarHBondContact O-N 2.73Å; L191-T194 HydrophobicContact CB-CG2 3.87Å; L191-T194 HydrophobicContact CD1-CG2 4.43Å; L191-T194 WeakPolarHBondContact O-CB 3.3Å; L191-T194 PolarHBondContact O-N 3.38Å; L191-T194 PolarHBondContact O-OG1 2.89Å
192	P	89.1	Confident	87	Confident	101 Å²	101	76.5 Å²	76.5	66%	0.656	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	-23.4	-166.7	-17.3	33.3	0	0	0	113.3	L190 T194 A195	L190-P192 WeakPolarHBondContact O-CD 3.06Å; P192-T194 PolarHBondContact O-N 2.78Å; P192-A195 VanDerWaalsContact O-CB 3.25Å; P192-A195 WeakPolarHBondContact O-CB 3.37Å; P192-A195 PolarHBondContact O-N 3.2Å
193	N	91.4	Very high	88.6	Confident	143 Å²	143	68.4 Å²	68.4	77%	0.765	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.3	-10	170.9	64.3	-40.9	0	0	0	113.7	L191	L191-N193 VanDerWaalsContact C-N 3.27Å; L191-N193 PolarHBondContact O-N 2.73Å
194	T	92.4	Very high	90	Very high	41 Å²	41	59.3 Å²	59.3	25%	0.252	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	5.1	174	73.1	0	0	0	0	113.2	F176 L191 P192 D196	F176-T194 HydrophobicContact CD2-CG2 4.3Å; F176-T194 PolarHBondContact N-OG1 2.62Å; L191-T194 HydrophobicContact CB-CG2 3.87Å; L191-T194 HydrophobicContact CD1-CG2 4.43Å; L191-T194 WeakPolarHBondContact O-CB 3.3Å; L191-T194 PolarHBondContact O-N 3.38Å; L191-T194 PolarHBondContact O-OG1 2.89Å; P192-T194 PolarHBondContact O-N 2.78Å; T194-D196 PolarHBondContact O-N 2.83Å
195	A	93.1	Very high	91.4	Very high	63 Å²	63	53.5 Å²	53.5	52%	0.521	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	127.7	-176.1	0	0	0	0	0	111.6	C174 A175 P192	C174-A195 CarbonylContact O-C 3.32Å; C174-A195 VanDerWaalsContact O-CA 3.27Å; C174-A195 WeakPolarHBondContact O-CA 3.45Å; A175-A195 HydrophobicContact CB-CB 4.36Å; P192-A195 VanDerWaalsContact O-CB 3.25Å; P192-A195 WeakPolarHBondContact O-CB 3.37Å; P192-A195 PolarHBondContact O-N 3.2Å
196	D	93.4	Very high	92.5	Very high	61 Å²	61	45.7 Å²	45.7	33%	0.326	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	171	-176.2	98.3	-79.1	0	0	0	112	Y163 C174 T194 G198 K201	Y163-D196 PolarHBondContact OH-OD1 3.19Å; C174-D196 WeakPolarHBondContact CB-OD1 3.36Å; C174-D196 PolarHBondContact N-O 3.15Å; C174-D196 PolarHBondContact O-N 3.08Å; T194-D196 PolarHBondContact O-N 2.83Å; D196-G198 PolarHBondContact O-N 3.38Å; D196-K201 IonicContact OD1-NZ 3.94Å; D196-K201 PolarHBondContact OD1-NZ 3.37Å; D196-K201 IonicContact OD2-NZ 2.68Å; D196-K201 PolarHBondContact OD2-NZ 3.35Å
197	S	93.9	Very high	92.9	Very high	73 Å²	73	50 Å²	50	51%	0.51	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	123.3	-174.2	-168.7	0	0	0	0	111.1	R199	S197-R199 VanDerWaalsContact C-N 3.25Å; S197-R199 PolarHBondContact O-N 3.25Å
198	G	93.3	Very high	93	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.262	C	S	.	.			trans	-81.3	0.4	174.9	0	0	0	0	0	114	P172 C174 D196 L200 K201 C202	P172-G198 WeakPolarHBondContact O-CA 3.05Å; P172-G198 PolarHBondContact O-N 2.76Å; C174-G198 WeakPolarHBondContact SG-CA 3.48Å; D196-G198 PolarHBondContact O-N 3.38Å; G198-L200 PolarHBondContact O-N 3.08Å; G198-K201 CarbonylContact O-C 3.59Å; G198-K201 WeakPolarHBondContact O-CA 3.22Å; G198-K201 WeakPolarHBondContact O-CB 3.48Å; G198-K201 PolarHBondContact O-N 3.48Å; G198-C202 PolarHBondContact O-N 3.21Å
199	R	93.4	Very high	92.8	Very high	139 Å²	139	49.5 Å²	49.5	53%	0.525	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	130.9	175	-175.7	173.7	-173	-169.3	2.4	109.1	S197 K201 F204 S225	S197-R199 VanDerWaalsContact C-N 3.25Å; S197-R199 PolarHBondContact O-N 3.25Å; R199-K201 PolarHBondContact O-N 3.13Å; R199-F204 HydrophobicContact CG-CE2 4.35Å; R199-F204 HydrophobicContact CG-CZ 3.97Å; R199-S225 PolarHBondContact NE-O 3.26Å; R199-S225 VanDerWaalsContact NE-O 3.14Å; R199-S225 PolarHBondContact NH2-O 2.84Å
200	L	92.5	Very high	92.8	Very high	33 Å²	33	46.4 Å²	46.4	17%	0.173	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.8	-2.2	-173.7	-59.2	153.7	0	0	0	115.2	G198 T223 T233 T235	G198-L200 PolarHBondContact O-N 3.08Å; L200-T223 WeakPolarHBondContact O-CG2 3.18Å; L200-T233 HydrophobicContact CD2-CG2 3.39Å; L200-T235 HydrophobicContact CB-CG2 4.45Å; L200-T235 HydrophobicContact CD2-CG2 4.25Å; L200-T235 PolarHBondContact O-OG1 2.83Å
201	K	94.6	Very high	92.8	Very high	17 Å²	17	44.9 Å²	44.9	7%	0.074	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-26.5	173.2	-56.4	-177.8	176.7	179.2	0	113.1	V153 Y163 D196 G198 R199 L219 V221 S237	V153-K201 WeakPolarHBondContact CG2-O 3.34Å; Y163-K201 HydrophobicContact CE1-CD 4.39Å; Y163-K201 WeakPolarHBondContact OH-CD 3.05Å; Y163-K201 PolarHBondContact OH-NZ 2.64Å; D196-K201 IonicContact OD1-NZ 3.94Å; D196-K201 PolarHBondContact OD1-NZ 3.37Å; D196-K201 IonicContact OD2-NZ 2.68Å; D196-K201 PolarHBondContact OD2-NZ 3.35Å; G198-K201 CarbonylContact O-C 3.59Å; G198-K201 WeakPolarHBondContact O-CA 3.22Å; G198-K201 WeakPolarHBondContact O-CB 3.48Å; G198-K201 PolarHBondContact O-N 3.48Å; R199-K201 PolarHBondContact O-N 3.13Å; K201-L219 HydrophobicContact CB-CD2 4.06Å; K201-L219 HydrophobicContact CD-CD2 4.41Å; K201-L219 HydrophobicContact CG-CD2 4.24Å; K201-V221 WeakPolarHBondContact O-CG1 3.36Å; K201-S237 WeakPolarHBondContact CE-OG 3.25Å
202	C	95	Very high	92.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.25	C	S	.	.	S	Bend	trans	-144.3	143.1	-173.4	-177.4	0	0	0	0	108.1	V153 C165 G166 P172 G198	V153-C202 HydrophobicContact CG2-CB 4.25Å; C165-C202 HydrophobicContact CB-CB 3.73Å; G166-C202 PolarHBondContact O-SG 3.39Å; G166-C202 VanDerWaalsContact O-SG 3.36Å; P172-C202 HydrophobicContact CB-CB 4.03Å; G198-C202 PolarHBondContact O-N 3.21Å
203	P	95	Very high	93.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.224	C	C	.	.			trans	-66.1	158	176.2	28.4	-36	0	0	0	112.3	R152 P172 Q208 F210 T223	R152-P203 HydrophobicContact CG-CG 4.16Å; P172-P203 WeakPolarHBondContact CG-O 3.45Å; P203-Q208 HydrophobicContact CB-CB 4.08Å; P203-Q208 HydrophobicContact CB-CG 4.29Å; P203-F210 HydrophobicContact CB-CB 4.48Å; P203-F210 HydrophobicContact CG-CB 4.23Å; P203-F210 HydrophobicContact CG-CD1 3.85Å; P203-F210 HydrophobicContact CG-CG 3.96Å; P203-T223 WeakPolarHBondContact CA-OG1 3.31Å
204	F	93.9	Very high	93.5	Very high	18 Å²	18	35 Å²	35	8%	0.079	19%	0.194	C	C	.	.	S	Bend	trans	-76.7	-43.1	173	-71.9	-96.9	0	0	0	111.5	F170 P172 R199 D226	F170-F204 HydrophobicContact CD1-CB 3.93Å; F170-F204 HydrophobicContact CE1-CB 4.42Å; F170-F204 WeakPolarHBondContact O-CD1 3.08Å; P172-F204 HydrophobicContact CG-CD1 3.98Å; P172-F204 HydrophobicContact CG-CD2 4.49Å; P172-F204 HydrophobicContact CG-CE1 4.31Å; P172-F204 HydrophobicContact CG-CG 4.08Å; R199-F204 HydrophobicContact CG-CE2 4.35Å; R199-F204 HydrophobicContact CG-CZ 3.97Å; F204-D226 WeakPolarHBondContact CD2-O 3.38Å
205	D	92.1	Very high	93.6	Very high	32 Å²	32	33.7 Å²	33.7	17%	0.171	19%	0.187	C	C	.	.	S	Bend	trans	-94.3	130.5	-178.5	-171.3	-54.2	0	0	0	110.6	K141 F170 L207 Q208	K141-D205 IonicContact NZ-OD2 2.65Å; K141-D205 PolarHBondContact NZ-OD2 3.19Å; K141-D205 VanDerWaalsContact NZ-OD2 3.07Å; F170-D205 HydrophobicContact CE1-CB 3.66Å; F170-D205 VanDerWaalsContact CZ-CA 3.45Å; F170-D205 HydrophobicContact CZ-CB 3.55Å; F170-D205 WeakPolarHBondContact CZ-OD2 3.37Å; D205-L207 PolarHBondContact O-N 2.77Å; D205-L207 WeakPolarHBondContact OD1-CB 3.33Å; D205-L207 PolarHBondContact OD1-N 3.24Å; D205-Q208 HydrophobicContact CB-CB 4.05Å; D205-Q208 WeakPolarHBondContact O-CB 3.28Å; D205-Q208 PolarHBondContact O-N 2.94Å
206	P	91.2	Very high	93.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-21.7	-177	28.1	-35.7	0	0	0	114.1	F150 R152 T167	F150-P206 HydrophobicContact CB-CB 3.81Å; F150-P206 HydrophobicContact CD1-CB 4.33Å; F150-P206 HydrophobicContact CD2-CB 3.44Å; F150-P206 VanDerWaalsContact CD2-CB 3.44Å; F150-P206 HydrophobicContact CD2-CG 3.69Å; F150-P206 HydrophobicContact CE2-CB 4.03Å; F150-P206 HydrophobicContact CE2-CG 3.81Å; F150-P206 HydrophobicContact CG-CB 3.6Å; F150-P206 HydrophobicContact CG-CG 4.31Å; R152-P206 PolarHBondContact NE-O 3.47Å; R152-P206 PolarHBondContact NH2-O 3.03Å; T167-P206 HydrophobicContact CG2-CB 4.13Å
207	L	88.7	Confident	93.5	Very high	99 Å²	99	36.6 Å²	36.6	52%	0.518	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-8.1	179.1	-56.8	-179.3	0	0	0	112.7	D205	D205-L207 PolarHBondContact O-N 2.77Å; D205-L207 WeakPolarHBondContact OD1-CB 3.33Å; D205-L207 PolarHBondContact OD1-N 3.24Å
208	Q	89.7	Confident	93.5	Very high	13 Å²	13	35.2 Å²	35.2	6%	0.061	18%	0.175	C	C	.	.	S	Bend	trans	-70.8	129.7	-178	-176	177.2	6.3	0	0	111.8	R152 P203 D205 S224	R152-Q208 PolarHBondContact NH2-O 3.32Å; P203-Q208 HydrophobicContact CB-CB 4.08Å; P203-Q208 HydrophobicContact CB-CG 4.29Å; D205-Q208 HydrophobicContact CB-CB 4.05Å; D205-Q208 WeakPolarHBondContact O-CB 3.28Å; D205-Q208 PolarHBondContact O-N 2.94Å; Q208-S224 PolarHBondContact NE2-OG 2.99Å; Q208-S224 PolarHBondContact OE1-OG 3.18Å
209	P	89.9	Confident	93.7	Very high	48 Å²	48	35.2 Å²	35.2	31%	0.312	18%	0.175	S	C	.	.			trans	-63.8	134.2	168.1	-21.8	33.7	0	0	0	111.4	R261 F262	P209-R261 HydrophobicContact CB-CB 4.21Å; P209-R261 HydrophobicContact CG-CB 4.35Å; P209-F262 CarbonylContact C-O 3.59Å; P209-F262 WeakPolarHBondContact CB-O 3.34Å
210	F	94.3	Very high	93.9	Very high	27 Å²	27	28.6 Å²	28.6	12%	0.118	15%	0.15	C	C	.	.			trans	-150.7	156.2	177.2	83.7	-70.8	0	0	0	107.6	R152 V153 P203 G222 F262	R152-F210 HydrophobicContact CB-CE1 3.84Å; R152-F210 HydrophobicContact CB-CZ 3.84Å; R152-F210 VanDerWaalsContact O-CZ 3.32Å; R152-F210 WeakPolarHBondContact O-CZ 3.42Å; V153-F210 HydrophobicContact CG2-CE2 3.92Å; V153-F210 HydrophobicContact CG2-CZ 4.39Å; P203-F210 HydrophobicContact CB-CB 4.48Å; P203-F210 HydrophobicContact CG-CB 4.23Å; P203-F210 HydrophobicContact CG-CD1 3.85Å; P203-F210 HydrophobicContact CG-CG 3.96Å; F210-G222 WeakPolarHBondContact CA-O 3.49Å; F210-G222 WeakPolarHBondContact CB-O 3.25Å; F210-F262 PolarHBondContact N-O 3.11Å
211	A	96.7	Very high	94.1	Very high	4 Å²	4	27 Å²	27	3%	0.033	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	143	172.5	0	0	0	0	0	109.9	V221 G222 F262 A265	A211-V221 CarbonylContact O-C 3.59Å; A211-V221 WeakPolarHBondContact O-CA 3.45Å; A211-V221 WeakPolarHBondContact O-CG1 3.28Å; A211-G222 PolarHBondContact N-O 2.77Å; A211-G222 PolarHBondContact O-N 3.16Å; A211-F262 HydrophobicContact CB-CB 3.83Å; A211-A265 HydrophobicContact CB-CB 4.17Å
212	S	97.1	Very high	94.2	Very high	23 Å²	23	26.2 Å²	26.2	16%	0.161	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	143.4	173	69.2	0	0	0	0	112.1	H155 Y220	H155-S212 PolarHBondContact CE1-O 2.86Å; H155-S212 PolarHBondContact NE2-O 2.81Å; H155-S212 PolarHBondContact NE2-OG 2.73Å; S212-Y220 CarbonylContact C-O 3.6Å; S212-Y220 VanDerWaalsContact CA-O 3.26Å; S212-Y220 WeakPolarHBondContact CA-O 3.5Å
213	V	97.1	Very high	94.3	Very high	18 Å²	18	26.2 Å²	26.2	11%	0.109	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	140.5	171.5	70	0	0	0	0	111	Y220 A265 I279	V213-Y220 PolarHBondContact N-O 2.97Å; V213-Y220 PolarHBondContact O-N 3.42Å; V213-A265 HydrophobicContact CB-CB 4.21Å; V213-A265 WeakPolarHBondContact CB-O 3Å; V213-A265 HydrophobicContact CG1-CB 3.78Å; V213-I279 HydrophobicContact CG1-CG2 4.03Å
214	L	96.1	Very high	94.1	Very high	27 Å²	27	26.2 Å²	26.2	14%	0.141	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	128.3	174.4	-166.7	81.3	0	0	0	110	H155 N156 Y157 Y218 L219 L238	H155-L214 HydrophobicContact CB-CB 3.67Å; H155-L214 HydrophobicContact CB-CD2 4.08Å; H155-L214 HydrophobicContact CB-CG 4.42Å; N156-L214 WeakPolarHBondContact O-CD2 3.41Å; Y157-L214 HydrophobicContact CD2-CD1 4.43Å; Y157-L214 HydrophobicContact CD2-CD2 3.91Å; Y157-L214 HydrophobicContact CG-CD2 4.36Å; L214-Y218 WeakPolarHBondContact CA-O 3.09Å; L214-Y218 WeakPolarHBondContact CD1-O 2.81Å; L214-L219 HydrophobicContact CB-CD1 4.28Å; L214-L219 HydrophobicContact CD1-CB 3.89Å; L214-L219 HydrophobicContact CD1-CD1 3.92Å; L214-L238 HydrophobicContact CD1-CD2 3.91Å
215	S	94.8	Very high	93.8	Very high	13 Å²	13	26.1 Å²	26.1	9%	0.091	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	130.2	175.8	-172	0	0	0	0	109.5	Q217 Y218 K304	S215-Q217 PolarHBondContact O-N 3.37Å; S215-Y218 PolarHBondContact N-O 3.09Å; S215-Y218 WeakPolarHBondContact O-CB 3.38Å; S215-Y218 PolarHBondContact O-N 3.47Å; S215-Y218 VanDerWaalsContact O-O 3.14Å; S215-K304 WeakPolarHBondContact OG-CE 3.42Å
216	D	91.3	Very high	93.4	Very high	104 Å²	104	25.9 Å²	25.9	56%	0.556	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.6	41.6	-176.3	-60.3	19.1	0	0	0	113.7	Y218 K304	D216-Y218 HydrophobicContact CB-CD2 4.33Å; D216-Y218 WeakPolarHBondContact O-CD2 3.38Å; D216-Y218 PolarHBondContact O-N 2.96Å; D216-K304 WeakPolarHBondContact OD1-CE 3.31Å; D216-K304 IonicContact OD1-NZ 3.68Å; D216-K304 PolarHBondContact OD1-NZ 3.5Å; D216-K304 WeakPolarHBondContact OD2-CE 3.31Å; D216-K304 IonicContact OD2-NZ 2.74Å; D216-K304 PolarHBondContact OD2-NZ 2.85Å
217	Q	92.4	Very high	93.2	Very high	80 Å²	80	29.8 Å²	29.8	37%	0.374	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	-0.5	-175.6	-58.4	172.6	39.5	0	0	115.7	Y157 S215 G239	Y157-Q217 HydrophobicContact CD2-CB 4.43Å; Y157-Q217 HydrophobicContact CD2-CG 4.48Å; Y157-Q217 HydrophobicContact CE1-CG 4Å; Y157-Q217 HydrophobicContact CE2-CB 3.64Å; Y157-Q217 HydrophobicContact CE2-CG 3.93Å; Y157-Q217 PolarHBondContact OH-OE1 3.09Å; S215-Q217 PolarHBondContact O-N 3.37Å; Q217-G239 PolarHBondContact O-N 3.41Å
218	Y	94.9	Very high	93.1	Very high	44 Å²	44	32.3 Å²	32.3	17%	0.173	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	135.8	169.4	-61.2	-84	0	0	0	111.1	L214 S215 D216 R236 D243	L214-Y218 WeakPolarHBondContact CA-O 3.09Å; L214-Y218 WeakPolarHBondContact CD1-O 2.81Å; S215-Y218 PolarHBondContact N-O 3.09Å; S215-Y218 WeakPolarHBondContact O-CB 3.38Å; S215-Y218 PolarHBondContact O-N 3.47Å; S215-Y218 VanDerWaalsContact O-O 3.14Å; D216-Y218 HydrophobicContact CB-CD2 4.33Å; D216-Y218 WeakPolarHBondContact O-CD2 3.38Å; D216-Y218 PolarHBondContact O-N 2.96Å; Y218-R236 HydrophobicContact CD1-CG 4.26Å; Y218-R236 HydrophobicContact CG-CG 4.42Å; Y218-D243 WeakPolarHBondContact CE1-O 3.18Å; Y218-D243 PolarHBondContact OH-O 3.37Å
219	L	96.2	Very high	92.7	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	116.5	176.9	-172.5	77.4	0	0	0	109.9	Y163 K201 L214 V221 R236 S237 L238	Y163-L219 HydrophobicContact CD1-CD2 4.28Å; Y163-L219 HydrophobicContact CE1-CD2 3.89Å; K201-L219 HydrophobicContact CB-CD2 4.06Å; K201-L219 HydrophobicContact CD-CD2 4.41Å; K201-L219 HydrophobicContact CG-CD2 4.24Å; L214-L219 HydrophobicContact CB-CD1 4.28Å; L214-L219 HydrophobicContact CD1-CB 3.89Å; L214-L219 HydrophobicContact CD1-CD1 3.92Å; L219-V221 HydrophobicContact CD1-CG2 4.46Å; L219-V221 HydrophobicContact CD2-CG2 3.61Å; L219-V221 HydrophobicContact CG-CG2 3.61Å; L219-R236 WeakPolarHBondContact O-CA 3.4Å; L219-S237 PolarHBondContact N-O 2.95Å; L219-S237 PolarHBondContact O-N 3.21Å; L219-L238 HydrophobicContact CB-CB 4.02Å; L219-L238 HydrophobicContact CB-CD2 4.35Å
220	Y	97.8	Very high	92.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	127.4	174.4	-62.3	-100.4	0	0	0	108.9	S212 V213 F234 T235 R236 I279 K304 W317	S212-Y220 CarbonylContact C-O 3.6Å; S212-Y220 VanDerWaalsContact CA-O 3.26Å; S212-Y220 WeakPolarHBondContact CA-O 3.5Å; V213-Y220 PolarHBondContact N-O 2.97Å; V213-Y220 PolarHBondContact O-N 3.42Å; Y220-F234 HydrophobicContact CD1-CE1 4.43Å; Y220-F234 HydrophobicContact CD1-CZ 4.04Å; Y220-F234 HydrophobicContact CG-CZ 4.49Å; Y220-T235 CarbonylContact C-O 3.58Å; Y220-T235 VanDerWaalsContact CA-O 3.29Å; Y220-T235 WeakPolarHBondContact CA-O 3.18Å; Y220-R236 HydrophobicContact CD1-CB 3.99Å; Y220-R236 HydrophobicContact CD1-CG 4.06Å; Y220-R236 HydrophobicContact CE1-CB 4.04Å; Y220-R236 VanDerWaalsContact CE1-CD 3.48Å; Y220-R236 HydrophobicContact CE1-CG 3.85Å; Y220-R236 HydrophobicContact CE2-CG 4.28Å; Y220-R236 HydrophobicContact CG-CG 4.4Å; Y220-R236 VanDerWaalsContact OH-CD 3.31Å; Y220-R236 WeakPolarHBondContact OH-CD 3.43Å; Y220-I279 HydrophobicContact CD1-CB 4.18Å; Y220-I279 HydrophobicContact CD1-CG1 3.67Å; Y220-I279 HydrophobicContact CD1-CG2 4.28Å; Y220-I279 HydrophobicContact CD2-CD1 4.28Å; Y220-I279 HydrophobicContact CD2-CG1 3.98Å; Y220-I279 HydrophobicContact CE1-CB 4.35Å; Y220-I279 HydrophobicContact CE1-CG1 3.5Å; Y220-I279 HydrophobicContact CE2-CD1 4.1Å; Y220-I279 HydrophobicContact CE2-CG1 3.87Å; Y220-I279 HydrophobicContact CG-CB 4.49Å; Y220-I279 HydrophobicContact CG-CG1 3.9Å; Y220-I279 HydrophobicContact CG-CG2 4.22Å; Y220-K304 PolarHBondContact OH-O 2.97Å; Y220-W317 HydrophobicContact CD1-CH2 4.01Å; Y220-W317 HydrophobicContact CD1-CZ2 4.38Å; Y220-W317 AromaticContact CE1-CH2 3.74Å; Y220-W317 HydrophobicContact CE1-CH2 3.74Å
221	V	97.8	Very high	92.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	128.6	-174	-172.6	0	0	0	0	111.8	K201 A211 L219 T223 F234 T235	K201-V221 WeakPolarHBondContact O-CG1 3.36Å; A211-V221 CarbonylContact O-C 3.59Å; A211-V221 WeakPolarHBondContact O-CA 3.45Å; A211-V221 WeakPolarHBondContact O-CG1 3.28Å; L219-V221 HydrophobicContact CD1-CG2 4.46Å; L219-V221 HydrophobicContact CD2-CG2 3.61Å; L219-V221 HydrophobicContact CG-CG2 3.61Å; V221-T223 HydrophobicContact CG1-CG2 3.79Å; V221-F234 CarbonylContact O-C 3.12Å; V221-F234 WeakPolarHBondContact O-CA 3.21Å; V221-T235 PolarHBondContact N-O 2.65Å; V221-T235 PolarHBondContact O-N 3.41Å; V221-T235 PolarHBondContact O-OG1 3.43Å
222	G	96.9	Very high	91.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	115.5	162.5	0	0	0	0	0	110.3	F210 A211 F262	F210-G222 WeakPolarHBondContact CA-O 3.49Å; F210-G222 WeakPolarHBondContact CB-O 3.25Å; A211-G222 PolarHBondContact N-O 2.77Å; A211-G222 PolarHBondContact O-N 3.16Å; G222-F262 VanDerWaalsContact C-CE2 3.5Å; G222-F262 WeakPolarHBondContact O-CD2 3.39Å
223	T	95.3	Very high	91.8	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	-177	-178.5	-170.6	0	0	0	0	110.8	L200 P203 V221 T233	L200-T223 WeakPolarHBondContact O-CG2 3.18Å; P203-T223 WeakPolarHBondContact CA-OG1 3.31Å; V221-T223 HydrophobicContact CG1-CG2 3.79Å; T223-T233 PolarHBondContact N-O 2.04Å; T223-T233 VanDerWaalsContact N-O 3.17Å; T223-T233 PolarHBondContact O-N 3.27Å
224	S	91.6	Very high	91.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	148.9	168.8	61.9	0	0	0	0	113.4	Q208 D226 D231	Q208-S224 PolarHBondContact NE2-OG 2.99Å; Q208-S224 PolarHBondContact OE1-OG 3.18Å; S224-D226 PolarHBondContact OG-O 2.89Å; S224-D231 CarbonylContact C-O 3.59Å; S224-D231 WeakPolarHBondContact CA-O 3.48Å; S224-D231 VanDerWaalsContact CB-O 3.31Å; S224-D231 WeakPolarHBondContact CB-O 3.41Å
225	S	86.9	Confident	91.7	Very high	16 Å²	16	35.3 Å²	35.3	11%	0.112	18%	0.177	C	C	.	.	S	Bend	trans	-80.5	-15.6	169	32.3	0	0	0	0	113.7	R199 D231	R199-S225 PolarHBondContact NE-O 3.26Å; R199-S225 VanDerWaalsContact NE-O 3.14Å; R199-S225 PolarHBondContact NH2-O 2.84Å; S225-D231 PolarHBondContact N-O 3.41Å; S225-D231 VanDerWaalsContact OG-CB 3.26Å; S225-D231 WeakPolarHBondContact OG-CB 3.37Å; S225-D231 PolarHBondContact OG-O 3.4Å
226	D	85.4	Confident	91.8	Very high	27 Å²	27	35 Å²	35	14%	0.144	17%	0.174	C	C	.	.	S	Bend	trans	-129.3	166.5	-168.1	83.9	-66.1	0	0	0	113.9	F204 S224 L228 G229 K230 D231	F204-D226 WeakPolarHBondContact CD2-O 3.38Å; S224-D226 PolarHBondContact OG-O 2.89Å; D226-L228 VanDerWaalsContact OD2-CA 3.3Å; D226-L228 WeakPolarHBondContact OD2-CA 3.16Å; D226-L228 VanDerWaalsContact OD2-CB 3.23Å; D226-L228 WeakPolarHBondContact OD2-CB 3.48Å; D226-L228 PolarHBondContact OD2-N 2.81Å; D226-G229 PolarHBondContact OD1-N 3.07Å; D226-G229 PolarHBondContact OD2-N 3.37Å; D226-G229 VanDerWaalsContact OD2-N 3.17Å; D226-K230 PolarHBondContact OD1-N 3.06Å; D226-D231 PolarHBondContact OD1-N 2.82Å
227	F	86.3	Confident	91.8	Very high	82 Å²	82	30.6 Å²	30.6	36%	0.36	15%	0.151	S	C	.	.	S	Bend	trans	-73.1	-28.4	-177.6	175.1	-79.9	0	0	0	113.8	A139 K141 F170 G229	A139-F227 HydrophobicContact CB-CZ 4.1Å; K141-F227 HydrophobicContact CG-CZ 4.46Å; F170-F227 HydrophobicContact CB-CD2 3.92Å; F170-F227 HydrophobicContact CB-CE2 3.5Å; F170-F227 HydrophobicContact CB-CZ 4.43Å; F170-F227 AromaticContact CD1-CD2 3.8Å; F170-F227 HydrophobicContact CD1-CD2 3.8Å; F170-F227 HydrophobicContact CD1-CE1 4.43Å; F170-F227 AromaticContact CD1-CE2 3.55Å; F170-F227 HydrophobicContact CD1-CE2 3.55Å; F170-F227 HydrophobicContact CD1-CG 4.36Å; F170-F227 AromaticContact CD1-CZ 3.88Å; F170-F227 HydrophobicContact CD1-CZ 3.88Å; F170-F227 HydrophobicContact CG-CD2 4.31Å; F170-F227 AromaticContact CG-CE2 3.82Å; F170-F227 HydrophobicContact CG-CE2 3.82Å; F170-F227 HydrophobicContact CG-CZ 4.35Å; F227-G229 VanDerWaalsContact C-N 3.31Å
228	L	86.3	Confident	91.6	Very high	151 Å²	151	28.1 Å²	28.1	79%	0.791	14%	0.141	S	C	*	.	S	Bend	trans	-82.8	-12.5	179.2	-54.1	171.6	0	0	0	111.9	D226	D226-L228 VanDerWaalsContact OD2-CA 3.3Å; D226-L228 WeakPolarHBondContact OD2-CA 3.16Å; D226-L228 VanDerWaalsContact OD2-CB 3.23Å; D226-L228 WeakPolarHBondContact OD2-CB 3.48Å; D226-L228 PolarHBondContact OD2-N 2.81Å
229	G	82.6	Confident	91.1	Very high	7 Å²	7	26.1 Å²	26.1	7%	0.072	13%	0.133	C	C	.	.	S	Bend	trans	73.7	27.7	177.5	0	0	0	0	0	113.7	D226 F227	D226-G229 PolarHBondContact OD1-N 3.07Å; D226-G229 PolarHBondContact OD2-N 3.37Å; D226-G229 VanDerWaalsContact OD2-N 3.17Å; F227-G229 VanDerWaalsContact C-N 3.31Å
230	K	82.9	Confident	90.2	Very high	122 Å²	122	28.2 Å²	28.2	53%	0.53	15%	0.147	S	C	.	.			trans	-96.6	-46.4	-178.7	-168	-160.1	172.2	-159.3	0	112.2	D226 T232 E259	D226-K230 PolarHBondContact OD1-N 3.06Å; K230-T232 PolarHBondContact O-N 2.86Å; K230-E259 WeakPolarHBondContact CE-OE1 3.4Å
231	D	87.9	Confident	89	Confident	84 Å²	84	33.2 Å²	33.2	45%	0.449	18%	0.179	S	C	.	.	S	Bend	trans	-86.7	114	-174.3	-64.8	-11.5	0	0	0	108.2	S224 S225 D226	S224-D231 CarbonylContact C-O 3.59Å; S224-D231 WeakPolarHBondContact CA-O 3.48Å; S224-D231 VanDerWaalsContact CB-O 3.31Å; S224-D231 WeakPolarHBondContact CB-O 3.41Å; S225-D231 PolarHBondContact N-O 3.41Å; S225-D231 VanDerWaalsContact OG-CB 3.26Å; S225-D231 WeakPolarHBondContact OG-CB 3.37Å; S225-D231 PolarHBondContact OG-O 3.4Å; D226-D231 PolarHBondContact OD1-N 2.82Å
232	T	92.8	Very high	87.7	Confident	8 Å²	8	38.5 Å²	38.5	5%	0.049	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	132.9	-166.8	53.4	0	0	0	0	112.3	K230 A260	K230-T232 PolarHBondContact O-N 2.86Å; T232-A260 VanDerWaalsContact CG2-O 3.29Å; T232-A260 WeakPolarHBondContact CG2-O 3.2Å; T232-A260 PolarHBondContact OG1-N 2.72Å
233	T	94.3	Very high	86.4	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.012	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	144.5	-173.2	-177.8	0	0	0	0	112.2	L200 T223 T235 T249	L200-T233 HydrophobicContact CD2-CG2 3.39Å; T223-T233 PolarHBondContact N-O 2.04Å; T223-T233 VanDerWaalsContact N-O 3.17Å; T223-T233 PolarHBondContact O-N 3.27Å; T233-T235 HydrophobicContact CG2-CG2 3.84Å; T233-T249 WeakPolarHBondContact CA-OG1 3.3Å; T233-T249 PolarHBondContact OG1-OG1 3.21Å
234	F	96.2	Very high	85.2	Confident	1 Å²	1	47.7 Å²	47.7	0%	0.004	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	127.3	171.2	177.1	-98.8	0	0	0	110	Y220 V221 R248 T249 I257 F262 I279 F281 V302 W317	Y220-F234 HydrophobicContact CD1-CE1 4.43Å; Y220-F234 HydrophobicContact CD1-CZ 4.04Å; Y220-F234 HydrophobicContact CG-CZ 4.49Å; V221-F234 CarbonylContact O-C 3.12Å; V221-F234 WeakPolarHBondContact O-CA 3.21Å; F234-R248 CarbonylContact O-C 3.55Å; F234-R248 WeakPolarHBondContact O-CA 3.23Å; F234-T249 HydrophobicContact CB-CG2 3.99Å; F234-T249 PolarHBondContact N-OG1 2.98Å; F234-T249 PolarHBondContact O-N 2.96Å; F234-I257 HydrophobicContact CB-CD1 4.02Å; F234-F262 HydrophobicContact CB-CE1 4.1Å; F234-F262 HydrophobicContact CB-CZ 4.28Å; F234-I279 HydrophobicContact CZ-CG2 4.14Å; F234-F281 HydrophobicContact CB-CE2 4.02Å; F234-F281 HydrophobicContact CB-CZ 4.23Å; F234-F281 HydrophobicContact CD1-CD1 4.24Å; F234-F281 AromaticContact CD1-CE1 3.67Å; F234-F281 HydrophobicContact CD1-CE1 3.67Å; F234-F281 HydrophobicContact CD1-CE2 4.19Å; F234-F281 AromaticContact CD1-CZ 3.64Å; F234-F281 HydrophobicContact CD1-CZ 3.64Å; F234-F281 HydrophobicContact CD2-CD1 4.12Å; F234-F281 AromaticContact CD2-CD2 3.94Å; F234-F281 HydrophobicContact CD2-CD2 3.94Å; F234-F281 HydrophobicContact CD2-CE1 4.29Å; F234-F281 HydrophobicContact CD2-CE2 4.1Å; F234-F281 AromaticContact CD2-CG 3.96Å; F234-F281 HydrophobicContact CD2-CG 3.96Å; F234-F281 HydrophobicContact CD2-CZ 4.28Å; F234-F281 AromaticContact CE1-CD1 3.9Å; F234-F281 HydrophobicContact CE1-CD1 3.9Å; F234-F281 AromaticContact CE1-CE1 3.55Å; F234-F281 HydrophobicContact CE1-CE1 3.55Å; F234-F281 HydrophobicContact CE1-CZ 4.03Å; F234-F281 HydrophobicContact CE2-CB 4.22Å; F234-F281 AromaticContact CE2-CD1 3.75Å; F234-F281 HydrophobicContact CE2-CD1 3.75Å; F234-F281 HydrophobicContact CE2-CD2 4.31Å; F234-F281 HydrophobicContact CE2-CE1 4.17Å; F234-F281 AromaticContact CE2-CG 3.84Å; F234-F281 HydrophobicContact CE2-CG 3.84Å; F234-F281 HydrophobicContact CG-CD1 4.35Å; F234-F281 HydrophobicContact CG-CD2 4.16Å; F234-F281 HydrophobicContact CG-CE1 4.05Å; F234-F281 AromaticContact CG-CE2 3.82Å; F234-F281 HydrophobicContact CG-CE2 3.82Å; F234-F281 HydrophobicContact CG-CG 4.42Å; F234-F281 AromaticContact CG-CZ 3.78Å; F234-F281 HydrophobicContact CG-CZ 3.78Å; F234-F281 AromaticContact CZ-CD1 3.62Å; F234-F281 HydrophobicContact CZ-CD1 3.62Å; F234-F281 AromaticContact CZ-CE1 3.8Å; F234-F281 HydrophobicContact CZ-CE1 3.8Å; F234-F281 HydrophobicContact CZ-CG 4.21Å; F234-F281 HydrophobicContact CZ-CZ 4.49Å; F234-V302 HydrophobicContact CE1-CG1 4.23Å; F234-V302 HydrophobicContact CE1-CG2 3.75Å; F234-V302 HydrophobicContact CZ-CG2 4.37Å; F234-W317 AromaticContact CD1-CE2 3.93Å; F234-W317 HydrophobicContact CD1-CZ2 4.07Å; F234-W317 AromaticContact CD1-NE1 3.55Å; F234-W317 AromaticContact CE1-CE2 3.96Å; F234-W317 HydrophobicContact CE1-CH2 4.49Å; F234-W317 AromaticContact CE1-CZ2 3.72Å; F234-W317 HydrophobicContact CE1-CZ2 3.72Å; F234-W317 PolarHBondContact O-NE1 2.96Å
235	T	95.6	Very high	84.5	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	158.5	-166.8	77	0	0	0	0	112.5	L200 Y220 V221 T233 Y246 I247 R248	L200-T235 HydrophobicContact CB-CG2 4.45Å; L200-T235 HydrophobicContact CD2-CG2 4.25Å; L200-T235 PolarHBondContact O-OG1 2.83Å; Y220-T235 CarbonylContact C-O 3.58Å; Y220-T235 VanDerWaalsContact CA-O 3.29Å; Y220-T235 WeakPolarHBondContact CA-O 3.18Å; V221-T235 PolarHBondContact N-O 2.65Å; V221-T235 PolarHBondContact O-N 3.41Å; V221-T235 PolarHBondContact O-OG1 3.43Å; T233-T235 HydrophobicContact CG2-CG2 3.84Å; T235-Y246 WeakPolarHBondContact CG2-OH 3.3Å; T235-I247 CarbonylContact C-O 3.59Å; T235-I247 WeakPolarHBondContact CA-O 3.18Å; T235-I247 WeakPolarHBondContact CB-O 3.46Å; T235-R248 HydrophobicContact CG2-CB 3.83Å
236	R	96	Very high	84.7	Confident	7 Å²	7	53.8 Å²	53.8	3%	0.026	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	132.1	160.8	-174.7	-177.6	74.7	-150.9	-6	109	Y218 L219 Y220 H245 Y246 I247 K304 D306 W317	Y218-R236 HydrophobicContact CD1-CG 4.26Å; Y218-R236 HydrophobicContact CG-CG 4.42Å; L219-R236 WeakPolarHBondContact O-CA 3.4Å; Y220-R236 HydrophobicContact CD1-CB 3.99Å; Y220-R236 HydrophobicContact CD1-CG 4.06Å; Y220-R236 HydrophobicContact CE1-CB 4.04Å; Y220-R236 VanDerWaalsContact CE1-CD 3.48Å; Y220-R236 HydrophobicContact CE1-CG 3.85Å; Y220-R236 HydrophobicContact CE2-CG 4.28Å; Y220-R236 HydrophobicContact CG-CG 4.4Å; Y220-R236 VanDerWaalsContact OH-CD 3.31Å; Y220-R236 WeakPolarHBondContact OH-CD 3.43Å; R236-H245 PolarHBondContact NH2-O 3.27Å; R236-Y246 WeakPolarHBondContact O-CA 3.33Å; R236-Y246 WeakPolarHBondContact O-CD2 3.45Å; R236-I247 PolarHBondContact N-O 3.33Å; R236-I247 PolarHBondContact O-N 3.35Å; R236-K304 PolarHBondContact NH1-O 3.17Å; R236-D306 VanDerWaalsContact CZ-O 3.26Å; R236-D306 PolarHBondContact NH1-O 2.92Å; R236-D306 PolarHBondContact NH2-O 2.84Å; R236-W317 HydrophobicContact CB-CH2 3.55Å; R236-W317 HydrophobicContact CB-CZ2 3.74Å
237	S	92.7	Very high	85.1	Confident	10 Å²	10	52.5 Å²	52.5	7%	0.07	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	-174.5	175.8	69.6	0	0	0	0	109.7	K201 L219	K201-S237 WeakPolarHBondContact CE-OG 3.25Å; L219-S237 PolarHBondContact N-O 2.95Å; L219-S237 PolarHBondContact O-N 3.21Å
238	L	87.1	Confident	85.5	Confident	29 Å²	29	51.8 Å²	51.8	15%	0.152	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	59.4	-168	-168.4	-151.5	61	0	0	0	110.8	Y157 Y163 F176 L214 L219	Y157-L238 HydrophobicContact CD2-CD2 3.89Å; Y157-L238 HydrophobicContact CE2-CD2 3.69Å; Y157-L238 HydrophobicContact CE2-CG 4.14Å; Y163-L238 HydrophobicContact CD1-CD2 4.02Å; Y163-L238 HydrophobicContact CD2-CD2 4.22Å; Y163-L238 HydrophobicContact CE1-CD2 4.13Å; Y163-L238 HydrophobicContact CE2-CD1 4.08Å; Y163-L238 HydrophobicContact CE2-CD2 4.33Å; Y163-L238 HydrophobicContact CG-CD2 4.05Å; F176-L238 HydrophobicContact CZ-CD1 4.37Å; L214-L238 HydrophobicContact CD1-CD2 3.91Å; L219-L238 HydrophobicContact CB-CB 4.02Å; L219-L238 HydrophobicContact CB-CD2 4.35Å
239	G	83.8	Confident	85.9	Confident	2 Å²	2	44.6 Å²	44.6	2%	0.021	23%	0.233	C	C	.	.			trans	119.4	156	-177.6	0	0	0	0	0	113.7	Q217 Q244	Q217-G239 PolarHBondContact O-N 3.41Å; G239-Q244 WeakPolarHBondContact O-CG 3.27Å; G239-Q244 PolarHBondContact O-NE2 2.95Å
240	P	78.8	Confident	86.2	Confident	43 Å²	43	44.4 Å²	44.4	28%	0.279	23%	0.231	S	C	.	.	S	Bend	trans	-69.5	139.7	178.5	30.1	-34.4	0	0	0	111	D243	P240-D243 PolarHBondContact O-N 3.02Å
241	P	72.7	Confident	86.2	Confident	106 Å²	106	42.5 Å²	42.5	69%	0.688	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	140	167.1	-21.3	33.2	0	0	0	110.9
242	P	70.6	Confident	85.7	Confident	110 Å²	110	42.1 Å²	42.1	71%	0.714	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	cis	-88.5	-9.6	6.9	35.9	-35.9	0	0	0	114.9	Q244	P242-Q244 PolarHBondContact O-N 3.15Å
243	D	67.8	Low	85	Confident	78 Å²	78	43.5 Å²	43.5	42%	0.417	24%	0.235	S	C	.	.			trans	-81.9	40.3	-162	-59.4	-46.3	0	0	0	114.4	Y218 P240 H245	Y218-D243 WeakPolarHBondContact CE1-O 3.18Å; Y218-D243 PolarHBondContact OH-O 3.37Å; P240-D243 PolarHBondContact O-N 3.02Å; D243-H245 PolarHBondContact O-N 3.16Å
244	Q	70.6	Confident	84.2	Confident	116 Å²	116	48.9 Å²	48.9	54%	0.542	26%	0.263	S	S	.	.			trans	-75.7	56.1	179.8	-66.4	-171.6	-23	0	0	112.4	G239 P242 Y246	G239-Q244 WeakPolarHBondContact O-CG 3.27Å; G239-Q244 PolarHBondContact O-NE2 2.95Å; P242-Q244 PolarHBondContact O-N 3.15Å; Q244-Y246 PolarHBondContact O-N 3.12Å; Q244-Y246 VanDerWaalsContact O-N 3.1Å
245	H	77.8	Confident	83.5	Confident	67 Å²	67	51.3 Å²	51.3	31%	0.31	27%	0.273	S	S	.	.			trans	-77.6	92.4	179.4	-68.2	-14.7	0	0	0	111.1	R236 D243	R236-H245 PolarHBondContact NH2-O 3.27Å; D243-H245 PolarHBondContact O-N 3.16Å
246	Y	90.3	Very high	83.3	Confident	77 Å²	77	51.3 Å²	51.3	30%	0.302	27%	0.273	S	S	.	.			trans	-63.4	127.6	167.7	178.4	-90.6	0	0	0	111.1	T235 R236 Q244 R248	T235-Y246 WeakPolarHBondContact CG2-OH 3.3Å; R236-Y246 WeakPolarHBondContact O-CA 3.33Å; R236-Y246 WeakPolarHBondContact O-CD2 3.45Å; Q244-Y246 PolarHBondContact O-N 3.12Å; Q244-Y246 VanDerWaalsContact O-N 3.1Å; Y246-R248 HydrophobicContact CE1-CB 4.18Å; Y246-R248 HydrophobicContact CE1-CG 4.07Å
247	I	94.3	Very high	83.2	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	148.3	179.5	-57.8	-175.9	0	0	0	109.9	T235 R236 D306 N315 K316 W317	T235-I247 CarbonylContact C-O 3.59Å; T235-I247 WeakPolarHBondContact CA-O 3.18Å; T235-I247 WeakPolarHBondContact CB-O 3.46Å; R236-I247 PolarHBondContact N-O 3.33Å; R236-I247 PolarHBondContact O-N 3.35Å; I247-D306 VanDerWaalsContact CD1-O 3.29Å; I247-D306 WeakPolarHBondContact CD1-O 3.47Å; I247-N315 WeakPolarHBondContact CA-O 3.47Å; I247-K316 VanDerWaalsContact CG2-C 3.46Å; I247-W317 HydrophobicContact CB-CD2 4.45Å; I247-W317 HydrophobicContact CB-CH2 4.38Å; I247-W317 HydrophobicContact CB-CZ2 4.3Å; I247-W317 HydrophobicContact CD1-CZ3 4.4Å; I247-W317 HydrophobicContact CG2-CB 4.46Å; I247-W317 HydrophobicContact CG2-CD2 3.47Å; I247-W317 VanDerWaalsContact CG2-CD2 3.47Å; I247-W317 HydrophobicContact CG2-CE3 3.73Å; I247-W317 HydrophobicContact CG2-CG 3.83Å; I247-W317 HydrophobicContact CG2-CH2 4.36Å; I247-W317 HydrophobicContact CG2-CZ2 4.15Å; I247-W317 HydrophobicContact CG2-CZ3 4.17Å
248	R	94.3	Very high	83.1	Confident	67 Å²	67	52.4 Å²	52.4	25%	0.253	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	167.8	173	60.7	177.3	-169.9	89	-15.7	113.8	F234 T235 Y246 N315 K316 W317	F234-R248 CarbonylContact O-C 3.55Å; F234-R248 WeakPolarHBondContact O-CA 3.23Å; T235-R248 HydrophobicContact CG2-CB 3.83Å; Y246-R248 HydrophobicContact CE1-CB 4.18Å; Y246-R248 HydrophobicContact CE1-CG 4.07Å; R248-N315 PolarHBondContact N-O 2.96Å; R248-K316 CarbonylContact O-C 3.5Å; R248-K316 WeakPolarHBondContact O-CA 3.41Å; R248-W317 PolarHBondContact O-N 2.95Å; R248-W317 VanDerWaalsContact O-N 3.09Å
249	T	94.3	Very high	83.3	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.287	C	S	.	.			trans	-64.1	155.6	164.3	49.3	0	0	0	0	111.2	T233 F234 W256 I257 F320	T233-T249 WeakPolarHBondContact CA-OG1 3.3Å; T233-T249 PolarHBondContact OG1-OG1 3.21Å; F234-T249 HydrophobicContact CB-CG2 3.99Å; F234-T249 PolarHBondContact N-OG1 2.98Å; F234-T249 PolarHBondContact O-N 2.96Å; T249-W256 HydrophobicContact CG2-CE3 4.04Å; T249-W256 HydrophobicContact CG2-CZ3 4.38Å; T249-I257 HydrophobicContact CG2-CD1 3.76Å; T249-I257 HydrophobicContact CG2-CG1 4.32Å; T249-F320 HydrophobicContact CG2-CD2 3.67Å; T249-F320 HydrophobicContact CG2-CE2 3.52Å; T249-F320 HydrophobicContact CG2-CG 4.46Å; T249-F320 HydrophobicContact CG2-CZ 4.23Å
250	D	88.8	Confident	83.9	Confident	4 Å²	4	54.3 Å²	54.3	2%	0.021	29%	0.287	C	S	.	.			trans	-64.8	149.1	164.4	-142	-26.4	0	0	0	110.6	S252 W256 K316	D250-S252 PolarHBondContact OD1-N 3.25Å; D250-S252 PolarHBondContact OD1-OG 3.25Å; D250-S252 VanDerWaalsContact OD1-OG 3.09Å; D250-W256 HydrophobicContact CB-CD2 3.8Å; D250-W256 HydrophobicContact CB-CE3 4.16Å; D250-W256 HydrophobicContact CB-CG 4.2Å; D250-W256 HydrophobicContact CB-CH2 4.34Å; D250-W256 HydrophobicContact CB-CZ2 4.02Å; D250-W256 HydrophobicContact CB-CZ3 4.42Å; D250-K316 HydrophobicContact CB-CD 4.01Å; D250-K316 IonicContact OD1-NZ 3.77Å; D250-K316 PolarHBondContact OD1-NZ 3.45Å; D250-K316 VanDerWaalsContact OD2-CD 3.27Å; D250-K316 WeakPolarHBondContact OD2-CD 3.32Å; D250-K316 IonicContact OD2-NZ 2.72Å; D250-K316 PolarHBondContact OD2-NZ 2.91Å
251	I	83.4	Confident	84.7	Confident	82 Å²	82	56.9 Å²	56.9	42%	0.421	29%	0.291	S	S	.	.	S	Bend	trans	-129.6	2.3	178.4	69.3	-178.8	0	0	0	111.9	E253	I251-E253 VanDerWaalsContact C-N 3.26Å
252	S	76.9	Confident	85.8	Confident	75 Å²	75	52 Å²	52	52%	0.524	26%	0.258	S	S	.	.	S	Bend	trans	-88.3	6.2	170.8	57.5	0	0	0	0	112.9	D250	D250-S252 PolarHBondContact OD1-N 3.25Å; D250-S252 PolarHBondContact OD1-OG 3.25Å; D250-S252 VanDerWaalsContact OD1-OG 3.09Å
253	E	78.2	Confident	87.1	Confident	37 Å²	37	48 Å²	48	17%	0.173	23%	0.231	C	C	.	.			trans	-144.8	91.3	-165.8	-55.2	-65.9	179	0	0	109.5	I251 Y255 W256 R439	I251-E253 VanDerWaalsContact C-N 3.26Å; E253-Y255 HydrophobicContact CB-CD1 4.32Å; E253-Y255 HydrophobicContact CB-CE1 3.7Å; E253-Y255 HydrophobicContact CB-CE2 4.3Å; E253-Y255 HydrophobicContact CG-CE1 4.33Å; E253-Y255 PolarHBondContact O-N 3.22Å; E253-Y255 WeakPolarHBondContact OE2-CE1 3.47Å; E253-Y255 PolarHBondContact OE2-OH 3.31Å; E253-W256 HydrophobicContact CB-CG 4.46Å; E253-W256 WeakPolarHBondContact O-CB 3.47Å; E253-W256 PolarHBondContact O-N 2.93Å; E253-R439 IonicContact OE1-CZ 2.77Å; E253-R439 IonicContact OE1-NE 2.73Å; E253-R439 PolarHBondContact OE1-NE 3.4Å; E253-R439 IonicContact OE1-NH2 2.84Å; E253-R439 PolarHBondContact OE1-NH2 3.21Å
254	D	77.3	Confident	88.5	Confident	115 Å²	115	44.9 Å²	44.9	62%	0.615	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-28.1	-171.2	-61.4	-13.2	0	0	0	114.2	W256 I257 N258	D254-W256 PolarHBondContact O-N 3.12Å; D254-I257 CarbonylContact O-C 3.27Å; D254-N258 WeakPolarHBondContact O-CB 3.5Å
255	Y	83.4	Confident	89.8	Confident	52 Å²	52	39.7 Å²	39.7	20%	0.204	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-8.3	-179.8	59.2	-93.8	0	0	0	113.7	E253 K322 W400 R439 F440 P442	E253-Y255 HydrophobicContact CB-CD1 4.32Å; E253-Y255 HydrophobicContact CB-CE1 3.7Å; E253-Y255 HydrophobicContact CB-CE2 4.3Å; E253-Y255 HydrophobicContact CG-CE1 4.33Å; E253-Y255 PolarHBondContact O-N 3.22Å; E253-Y255 WeakPolarHBondContact OE2-CE1 3.47Å; E253-Y255 PolarHBondContact OE2-OH 3.31Å; Y255-K322 WeakPolarHBondContact O-CE 3.32Å; Y255-K322 PolarHBondContact O-NZ 3.33Å; Y255-W400 HydrophobicContact CD2-CH2 4.48Å; Y255-W400 HydrophobicContact CG-CH2 4.3Å; Y255-R439 VanDerWaalsContact CE2-O 3.22Å; Y255-R439 WeakPolarHBondContact CE2-O 3.43Å; Y255-R439 PolarHBondContact OH-O 2.94Å; Y255-F440 WeakPolarHBondContact OH-CD1 3.48Å; Y255-P442 HydrophobicContact CD2-CG 3.68Å; Y255-P442 HydrophobicContact CE2-CG 3.99Å
256	W	91.1	Very high	90.7	Very high	1 Å²	1	38.7 Å²	38.7	0%	0.004	19%	0.188	C	C	.	.	S	Bend	trans	-71.5	-64	167.9	-82.4	62.1	0	0	0	112.1	T249 D250 E253 D254 L313 W317 F320 K322 R439 P442	T249-W256 HydrophobicContact CG2-CE3 4.04Å; T249-W256 HydrophobicContact CG2-CZ3 4.38Å; D250-W256 HydrophobicContact CB-CD2 3.8Å; D250-W256 HydrophobicContact CB-CE3 4.16Å; D250-W256 HydrophobicContact CB-CG 4.2Å; D250-W256 HydrophobicContact CB-CH2 4.34Å; D250-W256 HydrophobicContact CB-CZ2 4.02Å; D250-W256 HydrophobicContact CB-CZ3 4.42Å; E253-W256 HydrophobicContact CB-CG 4.46Å; E253-W256 WeakPolarHBondContact O-CB 3.47Å; E253-W256 PolarHBondContact O-N 2.93Å; D254-W256 PolarHBondContact O-N 3.12Å; W256-L313 HydrophobicContact CH2-CD1 4.38Å; W256-L313 HydrophobicContact CH2-CD2 4.35Å; W256-L313 HydrophobicContact CZ2-CD1 4.39Å; W256-L313 HydrophobicContact CZ2-CD2 4.14Å; W256-W317 WeakPolarHBondContact CH2-O 3.31Å; W256-W317 HydrophobicContact CZ3-CB 4.31Å; W256-F320 HydrophobicContact CD2-CD1 4.34Å; W256-F320 HydrophobicContact CD2-CE1 4.49Å; W256-F320 HydrophobicContact CE3-CB 4.45Å; W256-F320 AromaticContact CE3-CD1 3.72Å; W256-F320 HydrophobicContact CE3-CD1 3.72Å; W256-F320 HydrophobicContact CE3-CE1 4.05Å; W256-F320 HydrophobicContact CE3-CG 4.02Å; W256-F320 HydrophobicContact CZ3-CB 3.92Å; W256-F320 HydrophobicContact CZ3-CD1 4.04Å; W256-F320 AromaticContact CZ3-CG 3.98Å; W256-F320 HydrophobicContact CZ3-CG 3.98Å; W256-F320 WeakPolarHBondContact O-CZ 3.35Å; W256-K322 WeakPolarHBondContact O-CE 3.09Å; W256-K322 PolarHBondContact O-NZ 2.82Å; W256-R439 PolarHBondContact NE1-O 3.47Å; W256-P442 HydrophobicContact CG-CG 4.4Å
257	I	92.8	Very high	91	Very high	15 Å²	15	38.2 Å²	38.2	8%	0.077	19%	0.194	C	C	.	.			trans	-148.8	129.1	176.4	-61.7	-170	0	0	0	108	F234 T249 D254 A260 F262 F320	F234-I257 HydrophobicContact CB-CD1 4.02Å; T249-I257 HydrophobicContact CG2-CD1 3.76Å; T249-I257 HydrophobicContact CG2-CG1 4.32Å; D254-I257 CarbonylContact O-C 3.27Å; I257-A260 HydrophobicContact CG2-CB 3.32Å; I257-F262 HydrophobicContact CD1-CE1 4.01Å; I257-F262 HydrophobicContact CD1-CZ 3.86Å; I257-F262 HydrophobicContact CG2-CZ 4.22Å; I257-F320 HydrophobicContact CD1-CE2 4Å; I257-F320 HydrophobicContact CD1-CZ 4.11Å; I257-F320 HydrophobicContact CG1-CE2 4.15Å; I257-F320 HydrophobicContact CG1-CZ 3.74Å
258	N	91.6	Very high	91.1	Very high	25 Å²	25	38.6 Å²	38.6	13%	0.134	20%	0.196	C	C	.	.			trans	-129.6	117.4	-176.5	-178.9	27.5	0	0	0	113.4	D254 A260 E285 V286	D254-N258 WeakPolarHBondContact O-CB 3.5Å; N258-A260 PolarHBondContact O-N 2.93Å; N258-A260 VanDerWaalsContact O-N 3.11Å; N258-E285 PolarHBondContact N-OE2 2.62Å; N258-E285 WeakPolarHBondContact O-CB 3.34Å; N258-V286 WeakPolarHBondContact CB-O 3.5Å; N258-V286 WeakPolarHBondContact ND2-CB 3.42Å; N258-V286 VanDerWaalsContact ND2-CG1 3.34Å; N258-V286 WeakPolarHBondContact ND2-CG1 3.48Å; N258-V286 PolarHBondContact ND2-O 2.83Å; N258-V286 PolarHBondContact O-N 3.16Å
259	E	91.9	Very high	91	Very high	69 Å²	69	36.5 Å²	36.5	32%	0.322	19%	0.193	S	C	.	.	S	Bend	trans	48.8	36.4	178.5	-64.1	-178.4	160.1	0	0	113.7	K230 V286 K293	K230-E259 WeakPolarHBondContact CE-OE1 3.4Å; E259-V286 HydrophobicContact CB-CB 4.27Å; E259-V286 HydrophobicContact CB-CG2 3.93Å; E259-V286 WeakPolarHBondContact OE2-CG2 3.37Å; E259-K293 IonicContact OE2-NZ 3.55Å; E259-K293 PolarHBondContact OE2-NZ 2.82Å
260	A	94.4	Very high	90.9	Very high	2 Å²	2	37.9 Å²	37.9	2%	0.017	20%	0.2	C	C	.	.			trans	-76.8	140	-164	0	0	0	0	0	115.8	T232 I257 N258 F262 F283 R284 E285	T232-A260 VanDerWaalsContact CG2-O 3.29Å; T232-A260 WeakPolarHBondContact CG2-O 3.2Å; T232-A260 PolarHBondContact OG1-N 2.72Å; I257-A260 HydrophobicContact CG2-CB 3.32Å; N258-A260 PolarHBondContact O-N 2.93Å; N258-A260 VanDerWaalsContact O-N 3.11Å; A260-F262 HydrophobicContact CB-CE2 4.36Å; A260-F262 HydrophobicContact CB-CZ 4.38Å; A260-F283 HydrophobicContact CB-CD2 3.82Å; A260-F283 HydrophobicContact CB-CE2 4.33Å; A260-R284 CarbonylContact C-O 3.48Å; A260-R284 WeakPolarHBondContact CA-O 3.28Å; A260-E285 HydrophobicContact CB-CB 4.1Å
261	R	95.8	Very high	91	Very high	96 Å²	96	39.9 Å²	39.9	36%	0.362	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	103.1	168.6	-54.6	-54.8	-179.1	-173.7	-4	108.5	P209 F283 R284	P209-R261 HydrophobicContact CB-CB 4.21Å; P209-R261 HydrophobicContact CG-CB 4.35Å; R261-F283 VanDerWaalsContact O-CA 3.3Å; R261-F283 WeakPolarHBondContact O-CA 3.46Å; R261-F283 WeakPolarHBondContact O-CB 3.21Å; R261-R284 HydrophobicContact CB-CG 4.01Å; R261-R284 PolarHBondContact N-O 2.84Å; R261-R284 PolarHBondContact O-N 2.74Å
262	F	97.1	Very high	91.2	Very high	3 Å²	3	45.8 Å²	45.8	1%	0.013	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	139.3	176.8	-59.6	-85.9	0	0	0	110.7	P209 F210 A211 G222 F234 I257 A260 F281 F283	P209-F262 CarbonylContact C-O 3.59Å; P209-F262 WeakPolarHBondContact CB-O 3.34Å; F210-F262 PolarHBondContact N-O 3.11Å; A211-F262 HydrophobicContact CB-CB 3.83Å; G222-F262 VanDerWaalsContact C-CE2 3.5Å; G222-F262 WeakPolarHBondContact O-CD2 3.39Å; F234-F262 HydrophobicContact CB-CE1 4.1Å; F234-F262 HydrophobicContact CB-CZ 4.28Å; I257-F262 HydrophobicContact CD1-CE1 4.01Å; I257-F262 HydrophobicContact CD1-CZ 3.86Å; I257-F262 HydrophobicContact CG2-CZ 4.22Å; A260-F262 HydrophobicContact CB-CE2 4.36Å; A260-F262 HydrophobicContact CB-CZ 4.38Å; F262-F281 HydrophobicContact CD1-CD2 4.46Å; F262-F281 HydrophobicContact CE1-CD2 4.33Å; F262-F281 HydrophobicContact CE1-CE2 4.49Å; F262-F283 HydrophobicContact CD1-CB 3.87Å; F262-F283 HydrophobicContact CD1-CG 4.27Å; F262-F283 HydrophobicContact CE1-CG 4.46Å; F262-F283 HydrophobicContact CG-CB 4.36Å
263	I	97.1	Very high	91.9	Very high	27 Å²	27	43.5 Å²	43.5	14%	0.138	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	-59.6	-171.5	-57.4	-55.6	0	0	0	110.3	F282 L342 Q343 D344 V345	I263-F282 WeakPolarHBondContact CB-O 3.45Å; I263-F282 PolarHBondContact N-O 2.79Å; I263-L342 HydrophobicContact CB-CD2 4.16Å; I263-L342 WeakPolarHBondContact CD1-O 3Å; I263-L342 HydrophobicContact CG1-CD2 3.96Å; I263-L342 HydrophobicContact CG1-CG 4.09Å; I263-L342 HydrophobicContact CG2-CD2 4.37Å; I263-L342 HydrophobicContact CG2-CG 4.38Å; I263-Q343 WeakPolarHBondContact CG2-O 3.4Å; I263-D344 VanDerWaalsContact CG2-CA 3.43Å; I263-V345 HydrophobicContact CG2-CG2 4.38Å
264	S	96.5	Very high	92.6	Very high	13 Å²	13	46.2 Å²	46.2	9%	0.091	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	164.6	178.2	82.6	0	0	0	0	113.1	H266 F281 F282	S264-H266 WeakPolarHBondContact CB-NE2 3Å; S264-H266 PolarHBondContact OG-CD2 2.04Å; S264-H266 PolarHBondContact OG-NE2 2.84Å; S264-F281 WeakPolarHBondContact O-CA 3.33Å; S264-F281 WeakPolarHBondContact O-CB 3.39Å; S264-F282 PolarHBondContact N-O 3.08Å; S264-F282 PolarHBondContact O-N 2.84Å; S264-F282 WeakPolarHBondContact OG-CD2 3.31Å
265	A	97.8	Very high	93.3	Very high	7 Å²	7	43.1 Å²	43.1	6%	0.058	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	137.1	175.3	0	0	0	0	0	110.1	A211 V213 Y280 F281	A211-A265 HydrophobicContact CB-CB 4.17Å; V213-A265 HydrophobicContact CB-CB 4.21Å; V213-A265 WeakPolarHBondContact CB-O 3Å; V213-A265 HydrophobicContact CG1-CB 3.78Å; A265-Y280 CarbonylContact C-O 3.58Å; A265-Y280 WeakPolarHBondContact CA-O 3.32Å; A265-F281 HydrophobicContact CB-CB 3.97Å
266	H	97.4	Very high	93.7	Very high	46 Å²	46	41.2 Å²	41.2	21%	0.213	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	136.7	-173.4	-52.1	-82.8	0	0	0	111.7	S264 I268 Y280 L347	S264-H266 WeakPolarHBondContact CB-NE2 3Å; S264-H266 PolarHBondContact OG-CD2 2.04Å; S264-H266 PolarHBondContact OG-NE2 2.84Å; H266-I268 HydrophobicContact CB-CG1 4.33Å; H266-Y280 PolarHBondContact N-O 2.94Å; H266-Y280 PolarHBondContact O-N 3.02Å; H266-L347 HydrophobicContact CB-CD1 3.57Å
267	P	96.9	Very high	93.9	Very high	66 Å²	66	42.7 Å²	42.7	43%	0.429	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	126.6	164.8	30.2	-33.2	0	0	0	110	K278 I279	P267-K278 WeakPolarHBondContact CA-O 3.31Å; P267-I279 HydrophobicContact CB-CD1 3.7Å
268	I	95.9	Very high	94.1	Very high	8 Å²	8	42.1 Å²	42.1	4%	0.041	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	119.6	172.2	-43.3	175.3	0	0	0	108	H266 K278 Y280 L347 P356 M379	H266-I268 HydrophobicContact CB-CG1 4.33Å; I268-K278 PolarHBondContact N-O 2.92Å; I268-K278 PolarHBondContact O-N 2.92Å; I268-K278 VanDerWaalsContact O-O 3.12Å; I268-Y280 HydrophobicContact CB-CD2 3.74Å; I268-Y280 HydrophobicContact CB-CE2 4.02Å; I268-Y280 HydrophobicContact CD1-CD2 4.01Å; I268-Y280 HydrophobicContact CD1-CG 4.25Å; I268-Y280 HydrophobicContact CG1-CD2 4.03Å; I268-L347 HydrophobicContact CD1-CD1 3.86Å; I268-L347 HydrophobicContact CG1-CD1 4.37Å; I268-P356 HydrophobicContact CD1-CG 4.28Å; I268-M379 HydrophobicContact CD1-CE 3.74Å; I268-M379 HydrophobicContact CD1-CG 4.46Å; I268-M379 HydrophobicContact CD1-SD 3.72Å; I268-M379 HydrophobicContact CG2-CE 4.3Å
269	A	93.1	Very high	94.4	Very high	24 Å²	24	41 Å²	41	20%	0.198	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	138.3	173.4	0	0	0	0	0	110.5	D277 K354 R383	A269-D277 WeakPolarHBondContact CB-OD1 3.38Å; A269-K354 HydrophobicContact CB-CG 4.2Å; A269-K354 WeakPolarHBondContact O-CB 3.02Å; A269-K354 WeakPolarHBondContact O-CG 3.18Å; A269-R383 PolarHBondContact O-NH2 3.12Å
270	D	90.9	Very high	94.7	Very high	29 Å²	29	37.7 Å²	37.7	16%	0.155	19%	0.194	C	C	.	.	S	Bend	trans	-83.9	-32.3	174.9	-79.3	-7.8	0	0	0	112.4	K278 Y280 R301 R383	D270-K278 WeakPolarHBondContact OD2-CD 3.31Å; D270-K278 WeakPolarHBondContact OD2-CE 3.13Å; D270-K278 IonicContact OD2-NZ 3.74Å; D270-K278 PolarHBondContact OD2-NZ 3.14Å; D270-Y280 PolarHBondContact OD1-OH 2.82Å; D270-Y280 PolarHBondContact OD2-OH 2.92Å; D270-R301 IonicContact OD2-CZ 2.91Å; D270-R301 IonicContact OD2-NH1 3.85Å; D270-R301 PolarHBondContact OD2-NH1 2.78Å; D270-R383 IonicContact OD1-CZ 3.65Å; D270-R383 IonicContact OD1-NE 3.19Å; D270-R383 PolarHBondContact OD1-NE 3.48Å; D270-R383 IonicContact OD1-NH2 3.83Å; D270-R383 PolarHBondContact OD1-NH2 3.29Å
271	T	90.8	Very high	94.9	Very high	46 Å²	46	37.6 Å²	37.6	28%	0.282	19%	0.193	S	C	.	.	S	Bend	trans	-132.2	-171.9	-178.8	62.1	0	0	0	0	110.5	N273 D276 K354	T271-N273 VanDerWaalsContact C-N 3.26Å; T271-N273 PolarHBondContact OG1-N 2.91Å; T271-D276 WeakPolarHBondContact CG2-OD2 3.21Å; T271-D276 WeakPolarHBondContact OG1-CB 3.48Å; T271-D276 PolarHBondContact OG1-OD2 2.65Å; T271-K354 WeakPolarHBondContact O-CD 3.37Å
272	Y	89.5	Confident	95	Very high	206 Å²	206	33 Å²	33	81%	0.808	18%	0.176	S	C	*	.	S	Bend	trans	-85.9	5.1	172.8	-65.5	-74.8	0	0	0	113.1	K354	Y272-K354 HydrophobicContact CD1-CD 4.48Å; Y272-K354 HydrophobicContact CE1-CD 4.46Å; Y272-K354 PolarHBondContact OH-NZ 2.86Å
273	N	91.4	Very high	95.1	Very high	27 Å²	27	32.9 Å²	32.9	14%	0.144	18%	0.176	C	C	.	.			trans	-97	116.8	-179.9	-179.5	10.2	0	0	0	109.5	T271 D275 D276 S417 T419	T271-N273 VanDerWaalsContact C-N 3.26Å; T271-N273 PolarHBondContact OG1-N 2.91Å; N273-D275 PolarHBondContact O-N 3.22Å; N273-D275 PolarHBondContact OD1-N 3.43Å; N273-D276 HydrophobicContact CB-CB 4.34Å; N273-D276 WeakPolarHBondContact O-CA 3.1Å; N273-D276 WeakPolarHBondContact O-CB 3.36Å; N273-D276 PolarHBondContact O-N 3.47Å; N273-S417 PolarHBondContact ND2-OG 3.21Å; N273-T419 PolarHBondContact ND2-OG1 2.8Å
274	P	92.1	Very high	95.1	Very high	93 Å²	93	33.1 Å²	33.1	60%	0.604	18%	0.175	S	C	*	.	G	3₁₀ helix	trans	-67.6	-17.5	-177.5	27.9	-35.6	0	0	0	113.7	D276 D277	P274-D276 PolarHBondContact O-N 2.86Å; P274-D277 WeakPolarHBondContact O-CB 3.49Å; P274-D277 PolarHBondContact O-N 2.89Å
275	D	92.1	Very high	95	Very high	50 Å²	50	32.7 Å²	32.7	27%	0.267	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-64.2	-14.9	168.5	-72.4	-14	0	0	0	112.5	N273 N305 C415 S417	N273-D275 PolarHBondContact O-N 3.22Å; N273-D275 PolarHBondContact OD1-N 3.43Å; D275-N305 PolarHBondContact O-ND2 3.21Å; D275-N305 PolarHBondContact O-OD1 3.28Å; D275-C415 WeakPolarHBondContact O-CB 3.22Å; D275-S417 VanDerWaalsContact CB-CB 3.44Å; D275-S417 VanDerWaalsContact CB-OG 3.29Å; D275-S417 WeakPolarHBondContact CB-OG 3.37Å; D275-S417 WeakPolarHBondContact OD2-CA 3.5Å; D275-S417 VanDerWaalsContact OD2-CB 3.29Å; D275-S417 WeakPolarHBondContact OD2-CB 3.32Å; D275-S417 PolarHBondContact OD2-OG 2.75Å
276	D	92.2	Very high	94.8	Very high	13 Å²	13	33 Å²	33	7%	0.07	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-112.6	9.4	-174.8	-166.4	35.1	0	0	0	112.3	T271 N273 P274 K278 Y420	T271-D276 WeakPolarHBondContact CG2-OD2 3.21Å; T271-D276 WeakPolarHBondContact OG1-CB 3.48Å; T271-D276 PolarHBondContact OG1-OD2 2.65Å; N273-D276 HydrophobicContact CB-CB 4.34Å; N273-D276 WeakPolarHBondContact O-CA 3.1Å; N273-D276 WeakPolarHBondContact O-CB 3.36Å; N273-D276 PolarHBondContact O-N 3.47Å; P274-D276 PolarHBondContact O-N 2.86Å; D276-K278 PolarHBondContact O-NZ 3.18Å; D276-K278 IonicContact OD1-NZ 2.65Å; D276-K278 PolarHBondContact OD1-NZ 2.84Å; D276-K278 IonicContact OD2-NZ 3.18Å; D276-Y420 HydrophobicContact CB-CE2 4.32Å; D276-Y420 PolarHBondContact OD2-OH 3.02Å
277	D	94.9	Very high	94.5	Very high	31 Å²	31	31 Å²	31	17%	0.166	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	136.8	167.2	-87.2	11.6	0	0	0	110.8	A269 P274 K304	A269-D277 WeakPolarHBondContact CB-OD1 3.38Å; P274-D277 WeakPolarHBondContact O-CB 3.49Å; P274-D277 PolarHBondContact O-N 2.89Å; D277-K304 HydrophobicContact CB-CB 3.76Å; D277-K304 HydrophobicContact CB-CD 3.45Å; D277-K304 VanDerWaalsContact CB-CD 3.45Å; D277-K304 HydrophobicContact CB-CG 4.3Å; D277-K304 WeakPolarHBondContact O-CB 3.39Å; D277-K304 PolarHBondContact O-N 3.39Å; D277-K304 WeakPolarHBondContact OD2-CD 3.4Å; D277-K304 IonicContact OD2-NZ 2.74Å; D277-K304 PolarHBondContact OD2-NZ 3.13Å
278	K	97.1	Very high	93.9	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.017	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	149.5	178.4	-63.5	-179	-168.8	66.3	0	111.9	P267 I268 D270 D276 Y280 R301 V302 C415	P267-K278 WeakPolarHBondContact CA-O 3.31Å; I268-K278 PolarHBondContact N-O 2.92Å; I268-K278 PolarHBondContact O-N 2.92Å; I268-K278 VanDerWaalsContact O-O 3.12Å; D270-K278 WeakPolarHBondContact OD2-CD 3.31Å; D270-K278 WeakPolarHBondContact OD2-CE 3.13Å; D270-K278 IonicContact OD2-NZ 3.74Å; D270-K278 PolarHBondContact OD2-NZ 3.14Å; D276-K278 PolarHBondContact O-NZ 3.18Å; D276-K278 IonicContact OD1-NZ 2.65Å; D276-K278 PolarHBondContact OD1-NZ 2.84Å; D276-K278 IonicContact OD2-NZ 3.18Å; K278-Y280 HydrophobicContact CB-CD2 4.17Å; K278-Y280 HydrophobicContact CB-CE2 3.8Å; K278-R301 HydrophobicContact CD-CG 4.35Å; K278-V302 CarbonylContact C-O 3.48Å; K278-V302 WeakPolarHBondContact CA-O 3.24Å; K278-V302 VanDerWaalsContact CB-O 3.32Å; K278-V302 WeakPolarHBondContact CB-O 3.32Å; K278-C415 WeakPolarHBondContact CE-SG 3.18Å
279	I	98.3	Very high	93.1	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	115.4	164.7	-53.2	-52.9	0	0	0	107.1	V213 Y220 F234 P267 R301 V302	V213-I279 HydrophobicContact CG1-CG2 4.03Å; Y220-I279 HydrophobicContact CD1-CB 4.18Å; Y220-I279 HydrophobicContact CD1-CG1 3.67Å; Y220-I279 HydrophobicContact CD1-CG2 4.28Å; Y220-I279 HydrophobicContact CD2-CD1 4.28Å; Y220-I279 HydrophobicContact CD2-CG1 3.98Å; Y220-I279 HydrophobicContact CE1-CB 4.35Å; Y220-I279 HydrophobicContact CE1-CG1 3.5Å; Y220-I279 HydrophobicContact CE2-CD1 4.1Å; Y220-I279 HydrophobicContact CE2-CG1 3.87Å; Y220-I279 HydrophobicContact CG-CB 4.49Å; Y220-I279 HydrophobicContact CG-CG1 3.9Å; Y220-I279 HydrophobicContact CG-CG2 4.22Å; F234-I279 HydrophobicContact CZ-CG2 4.14Å; P267-I279 HydrophobicContact CB-CD1 3.7Å; I279-R301 VanDerWaalsContact O-CA 3.32Å; I279-R301 WeakPolarHBondContact O-CA 3.22Å; I279-V302 HydrophobicContact CB-CG2 4.14Å; I279-V302 PolarHBondContact N-O 2.82Å; I279-V302 PolarHBondContact O-N 2.54Å; I279-V302 VanDerWaalsContact O-N 3.09Å
280	Y	98.4	Very high	92.3	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	142.2	170.9	-73.7	-95.8	0	0	0	109	A265 H266 I268 D270 K278 V299 A300 R301 M379 I382 F386	A265-Y280 CarbonylContact C-O 3.58Å; A265-Y280 WeakPolarHBondContact CA-O 3.32Å; H266-Y280 PolarHBondContact N-O 2.94Å; H266-Y280 PolarHBondContact O-N 3.02Å; I268-Y280 HydrophobicContact CB-CD2 3.74Å; I268-Y280 HydrophobicContact CB-CE2 4.02Å; I268-Y280 HydrophobicContact CD1-CD2 4.01Å; I268-Y280 HydrophobicContact CD1-CG 4.25Å; I268-Y280 HydrophobicContact CG1-CD2 4.03Å; D270-Y280 PolarHBondContact OD1-OH 2.82Å; D270-Y280 PolarHBondContact OD2-OH 2.92Å; K278-Y280 HydrophobicContact CB-CD2 4.17Å; K278-Y280 HydrophobicContact CB-CE2 3.8Å; Y280-V299 HydrophobicContact CD1-CG2 4.09Å; Y280-A300 CarbonylContact C-O 3.49Å; Y280-A300 VanDerWaalsContact CA-O 3.3Å; Y280-A300 WeakPolarHBondContact CA-O 3.35Å; Y280-R301 HydrophobicContact CD1-CB 3.79Å; Y280-R301 HydrophobicContact CE1-CB 3.76Å; Y280-R301 HydrophobicContact CE1-CG 4.3Å; Y280-R301 HydrophobicContact CG-CB 4.22Å; Y280-R301 PolarHBondContact OH-NH1 3.43Å; Y280-M379 HydrophobicContact CD1-CE 4.08Å; Y280-M379 HydrophobicContact CD2-CE 4.15Å; Y280-M379 HydrophobicContact CE1-CE 3.78Å; Y280-M379 HydrophobicContact CE2-CE 3.85Å; Y280-M379 HydrophobicContact CG-CE 4.26Å; Y280-I382 HydrophobicContact CD1-CG2 4.31Å; Y280-I382 HydrophobicContact CE1-CG2 3.89Å; Y280-F386 HydrophobicContact CD1-CE2 4.3Å; Y280-F386 HydrophobicContact CE1-CD2 4.17Å; Y280-F386 AromaticContact CE1-CE2 3.8Å; Y280-F386 HydrophobicContact CE1-CE2 3.8Å
281	F	97.5	Very high	91.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	146.2	176.4	53.5	-79.1	0	0	0	111.3	F234 F262 S264 A265 F283 A300 V302 F320	F234-F281 HydrophobicContact CB-CE2 4.02Å; F234-F281 HydrophobicContact CB-CZ 4.23Å; F234-F281 HydrophobicContact CD1-CD1 4.24Å; F234-F281 AromaticContact CD1-CE1 3.67Å; F234-F281 HydrophobicContact CD1-CE1 3.67Å; F234-F281 HydrophobicContact CD1-CE2 4.19Å; F234-F281 AromaticContact CD1-CZ 3.64Å; F234-F281 HydrophobicContact CD1-CZ 3.64Å; F234-F281 HydrophobicContact CD2-CD1 4.12Å; F234-F281 AromaticContact CD2-CD2 3.94Å; F234-F281 HydrophobicContact CD2-CD2 3.94Å; F234-F281 HydrophobicContact CD2-CE1 4.29Å; F234-F281 HydrophobicContact CD2-CE2 4.1Å; F234-F281 AromaticContact CD2-CG 3.96Å; F234-F281 HydrophobicContact CD2-CG 3.96Å; F234-F281 HydrophobicContact CD2-CZ 4.28Å; F234-F281 AromaticContact CE1-CD1 3.9Å; F234-F281 HydrophobicContact CE1-CD1 3.9Å; F234-F281 AromaticContact CE1-CE1 3.55Å; F234-F281 HydrophobicContact CE1-CE1 3.55Å; F234-F281 HydrophobicContact CE1-CZ 4.03Å; F234-F281 HydrophobicContact CE2-CB 4.22Å; F234-F281 AromaticContact CE2-CD1 3.75Å; F234-F281 HydrophobicContact CE2-CD1 3.75Å; F234-F281 HydrophobicContact CE2-CD2 4.31Å; F234-F281 HydrophobicContact CE2-CE1 4.17Å; F234-F281 AromaticContact CE2-CG 3.84Å; F234-F281 HydrophobicContact CE2-CG 3.84Å; F234-F281 HydrophobicContact CG-CD1 4.35Å; F234-F281 HydrophobicContact CG-CD2 4.16Å; F234-F281 HydrophobicContact CG-CE1 4.05Å; F234-F281 AromaticContact CG-CE2 3.82Å; F234-F281 HydrophobicContact CG-CE2 3.82Å; F234-F281 HydrophobicContact CG-CG 4.42Å; F234-F281 AromaticContact CG-CZ 3.78Å; F234-F281 HydrophobicContact CG-CZ 3.78Å; F234-F281 AromaticContact CZ-CD1 3.62Å; F234-F281 HydrophobicContact CZ-CD1 3.62Å; F234-F281 AromaticContact CZ-CE1 3.8Å; F234-F281 HydrophobicContact CZ-CE1 3.8Å; F234-F281 HydrophobicContact CZ-CG 4.21Å; F234-F281 HydrophobicContact CZ-CZ 4.49Å; F262-F281 HydrophobicContact CD1-CD2 4.46Å; F262-F281 HydrophobicContact CE1-CD2 4.33Å; F262-F281 HydrophobicContact CE1-CE2 4.49Å; S264-F281 WeakPolarHBondContact O-CA 3.33Å; S264-F281 WeakPolarHBondContact O-CB 3.39Å; A265-F281 HydrophobicContact CB-CB 3.97Å; F281-F283 AromaticContact CD2-CD1 3.94Å; F281-F283 HydrophobicContact CD2-CD1 3.94Å; F281-F283 HydrophobicContact CD2-CE1 4.03Å; F281-F283 HydrophobicContact CE2-CD1 4.25Å; F281-F283 AromaticContact CE2-CE1 3.89Å; F281-F283 HydrophobicContact CE2-CE1 3.89Å; F281-A300 HydrophobicContact CD1-CB 4.47Å; F281-A300 HydrophobicContact CD2-CB 4.06Å; F281-A300 HydrophobicContact CE1-CB 3.97Å; F281-A300 HydrophobicContact CE2-CB 3.51Å; F281-A300 HydrophobicContact CG-CB 4.5Å; F281-A300 HydrophobicContact CZ-CB 3.45Å; F281-A300 VanDerWaalsContact CZ-CB 3.45Å; F281-A300 PolarHBondContact N-O 3.45Å; F281-A300 PolarHBondContact O-N 2.68Å; F281-V302 HydrophobicContact CE1-CG1 4.27Å; F281-F320 HydrophobicContact CE2-CE2 4.04Å; F281-F320 AromaticContact CZ-CD2 3.88Å; F281-F320 HydrophobicContact CZ-CD2 3.88Å; F281-F320 AromaticContact CZ-CE2 3.59Å; F281-F320 HydrophobicContact CZ-CE2 3.59Å
282	F	98.7	Very high	90.8	Very high	1 Å²	1	48.8 Å²	48.8	0%	0.004	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	132.2	-169.4	-63.5	-93.7	0	0	0	109.2	I263 S264 V299 L325 L342 V345 V358	I263-F282 WeakPolarHBondContact CB-O 3.45Å; I263-F282 PolarHBondContact N-O 2.79Å; S264-F282 PolarHBondContact N-O 3.08Å; S264-F282 PolarHBondContact O-N 2.84Å; S264-F282 WeakPolarHBondContact OG-CD2 3.31Å; F282-V299 HydrophobicContact CD1-CB 3.95Å; F282-V299 HydrophobicContact CD1-CG2 4Å; F282-V299 HydrophobicContact CE1-CB 3.77Å; F282-V299 HydrophobicContact CE1-CG2 3.52Å; F282-V299 HydrophobicContact CZ-CG2 3.82Å; F282-L325 HydrophobicContact CD1-CD1 3.81Å; F282-L325 HydrophobicContact CE1-CD1 4.15Å; F282-L342 HydrophobicContact CB-CD2 3.87Å; F282-V345 HydrophobicContact CB-CG2 3.82Å; F282-V345 HydrophobicContact CD1-CG1 4.42Å; F282-V345 HydrophobicContact CD1-CG2 4.12Å; F282-V345 HydrophobicContact CD2-CG1 4.15Å; F282-V345 HydrophobicContact CE1-CG1 4.5Å; F282-V345 HydrophobicContact CE2-CG1 4.24Å; F282-V345 HydrophobicContact CG-CB 4.47Å; F282-V345 HydrophobicContact CG-CG1 4.24Å; F282-V345 HydrophobicContact CG-CG2 3.93Å; F282-V345 HydrophobicContact CZ-CG1 4.41Å; F282-V358 HydrophobicContact CE1-CG1 3.98Å; F282-V358 HydrophobicContact CZ-CG1 3.98Å
283	F	98.3	Very high	90.7	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	164.8	-174.4	64.1	-79.8	0	0	0	111.2	A260 R261 F262 F281 E285 R298 A300 K322	A260-F283 HydrophobicContact CB-CD2 3.82Å; A260-F283 HydrophobicContact CB-CE2 4.33Å; R261-F283 VanDerWaalsContact O-CA 3.3Å; R261-F283 WeakPolarHBondContact O-CA 3.46Å; R261-F283 WeakPolarHBondContact O-CB 3.21Å; F262-F283 HydrophobicContact CD1-CB 3.87Å; F262-F283 HydrophobicContact CD1-CG 4.27Å; F262-F283 HydrophobicContact CE1-CG 4.46Å; F262-F283 HydrophobicContact CG-CB 4.36Å; F281-F283 AromaticContact CD2-CD1 3.94Å; F281-F283 HydrophobicContact CD2-CD1 3.94Å; F281-F283 HydrophobicContact CD2-CE1 4.03Å; F281-F283 HydrophobicContact CE2-CD1 4.25Å; F281-F283 AromaticContact CE2-CE1 3.89Å; F281-F283 HydrophobicContact CE2-CE1 3.89Å; F283-E285 HydrophobicContact CD2-CB 4.01Å; F283-E285 HydrophobicContact CD2-CG 4.42Å; F283-E285 HydrophobicContact CE2-CB 3.88Å; F283-E285 HydrophobicContact CE2-CG 3.96Å; F283-R298 HydrophobicContact CD1-CB 4.04Å; F283-R298 HydrophobicContact CD2-CB 4.27Å; F283-R298 HydrophobicContact CD2-CG 4.37Å; F283-R298 HydrophobicContact CE1-CB 3.71Å; F283-R298 HydrophobicContact CE1-CG 4.44Å; F283-R298 HydrophobicContact CE2-CB 3.98Å; F283-R298 HydrophobicContact CE2-CG 3.87Å; F283-R298 HydrophobicContact CG-CB 4.32Å; F283-R298 HydrophobicContact CZ-CB 3.69Å; F283-R298 HydrophobicContact CZ-CG 3.91Å; F283-R298 PolarHBondContact N-O 3.39Å; F283-R298 VanDerWaalsContact N-O 3.17Å; F283-R298 PolarHBondContact O-N 3.21Å; F283-A300 HydrophobicContact CE1-CB 3.69Å; F283-A300 HydrophobicContact CZ-CB 4.46Å; F283-K322 HydrophobicContact CZ-CD 4.14Å
284	R	97.3	Very high	90.6	Very high	31 Å²	31	44.8 Å²	44.8	12%	0.117	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	140.4	162.5	64.3	-176.6	-166.9	-97.5	20	110.5	A260 R261 I295 L296 E341 L342 Q343	A260-R284 CarbonylContact C-O 3.48Å; A260-R284 WeakPolarHBondContact CA-O 3.28Å; R261-R284 HydrophobicContact CB-CG 4.01Å; R261-R284 PolarHBondContact N-O 2.84Å; R261-R284 PolarHBondContact O-N 2.74Å; R284-I295 HydrophobicContact CB-CG2 3.98Å; R284-I295 HydrophobicContact CG-CG2 4.18Å; R284-L296 CarbonylContact C-O 3.6Å; R284-L296 VanDerWaalsContact CA-O 3.31Å; R284-L296 WeakPolarHBondContact CA-O 3.22Å; R284-E341 IonicContact CZ-OE2 3.83Å; R284-E341 IonicContact NE-OE2 2.86Å; R284-E341 PolarHBondContact NE-OE2 2.85Å; R284-E341 IonicContact NH2-OE2 3.3Å; R284-E341 PolarHBondContact NH2-OE2 2.85Å; R284-L342 WeakPolarHBondContact CD-O 3.49Å; R284-L342 PolarHBondContact NH1-O 3.05Å; R284-Q343 VanDerWaalsContact CZ-OE1 3.27Å; R284-Q343 VanDerWaalsContact NH2-NE2 3.19Å
285	E	95.2	Very high	90.7	Very high	5 Å²	5	42.9 Å²	42.9	2%	0.023	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	165.1	-176.4	66.3	170.3	-179.2	0	0	111.5	N258 A260 F283 I295 L296 R298 K322	N258-E285 PolarHBondContact N-OE2 2.62Å; N258-E285 WeakPolarHBondContact O-CB 3.34Å; A260-E285 HydrophobicContact CB-CB 4.1Å; F283-E285 HydrophobicContact CD2-CB 4.01Å; F283-E285 HydrophobicContact CD2-CG 4.42Å; F283-E285 HydrophobicContact CE2-CB 3.88Å; F283-E285 HydrophobicContact CE2-CG 3.96Å; E285-I295 CarbonylContact O-C 3.57Å; E285-I295 WeakPolarHBondContact O-CA 3.47Å; E285-L296 PolarHBondContact N-O 3.38Å; E285-L296 PolarHBondContact O-N 3.45Å; E285-R298 HydrophobicContact CG-CG 3.97Å; E285-R298 IonicContact OE1-CZ 2.69Å; E285-R298 IonicContact OE1-NE 3.38Å; E285-R298 PolarHBondContact OE1-NE 3.23Å; E285-R298 IonicContact OE1-NH2 2.73Å; E285-R298 PolarHBondContact OE1-NH2 2.71Å; E285-K322 VanDerWaalsContact OE1-CE 3.32Å; E285-K322 WeakPolarHBondContact OE1-CE 3.45Å; E285-K322 IonicContact OE1-NZ 3.59Å; E285-K322 PolarHBondContact OE1-NZ 2.74Å; E285-K322 IonicContact OE2-NZ 2.81Å; E285-K322 PolarHBondContact OE2-NZ 3.23Å
286	V	93.4	Very high	90.9	Very high	13 Å²	13	40.8 Å²	40.8	8%	0.079	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	123.2	171.1	167	0	0	0	0	109.9	N258 E259 K293 S294	N258-V286 WeakPolarHBondContact CB-O 3.5Å; N258-V286 WeakPolarHBondContact ND2-CB 3.42Å; N258-V286 VanDerWaalsContact ND2-CG1 3.34Å; N258-V286 WeakPolarHBondContact ND2-CG1 3.48Å; N258-V286 PolarHBondContact ND2-O 2.83Å; N258-V286 PolarHBondContact O-N 3.16Å; E259-V286 HydrophobicContact CB-CB 4.27Å; E259-V286 HydrophobicContact CB-CG2 3.93Å; E259-V286 WeakPolarHBondContact OE2-CG2 3.37Å; V286-K293 HydrophobicContact CG1-CD 3.78Å; V286-K293 HydrophobicContact CG1-CG 3.82Å; V286-S294 WeakPolarHBondContact CA-O 3.46Å
287	S	90.8	Very high	91.2	Very high	5 Å²	5	40.2 Å²	40.2	4%	0.035	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	152.1	179.3	-168.3	0	0	0	0	112.6	E289 S294 L296	S287-E289 WeakPolarHBondContact OG-CB 3.32Å; S287-E289 WeakPolarHBondContact OG-CG 3.27Å; S287-E289 PolarHBondContact OG-N 3.11Å; S287-S294 PolarHBondContact N-O 2.68Å; S287-S294 PolarHBondContact O-N 3.31Å; S287-L296 VanDerWaalsContact CB-CD1 3.47Å; S287-L296 WeakPolarHBondContact OG-CD1 3.04Å
288	W	83.9	Confident	91.3	Very high	141 Å²	141	38.9 Å²	38.9	53%	0.534	20%	0.202	S	C	.	.			trans	-129.8	39.5	170.5	-57.5	98.9	0	0	0	109.3	K293	W288-K293 HydrophobicContact CE3-CB 4.11Å; W288-K293 HydrophobicContact CH2-CB 3.75Å; W288-K293 HydrophobicContact CH2-CD 4.18Å; W288-K293 HydrophobicContact CH2-CG 4.38Å; W288-K293 HydrophobicContact CZ2-CB 4.18Å; W288-K293 HydrophobicContact CZ2-CD 3.96Å; W288-K293 HydrophobicContact CZ2-CG 4.34Å; W288-K293 HydrophobicContact CZ3-CB 3.71Å
289	E	80.1	Confident	91.4	Very high	57 Å²	57	38.7 Å²	38.7	27%	0.266	20%	0.202	S	C	.	.	S	Bend	trans	-79.5	-28.8	175.1	-82.5	162.8	-154.1	0	0	113	S287 L296 R298 W400 L443	S287-E289 WeakPolarHBondContact OG-CB 3.32Å; S287-E289 WeakPolarHBondContact OG-CG 3.27Å; S287-E289 PolarHBondContact OG-N 3.11Å; E289-L296 WeakPolarHBondContact OE2-CD1 3.34Å; E289-R298 IonicContact OE1-CZ 3.65Å; E289-R298 IonicContact OE1-NH1 3.79Å; E289-R298 PolarHBondContact OE1-NH1 3.42Å; E289-R298 IonicContact OE1-NH2 3.16Å; E289-R298 PolarHBondContact OE1-NH2 3.31Å; E289-R298 IonicContact OE2-NH1 3.63Å; E289-R298 PolarHBondContact OE2-NH1 2.74Å; E289-R298 IonicContact OE2-NH2 2.67Å; E289-W400 HydrophobicContact CG-CB 4.47Å; E289-W400 HydrophobicContact CG-CG 4.08Å; E289-L443 HydrophobicContact CG-CD2 4.41Å; E289-L443 WeakPolarHBondContact OE1-CD2 3.37Å
290	G	74.7	Confident	91.4	Very high	47 Å²	47	38.7 Å²	38.7	49%	0.485	20%	0.202	S	C	.	.	S	Bend	trans	-100.2	-172.3	170.7	0	0	0	0	0	112.5	D292	G290-D292 VanDerWaalsContact C-N 3.27Å; G290-D292 PolarHBondContact O-N 3.47Å
291	N	70.1	Confident	91.4	Very high	168 Å²	168	39.2 Å²	39.2	90%	0.898	20%	0.204	S	C	*	.	S	Bend	trans	-67.4	-26.1	179.3	-64.7	-8.2	0	0	0	113.5
292	D	80.4	Confident	91.4	Very high	132 Å²	132	39.2 Å²	39.2	71%	0.706	20%	0.204	S	C	*	.	S	Bend	trans	-118.8	157	-175.1	-68.1	-63.9	0	0	0	111.8	G290 S294	G290-D292 VanDerWaalsContact C-N 3.27Å; G290-D292 PolarHBondContact O-N 3.47Å; D292-S294 PolarHBondContact O-N 2.56Å
293	K	87.3	Confident	91.3	Very high	107 Å²	107	39.2 Å²	39.2	47%	0.465	20%	0.204	S	C	.	.			trans	-62.9	114.9	171.4	175.5	162.8	171.5	154.1	0	109.8	E259 V286 W288	E259-K293 IonicContact OE2-NZ 3.55Å; E259-K293 PolarHBondContact OE2-NZ 2.82Å; V286-K293 HydrophobicContact CG1-CD 3.78Å; V286-K293 HydrophobicContact CG1-CG 3.82Å; W288-K293 HydrophobicContact CE3-CB 4.11Å; W288-K293 HydrophobicContact CH2-CB 3.75Å; W288-K293 HydrophobicContact CH2-CD 4.18Å; W288-K293 HydrophobicContact CH2-CG 4.38Å; W288-K293 HydrophobicContact CZ2-CB 4.18Å; W288-K293 HydrophobicContact CZ2-CD 3.96Å; W288-K293 HydrophobicContact CZ2-CG 4.34Å; W288-K293 HydrophobicContact CZ3-CB 3.71Å
294	S	90.6	Very high	91.2	Very high	43 Å²	43	40.8 Å²	40.8	30%	0.301	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	165.1	172.9	64.3	0	0	0	0	111.5	V286 S287 D292	V286-S294 WeakPolarHBondContact CA-O 3.46Å; S287-S294 PolarHBondContact N-O 2.68Å; S287-S294 PolarHBondContact O-N 3.31Å; D292-S294 PolarHBondContact O-N 2.56Å
295	I	94.1	Very high	91.1	Very high	52 Å²	52	41.4 Å²	41.4	27%	0.267	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	133.3	162.2	-60.6	169.4	0	0	0	106	R284 E285 D340 E341	R284-I295 HydrophobicContact CB-CG2 3.98Å; R284-I295 HydrophobicContact CG-CG2 4.18Å; E285-I295 CarbonylContact O-C 3.57Å; E285-I295 WeakPolarHBondContact O-CA 3.47Å; I295-D340 VanDerWaalsContact O-CB 3.25Å; I295-D340 WeakPolarHBondContact O-CB 3.38Å; I295-E341 HydrophobicContact CB-CG 4.3Å; I295-E341 HydrophobicContact CD1-CG 4.25Å; I295-E341 HydrophobicContact CG2-CG 3.91Å
296	L	95.4	Very high	91.1	Very high	7 Å²	7	41.1 Å²	41.1	4%	0.037	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	143.3	175.1	-66.7	-174.9	0	0	0	111.2	R284 E285 S287 E289 D340	R284-L296 CarbonylContact C-O 3.6Å; R284-L296 VanDerWaalsContact CA-O 3.31Å; R284-L296 WeakPolarHBondContact CA-O 3.22Å; E285-L296 PolarHBondContact N-O 3.38Å; E285-L296 PolarHBondContact O-N 3.45Å; S287-L296 VanDerWaalsContact CB-CD1 3.47Å; S287-L296 WeakPolarHBondContact OG-CD1 3.04Å; E289-L296 WeakPolarHBondContact OE2-CD1 3.34Å; L296-D340 HydrophobicContact CD2-CB 4.39Å
297	S	98.2	Very high	91.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	142.4	172.8	-68.6	0	0	0	0	112.1	R324 L325 D340 L342	S297-R324 WeakPolarHBondContact O-CA 3.4Å; S297-L325 PolarHBondContact O-N 2.79Å; S297-D340 PolarHBondContact N-O 3.08Å; S297-D340 PolarHBondContact OG-O 2.95Å; S297-L342 WeakPolarHBondContact OG-CB 3.14Å; S297-L342 PolarHBondContact OG-N 2.88Å
298	R	98.1	Very high	91.4	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.015	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	147.5	-174.4	-56.5	-62.2	-163.2	-170.2	1.5	112.2	F283 E285 E289 A323	F283-R298 HydrophobicContact CD1-CB 4.04Å; F283-R298 HydrophobicContact CD2-CB 4.27Å; F283-R298 HydrophobicContact CD2-CG 4.37Å; F283-R298 HydrophobicContact CE1-CB 3.71Å; F283-R298 HydrophobicContact CE1-CG 4.44Å; F283-R298 HydrophobicContact CE2-CB 3.98Å; F283-R298 HydrophobicContact CE2-CG 3.87Å; F283-R298 HydrophobicContact CG-CB 4.32Å; F283-R298 HydrophobicContact CZ-CB 3.69Å; F283-R298 HydrophobicContact CZ-CG 3.91Å; F283-R298 PolarHBondContact N-O 3.39Å; F283-R298 VanDerWaalsContact N-O 3.17Å; F283-R298 PolarHBondContact O-N 3.21Å; E285-R298 HydrophobicContact CG-CG 3.97Å; E285-R298 IonicContact OE1-CZ 2.69Å; E285-R298 IonicContact OE1-NE 3.38Å; E285-R298 PolarHBondContact OE1-NE 3.23Å; E285-R298 IonicContact OE1-NH2 2.73Å; E285-R298 PolarHBondContact OE1-NH2 2.71Å; E289-R298 IonicContact OE1-CZ 3.65Å; E289-R298 IonicContact OE1-NH1 3.79Å; E289-R298 PolarHBondContact OE1-NH1 3.42Å; E289-R298 IonicContact OE1-NH2 3.16Å; E289-R298 PolarHBondContact OE1-NH2 3.31Å; E289-R298 IonicContact OE2-NH1 3.63Å; E289-R298 PolarHBondContact OE2-NH1 2.74Å; E289-R298 IonicContact OE2-NH2 2.67Å; R298-A323 VanDerWaalsContact CA-O 3.28Å; R298-A323 WeakPolarHBondContact CA-O 3.5Å
299	V	98.8	Very high	91.9	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	139	152.6	58.9	0	0	0	0	107.9	Y280 F282 K322 A323 L325 I382 F386 V448	Y280-V299 HydrophobicContact CD1-CG2 4.09Å; F282-V299 HydrophobicContact CD1-CB 3.95Å; F282-V299 HydrophobicContact CD1-CG2 4Å; F282-V299 HydrophobicContact CE1-CB 3.77Å; F282-V299 HydrophobicContact CE1-CG2 3.52Å; F282-V299 HydrophobicContact CZ-CG2 3.82Å; V299-K322 CarbonylContact O-C 3.57Å; V299-K322 WeakPolarHBondContact O-CA 3.49Å; V299-A323 HydrophobicContact CG1-CB 4.34Å; V299-A323 PolarHBondContact N-O 2.9Å; V299-A323 PolarHBondContact O-N 2.93Å; V299-L325 HydrophobicContact CB-CD1 4.1Å; V299-L325 HydrophobicContact CB-CG 4.23Å; V299-L325 HydrophobicContact CG1-CD2 4.24Å; V299-L325 HydrophobicContact CG1-CG 4.16Å; V299-I382 HydrophobicContact CG1-CG2 4.18Å; V299-I382 HydrophobicContact CG2-CG2 4.11Å; V299-F386 HydrophobicContact CG1-CE2 4.2Å; V299-F386 HydrophobicContact CG1-CZ 4.12Å; V299-F386 HydrophobicContact CG2-CE2 4.33Å; V299-F386 HydrophobicContact CG2-CZ 4.42Å; V299-V448 HydrophobicContact CG1-CG2 4.32Å
300	A	98.4	Very high	92.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	163.3	172.7	0	0	0	0	0	111.2	Y280 F281 F283 L321 K322	Y280-A300 CarbonylContact C-O 3.49Å; Y280-A300 VanDerWaalsContact CA-O 3.3Å; Y280-A300 WeakPolarHBondContact CA-O 3.35Å; F281-A300 HydrophobicContact CD1-CB 4.47Å; F281-A300 HydrophobicContact CD2-CB 4.06Å; F281-A300 HydrophobicContact CE1-CB 3.97Å; F281-A300 HydrophobicContact CE2-CB 3.51Å; F281-A300 HydrophobicContact CG-CB 4.5Å; F281-A300 HydrophobicContact CZ-CB 3.45Å; F281-A300 VanDerWaalsContact CZ-CB 3.45Å; F281-A300 PolarHBondContact N-O 3.45Å; F281-A300 PolarHBondContact O-N 2.68Å; F283-A300 HydrophobicContact CE1-CB 3.69Å; F283-A300 HydrophobicContact CZ-CB 4.46Å; A300-L321 CarbonylContact C-O 3.51Å; A300-L321 WeakPolarHBondContact CA-O 3.27Å; A300-L321 VanDerWaalsContact CB-O 3.23Å; A300-L321 WeakPolarHBondContact CB-O 3.46Å; A300-K322 HydrophobicContact CB-CB 3.78Å
301	R	98	Very high	93.4	Very high	11 Å²	11	43.9 Å²	43.9	4%	0.042	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	153.1	178.1	70.3	-173.6	-167.8	165.7	2.9	112.9	D270 K278 I279 Y280 F320 L321 F386	D270-R301 IonicContact OD2-CZ 2.91Å; D270-R301 IonicContact OD2-NH1 3.85Å; D270-R301 PolarHBondContact OD2-NH1 2.78Å; K278-R301 HydrophobicContact CD-CG 4.35Å; I279-R301 VanDerWaalsContact O-CA 3.32Å; I279-R301 WeakPolarHBondContact O-CA 3.22Å; Y280-R301 HydrophobicContact CD1-CB 3.79Å; Y280-R301 HydrophobicContact CE1-CB 3.76Å; Y280-R301 HydrophobicContact CE1-CG 4.3Å; Y280-R301 HydrophobicContact CG-CB 4.22Å; Y280-R301 PolarHBondContact OH-NH1 3.43Å; R301-F320 WeakPolarHBondContact O-CA 3.37Å; R301-L321 PolarHBondContact N-O 2.75Å; R301-L321 PolarHBondContact O-N 3.1Å; R301-L321 VanDerWaalsContact O-N 3.16Å; R301-F386 HydrophobicContact CB-CZ 4.48Å; R301-F386 HydrophobicContact CG-CD1 4.3Å; R301-F386 HydrophobicContact CG-CD2 4.3Å; R301-F386 HydrophobicContact CG-CE1 4.17Å; R301-F386 HydrophobicContact CG-CE2 4.16Å; R301-F386 HydrophobicContact CG-CG 4.38Å; R301-F386 HydrophobicContact CG-CZ 4.1Å; R301-F386 VanDerWaalsContact CZ-CB 3.45Å
302	V	98.1	Very high	94.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	155.1	165.5	-64.6	0	0	0	0	109.9	F234 K278 I279 F281 W317 F320	F234-V302 HydrophobicContact CE1-CG1 4.23Å; F234-V302 HydrophobicContact CE1-CG2 3.75Å; F234-V302 HydrophobicContact CZ-CG2 4.37Å; K278-V302 CarbonylContact C-O 3.48Å; K278-V302 WeakPolarHBondContact CA-O 3.24Å; K278-V302 VanDerWaalsContact CB-O 3.32Å; K278-V302 WeakPolarHBondContact CB-O 3.32Å; I279-V302 HydrophobicContact CB-CG2 4.14Å; I279-V302 PolarHBondContact N-O 2.82Å; I279-V302 PolarHBondContact O-N 2.54Å; I279-V302 VanDerWaalsContact O-N 3.09Å; F281-V302 HydrophobicContact CE1-CG1 4.27Å; V302-W317 HydrophobicContact CB-CD2 4.19Å; V302-W317 HydrophobicContact CB-CE3 3.84Å; V302-W317 HydrophobicContact CB-CZ3 4.05Å; V302-W317 HydrophobicContact CG1-CB 4.31Å; V302-W317 HydrophobicContact CG1-CD2 3.68Å; V302-W317 HydrophobicContact CG1-CE3 3.85Å; V302-W317 HydrophobicContact CG1-CG 3.88Å; V302-W317 HydrophobicContact CG1-CZ3 4.44Å; V302-W317 HydrophobicContact CG2-CD2 4.46Å; V302-W317 HydrophobicContact CG2-CE3 4.12Å; V302-W317 HydrophobicContact CG2-CH2 3.96Å; V302-W317 HydrophobicContact CG2-CZ2 4.29Å; V302-W317 HydrophobicContact CG2-CZ3 3.86Å; V302-F320 HydrophobicContact CG1-CB 4.05Å; V302-F320 HydrophobicContact CG1-CD2 4.2Å
303	C	97.1	Very high	95.1	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.007	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	134.3	171.4	-65.6	0	0	0	0	111.4	N305 D306 T319 C415	C303-N305 PolarHBondContact O-N 3.01Å; C303-D306 HydrophobicContact CB-CB 4.41Å; C303-D306 VanDerWaalsContact O-CB 3.28Å; C303-D306 WeakPolarHBondContact O-CB 3.45Å; C303-D306 PolarHBondContact O-N 2.81Å; C303-D306 VanDerWaalsContact O-N 3.12Å; C303-T319 HydrophobicContact CB-CG2 3.89Å; C303-T319 WeakPolarHBondContact CB-OG1 3.43Å; C303-T319 PolarHBondContact N-OG1 2.9Å; C303-C415 HydrophobicContact CB-CB 3.67Å; C303-C415 WeakPolarHBondContact CB-SG 3.14Å; C303-C415 WeakPolarHBondContact SG-CA 3.39Å; C303-C415 WeakPolarHBondContact SG-CB 3.42Å; C303-C415 PolarHBondContact SG-N 2.03Å; C303-C415 VanDerWaalsContact SG-N 3.41Å; C303-C415 CovalentContact SG-SG 2.03Å; C303-C415 PolarHBondContact SG-SG 3.43Å
304	K	95.5	Very high	95.4	Very high	32 Å²	32	31.2 Å²	31.2	14%	0.139	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-33.2	-177.9	-171.7	-177.1	-179.4	-166.3	0	112.3	S215 D216 Y220 R236 D277	S215-K304 WeakPolarHBondContact OG-CE 3.42Å; D216-K304 WeakPolarHBondContact OD1-CE 3.31Å; D216-K304 IonicContact OD1-NZ 3.68Å; D216-K304 PolarHBondContact OD1-NZ 3.5Å; D216-K304 WeakPolarHBondContact OD2-CE 3.31Å; D216-K304 IonicContact OD2-NZ 2.74Å; D216-K304 PolarHBondContact OD2-NZ 2.85Å; Y220-K304 PolarHBondContact OH-O 2.97Å; R236-K304 PolarHBondContact NH1-O 3.17Å; D277-K304 HydrophobicContact CB-CB 3.76Å; D277-K304 HydrophobicContact CB-CD 3.45Å; D277-K304 VanDerWaalsContact CB-CD 3.45Å; D277-K304 HydrophobicContact CB-CG 4.3Å; D277-K304 WeakPolarHBondContact O-CB 3.39Å; D277-K304 PolarHBondContact O-N 3.39Å; D277-K304 WeakPolarHBondContact OD2-CD 3.4Å; D277-K304 IonicContact OD2-NZ 2.74Å; D277-K304 PolarHBondContact OD2-NZ 3.13Å
305	N	94.1	Very high	95.5	Very high	44 Å²	44	33.9 Å²	33.9	24%	0.235	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	11.1	178.6	66.4	-5.7	0	0	0	114.8	D275 C303 V307 P416	D275-N305 PolarHBondContact O-ND2 3.21Å; D275-N305 PolarHBondContact O-OD1 3.28Å; C303-N305 PolarHBondContact O-N 3.01Å; N305-V307 PolarHBondContact O-N 2.82Å; N305-P416 PolarHBondContact ND2-O 2.84Å; N305-P416 WeakPolarHBondContact OD1-CD 3.45Å
306	D	95.9	Very high	95.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.17	C	C	.	.			trans	-62.8	131.5	172.3	-168.2	-23.4	0	0	0	110.1	R236 I247 C303 G308 W317 T318 T319 T427	R236-D306 VanDerWaalsContact CZ-O 3.26Å; R236-D306 PolarHBondContact NH1-O 2.92Å; R236-D306 PolarHBondContact NH2-O 2.84Å; I247-D306 VanDerWaalsContact CD1-O 3.29Å; I247-D306 WeakPolarHBondContact CD1-O 3.47Å; C303-D306 HydrophobicContact CB-CB 4.41Å; C303-D306 VanDerWaalsContact O-CB 3.28Å; C303-D306 WeakPolarHBondContact O-CB 3.45Å; C303-D306 PolarHBondContact O-N 2.81Å; C303-D306 VanDerWaalsContact O-N 3.12Å; D306-G308 PolarHBondContact OD1-N 2.87Å; D306-W317 HydrophobicContact CB-CE3 3.89Å; D306-W317 HydrophobicContact CB-CZ3 3.96Å; D306-T318 VanDerWaalsContact CG-OG1 3.28Å; D306-T318 PolarHBondContact OD1-OG1 2.86Å; D306-T318 PolarHBondContact OD2-N 2.83Å; D306-T318 PolarHBondContact OD2-OG1 2.61Å; D306-T319 HydrophobicContact CB-CG2 4.44Å; D306-T319 WeakPolarHBondContact OD2-CB 3.33Å; D306-T319 PolarHBondContact OD2-N 2.68Å; D306-T319 PolarHBondContact OD2-OG1 3Å; D306-T427 HydrophobicContact CB-CG2 4.16Å
307	V	94.5	Very high	95.7	Very high	28 Å²	28	33.3 Å²	33.3	17%	0.17	17%	0.169	C	C	.	.			trans	-124	18.2	178.4	-60.9	0	0	0	0	112.6	N305 T426 T427 K428	N305-V307 PolarHBondContact O-N 2.82Å; V307-T426 WeakPolarHBondContact CG2-OG1 3.45Å; V307-T427 VanDerWaalsContact CG2-OG1 3.31Å; V307-T427 WeakPolarHBondContact CG2-OG1 3.4Å; V307-T427 PolarHBondContact N-OG1 2.8Å; V307-K428 HydrophobicContact CG2-CD 4.13Å; V307-K428 HydrophobicContact CG2-CG 4.22Å; V307-K428 VanDerWaalsContact O-CE 3.32Å; V307-K428 WeakPolarHBondContact O-CE 3.44Å
308	G	95.3	Very high	95.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.169	C	C	.	.			trans	75.8	175	-174.8	0	0	0	0	0	113.8	D306 K316 T427 K428	D306-G308 PolarHBondContact OD1-N 2.87Å; G308-K316 VanDerWaalsContact CA-O 3.23Å; G308-K316 WeakPolarHBondContact CA-O 3.42Å; G308-T427 PolarHBondContact N-OG1 2.98Å; G308-T427 PolarHBondContact O-OG1 3.31Å; G308-K428 WeakPolarHBondContact O-CG 3.24Å
309	G	94.9	Very high	95.6	Very high	3 Å²	3	33.2 Å²	33.2	3%	0.031	17%	0.169	C	C	.	.			trans	-84.9	164.5	180	0	0	0	0	0	113.1	S312 L313 T314	G309-S312 CarbonylContact C-O 3.37Å; G309-S312 VanDerWaalsContact CA-O 3.31Å; G309-S312 WeakPolarHBondContact CA-O 3.38Å; G309-L313 PolarHBondContact N-O 2.94Å; G309-T314 WeakPolarHBondContact O-CG2 3.15Å
310	L	94.2	Very high	95.6	Very high	115 Å²	115	33.3 Å²	33.3	60%	0.602	17%	0.169	S	C	*	.	S	Bend	trans	-78.9	-34.1	-176.9	-178.4	62.4	0	0	0	113.6	K428	L310-K428 HydrophobicContact CB-CB 4.18Å; L310-K428 HydrophobicContact CB-CG 4.5Å; L310-K428 HydrophobicContact CD1-CB 4.47Å
311	R	92.1	Very high	95.6	Very high	174 Å²	174	33.3 Å²	33.3	66%	0.657	17%	0.169	S	C	*	.	S	Bend	trans	-128.2	-63.3	-173.7	-63.4	172.5	176.5	165.7	-4.7	110.8	T314 D432	R311-T314 WeakPolarHBondContact O-CG2 3.32Å; R311-D432 IonicContact CZ-OD2 2.77Å; R311-D432 IonicContact NH1-OD2 3.93Å; R311-D432 PolarHBondContact NH1-OD2 2.93Å
312	S	92.4	Very high	95.6	Very high	58 Å²	58	33 Å²	33	41%	0.406	17%	0.168	S	C	.	.	S	Bend	trans	-86.3	158	166.1	-59.9	0	0	0	0	110.4	G309 T314	G309-S312 CarbonylContact C-O 3.37Å; G309-S312 VanDerWaalsContact CA-O 3.31Å; G309-S312 WeakPolarHBondContact CA-O 3.38Å; S312-T314 PolarHBondContact O-N 3.04Å
313	L	93.8	Very high	95.6	Very high	9 Å²	9	33 Å²	33	5%	0.047	17%	0.168	C	C	.	.	S	Bend	trans	52.2	33.2	-176.7	-55.7	-176.8	0	0	0	114	W256 G309 N315 K316 T318 I435 I438 R439	W256-L313 HydrophobicContact CH2-CD1 4.38Å; W256-L313 HydrophobicContact CH2-CD2 4.35Å; W256-L313 HydrophobicContact CZ2-CD1 4.39Å; W256-L313 HydrophobicContact CZ2-CD2 4.14Å; G309-L313 PolarHBondContact N-O 2.94Å; L313-N315 PolarHBondContact O-N 2.89Å; L313-K316 HydrophobicContact CB-CB 4.12Å; L313-K316 HydrophobicContact CD2-CB 4.22Å; L313-K316 HydrophobicContact CD2-CD 4.08Å; L313-K316 PolarHBondContact O-N 2.92Å; L313-K316 VanDerWaalsContact O-O 3.05Å; L313-T318 HydrophobicContact CB-CG2 4Å; L313-T318 HydrophobicContact CD1-CG2 4.32Å; L313-I435 HydrophobicContact CB-CG2 4.26Å; L313-I435 HydrophobicContact CD1-CG2 4.01Å; L313-I435 HydrophobicContact CG-CG2 4Å; L313-I438 HydrophobicContact CD1-CG2 4Å; L313-R439 HydrophobicContact CD1-CB 4.35Å; L313-R439 HydrophobicContact CD2-CB 4.44Å; L313-R439 HydrophobicContact CD2-CG 4.35Å
314	T	94.5	Very high	95.6	Very high	75 Å²	75	35.4 Å²	35.4	46%	0.46	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	125.4	172.2	40.7	0	0	0	0	110.3	G309 R311 S312 K316	G309-T314 WeakPolarHBondContact O-CG2 3.15Å; R311-T314 WeakPolarHBondContact O-CG2 3.32Å; S312-T314 PolarHBondContact O-N 3.04Å; T314-K316 PolarHBondContact O-N 2.04Å; T314-K316 VanDerWaalsContact O-N 3.14Å
315	N	93.3	Very high	95.7	Very high	99 Å²	99	34 Å²	34	53%	0.529	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	24.1	-170.2	-55.6	-19.4	0	0	0	114.3	I247 R248 L313	I247-N315 WeakPolarHBondContact CA-O 3.47Å; R248-N315 PolarHBondContact N-O 2.96Å; L313-N315 PolarHBondContact O-N 2.89Å
316	K	95.7	Very high	95.9	Very high	47 Å²	47	31.9 Å²	31.9	20%	0.204	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-120	155	170.1	-50.9	-172.7	-165.1	-178.2	0	110	I247 R248 D250 G308 L313 T314	I247-K316 VanDerWaalsContact CG2-C 3.46Å; R248-K316 CarbonylContact O-C 3.5Å; R248-K316 WeakPolarHBondContact O-CA 3.41Å; D250-K316 HydrophobicContact CB-CD 4.01Å; D250-K316 IonicContact OD1-NZ 3.77Å; D250-K316 PolarHBondContact OD1-NZ 3.45Å; D250-K316 VanDerWaalsContact OD2-CD 3.27Å; D250-K316 WeakPolarHBondContact OD2-CD 3.32Å; D250-K316 IonicContact OD2-NZ 2.72Å; D250-K316 PolarHBondContact OD2-NZ 2.91Å; G308-K316 VanDerWaalsContact CA-O 3.23Å; G308-K316 WeakPolarHBondContact CA-O 3.42Å; L313-K316 HydrophobicContact CB-CB 4.12Å; L313-K316 HydrophobicContact CD2-CB 4.22Å; L313-K316 HydrophobicContact CD2-CD 4.08Å; L313-K316 PolarHBondContact O-N 2.92Å; L313-K316 VanDerWaalsContact O-O 3.05Å; T314-K316 PolarHBondContact O-N 2.04Å; T314-K316 VanDerWaalsContact O-N 3.14Å
317	W	96.9	Very high	96	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.16	C	C	.	.			trans	-59.6	143.1	177.4	-61.5	111.6	0	0	0	111.3	Y220 F234 R236 I247 R248 W256 V302 D306 F320	Y220-W317 HydrophobicContact CD1-CH2 4.01Å; Y220-W317 HydrophobicContact CD1-CZ2 4.38Å; Y220-W317 AromaticContact CE1-CH2 3.74Å; Y220-W317 HydrophobicContact CE1-CH2 3.74Å; F234-W317 AromaticContact CD1-CE2 3.93Å; F234-W317 HydrophobicContact CD1-CZ2 4.07Å; F234-W317 AromaticContact CD1-NE1 3.55Å; F234-W317 AromaticContact CE1-CE2 3.96Å; F234-W317 HydrophobicContact CE1-CH2 4.49Å; F234-W317 AromaticContact CE1-CZ2 3.72Å; F234-W317 HydrophobicContact CE1-CZ2 3.72Å; F234-W317 PolarHBondContact O-NE1 2.96Å; R236-W317 HydrophobicContact CB-CH2 3.55Å; R236-W317 HydrophobicContact CB-CZ2 3.74Å; I247-W317 HydrophobicContact CB-CD2 4.45Å; I247-W317 HydrophobicContact CB-CH2 4.38Å; I247-W317 HydrophobicContact CB-CZ2 4.3Å; I247-W317 HydrophobicContact CD1-CZ3 4.4Å; I247-W317 HydrophobicContact CG2-CB 4.46Å; I247-W317 HydrophobicContact CG2-CD2 3.47Å; I247-W317 VanDerWaalsContact CG2-CD2 3.47Å; I247-W317 HydrophobicContact CG2-CE3 3.73Å; I247-W317 HydrophobicContact CG2-CG 3.83Å; I247-W317 HydrophobicContact CG2-CH2 4.36Å; I247-W317 HydrophobicContact CG2-CZ2 4.15Å; I247-W317 HydrophobicContact CG2-CZ3 4.17Å; R248-W317 PolarHBondContact O-N 2.95Å; R248-W317 VanDerWaalsContact O-N 3.09Å; W256-W317 WeakPolarHBondContact CH2-O 3.31Å; W256-W317 HydrophobicContact CZ3-CB 4.31Å; V302-W317 HydrophobicContact CB-CD2 4.19Å; V302-W317 HydrophobicContact CB-CE3 3.84Å; V302-W317 HydrophobicContact CB-CZ3 4.05Å; V302-W317 HydrophobicContact CG1-CB 4.31Å; V302-W317 HydrophobicContact CG1-CD2 3.68Å; V302-W317 HydrophobicContact CG1-CE3 3.85Å; V302-W317 HydrophobicContact CG1-CG 3.88Å; V302-W317 HydrophobicContact CG1-CZ3 4.44Å; V302-W317 HydrophobicContact CG2-CD2 4.46Å; V302-W317 HydrophobicContact CG2-CE3 4.12Å; V302-W317 HydrophobicContact CG2-CH2 3.96Å; V302-W317 HydrophobicContact CG2-CZ2 4.29Å; V302-W317 HydrophobicContact CG2-CZ3 3.86Å; D306-W317 HydrophobicContact CB-CE3 3.89Å; D306-W317 HydrophobicContact CB-CZ3 3.96Å; W317-F320 HydrophobicContact CB-CB 3.8Å; W317-F320 HydrophobicContact CG-CB 4.46Å
318	T	97	Very high	96	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.006	15%	0.153	C	C	.	.	S	Bend	trans	-116.4	-0.3	173.8	58.5	0	0	0	0	112.9	D306 L313 T427 I435 I438	D306-T318 VanDerWaalsContact CG-OG1 3.28Å; D306-T318 PolarHBondContact OD1-OG1 2.86Å; D306-T318 PolarHBondContact OD2-N 2.83Å; D306-T318 PolarHBondContact OD2-OG1 2.61Å; L313-T318 HydrophobicContact CB-CG2 4Å; L313-T318 HydrophobicContact CD1-CG2 4.32Å; T318-T427 VanDerWaalsContact OG1-CB 3.22Å; T318-T427 WeakPolarHBondContact OG1-CB 3.46Å; T318-T427 VanDerWaalsContact OG1-CG2 3.29Å; T318-T427 WeakPolarHBondContact OG1-CG2 3.36Å; T318-I435 HydrophobicContact CG2-CD1 3.61Å; T318-I438 WeakPolarHBondContact O-CD1 3.37Å
319	T	97.5	Very high	95.8	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.006	17%	0.165	C	C	.	.	S	Bend	trans	-125.5	9.2	-178.6	59.5	0	0	0	0	113.4	C303 D306 L321 T427 F430	C303-T319 HydrophobicContact CB-CG2 3.89Å; C303-T319 WeakPolarHBondContact CB-OG1 3.43Å; C303-T319 PolarHBondContact N-OG1 2.9Å; D306-T319 HydrophobicContact CB-CG2 4.44Å; D306-T319 WeakPolarHBondContact OD2-CB 3.33Å; D306-T319 PolarHBondContact OD2-N 2.68Å; D306-T319 PolarHBondContact OD2-OG1 3Å; T319-L321 PolarHBondContact O-N 2.65Å; T319-T427 HydrophobicContact CG2-CG2 4.34Å; T319-F430 HydrophobicContact CG2-CE2 4.14Å; T319-F430 HydrophobicContact CG2-CZ 4.47Å
320	F	97.9	Very high	95.5	Very high	1 Å²	1	36.5 Å²	36.5	0%	0.004	19%	0.186	C	C	.	.			trans	-67.5	122.9	179.2	176.1	-86	0	0	0	111.7	T249 W256 I257 F281 R301 V302 W317 I438 P442	T249-F320 HydrophobicContact CG2-CD2 3.67Å; T249-F320 HydrophobicContact CG2-CE2 3.52Å; T249-F320 HydrophobicContact CG2-CG 4.46Å; T249-F320 HydrophobicContact CG2-CZ 4.23Å; W256-F320 HydrophobicContact CD2-CD1 4.34Å; W256-F320 HydrophobicContact CD2-CE1 4.49Å; W256-F320 HydrophobicContact CE3-CB 4.45Å; W256-F320 AromaticContact CE3-CD1 3.72Å; W256-F320 HydrophobicContact CE3-CD1 3.72Å; W256-F320 HydrophobicContact CE3-CE1 4.05Å; W256-F320 HydrophobicContact CE3-CG 4.02Å; W256-F320 HydrophobicContact CZ3-CB 3.92Å; W256-F320 HydrophobicContact CZ3-CD1 4.04Å; W256-F320 AromaticContact CZ3-CG 3.98Å; W256-F320 HydrophobicContact CZ3-CG 3.98Å; W256-F320 WeakPolarHBondContact O-CZ 3.35Å; I257-F320 HydrophobicContact CD1-CE2 4Å; I257-F320 HydrophobicContact CD1-CZ 4.11Å; I257-F320 HydrophobicContact CG1-CE2 4.15Å; I257-F320 HydrophobicContact CG1-CZ 3.74Å; F281-F320 HydrophobicContact CE2-CE2 4.04Å; F281-F320 AromaticContact CZ-CD2 3.88Å; F281-F320 HydrophobicContact CZ-CD2 3.88Å; F281-F320 AromaticContact CZ-CE2 3.59Å; F281-F320 HydrophobicContact CZ-CE2 3.59Å; R301-F320 WeakPolarHBondContact O-CA 3.37Å; V302-F320 HydrophobicContact CG1-CB 4.05Å; V302-F320 HydrophobicContact CG1-CD2 4.2Å; W317-F320 HydrophobicContact CB-CB 3.8Å; W317-F320 HydrophobicContact CG-CB 4.46Å; F320-I438 WeakPolarHBondContact O-CD1 3.12Å; F320-P442 HydrophobicContact CD1-CB 3.74Å; F320-P442 HydrophobicContact CE1-CB 3.85Å
321	L	98.3	Very high	95	Very high	1 Å²	1	32 Å²	32	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	147.4	168.8	-64.8	175.4	0	0	0	110.4	A300 R301 T319 F386 Y390 I438 P442 M444	A300-L321 CarbonylContact C-O 3.51Å; A300-L321 WeakPolarHBondContact CA-O 3.27Å; A300-L321 VanDerWaalsContact CB-O 3.23Å; A300-L321 WeakPolarHBondContact CB-O 3.46Å; R301-L321 PolarHBondContact N-O 2.75Å; R301-L321 PolarHBondContact O-N 3.1Å; R301-L321 VanDerWaalsContact O-N 3.16Å; T319-L321 PolarHBondContact O-N 2.65Å; L321-F386 HydrophobicContact CB-CD1 3.8Å; L321-F386 HydrophobicContact CB-CE1 3.89Å; L321-F386 HydrophobicContact CD1-CD1 4.43Å; L321-F386 WeakPolarHBondContact O-CE1 3.38Å; L321-Y390 HydrophobicContact CD1-CE1 4.23Å; L321-Y390 HydrophobicContact CD2-CD1 4.25Å; L321-Y390 HydrophobicContact CD2-CE1 3.81Å; L321-I438 HydrophobicContact CD2-CD1 4.19Å; L321-I438 HydrophobicContact CD2-CG1 4.12Å; L321-I438 HydrophobicContact CG-CD1 4.49Å; L321-P442 CarbonylContact C-O 3.47Å; L321-P442 WeakPolarHBondContact CA-O 3.23Å; L321-M444 HydrophobicContact CB-SD 4.22Å; L321-M444 HydrophobicContact CD1-SD 3.91Å; L321-M444 HydrophobicContact CD2-SD 4.07Å; L321-M444 HydrophobicContact CG-SD 4.3Å
322	K	98	Very high	94.5	Very high	4 Å²	4	30 Å²	30	2%	0.017	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	147.8	173.1	70.9	-178.9	177.7	-173.9	0	112.8	Y255 W256 F283 E285 V299 A300 P442 L443 M444	Y255-K322 WeakPolarHBondContact O-CE 3.32Å; Y255-K322 PolarHBondContact O-NZ 3.33Å; W256-K322 WeakPolarHBondContact O-CE 3.09Å; W256-K322 PolarHBondContact O-NZ 2.82Å; F283-K322 HydrophobicContact CZ-CD 4.14Å; E285-K322 VanDerWaalsContact OE1-CE 3.32Å; E285-K322 WeakPolarHBondContact OE1-CE 3.45Å; E285-K322 IonicContact OE1-NZ 3.59Å; E285-K322 PolarHBondContact OE1-NZ 2.74Å; E285-K322 IonicContact OE2-NZ 2.81Å; E285-K322 PolarHBondContact OE2-NZ 3.23Å; V299-K322 CarbonylContact O-C 3.57Å; V299-K322 WeakPolarHBondContact O-CA 3.49Å; A300-K322 HydrophobicContact CB-CB 3.78Å; K322-P442 PolarHBondContact N-O 3.13Å; K322-L443 HydrophobicContact CG-CD1 4.03Å; K322-L443 WeakPolarHBondContact O-CA 3.3Å; K322-M444 WeakPolarHBondContact O-CG 3.44Å; K322-M444 PolarHBondContact O-N 3.33Å
323	A	98.2	Very high	94	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	152.6	174.5	0	0	0	0	0	110.3	R298 V299 A385 F386 M444 V448	R298-A323 VanDerWaalsContact CA-O 3.28Å; R298-A323 WeakPolarHBondContact CA-O 3.5Å; V299-A323 HydrophobicContact CG1-CB 4.34Å; V299-A323 PolarHBondContact N-O 2.9Å; V299-A323 PolarHBondContact O-N 2.93Å; A323-A385 HydrophobicContact CB-CB 4.25Å; A323-F386 HydrophobicContact CB-CE1 4.2Å; A323-F386 HydrophobicContact CB-CZ 4.37Å; A323-M444 HydrophobicContact CB-CB 4.04Å; A323-M444 HydrophobicContact CB-CG 4.12Å; A323-V448 HydrophobicContact CB-CG2 4.42Å
324	R	97.7	Very high	93.2	Very high	52 Å²	52	37.3 Å²	37.3	20%	0.196	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	135.6	174.6	-175.3	-178.6	-179.6	-173.1	0.8	110.3	S297 V326 D340 V448	S297-R324 WeakPolarHBondContact O-CA 3.4Å; R324-V326 HydrophobicContact CG-CG2 4.01Å; R324-D340 IonicContact CZ-OD1 2.77Å; R324-D340 IonicContact NE-OD1 2.72Å; R324-D340 IonicContact NH2-OD1 3.6Å; R324-D340 PolarHBondContact NH2-OD1 2.61Å; R324-D340 IonicContact NH2-OD2 3.43Å; R324-V448 PolarHBondContact O-N 3.32Å
325	L	98.2	Very high	92.8	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-94.2	131	160.5	-74.4	166.5	0	0	0	108.5	F282 S297 V299 F362 Y377 V448	F282-L325 HydrophobicContact CD1-CD1 3.81Å; F282-L325 HydrophobicContact CE1-CD1 4.15Å; S297-L325 PolarHBondContact O-N 2.79Å; V299-L325 HydrophobicContact CB-CD1 4.1Å; V299-L325 HydrophobicContact CB-CG 4.23Å; V299-L325 HydrophobicContact CG1-CD2 4.24Å; V299-L325 HydrophobicContact CG1-CG 4.16Å; L325-F362 HydrophobicContact CB-CE1 4.46Å; L325-F362 HydrophobicContact CB-CZ 4.39Å; L325-Y377 HydrophobicContact CD2-CD1 4.01Å; L325-Y377 HydrophobicContact CD2-CD2 4.25Å; L325-Y377 HydrophobicContact CD2-CE1 3.89Å; L325-Y377 HydrophobicContact CD2-CE2 4.14Å; L325-Y377 HydrophobicContact CD2-CG 4.18Å; L325-V448 HydrophobicContact CD2-CB 3.81Å; L325-V448 HydrophobicContact CD2-CG1 3.88Å
326	V	97.6	Very high	92.6	Very high	1 Å²	1	37 Å²	37	1%	0.006	23%	0.227	C	C	.	.			trans	-113.6	121.9	178.7	-179.8	0	0	0	0	109.3	R324 Y377 V448 Y449 P450	R324-V326 HydrophobicContact CG-CG2 4.01Å; V326-Y377 PolarHBondContact O-OH 2.89Å; V326-Y377 VanDerWaalsContact O-OH 3.11Å; V326-V448 PolarHBondContact N-O 3.33Å; V326-Y449 HydrophobicContact CB-CD1 4.08Å; V326-Y449 HydrophobicContact CB-CE1 4.04Å; V326-Y449 HydrophobicContact CG1-CD1 4.09Å; V326-Y449 HydrophobicContact CG1-CE1 3.81Å; V326-Y449 HydrophobicContact CG2-CE1 4.3Å; V326-P450 WeakPolarHBondContact O-CD 3.37Å
327	C	97.4	Very high	92.4	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.007	24%	0.235	C	C	.	.			trans	-120.6	108.5	166.8	-168	0	0	0	0	108	F339 F362 C375	C327-F339 HydrophobicContact CB-CB 4.44Å; C327-F339 PolarHBondContact O-N 2.87Å; C327-F362 HydrophobicContact CB-CB 4.35Å; C327-F362 HydrophobicContact CB-CD1 4.06Å; C327-F362 HydrophobicContact CB-CD2 3.62Å; C327-F362 HydrophobicContact CB-CE1 4.25Å; C327-F362 HydrophobicContact CB-CE2 3.86Å; C327-F362 HydrophobicContact CB-CG 3.75Å; C327-F362 HydrophobicContact CB-CZ 4.18Å; C327-C375 WeakPolarHBondContact CA-SG 3.26Å; C327-C375 HydrophobicContact CB-CB 3.81Å; C327-C375 WeakPolarHBondContact CB-SG 3.46Å; C327-C375 WeakPolarHBondContact SG-CB 3.4Å; C327-C375 CovalentContact SG-SG 2.04Å; C327-C375 PolarHBondContact SG-SG 3.2Å
328	S	95.1	Very high	92.2	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.014	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	154	-179.1	53	0	0	0	0	112.6	D336 T337 H338 P455	S328-D336 WeakPolarHBondContact CB-OD2 3.37Å; S328-D336 PolarHBondContact OG-OD2 2.76Å; S328-T337 CarbonylContact C-O 3.6Å; S328-T337 VanDerWaalsContact CA-O 3.25Å; S328-T337 WeakPolarHBondContact CA-O 3.48Å; S328-H338 WeakPolarHBondContact CB-ND1 3.38Å; S328-P455 WeakPolarHBondContact O-CD 3.44Å
329	I	92	Very high	92.1	Very high	52 Å²	52	41 Å²	41	27%	0.267	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	123.4	169.2	-58.4	165.1	0	0	0	107.2	G331 T337 F339 P455 T458	I329-G331 PolarHBondContact O-N 2.83Å; I329-T337 PolarHBondContact N-O 3.39Å; I329-T337 PolarHBondContact O-N 3.28Å; I329-F339 HydrophobicContact CD1-CE2 3.71Å; I329-F339 HydrophobicContact CD1-CZ 3.93Å; I329-F339 HydrophobicContact CG1-CE2 3.97Å; I329-P455 HydrophobicContact CG1-CG 3.89Å; I329-T458 HydrophobicContact CD1-CG2 3.86Å
330	P	88.3	Confident	92	Very high	73 Å²	73	42 Å²	42	47%	0.474	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-67.6	126.9	178	26.9	-33.5	0	0	0	111	D336	P330-D336 WeakPolarHBondContact CA-OD1 3.39Å
331	G	83.6	Confident	92	Very high	19 Å²	19	43.5 Å²	43.5	20%	0.196	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-81	153.5	179.3	0	0	0	0	0	113.2	I329 D333 G334 V335	I329-G331 PolarHBondContact O-N 2.83Å; G331-D333 PolarHBondContact O-N 3.18Å; G331-G334 PolarHBondContact O-N 2.9Å; G331-V335 VanDerWaalsContact CA-O 3.28Å; G331-V335 WeakPolarHBondContact CA-O 3.24Å; G331-V335 PolarHBondContact N-O 2.91Å
332	P	81.3	Confident	92	Very high	134 Å²	134	43.4 Å²	43.4	87%	0.87	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-29.5	179.2	27.3	-35.1	0	0	0	112.9	G334	P332-G334 VanDerWaalsContact C-N 3.27Å; P332-G334 PolarHBondContact O-N 2.95Å
333	D	80.9	Confident	92	Very high	152 Å²	152	45.5 Å²	45.5	81%	0.813	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	10.8	176.2	-52.7	-67.3	0	0	0	113	G331 V335	G331-D333 PolarHBondContact O-N 3.18Å; D333-V335 VanDerWaalsContact C-N 3.31Å; D333-V335 PolarHBondContact O-N 2.87Å
334	G	78.4	Confident	92	Very high	67 Å²	67	46.7 Å²	46.7	69%	0.691	28%	0.278	S	S	*	.	S	Bend	trans	76.6	11.4	-177.3	0	0	0	0	0	115.1	G331 P332	G331-G334 PolarHBondContact O-N 2.9Å; P332-G334 VanDerWaalsContact C-N 3.27Å; P332-G334 PolarHBondContact O-N 2.95Å
335	V	85.3	Confident	92	Very high	107 Å²	107	44.6 Å²	44.6	65%	0.648	27%	0.271	S	S	*	.			trans	-103.6	112.4	176.7	-178.3	0	0	0	0	110.1	G331 D333	G331-V335 VanDerWaalsContact CA-O 3.28Å; G331-V335 WeakPolarHBondContact CA-O 3.24Å; G331-V335 PolarHBondContact N-O 2.91Å; D333-V335 VanDerWaalsContact C-N 3.31Å; D333-V335 PolarHBondContact O-N 2.87Å
336	D	89.4	Confident	92	Very high	61 Å²	61	46.2 Å²	46.2	33%	0.326	28%	0.278	S	S	.	.			trans	-66.9	135.3	179.1	-90.9	38.4	0	0	0	113	S328 P330	S328-D336 WeakPolarHBondContact CB-OD2 3.37Å; S328-D336 PolarHBondContact OG-OD2 2.76Å; P330-D336 WeakPolarHBondContact CA-OD1 3.39Å
337	T	90.8	Very high	92	Very high	62 Å²	62	47.7 Å²	47.7	38%	0.38	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	101.7	167.2	-60	0	0	0	0	109.1	S328 I329 F339	S328-T337 CarbonylContact C-O 3.6Å; S328-T337 VanDerWaalsContact CA-O 3.25Å; S328-T337 WeakPolarHBondContact CA-O 3.48Å; I329-T337 PolarHBondContact N-O 3.39Å; I329-T337 PolarHBondContact O-N 3.28Å; T337-F339 HydrophobicContact CG2-CE2 4.31Å
338	H	92.8	Very high	92	Very high	71 Å²	71	48 Å²	48	33%	0.329	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	147.8	-177.7	-65.5	-83.9	0	0	0	114.2	S328 D340	S328-H338 WeakPolarHBondContact CB-ND1 3.38Å; H338-D340 WeakPolarHBondContact CB-OD2 3.34Å; H338-D340 IonicContact CG-OD2 3.05Å
339	F	96	Very high	92	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	31%	0.313	C	S	.	.			trans	-119.3	76.1	170.2	-58.8	-105.7	0	0	0	107.6	C327 I329 T337 E341 F362 S363 T364 A373	C327-F339 HydrophobicContact CB-CB 4.44Å; C327-F339 PolarHBondContact O-N 2.87Å; I329-F339 HydrophobicContact CD1-CE2 3.71Å; I329-F339 HydrophobicContact CD1-CZ 3.93Å; I329-F339 HydrophobicContact CG1-CE2 3.97Å; T337-F339 HydrophobicContact CG2-CE2 4.31Å; F339-E341 PolarHBondContact O-N 2.72Å; F339-F362 HydrophobicContact CB-CB 3.63Å; F339-F362 VanDerWaalsContact O-CB 3.31Å; F339-F362 WeakPolarHBondContact O-CB 3.33Å; F339-F362 WeakPolarHBondContact O-CD1 3.34Å; F339-S363 CarbonylContact C-O 3.56Å; F339-S363 VanDerWaalsContact C-O 3.27Å; F339-S363 WeakPolarHBondContact CA-O 3.28Å; F339-T364 HydrophobicContact CD1-CG2 3.63Å; F339-T364 HydrophobicContact CE1-CG2 3.76Å; F339-T364 HydrophobicContact CG-CG2 4.26Å; F339-T364 HydrophobicContact CZ-CG2 4.47Å; F339-A373 HydrophobicContact CB-CB 4.31Å; F339-A373 HydrophobicContact CD1-CB 3.62Å; F339-A373 HydrophobicContact CD2-CB 3.88Å; F339-A373 HydrophobicContact CE1-CB 3.8Å; F339-A373 HydrophobicContact CE2-CB 4.07Å; F339-A373 HydrophobicContact CG-CB 3.68Å; F339-A373 HydrophobicContact CZ-CB 4.03Å
340	D	95.3	Very high	92.1	Very high	21 Å²	21	51.7 Å²	51.7	11%	0.112	31%	0.314	C	S	.	.			trans	-82	-3.8	-171.4	-69.1	-69.8	0	0	0	115.1	I295 L296 S297 R324 H338 S363	I295-D340 VanDerWaalsContact O-CB 3.25Å; I295-D340 WeakPolarHBondContact O-CB 3.38Å; L296-D340 HydrophobicContact CD2-CB 4.39Å; S297-D340 PolarHBondContact N-O 3.08Å; S297-D340 PolarHBondContact OG-O 2.95Å; R324-D340 IonicContact CZ-OD1 2.77Å; R324-D340 IonicContact NE-OD1 2.72Å; R324-D340 IonicContact NH2-OD1 3.6Å; R324-D340 PolarHBondContact NH2-OD1 2.61Å; R324-D340 IonicContact NH2-OD2 3.43Å; H338-D340 WeakPolarHBondContact CB-OD2 3.34Å; H338-D340 IonicContact CG-OD2 3.05Å; D340-S363 PolarHBondContact N-O 2.81Å
341	E	96.8	Very high	92.2	Very high	32 Å²	32	60.5 Å²	60.5	15%	0.15	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	91.1	177.7	-72.7	-159.8	-126.1	0	0	113.5	R284 I295 F339 Q343 F362 S363 S365	R284-E341 IonicContact CZ-OE2 3.83Å; R284-E341 IonicContact NE-OE2 2.86Å; R284-E341 PolarHBondContact NE-OE2 2.85Å; R284-E341 IonicContact NH2-OE2 3.3Å; R284-E341 PolarHBondContact NH2-OE2 2.85Å; I295-E341 HydrophobicContact CB-CG 4.3Å; I295-E341 HydrophobicContact CD1-CG 4.25Å; I295-E341 HydrophobicContact CG2-CG 3.91Å; F339-E341 PolarHBondContact O-N 2.72Å; E341-Q343 PolarHBondContact O-N 2.82Å; E341-Q343 PolarHBondContact O-NE2 2.7Å; E341-F362 CarbonylContact O-C 3.41Å; E341-F362 VanDerWaalsContact O-CA 3.32Å; E341-F362 WeakPolarHBondContact O-CA 3.5Å; E341-S363 PolarHBondContact N-O 3.22Å; E341-S363 PolarHBondContact O-N 2.75Å; E341-S365 WeakPolarHBondContact OE1-CA 3.26Å
342	L	98.4	Very high	92.6	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	125.6	169.2	179.7	73	0	0	0	111.8	I263 F282 R284 S297 V345 A360 F362	I263-L342 HydrophobicContact CB-CD2 4.16Å; I263-L342 WeakPolarHBondContact CD1-O 3Å; I263-L342 HydrophobicContact CG1-CD2 3.96Å; I263-L342 HydrophobicContact CG1-CG 4.09Å; I263-L342 HydrophobicContact CG2-CD2 4.37Å; I263-L342 HydrophobicContact CG2-CG 4.38Å; F282-L342 HydrophobicContact CB-CD2 3.87Å; R284-L342 WeakPolarHBondContact CD-O 3.49Å; R284-L342 PolarHBondContact NH1-O 3.05Å; S297-L342 WeakPolarHBondContact OG-CB 3.14Å; S297-L342 PolarHBondContact OG-N 2.88Å; L342-V345 HydrophobicContact CD1-CG2 3.68Å; L342-V345 HydrophobicContact CD2-CG2 3.83Å; L342-V345 HydrophobicContact CG-CG2 4.18Å; L342-A360 HydrophobicContact CD1-CB 3.72Å; L342-F362 HydrophobicContact CB-CD1 4.01Å; L342-F362 HydrophobicContact CB-CE1 3.89Å; L342-F362 HydrophobicContact CD1-CD1 4.23Å; L342-F362 HydrophobicContact CD1-CE1 3.79Å; L342-F362 HydrophobicContact CD1-CE2 4.11Å; L342-F362 HydrophobicContact CD1-CZ 3.71Å; L342-F362 HydrophobicContact CG-CE1 4.45Å
343	Q	97.7	Very high	93	Very high	47 Å²	47	64.1 Å²	64.1	22%	0.22	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-38.1	177.9	-52.9	-57.9	-19.7	0	0	113.3	I263 R284 E341 V361 S363	I263-Q343 WeakPolarHBondContact CG2-O 3.4Å; R284-Q343 VanDerWaalsContact CZ-OE1 3.27Å; R284-Q343 VanDerWaalsContact NH2-NE2 3.19Å; E341-Q343 PolarHBondContact O-N 2.82Å; E341-Q343 PolarHBondContact O-NE2 2.7Å; Q343-V361 HydrophobicContact CB-CG1 4.15Å; Q343-V361 PolarHBondContact N-O 3.15Å; Q343-S363 PolarHBondContact NE2-OG 3.23Å
344	D	98.3	Very high	93.6	Very high	25 Å²	25	58.2 Å²	58.2	13%	0.134	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	157.3	-179.5	-167.4	19.3	0	0	0	112.6	I263 A360 V361 T467 H468 I469	I263-D344 VanDerWaalsContact CG2-CA 3.43Å; D344-A360 CarbonylContact O-C 3.59Å; D344-A360 WeakPolarHBondContact O-CA 3.43Å; D344-V361 HydrophobicContact CB-CB 4.47Å; D344-V361 PolarHBondContact O-N 2.98Å; D344-T467 WeakPolarHBondContact CB-O 3.29Å; D344-H468 WeakPolarHBondContact OD2-CA 3.22Å; D344-H468 WeakPolarHBondContact OD2-CB 3.35Å; D344-H468 IonicContact OD2-CD2 2.75Å; D344-H468 IonicContact OD2-CG 2.66Å; D344-I469 HydrophobicContact CB-CG2 4.29Å; D344-I469 PolarHBondContact OD2-N 2.74Å
345	V	98.5	Very high	94.4	Very high	8 Å²	8	57.8 Å²	57.8	5%	0.048	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	124.5	-179.8	178.6	0	0	0	0	111.4	I263 F282 L342 L347 V358 Y359 A360	I263-V345 HydrophobicContact CG2-CG2 4.38Å; F282-V345 HydrophobicContact CB-CG2 3.82Å; F282-V345 HydrophobicContact CD1-CG1 4.42Å; F282-V345 HydrophobicContact CD1-CG2 4.12Å; F282-V345 HydrophobicContact CD2-CG1 4.15Å; F282-V345 HydrophobicContact CE1-CG1 4.5Å; F282-V345 HydrophobicContact CE2-CG1 4.24Å; F282-V345 HydrophobicContact CG-CB 4.47Å; F282-V345 HydrophobicContact CG-CG1 4.24Å; F282-V345 HydrophobicContact CG-CG2 3.93Å; F282-V345 HydrophobicContact CZ-CG1 4.41Å; L342-V345 HydrophobicContact CD1-CG2 3.68Å; L342-V345 HydrophobicContact CD2-CG2 3.83Å; L342-V345 HydrophobicContact CG-CG2 4.18Å; V345-L347 HydrophobicContact CG1-CD2 4.39Å; V345-V358 HydrophobicContact CG1-CG1 3.76Å; V345-Y359 CarbonylContact C-O 3.57Å; V345-Y359 WeakPolarHBondContact CA-O 3.46Å; V345-A360 HydrophobicContact CG2-CB 4.08Å
346	F	98.3	Very high	95	Very high	36 Å²	36	53.2 Å²	53.2	16%	0.158	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	130.4	173.7	-174.9	-96.7	0	0	0	111.2	L348 Y359 I469 V470 V471 I528	F346-L348 HydrophobicContact CD1-CB 4.22Å; F346-L348 HydrophobicContact CE1-CB 4.04Å; F346-L348 HydrophobicContact CE1-CD1 4.12Å; F346-Y359 PolarHBondContact N-O 3.04Å; F346-Y359 PolarHBondContact O-N 3.05Å; F346-I469 HydrophobicContact CB-CG2 4.06Å; F346-V470 HydrophobicContact CD2-CB 3.99Å; F346-V470 HydrophobicContact CD2-CG1 3.89Å; F346-V470 HydrophobicContact CE2-CB 3.86Å; F346-V470 HydrophobicContact CE2-CG1 3.94Å; F346-V470 HydrophobicContact CZ-CB 4.46Å; F346-V471 HydrophobicContact CD1-CB 3.83Å; F346-V471 HydrophobicContact CD1-CG2 3.86Å; F346-V471 HydrophobicContact CE1-CB 3.78Å; F346-V471 HydrophobicContact CE1-CG2 4.32Å; F346-V471 WeakPolarHBondContact CE1-O 3.43Å; F346-V471 WeakPolarHBondContact CZ-O 3.36Å; F346-I528 HydrophobicContact CE2-CG2 4.15Å; F346-I528 HydrophobicContact CZ-CG2 4.2Å
347	L	97.8	Very high	95.4	Very high	31 Å²	31	52.1 Å²	52.1	16%	0.162	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	100.1	174.7	-63.2	-170.6	0	0	0	110.1	H266 I268 V345 P349 P356 V358	H266-L347 HydrophobicContact CB-CD1 3.57Å; I268-L347 HydrophobicContact CD1-CD1 3.86Å; I268-L347 HydrophobicContact CG1-CD1 4.37Å; V345-L347 HydrophobicContact CG1-CD2 4.39Å; L347-P349 VanDerWaalsContact O-CD 3.26Å; L347-P349 WeakPolarHBondContact O-CD 3.18Å; L347-P356 HydrophobicContact CB-CB 4.1Å; L347-P356 HydrophobicContact CD1-CG 4.36Å; L347-P356 HydrophobicContact CD2-CG 4.47Å; L347-V358 HydrophobicContact CD2-CB 4.18Å; L347-V358 HydrophobicContact CD2-CG1 4Å; L347-V358 HydrophobicContact CD2-CG2 3.77Å
348	L	96.8	Very high	95.8	Very high	7 Å²	7	49.1 Å²	49.1	4%	0.037	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	115.3	176	179.8	63.2	0	0	0	109.6	F346 P356 I357 Y359 V471 R473 E482	F346-L348 HydrophobicContact CD1-CB 4.22Å; F346-L348 HydrophobicContact CE1-CB 4.04Å; F346-L348 HydrophobicContact CE1-CD1 4.12Å; L348-P356 WeakPolarHBondContact O-CA 3.15Å; L348-I357 HydrophobicContact CB-CB 4.38Å; L348-I357 PolarHBondContact N-O 2.9Å; L348-I357 PolarHBondContact O-N 3.12Å; L348-Y359 HydrophobicContact CB-CD2 4.17Å; L348-Y359 HydrophobicContact CB-CE2 4.35Å; L348-Y359 HydrophobicContact CD2-CD2 4.45Å; L348-Y359 HydrophobicContact CD2-CE2 3.84Å; L348-V471 HydrophobicContact CD1-CB 4.47Å; L348-V471 HydrophobicContact CD2-CG1 4.07Å; L348-R473 VanDerWaalsContact CD2-NH2 3.34Å; L348-E482 HydrophobicContact CD2-CB 4.49Å; L348-E482 HydrophobicContact CD2-CG 4.08Å; L348-E482 VanDerWaalsContact CD2-OE1 3.31Å; L348-E482 WeakPolarHBondContact CD2-OE1 3.46Å
349	P	94.6	Very high	96	Very high	85 Å²	85	46.4 Å²	46.4	55%	0.552	22%	0.223	S	C	*	.			trans	-64.2	151.4	-177.1	-22.6	35.3	0	0	0	112.3	L347 R473	L347-P349 VanDerWaalsContact O-CD 3.26Å; L347-P349 WeakPolarHBondContact O-CD 3.18Å; P349-R473 PolarHBondContact O-NH1 2.93Å
350	T	94.1	Very high	96.2	Very high	48 Å²	48	46.4 Å²	46.4	29%	0.294	22%	0.223	S	C	.	.			trans	-118.9	-165.5	170.4	76.7	0	0	0	0	110.3	D352 N355 I357	T350-D352 PolarHBondContact O-N 3.39Å; T350-D352 PolarHBondContact OG1-N 3.1Å; T350-D352 PolarHBondContact OG1-O 3.46Å; T350-D352 VanDerWaalsContact OG1-O 3.11Å; T350-N355 WeakPolarHBondContact CB-O 3.3Å; T350-N355 WeakPolarHBondContact CG2-O 3.48Å; T350-N355 PolarHBondContact OG1-O 3.35Å; T350-I357 HydrophobicContact CG2-CD1 4.16Å; T350-I357 HydrophobicContact CG2-CG1 3.88Å
351	R	91.5	Very high	96.3	Very high	257 Å²	257	45.4 Å²	45.4	97%	0.97	22%	0.218	S	C	*	.	S	Bend	trans	-74.1	-12.1	173.8	-64.1	-176.3	-176.3	173.7	2.9	113.2
352	D	92.7	Very high	96.4	Very high	47 Å²	47	43.9 Å²	43.9	25%	0.251	21%	0.211	S	C	.	.	S	Bend	trans	-118.6	112.9	170.5	179.7	14.1	0	0	0	108.6	T350 K354 N355	T350-D352 PolarHBondContact O-N 3.39Å; T350-D352 PolarHBondContact OG1-N 3.1Å; T350-D352 PolarHBondContact OG1-O 3.46Å; T350-D352 VanDerWaalsContact OG1-O 3.11Å; D352-K354 PolarHBondContact O-N 3.36Å; D352-K354 VanDerWaalsContact O-N 3.13Å; D352-K354 WeakPolarHBondContact OD1-CE 3.32Å; D352-K354 PolarHBondContact OD1-N 3.31Å; D352-K354 IonicContact OD1-NZ 2.74Å; D352-K354 WeakPolarHBondContact OD2-CE 3.39Å; D352-K354 IonicContact OD2-NZ 2.79Å; D352-N355 HydrophobicContact CB-CB 4.37Å; D352-N355 CarbonylContact O-C 3.58Å; D352-N355 WeakPolarHBondContact O-CA 3.43Å; D352-N355 PolarHBondContact O-N 2.98Å; D352-N355 PolarHBondContact OD2-ND2 3.02Å
353	E	89.3	Confident	96.3	Very high	182 Å²	182	44.6 Å²	44.6	85%	0.85	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-20.6	-177.7	-63.1	176.3	170.1	0	0	112.6	N355	E353-N355 VanDerWaalsContact C-N 3.27Å; E353-N355 PolarHBondContact O-N 3.4Å
354	K	92.9	Very high	96.1	Very high	29 Å²	29	43.1 Å²	43.1	13%	0.126	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-11.1	172.8	-58.8	170.8	-71.4	149.5	0	113.2	A269 T271 Y272 D352 P356 R383	A269-K354 HydrophobicContact CB-CG 4.2Å; A269-K354 WeakPolarHBondContact O-CB 3.02Å; A269-K354 WeakPolarHBondContact O-CG 3.18Å; T271-K354 WeakPolarHBondContact O-CD 3.37Å; Y272-K354 HydrophobicContact CD1-CD 4.48Å; Y272-K354 HydrophobicContact CE1-CD 4.46Å; Y272-K354 PolarHBondContact OH-NZ 2.86Å; D352-K354 PolarHBondContact O-N 3.36Å; D352-K354 VanDerWaalsContact O-N 3.13Å; D352-K354 WeakPolarHBondContact OD1-CE 3.32Å; D352-K354 PolarHBondContact OD1-N 3.31Å; D352-K354 IonicContact OD1-NZ 2.74Å; D352-K354 WeakPolarHBondContact OD2-CE 3.39Å; D352-K354 IonicContact OD2-NZ 2.79Å; K354-P356 VanDerWaalsContact C-CD 3.4Å; K354-R383 PolarHBondContact O-NH1 3.24Å; K354-R383 PolarHBondContact O-NH2 3.28Å
355	N	95.9	Very high	95.6	Very high	57 Å²	57	44.6 Å²	44.6	31%	0.305	22%	0.222	S	C	.	.			trans	-129.8	62.5	-177.3	-72.1	-65.4	0	0	0	111.4	T350 D352 E353 R383	T350-N355 WeakPolarHBondContact CB-O 3.3Å; T350-N355 WeakPolarHBondContact CG2-O 3.48Å; T350-N355 PolarHBondContact OG1-O 3.35Å; D352-N355 HydrophobicContact CB-CB 4.37Å; D352-N355 CarbonylContact O-C 3.58Å; D352-N355 WeakPolarHBondContact O-CA 3.43Å; D352-N355 PolarHBondContact O-N 2.98Å; D352-N355 PolarHBondContact OD2-ND2 3.02Å; E353-N355 VanDerWaalsContact C-N 3.27Å; E353-N355 PolarHBondContact O-N 3.4Å; N355-R383 PolarHBondContact OD1-NH1 3.35Å
356	P	97.1	Very high	94.7	Very high	12 Å²	12	46.9 Å²	46.9	8%	0.078	24%	0.239	C	C	.	.			trans	-63.9	157.5	163.3	30.6	-36.2	0	0	0	110.9	I268 L347 L348 K354 M379	I268-P356 HydrophobicContact CD1-CG 4.28Å; L347-P356 HydrophobicContact CB-CB 4.1Å; L347-P356 HydrophobicContact CD1-CG 4.36Å; L347-P356 HydrophobicContact CD2-CG 4.47Å; L348-P356 WeakPolarHBondContact O-CA 3.15Å; K354-P356 VanDerWaalsContact C-CD 3.4Å; P356-M379 HydrophobicContact CG-CG 3.86Å
357	I	97.8	Very high	93.5	Very high	37 Å²	37	50.5 Å²	50.5	19%	0.19	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	126.9	168.4	-62.9	173.3	0	0	0	107.6	L348 T350 Y359 V376	L348-I357 HydrophobicContact CB-CB 4.38Å; L348-I357 PolarHBondContact N-O 2.9Å; L348-I357 PolarHBondContact O-N 3.12Å; T350-I357 HydrophobicContact CG2-CD1 4.16Å; T350-I357 HydrophobicContact CG2-CG1 3.88Å; I357-Y359 HydrophobicContact CG2-CD2 3.92Å; I357-Y359 HydrophobicContact CG2-CE2 3.7Å; I357-Y359 PolarHBondContact O-N 3.37Å; I357-V376 HydrophobicContact CG2-CG1 3.26Å
358	V	98.6	Very high	92.5	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	102.5	-175.5	-171.4	0	0	0	0	109	F282 V345 L347 V376 Y377 M379 I382	F282-V358 HydrophobicContact CE1-CG1 3.98Å; F282-V358 HydrophobicContact CZ-CG1 3.98Å; V345-V358 HydrophobicContact CG1-CG1 3.76Å; L347-V358 HydrophobicContact CD2-CB 4.18Å; L347-V358 HydrophobicContact CD2-CG1 4Å; L347-V358 HydrophobicContact CD2-CG2 3.77Å; V358-V376 CarbonylContact O-C 3.58Å; V358-V376 WeakPolarHBondContact O-CA 3.3Å; V358-Y377 PolarHBondContact N-O 3.04Å; V358-Y377 PolarHBondContact O-N 2.66Å; V358-M379 HydrophobicContact CG2-CG 4.26Å; V358-M379 HydrophobicContact CG2-SD 3.86Å; V358-I382 HydrophobicContact CG2-CD1 3.81Å
359	Y	98.7	Very high	91.8	Very high	13 Å²	13	60.2 Å²	60.2	5%	0.051	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	135.5	169.5	-86.2	-98.9	0	0	0	109.7	V345 F346 L348 I357 V374 V376 V456 I469 V471 E482 M484	V345-Y359 CarbonylContact C-O 3.57Å; V345-Y359 WeakPolarHBondContact CA-O 3.46Å; F346-Y359 PolarHBondContact N-O 3.04Å; F346-Y359 PolarHBondContact O-N 3.05Å; L348-Y359 HydrophobicContact CB-CD2 4.17Å; L348-Y359 HydrophobicContact CB-CE2 4.35Å; L348-Y359 HydrophobicContact CD2-CD2 4.45Å; L348-Y359 HydrophobicContact CD2-CE2 3.84Å; I357-Y359 HydrophobicContact CG2-CD2 3.92Å; I357-Y359 HydrophobicContact CG2-CE2 3.7Å; I357-Y359 PolarHBondContact O-N 3.37Å; Y359-V374 HydrophobicContact CD1-CG1 3.99Å; Y359-V376 HydrophobicContact CD1-CG2 3.66Å; Y359-V376 HydrophobicContact CD2-CG1 4.21Å; Y359-V376 HydrophobicContact CE1-CG2 3.47Å; Y359-V376 VanDerWaalsContact CE1-CG2 3.47Å; Y359-V376 HydrophobicContact CE2-CG1 3.99Å; Y359-V376 HydrophobicContact CE2-CG2 4.35Å; Y359-V376 HydrophobicContact CG-CG2 4.19Å; Y359-V456 HydrophobicContact CE1-CG2 4.44Å; Y359-I469 HydrophobicContact CD1-CD1 3.92Å; Y359-I469 HydrophobicContact CG-CD1 4.42Å; Y359-V471 HydrophobicContact CD1-CG2 3.78Å; Y359-V471 HydrophobicContact CD2-CG2 4.1Å; Y359-V471 HydrophobicContact CE1-CG2 4.16Å; Y359-V471 HydrophobicContact CE2-CG1 4.36Å; Y359-V471 HydrophobicContact CE2-CG2 4.46Å; Y359-V471 HydrophobicContact CG-CG2 3.74Å; Y359-E482 PolarHBondContact OH-OE2 3.25Å; Y359-E482 VanDerWaalsContact OH-OE2 3.07Å; Y359-M484 HydrophobicContact CD1-CG 4.38Å; Y359-M484 HydrophobicContact CD1-SD 4.17Å; Y359-M484 HydrophobicContact CE1-CG 4.04Å; Y359-M484 HydrophobicContact CE1-SD 3.82Å
360	A	98.6	Very high	91.4	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	133	-177.7	0	0	0	0	0	112.6	L342 D344 V345 F362 V374 C375 Y377	L342-A360 HydrophobicContact CD1-CB 3.72Å; D344-A360 CarbonylContact O-C 3.59Å; D344-A360 WeakPolarHBondContact O-CA 3.43Å; V345-A360 HydrophobicContact CG2-CB 4.08Å; A360-F362 HydrophobicContact CB-CD2 4.35Å; A360-F362 HydrophobicContact CB-CE2 3.46Å; A360-F362 VanDerWaalsContact CB-CE2 3.46Å; A360-F362 HydrophobicContact CB-CZ 3.91Å; A360-F362 WeakPolarHBondContact O-CD2 3.35Å; A360-F362 WeakPolarHBondContact O-CE2 3.35Å; A360-V374 WeakPolarHBondContact O-CA 3.1Å; A360-C375 PolarHBondContact N-O 3.33Å; A360-C375 PolarHBondContact O-N 2.93Å; A360-Y377 HydrophobicContact CB-CE2 4.11Å
361	V	98.6	Very high	91.4	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	129.6	176.1	173.5	0	0	0	0	109.2	Q343 D344 V374 L466 I469 L486	Q343-V361 HydrophobicContact CB-CG1 4.15Å; Q343-V361 PolarHBondContact N-O 3.15Å; D344-V361 HydrophobicContact CB-CB 4.47Å; D344-V361 PolarHBondContact O-N 2.98Å; V361-V374 HydrophobicContact CG2-CG2 4.24Å; V361-L466 HydrophobicContact CG1-CB 3.58Å; V361-I469 HydrophobicContact CG2-CB 3.59Å; V361-I469 HydrophobicContact CG2-CD1 4.34Å; V361-I469 HydrophobicContact CG2-CG2 3.6Å; V361-L486 HydrophobicContact CG2-CD2 4.39Å
362	F	98.2	Very high	91.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	155.6	175.2	-60.7	-100.2	0	0	0	110.8	L325 C327 F339 E341 L342 A360 S372 A373 C375 Y377	L325-F362 HydrophobicContact CB-CE1 4.46Å; L325-F362 HydrophobicContact CB-CZ 4.39Å; C327-F362 HydrophobicContact CB-CB 4.35Å; C327-F362 HydrophobicContact CB-CD1 4.06Å; C327-F362 HydrophobicContact CB-CD2 3.62Å; C327-F362 HydrophobicContact CB-CE1 4.25Å; C327-F362 HydrophobicContact CB-CE2 3.86Å; C327-F362 HydrophobicContact CB-CG 3.75Å; C327-F362 HydrophobicContact CB-CZ 4.18Å; F339-F362 HydrophobicContact CB-CB 3.63Å; F339-F362 VanDerWaalsContact O-CB 3.31Å; F339-F362 WeakPolarHBondContact O-CB 3.33Å; F339-F362 WeakPolarHBondContact O-CD1 3.34Å; E341-F362 CarbonylContact O-C 3.41Å; E341-F362 VanDerWaalsContact O-CA 3.32Å; E341-F362 WeakPolarHBondContact O-CA 3.5Å; L342-F362 HydrophobicContact CB-CD1 4.01Å; L342-F362 HydrophobicContact CB-CE1 3.89Å; L342-F362 HydrophobicContact CD1-CD1 4.23Å; L342-F362 HydrophobicContact CD1-CE1 3.79Å; L342-F362 HydrophobicContact CD1-CE2 4.11Å; L342-F362 HydrophobicContact CD1-CZ 3.71Å; L342-F362 HydrophobicContact CG-CE1 4.45Å; A360-F362 HydrophobicContact CB-CD2 4.35Å; A360-F362 HydrophobicContact CB-CE2 3.46Å; A360-F362 VanDerWaalsContact CB-CE2 3.46Å; A360-F362 HydrophobicContact CB-CZ 3.91Å; A360-F362 WeakPolarHBondContact O-CD2 3.35Å; A360-F362 WeakPolarHBondContact O-CE2 3.35Å; F362-S372 CarbonylContact O-C 3.52Å; F362-S372 WeakPolarHBondContact O-CA 3.46Å; F362-S372 WeakPolarHBondContact O-CB 3.35Å; F362-A373 PolarHBondContact N-O 3.25Å; F362-A373 PolarHBondContact O-N 3.5Å; F362-C375 HydrophobicContact CD2-CB 4.2Å; F362-C375 HydrophobicContact CE2-CB 3.84Å; F362-Y377 AromaticContact CE2-CE2 3.88Å; F362-Y377 HydrophobicContact CE2-CE2 3.88Å; F362-Y377 WeakPolarHBondContact CE2-OH 3.49Å; F362-Y377 AromaticContact CZ-CE2 3.88Å; F362-Y377 HydrophobicContact CZ-CE2 3.88Å; F362-Y377 AromaticContact CZ-CZ 3.91Å; F362-Y377 WeakPolarHBondContact CZ-OH 3.3Å
363	S	96.1	Very high	91.8	Very high	16 Å²	16	47.2 Å²	47.2	11%	0.112	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	164.7	162.2	74	0	0	0	0	112	F339 D340 E341 Q343 G371	F339-S363 CarbonylContact C-O 3.56Å; F339-S363 VanDerWaalsContact C-O 3.27Å; F339-S363 WeakPolarHBondContact CA-O 3.28Å; D340-S363 PolarHBondContact N-O 2.81Å; E341-S363 PolarHBondContact N-O 3.22Å; E341-S363 PolarHBondContact O-N 2.75Å; Q343-S363 PolarHBondContact NE2-OG 3.23Å; S363-G371 CarbonylContact C-O 3.58Å; S363-G371 WeakPolarHBondContact CA-O 3.35Å; S363-G371 WeakPolarHBondContact CB-O 3.36Å
364	T	93.4	Very high	92.2	Very high	15 Å²	15	38.6 Å²	38.6	9%	0.092	21%	0.208	C	C	.	.			trans	-71.2	142.7	168.6	50.7	0	0	0	0	110.9	F339 S366 F369 G371	F339-T364 HydrophobicContact CD1-CG2 3.63Å; F339-T364 HydrophobicContact CE1-CG2 3.76Å; F339-T364 HydrophobicContact CG-CG2 4.26Å; F339-T364 HydrophobicContact CZ-CG2 4.47Å; T364-S366 VanDerWaalsContact C-N 3.26Å; T364-S366 PolarHBondContact O-N 3.4Å; T364-F369 WeakPolarHBondContact CB-O 3.29Å; T364-F369 HydrophobicContact CG2-CD1 3.97Å; T364-F369 HydrophobicContact CG2-CE1 4.13Å; T364-F369 PolarHBondContact OG1-O 3.14Å; T364-G371 PolarHBondContact N-O 3.39Å; T364-G371 PolarHBondContact OG1-N 3.45Å; T364-G371 PolarHBondContact OG1-O 3.19Å
365	S	87.5	Confident	92.4	Very high	56 Å²	56	37.2 Å²	37.2	39%	0.392	20%	0.202	S	C	.	.	S	Bend	trans	-80.6	-4.3	173.7	-42.1	0	0	0	0	113.7	E341	E341-S365 WeakPolarHBondContact OE1-CA 3.26Å
366	S	81.2	Confident	92.5	Very high	56 Å²	56	35 Å²	35	39%	0.392	19%	0.19	S	C	.	.			trans	-80.5	121.6	179.3	-177	0	0	0	0	111.1	T364 I368 F369	T364-S366 VanDerWaalsContact C-N 3.26Å; T364-S366 PolarHBondContact O-N 3.4Å; S366-I368 PolarHBondContact O-N 3.32Å; S366-I368 PolarHBondContact OG-N 3.27Å; S366-F369 CarbonylContact O-C 3.56Å; S366-F369 VanDerWaalsContact O-O 3.11Å; S366-F369 PolarHBondContact OG-N 3.31Å
367	S	72.8	Confident	92.6	Very high	112 Å²	112	34.4 Å²	34.4	78%	0.783	19%	0.187	S	C	*	.	S	Bend	trans	-66.8	-20.6	171.8	56.8	0	0	0	0	113.4
368	I	77.4	Confident	92.6	Very high	156 Å²	156	33.8 Å²	33.8	80%	0.8	19%	0.186	S	C	*	.	S	Bend	trans	-87.6	-44.5	-178.9	-55.1	174.9	0	0	0	110.6	S366	S366-I368 PolarHBondContact O-N 3.32Å; S366-I368 PolarHBondContact OG-N 3.27Å
369	F	81.3	Confident	92.5	Very high	87 Å²	87	33.9 Å²	33.9	38%	0.382	19%	0.186	S	C	.	.	S	Bend	trans	-107.2	96.9	179.4	-178.2	-101.4	0	0	0	109.7	T364 S366 V460	T364-F369 WeakPolarHBondContact CB-O 3.29Å; T364-F369 HydrophobicContact CG2-CD1 3.97Å; T364-F369 HydrophobicContact CG2-CE1 4.13Å; T364-F369 PolarHBondContact OG1-O 3.14Å; S366-F369 CarbonylContact O-C 3.56Å; S366-F369 VanDerWaalsContact O-O 3.11Å; S366-F369 PolarHBondContact OG-N 3.31Å; F369-V460 HydrophobicContact CE1-CG1 4.03Å; F369-V460 HydrophobicContact CE2-CB 4.34Å; F369-V460 HydrophobicContact CZ-CB 3.82Å; F369-V460 HydrophobicContact CZ-CG1 3.59Å
370	R	86.4	Confident	92.5	Very high	155 Å²	155	35.9 Å²	35.9	59%	0.585	21%	0.206	S	C	*	.			trans	-78.2	121.1	171.7	-66.3	-174.8	-178.9	-169.4	-2	110.4	R461	R370-R461 PolarHBondContact O-N 2.71Å
371	G	92.9	Very high	92.4	Very high	6 Å²	6	39 Å²	39	6%	0.062	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	153.1	168.7	0	0	0	0	0	111.7	S363 T364 R459	S363-G371 CarbonylContact C-O 3.58Å; S363-G371 WeakPolarHBondContact CA-O 3.35Å; S363-G371 WeakPolarHBondContact CB-O 3.36Å; T364-G371 PolarHBondContact N-O 3.39Å; T364-G371 PolarHBondContact OG1-N 3.45Å; T364-G371 PolarHBondContact OG1-O 3.19Å; G371-R459 CarbonylContact C-O 3.18Å; G371-R459 VanDerWaalsContact CA-O 3.23Å; G371-R459 WeakPolarHBondContact CA-O 3.33Å
372	S	96.4	Very high	92.4	Very high	3 Å²	3	39 Å²	39	2%	0.021	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	150.6	170.3	-62.1	0	0	0	0	110.5	F362 R459 L466	F362-S372 CarbonylContact O-C 3.52Å; F362-S372 WeakPolarHBondContact O-CA 3.46Å; F362-S372 WeakPolarHBondContact O-CB 3.35Å; S372-R459 PolarHBondContact N-O 3.2Å; S372-R459 PolarHBondContact O-N 2.75Å; S372-L466 PolarHBondContact OG-N 3.48Å; S372-L466 VanDerWaalsContact OG-N 3.08Å
373	A	96.6	Very high	92.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	153.9	-179.9	0	0	0	0	0	110.6	F339 F362 P455 F457	F339-A373 HydrophobicContact CB-CB 4.31Å; F339-A373 HydrophobicContact CD1-CB 3.62Å; F339-A373 HydrophobicContact CD2-CB 3.88Å; F339-A373 HydrophobicContact CE1-CB 3.8Å; F339-A373 HydrophobicContact CE2-CB 4.07Å; F339-A373 HydrophobicContact CG-CB 3.68Å; F339-A373 HydrophobicContact CZ-CB 4.03Å; F362-A373 PolarHBondContact N-O 3.25Å; F362-A373 PolarHBondContact O-N 3.5Å; A373-P455 HydrophobicContact CB-CB 4Å; A373-P455 HydrophobicContact CB-CG 3.92Å; A373-F457 WeakPolarHBondContact CA-O 2.97Å
374	V	98	Very high	92.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	119.5	167.9	-176.6	0	0	0	0	108.4	Y359 A360 V361 P455 V456 F457 L466 I469 M484 L486	Y359-V374 HydrophobicContact CD1-CG1 3.99Å; A360-V374 WeakPolarHBondContact O-CA 3.1Å; V361-V374 HydrophobicContact CG2-CG2 4.24Å; V374-P455 CarbonylContact O-C 3.55Å; V374-P455 VanDerWaalsContact O-CA 3.28Å; V374-P455 WeakPolarHBondContact O-CA 3.41Å; V374-P455 WeakPolarHBondContact O-CB 3.49Å; V374-V456 HydrophobicContact CB-CG2 4.17Å; V374-V456 HydrophobicContact CG1-CG2 3.98Å; V374-V456 PolarHBondContact O-N 2.75Å; V374-F457 HydrophobicContact CB-CB 4.15Å; V374-F457 HydrophobicContact CG2-CB 4.17Å; V374-F457 HydrophobicContact CG2-CD1 4.06Å; V374-F457 PolarHBondContact N-O 3.11Å; V374-L466 HydrophobicContact CG2-CD1 4.35Å; V374-I469 HydrophobicContact CG1-CD1 3.69Å; V374-I469 HydrophobicContact CG2-CD1 4.32Å; V374-M484 HydrophobicContact CB-SD 4.42Å; V374-M484 HydrophobicContact CG1-SD 3.94Å; V374-L486 HydrophobicContact CG2-CD1 4.31Å; V374-L486 HydrophobicContact CG2-CD2 3.96Å
375	C	97.8	Very high	92.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	150.8	172.7	-82	0	0	0	0	110.5	C327 A360 F362 Y377 P450	C327-C375 WeakPolarHBondContact CA-SG 3.26Å; C327-C375 HydrophobicContact CB-CB 3.81Å; C327-C375 WeakPolarHBondContact CB-SG 3.46Å; C327-C375 WeakPolarHBondContact SG-CB 3.4Å; C327-C375 CovalentContact SG-SG 2.04Å; C327-C375 PolarHBondContact SG-SG 3.2Å; A360-C375 PolarHBondContact N-O 3.33Å; A360-C375 PolarHBondContact O-N 2.93Å; F362-C375 HydrophobicContact CD2-CB 4.2Å; F362-C375 HydrophobicContact CE2-CB 3.84Å; C375-Y377 HydrophobicContact CB-CE2 3.78Å; C375-P450 HydrophobicContact CB-CB 4.09Å
376	V	97.9	Very high	93.3	Very high	10 Å²	10	39.1 Å²	39.1	6%	0.061	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	126	-175.4	-172.3	0	0	0	0	109.4	I357 V358 Y359 P450 L451 V456	I357-V376 HydrophobicContact CG2-CG1 3.26Å; V358-V376 CarbonylContact O-C 3.58Å; V358-V376 WeakPolarHBondContact O-CA 3.3Å; Y359-V376 HydrophobicContact CD1-CG2 3.66Å; Y359-V376 HydrophobicContact CD2-CG1 4.21Å; Y359-V376 HydrophobicContact CE1-CG2 3.47Å; Y359-V376 VanDerWaalsContact CE1-CG2 3.47Å; Y359-V376 HydrophobicContact CE2-CG1 3.99Å; Y359-V376 HydrophobicContact CE2-CG2 4.35Å; Y359-V376 HydrophobicContact CG-CG2 4.19Å; V376-P450 CarbonylContact O-C 3.49Å; V376-P450 WeakPolarHBondContact O-CA 3.41Å; V376-P450 WeakPolarHBondContact O-CB 3.48Å; V376-L451 HydrophobicContact CG1-CD1 4.23Å; V376-L451 PolarHBondContact O-N 3.15Å; V376-V456 HydrophobicContact CB-CG1 4.34Å; V376-V456 HydrophobicContact CG2-CB 4.28Å; V376-V456 HydrophobicContact CG2-CG1 3.7Å; V376-V456 HydrophobicContact CG2-CG2 3.56Å
377	Y	98.5	Very high	94	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	154.6	-175.1	-47.3	-93.7	0	0	0	110.9	L325 V326 V358 A360 F362 C375 V448 Y449 P450	L325-Y377 HydrophobicContact CD2-CD1 4.01Å; L325-Y377 HydrophobicContact CD2-CD2 4.25Å; L325-Y377 HydrophobicContact CD2-CE1 3.89Å; L325-Y377 HydrophobicContact CD2-CE2 4.14Å; L325-Y377 HydrophobicContact CD2-CG 4.18Å; V326-Y377 PolarHBondContact O-OH 2.89Å; V326-Y377 VanDerWaalsContact O-OH 3.11Å; V358-Y377 PolarHBondContact N-O 3.04Å; V358-Y377 PolarHBondContact O-N 2.66Å; A360-Y377 HydrophobicContact CB-CE2 4.11Å; F362-Y377 AromaticContact CE2-CE2 3.88Å; F362-Y377 HydrophobicContact CE2-CE2 3.88Å; F362-Y377 WeakPolarHBondContact CE2-OH 3.49Å; F362-Y377 AromaticContact CZ-CE2 3.88Å; F362-Y377 HydrophobicContact CZ-CE2 3.88Å; F362-Y377 AromaticContact CZ-CZ 3.91Å; F362-Y377 WeakPolarHBondContact CZ-OH 3.3Å; C375-Y377 HydrophobicContact CB-CE2 3.78Å; Y377-V448 HydrophobicContact CD1-CG1 3.81Å; Y377-V448 HydrophobicContact CE1-CG1 4.48Å; Y377-V448 HydrophobicContact CG-CG1 4.45Å; Y377-Y449 WeakPolarHBondContact CD1-O 3.22Å; Y377-P450 HydrophobicContact CD1-CB 4.28Å; Y377-P450 HydrophobicContact CE1-CB 4.11Å
378	S	97.8	Very high	95.2	Very high	25 Å²	25	36.2 Å²	36.2	18%	0.175	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	151.8	169.4	88.7	0	0	0	0	112.3	A380 D381 I382	S378-A380 PolarHBondContact O-N 2.86Å; S378-A380 WeakPolarHBondContact OG-CB 3.47Å; S378-A380 PolarHBondContact OG-N 3.13Å; S378-A380 VanDerWaalsContact OG-N 3.12Å; S378-D381 WeakPolarHBondContact CB-OD2 3.38Å; S378-D381 PolarHBondContact O-N 3.33Å; S378-D381 VanDerWaalsContact OG-CG 3.23Å; S378-D381 PolarHBondContact OG-N 2.9Å; S378-D381 VanDerWaalsContact OG-N 3.12Å; S378-D381 PolarHBondContact OG-OD2 2.94Å; S378-I382 WeakPolarHBondContact O-CG1 3.47Å; S378-I382 PolarHBondContact O-N 3.4Å
379	M	97.4	Very high	96.1	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-66.6	-14.8	168.5	-72.5	-57.6	-56.8	0	0	113.3	I268 Y280 P356 V358 I382 R383	I268-M379 HydrophobicContact CD1-CE 3.74Å; I268-M379 HydrophobicContact CD1-CG 4.46Å; I268-M379 HydrophobicContact CD1-SD 3.72Å; I268-M379 HydrophobicContact CG2-CE 4.3Å; Y280-M379 HydrophobicContact CD1-CE 4.08Å; Y280-M379 HydrophobicContact CD2-CE 4.15Å; Y280-M379 HydrophobicContact CE1-CE 3.78Å; Y280-M379 HydrophobicContact CE2-CE 3.85Å; Y280-M379 HydrophobicContact CG-CE 4.26Å; P356-M379 HydrophobicContact CG-CG 3.86Å; V358-M379 HydrophobicContact CG2-CG 4.26Å; V358-M379 HydrophobicContact CG2-SD 3.86Å; M379-I382 HydrophobicContact CE-CG2 4.2Å; M379-I382 HydrophobicContact SD-CD1 3.76Å; M379-R383 WeakPolarHBondContact O-CB 3.42Å; M379-R383 VanDerWaalsContact O-CD 3.31Å; M379-R383 WeakPolarHBondContact O-CD 3.37Å; M379-R383 WeakPolarHBondContact O-CG 3.19Å; M379-R383 PolarHBondContact O-N 3.19Å; M379-R383 VanDerWaalsContact O-N 3.15Å
380	A	97.2	Very high	96.9	Very high	56 Å²	56	25.7 Å²	25.7	46%	0.463	15%	0.148	S	C	.	.	H	α-helix	trans	-72.3	-45.3	173.1	0	0	0	0	0	111.1	S378 R383 A384	S378-A380 PolarHBondContact O-N 2.86Å; S378-A380 WeakPolarHBondContact OG-CB 3.47Å; S378-A380 PolarHBondContact OG-N 3.13Å; S378-A380 VanDerWaalsContact OG-N 3.12Å; A380-R383 PolarHBondContact O-N 2.75Å; A380-A384 WeakPolarHBondContact O-CB 3.24Å; A380-A384 PolarHBondContact O-N 3.12Å
381	D	98	Very high	97.2	Very high	65 Å²	65	18.4 Å²	18.4	35%	0.348	12%	0.121	S	C	.	.	H	α-helix	trans	-67.7	-40.2	179.1	-51.3	-55.4	0	0	0	111.4	S378 R383 A384 A385 V448	S378-D381 WeakPolarHBondContact CB-OD2 3.38Å; S378-D381 PolarHBondContact O-N 3.33Å; S378-D381 VanDerWaalsContact OG-CG 3.23Å; S378-D381 PolarHBondContact OG-N 2.9Å; S378-D381 VanDerWaalsContact OG-N 3.12Å; S378-D381 PolarHBondContact OG-OD2 2.94Å; D381-R383 PolarHBondContact O-N 3.29Å; D381-A384 WeakPolarHBondContact O-CB 3.32Å; D381-A384 PolarHBondContact O-N 3.07Å; D381-A385 PolarHBondContact O-N 2.68Å; D381-V448 HydrophobicContact CB-CG1 4.33Å
382	I	98.5	Very high	97.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-58.7	-46.9	173.2	-69	168.8	0	0	0	110.6	Y280 V299 V358 S378 M379 A385 F386 V448	Y280-I382 HydrophobicContact CD1-CG2 4.31Å; Y280-I382 HydrophobicContact CE1-CG2 3.89Å; V299-I382 HydrophobicContact CG1-CG2 4.18Å; V299-I382 HydrophobicContact CG2-CG2 4.11Å; V358-I382 HydrophobicContact CG2-CD1 3.81Å; S378-I382 WeakPolarHBondContact O-CG1 3.47Å; S378-I382 PolarHBondContact O-N 3.4Å; M379-I382 HydrophobicContact CE-CG2 4.2Å; M379-I382 HydrophobicContact SD-CD1 3.76Å; I382-A385 PolarHBondContact O-N 2.74Å; I382-F386 HydrophobicContact CG2-CD2 3.94Å; I382-F386 HydrophobicContact CG2-CE2 3.61Å; I382-F386 WeakPolarHBondContact O-CD2 3.3Å; I382-F386 PolarHBondContact O-N 2.92Å; I382-V448 HydrophobicContact CG1-CG1 3.76Å; I382-V448 HydrophobicContact CG1-CG2 4.28Å
383	R	97.8	Very high	96.4	Very high	27 Å²	27	24.1 Å²	24.1	10%	0.102	14%	0.144	C	C	.	.	H	α-helix	trans	-66.2	-36.5	175.1	-73.6	168.5	-175.8	129	3.8	112.4	A269 D270 K354 N355 M379 A380 D381 A385 F386 N387	A269-R383 PolarHBondContact O-NH2 3.12Å; D270-R383 IonicContact OD1-CZ 3.65Å; D270-R383 IonicContact OD1-NE 3.19Å; D270-R383 PolarHBondContact OD1-NE 3.48Å; D270-R383 IonicContact OD1-NH2 3.83Å; D270-R383 PolarHBondContact OD1-NH2 3.29Å; K354-R383 PolarHBondContact O-NH1 3.24Å; K354-R383 PolarHBondContact O-NH2 3.28Å; N355-R383 PolarHBondContact OD1-NH1 3.35Å; M379-R383 WeakPolarHBondContact O-CB 3.42Å; M379-R383 VanDerWaalsContact O-CD 3.31Å; M379-R383 WeakPolarHBondContact O-CD 3.37Å; M379-R383 WeakPolarHBondContact O-CG 3.19Å; M379-R383 PolarHBondContact O-N 3.19Å; M379-R383 VanDerWaalsContact O-N 3.15Å; A380-R383 PolarHBondContact O-N 2.75Å; D381-R383 PolarHBondContact O-N 3.29Å; R383-A385 VanDerWaalsContact C-N 3.34Å; R383-F386 PolarHBondContact O-N 2.83Å; R383-N387 VanDerWaalsContact O-CB 3.32Å; R383-N387 WeakPolarHBondContact O-CB 3.31Å; R383-N387 PolarHBondContact O-N 2.92Å; R383-N387 PolarHBondContact O-ND2 2.82Å
384	A	98	Very high	95.2	Very high	57 Å²	57	31 Å²	31	47%	0.471	18%	0.176	S	C	.	.	H	α-helix	trans	-62.6	-40.5	176.5	0	0	0	0	0	111.6	A380 D381 N387 G388	A380-A384 WeakPolarHBondContact O-CB 3.24Å; A380-A384 PolarHBondContact O-N 3.12Å; D381-A384 WeakPolarHBondContact O-CB 3.32Å; D381-A384 PolarHBondContact O-N 3.07Å; A384-N387 CarbonylContact O-C 3.46Å; A384-N387 PolarHBondContact O-N 2.77Å; A384-G388 PolarHBondContact O-N 3.41Å
385	A	98.3	Very high	93.8	Very high	4 Å²	4	32.1 Å²	32.1	3%	0.033	19%	0.187	C	C	.	.	H	α-helix	trans	-63.5	-45.6	173.4	0	0	0	0	0	112.4	A323 D381 I382 R383 N387 G388 M444 H446 V448	A323-A385 HydrophobicContact CB-CB 4.25Å; D381-A385 PolarHBondContact O-N 2.68Å; I382-A385 PolarHBondContact O-N 2.74Å; R383-A385 VanDerWaalsContact C-N 3.34Å; A385-N387 PolarHBondContact O-N 3.2Å; A385-G388 PolarHBondContact O-N 2.82Å; A385-M444 WeakPolarHBondContact O-CE 3.36Å; A385-H446 HydrophobicContact CB-CB 4.4Å; A385-V448 HydrophobicContact CB-CG2 3.62Å
386	F	98.3	Very high	92.3	Very high	1 Å²	1	37.8 Å²	37.8	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-67.9	-20.9	175.3	-69.4	-60.9	0	0	0	114.6	Y280 V299 R301 L321 A323 I382 R383 M444	Y280-F386 HydrophobicContact CD1-CE2 4.3Å; Y280-F386 HydrophobicContact CE1-CD2 4.17Å; Y280-F386 AromaticContact CE1-CE2 3.8Å; Y280-F386 HydrophobicContact CE1-CE2 3.8Å; V299-F386 HydrophobicContact CG1-CE2 4.2Å; V299-F386 HydrophobicContact CG1-CZ 4.12Å; V299-F386 HydrophobicContact CG2-CE2 4.33Å; V299-F386 HydrophobicContact CG2-CZ 4.42Å; R301-F386 HydrophobicContact CB-CZ 4.48Å; R301-F386 HydrophobicContact CG-CD1 4.3Å; R301-F386 HydrophobicContact CG-CD2 4.3Å; R301-F386 HydrophobicContact CG-CE1 4.17Å; R301-F386 HydrophobicContact CG-CE2 4.16Å; R301-F386 HydrophobicContact CG-CG 4.38Å; R301-F386 HydrophobicContact CG-CZ 4.1Å; R301-F386 VanDerWaalsContact CZ-CB 3.45Å; L321-F386 HydrophobicContact CB-CD1 3.8Å; L321-F386 HydrophobicContact CB-CE1 3.89Å; L321-F386 HydrophobicContact CD1-CD1 4.43Å; L321-F386 WeakPolarHBondContact O-CE1 3.38Å; A323-F386 HydrophobicContact CB-CE1 4.2Å; A323-F386 HydrophobicContact CB-CZ 4.37Å; I382-F386 HydrophobicContact CG2-CD2 3.94Å; I382-F386 HydrophobicContact CG2-CE2 3.61Å; I382-F386 WeakPolarHBondContact O-CD2 3.3Å; I382-F386 PolarHBondContact O-N 2.92Å; R383-F386 PolarHBondContact O-N 2.83Å; F386-M444 HydrophobicContact CD1-CG 3.71Å; F386-M444 HydrophobicContact CD1-SD 4.25Å; F386-M444 HydrophobicContact CE1-CG 4.21Å
387	N	97.1	Very high	91	Very high	95 Å²	95	42.1 Å²	42.1	51%	0.508	25%	0.247	S	C	.	.	H	α-helix	trans	-94.1	-4.5	172	-64.8	-19.4	0	0	0	112.4	R383 A384 A385 R411	R383-N387 VanDerWaalsContact O-CB 3.32Å; R383-N387 WeakPolarHBondContact O-CB 3.31Å; R383-N387 PolarHBondContact O-N 2.92Å; R383-N387 PolarHBondContact O-ND2 2.82Å; A384-N387 CarbonylContact O-C 3.46Å; A384-N387 PolarHBondContact O-N 2.77Å; A385-N387 PolarHBondContact O-N 3.2Å; N387-R411 VanDerWaalsContact C-NH2 3.33Å; N387-R411 PolarHBondContact O-NH1 2.92Å; N387-R411 PolarHBondContact O-NH2 2.9Å; N387-R411 VanDerWaalsContact O-NH2 3.13Å
388	G	97.1	Very high	90	Very high	12 Å²	12	48.8 Å²	48.8	12%	0.124	28%	0.278	C	S	.	.	S	Bend	trans	-79.6	-175.5	174.1	0	0	0	0	0	113.2	A384 A385 R411 M444	A384-G388 PolarHBondContact O-N 3.41Å; A385-G388 PolarHBondContact O-N 2.82Å; G388-R411 PolarHBondContact O-NH2 3.12Å; G388-M444 WeakPolarHBondContact O-CE 3.16Å
389	P	97.3	Very high	89.3	Confident	21 Å²	21	54.8 Å²	54.8	14%	0.136	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-68.8	151.3	-178.3	28.1	-33.8	0	0	0	112.6	E402 H445 H446	P389-E402 HydrophobicContact CB-CG 3.49Å; P389-E402 VanDerWaalsContact CB-CG 3.49Å; P389-E402 VanDerWaalsContact CB-OE1 3.32Å; P389-E402 WeakPolarHBondContact CB-OE1 3.26Å; P389-E402 HydrophobicContact CG-CG 3.66Å; P389-E402 VanDerWaalsContact CG-OE1 3.3Å; P389-E402 WeakPolarHBondContact CG-OE1 3.44Å; P389-H445 HydrophobicContact CG-CB 4.27Å; P389-H445 PolarHBondContact O-N 2.97Å; P389-H446 VanDerWaalsContact CD-CE1 3.5Å; P389-H446 WeakPolarHBondContact CD-CE1 3.43Å
390	Y	97.3	Very high	88.8	Confident	1 Å²	1	57.2 Å²	57.2	0%	0.004	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-78.5	154.7	174.3	-56.5	-89.1	0	0	0	110.3	L321 Y403 I407 R411 P412 F437 M444	L321-Y390 HydrophobicContact CD1-CE1 4.23Å; L321-Y390 HydrophobicContact CD2-CD1 4.25Å; L321-Y390 HydrophobicContact CD2-CE1 3.81Å; Y390-Y403 WeakPolarHBondContact O-CB 3.21Å; Y390-Y403 PolarHBondContact O-N 2.85Å; Y390-I407 HydrophobicContact CD2-CD1 4.08Å; Y390-I407 HydrophobicContact CD2-CG1 4.14Å; Y390-I407 HydrophobicContact CE2-CD1 3.89Å; Y390-I407 HydrophobicContact CE2-CG1 4.03Å; Y390-I407 HydrophobicContact CE2-CG2 3.96Å; Y390-R411 VanDerWaalsContact OH-CG 3.24Å; Y390-R411 WeakPolarHBondContact OH-CG 3.3Å; Y390-R411 PolarHBondContact OH-NE 3.41Å; Y390-P412 HydrophobicContact CE1-CB 4.28Å; Y390-P412 PolarHBondContact OH-O 3.25Å; Y390-F437 HydrophobicContact CD1-CE1 4.1Å; Y390-F437 AromaticContact CD2-CE1 3.79Å; Y390-F437 HydrophobicContact CD2-CE1 3.79Å; Y390-F437 AromaticContact CD2-CZ 3.89Å; Y390-F437 HydrophobicContact CD2-CZ 3.89Å; Y390-F437 HydrophobicContact CE1-CE1 4.35Å; Y390-F437 HydrophobicContact CE2-CE1 4.07Å; Y390-F437 HydrophobicContact CE2-CZ 4.38Å; Y390-F437 AromaticContact CG-CE1 3.83Å; Y390-F437 HydrophobicContact CG-CE1 3.83Å; Y390-F437 HydrophobicContact CG-CZ 4.18Å; Y390-M444 HydrophobicContact CD1-CE 3.84Å; Y390-M444 HydrophobicContact CD1-SD 3.86Å; Y390-M444 HydrophobicContact CE1-CE 3.92Å; Y390-M444 HydrophobicContact CE1-SD 3.97Å; Y390-M444 HydrophobicContact CG-CE 4.28Å
391	A	93.4	Very high	88.5	Confident	2 Å²	2	56.7 Å²	56.7	2%	0.017	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	143.5	168.6	0	0	0	0	0	110.1	W400 V401 L443 H445	A391-W400 HydrophobicContact CB-CE3 3.83Å; A391-W400 HydrophobicContact CB-CZ3 4.34Å; A391-V401 WeakPolarHBondContact CA-O 3.41Å; A391-L443 HydrophobicContact CB-CB 4.23Å; A391-L443 HydrophobicContact CB-CD2 3.82Å; A391-L443 HydrophobicContact CB-CG 3.83Å; A391-L443 PolarHBondContact N-O 2.92Å; A391-H445 HydrophobicContact CB-CB 4.17Å
392	H	89.4	Confident	88.3	Confident	33 Å²	33	57.6 Å²	57.6	15%	0.153	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	164.8	174.5	81.3	-61.8	0	0	0	111.6	W400 V401 E402 Y403 H441	H392-W400 WeakPolarHBondContact O-CA 3.35Å; H392-V401 VanDerWaalsContact CE1-CG2 3.45Å; H392-V401 WeakPolarHBondContact CE1-CG2 3.38Å; H392-V401 PolarHBondContact N-O 3.43Å; H392-V401 PolarHBondContact ND1-O 2.86Å; H392-V401 PolarHBondContact O-N 3.04Å; H392-E402 PolarHBondContact CE1-O 3.06Å; H392-E402 PolarHBondContact ND1-O 2.82Å; H392-Y403 HydrophobicContact CB-CD2 3.98Å; H392-Y403 AromaticContact CD2-CD2 3.89Å; H392-Y403 AromaticContact CG-CD2 3.73Å; H392-Y403 AromaticContact ND1-CD2 3.96Å; H392-H441 WeakPolarHBondContact CB-NE2 3.48Å
393	K	82.8	Confident	88.1	Confident	96 Å²	96	59.8 Å²	59.8	42%	0.417	31%	0.308	S	S	.	.			trans	-120.8	7.5	-172.9	-156.5	-176.9	175.5	-178.5	0	113.7	G395 H398 W400	K393-G395 PolarHBondContact O-N 3.37Å; K393-G395 VanDerWaalsContact O-N 3.12Å; K393-H398 WeakPolarHBondContact CE-O 3.47Å; K393-H398 WeakPolarHBondContact CG-O 3.1Å; K393-W400 HydrophobicContact CB-CD2 4.27Å; K393-W400 HydrophobicContact CB-CE3 4.32Å; K393-W400 HydrophobicContact CD-CZ2 4.38Å; K393-W400 HydrophobicContact CG-CD2 4.49Å
394	E	71.6	Confident	87.8	Confident	146 Å²	146	67.3 Å²	67.3	68%	0.682	34%	0.344	S	S	*	.			trans	-81.4	13.9	-167.8	-49.6	-172.7	141.8	0	0	114.4
395	G	68.3	Low	87.5	Confident	22 Å²	22	66.4 Å²	66.4	23%	0.227	34%	0.34	C	S	.	.	S	Bend	trans	-84.4	163.4	176.4	0	0	0	0	0	113.8	K393 D397 H398	K393-G395 PolarHBondContact O-N 3.37Å; K393-G395 VanDerWaalsContact O-N 3.12Å; G395-D397 VanDerWaalsContact C-N 3.27Å; G395-D397 PolarHBondContact O-N 3.16Å; G395-H398 PolarHBondContact O-N 2.98Å
396	P	66	Low	87.3	Confident	120 Å²	120	75 Å²	75	78%	0.779	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-36.8	-177.7	24.1	-34.4	0	0	0	113	H398	P396-H398 PolarHBondContact O-N 2.6Å; P396-H398 PolarHBondContact O-ND1 3.29Å
397	D	71.9	Confident	87.3	Confident	100 Å²	100	78.1 Å²	78.1	54%	0.535	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-7.2	177.6	-53.3	-39.9	0	0	0	113.5	G395 R399	G395-D397 VanDerWaalsContact C-N 3.27Å; G395-D397 PolarHBondContact O-N 3.16Å; D397-R399 HydrophobicContact CB-CB 4.35Å; D397-R399 HydrophobicContact CB-CG 3.94Å; D397-R399 PolarHBondContact O-N 3.08Å; D397-R399 VanDerWaalsContact O-N 3.08Å; D397-R399 IonicContact OD2-CZ 3.8Å; D397-R399 IonicContact OD2-NE 3.13Å; D397-R399 PolarHBondContact OD2-NE 2.84Å; D397-R399 VanDerWaalsContact OD2-NE 3.09Å; D397-R399 IonicContact OD2-NH1 2.91Å; D397-R399 IonicContact OD2-NH2 3.66Å; D397-R399 PolarHBondContact OD2-NH2 2.79Å
398	H	76.5	Confident	87.3	Confident	140 Å²	140	73.9 Å²	73.9	65%	0.648	37%	0.365	S	S	*	.			trans	50.6	31.5	-174.4	-66.6	63.1	0	0	0	113.5	K393 G395 P396	K393-H398 WeakPolarHBondContact CE-O 3.47Å; K393-H398 WeakPolarHBondContact CG-O 3.1Å; G395-H398 PolarHBondContact O-N 2.98Å; P396-H398 PolarHBondContact O-N 2.6Å; P396-H398 PolarHBondContact O-ND1 3.29Å
399	R	83.9	Confident	87.2	Confident	152 Å²	152	80.5 Å²	80.5	57%	0.574	39%	0.387	S	S	*	.			trans	-101.6	157.3	177.8	74.3	-169.6	171.5	178.5	-9.2	110.7	D397 V401	D397-R399 HydrophobicContact CB-CB 4.35Å; D397-R399 HydrophobicContact CB-CG 3.94Å; D397-R399 PolarHBondContact O-N 3.08Å; D397-R399 VanDerWaalsContact O-N 3.08Å; D397-R399 IonicContact OD2-CZ 3.8Å; D397-R399 IonicContact OD2-NE 3.13Å; D397-R399 PolarHBondContact OD2-NE 2.84Å; D397-R399 VanDerWaalsContact OD2-NE 3.09Å; D397-R399 IonicContact OD2-NH1 2.91Å; D397-R399 IonicContact OD2-NH2 3.66Å; D397-R399 PolarHBondContact OD2-NH2 2.79Å; R399-V401 HydrophobicContact CG-CG1 3.85Å
400	W	86.8	Confident	87.1	Confident	51 Å²	51	80 Å²	80	19%	0.193	39%	0.385	C	S	.	.			trans	-75.4	127.4	175	-69.2	92	0	0	0	111.2	Y255 E289 A391 H392 K393 L443	Y255-W400 HydrophobicContact CD2-CH2 4.48Å; Y255-W400 HydrophobicContact CG-CH2 4.3Å; E289-W400 HydrophobicContact CG-CB 4.47Å; E289-W400 HydrophobicContact CG-CG 4.08Å; A391-W400 HydrophobicContact CB-CE3 3.83Å; A391-W400 HydrophobicContact CB-CZ3 4.34Å; H392-W400 WeakPolarHBondContact O-CA 3.35Å; K393-W400 HydrophobicContact CB-CD2 4.27Å; K393-W400 HydrophobicContact CB-CE3 4.32Å; K393-W400 HydrophobicContact CD-CZ2 4.38Å; K393-W400 HydrophobicContact CG-CD2 4.49Å; W400-L443 HydrophobicContact CD2-CD2 4.04Å; W400-L443 HydrophobicContact CE3-CD2 3.83Å; W400-L443 HydrophobicContact CH2-CD2 4.37Å; W400-L443 HydrophobicContact CZ3-CB 4.37Å; W400-L443 HydrophobicContact CZ3-CD2 4Å
401	V	90.9	Very high	87.1	Confident	46 Å²	46	83.6 Å²	83.6	28%	0.279	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	165.1	178.9	-63.9	0	0	0	0	111	A391 H392 R399	A391-V401 WeakPolarHBondContact CA-O 3.41Å; H392-V401 VanDerWaalsContact CE1-CG2 3.45Å; H392-V401 WeakPolarHBondContact CE1-CG2 3.38Å; H392-V401 PolarHBondContact N-O 3.43Å; H392-V401 PolarHBondContact ND1-O 2.86Å; H392-V401 PolarHBondContact O-N 3.04Å; R399-V401 HydrophobicContact CG-CG1 3.85Å
402	E	93.9	Very high	87.3	Confident	84 Å²	84	83.6 Å²	83.6	39%	0.393	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	138.9	173.1	-160	177.9	148.2	0	0	111.5	P389 H392 E404 H445	P389-E402 HydrophobicContact CB-CG 3.49Å; P389-E402 VanDerWaalsContact CB-CG 3.49Å; P389-E402 VanDerWaalsContact CB-OE1 3.32Å; P389-E402 WeakPolarHBondContact CB-OE1 3.26Å; P389-E402 HydrophobicContact CG-CG 3.66Å; P389-E402 VanDerWaalsContact CG-OE1 3.3Å; P389-E402 WeakPolarHBondContact CG-OE1 3.44Å; H392-E402 PolarHBondContact CE1-O 3.06Å; H392-E402 PolarHBondContact ND1-O 2.82Å; E402-E404 PolarHBondContact O-N 2.82Å; E402-H445 HydrophobicContact CG-CB 4.37Å; E402-H445 IonicContact OE2-CD2 3.25Å
403	Y	93.6	Very high	87.6	Confident	46 Å²	46	82.2 Å²	82.2	18%	0.18	39%	0.393	C	S	.	.			trans	-88.1	97.3	173.8	-175.8	-93.5	0	0	0	110.9	Y390 H392 G405 I407 F437 H441	Y390-Y403 WeakPolarHBondContact O-CB 3.21Å; Y390-Y403 PolarHBondContact O-N 2.85Å; H392-Y403 HydrophobicContact CB-CD2 3.98Å; H392-Y403 AromaticContact CD2-CD2 3.89Å; H392-Y403 AromaticContact CG-CD2 3.73Å; H392-Y403 AromaticContact ND1-CD2 3.96Å; Y403-G405 VanDerWaalsContact C-N 3.25Å; Y403-G405 WeakPolarHBondContact CE1-O 3.23Å; Y403-G405 PolarHBondContact O-N 2.89Å; Y403-I407 HydrophobicContact CD1-CG1 4.4Å; Y403-I407 HydrophobicContact CE1-CG1 4.46Å; Y403-F437 HydrophobicContact CD1-CE2 4.04Å; Y403-F437 AromaticContact CD1-CZ 3.87Å; Y403-F437 HydrophobicContact CD1-CZ 3.87Å; Y403-F437 AromaticContact CE1-CE2 3.47Å; Y403-F437 HydrophobicContact CE1-CE2 3.47Å; Y403-F437 VanDerWaalsContact CE1-CE2 3.47Å; Y403-F437 AromaticContact CE1-CZ 3.79Å; Y403-F437 HydrophobicContact CE1-CZ 3.79Å; Y403-F437 HydrophobicContact CE2-CE2 4.35Å; Y403-F437 HydrophobicContact CG-CZ 4.41Å; Y403-F437 AromaticContact CZ-CE2 3.66Å; Y403-H441 AromaticContact CD2-NE2 3.64Å; Y403-H441 AromaticContact CE2-NE2 3.83Å
404	E	92	Very high	88.2	Confident	184 Å²	184	80 Å²	80	86%	0.86	39%	0.387	S	S	*	.			trans	-79.1	-3.7	175.9	-59.1	-175.8	157.1	0	0	113.7	E402	E402-E404 PolarHBondContact O-N 2.82Å
405	G	91.6	Very high	89.4	Confident	38 Å²	38	73.1 Å²	73.1	39%	0.392	36%	0.356	S	S	.	.	S	Bend	trans	-75.8	-178	-175.2	0	0	0	0	0	114.7	Y403 I407	Y403-G405 VanDerWaalsContact C-N 3.25Å; Y403-G405 WeakPolarHBondContact CE1-O 3.23Å; Y403-G405 PolarHBondContact O-N 2.89Å; G405-I407 PolarHBondContact O-N 2.85Å
406	R	94.8	Very high	90.6	Very high	185 Å²	185	72.2 Å²	72.2	70%	0.698	35%	0.346	S	S	*	.			trans	-74	111	179.2	-177.8	-177.7	172.9	-150.5	-8	111.3
407	I	97.1	Very high	91.9	Very high	66 Å²	66	66.7 Å²	66.7	34%	0.338	31%	0.31	S	S	.	.			trans	-70.9	131	168	-59.3	163.9	0	0	0	109.2	Y390 Y403 G405 R411	Y390-I407 HydrophobicContact CD2-CD1 4.08Å; Y390-I407 HydrophobicContact CD2-CG1 4.14Å; Y390-I407 HydrophobicContact CE2-CD1 3.89Å; Y390-I407 HydrophobicContact CE2-CG1 4.03Å; Y390-I407 HydrophobicContact CE2-CG2 3.96Å; Y403-I407 HydrophobicContact CD1-CG1 4.4Å; Y403-I407 HydrophobicContact CE1-CG1 4.46Å; G405-I407 PolarHBondContact O-N 2.85Å; I407-R411 HydrophobicContact CG2-CG 4.31Å
408	P	97.3	Very high	92.5	Very high	6 Å²	6	68.6 Å²	68.6	4%	0.039	31%	0.313	C	S	.	.			trans	-78.2	171.4	-179.9	32.3	-36.5	0	0	0	113.2	P410 P412 E433 V434 F437	P408-P410 CarbonylContact O-C 3.47Å; P408-P412 HydrophobicContact CG-CG 3.86Å; P408-E433 HydrophobicContact CB-CB 4.46Å; P408-E433 HydrophobicContact CB-CG 3.82Å; P408-E433 HydrophobicContact CG-CG 4.47Å; P408-V434 HydrophobicContact CB-CG2 3.93Å; P408-V434 HydrophobicContact CG-CG2 4.07Å; P408-F437 HydrophobicContact CG-CB 3.84Å; P408-F437 HydrophobicContact CG-CD2 4.04Å; P408-F437 HydrophobicContact CG-CG 3.98Å
409	Y	95.1	Very high	92.9	Very high	151 Å²	151	66.9 Å²	66.9	59%	0.592	31%	0.313	S	S	*	.	S	Bend	trans	-119.6	137.7	179.6	-176.7	-86.8	0	0	0	112	V434	Y409-V434 WeakPolarHBondContact O-CG2 3.13Å
410	P	95.7	Very high	93	Very high	12 Å²	12	64.9 Å²	64.9	8%	0.078	31%	0.306	C	S	.	.	S	Bend	cis	-62.3	160.2	-8.1	30.5	-38.9	0	0	0	111.4	P408 I424 F430 V434	P408-P410 CarbonylContact O-C 3.47Å; P410-I424 HydrophobicContact CB-CD1 4.36Å; P410-I424 HydrophobicContact CG-CD1 3.62Å; P410-F430 HydrophobicContact CG-CD1 3.69Å; P410-F430 HydrophobicContact CG-CE1 3.78Å; P410-V434 WeakPolarHBondContact O-CG2 3.43Å
411	R	96.8	Very high	93.1	Very high	75 Å²	75	63.7 Å²	63.7	28%	0.283	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-60.8	130.7	-175	179.7	173.2	179.7	163.3	1.9	110.6	N387 G388 Y390 I407 G413 T414	N387-R411 VanDerWaalsContact C-NH2 3.33Å; N387-R411 PolarHBondContact O-NH1 2.92Å; N387-R411 PolarHBondContact O-NH2 2.9Å; N387-R411 VanDerWaalsContact O-NH2 3.13Å; G388-R411 PolarHBondContact O-NH2 3.12Å; Y390-R411 VanDerWaalsContact OH-CG 3.24Å; Y390-R411 WeakPolarHBondContact OH-CG 3.3Å; Y390-R411 PolarHBondContact OH-NE 3.41Å; I407-R411 HydrophobicContact CG2-CG 4.31Å; R411-G413 PolarHBondContact O-N 3.01Å; R411-T414 VanDerWaalsContact O-CB 3.27Å; R411-T414 WeakPolarHBondContact O-CB 3.37Å; R411-T414 PolarHBondContact O-N 2.62Å; R411-T414 PolarHBondContact O-OG1 2.85Å
412	P	97.6	Very high	93	Very high	2 Å²	2	66 Å²	66	1%	0.013	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51	122.6	174.8	-29.8	36.2	0	0	0	112.4	Y390 P408 V434 F437 I438	Y390-P412 HydrophobicContact CE1-CB 4.28Å; Y390-P412 PolarHBondContact OH-O 3.25Å; P408-P412 HydrophobicContact CG-CG 3.86Å; P412-V434 HydrophobicContact CG-CG1 4.3Å; P412-F437 HydrophobicContact CB-CD1 3.88Å; P412-F437 HydrophobicContact CB-CE1 4.37Å; P412-F437 HydrophobicContact CG-CB 4.2Å; P412-F437 HydrophobicContact CG-CD1 3.41Å; P412-F437 VanDerWaalsContact CG-CD1 3.41Å; P412-F437 HydrophobicContact CG-CE1 3.98Å; P412-F437 HydrophobicContact CG-CG 3.93Å; P412-I438 HydrophobicContact CB-CB 4.14Å; P412-I438 HydrophobicContact CB-CD1 4.43Å; P412-I438 HydrophobicContact CB-CG1 4.22Å
413	G	95.6	Very high	92.9	Very high	5 Å²	5	71.8 Å²	71.8	5%	0.052	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.1	0.4	-175.4	0	0	0	0	0	116	R411	R411-G413 PolarHBondContact O-N 3.01Å
414	T	95.3	Very high	92.9	Very high	48 Å²	48	70.3 Å²	70.3	29%	0.294	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-74.9	141.4	165.6	-67.2	0	0	0	0	110.6	R411 F430	R411-T414 VanDerWaalsContact O-CB 3.27Å; R411-T414 WeakPolarHBondContact O-CB 3.37Å; R411-T414 PolarHBondContact O-N 2.62Å; R411-T414 PolarHBondContact O-OG1 2.85Å; T414-F430 WeakPolarHBondContact O-CZ 3.35Å
415	C	96.2	Very high	92.9	Very high	3 Å²	3	68.3 Å²	68.3	2%	0.02	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-78.9	143	177.1	-48.9	0	0	0	0	111.5	D275 K278 C303 S417	D275-C415 WeakPolarHBondContact O-CB 3.22Å; K278-C415 WeakPolarHBondContact CE-SG 3.18Å; C303-C415 HydrophobicContact CB-CB 3.67Å; C303-C415 WeakPolarHBondContact CB-SG 3.14Å; C303-C415 WeakPolarHBondContact SG-CA 3.39Å; C303-C415 WeakPolarHBondContact SG-CB 3.42Å; C303-C415 PolarHBondContact SG-N 2.03Å; C303-C415 VanDerWaalsContact SG-N 3.41Å; C303-C415 CovalentContact SG-SG 2.03Å; C303-C415 PolarHBondContact SG-SG 3.43Å; C415-S417 PolarHBondContact O-N 3Å
416	P	95.2	Very high	93	Very high	3 Å²	3	68.3 Å²	68.3	2%	0.019	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-64.6	124.4	174.1	29.2	-35.2	0	0	0	109.7	N305 I424 T427 F430	N305-P416 PolarHBondContact ND2-O 2.84Å; N305-P416 WeakPolarHBondContact OD1-CD 3.45Å; P416-I424 HydrophobicContact CB-CG2 4.06Å; P416-T427 HydrophobicContact CG-CG2 3.81Å; P416-F430 HydrophobicContact CB-CE1 4.37Å; P416-F430 HydrophobicContact CB-CZ 4.41Å
417	S	92	Very high	93	Very high	4 Å²	4	59.5 Å²	59.5	3%	0.028	28%	0.28	C	S	.	.			trans	-150.1	135.6	174.4	-175.2	0	0	0	0	111.6	N273 D275 C415 T419 Y420 D421	N273-S417 PolarHBondContact ND2-OG 3.21Å; D275-S417 VanDerWaalsContact CB-CB 3.44Å; D275-S417 VanDerWaalsContact CB-OG 3.29Å; D275-S417 WeakPolarHBondContact CB-OG 3.37Å; D275-S417 WeakPolarHBondContact OD2-CA 3.5Å; D275-S417 VanDerWaalsContact OD2-CB 3.29Å; D275-S417 WeakPolarHBondContact OD2-CB 3.32Å; D275-S417 PolarHBondContact OD2-OG 2.75Å; C415-S417 PolarHBondContact O-N 3Å; S417-T419 PolarHBondContact O-N 2.78Å; S417-T419 VanDerWaalsContact O-N 3.12Å; S417-T419 PolarHBondContact OG-N 2.85Å; S417-T419 PolarHBondContact OG-OG1 3.17Å; S417-Y420 PolarHBondContact O-N 2.78Å; S417-D421 PolarHBondContact O-N 2.9Å
418	K	84.8	Confident	93	Very high	139 Å²	139	59.8 Å²	59.8	60%	0.604	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-21.3	174.7	-61.5	161.6	-169.5	155.8	0	112.7	K425	K418-K425 HydrophobicContact CG-CG 4.3Å
419	T	85.3	Confident	92.9	Very high	104 Å²	104	63 Å²	63	64%	0.638	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-28.8	176.6	-48.2	0	0	0	0	112.2	N273 S417	N273-T419 PolarHBondContact ND2-OG1 2.8Å; S417-T419 PolarHBondContact O-N 2.78Å; S417-T419 VanDerWaalsContact O-N 3.12Å; S417-T419 PolarHBondContact OG-N 2.85Å; S417-T419 PolarHBondContact OG-OG1 3.17Å
420	Y	84.8	Confident	93	Very high	110 Å²	110	56.5 Å²	56.5	43%	0.431	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-42.9	-177.8	-58.7	-43	0	0	0	112.3	D276 S417	D276-Y420 HydrophobicContact CB-CE2 4.32Å; D276-Y420 PolarHBondContact OD2-OH 3.02Å; S417-Y420 PolarHBondContact O-N 2.78Å
421	D	89.4	Confident	93	Very high	26 Å²	26	58.5 Å²	58.5	14%	0.139	28%	0.284	C	S	.	.			trans	-142.7	116.6	167.1	-173.8	-19	0	0	0	110	S417 R423 I424	S417-D421 PolarHBondContact O-N 2.9Å; D421-R423 PolarHBondContact O-N 2.75Å; D421-R423 VanDerWaalsContact O-N 3.11Å; D421-R423 WeakPolarHBondContact OD1-CB 3.45Å; D421-R423 VanDerWaalsContact OD1-CG 3.31Å; D421-R423 WeakPolarHBondContact OD1-CG 3.38Å; D421-R423 PolarHBondContact OD1-N 2.97Å; D421-I424 HydrophobicContact CB-CB 4.28Å; D421-I424 HydrophobicContact CB-CD1 4.29Å; D421-I424 HydrophobicContact CB-CG1 4.18Å; D421-I424 PolarHBondContact O-N 3.21Å; D421-I424 VanDerWaalsContact O-N 3.12Å
422	P	89.7	Confident	93	Very high	94 Å²	94	58.8 Å²	58.8	61%	0.61	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-12	-180	28.8	-36.6	0	0	0	114.2	K425	P422-K425 WeakPolarHBondContact O-CE 3.37Å
423	R	91.5	Very high	92.9	Very high	207 Å²	207	63.5 Å²	63.5	78%	0.781	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-30.9	174.7	-56.2	172.1	-176.9	-178.3	2.9	112	D421	D421-R423 PolarHBondContact O-N 2.75Å; D421-R423 VanDerWaalsContact O-N 3.11Å; D421-R423 WeakPolarHBondContact OD1-CB 3.45Å; D421-R423 VanDerWaalsContact OD1-CG 3.31Å; D421-R423 WeakPolarHBondContact OD1-CG 3.38Å; D421-R423 PolarHBondContact OD1-N 2.97Å
424	I	92.8	Very high	93	Very high	15 Å²	15	63.4 Å²	63.4	8%	0.077	31%	0.311	C	S	.	.			trans	-102.5	90.4	-171.5	-55.2	-177.3	0	0	0	109	P410 P416 D421 D429 F430	P410-I424 HydrophobicContact CB-CD1 4.36Å; P410-I424 HydrophobicContact CG-CD1 3.62Å; P416-I424 HydrophobicContact CB-CG2 4.06Å; D421-I424 HydrophobicContact CB-CB 4.28Å; D421-I424 HydrophobicContact CB-CD1 4.29Å; D421-I424 HydrophobicContact CB-CG1 4.18Å; D421-I424 PolarHBondContact O-N 3.21Å; D421-I424 VanDerWaalsContact O-N 3.12Å; I424-D429 HydrophobicContact CG2-CB 4.25Å; I424-F430 HydrophobicContact CG2-CD1 3.62Å; I424-F430 HydrophobicContact CG2-CE1 3.64Å
425	K	91.9	Very high	93	Very high	141 Å²	141	61.4 Å²	61.4	61%	0.613	30%	0.299	S	S	*	.	S	Bend	trans	-94.8	-20.4	-176.5	-62.2	162.2	-172.6	164.8	0	111.9	K418 P422 D429	K418-K425 HydrophobicContact CG-CG 4.3Å; P422-K425 WeakPolarHBondContact O-CE 3.37Å; K425-D429 WeakPolarHBondContact CA-OD2 3.45Å; K425-D429 WeakPolarHBondContact CB-OD2 3.47Å; K425-D429 PolarHBondContact N-OD2 2.97Å
426	T	94.3	Very high	92.9	Very high	38 Å²	38	64.3 Å²	64.3	23%	0.233	32%	0.319	C	S	.	.	S	Bend	trans	-149.9	160.5	-179.2	177.6	0	0	0	0	110.6	V307 K428 D429	V307-T426 WeakPolarHBondContact CG2-OG1 3.45Å; T426-K428 HydrophobicContact CG2-CB 3.96Å; T426-K428 PolarHBondContact O-N 3.11Å; T426-K428 VanDerWaalsContact O-N 3.14Å; T426-D429 VanDerWaalsContact CG2-OD2 3.29Å; T426-D429 WeakPolarHBondContact CG2-OD2 3.4Å; T426-D429 PolarHBondContact N-OD2 3.4Å; T426-D429 WeakPolarHBondContact O-CB 3.33Å; T426-D429 PolarHBondContact O-N 3.15Å
427	T	95.6	Very high	93	Very high	0 Å²	0	65 Å²	65	0%	0	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-62	-17.8	175.5	54.8	0	0	0	0	113.6	D306 V307 G308 T318 T319 P416 D429 F430	D306-T427 HydrophobicContact CB-CG2 4.16Å; V307-T427 VanDerWaalsContact CG2-OG1 3.31Å; V307-T427 WeakPolarHBondContact CG2-OG1 3.4Å; V307-T427 PolarHBondContact N-OG1 2.8Å; G308-T427 PolarHBondContact N-OG1 2.98Å; G308-T427 PolarHBondContact O-OG1 3.31Å; T318-T427 VanDerWaalsContact OG1-CB 3.22Å; T318-T427 WeakPolarHBondContact OG1-CB 3.46Å; T318-T427 VanDerWaalsContact OG1-CG2 3.29Å; T318-T427 WeakPolarHBondContact OG1-CG2 3.36Å; T319-T427 HydrophobicContact CG2-CG2 4.34Å; P416-T427 HydrophobicContact CG-CG2 3.81Å; T427-D429 PolarHBondContact O-N 3.26Å; T427-F430 HydrophobicContact CG2-CD2 4.21Å; T427-F430 HydrophobicContact CG2-CE2 3.55Å; T427-F430 HydrophobicContact CG2-CZ 4.04Å; T427-F430 WeakPolarHBondContact O-CB 3.44Å; T427-F430 WeakPolarHBondContact O-CD2 3.16Å; T427-F430 PolarHBondContact O-N 2.91Å
428	K	95.3	Very high	93.1	Very high	73 Å²	73	64.9 Å²	64.9	32%	0.317	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-73.8	-12.9	171.7	-65.8	169.5	-176.3	165.3	0	113.2	V307 G308 L310 T426	V307-K428 HydrophobicContact CG2-CD 4.13Å; V307-K428 HydrophobicContact CG2-CG 4.22Å; V307-K428 VanDerWaalsContact O-CE 3.32Å; V307-K428 WeakPolarHBondContact O-CE 3.44Å; G308-K428 WeakPolarHBondContact O-CG 3.24Å; L310-K428 HydrophobicContact CB-CB 4.18Å; L310-K428 HydrophobicContact CB-CG 4.5Å; L310-K428 HydrophobicContact CD1-CB 4.47Å; T426-K428 HydrophobicContact CG2-CB 3.96Å; T426-K428 PolarHBondContact O-N 3.11Å; T426-K428 VanDerWaalsContact O-N 3.14Å
429	D	95.9	Very high	93.5	Very high	72 Å²	72	61.9 Å²	61.9	39%	0.385	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-90.7	-5.4	173.5	-52.6	-36.2	0	0	0	112.5	I424 K425 T426 T427	I424-D429 HydrophobicContact CG2-CB 4.25Å; K425-D429 WeakPolarHBondContact CA-OD2 3.45Å; K425-D429 WeakPolarHBondContact CB-OD2 3.47Å; K425-D429 PolarHBondContact N-OD2 2.97Å; T426-D429 VanDerWaalsContact CG2-OD2 3.29Å; T426-D429 WeakPolarHBondContact CG2-OD2 3.4Å; T426-D429 PolarHBondContact N-OD2 3.4Å; T426-D429 WeakPolarHBondContact O-CB 3.33Å; T426-D429 PolarHBondContact O-N 3.15Å; T427-D429 PolarHBondContact O-N 3.26Å
430	F	96.7	Very high	93.8	Very high	16 Å²	16	60.7 Å²	60.7	7%	0.07	29%	0.291	C	S	.	.	S	Bend	trans	-66.2	139.3	178.1	-70	-29.6	0	0	0	111.5	T319 P410 T414 P416 I424 T427 I435	T319-F430 HydrophobicContact CG2-CE2 4.14Å; T319-F430 HydrophobicContact CG2-CZ 4.47Å; P410-F430 HydrophobicContact CG-CD1 3.69Å; P410-F430 HydrophobicContact CG-CE1 3.78Å; T414-F430 WeakPolarHBondContact O-CZ 3.35Å; P416-F430 HydrophobicContact CB-CE1 4.37Å; P416-F430 HydrophobicContact CB-CZ 4.41Å; I424-F430 HydrophobicContact CG2-CD1 3.62Å; I424-F430 HydrophobicContact CG2-CE1 3.64Å; T427-F430 HydrophobicContact CG2-CD2 4.21Å; T427-F430 HydrophobicContact CG2-CE2 3.55Å; T427-F430 HydrophobicContact CG2-CZ 4.04Å; T427-F430 WeakPolarHBondContact O-CB 3.44Å; T427-F430 WeakPolarHBondContact O-CD2 3.16Å; T427-F430 PolarHBondContact O-N 2.91Å; F430-I435 HydrophobicContact CB-CD1 3.87Å; F430-I435 HydrophobicContact CB-CG1 4.12Å; F430-I435 HydrophobicContact CD2-CD1 3.92Å; F430-I435 HydrophobicContact CG-CD1 4.43Å
431	P	96.3	Very high	94.2	Very high	54 Å²	54	55.9 Å²	55.9	35%	0.351	27%	0.273	S	S	.	.			trans	-59.8	146	174.6	-23.7	34.3	0	0	0	112.9	E433 V434 I435	P431-E433 PolarHBondContact O-N 3.02Å; P431-V434 HydrophobicContact CB-CG2 4.4Å; P431-V434 HydrophobicContact CG-CG2 4.36Å; P431-V434 PolarHBondContact O-N 3.17Å; P431-I435 PolarHBondContact O-N 2.86Å
432	D	96.1	Very high	94.5	Very high	80 Å²	80	54.7 Å²	54.7	43%	0.428	27%	0.267	S	S	.	.	H	α-helix	trans	-55.5	-28	176.7	-74	-38.3	0	0	0	112.2	R311 S436	R311-D432 IonicContact CZ-OD2 2.77Å; R311-D432 IonicContact NH1-OD2 3.93Å; R311-D432 PolarHBondContact NH1-OD2 2.93Å; D432-S436 VanDerWaalsContact O-CB 3.24Å; D432-S436 WeakPolarHBondContact O-CB 3.31Å; D432-S436 PolarHBondContact O-N 2.82Å
433	E	96.3	Very high	94.8	Very high	101 Å²	101	50.5 Å²	50.5	47%	0.472	24%	0.239	S	C	.	.	H	α-helix	trans	-62.5	-43.2	173.2	-168.1	-176.5	-173.2	0	0	112.7	P408 P431 F437	P408-E433 HydrophobicContact CB-CB 4.46Å; P408-E433 HydrophobicContact CB-CG 3.82Å; P408-E433 HydrophobicContact CG-CG 4.47Å; P431-E433 PolarHBondContact O-N 3.02Å; E433-F437 WeakPolarHBondContact O-CB 3.19Å; E433-F437 PolarHBondContact O-N 3.49Å
434	V	97.1	Very high	95.1	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.018	20%	0.203	C	C	.	.	H	α-helix	trans	-70.2	-42.2	179	178.2	0	0	0	0	110.8	P408 Y409 P410 P412 P431 F437 I438	P408-V434 HydrophobicContact CB-CG2 3.93Å; P408-V434 HydrophobicContact CG-CG2 4.07Å; Y409-V434 WeakPolarHBondContact O-CG2 3.13Å; P410-V434 WeakPolarHBondContact O-CG2 3.43Å; P412-V434 HydrophobicContact CG-CG1 4.3Å; P431-V434 HydrophobicContact CB-CG2 4.4Å; P431-V434 HydrophobicContact CG-CG2 4.36Å; P431-V434 PolarHBondContact O-N 3.17Å; V434-F437 PolarHBondContact O-N 2.84Å; V434-I438 PolarHBondContact O-N 3.46Å
435	I	96.3	Very high	95.2	Very high	7 Å²	7	43.8 Å²	43.8	4%	0.036	22%	0.216	C	C	.	.	H	α-helix	trans	-65.1	-39.5	177	-60.6	-60	0	0	0	111.3	L313 T318 F430 P431 R439	L313-I435 HydrophobicContact CB-CG2 4.26Å; L313-I435 HydrophobicContact CD1-CG2 4.01Å; L313-I435 HydrophobicContact CG-CG2 4Å; T318-I435 HydrophobicContact CG2-CD1 3.61Å; F430-I435 HydrophobicContact CB-CD1 3.87Å; F430-I435 HydrophobicContact CB-CG1 4.12Å; F430-I435 HydrophobicContact CD2-CD1 3.92Å; F430-I435 HydrophobicContact CG-CD1 4.43Å; P431-I435 PolarHBondContact O-N 2.86Å; I435-R439 PolarHBondContact O-N 3.42Å
436	S	94.6	Very high	95.5	Very high	63 Å²	63	41.3 Å²	41.3	44%	0.441	21%	0.207	S	C	.	.	H	α-helix	trans	-65.7	-48.9	173.6	-168	0	0	0	0	111	D432 I438 R439 F440	D432-S436 VanDerWaalsContact O-CB 3.24Å; D432-S436 WeakPolarHBondContact O-CB 3.31Å; D432-S436 PolarHBondContact O-N 2.82Å; S436-I438 PolarHBondContact O-N 3.13Å; S436-R439 WeakPolarHBondContact O-CB 3.15Å; S436-R439 PolarHBondContact O-N 2.86Å; S436-F440 WeakPolarHBondContact O-CD2 3.26Å
437	F	95.6	Very high	95.6	Very high	18 Å²	18	41.2 Å²	41.2	8%	0.079	21%	0.208	C	C	.	.	H	α-helix	trans	-55.6	-53.8	-179	-171	-77.3	0	0	0	112.1	Y390 Y403 P408 P412 E433 V434 R439 F440 H441	Y390-F437 HydrophobicContact CD1-CE1 4.1Å; Y390-F437 AromaticContact CD2-CE1 3.79Å; Y390-F437 HydrophobicContact CD2-CE1 3.79Å; Y390-F437 AromaticContact CD2-CZ 3.89Å; Y390-F437 HydrophobicContact CD2-CZ 3.89Å; Y390-F437 HydrophobicContact CE1-CE1 4.35Å; Y390-F437 HydrophobicContact CE2-CE1 4.07Å; Y390-F437 HydrophobicContact CE2-CZ 4.38Å; Y390-F437 AromaticContact CG-CE1 3.83Å; Y390-F437 HydrophobicContact CG-CE1 3.83Å; Y390-F437 HydrophobicContact CG-CZ 4.18Å; Y403-F437 HydrophobicContact CD1-CE2 4.04Å; Y403-F437 AromaticContact CD1-CZ 3.87Å; Y403-F437 HydrophobicContact CD1-CZ 3.87Å; Y403-F437 AromaticContact CE1-CE2 3.47Å; Y403-F437 HydrophobicContact CE1-CE2 3.47Å; Y403-F437 VanDerWaalsContact CE1-CE2 3.47Å; Y403-F437 AromaticContact CE1-CZ 3.79Å; Y403-F437 HydrophobicContact CE1-CZ 3.79Å; Y403-F437 HydrophobicContact CE2-CE2 4.35Å; Y403-F437 HydrophobicContact CG-CZ 4.41Å; Y403-F437 AromaticContact CZ-CE2 3.66Å; P408-F437 HydrophobicContact CG-CB 3.84Å; P408-F437 HydrophobicContact CG-CD2 4.04Å; P408-F437 HydrophobicContact CG-CG 3.98Å; P412-F437 HydrophobicContact CB-CD1 3.88Å; P412-F437 HydrophobicContact CB-CE1 4.37Å; P412-F437 HydrophobicContact CG-CB 4.2Å; P412-F437 HydrophobicContact CG-CD1 3.41Å; P412-F437 VanDerWaalsContact CG-CD1 3.41Å; P412-F437 HydrophobicContact CG-CE1 3.98Å; P412-F437 HydrophobicContact CG-CG 3.93Å; E433-F437 WeakPolarHBondContact O-CB 3.19Å; E433-F437 PolarHBondContact O-N 3.49Å; V434-F437 PolarHBondContact O-N 2.84Å; F437-R439 PolarHBondContact O-N 3.31Å; F437-F440 PolarHBondContact O-N 2.65Å; F437-F440 VanDerWaalsContact O-N 3.11Å; F437-H441 HydrophobicContact CD1-CB 3.74Å; F437-H441 AromaticContact CD1-ND1 3.99Å; F437-H441 HydrophobicContact CE1-CB 3.43Å; F437-H441 VanDerWaalsContact CE1-CB 3.43Å; F437-H441 AromaticContact CE1-CG 3.68Å; F437-H441 HydrophobicContact CZ-CB 4.11Å; F437-H441 AromaticContact CZ-CG 3.88Å; F437-H441 WeakPolarHBondContact O-CB 3.38Å; F437-H441 PolarHBondContact O-N 3.11Å; F437-H441 PolarHBondContact O-ND1 3.33Å
438	I	94.8	Very high	95.8	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.01	21%	0.208	C	C	.	.	H	α-helix	trans	-66.8	-25.5	-176	-152	178.2	0	0	0	112.7	L313 T318 F320 L321 P412 V434 S436 F440	L313-I438 HydrophobicContact CD1-CG2 4Å; T318-I438 WeakPolarHBondContact O-CD1 3.37Å; F320-I438 WeakPolarHBondContact O-CD1 3.12Å; L321-I438 HydrophobicContact CD2-CD1 4.19Å; L321-I438 HydrophobicContact CD2-CG1 4.12Å; L321-I438 HydrophobicContact CG-CD1 4.49Å; P412-I438 HydrophobicContact CB-CB 4.14Å; P412-I438 HydrophobicContact CB-CD1 4.43Å; P412-I438 HydrophobicContact CB-CG1 4.22Å; V434-I438 PolarHBondContact O-N 3.46Å; S436-I438 PolarHBondContact O-N 3.13Å; I438-F440 PolarHBondContact O-N 2.99Å
439	R	93.3	Very high	95.9	Very high	75 Å²	75	44.3 Å²	44.3	28%	0.283	22%	0.218	S	C	.	.	H	α-helix	trans	-61.4	-33.6	174.3	179.1	177.3	172.3	179.2	-1.6	112.5	E253 Y255 W256 L313 I435 S436 F437	E253-R439 IonicContact OE1-CZ 2.77Å; E253-R439 IonicContact OE1-NE 2.73Å; E253-R439 PolarHBondContact OE1-NE 3.4Å; E253-R439 IonicContact OE1-NH2 2.84Å; E253-R439 PolarHBondContact OE1-NH2 3.21Å; Y255-R439 VanDerWaalsContact CE2-O 3.22Å; Y255-R439 WeakPolarHBondContact CE2-O 3.43Å; Y255-R439 PolarHBondContact OH-O 2.94Å; W256-R439 PolarHBondContact NE1-O 3.47Å; L313-R439 HydrophobicContact CD1-CB 4.35Å; L313-R439 HydrophobicContact CD2-CB 4.44Å; L313-R439 HydrophobicContact CD2-CG 4.35Å; I435-R439 PolarHBondContact O-N 3.42Å; S436-R439 WeakPolarHBondContact O-CB 3.15Å; S436-R439 PolarHBondContact O-N 2.86Å; F437-R439 PolarHBondContact O-N 3.31Å
440	F	91.4	Very high	95.9	Very high	79 Å²	79	41.3 Å²	41.3	35%	0.346	20%	0.203	S	C	.	.	H	α-helix	trans	-104.2	-17.3	-177.5	-58.6	-69.3	0	0	0	113.4	Y255 S436 F437 I438 P442	Y255-F440 WeakPolarHBondContact OH-CD1 3.48Å; S436-F440 WeakPolarHBondContact O-CD2 3.26Å; F437-F440 PolarHBondContact O-N 2.65Å; F437-F440 VanDerWaalsContact O-N 3.11Å; I438-F440 PolarHBondContact O-N 2.99Å; F440-P442 WeakPolarHBondContact O-CD 3.41Å
441	H	94	Very high	95.7	Very high	10 Å²	10	45.5 Å²	45.5	5%	0.046	23%	0.226	C	C	.	.			trans	-120.6	52.4	-177.4	-58.2	84.4	0	0	0	114.4	H392 Y403 F437 L443	H392-H441 WeakPolarHBondContact CB-NE2 3.48Å; Y403-H441 AromaticContact CD2-NE2 3.64Å; Y403-H441 AromaticContact CE2-NE2 3.83Å; F437-H441 HydrophobicContact CD1-CB 3.74Å; F437-H441 AromaticContact CD1-ND1 3.99Å; F437-H441 HydrophobicContact CE1-CB 3.43Å; F437-H441 VanDerWaalsContact CE1-CB 3.43Å; F437-H441 AromaticContact CE1-CG 3.68Å; F437-H441 HydrophobicContact CZ-CB 4.11Å; F437-H441 AromaticContact CZ-CG 3.88Å; F437-H441 WeakPolarHBondContact O-CB 3.38Å; F437-H441 PolarHBondContact O-N 3.11Å; F437-H441 PolarHBondContact O-ND1 3.33Å; H441-L443 VanDerWaalsContact C-N 3.28Å; H441-L443 PolarHBondContact O-N 3.43Å
442	P	94.8	Very high	95.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.232	C	C	.	.			trans	-77.9	-8.2	178.4	33.9	-37.3	0	0	0	114	Y255 W256 F320 L321 K322 F440	Y255-P442 HydrophobicContact CD2-CG 3.68Å; Y255-P442 HydrophobicContact CE2-CG 3.99Å; W256-P442 HydrophobicContact CG-CG 4.4Å; F320-P442 HydrophobicContact CD1-CB 3.74Å; F320-P442 HydrophobicContact CE1-CB 3.85Å; L321-P442 CarbonylContact C-O 3.47Å; L321-P442 WeakPolarHBondContact CA-O 3.23Å; K322-P442 PolarHBondContact N-O 3.13Å; F440-P442 WeakPolarHBondContact O-CD 3.41Å
443	L	95.6	Very high	95	Very high	7 Å²	7	44 Å²	44	4%	0.037	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-101.2	133.9	-176.6	177.8	64.9	0	0	0	110.9	E289 K322 A391 W400 H441	E289-L443 HydrophobicContact CG-CD2 4.41Å; E289-L443 WeakPolarHBondContact OE1-CD2 3.37Å; K322-L443 HydrophobicContact CG-CD1 4.03Å; K322-L443 WeakPolarHBondContact O-CA 3.3Å; A391-L443 HydrophobicContact CB-CB 4.23Å; A391-L443 HydrophobicContact CB-CD2 3.82Å; A391-L443 HydrophobicContact CB-CG 3.83Å; A391-L443 PolarHBondContact N-O 2.92Å; W400-L443 HydrophobicContact CD2-CD2 4.04Å; W400-L443 HydrophobicContact CE3-CD2 3.83Å; W400-L443 HydrophobicContact CH2-CD2 4.37Å; W400-L443 HydrophobicContact CZ3-CB 4.37Å; W400-L443 HydrophobicContact CZ3-CD2 4Å; H441-L443 VanDerWaalsContact C-N 3.28Å; H441-L443 PolarHBondContact O-N 3.43Å
444	M	97.6	Very high	94.8	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.025	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-84.3	142.2	169.1	-50.4	-47.3	-56.5	0	0	110.7	L321 K322 A323 A385 F386 G388 Y390	L321-M444 HydrophobicContact CB-SD 4.22Å; L321-M444 HydrophobicContact CD1-SD 3.91Å; L321-M444 HydrophobicContact CD2-SD 4.07Å; L321-M444 HydrophobicContact CG-SD 4.3Å; K322-M444 WeakPolarHBondContact O-CG 3.44Å; K322-M444 PolarHBondContact O-N 3.33Å; A323-M444 HydrophobicContact CB-CB 4.04Å; A323-M444 HydrophobicContact CB-CG 4.12Å; A385-M444 WeakPolarHBondContact O-CE 3.36Å; F386-M444 HydrophobicContact CD1-CG 3.71Å; F386-M444 HydrophobicContact CD1-SD 4.25Å; F386-M444 HydrophobicContact CE1-CG 4.21Å; G388-M444 WeakPolarHBondContact O-CE 3.16Å; Y390-M444 HydrophobicContact CD1-CE 3.84Å; Y390-M444 HydrophobicContact CD1-SD 3.86Å; Y390-M444 HydrophobicContact CE1-CE 3.92Å; Y390-M444 HydrophobicContact CE1-SD 3.97Å; Y390-M444 HydrophobicContact CG-CE 4.28Å
445	H	96.1	Very high	94.7	Very high	76 Å²	76	43.9 Å²	43.9	35%	0.352	23%	0.234	S	C	.	.	S	Bend	trans	-75	-38.7	177.6	-177.2	60.4	0	0	0	112.2	P389 A391 E402	P389-H445 HydrophobicContact CG-CB 4.27Å; P389-H445 PolarHBondContact O-N 2.97Å; A391-H445 HydrophobicContact CB-CB 4.17Å; E402-H445 HydrophobicContact CG-CB 4.37Å; E402-H445 IonicContact OE2-CD2 3.25Å
446	H	97.4	Very high	94.6	Very high	89 Å²	89	44.8 Å²	44.8	41%	0.412	24%	0.239	S	C	.	.	S	Bend	trans	-71.5	132.3	177	-72	-175	0	0	0	112	A385 P389	A385-H446 HydrophobicContact CB-CB 4.4Å; P389-H446 VanDerWaalsContact CD-CE1 3.5Å; P389-H446 WeakPolarHBondContact CD-CE1 3.43Å
447	S	97.4	Very high	94.6	Very high	36 Å²	36	41.8 Å²	41.8	25%	0.252	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-88	150.8	171.2	-64.3	0	0	0	0	111.5
448	V	98.6	Very high	94.5	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.012	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-92.9	121.5	173.9	-175	0	0	0	0	109.2	V299 A323 R324 L325 V326 Y377 D381 I382 A385	V299-V448 HydrophobicContact CG1-CG2 4.32Å; A323-V448 HydrophobicContact CB-CG2 4.42Å; R324-V448 PolarHBondContact O-N 3.32Å; L325-V448 HydrophobicContact CD2-CB 3.81Å; L325-V448 HydrophobicContact CD2-CG1 3.88Å; V326-V448 PolarHBondContact N-O 3.33Å; Y377-V448 HydrophobicContact CD1-CG1 3.81Å; Y377-V448 HydrophobicContact CE1-CG1 4.48Å; Y377-V448 HydrophobicContact CG-CG1 4.45Å; D381-V448 HydrophobicContact CB-CG1 4.33Å; I382-V448 HydrophobicContact CG1-CG1 3.76Å; I382-V448 HydrophobicContact CG1-CG2 4.28Å; A385-V448 HydrophobicContact CB-CG2 3.62Å
449	Y	97.6	Very high	94.4	Very high	135 Å²	135	42.4 Å²	42.4	53%	0.529	22%	0.223	S	C	.	.			trans	-105.5	155.1	179.4	-71.7	-92.1	0	0	0	111.2	V326 Y377	V326-Y449 HydrophobicContact CB-CD1 4.08Å; V326-Y449 HydrophobicContact CB-CE1 4.04Å; V326-Y449 HydrophobicContact CG1-CD1 4.09Å; V326-Y449 HydrophobicContact CG1-CE1 3.81Å; V326-Y449 HydrophobicContact CG2-CE1 4.3Å; Y377-Y449 WeakPolarHBondContact CD1-O 3.22Å
450	P	96.7	Very high	94.2	Very high	9 Å²	9	39.5 Å²	39.5	6%	0.058	21%	0.213	C	C	.	.			trans	-74.1	154.8	-178.5	32	-35.8	0	0	0	111.5	V326 C375 V376 Y377 A452 G453	V326-P450 WeakPolarHBondContact O-CD 3.37Å; C375-P450 HydrophobicContact CB-CB 4.09Å; V376-P450 CarbonylContact O-C 3.49Å; V376-P450 WeakPolarHBondContact O-CA 3.41Å; V376-P450 WeakPolarHBondContact O-CB 3.48Å; Y377-P450 HydrophobicContact CD1-CB 4.28Å; Y377-P450 HydrophobicContact CE1-CB 4.11Å; P450-A452 PolarHBondContact O-N 2.97Å; P450-G453 PolarHBondContact O-N 2.76Å
451	L	92.6	Very high	93.8	Very high	105 Å²	105	42.7 Å²	42.7	55%	0.55	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-30.8	-176.4	-79.8	173.8	0	0	0	114.6	V376	V376-L451 HydrophobicContact CG1-CD1 4.23Å; V376-L451 PolarHBondContact O-N 3.15Å
452	A	87.3	Confident	93.5	Very high	58 Å²	58	44.1 Å²	44.1	48%	0.479	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	5	179.8	0	0	0	0	0	113.6	P450 Q454	P450-A452 PolarHBondContact O-N 2.97Å; A452-Q454 PolarHBondContact O-N 2.87Å
453	G	91	Very high	93.1	Very high	45 Å²	45	50.7 Å²	50.7	46%	0.464	27%	0.268	S	S	.	.	S	Bend	trans	70.3	-9.9	-172	0	0	0	0	0	115.3	P450	P450-G453 PolarHBondContact O-N 2.76Å
454	Q	91.9	Very high	93	Very high	88 Å²	88	51.2 Å²	51.2	41%	0.411	27%	0.269	S	S	.	.	S	Bend	trans	-146.9	173.6	-178.5	67.6	-178	-1	0	0	110.6	A452	A452-Q454 PolarHBondContact O-N 2.87Å
455	P	94.7	Very high	92.8	Very high	13 Å²	13	52.6 Å²	52.6	8%	0.084	28%	0.28	C	S	.	.			trans	-65.1	155.6	176.5	-19.5	33.2	0	0	0	113.3	S328 I329 A373 V374 T458	S328-P455 WeakPolarHBondContact O-CD 3.44Å; I329-P455 HydrophobicContact CG1-CG 3.89Å; A373-P455 HydrophobicContact CB-CB 4Å; A373-P455 HydrophobicContact CB-CG 3.92Å; V374-P455 CarbonylContact O-C 3.55Å; V374-P455 VanDerWaalsContact O-CA 3.28Å; V374-P455 WeakPolarHBondContact O-CA 3.41Å; V374-P455 WeakPolarHBondContact O-CB 3.49Å; P455-T458 HydrophobicContact CB-CG2 3.88Å; P455-T458 HydrophobicContact CG-CG2 4.12Å
456	V	93.9	Very high	92.9	Very high	25 Å²	25	49 Å²	49	15%	0.152	26%	0.263	C	S	.	.	S	Bend	trans	-94.8	-8.1	173.8	-56.6	0	0	0	0	113.6	Y359 V374 V376 M484 S498	Y359-V456 HydrophobicContact CE1-CG2 4.44Å; V374-V456 HydrophobicContact CB-CG2 4.17Å; V374-V456 HydrophobicContact CG1-CG2 3.98Å; V374-V456 PolarHBondContact O-N 2.75Å; V376-V456 HydrophobicContact CB-CG1 4.34Å; V376-V456 HydrophobicContact CG2-CB 4.28Å; V376-V456 HydrophobicContact CG2-CG1 3.7Å; V376-V456 HydrophobicContact CG2-CG2 3.56Å; V456-M484 HydrophobicContact CG2-CE 4.4Å; V456-M484 HydrophobicContact CG2-SD 4.1Å; V456-S498 PolarHBondContact O-OG 3.5Å
457	F	94.9	Very high	92.9	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	142	174.1	179.3	-115	0	0	0	110.8	A373 V374 R459 L466 M484 L486 L494 V496 E508 I510	A373-F457 WeakPolarHBondContact CA-O 2.97Å; V374-F457 HydrophobicContact CB-CB 4.15Å; V374-F457 HydrophobicContact CG2-CB 4.17Å; V374-F457 HydrophobicContact CG2-CD1 4.06Å; V374-F457 PolarHBondContact N-O 3.11Å; F457-R459 HydrophobicContact CD1-CG 4.44Å; F457-R459 HydrophobicContact CE1-CG 3.5Å; F457-R459 HydrophobicContact CZ-CG 3.59Å; F457-L466 HydrophobicContact CD1-CD1 4.14Å; F457-L466 HydrophobicContact CE1-CD1 4.01Å; F457-M484 HydrophobicContact CB-CE 4.09Å; F457-L486 HydrophobicContact CD1-CD1 3.39Å; F457-L486 HydrophobicContact CE1-CD1 3.28Å; F457-L486 HydrophobicContact CG-CD1 4.35Å; F457-L486 HydrophobicContact CZ-CD1 4.19Å; F457-L494 HydrophobicContact CE1-CD1 4.28Å; F457-L494 HydrophobicContact CZ-CD1 4.13Å; F457-V496 HydrophobicContact CD2-CG1 3.65Å; F457-V496 HydrophobicContact CE1-CG2 4.38Å; F457-V496 HydrophobicContact CE2-CG1 3.73Å; F457-V496 HydrophobicContact CE2-CG2 4.15Å; F457-V496 HydrophobicContact CG-CG1 4.22Å; F457-V496 HydrophobicContact CZ-CG1 4.36Å; F457-V496 HydrophobicContact CZ-CG2 3.98Å; F457-E508 WeakPolarHBondContact CA-OE1 3.44Å; F457-E508 HydrophobicContact CD2-CB 4.16Å; F457-E508 HydrophobicContact CD2-CG 4.1Å; F457-E508 WeakPolarHBondContact CD2-OE2 3.49Å; F457-I510 HydrophobicContact CE2-CD1 3.94Å; F457-I510 HydrophobicContact CE2-CG1 3.82Å; F457-I510 HydrophobicContact CZ-CD1 3.79Å; F457-I510 HydrophobicContact CZ-CG1 4.08Å
458	T	93.9	Very high	92.9	Very high	26 Å²	26	46.2 Å²	46.2	16%	0.16	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	137.6	-176.3	60.6	0	0	0	0	112.6	I329 P455 E508	I329-T458 HydrophobicContact CD1-CG2 3.86Å; P455-T458 HydrophobicContact CB-CG2 3.88Å; P455-T458 HydrophobicContact CG-CG2 4.12Å; T458-E508 VanDerWaalsContact N-CD 3.26Å; T458-E508 PolarHBondContact N-OE1 2.91Å; T458-E508 PolarHBondContact N-OE2 2.98Å; T458-E508 VanDerWaalsContact N-OE2 3.1Å; T458-E508 PolarHBondContact OG1-OE1 3.37Å
459	R	91.9	Very high	92.9	Very high	8 Å²	8	46.2 Å²	46.2	3%	0.03	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	106.3	175.7	-72.4	-65.3	97.2	166.4	13.1	109.8	S60 G371 S372 F457 V462 Y464 E508 I510	S60-R459 PolarHBondContact O-NH1 2.66Å; S60-R459 PolarHBondContact O-NH2 3.47Å; S60-R459 VanDerWaalsContact O-NH2 3.15Å; G371-R459 CarbonylContact C-O 3.18Å; G371-R459 VanDerWaalsContact CA-O 3.23Å; G371-R459 WeakPolarHBondContact CA-O 3.33Å; S372-R459 PolarHBondContact N-O 3.2Å; S372-R459 PolarHBondContact O-N 2.75Å; F457-R459 HydrophobicContact CD1-CG 4.44Å; F457-R459 HydrophobicContact CE1-CG 3.5Å; F457-R459 HydrophobicContact CZ-CG 3.59Å; R459-V462 HydrophobicContact CB-CG2 4.19Å; R459-Y464 HydrophobicContact CG-CE2 4.45Å; R459-E508 IonicContact NH2-OE2 2.76Å; R459-I510 VanDerWaalsContact NH1-CD1 3.29Å
460	V	89	Confident	92.9	Very high	13 Å²	13	40 Å²	40	8%	0.079	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	165.9	172.8	-61.5	0	0	0	0	109.5	Q59 F369 V462	Q59-V460 VanDerWaalsContact CD-O 3.32Å; Q59-V460 PolarHBondContact NE2-O 2.85Å; Q59-V460 PolarHBondContact OE1-O 3.32Å; Q59-V460 VanDerWaalsContact OE1-O 3.11Å; F369-V460 HydrophobicContact CE1-CG1 4.03Å; F369-V460 HydrophobicContact CE2-CB 4.34Å; F369-V460 HydrophobicContact CZ-CB 3.82Å; F369-V460 HydrophobicContact CZ-CG1 3.59Å; V460-V462 PolarHBondContact O-N 3.44Å
461	R	83.3	Confident	93	Very high	147 Å²	147	39.6 Å²	39.6	56%	0.555	22%	0.221	S	C	*	.	S	Bend	trans	55.1	21.1	169.8	-54.6	-176.4	-67	-170.7	0.9	115.7	I57 R370	I57-R461 PolarHBondContact O-NH2 2.97Å; R370-R461 PolarHBondContact O-N 2.71Å
462	V	87.1	Confident	93.2	Very high	40 Å²	40	35.2 Å²	35.2	24%	0.242	20%	0.198	C	C	.	.	S	Bend	trans	-101.3	163.3	170.4	-73.4	0	0	0	0	109.7	R459 V460 Y464	R459-V462 HydrophobicContact CB-CG2 4.19Å; V460-V462 PolarHBondContact O-N 3.44Å; V462-Y464 HydrophobicContact CB-CD1 4.21Å; V462-Y464 HydrophobicContact CB-CE1 3.99Å; V462-Y464 HydrophobicContact CG1-CE1 4.21Å; V462-Y464 HydrophobicContact CG2-CD2 4.2Å; V462-Y464 HydrophobicContact CG2-CE1 4.35Å; V462-Y464 HydrophobicContact CG2-CE2 4.01Å; V462-Y464 HydrophobicContact CG2-CG 4.45Å; V462-Y464 WeakPolarHBondContact CG2-O 3.47Å
463	D	87.8	Confident	93.6	Very high	138 Å²	138	35.9 Å²	35.9	74%	0.738	19%	0.188	S	C	*	.	S	Bend	trans	-80.2	-18.4	-178.7	56.2	-24.3	0	0	0	113.8
464	Y	92.1	Very high	93.8	Very high	17 Å²	17	34.2 Å²	34.2	7%	0.067	17%	0.169	C	C	.	.			trans	-104	162.6	176.9	61.8	-98.4	0	0	0	113.9	R459 V462 L466 T488 D489 L494	R459-Y464 HydrophobicContact CG-CE2 4.45Å; V462-Y464 HydrophobicContact CB-CD1 4.21Å; V462-Y464 HydrophobicContact CB-CE1 3.99Å; V462-Y464 HydrophobicContact CG1-CE1 4.21Å; V462-Y464 HydrophobicContact CG2-CD2 4.2Å; V462-Y464 HydrophobicContact CG2-CE1 4.35Å; V462-Y464 HydrophobicContact CG2-CE2 4.01Å; V462-Y464 HydrophobicContact CG2-CG 4.45Å; V462-Y464 WeakPolarHBondContact CG2-O 3.47Å; Y464-L466 HydrophobicContact CE2-CD2 4.29Å; Y464-T488 HydrophobicContact CD2-CG2 3.55Å; Y464-T488 HydrophobicContact CE2-CG2 3.93Å; Y464-T488 HydrophobicContact CG-CG2 4.08Å; Y464-D489 WeakPolarHBondContact CA-OD1 3.31Å; Y464-D489 VanDerWaalsContact CB-OD1 3.25Å; Y464-D489 WeakPolarHBondContact CB-OD1 3.27Å; Y464-L494 HydrophobicContact CE2-CD1 4.05Å
465	S	94.8	Very high	93.8	Very high	35 Å²	35	34.1 Å²	34.1	25%	0.245	17%	0.17	C	C	.	.			trans	-116.2	154.7	164.9	69.7	0	0	0	0	111.5	T488 D489	S465-T488 VanDerWaalsContact O-CA 3.27Å; S465-T488 WeakPolarHBondContact O-CA 3.27Å; S465-D489 WeakPolarHBondContact CB-OD2 3.47Å; S465-D489 VanDerWaalsContact N-CG 3.28Å; S465-D489 PolarHBondContact N-OD1 2.77Å; S465-D489 PolarHBondContact N-OD2 2.81Å; S465-D489 VanDerWaalsContact N-OD2 3.16Å; S465-D489 PolarHBondContact O-N 2.91Å; S465-D489 VanDerWaalsContact O-N 3.11Å; S465-D489 VanDerWaalsContact OG-CG 3.27Å; S465-D489 PolarHBondContact OG-OD2 3.48Å
466	L	97.4	Very high	93.6	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	132.5	174.2	-57	-179.5	0	0	0	109.9	V361 S372 V374 F457 Y464 L486 G487 T488 L494	V361-L466 HydrophobicContact CG1-CB 3.58Å; S372-L466 PolarHBondContact OG-N 3.48Å; S372-L466 VanDerWaalsContact OG-N 3.08Å; V374-L466 HydrophobicContact CG2-CD1 4.35Å; F457-L466 HydrophobicContact CD1-CD1 4.14Å; F457-L466 HydrophobicContact CE1-CD1 4.01Å; Y464-L466 HydrophobicContact CE2-CD2 4.29Å; L466-L486 HydrophobicContact CD1-CD1 4.17Å; L466-L486 HydrophobicContact CD2-CB 4.15Å; L466-G487 WeakPolarHBondContact CA-O 3.44Å; L466-T488 HydrophobicContact CD2-CG2 4.26Å; L466-L494 HydrophobicContact CD2-CD1 3.98Å
467	T	96.4	Very high	93.4	Very high	26 Å²	26	36.3 Å²	36.3	16%	0.16	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	-38.8	-177.2	58.6	0	0	0	0	113.5	D344 G487 D489 I523	D344-T467 WeakPolarHBondContact CB-O 3.29Å; T467-G487 PolarHBondContact N-O 2.92Å; T467-G487 PolarHBondContact OG1-O 2.88Å; T467-D489 HydrophobicContact CG2-CB 3.97Å; T467-I523 PolarHBondContact OG1-O 2.63Å
468	H	97.6	Very high	93	Very high	39 Å²	39	40.1 Å²	40.1	18%	0.181	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	157.9	-172.8	-66.8	87.1	0	0	0	112.5	D344 L486 G487 I523 L524 L526	D344-H468 WeakPolarHBondContact OD2-CA 3.22Å; D344-H468 WeakPolarHBondContact OD2-CB 3.35Å; D344-H468 IonicContact OD2-CD2 2.75Å; D344-H468 IonicContact OD2-CG 2.66Å; H468-L486 CarbonylContact O-C 3.52Å; H468-L486 WeakPolarHBondContact O-CA 3.3Å; H468-G487 PolarHBondContact O-N 2.91Å; H468-I523 PolarHBondContact CE1-O 3.34Å; H468-I523 PolarHBondContact ND1-O 3.11Å; H468-I523 VanDerWaalsContact ND1-O 3.15Å; H468-L524 VanDerWaalsContact CE1-C 3.42Å; H468-L524 PolarHBondContact CE1-O 3.26Å; H468-L524 PolarHBondContact NE2-O 3.21Å; H468-L526 HydrophobicContact CB-CB 3.81Å; H468-L526 HydrophobicContact CB-CD2 4.11Å
469	I	98.6	Very high	92.8	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	136.5	176.1	-178.2	162.3	0	0	0	112.3	D344 F346 Y359 V361 V374 V471 M484 F485 L486	D344-I469 HydrophobicContact CB-CG2 4.29Å; D344-I469 PolarHBondContact OD2-N 2.74Å; F346-I469 HydrophobicContact CB-CG2 4.06Å; Y359-I469 HydrophobicContact CD1-CD1 3.92Å; Y359-I469 HydrophobicContact CG-CD1 4.42Å; V361-I469 HydrophobicContact CG2-CB 3.59Å; V361-I469 HydrophobicContact CG2-CD1 4.34Å; V361-I469 HydrophobicContact CG2-CG2 3.6Å; V374-I469 HydrophobicContact CG1-CD1 3.69Å; V374-I469 HydrophobicContact CG2-CD1 4.32Å; I469-V471 HydrophobicContact CD1-CG2 3.98Å; I469-V471 HydrophobicContact CG1-CG2 3.87Å; I469-M484 HydrophobicContact CD1-CB 4.5Å; I469-M484 HydrophobicContact CD1-CG 4.28Å; I469-M484 HydrophobicContact CD1-SD 4.35Å; I469-F485 WeakPolarHBondContact CA-O 3.32Å; I469-L486 HydrophobicContact CB-CD2 3.86Å; I469-L486 HydrophobicContact CD1-CD2 3.58Å; I469-L486 HydrophobicContact CG1-CD2 3.65Å
470	V	98.6	Very high	92.9	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.024	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	150.3	158.2	-61.6	0	0	0	0	109.6	F346 F485 L526 I528 L535	F346-V470 HydrophobicContact CD2-CB 3.99Å; F346-V470 HydrophobicContact CD2-CG1 3.89Å; F346-V470 HydrophobicContact CE2-CB 3.86Å; F346-V470 HydrophobicContact CE2-CG1 3.94Å; F346-V470 HydrophobicContact CZ-CB 4.46Å; V470-F485 HydrophobicContact CG2-CB 3.86Å; V470-F485 PolarHBondContact N-O 3.24Å; V470-F485 PolarHBondContact O-N 3.38Å; V470-L526 HydrophobicContact CG1-CB 4.31Å; V470-L526 HydrophobicContact CG1-CD2 4.37Å; V470-L526 HydrophobicContact CG1-CG 4.06Å; V470-L526 WeakPolarHBondContact CG1-O 3.22Å; V470-L526 HydrophobicContact CG2-CD2 3.95Å; V470-L526 HydrophobicContact CG2-CG 3.92Å; V470-I528 HydrophobicContact CB-CB 4.15Å; V470-I528 HydrophobicContact CB-CG2 3.91Å; V470-I528 HydrophobicContact CG1-CG2 4.34Å; V470-I528 HydrophobicContact CG2-CB 3.92Å; V470-I528 HydrophobicContact CG2-CD1 4.2Å; V470-I528 HydrophobicContact CG2-CG2 4.23Å; V470-L535 HydrophobicContact CG2-CD1 3.43Å; V470-L535 VanDerWaalsContact CG2-CD1 3.43Å
471	V	98.1	Very high	93.1	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.012	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	129.9	-174.2	-169.2	0	0	0	0	110.8	F346 L348 Y359 I469 E482 V483 M484	F346-V471 HydrophobicContact CD1-CB 3.83Å; F346-V471 HydrophobicContact CD1-CG2 3.86Å; F346-V471 HydrophobicContact CE1-CB 3.78Å; F346-V471 HydrophobicContact CE1-CG2 4.32Å; F346-V471 WeakPolarHBondContact CE1-O 3.43Å; F346-V471 WeakPolarHBondContact CZ-O 3.36Å; L348-V471 HydrophobicContact CD1-CB 4.47Å; L348-V471 HydrophobicContact CD2-CG1 4.07Å; Y359-V471 HydrophobicContact CD1-CG2 3.78Å; Y359-V471 HydrophobicContact CD2-CG2 4.1Å; Y359-V471 HydrophobicContact CE1-CG2 4.16Å; Y359-V471 HydrophobicContact CE2-CG1 4.36Å; Y359-V471 HydrophobicContact CE2-CG2 4.46Å; Y359-V471 HydrophobicContact CG-CG2 3.74Å; I469-V471 HydrophobicContact CD1-CG2 3.98Å; I469-V471 HydrophobicContact CG1-CG2 3.87Å; V471-E482 HydrophobicContact CG1-CB 4.09Å; V471-V483 WeakPolarHBondContact CA-O 3.37Å; V471-M484 HydrophobicContact CG1-CG 4.39Å; V471-M484 HydrophobicContact CG2-CG 4.05Å
472	D	97.3	Very high	93.7	Very high	12 Å²	12	41.6 Å²	41.6	6%	0.064	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	144.6	172	-162.6	15.6	0	0	0	110.6	V474 E482 V483 F485 I528 S530 Y568	D472-V474 HydrophobicContact CB-CG2 4.19Å; D472-E482 WeakPolarHBondContact O-CA 3.44Å; D472-V483 PolarHBondContact N-O 2.95Å; D472-V483 PolarHBondContact O-N 2.9Å; D472-F485 HydrophobicContact CB-CE2 4.46Å; D472-I528 HydrophobicContact CB-CD1 3.87Å; D472-S530 VanDerWaalsContact CG-OG 3.29Å; D472-S530 VanDerWaalsContact OD1-CB 3.26Å; D472-S530 WeakPolarHBondContact OD1-CB 3.43Å; D472-S530 PolarHBondContact OD1-OG 3.42Å; D472-Y568 WeakPolarHBondContact CB-OH 3.32Å; D472-Y568 VanDerWaalsContact CG-OH 3.28Å; D472-Y568 WeakPolarHBondContact OD2-CE1 3.47Å; D472-Y568 PolarHBondContact OD2-OH 2.91Å
473	R	95.6	Very high	94.2	Very high	72 Å²	72	39.7 Å²	39.7	27%	0.272	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	100.4	174.1	-171.8	177.4	-68.3	121.1	-3.7	109.7	L348 P349 Q480 E482	L348-R473 VanDerWaalsContact CD2-NH2 3.34Å; P349-R473 PolarHBondContact O-NH1 2.93Å; R473-Q480 HydrophobicContact CG-CB 4.42Å; R473-E482 HydrophobicContact CG-CG 4.27Å; R473-E482 IonicContact CZ-OE1 2.63Å; R473-E482 IonicContact NE-OE1 3.86Å; R473-E482 PolarHBondContact NE-OE1 2.78Å; R473-E482 IonicContact NH2-OE1 2.7Å; R473-E482 PolarHBondContact NH2-OE1 2.87Å
474	V	94.6	Very high	94.7	Very high	10 Å²	10	33.1 Å²	33.1	6%	0.061	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	135.6	-168.6	-166.6	0	0	0	0	110.6	D472 Q480 Y481 V483 P567 Y568	D472-V474 HydrophobicContact CB-CG2 4.19Å; V474-Q480 WeakPolarHBondContact O-CA 3.26Å; V474-Y481 PolarHBondContact N-O 3.45Å; V474-Y481 PolarHBondContact O-N 2.9Å; V474-V483 HydrophobicContact CB-CG2 4.42Å; V474-V483 HydrophobicContact CG2-CB 4.19Å; V474-V483 HydrophobicContact CG2-CG2 3.69Å; V474-P567 HydrophobicContact CB-CB 4Å; V474-P567 HydrophobicContact CG1-CB 3.83Å; V474-Y568 HydrophobicContact CB-CE1 4.45Å; V474-Y568 HydrophobicContact CG1-CD1 3.72Å; V474-Y568 HydrophobicContact CG1-CD2 4.33Å; V474-Y568 HydrophobicContact CG1-CE1 3.91Å; V474-Y568 HydrophobicContact CG1-CG 3.97Å; V474-Y568 HydrophobicContact CG2-CD1 4.24Å; V474-Y568 HydrophobicContact CG2-CD2 4.23Å; V474-Y568 HydrophobicContact CG2-CE1 3.63Å; V474-Y568 HydrophobicContact CG2-CE2 3.68Å
475	M	91.9	Very high	95	Very high	87 Å²	87	32.5 Å²	32.5	43%	0.429	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	136	167.7	-69.7	-62	-39.4	0	0	110.5	Q480 Y579 P581	M475-Q480 HydrophobicContact CE-CG 4.1Å; M475-Q480 HydrophobicContact SD-CG 3.46Å; M475-Q480 WeakPolarHBondContact SD-CG 3.24Å; M475-Q480 PolarHBondContact SD-NE2 2.91Å; M475-Y579 HydrophobicContact CB-CE1 4.28Å; M475-Y579 WeakPolarHBondContact O-CD1 3.5Å; M475-Y579 WeakPolarHBondContact O-CE1 3.5Å; M475-P581 HydrophobicContact CB-CG 4.4Å
476	A	91.8	Very high	95.2	Very high	4 Å²	4	30.8 Å²	30.8	3%	0.033	16%	0.158	C	C	.	.			trans	-120.6	-174.9	167	0	0	0	0	0	110.5	D478 G479 Y481 Y579 I592	A476-D478 WeakPolarHBondContact CB-OD1 3.32Å; A476-G479 PolarHBondContact N-O 3.16Å; A476-Y481 HydrophobicContact CB-CD2 3.91Å; A476-Y481 HydrophobicContact CB-CE2 4.01Å; A476-Y579 VanDerWaalsContact C-CZ 3.42Å; A476-Y579 PolarHBondContact O-OH 3.46Å; A476-Y579 VanDerWaalsContact O-OH 3.14Å; A476-I592 HydrophobicContact CB-CD1 3.46Å; A476-I592 VanDerWaalsContact CB-CD1 3.46Å
477	D	87.8	Confident	95.2	Very high	80 Å²	80	30.8 Å²	30.8	43%	0.428	16%	0.158	S	C	.	.	S	Bend	trans	-73	-32.9	173.6	-158.1	68.5	0	0	0	113.3	Y579	D477-Y579 HydrophobicContact CB-CE2 4.15Å; D477-Y579 PolarHBondContact N-OH 2.88Å
478	D	88.3	Confident	95.3	Very high	80 Å²	80	29.5 Å²	29.5	43%	0.428	15%	0.15	S	C	.	.	S	Bend	trans	-94.9	-18	-176.7	61.9	-33.3	0	0	0	114.3	A476 Y481	A476-D478 WeakPolarHBondContact CB-OD1 3.32Å; D478-Y481 WeakPolarHBondContact OD1-CE2 3.18Å; D478-Y481 PolarHBondContact OD2-OH 3.44Å
479	G	89.8	Confident	95.2	Very high	29 Å²	29	30 Å²	30	30%	0.299	15%	0.154	S	C	.	.			trans	176.7	-152.1	179.6	0	0	0	0	0	116.5	A476	A476-G479 PolarHBondContact N-O 3.16Å
480	Q	92.4	Very high	95	Very high	118 Å²	118	31 Å²	31	55%	0.551	16%	0.163	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-113.7	137.1	168.3	-76.8	-173.8	-26.7	0	0	109.3	R473 V474 M475	R473-Q480 HydrophobicContact CG-CB 4.42Å; V474-Q480 WeakPolarHBondContact O-CA 3.26Å; M475-Q480 HydrophobicContact CE-CG 4.1Å; M475-Q480 HydrophobicContact SD-CG 3.46Å; M475-Q480 WeakPolarHBondContact SD-CG 3.24Å; M475-Q480 PolarHBondContact SD-NE2 2.91Å
481	Y	94.7	Very high	94.8	Very high	27 Å²	27	30.8 Å²	30.8	11%	0.106	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	142.6	177.5	-72.7	-85.4	0	0	0	110.6	V474 A476 D478 V497 I499 P567 I592	V474-Y481 PolarHBondContact N-O 3.45Å; V474-Y481 PolarHBondContact O-N 2.9Å; A476-Y481 HydrophobicContact CB-CD2 3.91Å; A476-Y481 HydrophobicContact CB-CE2 4.01Å; D478-Y481 WeakPolarHBondContact OD1-CE2 3.18Å; D478-Y481 PolarHBondContact OD2-OH 3.44Å; Y481-V497 HydrophobicContact CD1-CG2 3.76Å; Y481-V497 HydrophobicContact CG-CG2 4.28Å; Y481-I499 HydrophobicContact CE1-CG1 4.2Å; Y481-I499 HydrophobicContact CE1-CG2 4.48Å; Y481-P567 HydrophobicContact CD2-CB 4.27Å; Y481-P567 HydrophobicContact CD2-CG 4.15Å; Y481-P567 HydrophobicContact CG-CB 4.41Å; Y481-P567 HydrophobicContact CG-CG 3.9Å; Y481-I592 HydrophobicContact CD1-CG2 3.93Å; Y481-I592 HydrophobicContact CD2-CB 4.44Å; Y481-I592 HydrophobicContact CD2-CD1 4.41Å; Y481-I592 HydrophobicContact CD2-CG1 4.46Å; Y481-I592 HydrophobicContact CD2-CG2 4.28Å; Y481-I592 HydrophobicContact CE1-CB 4.23Å; Y481-I592 HydrophobicContact CE1-CG2 3.52Å; Y481-I592 HydrophobicContact CE2-CB 3.8Å; Y481-I592 HydrophobicContact CE2-CD1 3.98Å; Y481-I592 HydrophobicContact CE2-CG1 4.15Å; Y481-I592 HydrophobicContact CE2-CG2 3.91Å; Y481-I592 HydrophobicContact CG-CG2 4.29Å
482	E	95.6	Very high	94.7	Very high	50 Å²	50	30.7 Å²	30.7	23%	0.234	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	104.9	178.5	-62.3	-175.9	151.2	0	0	107.4	L348 Y359 V471 D472 R473	L348-E482 HydrophobicContact CD2-CB 4.49Å; L348-E482 HydrophobicContact CD2-CG 4.08Å; L348-E482 VanDerWaalsContact CD2-OE1 3.31Å; L348-E482 WeakPolarHBondContact CD2-OE1 3.46Å; Y359-E482 PolarHBondContact OH-OE2 3.25Å; Y359-E482 VanDerWaalsContact OH-OE2 3.07Å; V471-E482 HydrophobicContact CG1-CB 4.09Å; D472-E482 WeakPolarHBondContact O-CA 3.44Å; R473-E482 HydrophobicContact CG-CG 4.27Å; R473-E482 IonicContact CZ-OE1 2.63Å; R473-E482 IonicContact NE-OE1 3.86Å; R473-E482 PolarHBondContact NE-OE1 2.78Å; R473-E482 IonicContact NH2-OE1 2.7Å; R473-E482 PolarHBondContact NH2-OE1 2.87Å
483	V	97.6	Very high	94.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	116.6	-172.1	-177.9	0	0	0	0	108.9	V471 D472 V474 F485 K495 P567 Y568	V471-V483 WeakPolarHBondContact CA-O 3.37Å; D472-V483 PolarHBondContact N-O 2.95Å; D472-V483 PolarHBondContact O-N 2.9Å; V474-V483 HydrophobicContact CB-CG2 4.42Å; V474-V483 HydrophobicContact CG2-CB 4.19Å; V474-V483 HydrophobicContact CG2-CG2 3.69Å; V483-F485 HydrophobicContact CB-CE2 4.45Å; V483-F485 HydrophobicContact CG1-CE2 3.94Å; V483-F485 HydrophobicContact CG1-CZ 4.14Å; V483-K495 HydrophobicContact CG1-CG 3.96Å; V483-P567 HydrophobicContact CG2-CB 4.4Å; V483-P567 HydrophobicContact CG2-CG 3.83Å; V483-Y568 HydrophobicContact CB-CE2 4.27Å; V483-Y568 HydrophobicContact CG1-CE2 4.13Å; V483-Y568 HydrophobicContact CG2-CE2 4.25Å
484	M	98.3	Very high	94.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	128.5	-179.6	-60.4	173.8	-74.2	0	0	109.9	Y359 V374 V456 F457 I469 V471 L486 V496	Y359-M484 HydrophobicContact CD1-CG 4.38Å; Y359-M484 HydrophobicContact CD1-SD 4.17Å; Y359-M484 HydrophobicContact CE1-CG 4.04Å; Y359-M484 HydrophobicContact CE1-SD 3.82Å; V374-M484 HydrophobicContact CB-SD 4.42Å; V374-M484 HydrophobicContact CG1-SD 3.94Å; V456-M484 HydrophobicContact CG2-CE 4.4Å; V456-M484 HydrophobicContact CG2-SD 4.1Å; F457-M484 HydrophobicContact CB-CE 4.09Å; I469-M484 HydrophobicContact CD1-CB 4.5Å; I469-M484 HydrophobicContact CD1-CG 4.28Å; I469-M484 HydrophobicContact CD1-SD 4.35Å; V471-M484 HydrophobicContact CG1-CG 4.39Å; V471-M484 HydrophobicContact CG2-CG 4.05Å; M484-L486 HydrophobicContact CB-CD2 4.13Å; M484-L486 HydrophobicContact CB-CG 4.23Å; M484-V496 HydrophobicContact CB-CB 4.45Å; M484-V496 HydrophobicContact CE-CB 4.25Å; M484-V496 HydrophobicContact CE-CG1 3.95Å; M484-V496 PolarHBondContact N-O 3.14Å; M484-V496 PolarHBondContact O-N 2.95Å
485	F	98.6	Very high	95	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.018	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	118	166.2	-62.3	-94.8	0	0	0	107.4	I469 V470 D472 V483 V493 L494 K495 L526 I528 L535 L548 Y568	I469-F485 WeakPolarHBondContact CA-O 3.32Å; V470-F485 HydrophobicContact CG2-CB 3.86Å; V470-F485 PolarHBondContact N-O 3.24Å; V470-F485 PolarHBondContact O-N 3.38Å; D472-F485 HydrophobicContact CB-CE2 4.46Å; V483-F485 HydrophobicContact CB-CE2 4.45Å; V483-F485 HydrophobicContact CG1-CE2 3.94Å; V483-F485 HydrophobicContact CG1-CZ 4.14Å; F485-V493 HydrophobicContact CB-CG1 4.27Å; F485-V493 HydrophobicContact CD1-CG1 4.4Å; F485-L494 WeakPolarHBondContact CA-O 3.4Å; F485-K495 HydrophobicContact CD1-CB 4.3Å; F485-K495 HydrophobicContact CD1-CG 4.19Å; F485-K495 HydrophobicContact CE1-CB 4.23Å; F485-K495 HydrophobicContact CE1-CD 3.85Å; F485-K495 HydrophobicContact CE1-CG 3.72Å; F485-K495 HydrophobicContact CZ-CD 4.23Å; F485-K495 HydrophobicContact CZ-CG 4.16Å; F485-L526 WeakPolarHBondContact O-CD2 3.34Å; F485-I528 HydrophobicContact CD2-CD1 4.18Å; F485-I528 HydrophobicContact CE2-CD1 4.22Å; F485-L535 HydrophobicContact CB-CD1 4.13Å; F485-L535 HydrophobicContact CB-CD2 4.21Å; F485-L535 HydrophobicContact CD1-CD2 3.94Å; F485-L535 HydrophobicContact CG-CD1 4.31Å; F485-L535 HydrophobicContact CG-CD2 4.28Å; F485-L548 HydrophobicContact CD2-CD2 4.39Å; F485-L548 HydrophobicContact CE1-CD2 3.93Å; F485-L548 HydrophobicContact CE2-CD2 3.79Å; F485-L548 HydrophobicContact CZ-CB 4.1Å; F485-L548 HydrophobicContact CZ-CD2 3.52Å; F485-L548 HydrophobicContact CZ-CG 4.36Å; F485-Y568 HydrophobicContact CE2-CE2 4.41Å; F485-Y568 AromaticContact CZ-CE2 3.98Å; F485-Y568 HydrophobicContact CZ-CE2 3.98Å
486	L	98.6	Very high	95.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	119.1	-170.8	-53.5	170.8	0	0	0	110	V361 V374 F457 L466 H468 I469 M484 V493 L494 V496	V361-L486 HydrophobicContact CG2-CD2 4.39Å; V374-L486 HydrophobicContact CG2-CD1 4.31Å; V374-L486 HydrophobicContact CG2-CD2 3.96Å; F457-L486 HydrophobicContact CD1-CD1 3.39Å; F457-L486 HydrophobicContact CE1-CD1 3.28Å; F457-L486 HydrophobicContact CG-CD1 4.35Å; F457-L486 HydrophobicContact CZ-CD1 4.19Å; L466-L486 HydrophobicContact CD1-CD1 4.17Å; L466-L486 HydrophobicContact CD2-CB 4.15Å; H468-L486 CarbonylContact O-C 3.52Å; H468-L486 WeakPolarHBondContact O-CA 3.3Å; I469-L486 HydrophobicContact CB-CD2 3.86Å; I469-L486 HydrophobicContact CD1-CD2 3.58Å; I469-L486 HydrophobicContact CG1-CD2 3.65Å; M484-L486 HydrophobicContact CB-CD2 4.13Å; M484-L486 HydrophobicContact CB-CG 4.23Å; L486-V493 CarbonylContact O-C 3.58Å; L486-V493 WeakPolarHBondContact O-CA 3.45Å; L486-L494 HydrophobicContact CB-CB 4.28Å; L486-L494 PolarHBondContact N-O 2.82Å; L486-L494 PolarHBondContact O-N 2.81Å; L486-V496 HydrophobicContact CD1-CB 4.47Å; L486-V496 HydrophobicContact CD1-CG2 3.84Å
487	G	98.1	Very high	95.4	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	149.3	175.9	0	0	0	0	0	112.4	L466 T467 H468	L466-G487 WeakPolarHBondContact CA-O 3.44Å; T467-G487 PolarHBondContact N-O 2.92Å; T467-G487 PolarHBondContact OG1-O 2.88Å; H468-G487 PolarHBondContact O-N 2.91Å
488	T	97.2	Very high	95.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	160.9	177.3	71	0	0	0	0	113.5	Y464 S465 L466 A490 G491 S492 I523	Y464-T488 HydrophobicContact CD2-CG2 3.55Å; Y464-T488 HydrophobicContact CE2-CG2 3.93Å; Y464-T488 HydrophobicContact CG-CG2 4.08Å; S465-T488 VanDerWaalsContact O-CA 3.27Å; S465-T488 WeakPolarHBondContact O-CA 3.27Å; L466-T488 HydrophobicContact CD2-CG2 4.26Å; T488-A490 PolarHBondContact O-N 3.2Å; T488-A490 PolarHBondContact OG1-N 3.06Å; T488-G491 PolarHBondContact O-N 2.89Å; T488-G491 PolarHBondContact OG1-N 2.67Å; T488-S492 PolarHBondContact N-O 3.31Å; T488-S492 PolarHBondContact OG1-N 3.35Å; T488-S492 PolarHBondContact OG1-O 2.9Å; T488-S492 VanDerWaalsContact OG1-O 3.05Å; T488-S492 PolarHBondContact OG1-OG 2.92Å; T488-I523 PolarHBondContact O-N 2.94Å; T488-I523 VanDerWaalsContact O-N 3.1Å
489	D	94.9	Very high	95.4	Very high	48 Å²	48	15.7 Å²	15.7	26%	0.257	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-18.7	169	57.7	3.6	0	0	0	113.3	Y464 S465 T467 G491 P522	Y464-D489 WeakPolarHBondContact CA-OD1 3.31Å; Y464-D489 VanDerWaalsContact CB-OD1 3.25Å; Y464-D489 WeakPolarHBondContact CB-OD1 3.27Å; S465-D489 WeakPolarHBondContact CB-OD2 3.47Å; S465-D489 VanDerWaalsContact N-CG 3.28Å; S465-D489 PolarHBondContact N-OD1 2.77Å; S465-D489 PolarHBondContact N-OD2 2.81Å; S465-D489 VanDerWaalsContact N-OD2 3.16Å; S465-D489 PolarHBondContact O-N 2.91Å; S465-D489 VanDerWaalsContact O-N 3.11Å; S465-D489 VanDerWaalsContact OG-CG 3.27Å; S465-D489 PolarHBondContact OG-OD2 3.48Å; T467-D489 HydrophobicContact CG2-CB 3.97Å; D489-G491 VanDerWaalsContact C-N 3.33Å; D489-P522 VanDerWaalsContact O-CA 3.31Å; D489-P522 WeakPolarHBondContact O-CA 3.4Å; D489-P522 VanDerWaalsContact O-CG 3.31Å; D489-P522 WeakPolarHBondContact O-CG 3.44Å
490	A	94.6	Very high	95.1	Very high	24 Å²	24	18.5 Å²	18.5	20%	0.198	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-7.4	172.5	0	0	0	0	0	114.3	T488 S520	T488-A490 PolarHBondContact O-N 3.2Å; T488-A490 PolarHBondContact OG1-N 3.06Å; A490-S520 WeakPolarHBondContact O-CA 3.48Å; A490-S520 PolarHBondContact O-OG 2.92Å
491	G	94.3	Very high	94.3	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	85.8	17.3	-179.1	0	0	0	0	0	115.3	T488 D489 V516 S521	T488-G491 PolarHBondContact O-N 2.89Å; T488-G491 PolarHBondContact OG1-N 2.67Å; D489-G491 VanDerWaalsContact C-N 3.33Å; G491-V516 PolarHBondContact O-N 3.09Å; G491-S521 WeakPolarHBondContact CA-O 3.34Å
492	S	96.1	Very high	93.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	151.1	173.4	63.3	0	0	0	0	111.9	T488 E513 L514 I523	T488-S492 PolarHBondContact N-O 3.31Å; T488-S492 PolarHBondContact OG1-N 3.35Å; T488-S492 PolarHBondContact OG1-O 2.9Å; T488-S492 VanDerWaalsContact OG1-O 3.05Å; T488-S492 PolarHBondContact OG1-OG 2.92Å; S492-E513 PolarHBondContact OG-OE1 3.02Å; S492-L514 CarbonylContact C-O 3.54Å; S492-L514 WeakPolarHBondContact CA-O 3.42Å; S492-I523 VanDerWaalsContact O-CD1 3.27Å; S492-I523 WeakPolarHBondContact O-CD1 3.34Å
493	V	98.1	Very high	91.7	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.006	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	127	168.2	173.7	0	0	0	0	108.9	F485 L486 L514 V516 I523 L535 V537	F485-V493 HydrophobicContact CB-CG1 4.27Å; F485-V493 HydrophobicContact CD1-CG1 4.4Å; L486-V493 CarbonylContact O-C 3.58Å; L486-V493 WeakPolarHBondContact O-CA 3.45Å; V493-L514 HydrophobicContact CB-CB 4.39Å; V493-L514 PolarHBondContact N-O 2.85Å; V493-L514 PolarHBondContact O-N 3.17Å; V493-V516 HydrophobicContact CB-CG2 4.2Å; V493-V516 HydrophobicContact CG2-CG2 3.67Å; V493-I523 HydrophobicContact CG2-CD1 3.48Å; V493-I523 VanDerWaalsContact CG2-CD1 3.48Å; V493-L535 HydrophobicContact CG1-CD2 4.04Å; V493-V537 HydrophobicContact CG2-CG1 4.16Å; V493-V537 HydrophobicContact CG2-CG2 4.15Å
494	L	97.9	Very high	90.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	131.9	167.3	-52.3	176.8	0	0	0	109.3	F457 Y464 L466 F485 L486 V496 I510 E512 E513	F457-L494 HydrophobicContact CE1-CD1 4.28Å; F457-L494 HydrophobicContact CZ-CD1 4.13Å; Y464-L494 HydrophobicContact CE2-CD1 4.05Å; L466-L494 HydrophobicContact CD2-CD1 3.98Å; F485-L494 WeakPolarHBondContact CA-O 3.4Å; L486-L494 HydrophobicContact CB-CB 4.28Å; L486-L494 PolarHBondContact N-O 2.82Å; L486-L494 PolarHBondContact O-N 2.81Å; L494-V496 HydrophobicContact CB-CG2 3.86Å; L494-I510 HydrophobicContact CD1-CD1 4.36Å; L494-E512 CarbonylContact C-O 3.58Å; L494-E512 WeakPolarHBondContact CA-O 3.26Å; L494-E513 HydrophobicContact CD2-CB 3.84Å; L494-E513 HydrophobicContact CD2-CG 3.76Å
495	K	97.9	Very high	89	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	117	167.4	-176.5	-177.7	174.3	179.2	0	108.5	V483 F485 L511 E512 L548 D566	V483-K495 HydrophobicContact CG1-CG 3.96Å; F485-K495 HydrophobicContact CD1-CB 4.3Å; F485-K495 HydrophobicContact CD1-CG 4.19Å; F485-K495 HydrophobicContact CE1-CB 4.23Å; F485-K495 HydrophobicContact CE1-CD 3.85Å; F485-K495 HydrophobicContact CE1-CG 3.72Å; F485-K495 HydrophobicContact CZ-CD 4.23Å; F485-K495 HydrophobicContact CZ-CG 4.16Å; K495-L511 HydrophobicContact CD-CB 4.39Å; K495-L511 HydrophobicContact CD-CD1 4.29Å; K495-L511 HydrophobicContact CG-CB 4.33Å; K495-L511 HydrophobicContact CG-CD1 4.2Å; K495-L511 PolarHBondContact O-N 2.91Å; K495-E512 HydrophobicContact CB-CB 4.12Å; K495-E512 PolarHBondContact N-O 2.9Å; K495-E512 PolarHBondContact O-N 3.28Å; K495-L548 PolarHBondContact NZ-O 3.13Å; K495-D566 IonicContact NZ-OD1 2.66Å; K495-D566 PolarHBondContact NZ-OD1 2.8Å; K495-D566 IonicContact NZ-OD2 3.96Å; K495-D566 PolarHBondContact NZ-OD2 3.14Å
496	V	97.1	Very high	88.1	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	139.3	-168.2	-170.7	0	0	0	0	110.6	F457 M484 L486 L494 V509 I510	F457-V496 HydrophobicContact CD2-CG1 3.65Å; F457-V496 HydrophobicContact CE1-CG2 4.38Å; F457-V496 HydrophobicContact CE2-CG1 3.73Å; F457-V496 HydrophobicContact CE2-CG2 4.15Å; F457-V496 HydrophobicContact CG-CG1 4.22Å; F457-V496 HydrophobicContact CZ-CG1 4.36Å; F457-V496 HydrophobicContact CZ-CG2 3.98Å; M484-V496 HydrophobicContact CB-CB 4.45Å; M484-V496 HydrophobicContact CE-CB 4.25Å; M484-V496 HydrophobicContact CE-CG1 3.95Å; M484-V496 PolarHBondContact N-O 3.14Å; M484-V496 PolarHBondContact O-N 2.95Å; L486-V496 HydrophobicContact CD1-CB 4.47Å; L486-V496 HydrophobicContact CD1-CG2 3.84Å; L494-V496 HydrophobicContact CB-CG2 3.86Å; V496-V509 WeakPolarHBondContact CA-O 3.32Å; V496-V509 WeakPolarHBondContact CG1-O 3.29Å; V496-I510 HydrophobicContact CG1-CG1 4.41Å; V496-I510 HydrophobicContact CG2-CG1 4.01Å; V496-I510 HydrophobicContact CG2-CG2 4.39Å
497	V	94.9	Very high	87.5	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	140	168.6	63.9	0	0	0	0	109.5	Y481 I499 V509 L511 P567	Y481-V497 HydrophobicContact CD1-CG2 3.76Å; Y481-V497 HydrophobicContact CG-CG2 4.28Å; V497-I499 HydrophobicContact CG1-CD1 3.98Å; V497-I499 HydrophobicContact CG1-CG1 4.05Å; V497-I499 HydrophobicContact CG2-CG1 4.06Å; V497-V509 HydrophobicContact CG1-CB 3.92Å; V497-V509 HydrophobicContact CG1-CG1 4.47Å; V497-V509 PolarHBondContact N-O 2.99Å; V497-V509 PolarHBondContact O-N 3.33Å; V497-L511 HydrophobicContact CB-CD1 4.42Å; V497-L511 HydrophobicContact CG1-CD1 4.13Å; V497-L511 HydrophobicContact CG1-CD2 4.08Å; V497-L511 HydrophobicContact CG1-CG 4.18Å; V497-P567 HydrophobicContact CG2-CG 4.32Å
498	S	90	Very high	87.1	Confident	28 Å²	28	49.6 Å²	49.6	20%	0.196	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	113.8	177.3	-157.8	0	0	0	0	108	V456 T506	V456-S498 PolarHBondContact O-OG 3.5Å; S498-T506 WeakPolarHBondContact OG-CG2 3.49Å
499	I	87.6	Confident	86.8	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	119.1	-167.8	-60.2	176.8	0	0	0	109.6	Y481 V497 Q501 T506 E507 V509 I592	Y481-I499 HydrophobicContact CE1-CG1 4.2Å; Y481-I499 HydrophobicContact CE1-CG2 4.48Å; V497-I499 HydrophobicContact CG1-CD1 3.98Å; V497-I499 HydrophobicContact CG1-CG1 4.05Å; V497-I499 HydrophobicContact CG2-CG1 4.06Å; I499-Q501 PolarHBondContact O-N 3.45Å; I499-T506 CarbonylContact O-C 3.51Å; I499-T506 WeakPolarHBondContact O-CA 3.35Å; I499-E507 HydrophobicContact CB-CB 4.39Å; I499-E507 PolarHBondContact N-O 2.98Å; I499-E507 PolarHBondContact O-N 2.96Å; I499-V509 HydrophobicContact CD1-CB 4.45Å; I499-V509 HydrophobicContact CD1-CG2 3.82Å; I499-V509 HydrophobicContact CG1-CG2 4.49Å; I499-I592 HydrophobicContact CD1-CG2 3.65Å; I499-I592 WeakPolarHBondContact CD1-O 3.38Å; I499-I592 HydrophobicContact CG1-CG2 4.22Å
500	T	81.8	Confident	86.8	Confident	88 Å²	88	47.6 Å²	47.6	54%	0.54	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	112.6	175.6	-55.5	0	0	0	0	110
501	Q	76.6	Confident	86.8	Confident	78 Å²	78	46.4 Å²	46.4	36%	0.364	22%	0.224	S	C	.	.			trans	-83.6	166.8	173.8	-58.3	-171.3	-2.6	0	0	111.9	I499 K503 W504 S505 E507	I499-Q501 PolarHBondContact O-N 3.45Å; Q501-K503 PolarHBondContact O-N 3.15Å; Q501-W504 PolarHBondContact O-N 2.86Å; Q501-S505 WeakPolarHBondContact CB-O 3.43Å; Q501-S505 PolarHBondContact N-O 2.8Å; Q501-E507 HydrophobicContact CG-CB 4.46Å; Q501-E507 PolarHBondContact NE2-OE2 2.88Å
502	E	69.3	Low	86.9	Confident	154 Å²	154	46.5 Å²	46.5	72%	0.72	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-16.1	-170.4	-58.3	-176.1	169	0	0	115.1	W504 K593	E502-W504 VanDerWaalsContact C-N 3.29Å; E502-K593 IonicContact OE1-NZ 3.87Å; E502-K593 PolarHBondContact OE1-NZ 3.42Å
503	K	66.9	Low	86.8	Confident	186 Å²	186	47 Å²	47	81%	0.809	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.3	13.5	175.1	-61.7	-178.3	-178.5	175.4	0	113	Q501 S505	Q501-K503 PolarHBondContact O-N 3.15Å; K503-S505 PolarHBondContact O-N 2.86Å
504	W	65.9	Low	86.8	Confident	225 Å²	225	47.1 Å²	47.1	85%	0.852	23%	0.227	S	C	*	.	S	Bend	trans	60.3	15.1	-169.6	-51.7	89.6	0	0	0	114	Q501 E502	Q501-W504 PolarHBondContact O-N 2.86Å; E502-W504 VanDerWaalsContact C-N 3.29Å
505	S	72.8	Confident	86.7	Confident	51 Å²	51	49.2 Å²	49.2	36%	0.357	24%	0.237	S	C	.	.			trans	-84.3	119.7	172.5	52.5	0	0	0	0	110.3	Q501 K503	Q501-S505 WeakPolarHBondContact CB-O 3.43Å; Q501-S505 PolarHBondContact N-O 2.8Å; K503-S505 PolarHBondContact O-N 2.86Å
506	T	79.4	Confident	86.5	Confident	63 Å²	63	49.2 Å²	49.2	39%	0.387	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	131.9	175.9	-47.9	0	0	0	0	111.1	S498 I499	S498-T506 WeakPolarHBondContact OG-CG2 3.49Å; I499-T506 CarbonylContact O-C 3.51Å; I499-T506 WeakPolarHBondContact O-CA 3.35Å
507	E	86.9	Confident	86.2	Confident	49 Å²	49	49.6 Å²	49.6	23%	0.229	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	125.1	175.1	-171.9	-172	170	0	0	110.7	I499 Q501 V509 R565	I499-E507 HydrophobicContact CB-CB 4.39Å; I499-E507 PolarHBondContact N-O 2.98Å; I499-E507 PolarHBondContact O-N 2.96Å; Q501-E507 HydrophobicContact CG-CB 4.46Å; Q501-E507 PolarHBondContact NE2-OE2 2.88Å; E507-V509 HydrophobicContact CG-CG2 3.91Å; E507-R565 IonicContact OE1-CZ 3.74Å; E507-R565 IonicContact OE1-NH1 3.25Å; E507-R565 PolarHBondContact OE1-NH1 3.39Å; E507-R565 IonicContact OE1-NH2 2.66Å; E507-R565 PolarHBondContact OE1-NH2 3.27Å; E507-R565 IonicContact OE2-CZ 3.86Å; E507-R565 IonicContact OE2-NH1 3.37Å; E507-R565 IonicContact OE2-NH2 2.7Å; E507-R565 PolarHBondContact OE2-NH2 2.79Å
508	E	89.4	Confident	86	Confident	46 Å²	46	58.5 Å²	58.5	22%	0.215	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	107.8	174	-63.8	-174.2	-162.6	0	0	111.2	S60 F457 T458 R459	S60-E508 WeakPolarHBondContact CB-O 3.47Å; S60-E508 PolarHBondContact OG-O 2.81Å; F457-E508 WeakPolarHBondContact CA-OE1 3.44Å; F457-E508 HydrophobicContact CD2-CB 4.16Å; F457-E508 HydrophobicContact CD2-CG 4.1Å; F457-E508 WeakPolarHBondContact CD2-OE2 3.49Å; T458-E508 VanDerWaalsContact N-CD 3.26Å; T458-E508 PolarHBondContact N-OE1 2.91Å; T458-E508 PolarHBondContact N-OE2 2.98Å; T458-E508 VanDerWaalsContact N-OE2 3.1Å; T458-E508 PolarHBondContact OG1-OE1 3.37Å; R459-E508 IonicContact NH2-OE2 2.76Å
509	V	90.9	Very high	86	Confident	5 Å²	5	60.9 Å²	60.9	3%	0.03	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	112.3	178.5	-172.5	0	0	0	0	110.6	V496 V497 I499 E507 L511	V496-V509 WeakPolarHBondContact CA-O 3.32Å; V496-V509 WeakPolarHBondContact CG1-O 3.29Å; V497-V509 HydrophobicContact CG1-CB 3.92Å; V497-V509 HydrophobicContact CG1-CG1 4.47Å; V497-V509 PolarHBondContact N-O 2.99Å; V497-V509 PolarHBondContact O-N 3.33Å; I499-V509 HydrophobicContact CD1-CB 4.45Å; I499-V509 HydrophobicContact CD1-CG2 3.82Å; I499-V509 HydrophobicContact CG1-CG2 4.49Å; E507-V509 HydrophobicContact CG-CG2 3.91Å; V509-L511 HydrophobicContact CG1-CD2 4.01Å
510	I	94.3	Very high	86.1	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	118.2	167.5	-53.6	-175.4	0	0	0	108.9	P62 R63 F457 R459 L494 V496	P62-I510 HydrophobicContact CB-CB 4.44Å; P62-I510 HydrophobicContact CB-CG2 3.75Å; P62-I510 HydrophobicContact CG-CD1 4.32Å; P62-I510 HydrophobicContact CG-CG2 4Å; R63-I510 WeakPolarHBondContact CB-O 3.32Å; R63-I510 PolarHBondContact N-O 3.43Å; F457-I510 HydrophobicContact CE2-CD1 3.94Å; F457-I510 HydrophobicContact CE2-CG1 3.82Å; F457-I510 HydrophobicContact CZ-CD1 3.79Å; F457-I510 HydrophobicContact CZ-CG1 4.08Å; R459-I510 VanDerWaalsContact NH1-CD1 3.29Å; L494-I510 HydrophobicContact CD1-CD1 4.36Å; V496-I510 HydrophobicContact CG1-CG1 4.41Å; V496-I510 HydrophobicContact CG2-CG1 4.01Å; V496-I510 HydrophobicContact CG2-CG2 4.39Å
511	L	94.6	Very high	86.6	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	-50.9	179.9	-56	173.6	0	0	0	110.9	R63 V64 K495 V497 V509 A564 R565 D566	R63-L511 WeakPolarHBondContact CB-O 3.27Å; V64-L511 PolarHBondContact N-O 3.23Å; V64-L511 VanDerWaalsContact N-O 3.14Å; K495-L511 HydrophobicContact CD-CB 4.39Å; K495-L511 HydrophobicContact CD-CD1 4.29Å; K495-L511 HydrophobicContact CG-CB 4.33Å; K495-L511 HydrophobicContact CG-CD1 4.2Å; K495-L511 PolarHBondContact O-N 2.91Å; V497-L511 HydrophobicContact CB-CD1 4.42Å; V497-L511 HydrophobicContact CG1-CD1 4.13Å; V497-L511 HydrophobicContact CG1-CD2 4.08Å; V497-L511 HydrophobicContact CG1-CG 4.18Å; V509-L511 HydrophobicContact CG1-CD2 4.01Å; L511-A564 VanDerWaalsContact CD2-O 3.28Å; L511-A564 WeakPolarHBondContact CD2-O 3.46Å; L511-R565 HydrophobicContact CD2-CB 4.44Å; L511-D566 HydrophobicContact CD1-CB 4.15Å; L511-D566 HydrophobicContact CD2-CB 4.48Å
512	E	95.4	Very high	87.4	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	145.1	-178	-58	-175.6	111.1	0	0	111.3	V64 L494 K495 L514 R550 Y554	V64-E512 CarbonylContact O-C 3.57Å; V64-E512 VanDerWaalsContact O-CA 3.31Å; V64-E512 WeakPolarHBondContact O-CA 3.43Å; L494-E512 CarbonylContact C-O 3.58Å; L494-E512 WeakPolarHBondContact CA-O 3.26Å; K495-E512 HydrophobicContact CB-CB 4.12Å; K495-E512 PolarHBondContact N-O 2.9Å; K495-E512 PolarHBondContact O-N 3.28Å; E512-L514 HydrophobicContact CB-CD2 3.71Å; E512-L514 HydrophobicContact CB-CG 4.18Å; E512-L514 HydrophobicContact CG-CD2 4.42Å; E512-R550 WeakPolarHBondContact OE1-CD 3.42Å; E512-R550 VanDerWaalsContact OE1-CG 3.28Å; E512-R550 WeakPolarHBondContact OE1-CG 3.31Å; E512-R550 IonicContact OE1-CZ 2.76Å; E512-R550 IonicContact OE1-NE 3.79Å; E512-R550 IonicContact OE1-NH1 3.47Å; E512-R550 PolarHBondContact OE1-NH1 3.23Å; E512-R550 WeakPolarHBondContact OE2-CD 3.02Å; E512-Y554 HydrophobicContact CG-CE1 4.32Å
513	E	95.8	Very high	88.7	Confident	12 Å²	12	52.2 Å²	52.2	6%	0.056	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	120.3	157.4	177	-179.4	177	0	0	108.8	P62 V64 K65 L66 S492 L494	P62-E513 HydrophobicContact CB-CB 3.79Å; P62-E513 HydrophobicContact CG-CB 3.85Å; V64-E513 PolarHBondContact O-N 3Å; K65-E513 CarbonylContact C-O 3.55Å; K65-E513 WeakPolarHBondContact CA-O 3.13Å; K65-E513 HydrophobicContact CB-CB 4.45Å; K65-E513 HydrophobicContact CD-CG 4.48Å; K65-E513 VanDerWaalsContact CD-OE2 3.3Å; K65-E513 WeakPolarHBondContact CD-OE2 3.46Å; K65-E513 WeakPolarHBondContact CE-OE1 3.35Å; K65-E513 VanDerWaalsContact CE-OE2 3.23Å; K65-E513 WeakPolarHBondContact CE-OE2 3.17Å; K65-E513 HydrophobicContact CG-CB 4.17Å; K65-E513 HydrophobicContact CG-CG 4.27Å; K65-E513 IonicContact NZ-OE1 2.78Å; K65-E513 PolarHBondContact NZ-OE1 3.49Å; K65-E513 IonicContact NZ-OE2 3.85Å; K65-E513 PolarHBondContact NZ-OE2 2.83Å; L66-E513 PolarHBondContact N-O 3.38Å; S492-E513 PolarHBondContact OG-OE1 3.02Å; L494-E513 HydrophobicContact CD2-CB 3.84Å; L494-E513 HydrophobicContact CD2-CG 3.76Å
514	L	96.5	Very high	90	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	109	-171.3	-50.2	178.1	0	0	0	109.4	L66 L71 S492 V493 E512 V516 V546	L66-L514 HydrophobicContact CB-CD2 4.34Å; L66-L514 HydrophobicContact CD1-CD2 3.89Å; L71-L514 HydrophobicContact CD1-CB 4.11Å; L71-L514 HydrophobicContact CD2-CD2 3.93Å; S492-L514 CarbonylContact C-O 3.54Å; S492-L514 WeakPolarHBondContact CA-O 3.42Å; V493-L514 HydrophobicContact CB-CB 4.39Å; V493-L514 PolarHBondContact N-O 2.85Å; V493-L514 PolarHBondContact O-N 3.17Å; E512-L514 HydrophobicContact CB-CD2 3.71Å; E512-L514 HydrophobicContact CB-CG 4.18Å; E512-L514 HydrophobicContact CG-CD2 4.42Å; L514-V516 PolarHBondContact O-N 2.97Å; L514-V546 HydrophobicContact CD1-CG1 4.03Å
515	Q	96.1	Very high	91.3	Very high	44 Å²	44	35.4 Å²	35.4	21%	0.206	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	92	171.2	-174.7	62.2	36.1	0	0	109	L66 N68 F517	L66-Q515 PolarHBondContact O-N 2.8Å; N68-Q515 WeakPolarHBondContact CA-O 3.04Å; N68-Q515 WeakPolarHBondContact CB-O 3.45Å; N68-Q515 PolarHBondContact N-O 3.07Å; N68-Q515 VanDerWaalsContact N-O 3.12Å; Q515-F517 PolarHBondContact NE2-O 2.67Å
516	V	93.9	Very high	92.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.181	C	C	.	.			trans	-65.1	-48.9	-168.8	179.9	0	0	0	0	111.5	N68 I77 G491 V493 L514 V537 A544 V546	N68-V516 PolarHBondContact ND2-O 2.89Å; I77-V516 HydrophobicContact CD1-CB 4.47Å; I77-V516 HydrophobicContact CD1-CG1 3.75Å; I77-V516 VanDerWaalsContact CD1-O 3.26Å; I77-V516 WeakPolarHBondContact CD1-O 3.39Å; G491-V516 PolarHBondContact O-N 3.09Å; V493-V516 HydrophobicContact CB-CG2 4.2Å; V493-V516 HydrophobicContact CG2-CG2 3.67Å; L514-V516 PolarHBondContact O-N 2.97Å; V516-V537 HydrophobicContact CG1-CB 4.13Å; V516-V537 HydrophobicContact CG1-CG1 4.22Å; V516-V537 HydrophobicContact CG1-CG2 4.42Å; V516-V537 HydrophobicContact CG2-CG1 4.4Å; V516-V537 HydrophobicContact CG2-CG2 4.47Å; V516-A544 HydrophobicContact CG1-CB 3.3Å; V516-V546 HydrophobicContact CG1-CG2 4.35Å
517	F	91.6	Very high	93.2	Very high	9 Å²	9	34.1 Å²	34.1	4%	0.039	18%	0.179	C	C	.	.	S	Bend	trans	-103.1	146.9	-178	-62.8	-81	0	0	0	112	L79 Q515 V519 V537 S539 E541 A544	L79-F517 HydrophobicContact CD2-CD1 4.4Å; L79-F517 HydrophobicContact CD2-CE1 4.33Å; Q515-F517 PolarHBondContact NE2-O 2.67Å; F517-V519 VanDerWaalsContact C-N 3.26Å; F517-V519 WeakPolarHBondContact CB-O 3.34Å; F517-V519 PolarHBondContact O-N 2.76Å; F517-V537 HydrophobicContact CE2-CG1 4.22Å; F517-V537 WeakPolarHBondContact CZ-O 3.44Å; F517-S539 VanDerWaalsContact CD2-OG 3.3Å; F517-S539 WeakPolarHBondContact CD2-OG 3.31Å; F517-S539 WeakPolarHBondContact CE1-OG 3.29Å; F517-S539 VanDerWaalsContact CE2-CB 3.43Å; F517-S539 WeakPolarHBondContact CE2-OG 3.49Å; F517-S539 WeakPolarHBondContact CZ-OG 3.21Å; F517-E541 HydrophobicContact CB-CG 4.08Å; F517-E541 HydrophobicContact CD1-CB 3.75Å; F517-E541 HydrophobicContact CD1-CG 4.12Å; F517-E541 HydrophobicContact CE1-CB 4.23Å; F517-E541 HydrophobicContact CG-CB 4.29Å; F517-E541 HydrophobicContact CG-CG 4.15Å; F517-A544 HydrophobicContact CE1-CB 4.27Å; F517-A544 HydrophobicContact CZ-CB 3.98Å
518	K	90	Very high	93.7	Very high	187 Å²	187	32.8 Å²	32.8	81%	0.813	17%	0.173	S	C	*	.	S	Bend	trans	-62.2	-33.8	177.9	-177.7	-173.9	171.3	-167.3	0	112.4
519	V	89.6	Confident	93.9	Very high	78 Å²	78	30.6 Å²	30.6	47%	0.473	16%	0.163	S	C	.	.	S	Bend	trans	-97	136.9	173	-179.1	0	0	0	0	107.8	F517 S521 E541	F517-V519 VanDerWaalsContact C-N 3.26Å; F517-V519 WeakPolarHBondContact CB-O 3.34Å; F517-V519 PolarHBondContact O-N 2.76Å; V519-S521 PolarHBondContact O-N 3.13Å; V519-S521 VanDerWaalsContact O-N 3.15Å; V519-E541 HydrophobicContact CB-CG 4.42Å
520	S	91.3	Very high	94.1	Very high	85 Å²	85	32.8 Å²	32.8	59%	0.594	18%	0.178	S	C	*	.			trans	-67.1	108.9	171.1	-177.4	0	0	0	0	108.7	A490	A490-S520 WeakPolarHBondContact O-CA 3.48Å; A490-S520 PolarHBondContact O-OG 2.92Å
521	S	91.3	Very high	93.9	Very high	6 Å²	6	40.8 Å²	40.8	4%	0.042	21%	0.213	C	C	.	.			trans	-149.3	124.6	-168.5	-160.5	0	0	0	0	108.3	G491 V519 E541	G491-S521 WeakPolarHBondContact CA-O 3.34Å; V519-S521 PolarHBondContact O-N 3.13Å; V519-S521 VanDerWaalsContact O-N 3.15Å; S521-E541 WeakPolarHBondContact CB-OE1 3.4Å; S521-E541 PolarHBondContact OG-OE1 2.96Å
522	P	94.5	Very high	93.8	Very high	45 Å²	45	43 Å²	43	29%	0.292	22%	0.223	S	C	.	.			trans	-53	141.3	-172.9	-27.4	31.2	0	0	0	113.6	D489 L524 S539	D489-P522 VanDerWaalsContact O-CA 3.31Å; D489-P522 WeakPolarHBondContact O-CA 3.4Å; D489-P522 VanDerWaalsContact O-CG 3.31Å; D489-P522 WeakPolarHBondContact O-CG 3.44Å; P522-L524 HydrophobicContact CB-CD2 4.27Å; P522-L524 PolarHBondContact O-N 3.46Å; P522-S539 WeakPolarHBondContact O-CB 3.36Å
523	I	95.7	Very high	93.7	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.01	23%	0.23	C	C	.	.			trans	-73.1	125.2	169	-68.1	172.3	0	0	0	108.4	T467 H468 T488 S492 V493 T525 V537 G538	T467-I523 PolarHBondContact OG1-O 2.63Å; H468-I523 PolarHBondContact CE1-O 3.34Å; H468-I523 PolarHBondContact ND1-O 3.11Å; H468-I523 VanDerWaalsContact ND1-O 3.15Å; T488-I523 PolarHBondContact O-N 2.94Å; T488-I523 VanDerWaalsContact O-N 3.1Å; S492-I523 VanDerWaalsContact O-CD1 3.27Å; S492-I523 WeakPolarHBondContact O-CD1 3.34Å; V493-I523 HydrophobicContact CG2-CD1 3.48Å; V493-I523 VanDerWaalsContact CG2-CD1 3.48Å; I523-T525 WeakPolarHBondContact CG2-O 3.4Å; I523-V537 HydrophobicContact CB-CG1 4.45Å; I523-V537 HydrophobicContact CD1-CG1 3.62Å; I523-V537 HydrophobicContact CG1-CG1 3.72Å; I523-V537 HydrophobicContact CG2-CG1 3.91Å; I523-G538 WeakPolarHBondContact CA-O 3.4Å
524	L	93.4	Very high	93.7	Very high	40 Å²	40	46 Å²	46	21%	0.209	24%	0.237	C	C	.	.			trans	-111.5	-18.5	-172.7	-60.4	-176.4	0	0	0	113.5	H468 P522 G538 K540	H468-L524 VanDerWaalsContact CE1-C 3.42Å; H468-L524 PolarHBondContact CE1-O 3.26Å; H468-L524 PolarHBondContact NE2-O 3.21Å; P522-L524 HydrophobicContact CB-CD2 4.27Å; P522-L524 PolarHBondContact O-N 3.46Å; L524-G538 PolarHBondContact N-O 3.41Å; L524-K540 HydrophobicContact CD1-CG 3.84Å
525	T	93.9	Very high	93.7	Very high	19 Å²	19	46 Å²	46	12%	0.117	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	149.6	170.7	55.7	0	0	0	0	109.6	L92 I523 G538	L92-T525 WeakPolarHBondContact CD1-OG1 3.17Å; I523-T525 WeakPolarHBondContact CG2-O 3.4Å; T525-G538 PolarHBondContact O-N 3.11Å; T525-G538 WeakPolarHBondContact OG1-CA 3.47Å
526	L	96.1	Very high	93.7	Very high	14 Å²	14	43.9 Å²	43.9	7%	0.073	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	123.4	176.4	-165.8	64	0	0	0	108.9	H468 V470 F485 L535 Y536 V537	H468-L526 HydrophobicContact CB-CB 3.81Å; H468-L526 HydrophobicContact CB-CD2 4.11Å; V470-L526 HydrophobicContact CG1-CB 4.31Å; V470-L526 HydrophobicContact CG1-CD2 4.37Å; V470-L526 HydrophobicContact CG1-CG 4.06Å; V470-L526 WeakPolarHBondContact CG1-O 3.22Å; V470-L526 HydrophobicContact CG2-CD2 3.95Å; V470-L526 HydrophobicContact CG2-CG 3.92Å; F485-L526 WeakPolarHBondContact O-CD2 3.34Å; L526-L535 HydrophobicContact CD1-CD1 3.81Å; L526-L535 HydrophobicContact CD1-CD2 4.07Å; L526-L535 HydrophobicContact CD1-CG 3.95Å; L526-L535 HydrophobicContact CG-CD1 4.12Å; L526-Y536 WeakPolarHBondContact CA-O 3Å; L526-V537 HydrophobicContact CD1-CB 4.31Å; L526-V537 HydrophobicContact CD1-CG1 4.19Å; L526-V537 HydrophobicContact CD1-CG2 3.81Å
527	E	96	Very high	93.9	Very high	72 Å²	72	43.9 Å²	43.9	34%	0.336	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	146.5	-174.4	-86.6	-67.9	-177.8	0	0	110.8	L92 Y536	L92-E527 HydrophobicContact CB-CG 3.95Å; L92-E527 HydrophobicContact CD1-CB 4.03Å; L92-E527 HydrophobicContact CD1-CG 3.96Å; E527-Y536 PolarHBondContact N-O 3.39Å; E527-Y536 PolarHBondContact O-N 3.02Å
528	I	96.6	Very high	94	Very high	22 Å²	22	43.5 Å²	43.5	11%	0.113	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	135.6	-173.3	-168.5	163.6	0	0	0	113.3	F346 V470 D472 F485 L535 L548	F346-I528 HydrophobicContact CE2-CG2 4.15Å; F346-I528 HydrophobicContact CZ-CG2 4.2Å; V470-I528 HydrophobicContact CB-CB 4.15Å; V470-I528 HydrophobicContact CB-CG2 3.91Å; V470-I528 HydrophobicContact CG1-CG2 4.34Å; V470-I528 HydrophobicContact CG2-CB 3.92Å; V470-I528 HydrophobicContact CG2-CD1 4.2Å; V470-I528 HydrophobicContact CG2-CG2 4.23Å; D472-I528 HydrophobicContact CB-CD1 3.87Å; F485-I528 HydrophobicContact CD2-CD1 4.18Å; F485-I528 HydrophobicContact CE2-CD1 4.22Å; I528-L535 HydrophobicContact CB-CD1 4.41Å; I528-L548 HydrophobicContact CD1-CD1 4.03Å; I528-L548 HydrophobicContact CD1-CD2 3.81Å; I528-L548 HydrophobicContact CG1-CD1 4.17Å; I528-L548 HydrophobicContact CG1-CD2 4.13Å
529	S	95.4	Very high	94.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	93.4	166.6	179.8	0	0	0	0	109.5	E96 K531 K532 Q533 Q534	E96-S529 WeakPolarHBondContact OE1-CB 3.5Å; E96-S529 PolarHBondContact OE1-OG 2.99Å; S529-K531 PolarHBondContact O-N 2.89Å; S529-K532 PolarHBondContact O-N 3.32Å; S529-K532 VanDerWaalsContact OG-CB 3.31Å; S529-K532 WeakPolarHBondContact OG-CB 3.02Å; S529-K532 PolarHBondContact OG-N 2.97Å; S529-Q533 VanDerWaalsContact O-CA 3.3Å; S529-Q533 WeakPolarHBondContact O-CA 3.5Å; S529-Q533 PolarHBondContact O-N 3.46Å; S529-Q534 PolarHBondContact N-O 3.06Å; S529-Q534 PolarHBondContact O-N 3.21Å; S529-Q534 VanDerWaalsContact O-N 3.14Å
530	S	93.3	Very high	94.2	Very high	51 Å²	51	34 Å²	34	36%	0.357	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-24.2	170.6	-52.1	0	0	0	0	111.9	D472 Q533	D472-S530 VanDerWaalsContact CG-OG 3.29Å; D472-S530 VanDerWaalsContact OD1-CB 3.26Å; D472-S530 WeakPolarHBondContact OD1-CB 3.43Å; D472-S530 PolarHBondContact OD1-OG 3.42Å; S530-Q533 PolarHBondContact O-NE2 3.29Å
531	K	91.5	Very high	94.2	Very high	167 Å²	167	32.9 Å²	32.9	73%	0.726	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-44.9	176.6	-59.8	-176.4	-167.5	135.2	0	112.5	E96 S529	E96-K531 VanDerWaalsContact OE2-CD 3.23Å; E96-K531 WeakPolarHBondContact OE2-CD 3.08Å; E96-K531 VanDerWaalsContact OE2-CE 3.24Å; E96-K531 WeakPolarHBondContact OE2-CE 3.23Å; E96-K531 IonicContact OE2-NZ 2.65Å; E96-K531 PolarHBondContact OE2-NZ 3.38Å; S529-K531 PolarHBondContact O-N 2.89Å
532	K	91.3	Very high	94.2	Very high	48 Å²	48	32.7 Å²	32.7	21%	0.209	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-10.2	176.6	-64.3	171.2	176.2	-91.5	0	113.1	P114 D115 S529 Q534	P114-K532 HydrophobicContact CB-CD 4.14Å; P114-K532 HydrophobicContact CG-CD 4.48Å; D115-K532 IonicContact OD1-NZ 3.22Å; D115-K532 PolarHBondContact OD1-NZ 3.41Å; D115-K532 IonicContact OD2-NZ 3.95Å; D115-K532 PolarHBondContact OD2-NZ 3.49Å; S529-K532 PolarHBondContact O-N 3.32Å; S529-K532 VanDerWaalsContact OG-CB 3.31Å; S529-K532 WeakPolarHBondContact OG-CB 3.02Å; S529-K532 PolarHBondContact OG-N 2.97Å; K532-Q534 HydrophobicContact CB-CG 4.09Å
533	Q	93.4	Very high	94.2	Very high	33 Å²	33	30.5 Å²	30.5	15%	0.154	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	43.7	-174.1	-70	-74.5	-58.2	0	0	113.2	S529 S530 L548	S529-Q533 VanDerWaalsContact O-CA 3.3Å; S529-Q533 WeakPolarHBondContact O-CA 3.5Å; S529-Q533 PolarHBondContact O-N 3.46Å; S530-Q533 PolarHBondContact O-NE2 3.29Å; Q533-L548 HydrophobicContact CB-CD1 4.46Å; Q533-L548 PolarHBondContact O-N 2.86Å
534	Q	95.5	Very high	94.1	Very high	43 Å²	43	30.4 Å²	30.4	20%	0.201	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	144.8	-178.7	-58.1	-58.8	-39.1	0	0	111.6	S529 K532 Y536 Q545 V546	S529-Q534 PolarHBondContact N-O 3.06Å; S529-Q534 PolarHBondContact O-N 3.21Å; S529-Q534 VanDerWaalsContact O-N 3.14Å; K532-Q534 HydrophobicContact CB-CG 4.09Å; Q534-Y536 HydrophobicContact CB-CE2 4.15Å; Q534-Q545 HydrophobicContact CB-CG 4.32Å; Q534-Q545 HydrophobicContact CG-CG 4.26Å; Q534-Q545 VanDerWaalsContact OE1-CG 3.32Å; Q534-V546 PolarHBondContact OE1-O 2.77Å
535	L	97.4	Very high	94.2	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	134.5	168.5	-175.1	73.3	0	0	0	108.7	V470 F485 V493 L526 I528 V537 Q545 V546 L548	V470-L535 HydrophobicContact CG2-CD1 3.43Å; V470-L535 VanDerWaalsContact CG2-CD1 3.43Å; F485-L535 HydrophobicContact CB-CD1 4.13Å; F485-L535 HydrophobicContact CB-CD2 4.21Å; F485-L535 HydrophobicContact CD1-CD2 3.94Å; F485-L535 HydrophobicContact CG-CD1 4.31Å; F485-L535 HydrophobicContact CG-CD2 4.28Å; V493-L535 HydrophobicContact CG1-CD2 4.04Å; L526-L535 HydrophobicContact CD1-CD1 3.81Å; L526-L535 HydrophobicContact CD1-CD2 4.07Å; L526-L535 HydrophobicContact CD1-CG 3.95Å; L526-L535 HydrophobicContact CG-CD1 4.12Å; I528-L535 HydrophobicContact CB-CD1 4.41Å; L535-V537 HydrophobicContact CD2-CG2 3.89Å; L535-V537 HydrophobicContact CG-CG2 3.96Å; L535-Q545 CarbonylContact O-C 3.52Å; L535-Q545 WeakPolarHBondContact O-CA 3.23Å; L535-V546 HydrophobicContact CB-CB 4.3Å; L535-V546 PolarHBondContact N-O 2.64Å; L535-V546 PolarHBondContact O-N 2.94Å; L535-L548 HydrophobicContact CB-CD2 3.78Å
536	Y	97	Very high	94.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	118.2	177.4	-61.7	-75.3	0	0	0	108.9	L94 L101 P114 L526 E527 Q534 A544 Q545	L94-Y536 HydrophobicContact CD1-CE2 4.22Å; L94-Y536 HydrophobicContact CD2-CD2 4.46Å; L94-Y536 HydrophobicContact CD2-CE2 4.16Å; L101-Y536 HydrophobicContact CD2-CD1 3.68Å; L101-Y536 HydrophobicContact CD2-CE1 3.85Å; L101-Y536 HydrophobicContact CD2-CG 4.19Å; P114-Y536 WeakPolarHBondContact CB-OH 3.33Å; P114-Y536 PolarHBondContact O-OH 3.42Å; P114-Y536 VanDerWaalsContact O-OH 3.07Å; L526-Y536 WeakPolarHBondContact CA-O 3Å; E527-Y536 PolarHBondContact N-O 3.39Å; E527-Y536 PolarHBondContact O-N 3.02Å; Q534-Y536 HydrophobicContact CB-CE2 4.15Å; Y536-A544 CarbonylContact C-O 3.55Å; Y536-A544 WeakPolarHBondContact CA-O 3.21Å; Y536-Q545 HydrophobicContact CD1-CB 4.22Å; Y536-Q545 HydrophobicContact CE1-CB 4.11Å; Y536-Q545 HydrophobicContact CE1-CG 4.06Å; Y536-Q545 PolarHBondContact OH-NE2 3.3Å
537	V	96.9	Very high	94.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	115.1	-172.4	-168.2	0	0	0	0	109.3	V493 V516 F517 I523 L526 L535 A544 V546	V493-V537 HydrophobicContact CG2-CG1 4.16Å; V493-V537 HydrophobicContact CG2-CG2 4.15Å; V516-V537 HydrophobicContact CG1-CB 4.13Å; V516-V537 HydrophobicContact CG1-CG1 4.22Å; V516-V537 HydrophobicContact CG1-CG2 4.42Å; V516-V537 HydrophobicContact CG2-CG1 4.4Å; V516-V537 HydrophobicContact CG2-CG2 4.47Å; F517-V537 HydrophobicContact CE2-CG1 4.22Å; F517-V537 WeakPolarHBondContact CZ-O 3.44Å; I523-V537 HydrophobicContact CB-CG1 4.45Å; I523-V537 HydrophobicContact CD1-CG1 3.62Å; I523-V537 HydrophobicContact CG1-CG1 3.72Å; I523-V537 HydrophobicContact CG2-CG1 3.91Å; L526-V537 HydrophobicContact CD1-CB 4.31Å; L526-V537 HydrophobicContact CD1-CG1 4.19Å; L526-V537 HydrophobicContact CD1-CG2 3.81Å; L535-V537 HydrophobicContact CD2-CG2 3.89Å; L535-V537 HydrophobicContact CG-CG2 3.96Å; V537-A544 HydrophobicContact CB-CB 4.33Å; V537-A544 PolarHBondContact N-O 3.2Å; V537-A544 PolarHBondContact O-N 2.79Å; V537-V546 HydrophobicContact CG2-CG2 4.12Å
538	G	94.8	Very high	94.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	141.6	177	0	0	0	0	0	112.9	I523 L524 T525	I523-G538 WeakPolarHBondContact CA-O 3.4Å; L524-G538 PolarHBondContact N-O 3.41Å; T525-G538 PolarHBondContact O-N 3.11Å; T525-G538 WeakPolarHBondContact OG1-CA 3.47Å
539	S	93.3	Very high	94.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.126	C	C	.	.			trans	-144.1	-172.2	170.5	71.7	0	0	0	0	110.8	S89 F517 P522 E541 G542	S89-S539 WeakPolarHBondContact CB-O 3.24Å; S89-S539 PolarHBondContact N-O 3.21Å; F517-S539 VanDerWaalsContact CD2-OG 3.3Å; F517-S539 WeakPolarHBondContact CD2-OG 3.31Å; F517-S539 WeakPolarHBondContact CE1-OG 3.29Å; F517-S539 VanDerWaalsContact CE2-CB 3.43Å; F517-S539 WeakPolarHBondContact CE2-OG 3.49Å; F517-S539 WeakPolarHBondContact CZ-OG 3.21Å; P522-S539 WeakPolarHBondContact O-CB 3.36Å; S539-E541 VanDerWaalsContact C-N 3.27Å; S539-E541 PolarHBondContact O-N 3.26Å; S539-E541 PolarHBondContact OG-N 3.46Å; S539-G542 PolarHBondContact N-O 2.96Å
540	K	89.8	Confident	94.1	Very high	66 Å²	66	25.8 Å²	25.8	29%	0.287	13%	0.127	S	C	.	.	S	Bend	trans	-65.8	-32.3	171.6	-60.3	-177.5	-178.8	176.4	0	112.2	G86 L87 H88 L524	G86-K540 CarbonylContact C-O 3.45Å; L87-K540 PolarHBondContact N-O 3.27Å; H88-K540 PolarHBondContact N-O 2.8Å; L524-K540 HydrophobicContact CD1-CG 3.84Å
541	E	90.4	Very high	94.1	Very high	62 Å²	62	23.7 Å²	23.7	29%	0.29	11%	0.112	S	C	.	.	S	Bend	trans	-68.6	-37.7	-177.4	-43.7	-52	115.5	0	0	112.6	F517 V519 S521 S539	F517-E541 HydrophobicContact CB-CG 4.08Å; F517-E541 HydrophobicContact CD1-CB 3.75Å; F517-E541 HydrophobicContact CD1-CG 4.12Å; F517-E541 HydrophobicContact CE1-CB 4.23Å; F517-E541 HydrophobicContact CG-CB 4.29Å; F517-E541 HydrophobicContact CG-CG 4.15Å; V519-E541 HydrophobicContact CB-CG 4.42Å; S521-E541 WeakPolarHBondContact CB-OE1 3.4Å; S521-E541 PolarHBondContact OG-OE1 2.96Å; S539-E541 VanDerWaalsContact C-N 3.27Å; S539-E541 PolarHBondContact O-N 3.26Å; S539-E541 PolarHBondContact OG-N 3.46Å
542	G	91.6	Very high	93.9	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.01	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.9	-163.2	-167.1	0	0	0	0	0	113.8	F80 S89 S539	F80-G542 WeakPolarHBondContact O-CA 3.22Å; S89-G542 WeakPolarHBondContact CB-O 3.28Å; S89-G542 PolarHBondContact OG-O 3.22Å; S539-G542 PolarHBondContact N-O 2.96Å
543	L	94.2	Very high	93.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	137.2	169	166.5	66.7	0	0	0	108.3	F80 L92 L101 L103 L112 L117	F80-L543 HydrophobicContact CB-CB 4.31Å; F80-L543 HydrophobicContact CD1-CB 4.49Å; F80-L543 PolarHBondContact N-O 2.66Å; F80-L543 PolarHBondContact O-N 2.78Å; L92-L543 HydrophobicContact CD1-CD1 4.25Å; L92-L543 HydrophobicContact CD2-CD1 4.16Å; L92-L543 HydrophobicContact CD2-CD2 4.37Å; L101-L543 HydrophobicContact CD2-CD2 3.75Å; L103-L543 HydrophobicContact CD2-CB 3.86Å; L103-L543 HydrophobicContact CD2-CD2 4.05Å; L112-L543 HydrophobicContact CD1-CD2 3.76Å; L117-L543 HydrophobicContact CD1-CD2 3.9Å; L117-L543 HydrophobicContact CD1-CG 4.07Å; L117-L543 HydrophobicContact CD2-CD2 4.26Å
544	A	94.3	Very high	93.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	140.5	168.4	0	0	0	0	0	110.9	I77 Y78 L79 V516 F517 Y536 V537 V546	I77-A544 HydrophobicContact CD1-CB 3.92Å; I77-A544 HydrophobicContact CG1-CB 4.11Å; Y78-A544 CarbonylContact O-C 3.58Å; Y78-A544 WeakPolarHBondContact O-CA 3.49Å; L79-A544 HydrophobicContact CD2-CB 3.73Å; V516-A544 HydrophobicContact CG1-CB 3.3Å; F517-A544 HydrophobicContact CE1-CB 4.27Å; F517-A544 HydrophobicContact CZ-CB 3.98Å; Y536-A544 CarbonylContact C-O 3.55Å; Y536-A544 WeakPolarHBondContact CA-O 3.21Å; V537-A544 HydrophobicContact CB-CB 4.33Å; V537-A544 PolarHBondContact N-O 3.2Å; V537-A544 PolarHBondContact O-N 2.79Å; A544-V546 HydrophobicContact CB-CG2 4.28Å
545	Q	95.3	Very high	92.8	Very high	18 Å²	18	18.7 Å²	18.7	8%	0.084	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	124	164.1	167.6	171.6	53.9	0	0	107.7	I77 Y78 P114 L117 Q534 L535 Y536	I77-Q545 CarbonylContact C-O 3.55Å; I77-Q545 VanDerWaalsContact CA-O 3.24Å; I77-Q545 WeakPolarHBondContact CA-O 3.36Å; Y78-Q545 PolarHBondContact N-O 2.76Å; Y78-Q545 PolarHBondContact O-N 2.89Å; P114-Q545 PolarHBondContact O-NE2 3.29Å; L117-Q545 HydrophobicContact CD1-CB 3.52Å; L117-Q545 HydrophobicContact CG-CB 4.13Å; Q534-Q545 HydrophobicContact CB-CG 4.32Å; Q534-Q545 HydrophobicContact CG-CG 4.26Å; Q534-Q545 VanDerWaalsContact OE1-CG 3.32Å; L535-Q545 CarbonylContact O-C 3.52Å; L535-Q545 WeakPolarHBondContact O-CA 3.23Å; Y536-Q545 HydrophobicContact CD1-CB 4.22Å; Y536-Q545 HydrophobicContact CE1-CB 4.11Å; Y536-Q545 HydrophobicContact CE1-CG 4.06Å; Y536-Q545 PolarHBondContact OH-NE2 3.3Å
546	V	96	Very high	92	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.012	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	131.7	-174.3	-176.7	0	0	0	0	109.4	I77 L514 V516 Q534 L535 V537 A544	I77-V546 HydrophobicContact CD1-CG2 4.06Å; I77-V546 HydrophobicContact CG1-CG2 3.95Å; L514-V546 HydrophobicContact CD1-CG1 4.03Å; V516-V546 HydrophobicContact CG1-CG2 4.35Å; Q534-V546 PolarHBondContact OE1-O 2.77Å; L535-V546 HydrophobicContact CB-CB 4.3Å; L535-V546 PolarHBondContact N-O 2.64Å; L535-V546 PolarHBondContact O-N 2.94Å; V537-V546 HydrophobicContact CG2-CG2 4.12Å; A544-V546 HydrophobicContact CB-CG2 4.28Å
547	S	95.4	Very high	91.4	Very high	28 Å²	28	28.9 Å²	28.9	20%	0.196	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	132.3	176.4	-178.8	0	0	0	0	111.5	S76 S549	S76-S547 PolarHBondContact O-N 3.49Å; S547-S549 PolarHBondContact O-N 2.94Å; S547-S549 PolarHBondContact OG-N 2.91Å; S547-S549 PolarHBondContact OG-O 3.07Å
548	L	95.9	Very high	90.9	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	15%	0.153	C	C	.	.	S	Bend	trans	-65	-22.1	176.3	-59.1	178.4	0	0	0	113.2	F485 K495 I528 Q533 L535 Y568	F485-L548 HydrophobicContact CD2-CD2 4.39Å; F485-L548 HydrophobicContact CE1-CD2 3.93Å; F485-L548 HydrophobicContact CE2-CD2 3.79Å; F485-L548 HydrophobicContact CZ-CB 4.1Å; F485-L548 HydrophobicContact CZ-CD2 3.52Å; F485-L548 HydrophobicContact CZ-CG 4.36Å; K495-L548 PolarHBondContact NZ-O 3.13Å; I528-L548 HydrophobicContact CD1-CD1 4.03Å; I528-L548 HydrophobicContact CD1-CD2 3.81Å; I528-L548 HydrophobicContact CG1-CD1 4.17Å; I528-L548 HydrophobicContact CG1-CD2 4.13Å; Q533-L548 HydrophobicContact CB-CD1 4.46Å; Q533-L548 PolarHBondContact O-N 2.86Å; L535-L548 HydrophobicContact CB-CD2 3.78Å; L548-Y568 HydrophobicContact CB-CE1 4.07Å; L548-Y568 HydrophobicContact CB-CE2 4.43Å; L548-Y568 HydrophobicContact CD1-CE1 4.42Å
549	S	94.2	Very high	90.5	Very high	17 Å²	17	29.9 Å²	29.9	12%	0.119	16%	0.157	C	C	.	.			trans	-136.1	132.8	-175.7	69.7	0	0	0	0	111.6	S547 R578	S547-S549 PolarHBondContact O-N 2.94Å; S547-S549 PolarHBondContact OG-N 2.91Å; S547-S549 PolarHBondContact OG-O 3.07Å; S549-R578 PolarHBondContact OG-NH1 3.45Å
550	R	93.8	Very high	90.1	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.015	17%	0.166	C	C	.	.			trans	-150.4	41.6	-171.1	48.9	-174.2	-43.5	-52.1	-18.4	113.1	S76 E512 H552 L553	S76-R550 PolarHBondContact OG-NE 3.07Å; S76-R550 PolarHBondContact OG-NH2 3.38Å; E512-R550 WeakPolarHBondContact OE1-CD 3.42Å; E512-R550 VanDerWaalsContact OE1-CG 3.28Å; E512-R550 WeakPolarHBondContact OE1-CG 3.31Å; E512-R550 IonicContact OE1-CZ 2.76Å; E512-R550 IonicContact OE1-NE 3.79Å; E512-R550 IonicContact OE1-NH1 3.47Å; E512-R550 PolarHBondContact OE1-NH1 3.23Å; E512-R550 WeakPolarHBondContact OE2-CD 3.02Å; R550-H552 PolarHBondContact O-N 2.88Å; R550-L553 PolarHBondContact O-N 2.95Å
551	C	93.3	Very high	90.1	Very high	6 Å²	6	28.8 Å²	28.8	4%	0.041	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-48.9	-32	-169.9	-43.3	0	0	0	0	115.8	L553 Y554 C569 C576 S577	C551-L553 PolarHBondContact O-N 3.31Å; C551-L553 VanDerWaalsContact O-N 3.1Å; C551-Y554 PolarHBondContact O-N 2.89Å; C551-C569 WeakPolarHBondContact CA-SG 3.07Å; C551-C569 HydrophobicContact CB-CB 3.61Å; C551-C569 WeakPolarHBondContact CB-SG 3.22Å; C551-C569 WeakPolarHBondContact SG-CA 3.09Å; C551-C569 WeakPolarHBondContact SG-CB 3.28Å; C551-C569 CovalentContact SG-SG 2.03Å; C551-C569 PolarHBondContact SG-SG 3.03Å; C551-C576 CarbonylContact C-O 3.47Å; C551-C576 VanDerWaalsContact CB-O 3.29Å; C551-C576 WeakPolarHBondContact CB-O 3.47Å; C551-S577 PolarHBondContact SG-O 2.98Å; C551-S577 VanDerWaalsContact SG-O 3.37Å
552	H	89.1	Confident	90	Very high	106 Å²	106	26 Å²	26	49%	0.491	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-63.2	-14.6	-177.9	67.5	-94.4	0	0	0	114.5	R550 C576	R550-H552 PolarHBondContact O-N 2.88Å; H552-C576 PolarHBondContact N-O 2.95Å
553	L	88.7	Confident	89.9	Confident	63 Å²	63	26 Å²	26	33%	0.33	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-90.3	-15.2	171.5	-71.6	-154.2	0	0	0	114.6	L66 A74 R550 C551 G555	L66-L553 HydrophobicContact CD1-CD1 4.35Å; L66-L553 HydrophobicContact CD2-CD1 4.04Å; A74-L553 HydrophobicContact CB-CD1 3.96Å; A74-L553 HydrophobicContact CB-CD2 4.26Å; A74-L553 HydrophobicContact CB-CG 4.23Å; R550-L553 PolarHBondContact O-N 2.95Å; C551-L553 PolarHBondContact O-N 3.31Å; C551-L553 VanDerWaalsContact O-N 3.1Å; L553-G555 VanDerWaalsContact C-N 3.34Å
554	Y	87.3	Confident	89.7	Confident	11 Å²	11	26 Å²	26	4%	0.043	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-37.2	177.7	-67.2	-50.7	0	0	0	111.7	V64 E512 C551 A564 D566 C569	V64-Y554 HydrophobicContact CG2-CD1 4.01Å; V64-Y554 HydrophobicContact CG2-CE1 4.02Å; E512-Y554 HydrophobicContact CG-CE1 4.32Å; C551-Y554 PolarHBondContact O-N 2.89Å; Y554-A564 HydrophobicContact CD1-CB 3.83Å; Y554-A564 HydrophobicContact CD2-CB 3.51Å; Y554-A564 HydrophobicContact CE1-CB 4.19Å; Y554-A564 HydrophobicContact CE2-CB 3.89Å; Y554-A564 HydrophobicContact CG-CB 3.49Å; Y554-A564 VanDerWaalsContact CG-CB 3.49Å; Y554-D566 HydrophobicContact CE2-CB 3.65Å; Y554-D566 VanDerWaalsContact CE2-OD2 3.24Å; Y554-D566 WeakPolarHBondContact CE2-OD2 3.45Å; Y554-D566 PolarHBondContact OH-OD2 3.12Å; Y554-C569 HydrophobicContact CD2-CB 4.4Å; Y554-C569 HydrophobicContact CE2-CB 4.28Å
555	G	80.5	Confident	89.6	Confident	6 Å²	6	26.4 Å²	26.4	6%	0.062	14%	0.142	C	C	.	.			trans	171.7	176.3	177.9	0	0	0	0	0	115.9	L553 E560	L553-G555 VanDerWaalsContact C-N 3.34Å; G555-E560 VanDerWaalsContact CA-CD 3.42Å; G555-E560 WeakPolarHBondContact CA-OE2 3.29Å
556	Q	80.6	Confident	89.6	Confident	171 Å²	171	25.7 Å²	25.7	80%	0.799	14%	0.139	S	C	*	.	S	Bend	trans	-110.8	-3.8	169.3	-67.6	-174.7	-3.3	0	0	112.2	E560 W571	Q556-E560 PolarHBondContact N-OE2 3.36Å; Q556-W571 WeakPolarHBondContact O-CH2 3.39Å; Q556-W571 VanDerWaalsContact O-CZ3 3.31Å; Q556-W571 WeakPolarHBondContact O-CZ3 3.02Å
557	A	84.6	Confident	89.6	Confident	44 Å²	44	25.6 Å²	25.6	36%	0.364	14%	0.139	S	C	.	.	S	Bend	trans	-103.6	152.4	172	0	0	0	0	0	112.7	A559 E560 C561	A557-A559 VanDerWaalsContact C-N 3.26Å; A557-A559 PolarHBondContact O-N 3.09Å; A557-E560 HydrophobicContact CB-CG 4.21Å; A557-E560 PolarHBondContact N-OE2 3.01Å; A557-E560 PolarHBondContact O-N 2.89Å; A557-C561 PolarHBondContact O-N 3.25Å
558	C	86.4	Confident	89.6	Confident	10 Å²	10	24.3 Å²	24.3	7%	0.068	13%	0.13	C	C	.	.	H	α-helix	trans	-54.1	-42.9	173.6	179.8	0	0	0	0	112.4	C561 C562 W571 R589 C601	C558-C561 WeakPolarHBondContact O-CB 3.23Å; C558-C561 PolarHBondContact O-N 3.14Å; C558-C562 PolarHBondContact O-N 2.63Å; C558-C562 PolarHBondContact O-SG 3.27Å; C558-W571 HydrophobicContact CB-CD2 3.78Å; C558-W571 HydrophobicContact CB-CE3 4.28Å; C558-W571 HydrophobicContact CB-CG 3.95Å; C558-W571 HydrophobicContact CB-CZ2 4.39Å; C558-R589 WeakPolarHBondContact SG-CD 3.15Å; C558-C601 HydrophobicContact CB-CB 3.78Å; C558-C601 WeakPolarHBondContact CB-SG 3.22Å; C558-C601 PolarHBondContact O-SG 3.22Å; C558-C601 VanDerWaalsContact O-SG 3.41Å; C558-C601 WeakPolarHBondContact SG-CB 3.33Å; C558-C601 CovalentContact SG-SG 2.04Å; C558-C601 PolarHBondContact SG-SG 2.84Å
559	A	86	Confident	89.5	Confident	11 Å²	11	24.4 Å²	24.4	9%	0.091	13%	0.13	C	C	.	.	H	α-helix	trans	-64.5	-46.9	-179	0	0	0	0	0	112.6	A557 C561 C562 L563 P597 F690	A557-A559 VanDerWaalsContact C-N 3.26Å; A557-A559 PolarHBondContact O-N 3.09Å; A559-C561 PolarHBondContact O-N 2.82Å; A559-C562 PolarHBondContact O-N 2.7Å; A559-L563 WeakPolarHBondContact O-CB 3.4Å; A559-L563 WeakPolarHBondContact O-CD1 3.39Å; A559-L563 WeakPolarHBondContact O-CG 3.44Å; A559-L563 PolarHBondContact O-N 2.88Å; A559-P597 HydrophobicContact CB-CB 3.63Å; A559-P597 HydrophobicContact CB-CG 3.82Å; A559-F690 HydrophobicContact CB-CE1 4.2Å; A559-F690 HydrophobicContact CB-CE2 4.04Å; A559-F690 HydrophobicContact CB-CZ 3.52Å
560	E	85.1	Confident	89.5	Confident	38 Å²	38	23.8 Å²	23.8	18%	0.178	13%	0.126	C	C	.	.	H	α-helix	trans	-55.8	-37.6	175.1	-68.1	178.4	113	0	0	111.6	G555 Q556 A557 A564 K633	G555-E560 VanDerWaalsContact CA-CD 3.42Å; G555-E560 WeakPolarHBondContact CA-OE2 3.29Å; Q556-E560 PolarHBondContact N-OE2 3.36Å; A557-E560 HydrophobicContact CB-CG 4.21Å; A557-E560 PolarHBondContact N-OE2 3.01Å; A557-E560 PolarHBondContact O-N 2.89Å; E560-A564 PolarHBondContact O-N 2.8Å; E560-K633 IonicContact OE1-NZ 3.07Å; E560-K633 PolarHBondContact OE1-NZ 2.8Å
561	C	89.4	Confident	89.3	Confident	6 Å²	6	24.5 Å²	24.5	4%	0.041	13%	0.129	C	C	.	.	H	α-helix	trans	-73.8	-38.3	179.1	-162.3	0	0	0	0	113.4	A557 C558 A559 A564 W571 C576	A557-C561 PolarHBondContact O-N 3.25Å; C558-C561 WeakPolarHBondContact O-CB 3.23Å; C558-C561 PolarHBondContact O-N 3.14Å; A559-C561 PolarHBondContact O-N 2.82Å; C561-A564 WeakPolarHBondContact O-CB 3.38Å; C561-A564 PolarHBondContact O-N 3.17Å; C561-W571 HydrophobicContact CB-CB 4.35Å; C561-W571 HydrophobicContact CB-CE3 4.2Å; C561-W571 PolarHBondContact SG-N 3.01Å; C561-W571 VanDerWaalsContact SG-N 3.45Å; C561-C576 VanDerWaalsContact CA-SG 3.52Å; C561-C576 HydrophobicContact CB-CB 3.55Å; C561-C576 WeakPolarHBondContact CB-SG 3.46Å; C561-C576 WeakPolarHBondContact SG-CA 3.17Å; C561-C576 WeakPolarHBondContact SG-CB 3.38Å; C561-C576 CovalentContact SG-SG 2.04Å; C561-C576 PolarHBondContact SG-SG 2.87Å
562	C	88.8	Confident	89	Confident	2 Å²	2	26.2 Å²	26.2	1%	0.014	14%	0.138	C	C	.	.	H	α-helix	trans	-71.1	-42.5	177.3	-62.8	0	0	0	0	111.3	C558 A559 A564 R565	C558-C562 PolarHBondContact O-N 2.63Å; C558-C562 PolarHBondContact O-SG 3.27Å; A559-C562 PolarHBondContact O-N 2.7Å; C562-A564 PolarHBondContact O-N 3.42Å; C562-A564 VanDerWaalsContact O-N 3.12Å; C562-R565 PolarHBondContact O-N 2.87Å; C562-R565 VanDerWaalsContact O-N 3.16Å
563	L	88.5	Confident	88.8	Confident	1 Å²	1	22.6 Å²	22.6	1%	0.005	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-19	173.5	-71.3	160.4	0	0	0	113.3	R63 A559 R565 P597 E686 F690	R63-L563 WeakPolarHBondContact CD-O 3.49Å; R63-L563 PolarHBondContact NE-O 3.26Å; R63-L563 VanDerWaalsContact NE-O 3.15Å; R63-L563 PolarHBondContact NH1-O 2.92Å; R63-L563 VanDerWaalsContact NH2-CB 3.34Å; A559-L563 WeakPolarHBondContact O-CB 3.4Å; A559-L563 WeakPolarHBondContact O-CD1 3.39Å; A559-L563 WeakPolarHBondContact O-CG 3.44Å; A559-L563 PolarHBondContact O-N 2.88Å; L563-R565 PolarHBondContact O-N 2.95Å; L563-P597 HydrophobicContact CD1-CG 3.91Å; L563-P597 HydrophobicContact CD2-CG 4.1Å; L563-P597 HydrophobicContact CG-CG 3.64Å; L563-E686 HydrophobicContact CD1-CB 4.4Å; L563-E686 HydrophobicContact CD2-CB 4.1Å; L563-F690 HydrophobicContact CD1-CD1 3.59Å; L563-F690 HydrophobicContact CD1-CE1 3.72Å; L563-F690 HydrophobicContact CD1-CG 4.35Å
564	A	90.5	Very high	88.5	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-31.5	175.5	0	0	0	0	0	113.2	L511 Y554 E560 C561 C562 D566	L511-A564 VanDerWaalsContact CD2-O 3.28Å; L511-A564 WeakPolarHBondContact CD2-O 3.46Å; Y554-A564 HydrophobicContact CD1-CB 3.83Å; Y554-A564 HydrophobicContact CD2-CB 3.51Å; Y554-A564 HydrophobicContact CE1-CB 4.19Å; Y554-A564 HydrophobicContact CE2-CB 3.89Å; Y554-A564 HydrophobicContact CG-CB 3.49Å; Y554-A564 VanDerWaalsContact CG-CB 3.49Å; E560-A564 PolarHBondContact O-N 2.8Å; C561-A564 WeakPolarHBondContact O-CB 3.38Å; C561-A564 PolarHBondContact O-N 3.17Å; C562-A564 PolarHBondContact O-N 3.42Å; C562-A564 VanDerWaalsContact O-N 3.12Å; A564-D566 PolarHBondContact O-N 3.07Å
565	R	92.4	Very high	88.6	Confident	9 Å²	9	30.3 Å²	30.3	3%	0.034	17%	0.168	C	C	.	.			trans	50.9	20.2	-177.8	-59	172.5	76.5	-168.8	8.3	114.5	E507 L511 C562 L563 P567 I592 K593 H687	E507-R565 IonicContact OE1-CZ 3.74Å; E507-R565 IonicContact OE1-NH1 3.25Å; E507-R565 PolarHBondContact OE1-NH1 3.39Å; E507-R565 IonicContact OE1-NH2 2.66Å; E507-R565 PolarHBondContact OE1-NH2 3.27Å; E507-R565 IonicContact OE2-CZ 3.86Å; E507-R565 IonicContact OE2-NH1 3.37Å; E507-R565 IonicContact OE2-NH2 2.7Å; E507-R565 PolarHBondContact OE2-NH2 2.79Å; L511-R565 HydrophobicContact CD2-CB 4.44Å; C562-R565 PolarHBondContact O-N 2.87Å; C562-R565 VanDerWaalsContact O-N 3.16Å; L563-R565 PolarHBondContact O-N 2.95Å; R565-P567 WeakPolarHBondContact O-CD 3.26Å; R565-I592 PolarHBondContact NE-O 3.21Å; R565-I592 PolarHBondContact NH2-O 2.77Å; R565-I592 WeakPolarHBondContact O-CG2 3.4Å; R565-K593 PolarHBondContact NH2-O 2.93Å; R565-H687 PolarHBondContact NH1-CE1 3.34Å
566	D	95.1	Very high	89.1	Confident	3 Å²	3	30.1 Å²	30.1	2%	0.016	17%	0.166	C	C	.	.			trans	-84.7	114.9	-178.1	-176.5	-14.1	0	0	0	110.1	K495 L511 Y554 A564 Y568 C569	K495-D566 IonicContact NZ-OD1 2.66Å; K495-D566 PolarHBondContact NZ-OD1 2.8Å; K495-D566 IonicContact NZ-OD2 3.96Å; K495-D566 PolarHBondContact NZ-OD2 3.14Å; L511-D566 HydrophobicContact CD1-CB 4.15Å; L511-D566 HydrophobicContact CD2-CB 4.48Å; Y554-D566 HydrophobicContact CE2-CB 3.65Å; Y554-D566 VanDerWaalsContact CE2-OD2 3.24Å; Y554-D566 WeakPolarHBondContact CE2-OD2 3.45Å; Y554-D566 PolarHBondContact OH-OD2 3.12Å; A564-D566 PolarHBondContact O-N 3.07Å; D566-Y568 PolarHBondContact O-N 3.5Å; D566-Y568 WeakPolarHBondContact OD1-CD2 3.46Å; D566-Y568 PolarHBondContact OD1-N 3.14Å; D566-Y568 VanDerWaalsContact OD1-N 3.12Å; D566-C569 HydrophobicContact CB-CB 4.12Å; D566-C569 PolarHBondContact O-N 2.9Å; D566-C569 VanDerWaalsContact O-O 3.12Å
567	P	95.6	Very high	89.6	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-26	-177	-25.8	34.5	0	0	0	114.3	V474 Y481 V483 V497 R565 C569 Q590 I592	V474-P567 HydrophobicContact CB-CB 4Å; V474-P567 HydrophobicContact CG1-CB 3.83Å; Y481-P567 HydrophobicContact CD2-CB 4.27Å; Y481-P567 HydrophobicContact CD2-CG 4.15Å; Y481-P567 HydrophobicContact CG-CB 4.41Å; Y481-P567 HydrophobicContact CG-CG 3.9Å; V483-P567 HydrophobicContact CG2-CB 4.4Å; V483-P567 HydrophobicContact CG2-CG 3.83Å; V497-P567 HydrophobicContact CG2-CG 4.32Å; R565-P567 WeakPolarHBondContact O-CD 3.26Å; P567-C569 VanDerWaalsContact C-N 3.27Å; P567-C569 PolarHBondContact O-N 3.01Å; P567-Q590 PolarHBondContact O-NE2 2.75Å; P567-I592 HydrophobicContact CB-CG1 4.42Å; P567-I592 HydrophobicContact CG-CG1 4.14Å; P567-I592 HydrophobicContact CG-CG2 4.37Å
568	Y	95.8	Very high	90	Very high	2 Å²	2	26 Å²	26	1%	0.008	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-6.9	177.7	-62.8	-86.8	0	0	0	114.1	D472 V474 V483 F485 L548 D566 R578 Y579	D472-Y568 WeakPolarHBondContact CB-OH 3.32Å; D472-Y568 VanDerWaalsContact CG-OH 3.28Å; D472-Y568 WeakPolarHBondContact OD2-CE1 3.47Å; D472-Y568 PolarHBondContact OD2-OH 2.91Å; V474-Y568 HydrophobicContact CB-CE1 4.45Å; V474-Y568 HydrophobicContact CG1-CD1 3.72Å; V474-Y568 HydrophobicContact CG1-CD2 4.33Å; V474-Y568 HydrophobicContact CG1-CE1 3.91Å; V474-Y568 HydrophobicContact CG1-CG 3.97Å; V474-Y568 HydrophobicContact CG2-CD1 4.24Å; V474-Y568 HydrophobicContact CG2-CD2 4.23Å; V474-Y568 HydrophobicContact CG2-CE1 3.63Å; V474-Y568 HydrophobicContact CG2-CE2 3.68Å; V483-Y568 HydrophobicContact CB-CE2 4.27Å; V483-Y568 HydrophobicContact CG1-CE2 4.13Å; V483-Y568 HydrophobicContact CG2-CE2 4.25Å; F485-Y568 HydrophobicContact CE2-CE2 4.41Å; F485-Y568 AromaticContact CZ-CE2 3.98Å; F485-Y568 HydrophobicContact CZ-CE2 3.98Å; L548-Y568 HydrophobicContact CB-CE1 4.07Å; L548-Y568 HydrophobicContact CB-CE2 4.43Å; L548-Y568 HydrophobicContact CD1-CE1 4.42Å; D566-Y568 PolarHBondContact O-N 3.5Å; D566-Y568 WeakPolarHBondContact OD1-CD2 3.46Å; D566-Y568 PolarHBondContact OD1-N 3.14Å; D566-Y568 VanDerWaalsContact OD1-N 3.12Å; Y568-R578 CarbonylContact O-C 3.53Å; Y568-R578 WeakPolarHBondContact O-CA 3.42Å; Y568-R578 WeakPolarHBondContact O-CG 3.37Å; Y568-Y579 PolarHBondContact O-N 2.97Å
569	C	94.6	Very high	90.2	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.02	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	137.2	-167.2	-63.6	0	0	0	0	112.4	C551 Y554 D566 P567 S577 Q590	C551-C569 WeakPolarHBondContact CA-SG 3.07Å; C551-C569 HydrophobicContact CB-CB 3.61Å; C551-C569 WeakPolarHBondContact CB-SG 3.22Å; C551-C569 WeakPolarHBondContact SG-CA 3.09Å; C551-C569 WeakPolarHBondContact SG-CB 3.28Å; C551-C569 CovalentContact SG-SG 2.03Å; C551-C569 PolarHBondContact SG-SG 3.03Å; Y554-C569 HydrophobicContact CD2-CB 4.4Å; Y554-C569 HydrophobicContact CE2-CB 4.28Å; D566-C569 HydrophobicContact CB-CB 4.12Å; D566-C569 PolarHBondContact O-N 2.9Å; D566-C569 VanDerWaalsContact O-O 3.12Å; P567-C569 VanDerWaalsContact C-N 3.27Å; P567-C569 PolarHBondContact O-N 3.01Å; C569-S577 WeakPolarHBondContact CA-O 3.48Å; C569-Q590 WeakPolarHBondContact O-CG 3.27Å; C569-Q590 PolarHBondContact O-NE2 2.87Å
570	A	92.9	Very high	90.1	Very high	4 Å²	4	29.9 Å²	29.9	3%	0.033	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	155.4	177.6	0	0	0	0	0	110.5	S577 Y579 Q590	A570-S577 PolarHBondContact N-O 2.84Å; A570-S577 PolarHBondContact O-N 2.98Å; A570-S577 VanDerWaalsContact O-O 3.05Å; A570-Y579 HydrophobicContact CB-CD2 3.96Å; A570-Q590 HydrophobicContact CB-CB 3.98Å; A570-Q590 HydrophobicContact CB-CG 4.11Å
571	W	90.8	Very high	89.9	Confident	19 Å²	19	32.1 Å²	32.1	7%	0.072	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	129.8	168.4	-177.2	-99.5	0	0	0	109.1	Q556 C558 C561 G573 H574 T575 R588 R589	Q556-W571 WeakPolarHBondContact O-CH2 3.39Å; Q556-W571 VanDerWaalsContact O-CZ3 3.31Å; Q556-W571 WeakPolarHBondContact O-CZ3 3.02Å; C558-W571 HydrophobicContact CB-CD2 3.78Å; C558-W571 HydrophobicContact CB-CE3 4.28Å; C558-W571 HydrophobicContact CB-CG 3.95Å; C558-W571 HydrophobicContact CB-CZ2 4.39Å; C561-W571 HydrophobicContact CB-CB 4.35Å; C561-W571 HydrophobicContact CB-CE3 4.2Å; C561-W571 PolarHBondContact SG-N 3.01Å; C561-W571 VanDerWaalsContact SG-N 3.45Å; W571-G573 VanDerWaalsContact CD1-N 3.32Å; W571-G573 VanDerWaalsContact NE1-CA 3.32Å; W571-G573 PolarHBondContact NE1-O 3.14Å; W571-H574 WeakPolarHBondContact CH2-O 3.21Å; W571-T575 VanDerWaalsContact CZ3-C 3.44Å; W571-T575 VanDerWaalsContact CZ3-CA 3.49Å; W571-R588 VanDerWaalsContact O-CA 3.27Å; W571-R588 WeakPolarHBondContact O-CA 3.4Å; W571-R589 HydrophobicContact CB-CB 4.22Å; W571-R589 PolarHBondContact N-O 2.91Å; W571-R589 PolarHBondContact O-N 3.41Å; W571-R589 VanDerWaalsContact O-N 3.17Å
572	D	86.1	Confident	89	Confident	42 Å²	42	34.7 Å²	34.7	23%	0.225	20%	0.198	C	C	.	.			trans	-94.1	-15.1	-178.8	56.4	31.2	0	0	0	114.9	H574 T575 S577 S587	D572-H574 PolarHBondContact OD1-N 2.04Å; D572-T575 PolarHBondContact N-O 3.2Å; D572-T575 VanDerWaalsContact N-O 3.16Å; D572-T575 PolarHBondContact OD1-N 2.97Å; D572-T575 PolarHBondContact OD2-OG1 3.38Å; D572-T575 VanDerWaalsContact OD2-OG1 3.08Å; D572-S577 VanDerWaalsContact OD2-CB 3.24Å; D572-S577 WeakPolarHBondContact OD2-CB 3.43Å; D572-S577 PolarHBondContact OD2-OG 3.25Å; D572-S587 CarbonylContact C-O 3.6Å; D572-S587 WeakPolarHBondContact O-CB 3.41Å; D572-S587 PolarHBondContact O-OG 3.21Å
573	G	84.4	Confident	87.6	Confident	30 Å²	30	40.5 Å²	40.5	31%	0.309	24%	0.239	S	C	.	.	S	Bend	trans	128	-26.7	-169.8	0	0	0	0	0	112.5	W571	W571-G573 VanDerWaalsContact CD1-N 3.32Å; W571-G573 VanDerWaalsContact NE1-CA 3.32Å; W571-G573 PolarHBondContact NE1-O 3.14Å
574	H	82.8	Confident	86.2	Confident	164 Å²	164	49 Å²	49	76%	0.759	28%	0.276	S	S	*	.	S	Bend	trans	-131.7	-31.2	-175.1	-58	-61.2	0	0	0	114.1	W571 D572	W571-H574 WeakPolarHBondContact CH2-O 3.21Å; D572-H574 PolarHBondContact OD1-N 2.04Å
575	T	88.8	Confident	84.7	Confident	71 Å²	71	57.6 Å²	57.6	44%	0.436	31%	0.308	S	S	.	.	S	Bend	trans	-144.8	162.7	-178.6	64.7	0	0	0	0	112.4	W571 D572 S577	W571-T575 VanDerWaalsContact CZ3-C 3.44Å; W571-T575 VanDerWaalsContact CZ3-CA 3.49Å; D572-T575 PolarHBondContact N-O 3.2Å; D572-T575 VanDerWaalsContact N-O 3.16Å; D572-T575 PolarHBondContact OD1-N 2.97Å; D572-T575 PolarHBondContact OD2-OG1 3.38Å; D572-T575 VanDerWaalsContact OD2-OG1 3.08Å; T575-S577 PolarHBondContact O-N 3.42Å
576	C	91.2	Very high	83.1	Confident	3 Å²	3	69.5 Å²	69.5	2%	0.02	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	101.5	164.9	-162.4	0	0	0	0	109.2	C551 H552 C561	C551-C576 CarbonylContact C-O 3.47Å; C551-C576 VanDerWaalsContact CB-O 3.29Å; C551-C576 WeakPolarHBondContact CB-O 3.47Å; H552-C576 PolarHBondContact N-O 2.95Å; C561-C576 VanDerWaalsContact CA-SG 3.52Å; C561-C576 HydrophobicContact CB-CB 3.55Å; C561-C576 WeakPolarHBondContact CB-SG 3.46Å; C561-C576 WeakPolarHBondContact SG-CA 3.17Å; C561-C576 WeakPolarHBondContact SG-CB 3.38Å; C561-C576 CovalentContact SG-SG 2.04Å; C561-C576 PolarHBondContact SG-SG 2.87Å
577	S	92.1	Very high	81.6	Confident	36 Å²	36	72.3 Å²	72.3	25%	0.252	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	179.6	-173.7	72.4	0	0	0	0	111.6	C551 C569 A570 D572 T575	C551-S577 PolarHBondContact SG-O 2.98Å; C551-S577 VanDerWaalsContact SG-O 3.37Å; C569-S577 WeakPolarHBondContact CA-O 3.48Å; A570-S577 PolarHBondContact N-O 2.84Å; A570-S577 PolarHBondContact O-N 2.98Å; A570-S577 VanDerWaalsContact O-O 3.05Å; D572-S577 VanDerWaalsContact OD2-CB 3.24Å; D572-S577 WeakPolarHBondContact OD2-CB 3.43Å; D572-S577 PolarHBondContact OD2-OG 3.25Å; T575-S577 PolarHBondContact O-N 3.42Å
578	R	92.1	Very high	80.9	Confident	93 Å²	93	76.4 Å²	76.4	35%	0.351	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	131.5	-174.3	-172	-170.8	164.2	83.3	7.5	110.6	S549 Y568 V580	S549-R578 PolarHBondContact OG-NH1 3.45Å; Y568-R578 CarbonylContact O-C 3.53Å; Y568-R578 WeakPolarHBondContact O-CA 3.42Å; Y568-R578 WeakPolarHBondContact O-CG 3.37Å; R578-V580 PolarHBondContact O-N 3.16Å
579	Y	90.7	Very high	80.5	Confident	25 Å²	25	78.3 Å²	78.3	10%	0.098	40%	0.396	C	S	.	.			trans	-62.8	131.8	170.5	-176.9	-100.5	0	0	0	111.1	M475 A476 D477 Y568 A570 P581	M475-Y579 HydrophobicContact CB-CE1 4.28Å; M475-Y579 WeakPolarHBondContact O-CD1 3.5Å; M475-Y579 WeakPolarHBondContact O-CE1 3.5Å; A476-Y579 VanDerWaalsContact C-CZ 3.42Å; A476-Y579 PolarHBondContact O-OH 3.46Å; A476-Y579 VanDerWaalsContact O-OH 3.14Å; D477-Y579 HydrophobicContact CB-CE2 4.15Å; D477-Y579 PolarHBondContact N-OH 2.88Å; Y568-Y579 PolarHBondContact O-N 2.97Å; A570-Y579 HydrophobicContact CB-CD2 3.96Å; Y579-P581 HydrophobicContact CE1-CG 3.87Å
580	V	85.3	Confident	80.2	Confident	76 Å²	76	79.1 Å²	79.1	46%	0.461	40%	0.399	S	S	.	.			trans	-142.3	116.5	178.3	176.4	0	0	0	0	107.3	R578 A582 R588	R578-V580 PolarHBondContact O-N 3.16Å; V580-A582 PolarHBondContact O-N 3.42Å; V580-R588 PolarHBondContact O-NH1 2.03Å; V580-R588 PolarHBondContact O-NH2 2.73Å
581	P	79.8	Confident	80	Confident	86 Å²	86	79.3 Å²	79.3	56%	0.558	40%	0.4	S	S	*	.			trans	-53.6	130.3	179.5	-27.6	34.6	0	0	0	112.7	M475 Y579	M475-P581 HydrophobicContact CB-CG 4.4Å; Y579-P581 HydrophobicContact CE1-CG 3.87Å
582	A	70	Confident	80.1	Confident	60 Å²	60	78.4 Å²	78.4	50%	0.496	40%	0.396	S	S	.	.			trans	-149.6	152.2	177.3	0	0	0	0	0	112.7	V580 K584 R588	V580-A582 PolarHBondContact O-N 3.42Å; A582-K584 PolarHBondContact O-N 3.3Å; A582-R588 VanDerWaalsContact CB-NH1 3.28Å
583	S	61	Low	80.2	Confident	123 Å²	123	79.2 Å²	79.2	86%	0.86	40%	0.398	S	S	*	.	S	Bend	trans	-76.9	-13.9	-174.4	54.6	0	0	0	0	115.5
584	K	57.5	Low	80.2	Confident	181 Å²	181	82 Å²	82	79%	0.787	41%	0.406	S	S	*	.			trans	-107.9	92.2	-179.5	-68	-174.6	179.3	-179.7	0	110.8	A582 R586	A582-K584 PolarHBondContact O-N 3.3Å; K584-R586 PolarHBondContact O-N 3.3Å
585	R	59.4	Low	80.4	Confident	179 Å²	179	74.3 Å²	74.3	68%	0.675	37%	0.37	S	S	*	.			trans	-68.9	-17.6	-171.5	-64	-174	174.9	-146	-4.2	116.9	S587 R588	R585-S587 VanDerWaalsContact C-N 3.29Å; R585-S587 PolarHBondContact O-N 2.92Å; R585-R588 PolarHBondContact O-N 3.21Å
586	R	59.3	Low	80.1	Confident	259 Å²	259	73.6 Å²	73.6	98%	0.977	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-1.1	-152.5	-65.1	-166.2	-175.7	-160.4	1.8	119	K584	K584-R586 PolarHBondContact O-N 3.3Å
587	S	63.6	Low	79.8	Confident	62 Å²	62	73.5 Å²	73.5	43%	0.434	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.6	-3.2	176.2	69.7	0	0	0	0	114.8	D572 R585	D572-S587 CarbonylContact C-O 3.6Å; D572-S587 WeakPolarHBondContact O-CB 3.41Å; D572-S587 PolarHBondContact O-OG 3.21Å; R585-S587 VanDerWaalsContact C-N 3.29Å; R585-S587 PolarHBondContact O-N 2.92Å
588	R	79.8	Confident	79.3	Confident	86 Å²	86	75 Å²	75	33%	0.325	38%	0.378	S	S	.	.			trans	-96.9	140.2	-173.6	-75.3	-179.3	178.9	164.3	-10.4	112.4	W571 V580 A582 R585	W571-R588 VanDerWaalsContact O-CA 3.27Å; W571-R588 WeakPolarHBondContact O-CA 3.4Å; V580-R588 PolarHBondContact O-NH1 2.03Å; V580-R588 PolarHBondContact O-NH2 2.73Å; A582-R588 VanDerWaalsContact CB-NH1 3.28Å; R585-R588 PolarHBondContact O-N 3.21Å
589	R	87.4	Confident	78.6	Confident	42 Å²	42	75.7 Å²	75.7	16%	0.158	39%	0.387	C	S	.	.	B	Isolated β-bridge	trans	-138.7	126.8	-176.2	-60.4	160.8	-179.4	161.9	-10.2	108.7	C558 W571 Q600 D603	C558-R589 WeakPolarHBondContact SG-CD 3.15Å; W571-R589 HydrophobicContact CB-CB 4.22Å; W571-R589 PolarHBondContact N-O 2.91Å; W571-R589 PolarHBondContact O-N 3.41Å; W571-R589 VanDerWaalsContact O-N 3.17Å; R589-Q600 HydrophobicContact CB-CB 4.3Å; R589-Q600 WeakPolarHBondContact CD-O 3.35Å; R589-Q600 WeakPolarHBondContact CG-O 3.29Å; R589-Q600 PolarHBondContact NE-O 2.77Å; R589-D603 IonicContact CZ-OD2 2.67Å; R589-D603 IonicContact NH1-OD2 3.37Å; R589-D603 PolarHBondContact NH1-OD2 2.89Å; R589-D603 IonicContact NH2-OD1 3.53Å; R589-D603 IonicContact NH2-OD2 3.65Å; R589-D603 PolarHBondContact NH2-OD2 3.38Å
590	Q	90.1	Very high	78.2	Confident	20 Å²	20	76.8 Å²	76.8	9%	0.093	39%	0.393	C	S	.	.			trans	-157	137.2	-177.3	-163.3	-175.4	33.8	0	0	107.8	P567 C569 A570 I592	P567-Q590 PolarHBondContact O-NE2 2.75Å; C569-Q590 WeakPolarHBondContact O-CG 3.27Å; C569-Q590 PolarHBondContact O-NE2 2.87Å; A570-Q590 HydrophobicContact CB-CB 3.98Å; A570-Q590 HydrophobicContact CB-CG 4.11Å; Q590-I592 HydrophobicContact CG-CD1 3.73Å
591	D	88.6	Confident	78	Confident	9 Å²	9	73.2 Å²	73.2	5%	0.048	37%	0.372	C	S	.	.			trans	-148.8	97.5	174.5	178	7.7	0	0	0	108.6	K593 N594 G595 D596 Q600	D591-K593 PolarHBondContact OD1-N 2.67Å; D591-N594 PolarHBondContact OD1-N 3.27Å; D591-N594 PolarHBondContact OD1-ND2 3.12Å; D591-N594 WeakPolarHBondContact OD2-CB 3.35Å; D591-N594 PolarHBondContact OD2-ND2 2.66Å; D591-G595 WeakPolarHBondContact O-CA 3.45Å; D591-G595 PolarHBondContact O-N 2.54Å; D591-G595 PolarHBondContact OD1-N 3.17Å; D591-G595 PolarHBondContact OD2-N 2.98Å; D591-D596 PolarHBondContact OD2-N 3.37Å; D591-Q600 HydrophobicContact CB-CG 3.93Å
592	I	91.3	Very high	77.5	Confident	0 Å²	0	78.9 Å²	78.9	0%	0	38%	0.382	C	S	.	.	S	Bend	trans	-80	-45.7	175.3	-63.1	94.9	0	0	0	109.5	A476 Y481 I499 R565 P567 Q590 N594	A476-I592 HydrophobicContact CB-CD1 3.46Å; A476-I592 VanDerWaalsContact CB-CD1 3.46Å; Y481-I592 HydrophobicContact CD1-CG2 3.93Å; Y481-I592 HydrophobicContact CD2-CB 4.44Å; Y481-I592 HydrophobicContact CD2-CD1 4.41Å; Y481-I592 HydrophobicContact CD2-CG1 4.46Å; Y481-I592 HydrophobicContact CD2-CG2 4.28Å; Y481-I592 HydrophobicContact CE1-CB 4.23Å; Y481-I592 HydrophobicContact CE1-CG2 3.52Å; Y481-I592 HydrophobicContact CE2-CB 3.8Å; Y481-I592 HydrophobicContact CE2-CD1 3.98Å; Y481-I592 HydrophobicContact CE2-CG1 4.15Å; Y481-I592 HydrophobicContact CE2-CG2 3.91Å; Y481-I592 HydrophobicContact CG-CG2 4.29Å; I499-I592 HydrophobicContact CD1-CG2 3.65Å; I499-I592 WeakPolarHBondContact CD1-O 3.38Å; I499-I592 HydrophobicContact CG1-CG2 4.22Å; R565-I592 PolarHBondContact NE-O 3.21Å; R565-I592 PolarHBondContact NH2-O 2.77Å; R565-I592 WeakPolarHBondContact O-CG2 3.4Å; P567-I592 HydrophobicContact CB-CG1 4.42Å; P567-I592 HydrophobicContact CG-CG1 4.14Å; P567-I592 HydrophobicContact CG-CG2 4.37Å; Q590-I592 HydrophobicContact CG-CD1 3.73Å; I592-N594 PolarHBondContact O-N 2.91Å
593	K	88.4	Confident	77	Confident	59 Å²	59	80 Å²	80	26%	0.257	38%	0.38	S	S	.	.	S	Bend	trans	-56.2	-51.1	-172	-169.6	-173.2	-173.7	-176.3	0	112.7	E502 R565 D591	E502-K593 IonicContact OE1-NZ 3.87Å; E502-K593 PolarHBondContact OE1-NZ 3.42Å; R565-K593 PolarHBondContact NH2-O 2.93Å; D591-K593 PolarHBondContact OD1-N 2.67Å
594	N	85.8	Confident	76.6	Confident	89 Å²	89	76.4 Å²	76.4	48%	0.476	35%	0.352	S	S	.	.	S	Bend	trans	-109.6	-35.4	-174	-29.4	-84.2	0	0	0	112	D591 I592	D591-N594 PolarHBondContact OD1-N 3.27Å; D591-N594 PolarHBondContact OD1-ND2 3.12Å; D591-N594 WeakPolarHBondContact OD2-CB 3.35Å; D591-N594 PolarHBondContact OD2-ND2 2.66Å; I592-N594 PolarHBondContact O-N 2.91Å
595	G	86.2	Confident	76	Confident	1 Å²	1	75.5 Å²	75.5	1%	0.01	35%	0.351	C	S	.	.			trans	71.9	35.5	-177.8	0	0	0	0	0	114.3	D591 P597	D591-G595 WeakPolarHBondContact O-CA 3.45Å; D591-G595 PolarHBondContact O-N 2.54Å; D591-G595 PolarHBondContact OD1-N 3.17Å; D591-G595 PolarHBondContact OD2-N 2.98Å; G595-P597 WeakPolarHBondContact O-CD 3.31Å
596	D	83.8	Confident	75.1	Confident	57 Å²	57	74.2 Å²	74.2	31%	0.305	36%	0.358	S	S	.	.			trans	-99	110.6	-174.2	-173.2	1.4	0	0	0	113.6	D591 A598 I599 Q600	D591-D596 PolarHBondContact OD2-N 3.37Å; D596-A598 VanDerWaalsContact C-N 3.3Å; D596-A598 PolarHBondContact O-N 3.05Å; D596-A598 WeakPolarHBondContact OD1-CB 3.2Å; D596-A598 PolarHBondContact OD1-N 3.09Å; D596-I599 HydrophobicContact CB-CD1 4.43Å; D596-I599 WeakPolarHBondContact OD2-CD1 3.29Å; D596-Q600 WeakPolarHBondContact O-CG 3.45Å
597	P	84	Confident	74.3	Confident	1 Å²	1	65 Å²	65	1%	0.006	33%	0.333	C	S	.	.	H	α-helix	trans	-61	-29.8	172.1	-26.6	37.8	0	0	0	115.1	A559 L563 G595 I599 Q600 C601 F690	A559-P597 HydrophobicContact CB-CB 3.63Å; A559-P597 HydrophobicContact CB-CG 3.82Å; L563-P597 HydrophobicContact CD1-CG 3.91Å; L563-P597 HydrophobicContact CD2-CG 4.1Å; L563-P597 HydrophobicContact CG-CG 3.64Å; G595-P597 WeakPolarHBondContact O-CD 3.31Å; P597-I599 VanDerWaalsContact C-N 3.3Å; P597-I599 PolarHBondContact O-N 2.88Å; P597-Q600 PolarHBondContact O-N 2.89Å; P597-C601 WeakPolarHBondContact O-CA 3.48Å; P597-C601 VanDerWaalsContact O-CB 3.28Å; P597-C601 WeakPolarHBondContact O-CB 3.47Å; P597-C601 PolarHBondContact O-N 3.14Å; P597-F690 HydrophobicContact CB-CD2 3.92Å; P597-F690 HydrophobicContact CB-CE2 3.78Å; P597-F690 HydrophobicContact CB-CZ 4.43Å; P597-F690 HydrophobicContact CG-CD2 3.82Å; P597-F690 HydrophobicContact CG-CE2 3.96Å; P597-F690 HydrophobicContact CG-CG 4.12Å; P597-F690 HydrophobicContact CG-CZ 4.35Å
598	A	81.1	Confident	73.1	Confident	67 Å²	67	70.5 Å²	70.5	55%	0.554	35%	0.351	S	S	*	.	H	α-helix	trans	-68.1	-31.7	-171.3	0	0	0	0	0	112.4	D596	D596-A598 VanDerWaalsContact C-N 3.3Å; D596-A598 PolarHBondContact O-N 3.05Å; D596-A598 WeakPolarHBondContact OD1-CB 3.2Å; D596-A598 PolarHBondContact OD1-N 3.09Å
599	I	78.8	Confident	71.2	Confident	107 Å²	107	70.2 Å²	70.2	55%	0.549	38%	0.375	S	S	.	.	H	α-helix	trans	-81.9	-31.7	176.9	-61.1	172	0	0	0	111.3	D596 P597	D596-I599 HydrophobicContact CB-CD1 4.43Å; D596-I599 WeakPolarHBondContact OD2-CD1 3.29Å; P597-I599 VanDerWaalsContact C-N 3.3Å; P597-I599 PolarHBondContact O-N 2.88Å
600	Q	80.9	Confident	68.8	Low	48 Å²	48	71.1 Å²	71.1	22%	0.224	40%	0.398	C	S	.	.	H	α-helix	trans	-92.4	-42.3	-171.6	-65.8	-65.7	-22.8	0	0	113.4	R589 D591 D596 P597 W602	R589-Q600 HydrophobicContact CB-CB 4.3Å; R589-Q600 WeakPolarHBondContact CD-O 3.35Å; R589-Q600 WeakPolarHBondContact CG-O 3.29Å; R589-Q600 PolarHBondContact NE-O 2.77Å; D591-Q600 HydrophobicContact CB-CG 3.93Å; D596-Q600 WeakPolarHBondContact O-CG 3.45Å; P597-Q600 PolarHBondContact O-N 2.89Å; Q600-W602 VanDerWaalsContact O-CD1 3.32Å
601	C	81.8	Confident	66.9	Low	2 Å²	2	72.4 Å²	72.4	1%	0.014	42%	0.417	C	S	.	.			trans	-109	73.9	-164.7	-61.1	0	0	0	0	112.3	C558 P597 D603 T604	C558-C601 HydrophobicContact CB-CB 3.78Å; C558-C601 WeakPolarHBondContact CB-SG 3.22Å; C558-C601 PolarHBondContact O-SG 3.22Å; C558-C601 VanDerWaalsContact O-SG 3.41Å; C558-C601 WeakPolarHBondContact SG-CB 3.33Å; C558-C601 CovalentContact SG-SG 2.04Å; C558-C601 PolarHBondContact SG-SG 2.84Å; P597-C601 WeakPolarHBondContact O-CA 3.48Å; P597-C601 VanDerWaalsContact O-CB 3.28Å; P597-C601 WeakPolarHBondContact O-CB 3.47Å; P597-C601 PolarHBondContact O-N 3.14Å; C601-D603 PolarHBondContact O-N 2.65Å; C601-T604 HydrophobicContact CB-CG2 4.23Å; C601-T604 WeakPolarHBondContact O-CG2 3.31Å; C601-T604 PolarHBondContact O-N 2.98Å; C601-T604 VanDerWaalsContact O-N 3.16Å; C601-T604 PolarHBondContact O-OG1 2.93Å; C601-T604 VanDerWaalsContact O-OG1 3.12Å
602	W	68.3	Low	65.4	Low	204 Å²	204	80.4 Å²	80.4	77%	0.773	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-48	-20.9	177.1	-55.3	83.7	0	0	0	116	Q600 T604	Q600-W602 VanDerWaalsContact O-CD1 3.32Å; W602-T604 PolarHBondContact O-N 3.41Å
603	D	60.7	Low	64.6	Low	85 Å²	85	83 Å²	83	46%	0.455	48%	0.475	S	S	.	.	G	3₁₀ helix	trans	-81.6	7.6	-177.7	-37.2	-62	0	0	0	113.6	R589 C601 S607	R589-D603 IonicContact CZ-OD2 2.67Å; R589-D603 IonicContact NH1-OD2 3.37Å; R589-D603 PolarHBondContact NH1-OD2 2.89Å; R589-D603 IonicContact NH2-OD1 3.53Å; R589-D603 IonicContact NH2-OD2 3.65Å; R589-D603 PolarHBondContact NH2-OD2 3.38Å; C601-D603 PolarHBondContact O-N 2.65Å; D603-S607 WeakPolarHBondContact O-CB 3.42Å; D603-S607 PolarHBondContact O-N 2.89Å; D603-S607 PolarHBondContact O-OG 2.9Å
604	T	53.2	Low	64.3	Low	46 Å²	46	84.8 Å²	84.8	28%	0.282	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-73.9	-24.7	-177	43.6	0	0	0	0	115.1	C601 W602 H608	C601-T604 HydrophobicContact CB-CG2 4.23Å; C601-T604 WeakPolarHBondContact O-CG2 3.31Å; C601-T604 PolarHBondContact O-N 2.98Å; C601-T604 VanDerWaalsContact O-N 3.16Å; C601-T604 PolarHBondContact O-OG1 2.93Å; C601-T604 VanDerWaalsContact O-OG1 3.12Å; W602-T604 PolarHBondContact O-N 3.41Å; T604-H608 PolarHBondContact O-ND1 2.89Å
605	E	44.8	Very low	64.5	Low	162 Å²	162	86.2 Å²	86.2	76%	0.757	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-55.3	179.7	-62.5	-161.3	142.2	0	0	110.9	S607 H608	E605-S607 PolarHBondContact O-N 3.31Å; E605-S607 VanDerWaalsContact O-N 3.14Å; E605-H608 WeakPolarHBondContact O-CB 2.97Å; E605-H608 PolarHBondContact O-N 3.08Å; E605-H608 VanDerWaalsContact O-N 3.16Å; E605-H608 PolarHBondContact O-ND1 2.83Å
606	D	39.4	Very low	64.8	Low	153 Å²	153	90.6 Å²	90.6	82%	0.818	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-60.9	-24.1	175.6	-73.8	-31.9	0	0	0	113.6	H608	D606-H608 PolarHBondContact O-N 3.25Å; D606-H608 VanDerWaalsContact O-N 3.11Å
607	S	42.2	Very low	65.2	Low	66 Å²	66	91.6 Å²	91.6	46%	0.462	51%	0.512	S	S	.	.	G	3₁₀ helix	trans	-65.6	-10.5	177.4	-69.3	0	0	0	0	114.4	D603 E605 G609 G610	D603-S607 WeakPolarHBondContact O-CB 3.42Å; D603-S607 PolarHBondContact O-N 2.89Å; D603-S607 PolarHBondContact O-OG 2.9Å; E605-S607 PolarHBondContact O-N 3.31Å; E605-S607 VanDerWaalsContact O-N 3.14Å; S607-G609 PolarHBondContact O-N 2.9Å; S607-G610 PolarHBondContact O-N 2.91Å
608	H	39.8	Very low	65.6	Low	176 Å²	176	94.3 Å²	94.3	82%	0.815	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-60.9	-14.2	176.5	-79.9	72.7	0	0	0	114.6	T604 E605 D606	T604-H608 PolarHBondContact O-ND1 2.89Å; E605-H608 WeakPolarHBondContact O-CB 2.97Å; E605-H608 PolarHBondContact O-N 3.08Å; E605-H608 VanDerWaalsContact O-N 3.16Å; E605-H608 PolarHBondContact O-ND1 2.83Å; D606-H608 PolarHBondContact O-N 3.25Å; D606-H608 VanDerWaalsContact O-N 3.11Å
609	G	37.9	Very low	66.1	Low	80 Å²	80	97 Å²	97	83%	0.825	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.3	6	167.2	0	0	0	0	0	115.1	S607	S607-G609 PolarHBondContact O-N 2.9Å
610	G	38.8	Very low	66.7	Low	61 Å²	61	92 Å²	92	63%	0.629	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.7	-25.8	-167.7	0	0	0	0	0	116.1	S607	S607-G610 PolarHBondContact O-N 2.91Å
611	G	49.1	Very low	67.1	Low	48 Å²	48	91.5 Å²	91.5	50%	0.495	50%	0.501	S	S	.	.	S	Bend	trans	-78.6	135.1	172.3	0	0	0	0	0	111.1	V613	G611-V613 PolarHBondContact O-N 3.19Å
612	N	57.7	Low	67.6	Low	177 Å²	177	94.3 Å²	94.3	95%	0.947	51%	0.514	S	S	*	.			trans	-68.6	76.2	168	-86.7	-21.3	0	0	0	110.1	E614	N612-E614 PolarHBondContact O-N 2.99Å
613	V	74	Confident	68.6	Low	55 Å²	55	89.4 Å²	89.4	33%	0.333	50%	0.502	S	S	.	.			trans	-53.8	128.3	161.7	176.7	0	0	0	0	106.9	G611 E615 T693 R696	G611-V613 PolarHBondContact O-N 3.19Å; V613-E615 PolarHBondContact O-N 3.04Å; V613-T693 HydrophobicContact CG1-CG2 3.69Å; V613-R696 HydrophobicContact CG1-CB 4.12Å
614	E	82.9	Confident	70	Confident	96 Å²	96	89.7 Å²	89.7	45%	0.449	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	128.5	-175.7	-168	-176.5	174.7	0	0	109.5	N612 R616 L695 R696	N612-E614 PolarHBondContact O-N 2.99Å; E614-R616 VanDerWaalsContact CD-NE 3.31Å; E614-R616 HydrophobicContact CG-CG 4.43Å; E614-R616 IonicContact OE1-CZ 3.89Å; E614-R616 IonicContact OE1-NE 2.76Å; E614-R616 PolarHBondContact OE1-NE 2.86Å; E614-R616 IonicContact OE1-NH2 3.6Å; E614-R616 PolarHBondContact OE1-NH2 2.94Å; E614-R616 IonicContact OE2-CZ 2.75Å; E614-R616 IonicContact OE2-NE 2.85Å; E614-R616 IonicContact OE2-NH2 2.74Å; E614-R616 PolarHBondContact OE2-NH2 2.83Å; E614-L695 HydrophobicContact CB-CD1 3.92Å; E614-L695 HydrophobicContact CG-CD1 4.11Å; E614-L695 WeakPolarHBondContact O-CD1 3.43Å; E614-R696 PolarHBondContact O-N 2.83Å
615	E	89.1	Confident	71.9	Confident	118 Å²	118	91.2 Å²	91.2	55%	0.551	52%	0.517	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.2	120.8	177.6	-64.9	-154.3	-163.2	0	0	110.4	V613 R696	V613-E615 PolarHBondContact O-N 3.04Å; E615-R696 WeakPolarHBondContact CA-O 3.46Å; E615-R696 IonicContact OE1-CZ 2.66Å; E615-R696 IonicContact OE1-NE 2.97Å; E615-R696 IonicContact OE1-NH1 2.98Å; E615-R696 PolarHBondContact OE1-NH1 3.01Å; E615-R696 IonicContact OE1-NH2 2.82Å; E615-R696 PolarHBondContact OE1-NH2 2.85Å; E615-R696 IonicContact OE2-CZ 3.7Å; E615-R696 IonicContact OE2-NE 3.15Å; E615-R696 IonicContact OE2-NH1 2.65Å; E615-R696 IonicContact OE2-NH2 3.84Å; E615-R696 PolarHBondContact OE2-NH2 3.03Å
616	R	91.8	Very high	74.3	Confident	94 Å²	94	84.5 Å²	84.5	36%	0.355	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	141.2	175.4	-67.7	-174	-170.3	168.5	9.5	110.5	E614 L695 R696 L697 T698	E614-R616 VanDerWaalsContact CD-NE 3.31Å; E614-R616 HydrophobicContact CG-CG 4.43Å; E614-R616 IonicContact OE1-CZ 3.89Å; E614-R616 IonicContact OE1-NE 2.76Å; E614-R616 PolarHBondContact OE1-NE 2.86Å; E614-R616 IonicContact OE1-NH2 3.6Å; E614-R616 PolarHBondContact OE1-NH2 2.94Å; E614-R616 IonicContact OE2-CZ 2.75Å; E614-R616 IonicContact OE2-NE 2.85Å; E614-R616 IonicContact OE2-NH2 2.74Å; E614-R616 PolarHBondContact OE2-NH2 2.83Å; R616-L695 HydrophobicContact CB-CD1 4.2Å; R616-L695 HydrophobicContact CG-CD1 3.81Å; R616-R696 PolarHBondContact N-O 2.77Å; R616-L697 HydrophobicContact CB-CD2 3.6Å; R616-L697 HydrophobicContact CB-CG 4.3Å; R616-L697 CarbonylContact O-C 3.57Å; R616-L697 WeakPolarHBondContact O-CA 3.42Å; R616-T698 PolarHBondContact O-N 3.04Å
617	V	92.3	Very high	76.9	Confident	77 Å²	77	80.8 Å²	80.8	47%	0.467	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	126.5	168.5	-175.2	0	0	0	0	108	F619 T698 Q700	V617-F619 HydrophobicContact CG1-CE2 3.9Å; V617-F619 HydrophobicContact CG1-CZ 4Å; V617-T698 WeakPolarHBondContact CA-O 3.32Å; V617-Q700 HydrophobicContact CG1-CG 4.17Å
618	L	93.2	Very high	79.4	Confident	59 Å²	59	77.6 Å²	77.6	31%	0.309	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	139.9	173.1	-70.7	-177.6	0	0	0	110.3	L628 L697 T698 L699 Q700	L618-L628 HydrophobicContact CD1-CD2 3.76Å; L618-L697 HydrophobicContact CB-CD2 4.47Å; L618-L697 HydrophobicContact CD1-CD2 3.56Å; L618-L697 HydrophobicContact CG-CD2 3.63Å; L618-T698 PolarHBondContact N-O 3.16Å; L618-L699 HydrophobicContact CB-CD1 4.22Å; L618-Q700 PolarHBondContact O-N 2.84Å
619	F	91.9	Very high	81.9	Confident	124 Å²	124	72.2 Å²	72.2	54%	0.544	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	110.5	175.5	-66.1	-86.8	0	0	0	108.8	V617 Q700 L702	V617-F619 HydrophobicContact CG1-CE2 3.9Å; V617-F619 HydrophobicContact CG1-CZ 4Å; F619-Q700 WeakPolarHBondContact CA-O 3.34Å; F619-Q700 HydrophobicContact CD1-CB 3.94Å; F619-Q700 HydrophobicContact CE1-CB 4.05Å; F619-Q700 HydrophobicContact CE1-CG 4.47Å; F619-Q700 VanDerWaalsContact CE1-OE1 3.23Å; F619-L702 HydrophobicContact CB-CD1 3.89Å; F619-L702 HydrophobicContact CB-CG 4.15Å; F619-L702 HydrophobicContact CD1-CD1 4.43Å; F619-L702 HydrophobicContact CD1-CD2 4.06Å; F619-L702 HydrophobicContact CD1-CG 4.17Å; F619-L702 HydrophobicContact CG-CD1 4.5Å
620	G	90.1	Very high	84.4	Confident	1 Å²	1	68.7 Å²	68.7	1%	0.01	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	136.4	176.4	0	0	0	0	0	110.9	L672 Q700 L701 L702	G620-L672 VanDerWaalsContact C-CD2 3.49Å; G620-L672 VanDerWaalsContact CA-CD2 3.45Å; G620-Q700 PolarHBondContact N-O 2.9Å; G620-L701 WeakPolarHBondContact O-CA 3.27Å; G620-L702 PolarHBondContact O-N 3.1Å
621	V	90.9	Very high	86.6	Confident	38 Å²	38	70.2 Å²	70.2	23%	0.23	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	135.5	177.1	-179.8	0	0	0	0	109.5	N624 L702	V621-N624 HydrophobicContact CB-CB 4.28Å; V621-N624 PolarHBondContact O-N 3.32Å; V621-L702 HydrophobicContact CG2-CB 4.41Å
622	Q	90.5	Very high	88.2	Confident	61 Å²	61	68.9 Å²	68.9	29%	0.285	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	139.3	178.9	-170.6	177.8	-1.2	0	0	112.3	N624 L701 L702	Q622-N624 PolarHBondContact O-N 3.44Å; Q622-L701 HydrophobicContact CB-CD1 3.92Å; Q622-L701 HydrophobicContact CB-CD2 4.28Å; Q622-L701 HydrophobicContact CB-CG 4.27Å; Q622-L701 HydrophobicContact CG-CD1 4.38Å; Q622-L701 HydrophobicContact CG-CD2 4.34Å; Q622-L702 PolarHBondContact N-O 3.02Å
623	N	89.5	Confident	89.2	Confident	100 Å²	100	66.4 Å²	66.4	54%	0.535	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	-5.6	-176.7	-53.7	-18	0	0	0	116.2	L672	N623-L672 PolarHBondContact N-O 3.3Å
624	N	91.8	Very high	89.5	Confident	91 Å²	91	64 Å²	64	49%	0.487	32%	0.321	S	S	.	.	S	Bend	trans	-83.9	167.8	169	-80	-18.8	0	0	0	111.2	V621 Q622 L672	V621-N624 HydrophobicContact CB-CB 4.28Å; V621-N624 PolarHBondContact O-N 3.32Å; Q622-N624 PolarHBondContact O-N 3.44Å; N624-L672 WeakPolarHBondContact O-CB 3.29Å; N624-L672 PolarHBondContact O-N 3Å
625	S	92.6	Very high	89.5	Confident	79 Å²	79	64.8 Å²	64.8	55%	0.552	32%	0.324	S	S	*	.			trans	-76.1	154.7	167.7	57.9	0	0	0	0	111.8	I669 R670	S625-I669 CarbonylContact C-O 3.45Å; S625-I669 WeakPolarHBondContact CA-O 3.38Å; S625-R670 WeakPolarHBondContact CA-O 3.37Å; S625-R670 WeakPolarHBondContact CB-O 3.11Å; S625-R670 PolarHBondContact N-O 2.9Å
626	T	94.1	Very high	89.2	Confident	20 Å²	20	62 Å²	62	12%	0.123	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	135.4	176.4	-68	0	0	0	0	109	L628 I669 L699	T626-L628 HydrophobicContact CG2-CD2 4.21Å; T626-I669 PolarHBondContact N-O 3.12Å; T626-I669 PolarHBondContact O-N 3.28Å; T626-L699 HydrophobicContact CG2-CD1 4.02Å
627	F	94.4	Very high	88.8	Confident	75 Å²	75	58.3 Å²	58.3	33%	0.329	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	124.4	-179.6	-176	-116.6	0	0	0	110.6	E629 T663 R665 L667 L668	F627-E629 HydrophobicContact CD1-CB 4.06Å; F627-E629 HydrophobicContact CE1-CB 3.7Å; F627-E629 HydrophobicContact CE1-CG 4.17Å; F627-T663 HydrophobicContact CE2-CG2 4.5Å; F627-R665 HydrophobicContact CE1-CB 4.36Å; F627-R665 HydrophobicContact CZ-CB 3.84Å; F627-R665 WeakPolarHBondContact CZ-O 3.49Å; F627-L667 WeakPolarHBondContact CD2-O 3.34Å; F627-L668 HydrophobicContact CB-CD1 4.32Å; F627-L668 HydrophobicContact CD2-CB 4Å; F627-L668 HydrophobicContact CD2-CD1 4.34Å
628	L	94.3	Very high	88.5	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	92.3	175.2	-53.6	-173	0	0	0	107.8	L618 T626 W641 G666 L667 I669 Y680 L697 L699	L618-L628 HydrophobicContact CD1-CD2 3.76Å; T626-L628 HydrophobicContact CG2-CD2 4.21Å; L628-W641 HydrophobicContact CB-CH2 3.77Å; L628-W641 HydrophobicContact CB-CZ2 4.35Å; L628-W641 HydrophobicContact CB-CZ3 4.16Å; L628-W641 HydrophobicContact CD1-CZ3 4.45Å; L628-W641 WeakPolarHBondContact O-CH2 3.37Å; L628-W641 VanDerWaalsContact O-CZ2 3.25Å; L628-W641 WeakPolarHBondContact O-CZ2 3.32Å; L628-G666 WeakPolarHBondContact O-CA 3.18Å; L628-L667 HydrophobicContact CB-CB 4.2Å; L628-L667 HydrophobicContact CD1-CD2 4.19Å; L628-L667 PolarHBondContact N-O 3.34Å; L628-L667 PolarHBondContact O-N 3Å; L628-I669 HydrophobicContact CD1-CD1 4.42Å; L628-Y680 HydrophobicContact CD1-CD1 3.68Å; L628-Y680 HydrophobicContact CD1-CD2 3.77Å; L628-Y680 HydrophobicContact CD1-CE1 3.95Å; L628-Y680 HydrophobicContact CD1-CE2 4.04Å; L628-Y680 HydrophobicContact CD1-CG 3.58Å; L628-L697 HydrophobicContact CB-CD1 4.05Å; L628-L699 HydrophobicContact CD2-CD1 4.4Å; L628-L699 HydrophobicContact CD2-CD2 4.25Å
629	E	92.7	Very high	88.3	Confident	63 Å²	63	58.8 Å²	58.8	29%	0.294	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	130.2	-180	-178.5	163.9	-119.2	0	0	111.5	F627 I631 R665 L695	F627-E629 HydrophobicContact CD1-CB 4.06Å; F627-E629 HydrophobicContact CE1-CB 3.7Å; F627-E629 HydrophobicContact CE1-CG 4.17Å; E629-I631 HydrophobicContact CG-CD1 4.27Å; E629-I631 HydrophobicContact CG-CG1 4.17Å; E629-R665 WeakPolarHBondContact CA-O 3.39Å; E629-R665 IonicContact OE1-CZ 2.82Å; E629-R665 IonicContact OE1-NE 2.74Å; E629-R665 PolarHBondContact OE1-NE 3.36Å; E629-R665 IonicContact OE1-NH2 2.75Å; E629-R665 PolarHBondContact OE1-NH2 3.39Å; E629-L695 WeakPolarHBondContact O-CD2 3.45Å
630	C	90.9	Very high	88.2	Confident	6 Å²	6	56.5 Å²	56.5	4%	0.041	29%	0.285	C	S	.	.			trans	-150	123.3	165.3	-174.4	0	0	0	0	108.9	W641 R665 C682 L695	C630-W641 HydrophobicContact CB-CH2 3.67Å; C630-W641 HydrophobicContact CB-CZ2 3.4Å; C630-R665 CarbonylContact C-O 3.58Å; C630-R665 PolarHBondContact N-O 3.29Å; C630-R665 CarbonylContact O-C 3.55Å; C630-C682 HydrophobicContact CB-CB 3.66Å; C630-C682 WeakPolarHBondContact CB-SG 3.35Å; C630-C682 WeakPolarHBondContact SG-CB 3.17Å; C630-C682 CovalentContact SG-SG 2.03Å; C630-C682 PolarHBondContact SG-SG 3.07Å; C630-L695 HydrophobicContact CB-CD2 4.15Å
631	I	85.5	Confident	88.3	Confident	92 Å²	92	56.9 Å²	56.9	47%	0.472	29%	0.286	S	S	.	.			trans	-125.5	120.6	-177.3	-55.8	176.9	0	0	0	107.4	E629 R665	E629-I631 HydrophobicContact CG-CD1 4.27Å; E629-I631 HydrophobicContact CG-CG1 4.17Å; I631-R665 HydrophobicContact CD1-CB 4.3Å; I631-R665 HydrophobicContact CD1-CG 3.86Å; I631-R665 HydrophobicContact CG1-CB 4.14Å; I631-R665 HydrophobicContact CG1-CG 4.06Å
632	P	82.8	Confident	88.4	Confident	20 Å²	20	57.9 Å²	57.9	13%	0.13	29%	0.286	C	S	.	.			trans	-70.1	146.9	175.5	28.7	-32.2	0	0	0	110.8	T634 A637 I639 L694	P632-T634 WeakPolarHBondContact CB-O 3.31Å; P632-T634 WeakPolarHBondContact CG-O 3.34Å; P632-T634 PolarHBondContact O-N 3.13Å; P632-A637 HydrophobicContact CB-CB 4.05Å; P632-I639 HydrophobicContact CB-CD1 3.94Å; P632-I639 HydrophobicContact CG-CD1 3.96Å; P632-I639 HydrophobicContact CG-CG1 4.07Å; P632-L694 HydrophobicContact CB-CD1 4.17Å
633	K	77.3	Confident	88.5	Confident	126 Å²	126	55.9 Å²	55.9	55%	0.548	28%	0.277	S	S	.	.	S	Bend	trans	-62.4	-31.5	171.1	-63.1	177.7	-171.4	167.5	0	112.1	E560	E560-K633 IonicContact OE1-NZ 3.07Å; E560-K633 PolarHBondContact OE1-NZ 2.8Å
634	T	80.4	Confident	88.7	Confident	5 Å²	5	53.3 Å²	53.3	3%	0.031	26%	0.261	C	S	.	.	S	Bend	trans	-103.8	142.7	-179.9	177.1	0	0	0	0	112.6	R63 P632 Q636 A637 E686	R63-T634 WeakPolarHBondContact CG-OG1 3.23Å; R63-T634 CarbonylContact O-C 3.55Å; R63-T634 WeakPolarHBondContact O-CA 3.42Å; R63-T634 WeakPolarHBondContact O-CB 3.5Å; R63-T634 PolarHBondContact O-OG1 2.98Å; P632-T634 WeakPolarHBondContact CB-O 3.31Å; P632-T634 WeakPolarHBondContact CG-O 3.34Å; P632-T634 PolarHBondContact O-N 3.13Å; T634-Q636 PolarHBondContact O-N 2.96Å; T634-Q636 PolarHBondContact OG1-N 3.42Å; T634-Q636 VanDerWaalsContact OG1-N 3.08Å; T634-A637 HydrophobicContact CG2-CB 3.63Å; T634-E686 HydrophobicContact CG2-CG 4.25Å; T634-E686 VanDerWaalsContact CG2-OE1 3.31Å; T634-E686 WeakPolarHBondContact CG2-OE1 3.48Å
635	Q	82.4	Confident	88.4	Confident	111 Å²	111	53.3 Å²	53.3	52%	0.519	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-4.9	172.7	-51.4	-67.1	-69	0	0	113	V61 P62 R63	V61-Q635 HydrophobicContact CG1-CB 3.59Å; V61-Q635 HydrophobicContact CG1-CG 4.46Å; P62-Q635 WeakPolarHBondContact O-CB 3.24Å; R63-Q635 PolarHBondContact O-N 2.93Å; R63-Q635 VanDerWaalsContact O-N 3.13Å
636	Q	83.3	Confident	87.8	Confident	60 Å²	60	57.2 Å²	57.2	28%	0.28	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-11.8	179.3	-67.8	173.1	-10.3	0	0	113.1	V61 R63 T634	V61-Q636 PolarHBondContact O-NE2 3.11Å; R63-Q636 HydrophobicContact CB-CG 4.47Å; T634-Q636 PolarHBondContact O-N 2.96Å; T634-Q636 PolarHBondContact OG1-N 3.42Å; T634-Q636 VanDerWaalsContact OG1-N 3.08Å
637	A	84.4	Confident	86.9	Confident	16 Å²	16	60.6 Å²	60.6	13%	0.132	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-80.5	135	177.6	0	0	0	0	0	112.1	P632 T634 A684 Q685 E686	P632-A637 HydrophobicContact CB-CB 4.05Å; T634-A637 HydrophobicContact CG2-CB 3.63Å; A637-A684 HydrophobicContact CB-CB 4.04Å; A637-Q685 CarbonylContact C-O 3.59Å; A637-Q685 WeakPolarHBondContact CA-O 3.38Å; A637-E686 HydrophobicContact CB-CG 3.65Å
638	Q	86.1	Confident	86.3	Confident	125 Å²	125	59 Å²	59	58%	0.584	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.1	123.7	164.5	-174.2	173.8	5.2	0	0	109.6	Q685	Q638-Q685 PolarHBondContact N-O 2.83Å; Q638-Q685 PolarHBondContact O-N 2.82Å
639	I	88.1	Confident	85.6	Confident	22 Å²	22	67.9 Å²	67.9	11%	0.113	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	136.8	172.5	-62.3	-54.4	0	0	0	110.5	P632 A684 L694	P632-I639 HydrophobicContact CB-CD1 3.94Å; P632-I639 HydrophobicContact CG-CD1 3.96Å; P632-I639 HydrophobicContact CG-CG1 4.07Å; I639-A684 HydrophobicContact CD1-CB 4.09Å; I639-L694 HydrophobicContact CD1-CD1 3.73Å
640	R	90.1	Very high	85.2	Confident	76 Å²	76	74 Å²	74	29%	0.287	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	149.1	164.4	-63.9	-178.3	-175.9	-109.6	4.7	109.5	Y642 E653 V683	R640-Y642 HydrophobicContact CB-CE2 3.9Å; R640-Y642 WeakPolarHBondContact CD-OH 3.34Å; R640-E653 IonicContact CZ-OE1 3.32Å; R640-E653 IonicContact NH1-OE1 3.64Å; R640-E653 PolarHBondContact NH1-OE1 2.94Å; R640-V683 PolarHBondContact N-O 3.07Å; R640-V683 PolarHBondContact O-N 3.45Å
641	W	92.8	Very high	85.1	Confident	8 Å²	8	79.9 Å²	79.9	3%	0.03	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	131.6	176	-73.4	90.4	0	0	0	110.3	L628 C630 V654 H662 L667 Y680 F681 C682 L697	L628-W641 HydrophobicContact CB-CH2 3.77Å; L628-W641 HydrophobicContact CB-CZ2 4.35Å; L628-W641 HydrophobicContact CB-CZ3 4.16Å; L628-W641 HydrophobicContact CD1-CZ3 4.45Å; L628-W641 WeakPolarHBondContact O-CH2 3.37Å; L628-W641 VanDerWaalsContact O-CZ2 3.25Å; L628-W641 WeakPolarHBondContact O-CZ2 3.32Å; C630-W641 HydrophobicContact CB-CH2 3.67Å; C630-W641 HydrophobicContact CB-CZ2 3.4Å; W641-V654 HydrophobicContact CB-CB 3.96Å; W641-V654 HydrophobicContact CB-CG2 3.79Å; W641-V654 PolarHBondContact O-N 2.94Å; W641-H662 AromaticContact CD1-CD2 3.83Å; W641-H662 AromaticContact CD1-NE2 3.95Å; W641-L667 HydrophobicContact CD2-CB 4.19Å; W641-L667 HydrophobicContact CG-CB 4.42Å; W641-L667 HydrophobicContact CZ2-CB 4.22Å; W641-Y680 HydrophobicContact CE3-CD1 4.43Å; W641-F681 WeakPolarHBondContact CA-O 3.08Å; W641-C682 HydrophobicContact CD2-CB 4.44Å; W641-C682 HydrophobicContact CE3-CB 4.16Å; W641-C682 HydrophobicContact CH2-CB 3.96Å; W641-C682 HydrophobicContact CZ2-CB 4.22Å; W641-C682 HydrophobicContact CZ3-CB 3.91Å; W641-L697 HydrophobicContact CH2-CD1 3.83Å; W641-L697 HydrophobicContact CZ3-CD1 4Å
642	Y	93.1	Very high	85.3	Confident	60 Å²	60	79.7 Å²	79.7	24%	0.235	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	143.9	170.6	-59.3	-92.4	0	0	0	109.9	R640 E652 E653 Y680 F681 V683	R640-Y642 HydrophobicContact CB-CE2 3.9Å; R640-Y642 WeakPolarHBondContact CD-OH 3.34Å; Y642-E652 CarbonylContact C-O 3.48Å; Y642-E652 VanDerWaalsContact CA-O 3.25Å; Y642-E652 WeakPolarHBondContact CA-O 3.38Å; Y642-E653 HydrophobicContact CD1-CB 3.91Å; Y642-E653 HydrophobicContact CD1-CG 4.3Å; Y642-E653 HydrophobicContact CE1-CB 3.77Å; Y642-E653 HydrophobicContact CE1-CG 3.95Å; Y642-Y680 CarbonylContact O-C 3.53Å; Y642-Y680 WeakPolarHBondContact O-CA 3.44Å; Y642-F681 PolarHBondContact N-O 3.48Å; Y642-F681 PolarHBondContact O-N 2.91Å; Y642-V683 HydrophobicContact CD2-CB 4.19Å; Y642-V683 HydrophobicContact CD2-CG2 3.69Å; Y642-V683 HydrophobicContact CE2-CB 3.98Å; Y642-V683 HydrophobicContact CE2-CG1 4.42Å; Y642-V683 HydrophobicContact CE2-CG2 3.89Å
643	M	92.3	Very high	85.7	Confident	18 Å²	18	83.3 Å²	83.3	9%	0.089	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	136.8	175.6	-171	-165.7	179.7	0	0	110.3	K645 E652 V654 D676 A677 Y680	M643-K645 HydrophobicContact CE-CG 3.92Å; M643-K645 HydrophobicContact SD-CG 4.14Å; M643-E652 PolarHBondContact N-O 2.8Å; M643-E652 PolarHBondContact O-N 2.82Å; M643-V654 HydrophobicContact CB-CG2 4.01Å; M643-D676 VanDerWaalsContact CE-C 3.41Å; M643-D676 WeakPolarHBondContact CE-O 3.48Å; M643-A677 WeakPolarHBondContact CE-O 3.42Å; M643-Y680 HydrophobicContact CB-CD1 4.23Å; M643-Y680 HydrophobicContact CB-CE1 4.07Å; M643-Y680 HydrophobicContact CE-CE2 4.21Å; M643-Y680 HydrophobicContact CG-CD1 4.32Å; M643-Y680 HydrophobicContact CG-CE1 3.96Å; M643-Y680 HydrophobicContact CG-CE2 4.2Å; M643-Y680 HydrophobicContact SD-CE1 4.33Å
644	Q	92.3	Very high	86.4	Confident	46 Å²	46	78.7 Å²	78.7	22%	0.215	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	112.1	167.4	-171.9	172.3	-8.9	0	0	108.4	S648 R651 G678 V679 F681	Q644-S648 WeakPolarHBondContact CG-O 3.16Å; Q644-S648 PolarHBondContact NE2-O 3.17Å; Q644-R651 HydrophobicContact CB-CG 4.29Å; Q644-G678 WeakPolarHBondContact O-CA 3.45Å; Q644-V679 HydrophobicContact CB-CB 4.48Å; Q644-V679 PolarHBondContact N-O 2.79Å; Q644-V679 PolarHBondContact O-N 3.26Å; Q644-F681 HydrophobicContact CB-CE2 3.81Å
645	K	86.7	Confident	86.9	Confident	92 Å²	92	87.2 Å²	87.2	40%	0.4	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	151	179.6	-70.7	159.5	-177.8	155.6	0	110.5	M643 G647 S648 E652	M643-K645 HydrophobicContact CE-CG 3.92Å; M643-K645 HydrophobicContact SD-CG 4.14Å; K645-G647 PolarHBondContact O-N 3.43Å; K645-S648 WeakPolarHBondContact O-CB 3.46Å; K645-S648 PolarHBondContact O-N 3.1Å; K645-E652 IonicContact NZ-OE2 2.9Å; K645-E652 PolarHBondContact NZ-OE2 3.42Å
646	L	79.9	Confident	87.2	Confident	160 Å²	160	86.8 Å²	86.8	84%	0.838	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	121.7	178.7	-146.8	75.7	0	0	0	110.4
647	G	75.6	Confident	87.5	Confident	91 Å²	91	87.9 Å²	87.9	94%	0.938	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.7	4.5	-175.5	0	0	0	0	0	116.1	K645	K645-G647 PolarHBondContact O-N 3.43Å
648	S	81.5	Confident	87.7	Confident	41 Å²	41	94.2 Å²	94.2	29%	0.287	46%	0.463	S	S	.	.			trans	-103.7	133.7	170.3	178.1	0	0	0	0	110.9	Q644 K645 R650	Q644-S648 WeakPolarHBondContact CG-O 3.16Å; Q644-S648 PolarHBondContact NE2-O 3.17Å; K645-S648 WeakPolarHBondContact O-CB 3.46Å; K645-S648 PolarHBondContact O-N 3.1Å; S648-R650 PolarHBondContact OG-N 2.89Å; S648-R650 VanDerWaalsContact OG-N 3.09Å; S648-R650 PolarHBondContact OG-O 3.21Å; S648-R650 VanDerWaalsContact OG-O 3.04Å
649	E	78.5	Confident	88	Confident	188 Å²	188	90.8 Å²	90.8	88%	0.879	44%	0.444	S	S	*	.			trans	-81.6	-21.9	166.3	-59.2	-148	138.2	0	0	112.4
650	R	85.5	Confident	88.2	Confident	191 Å²	191	90.2 Å²	90.2	72%	0.721	44%	0.442	S	S	*	.			trans	-77.1	128.1	179.6	-170.4	173.5	-172	162.8	4.3	110.9	S648	S648-R650 PolarHBondContact OG-N 2.89Å; S648-R650 VanDerWaalsContact OG-N 3.09Å; S648-R650 PolarHBondContact OG-O 3.21Å; S648-R650 VanDerWaalsContact OG-O 3.04Å
651	R	89.3	Confident	88.3	Confident	129 Å²	129	88.5 Å²	88.5	49%	0.487	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	136.3	163.5	-59.7	-178.4	-175	167.4	5.8	109.6	Q644 F681	Q644-R651 HydrophobicContact CB-CG 4.29Å; R651-F681 HydrophobicContact CG-CD2 4.43Å; R651-F681 HydrophobicContact CG-CE2 4.23Å
652	E	90.1	Very high	88.1	Confident	88 Å²	88	91.8 Å²	91.8	41%	0.411	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	139.1	176.6	-59.5	-175.4	134	0	0	109.4	Y642 M643 K645	Y642-E652 CarbonylContact C-O 3.48Å; Y642-E652 VanDerWaalsContact CA-O 3.25Å; Y642-E652 WeakPolarHBondContact CA-O 3.38Å; M643-E652 PolarHBondContact N-O 2.8Å; M643-E652 PolarHBondContact O-N 2.82Å; K645-E652 IonicContact NZ-OE2 2.9Å; K645-E652 PolarHBondContact NZ-OE2 3.42Å
653	E	90.8	Very high	87.8	Confident	97 Å²	97	91 Å²	91	45%	0.453	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	134.6	174.5	-164.1	169.2	-147.3	0	0	109.4	R640 Y642 K655	R640-E653 IonicContact CZ-OE1 3.32Å; R640-E653 IonicContact NH1-OE1 3.64Å; R640-E653 PolarHBondContact NH1-OE1 2.94Å; Y642-E653 HydrophobicContact CD1-CB 3.91Å; Y642-E653 HydrophobicContact CD1-CG 4.3Å; Y642-E653 HydrophobicContact CE1-CB 3.77Å; Y642-E653 HydrophobicContact CE1-CG 3.95Å; E653-K655 PolarHBondContact O-N 3.02Å
654	V	91.2	Very high	87.3	Confident	28 Å²	28	97.9 Å²	97.9	17%	0.17	49%	0.494	C	S	.	.			trans	-68.5	115.6	-175.3	173.1	0	0	0	0	109.6	W641 M643 V660 L667 Y680	W641-V654 HydrophobicContact CB-CB 3.96Å; W641-V654 HydrophobicContact CB-CG2 3.79Å; W641-V654 PolarHBondContact O-N 2.94Å; M643-V654 HydrophobicContact CB-CG2 4.01Å; V654-V660 HydrophobicContact CG1-CG1 3.87Å; V654-L667 HydrophobicContact CG1-CD1 4.16Å; V654-L667 HydrophobicContact CG1-CD2 3.89Å; V654-Y680 HydrophobicContact CG2-CD1 4.11Å; V654-Y680 HydrophobicContact CG2-CE1 4Å
655	K	90	Very high	87.1	Confident	184 Å²	184	102.3 Å²	102.3	80%	0.8	51%	0.509	S	S	*	.			trans	-73.8	127.9	173.8	-59.8	-175.5	-178	-179.4	0	109.3	E653	E653-K655 PolarHBondContact O-N 3.02Å
656	L	90.1	Very high	87.3	Confident	102 Å²	102	98 Å²	98	53%	0.534	49%	0.491	S	S	.	.			trans	-84.9	141.7	174.7	-54.4	179.9	0	0	0	109.8	V660 H662 L667	L656-V660 WeakPolarHBondContact CA-O 3.46Å; L656-V660 HydrophobicContact CD2-CG1 4.44Å; L656-H662 HydrophobicContact CD1-CB 3.75Å; L656-H662 HydrophobicContact CD2-CB 4.02Å; L656-L667 HydrophobicContact CD2-CD1 3.84Å
657	D	88.9	Confident	87.9	Confident	84 Å²	84	90.4 Å²	90.4	45%	0.449	45%	0.451	S	S	.	.			trans	-150.3	-177.2	176.9	65.8	25.2	0	0	0	109.9	R659 V660	D657-R659 PolarHBondContact O-N 2.83Å; D657-R659 VanDerWaalsContact OD1-CA 3.27Å; D657-R659 WeakPolarHBondContact OD1-CA 3.36Å; D657-R659 VanDerWaalsContact OD1-CB 3.24Å; D657-R659 WeakPolarHBondContact OD1-CB 3.45Å; D657-R659 PolarHBondContact OD1-N 2.98Å; D657-V660 PolarHBondContact N-O 3.48Å; D657-V660 VanDerWaalsContact N-O 3.1Å; D657-V660 CarbonylContact O-C 3.49Å; D657-V660 PolarHBondContact O-N 2.68Å; D657-V660 VanDerWaalsContact O-O 3.12Å; D657-V660 PolarHBondContact OD1-N 3.41Å
658	D	88.4	Confident	88.8	Confident	149 Å²	149	88.5 Å²	88.5	80%	0.797	42%	0.419	S	S	*	.	S	Bend	trans	-61	-11.6	178.9	-73.1	-47.3	0	0	0	114.3	R670	D658-R670 VanDerWaalsContact O-CD 3.23Å; D658-R670 WeakPolarHBondContact O-CD 3.39Å; D658-R670 PolarHBondContact O-NH1 2.59Å
659	R	93.1	Very high	89.5	Confident	52 Å²	52	86.6 Å²	86.6	20%	0.196	41%	0.405	C	S	.	.	S	Bend	trans	-107.6	-29.6	-179.7	-179.4	-168.1	73.8	102.2	-1.2	111.6	D657 I669 R670 S671 D676	D657-R659 PolarHBondContact O-N 2.83Å; D657-R659 VanDerWaalsContact OD1-CA 3.27Å; D657-R659 WeakPolarHBondContact OD1-CA 3.36Å; D657-R659 VanDerWaalsContact OD1-CB 3.24Å; D657-R659 WeakPolarHBondContact OD1-CB 3.45Å; D657-R659 PolarHBondContact OD1-N 2.98Å; R659-I669 CarbonylContact O-C 3.57Å; R659-R670 WeakPolarHBondContact O-CB 3.45Å; R659-R670 PolarHBondContact O-N 3.49Å; R659-S671 WeakPolarHBondContact CD-O 3.34Å; R659-S671 PolarHBondContact NH1-O 3.14Å; R659-D676 IonicContact CZ-OD1 3.15Å; R659-D676 IonicContact CZ-OD2 2.66Å; R659-D676 IonicContact NH1-OD1 2.65Å; R659-D676 PolarHBondContact NH1-OD1 3.14Å; R659-D676 IonicContact NH1-OD2 2.85Å; R659-D676 PolarHBondContact NH1-OD2 2.94Å; R659-D676 IonicContact NH2-OD1 3.19Å; R659-D676 PolarHBondContact NH2-OD1 2.93Å; R659-D676 IonicContact NH2-OD2 3.56Å
660	V	92.1	Very high	90.2	Very high	10 Å²	10	84 Å²	84	6%	0.061	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	98.5	-177.1	-177.9	0	0	0	0	109.2	V654 L656 D657 L667 I669	V654-V660 HydrophobicContact CG1-CG1 3.87Å; L656-V660 WeakPolarHBondContact CA-O 3.46Å; L656-V660 HydrophobicContact CD2-CG1 4.44Å; D657-V660 PolarHBondContact N-O 3.48Å; D657-V660 VanDerWaalsContact N-O 3.1Å; D657-V660 CarbonylContact O-C 3.49Å; D657-V660 PolarHBondContact O-N 2.68Å; D657-V660 VanDerWaalsContact O-O 3.12Å; D657-V660 PolarHBondContact OD1-N 3.41Å; V660-L667 HydrophobicContact CG1-CD1 3.89Å; V660-L667 HydrophobicContact CG1-CD2 3.97Å; V660-L667 HydrophobicContact CG1-CG 4.06Å; V660-I669 HydrophobicContact CG2-CG1 4.47Å
661	V	91.6	Very high	90.5	Very high	41 Å²	41	76.5 Å²	76.5	25%	0.248	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	129.5	-169.6	-177.9	0	0	0	0	110.6	L668	V661-L668 PolarHBondContact N-O 3.41Å; V661-L668 PolarHBondContact O-N 2.86Å
662	H	89.3	Confident	90.6	Very high	76 Å²	76	70.4 Å²	70.4	35%	0.352	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	140	170.9	-168.3	-84.5	0	0	0	110.8	W641 L656	W641-H662 AromaticContact CD1-CD2 3.83Å; W641-H662 AromaticContact CD1-NE2 3.95Å; L656-H662 HydrophobicContact CD1-CB 3.75Å; L656-H662 HydrophobicContact CD2-CB 4.02Å
663	T	87.7	Confident	90.7	Very high	44 Å²	44	69.7 Å²	69.7	27%	0.27	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	164.4	174.1	81.3	0	0	0	0	110.2	F627 R665 G666 L668	F627-T663 HydrophobicContact CE2-CG2 4.5Å; T663-R665 PolarHBondContact O-N 2.99Å; T663-R665 PolarHBondContact OG1-N 3.06Å; T663-G666 PolarHBondContact N-O 3.12Å; T663-G666 PolarHBondContact O-N 2.83Å; T663-G666 VanDerWaalsContact O-O 3.13Å; T663-G666 PolarHBondContact OG1-N 3.11Å; T663-G666 PolarHBondContact OG1-O 3.03Å; T663-L668 HydrophobicContact CG2-CB 4.34Å
664	D	81.6	Confident	90.6	Very high	162 Å²	162	68.4 Å²	68.4	87%	0.866	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-3.8	-179.2	-43.6	-42.9	0	0	0	113.8
665	R	86.6	Confident	90.4	Very high	139 Å²	139	70.6 Å²	70.6	53%	0.525	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.7	4	176.5	-74.3	177.1	56.5	-168.2	-1.9	114.2	F627 E629 C630 I631 T663	F627-R665 HydrophobicContact CE1-CB 4.36Å; F627-R665 HydrophobicContact CZ-CB 3.84Å; F627-R665 WeakPolarHBondContact CZ-O 3.49Å; E629-R665 WeakPolarHBondContact CA-O 3.39Å; E629-R665 IonicContact OE1-CZ 2.82Å; E629-R665 IonicContact OE1-NE 2.74Å; E629-R665 PolarHBondContact OE1-NE 3.36Å; E629-R665 IonicContact OE1-NH2 2.75Å; E629-R665 PolarHBondContact OE1-NH2 3.39Å; C630-R665 CarbonylContact C-O 3.58Å; C630-R665 PolarHBondContact N-O 3.29Å; C630-R665 CarbonylContact O-C 3.55Å; I631-R665 HydrophobicContact CD1-CB 4.3Å; I631-R665 HydrophobicContact CD1-CG 3.86Å; I631-R665 HydrophobicContact CG1-CB 4.14Å; I631-R665 HydrophobicContact CG1-CG 4.06Å; T663-R665 PolarHBondContact O-N 2.99Å; T663-R665 PolarHBondContact OG1-N 3.06Å
666	G	91	Very high	90.4	Very high	2 Å²	2	62.3 Å²	62.3	2%	0.021	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	139.3	-147.7	179.4	0	0	0	0	0	114.8	L628 T663	L628-G666 WeakPolarHBondContact O-CA 3.18Å; T663-G666 PolarHBondContact N-O 3.12Å; T663-G666 PolarHBondContact O-N 2.83Å; T663-G666 VanDerWaalsContact O-O 3.13Å; T663-G666 PolarHBondContact OG1-N 3.11Å; T663-G666 PolarHBondContact OG1-O 3.03Å
667	L	93.9	Very high	90.5	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	123.9	-173.1	-166.7	79.5	0	0	0	111.8	F627 L628 W641 V654 L656 V660 I669 Y680	F627-L667 WeakPolarHBondContact CD2-O 3.34Å; L628-L667 HydrophobicContact CB-CB 4.2Å; L628-L667 HydrophobicContact CD1-CD2 4.19Å; L628-L667 PolarHBondContact N-O 3.34Å; L628-L667 PolarHBondContact O-N 3Å; W641-L667 HydrophobicContact CD2-CB 4.19Å; W641-L667 HydrophobicContact CG-CB 4.42Å; W641-L667 HydrophobicContact CZ2-CB 4.22Å; V654-L667 HydrophobicContact CG1-CD1 4.16Å; V654-L667 HydrophobicContact CG1-CD2 3.89Å; L656-L667 HydrophobicContact CD2-CD1 3.84Å; V660-L667 HydrophobicContact CG1-CD1 3.89Å; V660-L667 HydrophobicContact CG1-CD2 3.97Å; V660-L667 HydrophobicContact CG1-CG 4.06Å; L667-I669 HydrophobicContact CD2-CG1 4.41Å; L667-Y680 HydrophobicContact CD2-CD1 4.39Å; L667-Y680 HydrophobicContact CD2-CE1 4.09Å
668	L	94.3	Very high	90.6	Very high	51 Å²	51	55 Å²	55	27%	0.267	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	113.1	175.2	177.6	62.9	0	0	0	111	F627 V661 T663 R670	F627-L668 HydrophobicContact CB-CD1 4.32Å; F627-L668 HydrophobicContact CD2-CB 4Å; F627-L668 HydrophobicContact CD2-CD1 4.34Å; V661-L668 PolarHBondContact N-O 3.41Å; V661-L668 PolarHBondContact O-N 2.86Å; T663-L668 HydrophobicContact CG2-CB 4.34Å; L668-R670 HydrophobicContact CD2-CG 4.39Å; L668-R670 HydrophobicContact CG-CG 4.34Å
669	I	94.7	Very high	90.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	113.3	168.7	-55.1	174.3	0	0	0	107.2	S625 T626 L628 R659 V660 L667 L672 D676 L699	S625-I669 CarbonylContact C-O 3.45Å; S625-I669 WeakPolarHBondContact CA-O 3.38Å; T626-I669 PolarHBondContact N-O 3.12Å; T626-I669 PolarHBondContact O-N 3.28Å; L628-I669 HydrophobicContact CD1-CD1 4.42Å; R659-I669 CarbonylContact O-C 3.57Å; V660-I669 HydrophobicContact CG2-CG1 4.47Å; L667-I669 HydrophobicContact CD2-CG1 4.41Å; I669-L672 HydrophobicContact CD1-CD1 4.05Å; I669-L672 HydrophobicContact CG2-CB 4.43Å; I669-L672 HydrophobicContact CG2-CD1 4.03Å; I669-D676 HydrophobicContact CD1-CB 4.48Å; I669-L699 HydrophobicContact CD1-CD2 3.97Å
670	R	93.8	Very high	91	Very high	134 Å²	134	47.2 Å²	47.2	51%	0.506	25%	0.254	S	S	.	.	S	Bend	trans	-77.5	-30.6	-174.7	-70.3	170.8	165.4	174	-3.7	113.9	S625 D658 R659 L668	S625-R670 WeakPolarHBondContact CA-O 3.37Å; S625-R670 WeakPolarHBondContact CB-O 3.11Å; S625-R670 PolarHBondContact N-O 2.9Å; D658-R670 VanDerWaalsContact O-CD 3.23Å; D658-R670 WeakPolarHBondContact O-CD 3.39Å; D658-R670 PolarHBondContact O-NH1 2.59Å; R659-R670 WeakPolarHBondContact O-CB 3.45Å; R659-R670 PolarHBondContact O-N 3.49Å; L668-R670 HydrophobicContact CD2-CG 4.39Å; L668-R670 HydrophobicContact CG-CG 4.34Å
671	S	91.9	Very high	91	Very high	33 Å²	33	47.3 Å²	47.3	23%	0.231	25%	0.253	C	S	.	.	S	Bend	trans	-140.8	114.2	173.2	173.1	0	0	0	0	108.3	R659 H673	R659-S671 WeakPolarHBondContact CD-O 3.34Å; R659-S671 PolarHBondContact NH1-O 3.14Å; S671-H673 PolarHBondContact OG-NE2 3.22Å; S671-H673 VanDerWaalsContact OG-NE2 3.07Å
672	L	92.3	Very high	91.1	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.01	24%	0.241	C	C	.	.			trans	-87.8	124.1	-174.2	-173.4	69.1	0	0	0	112.3	G620 N623 N624 I669 D676 L699 L701	G620-L672 VanDerWaalsContact C-CD2 3.49Å; G620-L672 VanDerWaalsContact CA-CD2 3.45Å; N623-L672 PolarHBondContact N-O 3.3Å; N624-L672 WeakPolarHBondContact O-CB 3.29Å; N624-L672 PolarHBondContact O-N 3Å; I669-L672 HydrophobicContact CD1-CD1 4.05Å; I669-L672 HydrophobicContact CG2-CB 4.43Å; I669-L672 HydrophobicContact CG2-CD1 4.03Å; L672-D676 HydrophobicContact CD1-CB 3.68Å; L672-L699 HydrophobicContact CD1-CD2 3.73Å; L672-L699 HydrophobicContact CD2-CD1 4.48Å; L672-L701 HydrophobicContact CD2-CD1 3.69Å; L672-L701 HydrophobicContact CG-CD1 3.77Å
673	H	91.4	Very high	91.1	Very high	73 Å²	73	42.3 Å²	42.3	34%	0.338	23%	0.228	S	C	.	.			trans	-114.4	164.2	-178.7	-58.6	170.7	0	0	0	111.1	S671 S675 D676	S671-H673 PolarHBondContact OG-NE2 3.22Å; S671-H673 VanDerWaalsContact OG-NE2 3.07Å; H673-S675 PolarHBondContact O-N 3.35Å; H673-S675 VanDerWaalsContact O-N 3.16Å; H673-D676 PolarHBondContact N-OD2 3.49Å; H673-D676 WeakPolarHBondContact O-CB 3.07Å; H673-D676 PolarHBondContact O-N 3.46Å
674	A	87.9	Confident	91.1	Very high	69 Å²	69	40.3 Å²	40.3	57%	0.57	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-62.7	-20.8	177.2	0	0	0	0	0	114.2	D676 L701	A674-D676 PolarHBondContact O-N 2.92Å; A674-L701 HydrophobicContact CB-CD2 4.03Å
675	S	88.3	Confident	91.3	Very high	74 Å²	74	34.3 Å²	34.3	52%	0.517	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-66.5	-20.3	172.5	52.2	0	0	0	0	114.3	H673	H673-S675 PolarHBondContact O-N 3.35Å; H673-S675 VanDerWaalsContact O-N 3.16Å
676	D	90	Very high	91	Very high	11 Å²	11	28.2 Å²	28.2	6%	0.059	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-97.8	-0.3	-174.2	-40.5	-45	0	0	0	112	M643 R659 I669 L672 H673 A674 Y680	M643-D676 VanDerWaalsContact CE-C 3.41Å; M643-D676 WeakPolarHBondContact CE-O 3.48Å; R659-D676 IonicContact CZ-OD1 3.15Å; R659-D676 IonicContact CZ-OD2 2.66Å; R659-D676 IonicContact NH1-OD1 2.65Å; R659-D676 PolarHBondContact NH1-OD1 3.14Å; R659-D676 IonicContact NH1-OD2 2.85Å; R659-D676 PolarHBondContact NH1-OD2 2.94Å; R659-D676 IonicContact NH2-OD1 3.19Å; R659-D676 PolarHBondContact NH2-OD1 2.93Å; R659-D676 IonicContact NH2-OD2 3.56Å; I669-D676 HydrophobicContact CD1-CB 4.48Å; L672-D676 HydrophobicContact CD1-CB 3.68Å; H673-D676 PolarHBondContact N-OD2 3.49Å; H673-D676 WeakPolarHBondContact O-CB 3.07Å; H673-D676 PolarHBondContact O-N 3.46Å; A674-D676 PolarHBondContact O-N 2.92Å; D676-Y680 WeakPolarHBondContact O-CE2 3.34Å; D676-Y680 PolarHBondContact O-OH 2.75Å
677	A	91.5	Very high	89.9	Confident	29 Å²	29	32 Å²	32	24%	0.24	18%	0.177	C	C	.	.			trans	-74.3	128.1	174.1	0	0	0	0	0	110.5	M643 L701	M643-A677 WeakPolarHBondContact CE-O 3.42Å; A677-L701 HydrophobicContact CB-CB 4.45Å
678	G	92.5	Very high	88.3	Confident	3 Å²	3	36.9 Å²	36.9	3%	0.031	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.4	-166.9	-174.7	0	0	0	0	0	113.3	Q644 L699	Q644-G678 WeakPolarHBondContact O-CA 3.45Å; G678-L699 PolarHBondContact N-O 2.93Å; G678-L699 PolarHBondContact O-N 3.1Å
679	V	93.8	Very high	87.1	Confident	29 Å²	29	42.2 Å²	42.2	18%	0.176	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	119.2	178	-174.2	0	0	0	0	109.5	Q644 F681 R696	Q644-V679 HydrophobicContact CB-CB 4.48Å; Q644-V679 PolarHBondContact N-O 2.79Å; Q644-V679 PolarHBondContact O-N 3.26Å; V679-F681 HydrophobicContact CB-CE2 4.12Å; V679-F681 HydrophobicContact CB-CZ 4.46Å; V679-F681 HydrophobicContact CG1-CD2 4.37Å; V679-F681 HydrophobicContact CG1-CE1 4.41Å; V679-F681 HydrophobicContact CG1-CE2 3.72Å; V679-F681 HydrophobicContact CG1-CZ 3.74Å; V679-R696 HydrophobicContact CG1-CG 3.38Å
680	Y	94.3	Very high	86.3	Confident	8 Å²	8	44.1 Å²	44.1	3%	0.031	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	138.3	173.9	-71	-98.2	0	0	0	110.1	L628 W641 Y642 M643 V654 L667 D676 R696 L697 L699	L628-Y680 HydrophobicContact CD1-CD1 3.68Å; L628-Y680 HydrophobicContact CD1-CD2 3.77Å; L628-Y680 HydrophobicContact CD1-CE1 3.95Å; L628-Y680 HydrophobicContact CD1-CE2 4.04Å; L628-Y680 HydrophobicContact CD1-CG 3.58Å; W641-Y680 HydrophobicContact CE3-CD1 4.43Å; Y642-Y680 CarbonylContact O-C 3.53Å; Y642-Y680 WeakPolarHBondContact O-CA 3.44Å; M643-Y680 HydrophobicContact CB-CD1 4.23Å; M643-Y680 HydrophobicContact CB-CE1 4.07Å; M643-Y680 HydrophobicContact CE-CE2 4.21Å; M643-Y680 HydrophobicContact CG-CD1 4.32Å; M643-Y680 HydrophobicContact CG-CE1 3.96Å; M643-Y680 HydrophobicContact CG-CE2 4.2Å; M643-Y680 HydrophobicContact SD-CE1 4.33Å; V654-Y680 HydrophobicContact CG2-CD1 4.11Å; V654-Y680 HydrophobicContact CG2-CE1 4Å; L667-Y680 HydrophobicContact CD2-CD1 4.39Å; L667-Y680 HydrophobicContact CD2-CE1 4.09Å; D676-Y680 WeakPolarHBondContact O-CE2 3.34Å; D676-Y680 PolarHBondContact O-OH 2.75Å; Y680-R696 WeakPolarHBondContact O-CA 3.32Å; Y680-L697 PolarHBondContact N-O 2.74Å; Y680-L697 PolarHBondContact O-N 2.91Å; Y680-L699 HydrophobicContact CD2-CB 4.01Å; Y680-L699 HydrophobicContact CD2-CD2 4.47Å; Y680-L699 HydrophobicContact CE2-CB 3.89Å; Y680-L699 HydrophobicContact CE2-CD2 3.75Å; Y680-L699 HydrophobicContact CE2-CG 4.46Å
681	F	93.5	Very high	85.7	Confident	12 Å²	12	41.4 Å²	41.4	5%	0.053	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	114.8	175.7	-60.9	-96.9	0	0	0	107.9	W641 Y642 Q644 R651 V679 V683 T693 R696	W641-F681 WeakPolarHBondContact CA-O 3.08Å; Y642-F681 PolarHBondContact N-O 3.48Å; Y642-F681 PolarHBondContact O-N 2.91Å; Q644-F681 HydrophobicContact CB-CE2 3.81Å; R651-F681 HydrophobicContact CG-CD2 4.43Å; R651-F681 HydrophobicContact CG-CE2 4.23Å; V679-F681 HydrophobicContact CB-CE2 4.12Å; V679-F681 HydrophobicContact CB-CZ 4.46Å; V679-F681 HydrophobicContact CG1-CD2 4.37Å; V679-F681 HydrophobicContact CG1-CE1 4.41Å; V679-F681 HydrophobicContact CG1-CE2 3.72Å; V679-F681 HydrophobicContact CG1-CZ 3.74Å; F681-V683 HydrophobicContact CB-CG2 4.39Å; F681-T693 HydrophobicContact CB-CG2 4.36Å; F681-T693 HydrophobicContact CD1-CG2 4.14Å; F681-R696 HydrophobicContact CD1-CG 4.17Å; F681-R696 HydrophobicContact CE1-CG 3.84Å; F681-R696 HydrophobicContact CZ-CG 4.3Å
682	C	92.6	Very high	85.2	Confident	0 Å²	0	42 Å²	42	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	118.6	167.2	179.2	0	0	0	0	108.5	C630 W641 T693 L694 L695	C630-C682 HydrophobicContact CB-CB 3.66Å; C630-C682 WeakPolarHBondContact CB-SG 3.35Å; C630-C682 WeakPolarHBondContact SG-CB 3.17Å; C630-C682 CovalentContact SG-SG 2.03Å; C630-C682 PolarHBondContact SG-SG 3.07Å; W641-C682 HydrophobicContact CD2-CB 4.44Å; W641-C682 HydrophobicContact CE3-CB 4.16Å; W641-C682 HydrophobicContact CH2-CB 3.96Å; W641-C682 HydrophobicContact CZ2-CB 4.22Å; W641-C682 HydrophobicContact CZ3-CB 3.91Å; C682-T693 CarbonylContact O-C 3.51Å; C682-T693 WeakPolarHBondContact O-CA 3.39Å; C682-L694 PolarHBondContact O-N 3.36Å; C682-L695 HydrophobicContact CB-CB 4.14Å; C682-L695 PolarHBondContact N-O 3.2Å
683	V	90.2	Very high	84.9	Confident	13 Å²	13	44 Å²	44	8%	0.079	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	124	-177.5	178.1	0	0	0	0	108.8	R640 Y642 F681 T691 H692	R640-V683 PolarHBondContact N-O 3.07Å; R640-V683 PolarHBondContact O-N 3.45Å; Y642-V683 HydrophobicContact CD2-CB 4.19Å; Y642-V683 HydrophobicContact CD2-CG2 3.69Å; Y642-V683 HydrophobicContact CE2-CB 3.98Å; Y642-V683 HydrophobicContact CE2-CG1 4.42Å; Y642-V683 HydrophobicContact CE2-CG2 3.89Å; F681-V683 HydrophobicContact CB-CG2 4.39Å; V683-T691 HydrophobicContact CG1-CG2 4.49Å; V683-H692 CarbonylContact C-O 3.59Å; V683-H692 WeakPolarHBondContact CA-O 3.5Å
684	A	87.6	Confident	84.6	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.008	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	128.2	171.4	0	0	0	0	0	109.7	A637 I639 T691 H692 L694	A637-A684 HydrophobicContact CB-CB 4.04Å; I639-A684 HydrophobicContact CD1-CB 4.09Å; A684-T691 VanDerWaalsContact O-CA 3.31Å; A684-T691 WeakPolarHBondContact O-CA 3.29Å; A684-H692 PolarHBondContact N-O 3.17Å; A684-H692 PolarHBondContact O-N 2.92Å; A684-L694 HydrophobicContact CB-CD1 3.87Å; A684-L694 HydrophobicContact CB-CG 3.97Å
685	Q	85.9	Confident	84.7	Confident	37 Å²	37	39.5 Å²	39.5	17%	0.173	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	123.2	169.7	-175.8	171.8	5.1	0	0	109.3	A637 Q638 T688 F690 T691	A637-Q685 CarbonylContact C-O 3.59Å; A637-Q685 WeakPolarHBondContact CA-O 3.38Å; Q638-Q685 PolarHBondContact N-O 2.83Å; Q638-Q685 PolarHBondContact O-N 2.82Å; Q685-T688 PolarHBondContact NE2-O 3.1Å; Q685-F690 CarbonylContact C-O 3.58Å; Q685-F690 WeakPolarHBondContact CA-O 3.42Å; Q685-T691 HydrophobicContact CB-CG2 4.02Å; Q685-T691 HydrophobicContact CG-CG2 3.93Å
686	E	79.6	Confident	84.9	Confident	10 Å²	10	40.1 Å²	40.1	5%	0.047	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	140.1	178.5	-71.4	-175.3	-136	0	0	110.6	R63 L563 T634 A637 F690 H692	R63-E686 IonicContact CZ-OE2 2.7Å; R63-E686 IonicContact NH1-OE2 2.64Å; R63-E686 PolarHBondContact NH1-OE2 3.03Å; R63-E686 IonicContact NH2-OE1 3.12Å; R63-E686 IonicContact NH2-OE2 2.74Å; R63-E686 PolarHBondContact NH2-OE2 2.98Å; L563-E686 HydrophobicContact CD1-CB 4.4Å; L563-E686 HydrophobicContact CD2-CB 4.1Å; T634-E686 HydrophobicContact CG2-CG 4.25Å; T634-E686 VanDerWaalsContact CG2-OE1 3.31Å; T634-E686 WeakPolarHBondContact CG2-OE1 3.48Å; A637-E686 HydrophobicContact CB-CG 3.65Å; E686-F690 PolarHBondContact N-O 2.9Å; E686-F690 WeakPolarHBondContact O-CB 3.5Å; E686-F690 PolarHBondContact O-N 3.5Å; E686-H692 IonicContact OE1-CE1 2.68Å; E686-H692 PolarHBondContact OE1-CE1 3.2Å
687	H	68.3	Low	85.1	Confident	82 Å²	82	39.7 Å²	39.7	38%	0.38	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	-167.4	-163.2	-74.2	-107.8	0	0	0	111	R565 H689	R565-H687 PolarHBondContact NH1-CE1 3.34Å; H687-H689 VanDerWaalsContact C-N 3.33Å; H687-H689 PolarHBondContact O-N 3.48Å
688	T	61	Low	85.3	Confident	103 Å²	103	39.8 Å²	39.8	63%	0.632	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-21.3	-172.1	46.8	0	0	0	0	113.9	Q685	Q685-T688 PolarHBondContact NE2-O 3.1Å
689	H	68.6	Low	85.3	Confident	164 Å²	164	39.8 Å²	39.8	76%	0.759	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-136.2	-14.5	-167.3	-54.7	-53	0	0	0	116.7	H687	H687-H689 VanDerWaalsContact C-N 3.33Å; H687-H689 PolarHBondContact O-N 3.48Å
690	F	77.5	Confident	85.2	Confident	39 Å²	39	42.5 Å²	42.5	17%	0.171	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	130.6	-180	-173.5	-97.8	0	0	0	111.3	A559 L563 P597 Q685 E686 H692	A559-F690 HydrophobicContact CB-CE1 4.2Å; A559-F690 HydrophobicContact CB-CE2 4.04Å; A559-F690 HydrophobicContact CB-CZ 3.52Å; L563-F690 HydrophobicContact CD1-CD1 3.59Å; L563-F690 HydrophobicContact CD1-CE1 3.72Å; L563-F690 HydrophobicContact CD1-CG 4.35Å; P597-F690 HydrophobicContact CB-CD2 3.92Å; P597-F690 HydrophobicContact CB-CE2 3.78Å; P597-F690 HydrophobicContact CB-CZ 4.43Å; P597-F690 HydrophobicContact CG-CD2 3.82Å; P597-F690 HydrophobicContact CG-CE2 3.96Å; P597-F690 HydrophobicContact CG-CG 4.12Å; P597-F690 HydrophobicContact CG-CZ 4.35Å; Q685-F690 CarbonylContact C-O 3.58Å; Q685-F690 WeakPolarHBondContact CA-O 3.42Å; E686-F690 PolarHBondContact N-O 2.9Å; E686-F690 WeakPolarHBondContact O-CB 3.5Å; E686-F690 PolarHBondContact O-N 3.5Å; F690-H692 HydrophobicContact CE1-CB 3.87Å; F690-H692 AromaticContact CE1-ND1 3.58Å; F690-H692 HydrophobicContact CZ-CB 4.2Å
691	T	81.5	Confident	85.1	Confident	78 Å²	78	43.7 Å²	43.7	48%	0.479	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	132.4	176.9	56.8	0	0	0	0	111.1	V683 A684 Q685	V683-T691 HydrophobicContact CG1-CG2 4.49Å; A684-T691 VanDerWaalsContact O-CA 3.31Å; A684-T691 WeakPolarHBondContact O-CA 3.29Å; Q685-T691 HydrophobicContact CB-CG2 4.02Å; Q685-T691 HydrophobicContact CG-CG2 3.93Å
692	H	80.1	Confident	84.8	Confident	46 Å²	46	45.2 Å²	45.2	21%	0.213	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	149.4	175	68.7	-81.6	0	0	0	111.7	V683 A684 E686 F690 L694	V683-H692 CarbonylContact C-O 3.59Å; V683-H692 WeakPolarHBondContact CA-O 3.5Å; A684-H692 PolarHBondContact N-O 3.17Å; A684-H692 PolarHBondContact O-N 2.92Å; E686-H692 IonicContact OE1-CE1 2.68Å; E686-H692 PolarHBondContact OE1-CE1 3.2Å; F690-H692 HydrophobicContact CE1-CB 3.87Å; F690-H692 AromaticContact CE1-ND1 3.58Å; F690-H692 HydrophobicContact CZ-CB 4.2Å; H692-L694 VanDerWaalsContact NE2-CD2 3.33Å; H692-L694 WeakPolarHBondContact NE2-CD2 3.21Å
693	T	86.8	Confident	84.2	Confident	43 Å²	43	47.7 Å²	47.7	26%	0.264	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	121.3	177.2	-54.7	0	0	0	0	109.4	V613 F681 C682	V613-T693 HydrophobicContact CG1-CG2 3.69Å; F681-T693 HydrophobicContact CB-CG2 4.36Å; F681-T693 HydrophobicContact CD1-CG2 4.14Å; C682-T693 CarbonylContact O-C 3.51Å; C682-T693 WeakPolarHBondContact O-CA 3.39Å
694	L	85.3	Confident	83	Confident	41 Å²	41	53.3 Å²	53.3	22%	0.215	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	-44.5	176.2	-71.8	175.5	0	0	0	112	P632 I639 C682 A684 H692	P632-L694 HydrophobicContact CB-CD1 4.17Å; I639-L694 HydrophobicContact CD1-CD1 3.73Å; C682-L694 PolarHBondContact O-N 3.36Å; A684-L694 HydrophobicContact CB-CD1 3.87Å; A684-L694 HydrophobicContact CB-CG 3.97Å; H692-L694 VanDerWaalsContact NE2-CD2 3.33Å; H692-L694 WeakPolarHBondContact NE2-CD2 3.21Å
695	L	89.6	Confident	81.6	Confident	7 Å²	7	55.6 Å²	55.6	4%	0.037	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	131.9	-163.1	172	65.5	0	0	0	110.7	E614 R616 E629 C630 C682 L697	E614-L695 HydrophobicContact CB-CD1 3.92Å; E614-L695 HydrophobicContact CG-CD1 4.11Å; E614-L695 WeakPolarHBondContact O-CD1 3.43Å; R616-L695 HydrophobicContact CB-CD1 4.2Å; R616-L695 HydrophobicContact CG-CD1 3.81Å; E629-L695 WeakPolarHBondContact O-CD2 3.45Å; C630-L695 HydrophobicContact CB-CD2 4.15Å; C682-L695 HydrophobicContact CB-CB 4.14Å; C682-L695 PolarHBondContact N-O 3.2Å; L695-L697 HydrophobicContact CD1-CG 4.25Å; L695-L697 HydrophobicContact CD2-CD1 3.57Å; L695-L697 HydrophobicContact CD2-CG 3.99Å; L695-L697 HydrophobicContact CG-CD1 4Å; L695-L697 HydrophobicContact CG-CG 3.93Å
696	R	93.5	Very high	80.3	Confident	87 Å²	87	58.3 Å²	58.3	33%	0.328	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	114.9	172.3	-168	175	101.9	-152.7	5.9	109.6	V613 E614 E615 R616 V679 Y680 F681	V613-R696 HydrophobicContact CG1-CB 4.12Å; E614-R696 PolarHBondContact O-N 2.83Å; E615-R696 WeakPolarHBondContact CA-O 3.46Å; E615-R696 IonicContact OE1-CZ 2.66Å; E615-R696 IonicContact OE1-NE 2.97Å; E615-R696 IonicContact OE1-NH1 2.98Å; E615-R696 PolarHBondContact OE1-NH1 3.01Å; E615-R696 IonicContact OE1-NH2 2.82Å; E615-R696 PolarHBondContact OE1-NH2 2.85Å; E615-R696 IonicContact OE2-CZ 3.7Å; E615-R696 IonicContact OE2-NE 3.15Å; E615-R696 IonicContact OE2-NH1 2.65Å; E615-R696 IonicContact OE2-NH2 3.84Å; E615-R696 PolarHBondContact OE2-NH2 3.03Å; R616-R696 PolarHBondContact N-O 2.77Å; V679-R696 HydrophobicContact CG1-CG 3.38Å; Y680-R696 WeakPolarHBondContact O-CA 3.32Å; F681-R696 HydrophobicContact CD1-CG 4.17Å; F681-R696 HydrophobicContact CE1-CG 3.84Å; F681-R696 HydrophobicContact CZ-CG 4.3Å
697	L	94	Very high	79.1	Confident	2 Å²	2	63.9 Å²	63.9	1%	0.01	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	104.7	-172.5	-96.9	166.5	0	0	0	111.3	R616 L618 L628 W641 Y680 L695 L699	R616-L697 HydrophobicContact CB-CD2 3.6Å; R616-L697 HydrophobicContact CB-CG 4.3Å; R616-L697 CarbonylContact O-C 3.57Å; R616-L697 WeakPolarHBondContact O-CA 3.42Å; L618-L697 HydrophobicContact CB-CD2 4.47Å; L618-L697 HydrophobicContact CD1-CD2 3.56Å; L618-L697 HydrophobicContact CG-CD2 3.63Å; L628-L697 HydrophobicContact CB-CD1 4.05Å; W641-L697 HydrophobicContact CH2-CD1 3.83Å; W641-L697 HydrophobicContact CZ3-CD1 4Å; Y680-L697 PolarHBondContact N-O 2.74Å; Y680-L697 PolarHBondContact O-N 2.91Å; L695-L697 HydrophobicContact CD1-CG 4.25Å; L695-L697 HydrophobicContact CD2-CD1 3.57Å; L695-L697 HydrophobicContact CD2-CG 3.99Å; L695-L697 HydrophobicContact CG-CD1 4Å; L695-L697 HydrophobicContact CG-CG 3.93Å; L697-L699 PolarHBondContact O-N 2.82Å
698	T	94.3	Very high	78.1	Confident	31 Å²	31	66.8 Å²	66.8	19%	0.19	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	105.8	173.7	-58	0	0	0	0	109.3	R616 V617 L618 Q700	R616-T698 PolarHBondContact O-N 3.04Å; V617-T698 WeakPolarHBondContact CA-O 3.32Å; L618-T698 PolarHBondContact N-O 3.16Å; T698-Q700 HydrophobicContact CG2-CG 4.18Å
699	L	93.9	Very high	77.4	Confident	3 Å²	3	69.6 Å²	69.6	2%	0.016	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	113.5	178.1	-178.4	56.6	0	0	0	110.4	L618 T626 L628 I669 L672 G678 Y680 L697	L618-L699 HydrophobicContact CB-CD1 4.22Å; T626-L699 HydrophobicContact CG2-CD1 4.02Å; L628-L699 HydrophobicContact CD2-CD1 4.4Å; L628-L699 HydrophobicContact CD2-CD2 4.25Å; I669-L699 HydrophobicContact CD1-CD2 3.97Å; L672-L699 HydrophobicContact CD1-CD2 3.73Å; L672-L699 HydrophobicContact CD2-CD1 4.48Å; G678-L699 PolarHBondContact N-O 2.93Å; G678-L699 PolarHBondContact O-N 3.1Å; Y680-L699 HydrophobicContact CD2-CB 4.01Å; Y680-L699 HydrophobicContact CD2-CD2 4.47Å; Y680-L699 HydrophobicContact CE2-CB 3.89Å; Y680-L699 HydrophobicContact CE2-CD2 3.75Å; Y680-L699 HydrophobicContact CE2-CG 4.46Å; L697-L699 PolarHBondContact O-N 2.82Å
700	Q	92.1	Very high	76.1	Confident	86 Å²	86	70.9 Å²	70.9	40%	0.402	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	132.6	177.8	-57.9	-168.8	10.8	0	0	110.5	V617 L618 F619 G620 T698	V617-Q700 HydrophobicContact CG1-CG 4.17Å; L618-Q700 PolarHBondContact O-N 2.84Å; F619-Q700 WeakPolarHBondContact CA-O 3.34Å; F619-Q700 HydrophobicContact CD1-CB 3.94Å; F619-Q700 HydrophobicContact CE1-CB 4.05Å; F619-Q700 HydrophobicContact CE1-CG 4.47Å; F619-Q700 VanDerWaalsContact CE1-OE1 3.23Å; G620-Q700 PolarHBondContact N-O 2.9Å; T698-Q700 HydrophobicContact CG2-CG 4.18Å
701	L	90.8	Very high	74.2	Confident	32 Å²	32	73.6 Å²	73.6	17%	0.168	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	123.3	178.1	-170.9	79.2	0	0	0	110.8	G620 Q622 L672 A674 A677 T703	G620-L701 WeakPolarHBondContact O-CA 3.27Å; Q622-L701 HydrophobicContact CB-CD1 3.92Å; Q622-L701 HydrophobicContact CB-CD2 4.28Å; Q622-L701 HydrophobicContact CB-CG 4.27Å; Q622-L701 HydrophobicContact CG-CD1 4.38Å; Q622-L701 HydrophobicContact CG-CD2 4.34Å; L672-L701 HydrophobicContact CD2-CD1 3.69Å; L672-L701 HydrophobicContact CG-CD1 3.77Å; A674-L701 HydrophobicContact CB-CD2 4.03Å; A677-L701 HydrophobicContact CB-CB 4.45Å; L701-T703 HydrophobicContact CD2-CG2 4.07Å
702	L	87.3	Confident	72.1	Confident	45 Å²	45	79.5 Å²	79.5	24%	0.236	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	114.5	163.6	-66.1	-179.5	0	0	0	109.9	F619 G620 V621 Q622	F619-L702 HydrophobicContact CB-CD1 3.89Å; F619-L702 HydrophobicContact CB-CG 4.15Å; F619-L702 HydrophobicContact CD1-CD1 4.43Å; F619-L702 HydrophobicContact CD1-CD2 4.06Å; F619-L702 HydrophobicContact CD1-CG 4.17Å; F619-L702 HydrophobicContact CG-CD1 4.5Å; G620-L702 PolarHBondContact O-N 3.1Å; V621-L702 HydrophobicContact CG2-CB 4.41Å; Q622-L702 PolarHBondContact N-O 3.02Å
703	T	80.6	Confident	69.9	Low	51 Å²	51	84.8 Å²	84.8	31%	0.313	43%	0.43	S	S	.	.			trans	-80.9	148.4	168.6	61.1	0	0	0	0	110.2	L701 G705 Q706	L701-T703 HydrophobicContact CD2-CG2 4.07Å; T703-G705 PolarHBondContact O-N 2.96Å; T703-Q706 VanDerWaalsContact N-OE1 3.09Å; T703-Q706 PolarHBondContact O-N 3.02Å; T703-Q706 PolarHBondContact OG1-OE1 3.32Å
704	H	65.6	Low	67.5	Low	131 Å²	131	88 Å²	88	61%	0.606	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-25.5	-176.3	-85.5	-83.4	0	0	0	114.3
705	G	57.9	Low	65.3	Low	50 Å²	50	94.7 Å²	94.7	52%	0.515	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	7	178.5	0	0	0	0	0	116.5	T703	T703-G705 PolarHBondContact O-N 2.96Å
706	Q	57.2	Low	62.5	Low	94 Å²	94	102.2 Å²	102.2	44%	0.439	53%	0.525	S	S	.	.	S	Bend	trans	-96.2	-22	177.7	-80.3	170.2	-60.4	0	0	114.1	T703 D708 K709	T703-Q706 VanDerWaalsContact N-OE1 3.09Å; T703-Q706 PolarHBondContact O-N 3.02Å; T703-Q706 PolarHBondContact OG1-OE1 3.32Å; Q706-D708 VanDerWaalsContact C-N 3.32Å; Q706-D708 PolarHBondContact O-N 2.66Å; Q706-K709 PolarHBondContact O-N 2.83Å
707	L	55	Low	60.1	Low	126 Å²	126	104.5 Å²	104.5	66%	0.66	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-29	-177.9	-74.5	160.4	0	0	0	113.3
708	D	47.2	Very low	57.5	Low	144 Å²	144	109.2 Å²	109.2	77%	0.77	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-4.5	-178.8	-70.7	-56.7	0	0	0	114.9	Q706 K710	Q706-D708 VanDerWaalsContact C-N 3.32Å; Q706-D708 PolarHBondContact O-N 2.66Å; D708-K710 PolarHBondContact O-N 2.62Å
709	K	47.1	Very low	54.8	Low	162 Å²	162	115.5 Å²	115.5	70%	0.704	61%	0.614	S	S	*	*			trans	-77.7	92.1	-177.6	-71.2	-172.3	179.7	179.6	0	111.2	Q706	Q706-K709 PolarHBondContact O-N 2.83Å
710	K	40.8	Very low	52.1	Low	190 Å²	190	122.3 Å²	122.3	83%	0.826	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-47.3	128.4	159.3	-79.7	-177.9	177.6	175.3	0	109	D708 K712	D708-K710 PolarHBondContact O-N 2.62Å; K710-K712 PolarHBondContact O-N 2.62Å
711	P	38.1	Very low	49.6	Very low	96 Å²	96	126.4 Å²	126.4	62%	0.623	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-62.8	134.2	171.9	26.7	-33.3	0	0	0	109.1
712	K	36	Very low	47.2	Very low	202 Å²	202	133 Å²	133	88%	0.878	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-70.9	127.6	163.4	-75	-174.8	173.2	-175.1	0	107.5	K710 S714	K710-K712 PolarHBondContact O-N 2.62Å; K712-S714 PolarHBondContact O-N 2.03Å
713	L	34.5	Very low	45.1	Very low	157 Å²	157	135.7 Å²	135.7	82%	0.822	71%	0.713	S	S	*	*			trans	-69.9	114.5	160.3	-94.7	66.3	0	0	0	107.7
714	S	36.8	Very low	43.2	Very low	111 Å²	111	136.4 Å²	136.4	78%	0.776	72%	0.724	S	S	*	*			trans	-88.6	148.5	136.9	49.1	0	0	0	0	107.5	K712 D716	K712-S714 PolarHBondContact O-N 2.03Å; S714-D716 PolarHBondContact O-N 2.95Å
715	E	38.7	Very low	42.3	Very low	181 Å²	181	135.8 Å²	135.8	85%	0.846	72%	0.721	S	S	*	*			trans	-76.7	121.1	-170.6	-65.3	170.6	116	0	0	112.2
716	D	32.2	Very low	41.9	Very low	166 Å²	166	136.3 Å²	136.3	89%	0.888	72%	0.721	S	S	*	*			trans	-151.7	130.8	146.8	-110	-38	0	0	0	108.1	S714	S714-D716 PolarHBondContact O-N 2.95Å
717	V	42.7	Very low	41.6	Very low	134 Å²	134	140.2 Å²	140.2	81%	0.812	73%	0.732	S	S	*	*			trans	-113.7	90.4	-159.6	-176.8	0	0	0	0	111.7
718	A	38.4	Very low	41.2	Very low	101 Å²	101	139 Å²	139	84%	0.835	72%	0.723	S	S	*	*	S	Bend	trans	-147.5	-8.8	178.7	0	0	0	0	0	118.7
719	E	38.4	Very low	41.4	Very low	163 Å²	163	140.1 Å²	140.1	76%	0.762	72%	0.716	S	S	*	*			trans	-141.8	30.1	-163.8	-140.2	174.4	-121.2	0	0	117.9	H721	E719-H721 PolarHBondContact O-N 2.83Å
720	L	37.3	Very low	41.7	Very low	146 Å²	146	139.7 Å²	139.7	76%	0.764	71%	0.711	S	S	*	*			trans	-80.3	-9.5	-168.4	-96.7	164.5	0	0	0	117.7
721	H	39.8	Very low	42.3	Very low	172 Å²	172	136.6 Å²	136.6	80%	0.796	70%	0.698	S	S	*	*	S	Bend	trans	-86.4	-29.4	-169.7	-89.3	-75.8	0	0	0	116.7	E719	E719-H721 PolarHBondContact O-N 2.83Å
722	H	39.8	Very low	42.9	Very low	171 Å²	171	135.2 Å²	135.2	79%	0.792	69%	0.685	S	S	*	*	S	Bend	trans	-81.8	-27.2	-177.8	-85.4	51.3	0	0	0	113.8	A724	H722-A724 VanDerWaalsContact C-N 3.29Å; H722-A724 PolarHBondContact O-N 3.2Å
723	N	43.5	Very low	43.7	Very low	101 Å²	101	133.6 Å²	133.6	54%	0.54	68%	0.675	S	S	.	*	H	α-helix	trans	-76	-10.6	-173.8	-78.5	-59.9	0	0	0	114.9
724	A	41.1	Very low	44.4	Very low	66 Å²	66	129.9 Å²	129.9	55%	0.545	66%	0.655	S	S	.	*	H	α-helix	trans	-74.3	-47.7	178.4	0	0	0	0	0	112.4	H722 R727 Q728	H722-A724 VanDerWaalsContact C-N 3.29Å; H722-A724 PolarHBondContact O-N 3.2Å; A724-R727 PolarHBondContact O-N 2.99Å; A724-Q728 PolarHBondContact O-N 3.33Å
725	E	45.9	Very low	45.1	Very low	118 Å²	118	133.1 Å²	133.1	55%	0.551	65%	0.65	S	S	*	*	H	α-helix	trans	-65.7	-42.6	-176.2	-68.4	-165.1	-166.4	0	0	112.8	R727 Q728 R729	E725-R727 VanDerWaalsContact C-N 3.3Å; E725-R727 PolarHBondContact O-N 2.86Å; E725-Q728 PolarHBondContact O-N 2.84Å; E725-Q728 VanDerWaalsContact O-N 3.09Å; E725-R729 WeakPolarHBondContact O-CG 3.5Å; E725-R729 PolarHBondContact O-N 2.93Å; E725-R729 IonicContact OE2-CZ 3.01Å; E725-R729 IonicContact OE2-NE 3.09Å; E725-R729 IonicContact OE2-NH2 3.67Å; E725-R729 PolarHBondContact OE2-NH2 3.06Å
726	A	49	Very low	45.7	Very low	62 Å²	62	128.6 Å²	128.6	51%	0.512	64%	0.635	S	S	.	*	H	α-helix	trans	-59.8	-41.1	179.7	0	0	0	0	0	112	Q728 Y730	A726-Q728 VanDerWaalsContact C-N 3.33Å; A726-Q728 PolarHBondContact O-N 2.9Å; A726-Y730 WeakPolarHBondContact O-CB 3.25Å; A726-Y730 PolarHBondContact O-N 2.87Å; A726-Y730 VanDerWaalsContact O-N 3.09Å
727	R	50.3	Low	46.3	Very low	175 Å²	175	127.5 Å²	127.5	66%	0.66	63%	0.626	S	S	*	*	H	α-helix	trans	-67.2	-30.7	175.2	-97.4	-178.7	169.6	144.4	2.2	113.4	A724 E725 K731	A724-R727 PolarHBondContact O-N 2.99Å; E725-R727 VanDerWaalsContact C-N 3.3Å; E725-R727 PolarHBondContact O-N 2.86Å; R727-K731 WeakPolarHBondContact O-CG 3.35Å; R727-K731 PolarHBondContact O-N 2.76Å
728	Q	47	Very low	46.6	Very low	102 Å²	102	125.5 Å²	125.5	48%	0.477	62%	0.618	S	S	.	*	H	α-helix	trans	-72.2	-51.6	175.9	-162	65	13.7	0	0	110.5	A724 E725 A726 Y730 K731 D732	A724-Q728 PolarHBondContact O-N 3.33Å; E725-Q728 PolarHBondContact O-N 2.84Å; E725-Q728 VanDerWaalsContact O-N 3.09Å; A726-Q728 VanDerWaalsContact C-N 3.33Å; A726-Q728 PolarHBondContact O-N 2.9Å; Q728-Y730 PolarHBondContact O-N 3.42Å; Q728-Y730 VanDerWaalsContact O-N 3.16Å; Q728-K731 WeakPolarHBondContact O-CB 3.47Å; Q728-K731 PolarHBondContact O-N 2.77Å; Q728-D732 PolarHBondContact O-N 2.9Å
729	R	51.4	Low	47	Very low	166 Å²	166	124 Å²	124	63%	0.626	60%	0.601	S	S	*	*	H	α-helix	trans	-54.3	-38.3	176.6	-63.2	176.8	-158.8	-173.1	6.8	112.4	E725 D732 Y733	E725-R729 WeakPolarHBondContact O-CG 3.5Å; E725-R729 PolarHBondContact O-N 2.93Å; E725-R729 IonicContact OE2-CZ 3.01Å; E725-R729 IonicContact OE2-NE 3.09Å; E725-R729 IonicContact OE2-NH2 3.67Å; E725-R729 PolarHBondContact OE2-NH2 3.06Å; R729-D732 PolarHBondContact O-N 3.41Å; R729-Y733 WeakPolarHBondContact O-CB 3.45Å; R729-Y733 PolarHBondContact O-N 3.43Å
730	Y	54.4	Low	47.7	Very low	153 Å²	153	122 Å²	122	60%	0.6	60%	0.603	S	S	*	*	H	α-helix	trans	-66.9	-39.3	175.8	-174.7	-107.3	0	0	0	113.5	A726 Q728 D732 Y733 L734	A726-Y730 WeakPolarHBondContact O-CB 3.25Å; A726-Y730 PolarHBondContact O-N 2.87Å; A726-Y730 VanDerWaalsContact O-N 3.09Å; Q728-Y730 PolarHBondContact O-N 3.42Å; Q728-Y730 VanDerWaalsContact O-N 3.16Å; Y730-D732 VanDerWaalsContact C-N 3.35Å; Y730-Y733 PolarHBondContact O-N 3.11Å; Y730-L734 HydrophobicContact CD1-CD1 3.96Å; Y730-L734 HydrophobicContact CE1-CD1 3.51Å; Y730-L734 HydrophobicContact CE1-CG 4.3Å; Y730-L734 WeakPolarHBondContact O-CG 2.98Å; Y730-L734 PolarHBondContact O-N 3.23Å
731	K	52.1	Low	48.1	Very low	125 Å²	125	119.5 Å²	119.5	54%	0.543	59%	0.594	S	S	.	*	H	α-helix	trans	-66.2	-37.7	173.9	-75.8	177.9	176.5	-179.6	0	112.3	R727 Q728 L734 R735	R727-K731 WeakPolarHBondContact O-CG 3.35Å; R727-K731 PolarHBondContact O-N 2.76Å; Q728-K731 WeakPolarHBondContact O-CB 3.47Å; Q728-K731 PolarHBondContact O-N 2.77Å; K731-L734 PolarHBondContact O-N 3.18Å; K731-R735 WeakPolarHBondContact O-CG 3.39Å; K731-R735 PolarHBondContact O-N 3.16Å
732	D	51.1	Low	48.6	Very low	68 Å²	68	119.4 Å²	119.4	36%	0.364	59%	0.593	S	S	.	*	H	α-helix	trans	-69.3	-38.6	178	-60.1	-37.3	0	0	0	110.5	Q728 R729 Y730 R735 V736	Q728-D732 PolarHBondContact O-N 2.9Å; R729-D732 PolarHBondContact O-N 3.41Å; Y730-D732 VanDerWaalsContact C-N 3.35Å; D732-R735 PolarHBondContact O-N 3.41Å; D732-V736 WeakPolarHBondContact O-CG2 3.34Å; D732-V736 PolarHBondContact O-N 2.74Å
733	Y	53.1	Low	49.5	Very low	168 Å²	168	115.2 Å²	115.2	66%	0.659	58%	0.583	S	S	*	*	H	α-helix	trans	-60.9	-43.6	171.9	-141.9	-87.7	0	0	0	112.8	R729 Y730 V736 M737	R729-Y733 WeakPolarHBondContact O-CB 3.45Å; R729-Y733 PolarHBondContact O-N 3.43Å; Y730-Y733 PolarHBondContact O-N 3.11Å; Y733-V736 PolarHBondContact O-N 2.87Å; Y733-M737 PolarHBondContact O-N 2.88Å
734	L	49.5	Very low	49.6	Very low	79 Å²	79	116.9 Å²	116.9	41%	0.414	59%	0.591	S	S	.	*	H	α-helix	trans	-65	-38	175.6	-75.1	173	0	0	0	112.5	Y730 K731 V736 M737 S738	Y730-L734 HydrophobicContact CD1-CD1 3.96Å; Y730-L734 HydrophobicContact CE1-CD1 3.51Å; Y730-L734 HydrophobicContact CE1-CG 4.3Å; Y730-L734 WeakPolarHBondContact O-CG 2.98Å; Y730-L734 PolarHBondContact O-N 3.23Å; K731-L734 PolarHBondContact O-N 3.18Å; L734-V736 VanDerWaalsContact C-N 3.33Å; L734-V736 PolarHBondContact O-N 2.96Å; L734-M737 PolarHBondContact O-N 3.01Å; L734-S738 PolarHBondContact O-N 2.84Å; L734-S738 VanDerWaalsContact O-N 3.13Å; L734-S738 PolarHBondContact O-OG 3.09Å
735	R	50.9	Low	50.1	Low	178 Å²	178	121 Å²	121	67%	0.672	60%	0.599	S	S	*	*	H	α-helix	trans	-62.4	-38.7	174.4	-82.6	175.5	160.4	-178.7	-8.7	112.7	K731 D732 S738 S739	K731-R735 WeakPolarHBondContact O-CG 3.39Å; K731-R735 PolarHBondContact O-N 3.16Å; D732-R735 PolarHBondContact O-N 3.41Å; R735-S738 WeakPolarHBondContact CA-OG 3.28Å; R735-S738 PolarHBondContact O-N 3.26Å; R735-S738 PolarHBondContact O-OG 2.88Å; R735-S739 PolarHBondContact O-N 3.17Å
736	V	51.8	Low	50.3	Low	87 Å²	87	121.6 Å²	121.6	53%	0.527	60%	0.602	S	S	.	*	H	α-helix	trans	-62.4	-44.7	174.9	170.3	0	0	0	0	110.8	D732 Y733 L734 S738 S739	D732-V736 WeakPolarHBondContact O-CG2 3.34Å; D732-V736 PolarHBondContact O-N 2.74Å; Y733-V736 PolarHBondContact O-N 2.87Å; L734-V736 VanDerWaalsContact C-N 3.33Å; L734-V736 PolarHBondContact O-N 2.96Å; V736-S738 VanDerWaalsContact C-N 3.28Å; V736-S738 PolarHBondContact O-N 3.41Å; V736-S739 PolarHBondContact O-N 2.93Å
737	M	45.3	Very low	50.6	Low	142 Å²	142	124.7 Å²	124.7	70%	0.7	60%	0.601	S	S	*	*	H	α-helix	trans	-72	-16.6	178.9	-59.9	-149.4	-49.9	0	0	114.6	Y733 L734	Y733-M737 PolarHBondContact O-N 2.88Å; L734-M737 PolarHBondContact O-N 3.01Å
738	S	49.1	Very low	50.6	Low	92 Å²	92	119.5 Å²	119.5	64%	0.643	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	2.1	178.1	63.8	0	0	0	0	114.8	L734 R735 V736	L734-S738 PolarHBondContact O-N 2.84Å; L734-S738 VanDerWaalsContact O-N 3.13Å; L734-S738 PolarHBondContact O-OG 3.09Å; R735-S738 WeakPolarHBondContact CA-OG 3.28Å; R735-S738 PolarHBondContact O-N 3.26Å; R735-S738 PolarHBondContact O-OG 2.88Å; V736-S738 VanDerWaalsContact C-N 3.28Å; V736-S738 PolarHBondContact O-N 3.41Å
739	S	46	Very low	50.9	Low	69 Å²	69	120 Å²	120	48%	0.483	60%	0.597	S	S	.	*	S	Bend	trans	-96.3	125.9	-175.6	-166.9	0	0	0	0	111.8	R735 V736 V741	R735-S739 PolarHBondContact O-N 3.17Å; V736-S739 PolarHBondContact O-N 2.93Å; S739-V741 PolarHBondContact O-N 2.88Å; S739-V741 WeakPolarHBondContact OG-CG2 3.41Å
740	P	54	Low	50.8	Low	123 Å²	123	115.1 Å²	115.1	80%	0.799	59%	0.588	S	S	*	*			trans	-77.4	92.4	175.2	31.5	-32.9	0	0	0	110.3
741	V	45.5	Very low	50.4	Low	93 Å²	93	112.1 Å²	112.1	56%	0.564	58%	0.582	S	S	*	*			trans	-123.4	137	176.7	-167.4	0	0	0	0	109.3	S739	S739-V741 PolarHBondContact O-N 2.88Å; S739-V741 WeakPolarHBondContact OG-CG2 3.41Å
742	H	50.8	Low	50	Low	170 Å²	170	115.6 Å²	115.6	79%	0.787	59%	0.592	S	S	*	*			trans	-99.6	130.4	-177.9	-75.6	-99.5	0	0	0	111.2
743	S	58.4	Low	49.8	Very low	83 Å²	83	118.4 Å²	118.4	58%	0.58	61%	0.606	S	S	*	*			trans	74.2	158.4	-179.4	84.4	0	0	0	0	116.7
744	L	45.3	Very low	49.2	Very low	136 Å²	136	116.2 Å²	116.2	71%	0.712	61%	0.606	S	S	*	*	S	Bend	trans	-88.2	-22.8	-179.9	-96.6	88.1	0	0	0	113.7	E746 Y747 C748	L744-E746 PolarHBondContact O-N 2.84Å; L744-Y747 WeakPolarHBondContact O-CB 3.47Å; L744-Y747 PolarHBondContact O-N 3.02Å; L744-C748 PolarHBondContact O-N 2.79Å
745	E	50.4	Low	48.8	Very low	153 Å²	153	120.2 Å²	120.2	72%	0.715	62%	0.62	S	S	*	*	H	α-helix	trans	-56.4	-51.6	-173.8	-114.4	70.7	-159	0	0	112.4	Y747 C748 D749	E745-Y747 PolarHBondContact O-N 3.26Å; E745-C748 PolarHBondContact O-N 2.92Å; E745-C748 VanDerWaalsContact O-N 3.08Å; E745-D749 PolarHBondContact O-N 3.26Å
746	E	50	Low	48.2	Very low	130 Å²	130	121.7 Å²	121.7	61%	0.607	63%	0.626	S	S	*	*	H	α-helix	trans	-61.4	-30.3	-177.9	-63.4	-169.3	133.9	0	0	112.9	L744 S750	L744-E746 PolarHBondContact O-N 2.84Å; E746-S750 PolarHBondContact O-N 3.28Å
747	Y	55.4	Low	47.5	Very low	126 Å²	126	120.6 Å²	120.6	49%	0.494	63%	0.626	S	S	.	*	H	α-helix	trans	-67.5	-40.5	176.8	177.7	-108.8	0	0	0	111.5	L744 E745 S750 L751	L744-Y747 WeakPolarHBondContact O-CB 3.47Å; L744-Y747 PolarHBondContact O-N 3.02Å; E745-Y747 PolarHBondContact O-N 3.26Å; Y747-S750 PolarHBondContact O-N 2.81Å; Y747-S750 PolarHBondContact O-OG 2.79Å; Y747-L751 HydrophobicContact CD1-CD1 4.24Å; Y747-L751 HydrophobicContact CE1-CD1 3.64Å; Y747-L751 HydrophobicContact CE2-CD1 4.36Å
748	C	51.2	Low	47.1	Very low	67 Å²	67	118.6 Å²	118.6	45%	0.453	63%	0.626	S	S	.	*	H	α-helix	trans	-64.1	-44.5	179	-77.5	0	0	0	0	112.4	L744 E745 S750 L751 W752	L744-C748 PolarHBondContact O-N 2.79Å; E745-C748 PolarHBondContact O-N 2.92Å; E745-C748 VanDerWaalsContact O-N 3.08Å; C748-S750 VanDerWaalsContact C-N 3.31Å; C748-S750 PolarHBondContact O-N 3.14Å; C748-L751 PolarHBondContact O-N 2.85Å; C748-W752 PolarHBondContact O-N 2.72Å
749	D	52.4	Low	46.6	Very low	113 Å²	113	125.3 Å²	125.3	60%	0.604	64%	0.637	S	S	*	*	H	α-helix	trans	-64.4	-35	179.2	-84.3	-14.9	0	0	0	112.7	E745 L751 W752 L753	E745-D749 PolarHBondContact O-N 3.26Å; D749-L751 VanDerWaalsContact C-N 3.29Å; D749-L751 PolarHBondContact O-N 2.66Å; D749-W752 PolarHBondContact O-N 2.79Å; D749-L753 PolarHBondContact O-N 3.15Å
750	S	50.3	Low	46.1	Very low	62 Å²	62	130.1 Å²	130.1	43%	0.434	65%	0.654	S	S	.	*	H	α-helix	trans	-58.7	-39.4	176.5	80.4	0	0	0	0	112.7	E746 Y747 C748	E746-S750 PolarHBondContact O-N 3.28Å; Y747-S750 PolarHBondContact O-N 2.81Å; Y747-S750 PolarHBondContact O-OG 2.79Å; C748-S750 VanDerWaalsContact C-N 3.31Å; C748-S750 PolarHBondContact O-N 3.14Å
751	L	45.1	Very low	45.1	Very low	91 Å²	91	135.8 Å²	135.8	48%	0.476	66%	0.659	S	S	.	*	H	α-helix	trans	-74	-23.4	-179.9	-74.7	168.3	0	0	0	113.8	Y747 C748 D749	Y747-L751 HydrophobicContact CD1-CD1 4.24Å; Y747-L751 HydrophobicContact CE1-CD1 3.64Å; Y747-L751 HydrophobicContact CE2-CD1 4.36Å; C748-L751 PolarHBondContact O-N 2.85Å; D749-L751 VanDerWaalsContact C-N 3.29Å; D749-L751 PolarHBondContact O-N 2.66Å
752	W	44.3	Very low	44.6	Very low	198 Å²	198	134.9 Å²	134.9	75%	0.75	67%	0.669	S	S	*	*	H	α-helix	trans	-81.2	-31.1	177.5	-84.6	100.9	0	0	0	113	C748 D749	C748-W752 PolarHBondContact O-N 2.72Å; D749-W752 PolarHBondContact O-N 2.79Å
753	L	46.3	Very low	43.6	Very low	126 Å²	126	137.2 Å²	137.2	66%	0.66	68%	0.677	S	S	*	*	H	α-helix	trans	-70.3	-45.5	179.4	-72.7	167.6	0	0	0	112.5	D749 K755 R756	D749-L753 PolarHBondContact O-N 3.15Å; L753-K755 VanDerWaalsContact C-N 3.32Å; L753-K755 PolarHBondContact O-N 3.07Å; L753-R756 WeakPolarHBondContact O-CB 3.32Å; L753-R756 PolarHBondContact O-N 2.69Å
754	D	41.9	Very low	42.1	Very low	123 Å²	123	138.5 Å²	138.5	66%	0.658	69%	0.686	S	S	*	*	H	α-helix	trans	-66.3	-33.5	-172.5	-159.7	31.3	0	0	0	112.7	R756 A757	D754-R756 PolarHBondContact O-N 2.95Å; D754-R756 VanDerWaalsContact O-N 3.11Å; D754-A757 PolarHBondContact O-N 3.31Å; D754-A757 VanDerWaalsContact O-N 3.13Å
755	K	39.6	Very low	41.3	Very low	163 Å²	163	139.3 Å²	139.3	71%	0.709	69%	0.69	S	S	*	*	H	α-helix	trans	-59.7	-20.7	171.7	-90.9	176.6	177.6	167.1	0	114.3	L753	L753-K755 VanDerWaalsContact C-N 3.32Å; L753-K755 PolarHBondContact O-N 3.07Å
756	R	38.8	Very low	40.2	Very low	209 Å²	209	135.7 Å²	135.7	79%	0.789	69%	0.694	S	S	*	*	H	α-helix	trans	-81.5	-33.2	176.1	-112.7	176.2	177	167.6	-0.4	112.6	L753 D754	L753-R756 WeakPolarHBondContact O-CB 3.32Å; L753-R756 PolarHBondContact O-N 2.69Å; D754-R756 PolarHBondContact O-N 2.95Å; D754-R756 VanDerWaalsContact O-N 3.11Å
757	A	36.4	Very low	39.1	Very low	63 Å²	63	137.6 Å²	137.6	52%	0.521	70%	0.702	S	S	.	*	H	α-helix	trans	-67.6	-40.8	-179.5	0	0	0	0	0	112.5	D754 R759 M760	D754-A757 PolarHBondContact O-N 3.31Å; D754-A757 VanDerWaalsContact O-N 3.13Å; A757-R759 VanDerWaalsContact C-N 3.27Å; A757-R759 PolarHBondContact O-N 3.26Å; A757-M760 PolarHBondContact O-N 3.25Å
758	S	38.4	Very low	37.8	Very low	101 Å²	101	135.2 Å²	135.2	71%	0.706	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-58.3	-31.7	-176.5	-178.9	0	0	0	0	114.2	M760	S758-M760 PolarHBondContact O-N 2.8Å
759	R	38.2	Very low	36.6	Very low	233 Å²	233	140.2 Å²	140.2	88%	0.879	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-82.4	-2.2	-176	-72	-173.9	172.9	-174.5	-2	115.5	A757	A757-R759 VanDerWaalsContact C-N 3.27Å; A757-R759 PolarHBondContact O-N 3.26Å
760	M	35.4	Very low	35.2	Very low	169 Å²	169	144.6 Å²	144.6	83%	0.833	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-105.8	-3.8	-174.2	-84.3	-68.8	-148.1	0	0	115.7	A757 S758	A757-M760 PolarHBondContact O-N 3.25Å; S758-M760 PolarHBondContact O-N 2.8Å
761	R	32.7	Very low	34	Very low	242 Å²	242	150.2 Å²	150.2	91%	0.913	76%	0.755	S	S	*	*	S	Bend	trans	-117.9	88.6	-179.5	-79.1	-177.1	167.1	174.1	-3.6	112
762	G	34.4	Very low	33	Very low	75 Å²	75	153.2 Å²	153.2	77%	0.773	77%	0.766	S	S	*	*			trans	-178.3	32.3	-179.9	0	0	0	0	0	118
763	K	30.8	Very low	32	Very low	218 Å²	218	150.3 Å²	150.3	95%	0.948	76%	0.763	S	S	*	*			trans	-155	83.1	176.4	-118.5	175.7	-173.7	179.3	0	114.1
764	S	26.1	Very low	31.1	Very low	111 Å²	111	152.4 Å²	152.4	78%	0.776	77%	0.769	S	S	*	*			trans	-178.3	139.1	169.9	-165.3	0	0	0	0	107.1
765	L	29.7	Very low	30.4	Very low	153 Å²	153	154.4 Å²	154.4	80%	0.801	78%	0.78	S	S	*	*			cis	-149.3	142.8	-1.7	-148.1	154.8	0	0	0	108.1	H767	L765-H767 HydrophobicContact CD2-CB 4.48Å
766	G	27	Very low	29.6	Very low	76 Å²	76	153.5 Å²	153.5	78%	0.784	78%	0.78	S	S	*	*			trans	-170.4	109.7	173.9	0	0	0	0	0	111.6
767	H	26.1	Very low	29	Very low	170 Å²	170	151.7 Å²	151.7	79%	0.787	78%	0.778	S	S	*	*			trans	-119.3	119.8	-159.9	-152.7	-88.7	0	0	0	112.9	L765	L765-H767 HydrophobicContact CD2-CB 4.48Å
768	G	27.6	Very low	28.6	Very low	76 Å²	76	157.7 Å²	157.7	78%	0.784	79%	0.792	S	S	*	*			trans	-133.8	27.4	-159.4	0	0	0	0	0	118.9
769	K	26.2	Very low	28.2	Very low	172 Å²	172	160.4 Å²	160.4	75%	0.748	80%	0.799	S	S	*	*			trans	49.7	100	159.1	-66.9	-169.3	176.7	179.4	0	121.3
770	W	23.2	Very low	27.8	Very low	206 Å²	206	160.4 Å²	160.4	78%	0.78	80%	0.799	S	S	*	*				66.5	126.1	127.9	-62.5	107.2	0	0	0	124.8
771	K	24.8	Very low	27.7	Very low	179 Å²	179	159 Å²	159	78%	0.778	79%	0.794	S	S	*	*			trans	64.7	152.3	146.6	-74.5	174.2	175.1	-176.6	0	117.4
772	H	24.7	Very low	27.8	Very low	154 Å²	154	157.2 Å²	157.2	71%	0.713	79%	0.788	S	S	*	*			cis	-149.2	174.5	18.8	-162.3	-115.8	0	0	0	113.9
773	M	24.3	Very low	27.7	Very low	138 Å²	138	163.7 Å²	163.7	68%	0.68	79%	0.789	S	S	*	*			trans	-37.8	166.5	178.7	-155.4	164.7	74.3	0	0	120.6
774	Q	26	Very low	27.8	Very low	169 Å²	169	160.5 Å²	160.5	79%	0.79	78%	0.777	S	S	*	*			trans	-45.3	152.2	170.1	-57	156.6	-40	0	0	115.1
775	D	27	Very low	28	Very low	166 Å²	166	162 Å²	162	89%	0.888	77%	0.772	S	S	*	*				-158.1	178.5	120.9	-140.1	-30.1	0	0	0	113.3
776	M	23.9	Very low	28	Very low	144 Å²	144	163.8 Å²	163.8	71%	0.709	77%	0.768	S	S	*	*			trans	-99	163.8	-166.1	-93.4	-121.8	-163.8	0	0	116.1
777	K	26.4	Very low	28.1	Very low	171 Å²	171	166.7 Å²	166.7	74%	0.743	77%	0.765	S	S	*	*			trans	80.7	137.5	143.7	-83.3	160.1	-175.3	163.9	0	122
778	K	28.2	Very low	28.2	Very low	188 Å²	188	168.2 Å²	168.2	82%	0.817	76%	0.764	S	S	*	*			trans	75.9	81.5	143.5	-72.3	-179	176.7	-175.9	0	120.7
779	N	29.2	Very low	28.3	Very low	158 Å²	158	170.9 Å²	170.9	85%	0.845	76%	0.756	S	S	*	*				10.6	126.2	110.1	-170.2	5.5	0	0	0	118.4
780	R	31.1	Very low	28.4	Very low	233 Å²	233	170.8 Å²	170.8	88%	0.879	76%	0.758	S	S	*	*			trans	-156.3	155.3	158.4	-92.7	-176.3	162.2	177.3	-4	109.4
781	N	33.3	Very low	28.8	Very low	139 Å²	139	166.5 Å²	166.5	74%	0.743	75%	0.751	S	S	*	*			cis	-176	174.5	-30.8	-165.3	4.6	0	0	0	108.7
782	R	33.2	Very low	28.9	Very low	206 Å²	206	165.7 Å²	165.7	78%	0.777	75%	0.747	S	S	*	*			trans	78.9	140.7	169.8	-62.7	174.7	164.3	169.4	-5.7	114.3
783	R	33.6	Very low	29.2	Very low	210 Å²	210	165 Å²	165	79%	0.792	74%	0.744	S	S	*	*			cis	-157.7	155.4	7.6	-116.8	165	172	167.5	-5.4	106.5
784	H	32.4	Very low	29.5	Very low	151 Å²	151	167 Å²	167	70%	0.699	74%	0.744	S	S	*	*			cis	-150.8	-137.2	-8.6	-143.9	-18.1	0	0	0	107.2
785	H	30.8	Very low	29.6	Very low	144 Å²	144	167.4 Å²	167.4	67%	0.667	74%	0.743	S	S	*	*			cis	-153.8	152.3	-3.7	-143.7	-83.5	0	0	0	109.8
786	R	28.9	Very low	29.8	Very low	190 Å²	190	163.6 Å²	163.6	72%	0.717	73%	0.73	S	S	*	*			trans	-4.2	135.6	165.3	-60.4	-178.2	87.5	173.2	3.3	121.3
787	D	30	Very low	30.1	Very low	136 Å²	136	168.7 Å²	168.7	73%	0.727	74%	0.741	S	S	*	*				69	141.8	67.4	-48.1	-50.5	0	0	0	113.4
788	R	28.2	Very low	30.2	Very low	203 Å²	203	163.7 Å²	163.7	77%	0.766	74%	0.738	S	S	*	*			cis	-166.2	175	6.8	-139.2	165.6	169.8	-132.4	6	110.4
789	E	29.1	Very low	30.4	Very low	131 Å²	131	165.7 Å²	165.7	61%	0.612	74%	0.74	S	S	*	*			trans	64.9	156.2	152.8	-81	146.6	-138.6	0	0	119.2
790	E	29.3	Very low	30.6	Very low	170 Å²	170	165.5 Å²	165.5	79%	0.794	74%	0.738	S	S	*	*			cis	-160.7	153.4	-27.6	-140.3	174.7	-147.3	0	0	112.1
791	D	29.8	Very low	30.8	Very low	117 Å²	117	161.2 Å²	161.2	63%	0.626	73%	0.731	S	S	*	*			trans	73.9	152.5	142.1	-138.2	7.2	0	0	0	127.1
792	K	28.7	Very low	30.9	Very low	162 Å²	162	165.7 Å²	165.7	70%	0.704	74%	0.737	S	S	*	*			trans	68.3	104	153.6	-86	174.2	-172	80.3	0	126.4
793	E	30.4	Very low	31	Very low	140 Å²	140	160.1 Å²	160.1	65%	0.654	74%	0.735	S	S	*	*				70.7	136.2	117.9	-97.9	-152.8	123.1	0	0	126.1
794	R	30	Very low	31.6	Very low	178 Å²	178	160.6 Å²	160.6	67%	0.672	76%	0.761	S	S	*	*			trans	88.3	115.2	140.1	-79.1	178	-175.1	-163.6	7.2	123.9
795	K	29.3	Very low	31.6	Very low	179 Å²	179	161.1 Å²	161.1	78%	0.778	76%	0.764	S	S	*	*				56.6	138.6	120.7	-70.8	178.1	-178.7	175.1	0	119.3
796	S	30.1	Very low	31.6	Very low	86 Å²	86	161.9 Å²	161.9	60%	0.601	77%	0.769	S	S	*	*			cis	-174.3	164.1	2.9	58.3	0	0	0	0	113
797	R	31.1	Very low	31.8	Very low	251 Å²	251	160.4 Å²	160.4	95%	0.947	77%	0.772	S	S	*	*			trans	66.6	152.2	161.4	-63.7	163	171.4	173.7	-4.1	115.7
798	G	28.3	Very low	31.9	Very low	65 Å²	65	161.8 Å²	161.8	67%	0.67	77%	0.774	S	S	*	*			cis	149.6	154.2	-6.8	0	0	0	0	0	112.9
799	R	30.9	Very low	32.1	Very low	230 Å²	230	159.3 Å²	159.3	87%	0.868	78%	0.775	S	S	*	*			trans	74.1	137.6	-171.5	-63.7	-179.3	169.3	164.2	-4.4	114
800	I	34.4	Very low	32.3	Very low	155 Å²	155	161.1 Å²	161.1	80%	0.795	79%	0.786	S	S	*	*			cis	81.5	143.9	16.9	-44.9	171.3	0	0	0	114.7
801	I	34.6	Very low	32.5	Very low	143 Å²	143	160.5 Å²	160.5	73%	0.733	79%	0.785	S	S	*	*			trans	86.4	115.1	-178.6	-50.9	178.7	0	0	0	112
802	R	36.6	Very low	32.8	Very low	233 Å²	233	163.8 Å²	163.8	88%	0.879	80%	0.797	S	S	*	*			cis	99.6	144.3	19.5	-166.4	-169.8	-169	-165.2	6.5	113.3
803	A	35.8	Very low	33.1	Very low	89 Å²	89	164 Å²	164	74%	0.736	81%	0.805	S	S	*	*			trans	75.2	154.2	176.6	0	0	0	0	0	114.3
804	V	45.7	Very low	33.3	Very low	219 Å²	219	166.2 Å²	166.2	100%	1.327	82%	0.819	S	S	*	*			cis	-97.4	0	1	-179	0	0	0	0	111.2

Retrieved 804 of 804 residues in 2013.4 ms (Link to these results)

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