A0A087XG16_POEFO Loading...

Transmembrane serine protease 6

AlphaFold DB , UniProt , Accession A0A087XG16, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 811 aa.

						>A0A087XG16_POEFO|A0A087XG16
MALGCGSKESVSCDQEVTPATLSNEVGAATQNEELHIKTTRTSKCLLASLVFLFVFLIAVAATLAWYFLEYSVWTLEPRVQQQYTAYLTIVNRNFSADLASHNNPTFKTEAKYVQNTLKKIMKASSLSRYFNYTTVFAFGQGSVVAHFWIVLSVPSSHVGKVTVKEVARSLEDGLRWYGRSQRGETANVNGFLFHLPTLCVTETDSKVVEVLTSSFDCYRYQKVVSSSPMALRGPETHRLSCLWHLQTDPGSQLELHMEWLLPECRDRLVVYDSITPSDHHLITSMYGCSRHEDVVRVLSSSEWMTVVWKKGLYNYKDPFSLSAQAWPQQDCISSIQLKEVQGVQGTLQTPFFPSFYPPNTNCTWTFIMPGAALGLALEFEGYELSRASYNEACTQGQWVIQNRRLCGTRGLQPYCERLSLLTNSTTVVMTSEVSLTGPGLQVHYSVFNLSDPCPGQFLCTVSGLCVPLCDGIKDCSNGLDERNCVCVAQYMCPEDSQCVDYYKVCDQHPDCPEASDEMNCTAGVECTDMTYVCADGTCLKKPNPECDSVTDCPDASDENRCECGLRQFSTRIVGGSDALEGEWPWQTSLQVRGTHICGGALISSQWVASAAHCFYDDSVYSPSVWTVYLGKLLLNRSSSIEEVARVQQIHLHQYYDSESHDYDLALLKLDRPAYALLTGHARPACLPPPTHQLEPGLLCWVTGWGAQREGGGANNVLQKVDVRLVSEEACVRSYGYLVTPRMLCAGYRSGGKDACQGDSGGPLVCQEPSGRWFLAGVVSWGKGCGRPDYYGVYTRITRLTNWIKQVISSP
					

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(Predicted Aligned Error values between residue pairs)

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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	32.3	Very low	27.3	Very low	246 Å²	246	136.2 Å²	136.2	100%	1.212	84%	0.836	S	S	*	*				0	106.2	0	-93.8	171.9	160.4	0	0	108.7
2	A	31.9	Very low	27.1	Very low	93 Å²	93	133.5 Å²	133.5	77%	0.769	83%	0.827	S	S	*	*			trans	-160.5	117	162.6	0	0	0	0	0	102.4
3	L	28.9	Very low	27.1	Very low	170 Å²	170	130.8 Å²	130.8	89%	0.89	82%	0.815	S	S	*	*			cis	56.5	107.7	40.9	-54.1	175.5	0	0	0	110.8
4	G	27	Very low	27.5	Very low	73 Å²	73	131.2 Å²	131.2	75%	0.753	81%	0.808	S	S	*	*			cis	-178.4	-169.6	-0.9	0	0	0	0	0	113.3
5	C	25.5	Very low	27.9	Very low	139 Å²	139	132.8 Å²	132.8	94%	0.939	80%	0.803	S	S	*	*			trans	-55.4	156.3	175.5	-49.8	0	0	0	0	112.9
6	G	25.8	Very low	28.2	Very low	64 Å²	64	133.6 Å²	133.6	66%	0.66	80%	0.795	S	S	*	*			cis	140.7	174.2	-2.9	0	0	0	0	0	113
7	S	25.6	Very low	28.3	Very low	117 Å²	117	133.2 Å²	133.2	82%	0.818	79%	0.794	S	S	*	*			trans	70	148.5	157.7	78.5	0	0	0	0	122.1
8	K	26.5	Very low	28.5	Very low	191 Å²	191	132.3 Å²	132.3	83%	0.83	79%	0.789	S	S	*	*			trans	89.4	151.8	151.6	-76	-167	172.7	-168.6	0	122.5
9	E	27.9	Very low	29.3	Very low	167 Å²	167	131.8 Å²	131.8	78%	0.78	79%	0.79	S	S	*	*			trans	-83.5	148.5	178.2	-38.1	109	112.5	0	0	113.1
10	S	23.1	Very low	29.6	Very low	107 Å²	107	129.4 Å²	129.4	75%	0.748	78%	0.784	S	S	*	*			trans	-175.1	125.2	146.1	49.5	0	0	0	0	107
11	V	26	Very low	29.8	Very low	131 Å²	131	128.9 Å²	128.9	79%	0.794	78%	0.782	S	S	*	*				69.5	134.9	67.6	176.5	0	0	0	0	112.6
12	S	24.8	Very low	29.8	Very low	104 Å²	104	124.5 Å²	124.5	73%	0.727	76%	0.763	S	S	*	*			trans	71.1	157.2	174.4	-74.3	0	0	0	0	118
13	C	27.7	Very low	29.8	Very low	99 Å²	99	124 Å²	124	67%	0.669	75%	0.754	S	S	*	*			cis	-179.9	179	-38.3	-109.5	0	0	0	0	107.8
14	D	32.8	Very low	29.9	Very low	136 Å²	136	122.3 Å²	122.3	73%	0.727	75%	0.745	S	S	*	*			trans	70	154.7	156.7	-52.4	-38.5	0	0	0	116.6
15	Q	33	Very low	30.2	Very low	155 Å²	155	126.4 Å²	126.4	72%	0.724	75%	0.745	S	S	*	*			cis	-139.2	161.6	9.3	-150.3	150.8	9.6	0	0	114.2
16	E	32.7	Very low	30.6	Very low	145 Å²	145	126.2 Å²	126.2	68%	0.678	74%	0.739	S	S	*	*			trans	-28.1	166	161.1	-52.4	167.9	102	0	0	115.7
17	V	29.7	Very low	30.7	Very low	128 Å²	128	126.2 Å²	126.2	78%	0.776	74%	0.739	S	S	*	*				-153.2	161	63.7	169.3	0	0	0	0	113.4
18	T	31.6	Very low	31	Very low	116 Å²	116	125.7 Å²	125.7	71%	0.712	74%	0.742	S	S	*	*			trans	-66.5	-174.6	177.3	54	0	0	0	0	112.9
19	P	44.7	Very low	31.2	Very low	124 Å²	124	120.6 Å²	120.6	81%	0.805	74%	0.736	S	S	*	*			cis	-145	-172.2	18.9	44.2	-21.8	0	0	0	119.6
20	A	34	Very low	31.3	Very low	82 Å²	82	118.9 Å²	118.9	68%	0.678	74%	0.737	S	S	*	*			trans	-79	-170.4	-176.9	0	0	0	0	0	113.8
21	T	34.7	Very low	31.5	Very low	120 Å²	120	123 Å²	123	74%	0.736	74%	0.744	S	S	*	*			cis	-170.2	177	25.8	-18.2	0	0	0	0	112.5
22	L	32.2	Very low	31.8	Very low	153 Å²	153	124.4 Å²	124.4	80%	0.801	75%	0.747	S	S	*	*			trans	70.8	152.1	161.1	-89.5	74.2	0	0	0	118.5
23	S	31.5	Very low	32.1	Very low	84 Å²	84	129 Å²	129	59%	0.587	76%	0.757	S	S	*	*			cis	-178.2	168.2	-24.1	50.4	0	0	0	0	113.7
24	N	30.6	Very low	32.6	Very low	133 Å²	133	133 Å²	133	71%	0.711	77%	0.766	S	S	*	*			trans	71.8	155.9	161.5	-67.9	26.8	0	0	0	117.4
25	E	35	Very low	32.5	Very low	160 Å²	160	133.9 Å²	133.9	75%	0.748	77%	0.77	S	S	*	*			cis	-171.7	168.5	-11.5	-106	-177	110.7	0	0	108.1
26	V	32.8	Very low	32.5	Very low	135 Å²	135	134 Å²	134	82%	0.818	77%	0.77	S	S	*	*			cis	-164.6	168.5	-22.3	78.4	0	0	0	0	109.5
27	G	28	Very low	33.4	Very low	63 Å²	63	134.5 Å²	134.5	65%	0.649	78%	0.776	S	S	*	*			trans	114	105.7	165.9	0	0	0	0	0	114.4
28	A	31	Very low	33.8	Very low	107 Å²	107	137.7 Å²	137.7	88%	0.884	78%	0.779	S	S	*	*				82	134.2	62.8	0	0	0	0	0	113.3
29	A	30.5	Very low	34.1	Very low	84 Å²	84	137.4 Å²	137.4	69%	0.694	78%	0.778	S	S	*	*			cis	-151.7	154.3	14.9	0	0	0	0	0	116
30	T	31.5	Very low	34.5	Very low	131 Å²	131	138.8 Å²	138.8	80%	0.804	78%	0.784	S	S	*	*			trans	50.1	117.9	147.4	54.5	0	0	0	0	122.8
31	Q	27.8	Very low	35.3	Very low	192 Å²	192	144.1 Å²	144.1	90%	0.897	79%	0.786	S	S	*	*				-163	161.5	99.9	-105.9	-177.8	-6.5	0	0	111.5
32	N	31.6	Very low	36.1	Very low	161 Å²	161	143.9 Å²	143.9	86%	0.861	79%	0.785	S	S	*	*			trans	-109.7	140.1	-178	-74.5	-5.3	0	0	0	111.7
33	E	30.3	Very low	37	Very low	201 Å²	201	140.7 Å²	140.7	94%	0.939	78%	0.775	S	S	*	*				-173.6	159.4	124.2	-105.9	-178.7	154.7	0	0	111.1
34	E	38.3	Very low	38.1	Very low	184 Å²	184	145.1 Å²	145.1	86%	0.86	78%	0.784	S	S	*	*			trans	-98.6	142.5	-178.8	-57.9	179.8	102.4	0	0	112.2
35	L	31.1	Very low	39.4	Very low	154 Å²	154	142.3 Å²	142.3	81%	0.806	77%	0.774	S	S	*	*				-169.7	137.9	126.1	-132.9	66.3	0	0	0	117.3
36	H	32.9	Very low	40.6	Very low	157 Å²	157	140.4 Å²	140.4	73%	0.727	77%	0.768	S	S	*	*			trans	38.9	102.4	151	-74.5	-39.2	0	0	0	124.5
37	I	51.2	Low	42.1	Very low	155 Å²	155	139.7 Å²	139.7	80%	0.795	76%	0.759	S	S	*	*				12.9	114.9	124.1	-52	173.2	0	0	0	118.6
38	K	38.8	Very low	44	Very low	196 Å²	196	139 Å²	139	85%	0.852	75%	0.747	S	S	*	*			trans	-178	142.1	140.4	-104	154.7	-172.5	170.2	0	108.4
39	T	38.3	Very low	46	Very low	110 Å²	110	137.5 Å²	137.5	68%	0.675	73%	0.73	S	S	*	*			cis	-150.9	131	9.7	-50.4	0	0	0	0	111.5	R41	T39-R41 HydrophobicContact CG2-CB 3.89Å
40	T	52.2	Low	48.2	Very low	152 Å²	152	138.7 Å²	138.7	93%	0.933	72%	0.724	S	S	*	*			trans	-108.5	88.9	169.1	36.2	0	0	0	0	111.3
41	R	50.3	Low	50.6	Low	194 Å²	194	136.7 Å²	136.7	73%	0.732	71%	0.712	S	S	*	*			trans	-138.7	-26.2	-175.3	-155	171	-172.2	177.7	2	116.6	T39 C45	T39-R41 HydrophobicContact CG2-CB 3.89Å; R41-C45 PolarHBondContact O-SG 3.08Å; R41-C45 VanDerWaalsContact O-SG 3.42Å
42	T	51.2	Low	53.2	Low	116 Å²	116	135.4 Å²	135.4	71%	0.712	70%	0.703	S	S	*	*	H	α-helix	trans	-72.7	-48.8	-173.3	43.3	0	0	0	0	114.4	K44 C45 L46	T42-K44 PolarHBondContact O-N 3.37Å; T42-C45 PolarHBondContact O-N 3.43Å; T42-C45 VanDerWaalsContact O-N 3.16Å; T42-L46 PolarHBondContact O-N 2.87Å
43	S	52.7	Low	55.7	Low	85 Å²	85	132.4 Å²	132.4	59%	0.594	69%	0.687	S	S	*	*	H	α-helix	trans	-59.1	-44	-176	169.9	0	0	0	0	113.4	C45 L46 L47	S43-C45 VanDerWaalsContact C-N 3.31Å; S43-C45 PolarHBondContact O-N 3.16Å; S43-L46 PolarHBondContact O-N 3.04Å; S43-L47 PolarHBondContact O-N 2.77Å; S43-L47 VanDerWaalsContact O-N 3.13Å
44	K	54.7	Low	58.3	Low	178 Å²	178	129.2 Å²	129.2	77%	0.774	67%	0.67	S	S	*	*	H	α-helix	trans	-65.3	-31.5	178.1	-68.9	-171.5	176.7	-175.6	0	113.1	T42 A48	T42-K44 PolarHBondContact O-N 3.37Å; K44-A48 WeakPolarHBondContact O-CB 3.33Å; K44-A48 PolarHBondContact O-N 3.05Å; K44-A48 VanDerWaalsContact O-N 3.12Å
45	C	57	Low	60.7	Low	73 Å²	73	124.6 Å²	124.6	49%	0.493	65%	0.654	S	S	.	*	H	α-helix	trans	-69.6	-42.5	174.5	-69.8	0	0	0	0	111.9	R41 T42 S43 A48 S49	R41-C45 PolarHBondContact O-SG 3.08Å; R41-C45 VanDerWaalsContact O-SG 3.42Å; T42-C45 PolarHBondContact O-N 3.43Å; T42-C45 VanDerWaalsContact O-N 3.16Å; S43-C45 VanDerWaalsContact C-N 3.31Å; S43-C45 PolarHBondContact O-N 3.16Å; C45-A48 PolarHBondContact O-N 2.91Å; C45-S49 WeakPolarHBondContact O-CB 3.4Å; C45-S49 PolarHBondContact O-N 2.9Å; C45-S49 PolarHBondContact O-OG 3.49Å
46	L	59.9	Low	63.5	Low	121 Å²	121	123.5 Å²	123.5	63%	0.634	64%	0.643	S	S	*	*	H	α-helix	trans	-61.6	-45.5	177	-83.7	160.4	0	0	0	112.2	T42 S43 A48 S49 L50	T42-L46 PolarHBondContact O-N 2.87Å; S43-L46 PolarHBondContact O-N 3.04Å; L46-A48 PolarHBondContact O-N 3.2Å; L46-S49 PolarHBondContact O-N 3.07Å; L46-L50 WeakPolarHBondContact O-CG 3.42Å; L46-L50 PolarHBondContact O-N 3.48Å
47	L	63.9	Low	66.1	Low	120 Å²	120	120.7 Å²	120.7	63%	0.628	63%	0.633	S	S	*	*	H	α-helix	trans	-62.2	-43.6	176.1	-127.9	81.6	0	0	0	111.8	S43 L50 V51	S43-L47 PolarHBondContact O-N 2.77Å; S43-L47 VanDerWaalsContact O-N 3.13Å; L47-L50 PolarHBondContact O-N 2.65Å; L47-V51 WeakPolarHBondContact O-CG2 3.41Å; L47-V51 PolarHBondContact O-N 2.02Å
48	A	69.6	Low	68	Low	47 Å²	47	117.8 Å²	117.8	39%	0.388	62%	0.618	S	S	.	*	H	α-helix	trans	-62.8	-43.1	177.4	0	0	0	0	0	112.3	K44 C45 L46 L50 V51 F52	K44-A48 WeakPolarHBondContact O-CB 3.33Å; K44-A48 PolarHBondContact O-N 3.05Å; K44-A48 VanDerWaalsContact O-N 3.12Å; C45-A48 PolarHBondContact O-N 2.91Å; L46-A48 PolarHBondContact O-N 3.2Å; A48-L50 PolarHBondContact O-N 3.15Å; A48-V51 PolarHBondContact O-N 3.42Å; A48-F52 WeakPolarHBondContact O-CD2 3.27Å; A48-F52 PolarHBondContact O-N 3.41Å
49	S	72.3	Confident	70.4	Confident	77 Å²	77	110.8 Å²	110.8	54%	0.538	60%	0.597	S	S	.	*	H	α-helix	trans	-63.2	-38.6	176.2	-67.6	0	0	0	0	112.7	C45 L46 F52 L53	C45-S49 WeakPolarHBondContact O-CB 3.4Å; C45-S49 PolarHBondContact O-N 2.9Å; C45-S49 PolarHBondContact O-OG 3.49Å; L46-S49 PolarHBondContact O-N 3.07Å; S49-F52 PolarHBondContact O-N 3.48Å; S49-L53 WeakPolarHBondContact O-CB 3.4Å; S49-L53 PolarHBondContact O-N 3.17Å
50	L	77.4	Confident	72.9	Confident	109 Å²	109	107.9 Å²	107.9	57%	0.571	58%	0.579	S	S	*	*	H	α-helix	trans	-66.8	-40.4	175.4	-72.2	168.7	0	0	0	112.1	L46 L47 A48 L53 F54	L46-L50 WeakPolarHBondContact O-CG 3.42Å; L46-L50 PolarHBondContact O-N 3.48Å; L47-L50 PolarHBondContact O-N 2.65Å; A48-L50 PolarHBondContact O-N 3.15Å; L50-L53 PolarHBondContact O-N 2.9Å; L50-F54 WeakPolarHBondContact O-CB 3.37Å; L50-F54 PolarHBondContact O-N 3.13Å
51	V	80.9	Confident	74.7	Confident	89 Å²	89	103.4 Å²	103.4	54%	0.539	56%	0.557	S	S	.	*	H	α-helix	trans	-64.7	-43.8	173.9	172.1	0	0	0	0	111.2	L47 A48 L53 F54 V55	L47-V51 WeakPolarHBondContact O-CG2 3.41Å; L47-V51 PolarHBondContact O-N 2.02Å; A48-V51 PolarHBondContact O-N 3.42Å; V51-L53 PolarHBondContact O-N 3.28Å; V51-F54 PolarHBondContact O-N 3.28Å; V51-V55 HydrophobicContact CG1-CG2 4.45Å; V51-V55 WeakPolarHBondContact O-CG2 3.29Å; V51-V55 PolarHBondContact O-N 3.03Å
52	F	83.3	Confident	76.6	Confident	164 Å²	164	96.9 Å²	96.9	72%	0.719	55%	0.545	S	S	*	.	H	α-helix	trans	-61.2	-42	174.6	-98.8	-81.2	0	0	0	112.4	A48 S49 F56	A48-F52 WeakPolarHBondContact O-CD2 3.27Å; A48-F52 PolarHBondContact O-N 3.41Å; S49-F52 PolarHBondContact O-N 3.48Å; F52-F56 VanDerWaalsContact O-CB 3.25Å; F52-F56 WeakPolarHBondContact O-CB 3.49Å; F52-F56 PolarHBondContact O-N 2.58Å
53	L	83.3	Confident	78.3	Confident	98 Å²	98	95.4 Å²	95.4	51%	0.513	54%	0.536	S	S	.	.	H	α-helix	trans	-62.6	-43.1	175.8	-170.1	76.6	0	0	0	111.4	S49 L50 V51 F56 L57	S49-L53 WeakPolarHBondContact O-CB 3.4Å; S49-L53 PolarHBondContact O-N 3.17Å; L50-L53 PolarHBondContact O-N 2.9Å; V51-L53 PolarHBondContact O-N 3.28Å; L53-F56 PolarHBondContact O-N 2.99Å; L53-L57 HydrophobicContact CG-CD1 4.19Å; L53-L57 WeakPolarHBondContact O-CB 3.03Å; L53-L57 VanDerWaalsContact O-CG 3.29Å; L53-L57 WeakPolarHBondContact O-CG 3.23Å; L53-L57 PolarHBondContact O-N 2.95Å
54	F	85.8	Confident	79.9	Confident	134 Å²	134	95.5 Å²	95.5	59%	0.588	53%	0.529	S	S	*	.	H	α-helix	trans	-66.6	-43.5	179.1	-172.6	-109.7	0	0	0	112.4	L50 V51 F56 L57 I58	L50-F54 WeakPolarHBondContact O-CB 3.37Å; L50-F54 PolarHBondContact O-N 3.13Å; V51-F54 PolarHBondContact O-N 3.28Å; F54-F56 VanDerWaalsContact C-N 3.34Å; F54-F56 PolarHBondContact O-N 2.65Å; F54-L57 PolarHBondContact O-N 2.95Å; F54-I58 HydrophobicContact CD1-CD1 3.86Å; F54-I58 HydrophobicContact CE1-CD1 3.44Å; F54-I58 VanDerWaalsContact CE1-CD1 3.44Å; F54-I58 HydrophobicContact CE1-CG1 4.49Å; F54-I58 HydrophobicContact CE2-CD1 4.46Å; F54-I58 HydrophobicContact CZ-CD1 3.78Å; F54-I58 WeakPolarHBondContact O-CG1 3.38Å; F54-I58 PolarHBondContact O-N 3.31Å
55	V	88.3	Confident	81.4	Confident	87 Å²	87	89.1 Å²	89.1	53%	0.527	51%	0.51	S	S	.	.	H	α-helix	trans	-63.5	-39.9	173.8	172.2	0	0	0	0	111.2	V51 I58 A59	V51-V55 HydrophobicContact CG1-CG2 4.45Å; V51-V55 WeakPolarHBondContact O-CG2 3.29Å; V51-V55 PolarHBondContact O-N 3.03Å; V55-I58 PolarHBondContact O-N 2.99Å; V55-A59 WeakPolarHBondContact O-CB 3.39Å; V55-A59 PolarHBondContact O-N 2.84Å
56	F	89.3	Confident	82.9	Confident	132 Å²	132	92.4 Å²	92.4	58%	0.579	51%	0.512	S	S	*	.	H	α-helix	trans	-64.1	-43.6	174.5	-179.6	-98.8	0	0	0	112.1	F52 L53 F54 I58 A59 V60	F52-F56 VanDerWaalsContact O-CB 3.25Å; F52-F56 WeakPolarHBondContact O-CB 3.49Å; F52-F56 PolarHBondContact O-N 2.58Å; L53-F56 PolarHBondContact O-N 2.99Å; F54-F56 VanDerWaalsContact C-N 3.34Å; F54-F56 PolarHBondContact O-N 2.65Å; F56-I58 PolarHBondContact O-N 2.86Å; F56-A59 PolarHBondContact O-N 2.04Å; F56-V60 HydrophobicContact CD1-CG2 4.14Å; F56-V60 HydrophobicContact CE1-CG2 3.73Å; F56-V60 HydrophobicContact CE2-CG2 4.17Å; F56-V60 HydrophobicContact CZ-CG2 3.75Å; F56-V60 WeakPolarHBondContact O-CB 3.05Å; F56-V60 WeakPolarHBondContact O-CG2 3.25Å; F56-V60 PolarHBondContact O-N 2.9Å
57	L	88.8	Confident	84.1	Confident	98 Å²	98	91.1 Å²	91.1	51%	0.513	50%	0.5	S	S	.	.	H	α-helix	trans	-64.6	-38.1	176.2	-74	169.6	0	0	0	112.3	L53 F54 V60 A61	L53-L57 HydrophobicContact CG-CD1 4.19Å; L53-L57 WeakPolarHBondContact O-CB 3.03Å; L53-L57 VanDerWaalsContact O-CG 3.29Å; L53-L57 WeakPolarHBondContact O-CG 3.23Å; L53-L57 PolarHBondContact O-N 2.95Å; F54-L57 PolarHBondContact O-N 2.95Å; L57-V60 PolarHBondContact O-N 3.38Å; L57-A61 VanDerWaalsContact O-CB 3.26Å; L57-A61 WeakPolarHBondContact O-CB 3Å; L57-A61 PolarHBondContact O-N 3.35Å
58	I	90.9	Very high	84.9	Confident	93 Å²	93	91.4 Å²	91.4	48%	0.477	50%	0.496	S	S	.	.	H	α-helix	trans	-64.7	-43.1	171.6	-72.1	173	0	0	0	110.8	F54 V55 F56 V60 A61 A62	F54-I58 HydrophobicContact CD1-CD1 3.86Å; F54-I58 HydrophobicContact CE1-CD1 3.44Å; F54-I58 VanDerWaalsContact CE1-CD1 3.44Å; F54-I58 HydrophobicContact CE1-CG1 4.49Å; F54-I58 HydrophobicContact CE2-CD1 4.46Å; F54-I58 HydrophobicContact CZ-CD1 3.78Å; F54-I58 WeakPolarHBondContact O-CG1 3.38Å; F54-I58 PolarHBondContact O-N 3.31Å; V55-I58 PolarHBondContact O-N 2.99Å; F56-I58 PolarHBondContact O-N 2.86Å; I58-V60 PolarHBondContact O-N 3.03Å; I58-A61 PolarHBondContact O-N 3.11Å; I58-A62 VanDerWaalsContact O-CB 3.25Å; I58-A62 WeakPolarHBondContact O-CB 3.48Å; I58-A62 PolarHBondContact O-N 2.84Å
59	A	89.4	Confident	85.3	Confident	50 Å²	50	95.4 Å²	95.4	41%	0.413	51%	0.51	S	S	.	.	H	α-helix	trans	-63.5	-41.1	177.4	0	0	0	0	0	112.1	V55 F56 A62 T63	V55-A59 WeakPolarHBondContact O-CB 3.39Å; V55-A59 PolarHBondContact O-N 2.84Å; F56-A59 PolarHBondContact O-N 2.04Å; A59-A62 PolarHBondContact O-N 2.03Å; A59-T63 WeakPolarHBondContact O-CG2 3.38Å; A59-T63 PolarHBondContact O-N 3.45Å; A59-T63 PolarHBondContact O-OG1 2.98Å; A59-T63 VanDerWaalsContact O-OG1 3.08Å
60	V	90.1	Very high	85.7	Confident	48 Å²	48	95.3 Å²	95.3	29%	0.291	50%	0.501	S	S	.	.	H	α-helix	trans	-67.4	-43.2	174.5	170.5	0	0	0	0	111.3	F56 L57 I58 A62 T63 L64	F56-V60 HydrophobicContact CD1-CG2 4.14Å; F56-V60 HydrophobicContact CE1-CG2 3.73Å; F56-V60 HydrophobicContact CE2-CG2 4.17Å; F56-V60 HydrophobicContact CZ-CG2 3.75Å; F56-V60 WeakPolarHBondContact O-CB 3.05Å; F56-V60 WeakPolarHBondContact O-CG2 3.25Å; F56-V60 PolarHBondContact O-N 2.9Å; L57-V60 PolarHBondContact O-N 3.38Å; I58-V60 PolarHBondContact O-N 3.03Å; V60-A62 VanDerWaalsContact C-N 3.31Å; V60-A62 PolarHBondContact O-N 3Å; V60-T63 PolarHBondContact O-N 3.06Å; V60-T63 PolarHBondContact O-OG1 3.34Å; V60-L64 HydrophobicContact CG1-CD1 3.75Å; V60-L64 HydrophobicContact CG1-CG 4.28Å; V60-L64 VanDerWaalsContact O-CB 3.3Å; V60-L64 WeakPolarHBondContact O-CB 3.44Å; V60-L64 WeakPolarHBondContact O-CG 3.14Å; V60-L64 PolarHBondContact O-N 2.75Å
61	A	89.2	Confident	85.7	Confident	58 Å²	58	94.4 Å²	94.4	48%	0.479	49%	0.491	S	S	.	.	H	α-helix	trans	-62.5	-39.4	175.3	0	0	0	0	0	111.8	L57 I58 A65	L57-A61 VanDerWaalsContact O-CB 3.26Å; L57-A61 WeakPolarHBondContact O-CB 3Å; L57-A61 PolarHBondContact O-N 3.35Å; I58-A61 PolarHBondContact O-N 3.11Å; A61-A65 WeakPolarHBondContact O-CB 2.91Å; A61-A65 PolarHBondContact O-N 2.87Å
62	A	89.8	Confident	85.6	Confident	57 Å²	57	91.2 Å²	91.2	47%	0.471	47%	0.472	S	S	.	.	H	α-helix	trans	-69.6	-41.8	177.3	0	0	0	0	0	112.7	I58 A59 V60 A65 W66	I58-A62 VanDerWaalsContact O-CB 3.25Å; I58-A62 WeakPolarHBondContact O-CB 3.48Å; I58-A62 PolarHBondContact O-N 2.84Å; A59-A62 PolarHBondContact O-N 2.03Å; V60-A62 VanDerWaalsContact C-N 3.31Å; V60-A62 PolarHBondContact O-N 3Å; A62-A65 PolarHBondContact O-N 3.08Å; A62-W66 WeakPolarHBondContact O-CB 3.39Å; A62-W66 PolarHBondContact O-N 2.89Å
63	T	87.7	Confident	85.4	Confident	86 Å²	86	84 Å²	84	53%	0.528	44%	0.442	S	S	.	.	H	α-helix	trans	-70.7	-35.8	176.2	54	0	0	0	0	112.2	A59 V60 Y67	A59-T63 WeakPolarHBondContact O-CG2 3.38Å; A59-T63 PolarHBondContact O-N 3.45Å; A59-T63 PolarHBondContact O-OG1 2.98Å; A59-T63 VanDerWaalsContact O-OG1 3.08Å; V60-T63 PolarHBondContact O-N 3.06Å; V60-T63 PolarHBondContact O-OG1 3.34Å; T63-Y67 WeakPolarHBondContact O-CB 3.36Å; T63-Y67 PolarHBondContact O-N 3.46Å
64	L	86.3	Confident	85.1	Confident	86 Å²	86	81.4 Å²	81.4	45%	0.45	43%	0.425	S	S	.	.	H	α-helix	trans	-67.3	-42.2	171.7	-69.8	173.2	0	0	0	111.9	V60 Y67 F68	V60-L64 HydrophobicContact CG1-CD1 3.75Å; V60-L64 HydrophobicContact CG1-CG 4.28Å; V60-L64 VanDerWaalsContact O-CB 3.3Å; V60-L64 WeakPolarHBondContact O-CB 3.44Å; V60-L64 WeakPolarHBondContact O-CG 3.14Å; V60-L64 PolarHBondContact O-N 2.75Å; L64-Y67 PolarHBondContact O-N 2.82Å; L64-F68 HydrophobicContact CD2-CE2 4.21Å; L64-F68 WeakPolarHBondContact O-CB 3.43Å; L64-F68 VanDerWaalsContact O-CD2 3.29Å; L64-F68 WeakPolarHBondContact O-CD2 3.43Å; L64-F68 PolarHBondContact O-N 2.03Å
65	A	85.9	Confident	84.6	Confident	45 Å²	45	79.1 Å²	79.1	37%	0.372	42%	0.422	S	S	.	.	H	α-helix	trans	-63	-45.6	175.7	0	0	0	0	0	111.5	A61 A62 Y67 F68 L69	A61-A65 WeakPolarHBondContact O-CB 2.91Å; A61-A65 PolarHBondContact O-N 2.87Å; A62-A65 PolarHBondContact O-N 3.08Å; A65-Y67 VanDerWaalsContact C-N 3.34Å; A65-Y67 PolarHBondContact O-N 3.42Å; A65-F68 PolarHBondContact O-N 3.41Å; A65-L69 HydrophobicContact CB-CD1 4.47Å; A65-L69 WeakPolarHBondContact O-CB 3.39Å; A65-L69 WeakPolarHBondContact O-CG 3.38Å; A65-L69 PolarHBondContact O-N 2.9Å
66	W	89.1	Confident	83.8	Confident	141 Å²	141	79.7 Å²	79.7	53%	0.534	42%	0.422	S	S	.	.	H	α-helix	trans	-61.1	-42.2	172.7	177.9	74.8	0	0	0	111.7	A62 E70 Y71	A62-W66 WeakPolarHBondContact O-CB 3.39Å; A62-W66 PolarHBondContact O-N 2.89Å; W66-E70 CarbonylContact O-C 3.53Å; W66-E70 WeakPolarHBondContact O-CA 3.04Å; W66-E70 WeakPolarHBondContact O-CB 3.06Å; W66-E70 PolarHBondContact O-N 2.87Å; W66-Y71 AromaticContact CH2-CD2 3.83Å; W66-Y71 HydrophobicContact CH2-CD2 3.83Å; W66-Y71 HydrophobicContact CH2-CG 4.33Å; W66-Y71 HydrophobicContact CZ2-CD2 4.32Å; W66-Y71 HydrophobicContact CZ3-CD2 4.36Å; W66-Y71 HydrophobicContact CZ3-CG 4.46Å; W66-Y71 PolarHBondContact O-N 2.75Å
67	Y	84.6	Confident	83.3	Confident	95 Å²	95	75.7 Å²	75.7	37%	0.373	41%	0.405	S	S	.	.	I	π-helix	trans	-62	-47.8	178.2	-177.3	-96.7	0	0	0	112.4	T63 L64 A65 Y71 S72	T63-Y67 WeakPolarHBondContact O-CB 3.36Å; T63-Y67 PolarHBondContact O-N 3.46Å; L64-Y67 PolarHBondContact O-N 2.82Å; A65-Y67 VanDerWaalsContact C-N 3.34Å; A65-Y67 PolarHBondContact O-N 3.42Å; Y67-Y71 AromaticContact CD2-CD1 3.74Å; Y67-Y71 HydrophobicContact CD2-CD1 3.74Å; Y67-Y71 HydrophobicContact CD2-CG 4.28Å; Y67-Y71 AromaticContact CE2-CD1 3.58Å; Y67-Y71 HydrophobicContact CE2-CD1 3.58Å; Y67-Y71 HydrophobicContact CE2-CE1 4.08Å; Y67-Y71 PolarHBondContact O-N 2.87Å; Y67-S72 WeakPolarHBondContact O-CB 3.26Å; Y67-S72 PolarHBondContact O-N 2.8Å; Y67-S72 PolarHBondContact O-OG 3.49Å; Y67-S72 VanDerWaalsContact O-OG 3.07Å
68	F	80.9	Confident	82.9	Confident	126 Å²	126	75.5 Å²	75.5	55%	0.553	41%	0.41	S	S	*	.	I	π-helix	trans	-84.5	-24.6	-175.2	-77	-66.3	0	0	0	115.3	L64 A65 S72	L64-F68 HydrophobicContact CD2-CE2 4.21Å; L64-F68 WeakPolarHBondContact O-CB 3.43Å; L64-F68 VanDerWaalsContact O-CD2 3.29Å; L64-F68 WeakPolarHBondContact O-CD2 3.43Å; L64-F68 PolarHBondContact O-N 2.03Å; A65-F68 PolarHBondContact O-N 3.41Å; F68-S72 WeakPolarHBondContact CA-OG 3.03Å; F68-S72 PolarHBondContact O-OG 2.72Å; F68-S72 VanDerWaalsContact O-OG 3.09Å
69	L	78.1	Confident	82.4	Confident	131 Å²	131	78 Å²	78	69%	0.686	41%	0.413	S	S	*	.	I	π-helix	trans	-100.8	-22.9	-179.5	-58.2	175.3	0	0	0	113.2	A65	A65-L69 HydrophobicContact CB-CD1 4.47Å; A65-L69 WeakPolarHBondContact O-CB 3.39Å; A65-L69 WeakPolarHBondContact O-CG 3.38Å; A65-L69 PolarHBondContact O-N 2.9Å
70	E	80.3	Confident	82	Confident	75 Å²	75	78.4 Å²	78.4	35%	0.35	41%	0.41	S	S	.	.	I	π-helix	trans	-130.8	-40.1	-171	-158.2	153.2	-133.2	0	0	114.2	W66 W74 R129	W66-E70 CarbonylContact O-C 3.53Å; W66-E70 WeakPolarHBondContact O-CA 3.04Å; W66-E70 WeakPolarHBondContact O-CB 3.06Å; W66-E70 PolarHBondContact O-N 2.87Å; E70-W74 WeakPolarHBondContact O-CB 3.36Å; E70-R129 IonicContact OE1-CZ 3.31Å; E70-R129 IonicContact OE1-NH1 2.92Å; E70-R129 PolarHBondContact OE1-NH1 3.03Å; E70-R129 IonicContact OE1-NH2 2.75Å; E70-R129 PolarHBondContact OE1-NH2 2.78Å
71	Y	78.9	Confident	81.8	Confident	89 Å²	89	81.2 Å²	81.2	35%	0.349	42%	0.42	S	S	.	.	I	π-helix	trans	-75.6	-56.8	176.4	-171.8	-100.3	0	0	0	112.4	W66 Y67 W74 T75 L76	W66-Y71 AromaticContact CH2-CD2 3.83Å; W66-Y71 HydrophobicContact CH2-CD2 3.83Å; W66-Y71 HydrophobicContact CH2-CG 4.33Å; W66-Y71 HydrophobicContact CZ2-CD2 4.32Å; W66-Y71 HydrophobicContact CZ3-CD2 4.36Å; W66-Y71 HydrophobicContact CZ3-CG 4.46Å; W66-Y71 PolarHBondContact O-N 2.75Å; Y67-Y71 AromaticContact CD2-CD1 3.74Å; Y67-Y71 HydrophobicContact CD2-CD1 3.74Å; Y67-Y71 HydrophobicContact CD2-CG 4.28Å; Y67-Y71 AromaticContact CE2-CD1 3.58Å; Y67-Y71 HydrophobicContact CE2-CD1 3.58Å; Y67-Y71 HydrophobicContact CE2-CE1 4.08Å; Y67-Y71 PolarHBondContact O-N 2.87Å; Y71-W74 PolarHBondContact O-N 3.44Å; Y71-T75 HydrophobicContact CE2-CG2 4.05Å; Y71-T75 WeakPolarHBondContact O-CA 3.1Å; Y71-T75 WeakPolarHBondContact O-CB 3.23Å; Y71-T75 PolarHBondContact O-N 3.02Å; Y71-T75 PolarHBondContact O-OG1 3.48Å; Y71-L76 HydrophobicContact CD1-CD1 4.2Å; Y71-L76 HydrophobicContact CD1-CG 4.38Å; Y71-L76 HydrophobicContact CE1-CD1 4.05Å; Y71-L76 HydrophobicContact CE1-CD2 4.24Å; Y71-L76 HydrophobicContact CE1-CG 4.08Å
72	S	78.1	Confident	81.6	Confident	22 Å²	22	79.1 Å²	79.1	15%	0.154	40%	0.401	C	S	.	.	I	π-helix	trans	-60.4	-53.6	-176.4	57.8	0	0	0	0	112.1	Y67 F68 W74 T75 L76 E77	Y67-S72 WeakPolarHBondContact O-CB 3.26Å; Y67-S72 PolarHBondContact O-N 2.8Å; Y67-S72 PolarHBondContact O-OG 3.49Å; Y67-S72 VanDerWaalsContact O-OG 3.07Å; F68-S72 WeakPolarHBondContact CA-OG 3.03Å; F68-S72 PolarHBondContact O-OG 2.72Å; F68-S72 VanDerWaalsContact O-OG 3.09Å; S72-W74 VanDerWaalsContact C-N 3.27Å; S72-W74 PolarHBondContact O-N 3.31Å; S72-T75 PolarHBondContact O-N 2.82Å; S72-L76 WeakPolarHBondContact O-CA 3.3Å; S72-L76 WeakPolarHBondContact O-CB 3.46Å; S72-L76 PolarHBondContact O-N 2.77Å; S72-E77 PolarHBondContact O-N 2.93Å
73	V	78.4	Confident	81.4	Confident	13 Å²	13	77 Å²	77	8%	0.079	38%	0.381	C	S	.	.	I	π-helix	trans	-60.1	-34.2	-176.1	179.2	0	0	0	0	112.3	P155	V73-P155 HydrophobicContact CG1-CB 3.99Å; V73-P155 HydrophobicContact CG1-CG 3.97Å; V73-P155 VanDerWaalsContact O-CB 3.29Å; V73-P155 WeakPolarHBondContact O-CB 3.31Å; V73-P155 WeakPolarHBondContact O-CG 3.49Å
74	W	77.8	Confident	81.4	Confident	43 Å²	43	73 Å²	73	16%	0.163	36%	0.356	C	S	.	.	I	π-helix	trans	-102.9	-17	-175.1	-60.8	83.7	0	0	0	114.4	E70 Y71 S72 R79 R129 Y130 P155	E70-W74 WeakPolarHBondContact O-CB 3.36Å; Y71-W74 PolarHBondContact O-N 3.44Å; S72-W74 VanDerWaalsContact C-N 3.27Å; S72-W74 PolarHBondContact O-N 3.31Å; W74-R79 PolarHBondContact O-NH2 3.39Å; W74-R129 HydrophobicContact CH2-CB 3.38Å; W74-R129 HydrophobicContact CH2-CG 4.23Å; W74-R129 HydrophobicContact CZ2-CB 4.28Å; W74-R129 HydrophobicContact CZ3-CB 3.64Å; W74-Y130 AromaticContact CH2-CD1 3.64Å; W74-Y130 HydrophobicContact CH2-CD1 3.64Å; W74-Y130 AromaticContact CH2-CE1 3.18Å; W74-Y130 HydrophobicContact CH2-CE1 3.18Å; W74-Y130 AromaticContact CH2-CZ 3.73Å; W74-Y130 AromaticContact CZ2-CE1 3.95Å; W74-Y130 HydrophobicContact CZ2-CE1 3.95Å; W74-Y130 AromaticContact CZ3-CD1 3.81Å; W74-Y130 HydrophobicContact CZ3-CD1 3.81Å; W74-Y130 AromaticContact CZ3-CE1 3.76Å; W74-Y130 HydrophobicContact CZ3-CE1 3.76Å; W74-P155 HydrophobicContact CE3-CG 4.48Å
75	T	74.1	Confident	81.2	Confident	86 Å²	86	69 Å²	69	53%	0.528	34%	0.335	S	S	.	.	I	π-helix	trans	-120.3	-28.8	-174.2	-47.8	0	0	0	0	113.9	Y71 S72	Y71-T75 HydrophobicContact CE2-CG2 4.05Å; Y71-T75 WeakPolarHBondContact O-CA 3.1Å; Y71-T75 WeakPolarHBondContact O-CB 3.23Å; Y71-T75 PolarHBondContact O-N 3.02Å; Y71-T75 PolarHBondContact O-OG1 3.48Å; S72-T75 PolarHBondContact O-N 2.82Å
76	L	73.2	Confident	81.2	Confident	99 Å²	99	66.9 Å²	66.9	52%	0.518	32%	0.318	S	S	.	.	I	π-helix	trans	-108	-28.3	-176.8	-57.9	179.2	0	0	0	113.7	Y71 S72	Y71-L76 HydrophobicContact CD1-CD1 4.2Å; Y71-L76 HydrophobicContact CD1-CG 4.38Å; Y71-L76 HydrophobicContact CE1-CD1 4.05Å; Y71-L76 HydrophobicContact CE1-CD2 4.24Å; Y71-L76 HydrophobicContact CE1-CG 4.08Å; S72-L76 WeakPolarHBondContact O-CA 3.3Å; S72-L76 WeakPolarHBondContact O-CB 3.46Å; S72-L76 PolarHBondContact O-N 2.77Å
77	E	78.9	Confident	81.1	Confident	49 Å²	49	64 Å²	64	23%	0.229	31%	0.308	C	S	.	.	S	Bend	trans	-68	140.4	174.7	-78.2	-168.9	-141.6	0	0	112.2	S72 P155 S156 S157	S72-E77 PolarHBondContact O-N 2.93Å; E77-P155 HydrophobicContact CB-CB 4.25Å; E77-P155 WeakPolarHBondContact OE2-CB 3.43Å; E77-S156 PolarHBondContact OE2-N 3.28Å; E77-S157 VanDerWaalsContact OE1-CB 3.3Å; E77-S157 WeakPolarHBondContact OE1-CB 3.48Å; E77-S157 PolarHBondContact OE1-OG 3.07Å; E77-S157 VanDerWaalsContact OE2-CB 3.31Å; E77-S157 WeakPolarHBondContact OE2-CB 3.16Å; E77-S157 PolarHBondContact OE2-N 2.95Å; E77-S157 PolarHBondContact OE2-OG 3.29Å
78	P	79	Confident	81.2	Confident	93 Å²	93	59.6 Å²	59.6	60%	0.604	29%	0.291	S	S	*	.			trans	-62.1	144.5	165.9	27.1	-31.9	0	0	0	109.9	S156	P78-S156 PolarHBondContact O-N 2.03Å; P78-S156 VanDerWaalsContact O-N 3.15Å; P78-S156 PolarHBondContact O-OG 2.9Å
79	R	80.3	Confident	81.5	Confident	146 Å²	146	54.7 Å²	54.7	55%	0.551	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105	128.2	-178.6	-61.3	-173	-173.6	173.9	1.8	110.9	W74 S153 V154	W74-R79 PolarHBondContact O-NH2 3.39Å; R79-S153 WeakPolarHBondContact CD-OG 3.3Å; R79-V154 WeakPolarHBondContact CA-O 3.4Å
80	V	82.3	Confident	82	Confident	58 Å²	58	48.5 Å²	48.5	35%	0.352	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	145.5	171.4	-175.5	0	0	0	0	108.6	V154 V159	V80-V154 PolarHBondContact N-O 3.02Å; V80-V154 PolarHBondContact O-N 2.68Å; V80-V159 HydrophobicContact CB-CG2 3.9Å; V80-V159 HydrophobicContact CG1-CG2 4.34Å; V80-V159 HydrophobicContact CG2-CG2 3.91Å
81	Q	84.6	Confident	82.3	Confident	108 Å²	108	47.8 Å²	47.8	51%	0.505	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	113.5	167.6	-63.9	-168.2	33.1	0	0	109.1	V151 L152	Q81-V151 HydrophobicContact CB-CG1 4.4Å; Q81-L152 WeakPolarHBondContact CA-O 3.48Å
82	Q	84.9	Confident	82.6	Confident	14 Å²	14	47.3 Å²	47.3	7%	0.065	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	136	165.2	-74.7	179.7	-81.7	0	0	108.7	Y84 L152 V159 V162 E203	Q82-Y84 HydrophobicContact CB-CE2 3.83Å; Q82-Y84 PolarHBondContact NE2-OH 3.13Å; Q82-L152 PolarHBondContact N-O 2.92Å; Q82-L152 PolarHBondContact O-N 3.38Å; Q82-V159 HydrophobicContact CG-CG1 4.45Å; Q82-V162 PolarHBondContact NE2-O 2.8Å; Q82-E203 PolarHBondContact NE2-OE1 3.24Å
83	Q	86.9	Confident	82.9	Confident	13 Å²	13	50.4 Å²	50.4	6%	0.061	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	138.2	-172.9	-46	-164.6	25.8	0	0	109.6	V151 T204 S206 V209	Q83-V151 HydrophobicContact CG-CG1 4.44Å; Q83-V151 HydrophobicContact CG-CG2 4.22Å; Q83-T204 PolarHBondContact O-N 2.76Å; Q83-S206 VanDerWaalsContact NE2-CB 3.32Å; Q83-V209 HydrophobicContact CB-CG2 4.43Å; Q83-V209 VanDerWaalsContact OE1-CG2 3.28Å
84	Y	86.8	Confident	83.1	Confident	1 Å²	1	56 Å²	56	0%	0.004	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	127	-175.3	-57.1	-85.8	0	0	0	110.2	Q82 W149 I150 L152 V164 V167 V201 T202 E203	Q82-Y84 HydrophobicContact CB-CE2 3.83Å; Q82-Y84 PolarHBondContact NE2-OH 3.13Å; Y84-W149 CarbonylContact O-C 3.57Å; Y84-W149 WeakPolarHBondContact O-CA 3.14Å; Y84-W149 WeakPolarHBondContact O-CB 3.45Å; Y84-I150 PolarHBondContact N-O 3.06Å; Y84-I150 PolarHBondContact O-N 3.45Å; Y84-L152 HydrophobicContact CD2-CD1 4.34Å; Y84-L152 HydrophobicContact CD2-CG 4.43Å; Y84-L152 HydrophobicContact CE2-CD1 3.81Å; Y84-L152 HydrophobicContact CE2-CG 4.18Å; Y84-V164 HydrophobicContact CD1-CG2 4.13Å; Y84-V164 HydrophobicContact CE1-CG2 3.83Å; Y84-V167 HydrophobicContact CD1-CG2 4.46Å; Y84-V167 HydrophobicContact CD2-CG2 4.11Å; Y84-V167 HydrophobicContact CE1-CG2 4.29Å; Y84-V167 HydrophobicContact CE2-CG2 3.88Å; Y84-V167 HydrophobicContact CG-CG1 4.48Å; Y84-V167 HydrophobicContact CG-CG2 4.4Å; Y84-V201 HydrophobicContact CD1-CG1 4.4Å; Y84-V201 HydrophobicContact CG-CG1 4.47Å; Y84-T202 CarbonylContact C-O 3.57Å; Y84-T202 WeakPolarHBondContact CA-O 3.35Å; Y84-T202 WeakPolarHBondContact CB-O 3.23Å; Y84-E203 HydrophobicContact CD1-CB 4.01Å; Y84-E203 HydrophobicContact CD1-CG 4.18Å; Y84-E203 HydrophobicContact CE1-CB 3.9Å; Y84-E203 HydrophobicContact CE1-CG 3.76Å; Y84-E203 PolarHBondContact OH-OE1 3.18Å
85	T	82.8	Confident	83.2	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	147.3	165.5	55	0	0	0	0	111.2	F137 W149 V201 T202 T204	T85-F137 HydrophobicContact CG2-CE1 4.47Å; T85-W149 HydrophobicContact CG2-CB 4.26Å; T85-V201 WeakPolarHBondContact O-CA 3.43Å; T85-T202 PolarHBondContact N-O 3.43Å; T85-T202 VanDerWaalsContact N-O 3.1Å; T85-T202 PolarHBondContact O-N 3.46Å; T85-T202 PolarHBondContact OG1-OG1 2.82Å; T85-T204 HydrophobicContact CG2-CG2 3.98Å; T85-T204 PolarHBondContact N-OG1 2.84Å; T85-T204 VanDerWaalsContact N-OG1 3.13Å; T85-T204 PolarHBondContact OG1-OG1 2.73Å; T85-T204 VanDerWaalsContact OG1-OG1 3.09Å
86	A	85.8	Confident	83.5	Confident	2 Å²	2	53.7 Å²	53.7	2%	0.017	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	158	-177.4	0	0	0	0	0	111.2	F148 C200 V201	A86-F148 HydrophobicContact CB-CD2 4.03Å; A86-F148 HydrophobicContact CB-CE1 4.26Å; A86-F148 HydrophobicContact CB-CE2 3.52Å; A86-F148 HydrophobicContact CB-CZ 3.65Å; A86-F148 PolarHBondContact N-O 2.88Å; A86-F148 PolarHBondContact O-N 2.73Å; A86-C200 WeakPolarHBondContact CA-O 3.37Å; A86-C200 VanDerWaalsContact CB-O 3.23Å; A86-C200 WeakPolarHBondContact CB-O 3.39Å; A86-V201 HydrophobicContact CB-CB 4.46Å; A86-V201 HydrophobicContact CB-CG1 4.49Å; A86-V201 HydrophobicContact CB-CG2 4.01Å
87	Y	86.5	Confident	83.5	Confident	80 Å²	80	53 Å²	53	31%	0.314	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	155.8	171.9	67	-101.1	0	0	0	111.9	V145 A146 H147 T198 C200 T276	Y87-V145 HydrophobicContact CD2-CG1 4.08Å; Y87-V145 HydrophobicContact CG-CG1 4.48Å; Y87-A146 VanDerWaalsContact CA-O 3.29Å; Y87-A146 WeakPolarHBondContact CA-O 3.36Å; Y87-H147 WeakPolarHBondContact CB-ND1 3.32Å; Y87-T198 WeakPolarHBondContact CD2-O 3.43Å; Y87-T198 VanDerWaalsContact CE2-O 3.25Å; Y87-T198 WeakPolarHBondContact CE2-O 3.45Å; Y87-C200 HydrophobicContact CD1-CB 3.94Å; Y87-C200 HydrophobicContact CE1-CB 3.36Å; Y87-C200 HydrophobicContact CE2-CB 4.06Å; Y87-C200 VanDerWaalsContact CZ-CB 3.41Å; Y87-C200 PolarHBondContact N-O 3.21Å; Y87-C200 PolarHBondContact O-N 3.5Å; Y87-T276 HydrophobicContact CD1-CG2 4.32Å
88	L	87	Confident	83.5	Confident	3 Å²	3	54.1 Å²	54.1	2%	0.016	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	127	-176.5	-176.6	62	0	0	0	111.9	A146 F148 L175 F194 H195 L199	L88-A146 PolarHBondContact N-O 2.91Å; L88-A146 PolarHBondContact O-N 3.47Å; L88-F148 HydrophobicContact CB-CE1 4.06Å; L88-L175 HydrophobicContact CD2-CD1 3.65Å; L88-L175 HydrophobicContact CD2-CD2 4.31Å; L88-F194 HydrophobicContact CD2-CB 3.99Å; L88-F194 HydrophobicContact CD2-CD1 3.4Å; L88-F194 HydrophobicContact CD2-CE1 4.11Å; L88-F194 HydrophobicContact CD2-CG 3.91Å; L88-F194 HydrophobicContact CG-CB 4.26Å; L88-F194 HydrophobicContact CG-CD1 3.83Å; L88-F194 HydrophobicContact CG-CG 4.46Å; L88-H195 WeakPolarHBondContact CD1-O 3.32Å; L88-L199 HydrophobicContact CD1-CB 4.01Å; L88-L199 HydrophobicContact CD1-CD1 4.37Å
89	T	86.9	Confident	83.5	Confident	23 Å²	23	50.1 Å²	50.1	14%	0.141	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	135.9	-179.5	-52.8	0	0	0	0	112.7	V145 F194 H195 T198	T89-V145 HydrophobicContact CG2-CG2 4.32Å; T89-F194 CarbonylContact O-C 3.58Å; T89-F194 WeakPolarHBondContact O-CA 3.25Å; T89-H195 PolarHBondContact O-N 2.04Å; T89-T198 WeakPolarHBondContact CB-OG1 3.41Å; T89-T198 PolarHBondContact OG1-OG1 2.04Å
90	I	88.4	Confident	83	Confident	1 Å²	1	44 Å²	44	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	98.8	177	-54.5	162.7	0	0	0	108.2	N92 R93 V114 V144 A146 F192 L193 F194	I90-N92 VanDerWaalsContact C-N 3.34Å; I90-N92 PolarHBondContact O-N 3.16Å; I90-R93 HydrophobicContact CB-CB 4.49Å; I90-R93 HydrophobicContact CG2-CB 3.98Å; I90-R93 HydrophobicContact CG2-CG 3.59Å; I90-R93 PolarHBondContact O-N 2.96Å; I90-V114 HydrophobicContact CD1-CG2 4.08Å; I90-V144 HydrophobicContact CB-CB 4.48Å; I90-V144 VanDerWaalsContact CB-O 3.3Å; I90-V144 WeakPolarHBondContact CB-O 3.09Å; I90-V144 HydrophobicContact CD1-CG1 4.26Å; I90-V144 PolarHBondContact N-O 3.13Å; I90-V144 PolarHBondContact O-N 3.1Å; I90-A146 HydrophobicContact CD1-CB 4.04Å; I90-F192 HydrophobicContact CD1-CD1 4.11Å; I90-F192 HydrophobicContact CD1-CE1 4.48Å; I90-F192 HydrophobicContact CG2-CB 4.4Å; I90-F192 HydrophobicContact CG2-CD1 3.89Å; I90-L193 CarbonylContact C-O 3.51Å; I90-F194 HydrophobicContact CD1-CE1 4.01Å; I90-F194 HydrophobicContact CG1-CD1 3.73Å; I90-F194 HydrophobicContact CG1-CE1 3.63Å
91	V	85.8	Confident	82.6	Confident	60 Å²	60	43.4 Å²	43.4	36%	0.364	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	-36.4	-168.2	-172.3	0	0	0	0	112.4	R93 S143 T186 L193 H195	V91-R93 VanDerWaalsContact C-N 3.29Å; V91-R93 PolarHBondContact O-N 2.95Å; V91-S143 PolarHBondContact O-OG 2.81Å; V91-T186 HydrophobicContact CG2-CG2 4.3Å; V91-L193 HydrophobicContact CB-CD2 4.27Å; V91-L193 PolarHBondContact N-O 3.23Å; V91-H195 HydrophobicContact CG2-CB 3.76Å
92	N	85.9	Confident	82	Confident	79 Å²	79	39.2 Å²	39.2	42%	0.422	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	16.7	-174.9	76.4	-43.5	0	0	0	114.8	I90 G191 L193	I90-N92 VanDerWaalsContact C-N 3.34Å; I90-N92 PolarHBondContact O-N 3.16Å; N92-G191 PolarHBondContact ND2-O 2.86Å; N92-L193 HydrophobicContact CB-CB 3.97Å; N92-L193 WeakPolarHBondContact OD1-CB 3.31Å; N92-L193 PolarHBondContact OD1-N 3.35Å
93	R	83.9	Confident	81.5	Confident	87 Å²	87	42.4 Å²	42.4	33%	0.328	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	135.4	176.9	-63.7	-60.6	-159.5	141.6	23.7	108.9	I90 V91 E110 S143 V144 F192	I90-R93 HydrophobicContact CB-CB 4.49Å; I90-R93 HydrophobicContact CG2-CB 3.98Å; I90-R93 HydrophobicContact CG2-CG 3.59Å; I90-R93 PolarHBondContact O-N 2.96Å; V91-R93 VanDerWaalsContact C-N 3.29Å; V91-R93 PolarHBondContact O-N 2.95Å; R93-E110 IonicContact CZ-OE1 3.41Å; R93-E110 IonicContact CZ-OE2 3.36Å; R93-E110 IonicContact NH1-OE1 3.2Å; R93-E110 IonicContact NH2-OE1 3.53Å; R93-E110 PolarHBondContact NH2-OE1 3.33Å; R93-E110 IonicContact NH2-OE2 2.75Å; R93-E110 PolarHBondContact NH2-OE2 3.02Å; R93-S143 CarbonylContact O-C 3.51Å; R93-S143 VanDerWaalsContact O-CA 3.26Å; R93-S143 WeakPolarHBondContact O-CA 3.19Å; R93-V144 HydrophobicContact CB-CB 3.98Å; R93-V144 HydrophobicContact CB-CG2 3.75Å; R93-V144 PolarHBondContact O-N 3.16Å; R93-F192 VanDerWaalsContact NH2-CE2 3.35Å
94	N	82.6	Confident	81.3	Confident	131 Å²	131	43.5 Å²	43.5	70%	0.701	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-103.9	143.3	173.9	-69.4	10	0	0	0	110	G142 V144	N94-G142 WeakPolarHBondContact CA-O 3.47Å; N94-V144 VanDerWaalsContact C-CG2 3.41Å
95	F	79.9	Confident	81.3	Confident	35 Å²	35	47.9 Å²	47.9	15%	0.154	27%	0.271	C	S	.	.			trans	-66.9	138.6	177.1	-176.7	-97.4	0	0	0	112.2	L99 A100 F139 G140 Q141 G142 V144 Y221	F95-L99 HydrophobicContact CD2-CB 3.92Å; F95-L99 HydrophobicContact CD2-CD1 4.36Å; F95-L99 HydrophobicContact CE2-CB 3.71Å; F95-L99 HydrophobicContact CZ-CB 4.48Å; F95-A100 HydrophobicContact CZ-CB 4.03Å; F95-F139 HydrophobicContact CD2-CB 4.17Å; F95-F139 HydrophobicContact CE2-CB 4.04Å; F95-F139 VanDerWaalsContact CE2-O 3.26Å; F95-F139 WeakPolarHBondContact CE2-O 3.49Å; F95-G140 VanDerWaalsContact CD2-O 3.26Å; F95-G140 WeakPolarHBondContact CD2-O 3.4Å; F95-Q141 HydrophobicContact CB-CB 4.46Å; F95-Q141 HydrophobicContact CB-CG 4.41Å; F95-Q141 HydrophobicContact CD1-CB 3.99Å; F95-Q141 HydrophobicContact CD1-CG 3.95Å; F95-Q141 HydrophobicContact CE1-CB 4.45Å; F95-Q141 HydrophobicContact CG-CB 4.24Å; F95-Q141 HydrophobicContact CG-CG 4.43Å; F95-G142 PolarHBondContact N-O 3.13Å; F95-V144 HydrophobicContact CB-CG2 4.34Å; F95-Y221 AromaticContact CE1-CD1 3.78Å; F95-Y221 HydrophobicContact CE1-CD1 3.78Å; F95-Y221 AromaticContact CE1-CE1 3.76Å; F95-Y221 HydrophobicContact CE1-CE1 3.76Å; F95-Y221 AromaticContact CZ-CD1 3.62Å; F95-Y221 HydrophobicContact CZ-CD1 3.62Å; F95-Y221 HydrophobicContact CZ-CE1 4.01Å; F95-Y221 HydrophobicContact CZ-CG 4.2Å
96	S	80.4	Confident	81.4	Confident	44 Å²	44	50.5 Å²	50.5	31%	0.308	29%	0.287	S	S	.	.			trans	-125.1	161	170.5	74	0	0	0	0	110.5	D98 L99	S96-D98 PolarHBondContact O-N 3.21Å; S96-D98 VanDerWaalsContact O-N 3.12Å; S96-D98 PolarHBondContact OG-N 3.48Å; S96-L99 WeakPolarHBondContact O-CB 3.11Å; S96-L99 PolarHBondContact O-N 2.96Å
97	A	73.9	Confident	81.5	Confident	85 Å²	85	50.7 Å²	50.7	70%	0.702	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-58.3	-24.4	175.9	0	0	0	0	0	113	L99 A100	A97-L99 PolarHBondContact O-N 3.4Å; A97-A100 WeakPolarHBondContact O-CB 3.01Å; A97-A100 PolarHBondContact O-N 3.02Å
98	D	79.4	Confident	81.5	Confident	73 Å²	73	52 Å²	52	39%	0.39	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-65.9	-21.2	173.7	-59.1	-73.6	0	0	0	114	S96 A100 N104 T106	S96-D98 PolarHBondContact O-N 3.21Å; S96-D98 VanDerWaalsContact O-N 3.12Å; S96-D98 PolarHBondContact OG-N 3.48Å; D98-A100 VanDerWaalsContact C-N 3.34Å; D98-N104 WeakPolarHBondContact CA-ND2 3.26Å; D98-N104 WeakPolarHBondContact CB-ND2 3.36Å; D98-N104 VanDerWaalsContact O-CB 3.25Å; D98-N104 WeakPolarHBondContact O-CB 3.42Å; D98-N104 VanDerWaalsContact O-CG 3.31Å; D98-N104 PolarHBondContact OD1-ND2 2.83Å; D98-T106 HydrophobicContact CB-CG2 4.08Å
99	L	79.1	Confident	81.6	Confident	9 Å²	9	56.4 Å²	56.4	5%	0.047	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-88.1	-1.8	173.8	-60.5	180	0	0	0	112.7	F95 S96 A97 S101 T106 F107 E110 F139 V144	F95-L99 HydrophobicContact CD2-CB 3.92Å; F95-L99 HydrophobicContact CD2-CD1 4.36Å; F95-L99 HydrophobicContact CE2-CB 3.71Å; F95-L99 HydrophobicContact CZ-CB 4.48Å; S96-L99 WeakPolarHBondContact O-CB 3.11Å; S96-L99 PolarHBondContact O-N 2.96Å; A97-L99 PolarHBondContact O-N 3.4Å; L99-S101 VanDerWaalsContact C-N 3.35Å; L99-T106 HydrophobicContact CD2-CG2 3.95Å; L99-F107 WeakPolarHBondContact O-CD2 3.11Å; L99-E110 HydrophobicContact CD2-CB 4.3Å; L99-E110 HydrophobicContact CD2-CG 4.23Å; L99-F139 HydrophobicContact CB-CB 4.08Å; L99-F139 HydrophobicContact CB-CD2 4.12Å; L99-F139 HydrophobicContact CB-CG 4.42Å; L99-F139 HydrophobicContact CD2-CD2 3.96Å; L99-F139 HydrophobicContact CD2-CE2 4.17Å; L99-F139 HydrophobicContact CG-CD2 4.44Å; L99-V144 HydrophobicContact CD1-CG1 4.37Å; L99-V144 HydrophobicContact CD1-CG2 3.89Å
100	A	70.1	Confident	81.7	Confident	18 Å²	18	57.1 Å²	57.1	15%	0.149	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-83.9	-1.9	177.2	0	0	0	0	0	114.2	F95 A97 D98 Y219 Y221	F95-A100 HydrophobicContact CZ-CB 4.03Å; A97-A100 WeakPolarHBondContact O-CB 3.01Å; A97-A100 PolarHBondContact O-N 3.02Å; D98-A100 VanDerWaalsContact C-N 3.34Å; A100-Y219 VanDerWaalsContact O-CD1 3.28Å; A100-Y219 WeakPolarHBondContact O-CD1 3.48Å; A100-Y219 WeakPolarHBondContact O-CE1 3.45Å; A100-Y221 HydrophobicContact CB-CD1 4.36Å
101	S	72.6	Confident	81.7	Confident	45 Å²	45	57.2 Å²	57.2	32%	0.315	33%	0.325	S	S	.	.			trans	-144.2	127.7	-177.3	-173.5	0	0	0	0	113.6	L99 N103 N104 F107	L99-S101 VanDerWaalsContact C-N 3.35Å; S101-N103 PolarHBondContact O-N 3.46Å; S101-N103 VanDerWaalsContact O-N 3.08Å; S101-N104 WeakPolarHBondContact O-CB 3.39Å; S101-N104 PolarHBondContact O-N 2.76Å; S101-N104 VanDerWaalsContact O-N 3.12Å; S101-F107 VanDerWaalsContact O-CB 3.28Å; S101-F107 WeakPolarHBondContact O-CB 3.35Å
102	H	72.9	Confident	82	Confident	20 Å²	20	60.9 Å²	60.9	9%	0.093	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-24.7	175.8	-74.8	82.1	0	0	0	114	F107 K108 F137 F216 Y219	H102-F107 HydrophobicContact CB-CD1 4.5Å; H102-F107 HydrophobicContact CB-CE1 4.45Å; H102-F107 AromaticContact CD2-CE1 3.23Å; H102-F107 WeakPolarHBondContact CD2-CE1 3.04Å; H102-F107 AromaticContact CD2-CZ 3.43Å; H102-F107 VanDerWaalsContact CD2-CZ 3.43Å; H102-F107 WeakPolarHBondContact CD2-CZ 3.38Å; H102-F107 AromaticContact CE1-CZ 3.8Å; H102-F107 AromaticContact CG-CE1 3.88Å; H102-F107 AromaticContact NE2-CE1 3.59Å; H102-F107 AromaticContact NE2-CZ 3.26Å; H102-F107 VanDerWaalsContact NE2-CZ 3.26Å; H102-F107 WeakPolarHBondContact NE2-CZ 3.32Å; H102-K108 WeakPolarHBondContact O-CE 3.47Å; H102-K108 WeakPolarHBondContact O-CG 3.36Å; H102-F137 PolarHBondContact CE1-O 3.41Å; H102-F137 PolarHBondContact NE2-O 2.04Å; H102-F216 AromaticContact CD2-CD1 3.53Å; H102-F216 AromaticContact CD2-CE1 3.91Å; H102-F216 AromaticContact CE1-CD1 3.66Å; H102-F216 AromaticContact NE2-CD1 3.23Å; H102-F216 WeakPolarHBondContact NE2-CD1 3.36Å; H102-F216 AromaticContact NE2-CE1 3.34Å; H102-F216 VanDerWaalsContact NE2-CE1 3.34Å; H102-F216 WeakPolarHBondContact NE2-CE1 3.37Å; H102-Y219 AromaticContact CE1-CD1 3.95Å; H102-Y219 AromaticContact CE1-CD2 3.94Å; H102-Y219 AromaticContact CE1-CG 3.56Å; H102-Y219 WeakPolarHBondContact ND1-CB 3.15Å; H102-Y219 AromaticContact ND1-CD1 3.68Å; H102-Y219 AromaticContact ND1-CG 3.43Å
103	N	74	Confident	82.2	Confident	80 Å²	80	60.1 Å²	60.1	43%	0.428	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-21	-178.2	-81.3	-52.3	0	0	0	113.7	S101	S101-N103 PolarHBondContact O-N 3.46Å; S101-N103 VanDerWaalsContact O-N 3.08Å
104	N	83.4	Confident	82.5	Confident	37 Å²	37	56 Å²	56	20%	0.198	31%	0.313	C	S	.	.	S	Bend	trans	-71.3	135.9	-177.7	-167.8	-58	0	0	0	111.5	D98 S101 T106 F107 K108	D98-N104 WeakPolarHBondContact CA-ND2 3.26Å; D98-N104 WeakPolarHBondContact CB-ND2 3.36Å; D98-N104 VanDerWaalsContact O-CB 3.25Å; D98-N104 WeakPolarHBondContact O-CB 3.42Å; D98-N104 VanDerWaalsContact O-CG 3.31Å; D98-N104 PolarHBondContact OD1-ND2 2.83Å; S101-N104 WeakPolarHBondContact O-CB 3.39Å; S101-N104 PolarHBondContact O-N 2.76Å; S101-N104 VanDerWaalsContact O-N 3.12Å; N104-T106 PolarHBondContact O-N 2.79Å; N104-T106 VanDerWaalsContact OD1-CB 3.22Å; N104-T106 WeakPolarHBondContact OD1-CB 3.39Å; N104-T106 PolarHBondContact OD1-N 3.39Å; N104-T106 PolarHBondContact OD1-OG1 2.96Å; N104-F107 HydrophobicContact CB-CB 4.49Å; N104-F107 PolarHBondContact O-N 2.98Å; N104-K108 PolarHBondContact O-N 2.96Å; N104-K108 VanDerWaalsContact O-N 3.17Å
105	P	85.2	Confident	83	Confident	93 Å²	93	52.4 Å²	52.4	60%	0.604	29%	0.291	S	S	*	.	H	α-helix	trans	-60.4	-28.8	177.8	24.8	-35.3	0	0	0	113.6	K108 T109	P105-K108 PolarHBondContact O-N 2.79Å; P105-T109 WeakPolarHBondContact O-CB 3Å; P105-T109 PolarHBondContact O-N 3.06Å; P105-T109 PolarHBondContact O-OG1 3.46Å
106	T	86.4	Confident	83.6	Confident	56 Å²	56	54.3 Å²	54.3	34%	0.344	30%	0.303	S	S	.	.	H	α-helix	trans	-64.5	-50.9	176.8	-50.5	0	0	0	0	110.7	D98 L99 N104 K108 T109 E110	D98-T106 HydrophobicContact CB-CG2 4.08Å; L99-T106 HydrophobicContact CD2-CG2 3.95Å; N104-T106 PolarHBondContact O-N 2.79Å; N104-T106 VanDerWaalsContact OD1-CB 3.22Å; N104-T106 WeakPolarHBondContact OD1-CB 3.39Å; N104-T106 PolarHBondContact OD1-N 3.39Å; N104-T106 PolarHBondContact OD1-OG1 2.96Å; T106-K108 PolarHBondContact O-N 2.89Å; T106-T109 PolarHBondContact O-N 2.84Å; T106-E110 PolarHBondContact O-N 3Å
107	F	87.4	Confident	84	Confident	6 Å²	6	52.6 Å²	52.6	3%	0.026	29%	0.291	C	S	.	.	H	α-helix	trans	-53.9	-52.9	173	-177.4	-78.8	0	0	0	111.1	L99 S101 H102 N104 T109 E110 A111 F139	L99-F107 WeakPolarHBondContact O-CD2 3.11Å; S101-F107 VanDerWaalsContact O-CB 3.28Å; S101-F107 WeakPolarHBondContact O-CB 3.35Å; H102-F107 HydrophobicContact CB-CD1 4.5Å; H102-F107 HydrophobicContact CB-CE1 4.45Å; H102-F107 AromaticContact CD2-CE1 3.23Å; H102-F107 WeakPolarHBondContact CD2-CE1 3.04Å; H102-F107 AromaticContact CD2-CZ 3.43Å; H102-F107 VanDerWaalsContact CD2-CZ 3.43Å; H102-F107 WeakPolarHBondContact CD2-CZ 3.38Å; H102-F107 AromaticContact CE1-CZ 3.8Å; H102-F107 AromaticContact CG-CE1 3.88Å; H102-F107 AromaticContact NE2-CE1 3.59Å; H102-F107 AromaticContact NE2-CZ 3.26Å; H102-F107 VanDerWaalsContact NE2-CZ 3.26Å; H102-F107 WeakPolarHBondContact NE2-CZ 3.32Å; N104-F107 HydrophobicContact CB-CB 4.49Å; N104-F107 PolarHBondContact O-N 2.98Å; F107-T109 PolarHBondContact O-N 2.81Å; F107-T109 VanDerWaalsContact O-N 3.14Å; F107-E110 PolarHBondContact O-N 2.8Å; F107-A111 HydrophobicContact CD1-CB 4.09Å; F107-A111 HydrophobicContact CE1-CB 3.78Å; F107-A111 HydrophobicContact CZ-CB 4.34Å; F107-A111 WeakPolarHBondContact O-CB 3.3Å; F107-A111 PolarHBondContact O-N 2.8Å; F107-F139 AromaticContact CD2-CD2 3.56Å; F107-F139 HydrophobicContact CD2-CD2 3.56Å; F107-F139 AromaticContact CD2-CE2 3.88Å; F107-F139 HydrophobicContact CD2-CE2 3.88Å; F107-F139 AromaticContact CE2-CD2 3.52Å; F107-F139 HydrophobicContact CE2-CD2 3.52Å; F107-F139 AromaticContact CE2-CE2 3.88Å; F107-F139 HydrophobicContact CE2-CE2 3.88Å; F107-F139 HydrophobicContact CG-CD2 4.45Å; F107-F139 HydrophobicContact CG-CE2 4.37Å; F107-F139 HydrophobicContact CZ-CD2 4.37Å; F107-F139 HydrophobicContact CZ-CE2 4.36Å
108	K	87	Confident	84.9	Confident	108 Å²	108	48.7 Å²	48.7	47%	0.47	26%	0.258	S	S	.	.	H	α-helix	trans	-59.6	-28.8	-177.5	-66.3	-179.6	-173.4	179.7	0	112.7	H102 N104 P105 T106 K112	H102-K108 WeakPolarHBondContact O-CE 3.47Å; H102-K108 WeakPolarHBondContact O-CG 3.36Å; N104-K108 PolarHBondContact O-N 2.96Å; N104-K108 VanDerWaalsContact O-N 3.17Å; P105-K108 PolarHBondContact O-N 2.79Å; T106-K108 PolarHBondContact O-N 2.89Å; K108-K112 WeakPolarHBondContact O-CB 3.44Å; K108-K112 PolarHBondContact O-N 2.84Å
109	T	88.3	Confident	85.5	Confident	94 Å²	94	49.8 Å²	49.8	58%	0.577	26%	0.26	S	S	*	.	H	α-helix	trans	-79.1	-51.4	179.2	-57.7	0	0	0	0	111.8	P105 T106 F107 Y113	P105-T109 WeakPolarHBondContact O-CB 3Å; P105-T109 PolarHBondContact O-N 3.06Å; P105-T109 PolarHBondContact O-OG1 3.46Å; T106-T109 PolarHBondContact O-N 2.84Å; F107-T109 PolarHBondContact O-N 2.81Å; F107-T109 VanDerWaalsContact O-N 3.14Å; T109-Y113 PolarHBondContact O-N 2.9Å
110	E	88.9	Confident	86	Confident	38 Å²	38	54.5 Å²	54.5	18%	0.178	28%	0.28	C	S	.	.	H	α-helix	trans	-66.6	-42.7	179.7	-67.3	-69.4	149.1	0	0	111.5	R93 L99 T106 F107 Y113 V114 F139 F192	R93-E110 IonicContact CZ-OE1 3.41Å; R93-E110 IonicContact CZ-OE2 3.36Å; R93-E110 IonicContact NH1-OE1 3.2Å; R93-E110 IonicContact NH2-OE1 3.53Å; R93-E110 PolarHBondContact NH2-OE1 3.33Å; R93-E110 IonicContact NH2-OE2 2.75Å; R93-E110 PolarHBondContact NH2-OE2 3.02Å; L99-E110 HydrophobicContact CD2-CB 4.3Å; L99-E110 HydrophobicContact CD2-CG 4.23Å; T106-E110 PolarHBondContact O-N 3Å; F107-E110 PolarHBondContact O-N 2.8Å; E110-Y113 WeakPolarHBondContact O-CB 3.39Å; E110-Y113 PolarHBondContact O-N 3.26Å; E110-V114 PolarHBondContact O-N 3.42Å; E110-F139 HydrophobicContact CB-CE2 4.11Å; E110-F139 HydrophobicContact CB-CZ 3.9Å; E110-F192 WeakPolarHBondContact OE2-CE1 3.47Å; E110-F192 WeakPolarHBondContact OE2-CZ 3.32Å
111	A	89.5	Confident	87	Confident	4 Å²	4	53.8 Å²	53.8	3%	0.033	27%	0.273	C	S	.	.	H	α-helix	trans	-59.2	-50.2	176	0	0	0	0	0	111.6	F107 Y113 V114 Q115 V136 F139	F107-A111 HydrophobicContact CD1-CB 4.09Å; F107-A111 HydrophobicContact CE1-CB 3.78Å; F107-A111 HydrophobicContact CZ-CB 4.34Å; F107-A111 WeakPolarHBondContact O-CB 3.3Å; F107-A111 PolarHBondContact O-N 2.8Å; A111-Y113 PolarHBondContact O-N 3.2Å; A111-V114 PolarHBondContact O-N 3.25Å; A111-Q115 WeakPolarHBondContact O-CB 3.07Å; A111-Q115 VanDerWaalsContact O-CG 3.3Å; A111-Q115 WeakPolarHBondContact O-CG 3.28Å; A111-Q115 PolarHBondContact O-N 2.79Å; A111-Q115 PolarHBondContact O-OE1 3.45Å; A111-V136 HydrophobicContact CB-CB 3.96Å; A111-V136 HydrophobicContact CB-CG1 3.94Å; A111-F139 HydrophobicContact CB-CE2 4.13Å; A111-F139 HydrophobicContact CB-CZ 4.24Å
112	K	91.2	Very high	87.9	Confident	136 Å²	136	51.6 Å²	51.6	59%	0.591	26%	0.258	S	S	*	.	H	α-helix	trans	-60.5	-33.2	177.2	-177.9	173.7	-179.2	177.2	0	112.2	K108 N116	K108-K112 WeakPolarHBondContact O-CB 3.44Å; K108-K112 PolarHBondContact O-N 2.84Å; K112-N116 WeakPolarHBondContact O-CB 3.42Å; K112-N116 PolarHBondContact O-N 3.39Å; K112-N116 VanDerWaalsContact O-N 3.11Å; K112-N116 PolarHBondContact O-ND2 3.29Å
113	Y	89.3	Confident	88.7	Confident	63 Å²	63	56.8 Å²	56.8	25%	0.247	28%	0.28	C	S	.	.	H	α-helix	trans	-68.2	-49.2	175	178.9	-81.4	0	0	0	111.9	T109 E110 A111 N116 T117 V189 N190 F192	T109-Y113 PolarHBondContact O-N 2.9Å; E110-Y113 WeakPolarHBondContact O-CB 3.39Å; E110-Y113 PolarHBondContact O-N 3.26Å; A111-Y113 PolarHBondContact O-N 3.2Å; Y113-N116 PolarHBondContact O-N 3.22Å; Y113-T117 PolarHBondContact O-N 3.42Å; Y113-T117 PolarHBondContact O-OG1 3.23Å; Y113-T117 VanDerWaalsContact O-OG1 3.1Å; Y113-V189 PolarHBondContact OH-O 2.85Å; Y113-V189 VanDerWaalsContact OH-O 3.1Å; Y113-N190 WeakPolarHBondContact OH-CB 3.26Å; Y113-N190 PolarHBondContact OH-O 2.83Å; Y113-N190 VanDerWaalsContact OH-O 3.12Å; Y113-F192 HydrophobicContact CD1-CD1 4.06Å; Y113-F192 AromaticContact CD1-CD2 3.87Å; Y113-F192 HydrophobicContact CD1-CD2 3.87Å; Y113-F192 AromaticContact CD1-CE1 3.67Å; Y113-F192 HydrophobicContact CD1-CE1 3.67Å; Y113-F192 AromaticContact CD1-CE2 3.47Å; Y113-F192 HydrophobicContact CD1-CE2 3.47Å; Y113-F192 VanDerWaalsContact CD1-CE2 3.47Å; Y113-F192 HydrophobicContact CD1-CG 4.13Å; Y113-F192 AromaticContact CD1-CZ 3.32Å; Y113-F192 HydrophobicContact CD1-CZ 3.32Å; Y113-F192 HydrophobicContact CD2-CE2 4.17Å; Y113-F192 HydrophobicContact CD2-CZ 4.43Å; Y113-F192 HydrophobicContact CE1-CB 4.2Å; Y113-F192 AromaticContact CE1-CD1 3.86Å; Y113-F192 HydrophobicContact CE1-CD1 3.86Å; Y113-F192 AromaticContact CE1-CD2 3.13Å; Y113-F192 HydrophobicContact CE1-CD2 3.13Å; Y113-F192 AromaticContact CE1-CE1 3.9Å; Y113-F192 HydrophobicContact CE1-CE1 3.9Å; Y113-F192 AromaticContact CE1-CE2 3.19Å; Y113-F192 HydrophobicContact CE1-CE2 3.19Å; Y113-F192 AromaticContact CE1-CG 3.47Å; Y113-F192 HydrophobicContact CE1-CG 3.47Å; Y113-F192 VanDerWaalsContact CE1-CG 3.47Å; Y113-F192 AromaticContact CE1-CZ 3.55Å; Y113-F192 HydrophobicContact CE1-CZ 3.55Å; Y113-F192 HydrophobicContact CE2-CD2 4.28Å; Y113-F192 AromaticContact CE2-CE2 3.89Å; Y113-F192 HydrophobicContact CE2-CE2 3.89Å; Y113-F192 AromaticContact CG-CE2 3.96Å; Y113-F192 HydrophobicContact CG-CE2 3.96Å; Y113-F192 AromaticContact CG-CZ 3.83Å; Y113-F192 HydrophobicContact CG-CZ 3.83Å; Y113-F192 AromaticContact CZ-CD2 3.35Å; Y113-F192 AromaticContact CZ-CE2 3.38Å; Y113-F192 WeakPolarHBondContact OH-CD2 3.39Å
114	V	90.6	Very high	89.4	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.012	29%	0.286	C	S	.	.	H	α-helix	trans	-63.7	-46.1	179.4	172.7	0	0	0	0	110.5	I90 E110 A111 N116 T117 L118 V136 A146 F192	I90-V114 HydrophobicContact CD1-CG2 4.08Å; E110-V114 PolarHBondContact O-N 3.42Å; A111-V114 PolarHBondContact O-N 3.25Å; V114-N116 VanDerWaalsContact C-N 3.32Å; V114-N116 PolarHBondContact O-N 3.49Å; V114-T117 WeakPolarHBondContact O-CB 3.44Å; V114-T117 PolarHBondContact O-N 2.85Å; V114-L118 HydrophobicContact CG1-CD1 3.82Å; V114-L118 HydrophobicContact CG1-CG 4.32Å; V114-L118 WeakPolarHBondContact O-CG 3.42Å; V114-L118 PolarHBondContact O-N 2.87Å; V114-V136 HydrophobicContact CB-CG2 3.97Å; V114-V136 HydrophobicContact CG1-CG2 3.72Å; V114-A146 HydrophobicContact CG1-CB 4.15Å; V114-F192 HydrophobicContact CG2-CE1 4.35Å
115	Q	93.6	Very high	89.8	Confident	54 Å²	54	55.3 Å²	55.3	25%	0.252	28%	0.283	S	S	.	.	H	α-helix	trans	-53.5	-45.5	172.3	-72.8	176.4	-79.6	0	0	112.6	A111 T117 K119 T134 V136	A111-Q115 WeakPolarHBondContact O-CB 3.07Å; A111-Q115 VanDerWaalsContact O-CG 3.3Å; A111-Q115 WeakPolarHBondContact O-CG 3.28Å; A111-Q115 PolarHBondContact O-N 2.79Å; A111-Q115 PolarHBondContact O-OE1 3.45Å; Q115-T117 VanDerWaalsContact C-N 3.26Å; Q115-T117 PolarHBondContact O-N 3.1Å; Q115-K119 WeakPolarHBondContact O-CB 3.49Å; Q115-K119 PolarHBondContact O-N 2.03Å; Q115-T134 PolarHBondContact NE2-O 2.75Å; Q115-V136 HydrophobicContact CG-CB 4.24Å; Q115-V136 HydrophobicContact CG-CG2 3.85Å
116	N	92	Very high	89.9	Confident	75 Å²	75	55.5 Å²	55.5	40%	0.401	29%	0.287	S	S	.	.	H	α-helix	trans	-67.6	-26.4	178.8	-83.2	-52.4	0	0	0	113.1	K112 Y113 V114 K120	K112-N116 WeakPolarHBondContact O-CB 3.42Å; K112-N116 PolarHBondContact O-N 3.39Å; K112-N116 VanDerWaalsContact O-N 3.11Å; K112-N116 PolarHBondContact O-ND2 3.29Å; Y113-N116 PolarHBondContact O-N 3.22Å; V114-N116 VanDerWaalsContact C-N 3.32Å; V114-N116 PolarHBondContact O-N 3.49Å; N116-K120 WeakPolarHBondContact O-CD 3.01Å; N116-K120 VanDerWaalsContact O-CG 3.29Å; N116-K120 WeakPolarHBondContact O-CG 3.48Å; N116-K120 PolarHBondContact O-N 2.99Å
117	T	90.2	Very high	90.1	Very high	8 Å²	8	53 Å²	53	5%	0.049	27%	0.271	C	S	.	.	H	α-helix	trans	-75.9	-50.3	175.5	-60.6	0	0	0	0	110.6	Y113 V114 Q115 K119 K120 I121 V189 F194	Y113-T117 PolarHBondContact O-N 3.42Å; Y113-T117 PolarHBondContact O-OG1 3.23Å; Y113-T117 VanDerWaalsContact O-OG1 3.1Å; V114-T117 WeakPolarHBondContact O-CB 3.44Å; V114-T117 PolarHBondContact O-N 2.85Å; Q115-T117 VanDerWaalsContact C-N 3.26Å; Q115-T117 PolarHBondContact O-N 3.1Å; T117-K119 VanDerWaalsContact C-N 3.33Å; T117-K119 PolarHBondContact O-N 2.79Å; T117-K120 WeakPolarHBondContact O-CB 3.46Å; T117-K120 PolarHBondContact O-N 3.26Å; T117-K120 VanDerWaalsContact O-N 3.13Å; T117-I121 HydrophobicContact CG2-CD1 4.16Å; T117-I121 PolarHBondContact O-N 3.36Å; T117-I121 VanDerWaalsContact O-N 3.12Å; T117-V189 HydrophobicContact CG2-CB 4.22Å; T117-V189 HydrophobicContact CG2-CG1 3.66Å; T117-F194 HydrophobicContact CG2-CE2 4.37Å
118	L	91.6	Very high	90.2	Very high	4 Å²	4	55 Å²	55	2%	0.021	29%	0.286	C	S	.	.	H	α-helix	trans	-58.5	-42.3	174.5	-66	168.3	0	0	0	112	V114 K120 I121 M122 T134 F148 L171	V114-L118 HydrophobicContact CG1-CD1 3.82Å; V114-L118 HydrophobicContact CG1-CG 4.32Å; V114-L118 WeakPolarHBondContact O-CG 3.42Å; V114-L118 PolarHBondContact O-N 2.87Å; L118-K120 VanDerWaalsContact C-N 3.3Å; L118-K120 PolarHBondContact O-N 2.59Å; L118-I121 WeakPolarHBondContact O-CB 3.49Å; L118-I121 PolarHBondContact O-N 2.88Å; L118-M122 WeakPolarHBondContact O-CG 3.27Å; L118-M122 PolarHBondContact O-N 3.38Å; L118-T134 HydrophobicContact CB-CG2 4.04Å; L118-F148 HydrophobicContact CD1-CB 4.25Å; L118-F148 HydrophobicContact CD1-CD1 3.85Å; L118-F148 HydrophobicContact CD1-CD2 3.52Å; L118-F148 HydrophobicContact CD1-CE1 4.03Å; L118-F148 HydrophobicContact CD1-CE2 3.68Å; L118-F148 HydrophobicContact CD1-CG 3.6Å; L118-F148 HydrophobicContact CD1-CZ 3.95Å; L118-F148 HydrophobicContact CD2-CE1 4.42Å; L118-F148 HydrophobicContact CD2-CE2 3.9Å; L118-F148 HydrophobicContact CD2-CZ 3.82Å; L118-F148 HydrophobicContact CG-CE2 4.43Å; L118-L171 HydrophobicContact CD2-CD2 3.9Å
119	K	92.4	Very high	90.2	Very high	96 Å²	96	57 Å²	57	42%	0.417	29%	0.291	S	S	.	.	H	α-helix	trans	-63.2	-29.9	176.7	-177.1	168.9	-174.9	171.2	0	113.6	Q115 T117 K123 F131 T134	Q115-K119 WeakPolarHBondContact O-CB 3.49Å; Q115-K119 PolarHBondContact O-N 2.03Å; T117-K119 VanDerWaalsContact C-N 3.33Å; T117-K119 PolarHBondContact O-N 2.79Å; K119-K123 WeakPolarHBondContact O-CB 3.21Å; K119-K123 WeakPolarHBondContact O-CG 3.34Å; K119-K123 PolarHBondContact O-N 3.24Å; K119-F131 HydrophobicContact CB-CZ 4.4Å; K119-F131 HydrophobicContact CG-CE1 4Å; K119-F131 HydrophobicContact CG-CZ 4.35Å; K119-T134 HydrophobicContact CB-CG2 4.4Å
120	K	90.4	Very high	90.3	Very high	108 Å²	108	54.1 Å²	54.1	47%	0.47	27%	0.27	S	S	.	.	H	α-helix	trans	-72.1	-47	171.8	-74	166.4	-177.3	176.6	0	110.8	N116 T117 L118 K123 A124	N116-K120 WeakPolarHBondContact O-CD 3.01Å; N116-K120 VanDerWaalsContact O-CG 3.29Å; N116-K120 WeakPolarHBondContact O-CG 3.48Å; N116-K120 PolarHBondContact O-N 2.99Å; T117-K120 WeakPolarHBondContact O-CB 3.46Å; T117-K120 PolarHBondContact O-N 3.26Å; T117-K120 VanDerWaalsContact O-N 3.13Å; L118-K120 VanDerWaalsContact C-N 3.3Å; L118-K120 PolarHBondContact O-N 2.59Å; K120-K123 PolarHBondContact O-N 3.45Å; K120-A124 PolarHBondContact O-N 2.89Å
121	I	90.9	Very high	90.4	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-57	-55.2	177.6	-73.9	157.1	0	0	0	111.3	T117 L118 K123 A124 S125 L171 L175 Y178	T117-I121 HydrophobicContact CG2-CD1 4.16Å; T117-I121 PolarHBondContact O-N 3.36Å; T117-I121 VanDerWaalsContact O-N 3.12Å; L118-I121 WeakPolarHBondContact O-CB 3.49Å; L118-I121 PolarHBondContact O-N 2.88Å; I121-K123 VanDerWaalsContact C-N 3.28Å; I121-K123 PolarHBondContact O-N 2.75Å; I121-A124 PolarHBondContact O-N 2.73Å; I121-S125 PolarHBondContact O-N 3.41Å; I121-S125 VanDerWaalsContact O-N 3.1Å; I121-L171 HydrophobicContact CG2-CD2 4.18Å; I121-L175 HydrophobicContact CD1-CD2 3.62Å; I121-L175 HydrophobicContact CD1-CG 3.89Å; I121-Y178 HydrophobicContact CG1-CD2 3.63Å; I121-Y178 HydrophobicContact CG1-CE2 3.96Å
122	M	91.3	Very high	90.5	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.6	-35.2	-178.1	-65.3	-57.3	-66.7	0	0	112.4	L118 A124 S125 L127 S128 F131 I150 L152 L171	L118-M122 WeakPolarHBondContact O-CG 3.27Å; L118-M122 PolarHBondContact O-N 3.38Å; M122-A124 VanDerWaalsContact C-N 3.32Å; M122-A124 PolarHBondContact O-N 3.45Å; M122-S125 PolarHBondContact O-N 3.38Å; M122-S125 PolarHBondContact O-OG 2.67Å; M122-L127 HydrophobicContact CE-CB 4.06Å; M122-L127 HydrophobicContact CE-CD1 3.9Å; M122-S128 WeakPolarHBondContact O-CA 3.31Å; M122-S128 PolarHBondContact O-N 3.32Å; M122-F131 HydrophobicContact CB-CB 4.27Å; M122-F131 HydrophobicContact CB-CD1 4.36Å; M122-F131 HydrophobicContact CB-CD2 3.35Å; M122-F131 HydrophobicContact CB-CE2 3.68Å; M122-F131 HydrophobicContact CB-CG 3.72Å; M122-F131 HydrophobicContact CB-CZ 4.32Å; M122-F131 HydrophobicContact CE-CD2 4.22Å; M122-F131 HydrophobicContact CG-CD2 3.7Å; M122-F131 HydrophobicContact CG-CE2 3.75Å; M122-I150 HydrophobicContact CE-CD1 4.39Å; M122-I150 HydrophobicContact CE-CG2 4.27Å; M122-I150 HydrophobicContact CG-CD1 4.27Å; M122-I150 HydrophobicContact SD-CD1 4.1Å; M122-L152 HydrophobicContact CE-CD2 4.3Å; M122-L171 HydrophobicContact CG-CD2 4.24Å; M122-L171 HydrophobicContact SD-CD2 3.62Å; M122-L171 HydrophobicContact SD-CG 3.97Å
123	K	89.9	Confident	90.5	Very high	128 Å²	128	54.5 Å²	54.5	56%	0.557	27%	0.272	S	S	*	.	H	α-helix	trans	-74.3	-15.5	174.4	-74.4	-165.9	170.1	-139	0	115	K119 K120 I121 S128 F131	K119-K123 WeakPolarHBondContact O-CB 3.21Å; K119-K123 WeakPolarHBondContact O-CG 3.34Å; K119-K123 PolarHBondContact O-N 3.24Å; K120-K123 PolarHBondContact O-N 3.45Å; I121-K123 VanDerWaalsContact C-N 3.28Å; I121-K123 PolarHBondContact O-N 2.75Å; K123-S128 VanDerWaalsContact O-CB 3.31Å; K123-S128 WeakPolarHBondContact O-CB 3.45Å; K123-F131 HydrophobicContact CG-CD1 4.23Å
124	A	88.8	Confident	90.6	Very high	67 Å²	67	51.9 Å²	51.9	55%	0.554	26%	0.262	S	S	*	.	H	α-helix	trans	-91	-12.8	170.3	0	0	0	0	0	113	K120 I121 M122 Y178	K120-A124 PolarHBondContact O-N 2.89Å; I121-A124 PolarHBondContact O-N 2.73Å; M122-A124 VanDerWaalsContact C-N 3.32Å; M122-A124 PolarHBondContact O-N 3.45Å; A124-Y178 HydrophobicContact CB-CE2 4.23Å
125	S	90.8	Very high	90.5	Very high	19 Å²	19	53 Å²	53	13%	0.133	27%	0.27	C	S	.	.	S	Bend	trans	-83	171.1	-177.7	78.8	0	0	0	0	114	I121 M122 L127 S128	I121-S125 PolarHBondContact O-N 3.41Å; I121-S125 VanDerWaalsContact O-N 3.1Å; M122-S125 PolarHBondContact O-N 3.38Å; M122-S125 PolarHBondContact O-OG 2.67Å; S125-L127 PolarHBondContact O-N 3.1Å; S125-L127 PolarHBondContact OG-N 2.91Å; S125-L127 VanDerWaalsContact OG-N 3.11Å; S125-S128 WeakPolarHBondContact O-CB 3.36Å; S125-S128 PolarHBondContact O-N 3.48Å; S125-S128 VanDerWaalsContact O-N 3.14Å; S125-S128 PolarHBondContact O-OG 2.03Å
126	S	87.6	Confident	90.3	Very high	97 Å²	97	50.6 Å²	50.6	68%	0.678	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-57.7	-27.6	167.5	49.5	0	0	0	0	113.3	S128	S126-S128 PolarHBondContact O-N 3.36Å
127	L	90.2	Very high	89.8	Confident	3 Å²	3	47.2 Å²	47.2	2%	0.016	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-81.3	1.9	179.3	-57.6	176	0	0	0	113.4	M122 S125 R129 Y130 F131 L152 V162 V167	M122-L127 HydrophobicContact CE-CB 4.06Å; M122-L127 HydrophobicContact CE-CD1 3.9Å; S125-L127 PolarHBondContact O-N 3.1Å; S125-L127 PolarHBondContact OG-N 2.91Å; S125-L127 VanDerWaalsContact OG-N 3.11Å; L127-R129 VanDerWaalsContact C-N 3.26Å; L127-R129 PolarHBondContact O-N 2.8Å; L127-R129 VanDerWaalsContact O-N 3.16Å; L127-Y130 HydrophobicContact CD2-CD2 3.95Å; L127-Y130 HydrophobicContact CD2-CE2 4.31Å; L127-Y130 PolarHBondContact O-N 3.12Å; L127-F131 PolarHBondContact O-N 3.04Å; L127-L152 HydrophobicContact CD1-CD1 4.37Å; L127-V162 HydrophobicContact CD2-CG1 4.1Å; L127-V162 HydrophobicContact CD2-CG2 4.3Å; L127-V167 HydrophobicContact CD1-CB 4.38Å; L127-V167 HydrophobicContact CD1-CG2 3.94Å
128	S	89.8	Confident	89.2	Confident	49 Å²	49	46.9 Å²	46.9	34%	0.343	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-55.8	-30.4	-177.1	52.6	0	0	0	0	115.3	M122 K123 S125 S126	M122-S128 WeakPolarHBondContact O-CA 3.31Å; M122-S128 PolarHBondContact O-N 3.32Å; K123-S128 VanDerWaalsContact O-CB 3.31Å; K123-S128 WeakPolarHBondContact O-CB 3.45Å; S125-S128 WeakPolarHBondContact O-CB 3.36Å; S125-S128 PolarHBondContact O-N 3.48Å; S125-S128 VanDerWaalsContact O-N 3.14Å; S125-S128 PolarHBondContact O-OG 2.03Å; S126-S128 PolarHBondContact O-N 3.36Å
129	R	86.9	Confident	88.7	Confident	151 Å²	151	46.7 Å²	46.7	57%	0.57	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-76.1	-24.6	174.5	-69.8	-170.1	176.2	-159.4	1.1	113.7	E70 W74 L127	E70-R129 IonicContact OE1-CZ 3.31Å; E70-R129 IonicContact OE1-NH1 2.92Å; E70-R129 PolarHBondContact OE1-NH1 3.03Å; E70-R129 IonicContact OE1-NH2 2.75Å; E70-R129 PolarHBondContact OE1-NH2 2.78Å; W74-R129 HydrophobicContact CH2-CB 3.38Å; W74-R129 HydrophobicContact CH2-CG 4.23Å; W74-R129 HydrophobicContact CZ2-CB 4.28Å; W74-R129 HydrophobicContact CZ3-CB 3.64Å; L127-R129 VanDerWaalsContact C-N 3.26Å; L127-R129 PolarHBondContact O-N 2.8Å; L127-R129 VanDerWaalsContact O-N 3.16Å
130	Y	89.9	Confident	87.6	Confident	33 Å²	33	42.2 Å²	42.2	13%	0.129	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-26	178.6	-50.4	-64.6	0	0	0	112.8	W74 L127 N132 L152 S153 V154 H158 V162	W74-Y130 AromaticContact CH2-CD1 3.64Å; W74-Y130 HydrophobicContact CH2-CD1 3.64Å; W74-Y130 AromaticContact CH2-CE1 3.18Å; W74-Y130 HydrophobicContact CH2-CE1 3.18Å; W74-Y130 AromaticContact CH2-CZ 3.73Å; W74-Y130 AromaticContact CZ2-CE1 3.95Å; W74-Y130 HydrophobicContact CZ2-CE1 3.95Å; W74-Y130 AromaticContact CZ3-CD1 3.81Å; W74-Y130 HydrophobicContact CZ3-CD1 3.81Å; W74-Y130 AromaticContact CZ3-CE1 3.76Å; W74-Y130 HydrophobicContact CZ3-CE1 3.76Å; L127-Y130 HydrophobicContact CD2-CD2 3.95Å; L127-Y130 HydrophobicContact CD2-CE2 4.31Å; L127-Y130 PolarHBondContact O-N 3.12Å; Y130-N132 PolarHBondContact O-N 3Å; Y130-L152 CarbonylContact O-C 3.57Å; Y130-L152 WeakPolarHBondContact O-CA 3.37Å; Y130-S153 PolarHBondContact O-N 3.45Å; Y130-V154 HydrophobicContact CD1-CB 4.42Å; Y130-V154 HydrophobicContact CD1-CG1 4.26Å; Y130-V154 HydrophobicContact CD1-CG2 4.16Å; Y130-V154 HydrophobicContact CE1-CG1 4.27Å; Y130-V154 HydrophobicContact CG-CG2 4.24Å; Y130-H158 AromaticContact CE1-ND1 3.96Å; Y130-H158 AromaticContact CZ-ND1 3.8Å; Y130-H158 PolarHBondContact OH-ND1 3.25Å; Y130-V162 HydrophobicContact CD2-CG2 4.09Å; Y130-V162 HydrophobicContact CE2-CG2 3.97Å
131	F	92.3	Very high	86.4	Confident	17 Å²	17	41.5 Å²	41.5	8%	0.075	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	118	-174	177.5	-90.6	0	0	0	112.9	K119 M122 K123 L127 T134 I150 L152	K119-F131 HydrophobicContact CB-CZ 4.4Å; K119-F131 HydrophobicContact CG-CE1 4Å; K119-F131 HydrophobicContact CG-CZ 4.35Å; M122-F131 HydrophobicContact CB-CB 4.27Å; M122-F131 HydrophobicContact CB-CD1 4.36Å; M122-F131 HydrophobicContact CB-CD2 3.35Å; M122-F131 HydrophobicContact CB-CE2 3.68Å; M122-F131 HydrophobicContact CB-CG 3.72Å; M122-F131 HydrophobicContact CB-CZ 4.32Å; M122-F131 HydrophobicContact CE-CD2 4.22Å; M122-F131 HydrophobicContact CG-CD2 3.7Å; M122-F131 HydrophobicContact CG-CE2 3.75Å; K123-F131 HydrophobicContact CG-CD1 4.23Å; L127-F131 PolarHBondContact O-N 3.04Å; F131-T134 HydrophobicContact CE2-CG2 4.3Å; F131-T134 HydrophobicContact CZ-CG2 3.89Å; F131-I150 HydrophobicContact CD2-CG2 3.99Å; F131-I150 HydrophobicContact CE2-CG2 4.04Å; F131-L152 HydrophobicContact CB-CD2 4.15Å; F131-L152 HydrophobicContact CD2-CD2 4.19Å
132	N	90.7	Very high	85.3	Confident	82 Å²	82	43.4 Å²	43.4	44%	0.439	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-70.4	176.6	-169.4	4	0	0	0	110.4	Y130 V151	Y130-N132 PolarHBondContact O-N 3Å; N132-V151 HydrophobicContact CB-CG1 4.43Å; N132-V151 WeakPolarHBondContact CB-O 3Å; N132-V151 PolarHBondContact N-O 3.03Å
133	Y	91	Very high	84.3	Confident	86 Å²	86	45.5 Å²	45.5	34%	0.337	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	172.1	179.6	68	-86.1	0	0	0	113.1	W149 V151	Y133-W149 AromaticContact CE2-NE1 3.57Å; Y133-V151 HydrophobicContact CD1-CB 4.16Å; Y133-V151 HydrophobicContact CE1-CB 3.82Å; Y133-V151 HydrophobicContact CE1-CG1 4.09Å; Y133-V151 HydrophobicContact CE1-CG2 3.9Å; Y133-V151 HydrophobicContact CE2-CG2 4.06Å; Y133-V151 PolarHBondContact O-N 3.2Å
134	T	92.3	Very high	83.9	Confident	8 Å²	8	39.7 Å²	39.7	5%	0.049	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	141.3	174.4	-178.1	0	0	0	0	110.1	Q115 L118 K119 F131 W149	Q115-T134 PolarHBondContact NE2-O 2.75Å; L118-T134 HydrophobicContact CB-CG2 4.04Å; K119-T134 HydrophobicContact CB-CG2 4.4Å; F131-T134 HydrophobicContact CE2-CG2 4.3Å; F131-T134 HydrophobicContact CZ-CG2 3.89Å; T134-W149 WeakPolarHBondContact CA-O 3.48Å; T134-W149 VanDerWaalsContact CB-O 3.31Å; T134-W149 WeakPolarHBondContact CB-O 3.31Å; T134-W149 PolarHBondContact OG1-O 3.26Å
135	T	88.9	Confident	83.7	Confident	27 Å²	27	37.7 Å²	37.7	17%	0.166	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	129.5	-177.8	-54.4	0	0	0	0	110	F148 W149 F216	T135-F148 CarbonylContact O-C 3.51Å; T135-F148 WeakPolarHBondContact O-CA 3.21Å; T135-F148 VanDerWaalsContact O-CB 3.27Å; T135-F148 WeakPolarHBondContact O-CB 3.4Å; T135-W149 HydrophobicContact CG2-CH2 4.46Å; T135-W149 HydrophobicContact CG2-CZ2 4.15Å; T135-W149 PolarHBondContact N-O 3.12Å; T135-W149 VanDerWaalsContact N-O 3.15Å; T135-W149 PolarHBondContact O-N 3.28Å; T135-F216 HydrophobicContact CG2-CE2 4.31Å; T135-F216 HydrophobicContact CG2-CZ 3.69Å
136	V	88.6	Confident	83.5	Confident	3 Å²	3	36.8 Å²	36.8	2%	0.018	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	125.2	169.7	170.3	0	0	0	0	107.3	A111 V114 Q115 F139 H147 F148	A111-V136 HydrophobicContact CB-CB 3.96Å; A111-V136 HydrophobicContact CB-CG1 3.94Å; V114-V136 HydrophobicContact CB-CG2 3.97Å; V114-V136 HydrophobicContact CG1-CG2 3.72Å; Q115-V136 HydrophobicContact CG-CB 4.24Å; Q115-V136 HydrophobicContact CG-CG2 3.85Å; V136-F139 HydrophobicContact CG1-CE1 4.05Å; V136-F139 HydrophobicContact CG1-CE2 4.2Å; V136-F139 HydrophobicContact CG1-CZ 3.8Å; V136-H147 CarbonylContact C-O 3.59Å; V136-H147 WeakPolarHBondContact CA-O 3.37Å; V136-F148 HydrophobicContact CB-CB 4.47Å; V136-F148 HydrophobicContact CG2-CB 3.92Å
137	F	80.5	Confident	83.4	Confident	4 Å²	4	32.3 Å²	32.3	2%	0.018	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	-9.9	-171.4	72.4	-95.8	0	0	0	114.3	T85 H102 H147 W149 L212 F216 T276	T85-F137 HydrophobicContact CG2-CE1 4.47Å; H102-F137 PolarHBondContact CE1-O 3.41Å; H102-F137 PolarHBondContact NE2-O 2.04Å; F137-H147 HydrophobicContact CD1-CB 4.37Å; F137-H147 WeakPolarHBondContact CD1-O 3.32Å; F137-H147 HydrophobicContact CE1-CB 3.89Å; F137-H147 HydrophobicContact CE2-CB 4.05Å; F137-H147 HydrophobicContact CZ-CB 3.72Å; F137-H147 PolarHBondContact N-O 3.1Å; F137-W149 HydrophobicContact CB-CE3 3.91Å; F137-W149 HydrophobicContact CB-CH2 4.41Å; F137-W149 HydrophobicContact CB-CZ3 3.49Å; F137-W149 VanDerWaalsContact CB-CZ3 3.49Å; F137-W149 HydrophobicContact CD1-CD2 4.5Å; F137-W149 AromaticContact CD1-CE3 3.45Å; F137-W149 HydrophobicContact CD1-CE3 3.45Å; F137-W149 VanDerWaalsContact CD1-CE3 3.45Å; F137-W149 AromaticContact CD1-CZ3 3.91Å; F137-W149 HydrophobicContact CD1-CZ3 3.91Å; F137-W149 HydrophobicContact CE1-CE3 4.19Å; F137-W149 AromaticContact CG-CE3 3.9Å; F137-W149 HydrophobicContact CG-CE3 3.9Å; F137-W149 AromaticContact CG-CZ3 3.85Å; F137-W149 HydrophobicContact CG-CZ3 3.85Å; F137-L212 HydrophobicContact CD2-CD1 4.41Å; F137-L212 HydrophobicContact CD2-CD2 4.32Å; F137-L212 HydrophobicContact CE2-CD1 4.39Å; F137-L212 HydrophobicContact CE2-CD2 4.45Å; F137-L212 HydrophobicContact CZ-CD1 4.46Å; F137-F216 HydrophobicContact CB-CE1 3.7Å; F137-F216 HydrophobicContact CB-CZ 4.23Å; F137-T276 HydrophobicContact CZ-CG2 4.36Å
138	A	78	Confident	83.3	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	157.9	172.1	0	0	0	0	0	111.2	H147 Y219	A138-H147 HydrophobicContact CB-CB 4.01Å; A138-H147 PolarHBondContact N-O 3.2Å; A138-H147 PolarHBondContact O-N 2.96Å; A138-Y219 HydrophobicContact CB-CE2 3.91Å; A138-Y219 VanDerWaalsContact CB-OH 3.31Å; A138-Y219 WeakPolarHBondContact CB-OH 3.47Å
139	F	82.1	Confident	83.2	Confident	1 Å²	1	30 Å²	30	0%	0.004	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	135.1	163	-70.1	-65.3	0	0	0	109.4	F95 L99 F107 E110 A111 V136 V144 V145 A146	F95-F139 HydrophobicContact CD2-CB 4.17Å; F95-F139 HydrophobicContact CE2-CB 4.04Å; F95-F139 VanDerWaalsContact CE2-O 3.26Å; F95-F139 WeakPolarHBondContact CE2-O 3.49Å; L99-F139 HydrophobicContact CB-CB 4.08Å; L99-F139 HydrophobicContact CB-CD2 4.12Å; L99-F139 HydrophobicContact CB-CG 4.42Å; L99-F139 HydrophobicContact CD2-CD2 3.96Å; L99-F139 HydrophobicContact CD2-CE2 4.17Å; L99-F139 HydrophobicContact CG-CD2 4.44Å; F107-F139 AromaticContact CD2-CD2 3.56Å; F107-F139 HydrophobicContact CD2-CD2 3.56Å; F107-F139 AromaticContact CD2-CE2 3.88Å; F107-F139 HydrophobicContact CD2-CE2 3.88Å; F107-F139 AromaticContact CE2-CD2 3.52Å; F107-F139 HydrophobicContact CE2-CD2 3.52Å; F107-F139 AromaticContact CE2-CE2 3.88Å; F107-F139 HydrophobicContact CE2-CE2 3.88Å; F107-F139 HydrophobicContact CG-CD2 4.45Å; F107-F139 HydrophobicContact CG-CE2 4.37Å; F107-F139 HydrophobicContact CZ-CD2 4.37Å; F107-F139 HydrophobicContact CZ-CE2 4.36Å; E110-F139 HydrophobicContact CB-CE2 4.11Å; E110-F139 HydrophobicContact CB-CZ 3.9Å; A111-F139 HydrophobicContact CB-CE2 4.13Å; A111-F139 HydrophobicContact CB-CZ 4.24Å; V136-F139 HydrophobicContact CG1-CE1 4.05Å; V136-F139 HydrophobicContact CG1-CE2 4.2Å; V136-F139 HydrophobicContact CG1-CZ 3.8Å; F139-V144 HydrophobicContact CB-CG1 4.14Å; F139-V144 HydrophobicContact CD1-CG1 3.3Å; F139-V144 HydrophobicContact CE1-CG1 3.91Å; F139-V144 HydrophobicContact CG-CG1 3.95Å; F139-V145 CarbonylContact C-O 3.4Å; F139-V145 WeakPolarHBondContact CA-O 3.39Å; F139-A146 HydrophobicContact CD1-CB 4.07Å; F139-A146 HydrophobicContact CE1-CB 3.78Å
140	G	68	Low	83.3	Confident	2 Å²	2	22.9 Å²	22.9	2%	0.021	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	158.7	177.8	0	0	0	0	0	113.5	F95 V145	F95-G140 VanDerWaalsContact CD2-O 3.26Å; F95-G140 WeakPolarHBondContact CD2-O 3.4Å; G140-V145 PolarHBondContact N-O 2.65Å
141	Q	66.4	Low	83.4	Confident	92 Å²	92	21.3 Å²	21.3	43%	0.43	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	154.2	-176.7	-171.4	163.6	5.2	0	0	113.3	F95 Y221	F95-Q141 HydrophobicContact CB-CB 4.46Å; F95-Q141 HydrophobicContact CB-CG 4.41Å; F95-Q141 HydrophobicContact CD1-CB 3.99Å; F95-Q141 HydrophobicContact CD1-CG 3.95Å; F95-Q141 HydrophobicContact CE1-CB 4.45Å; F95-Q141 HydrophobicContact CG-CB 4.24Å; F95-Q141 HydrophobicContact CG-CG 4.43Å; Q141-Y221 HydrophobicContact CB-CE1 4.37Å; Q141-Y221 WeakPolarHBondContact CB-OH 3.24Å; Q141-Y221 PolarHBondContact OE1-OH 3.25Å
142	G	67	Low	83.3	Confident	42 Å²	42	20.5 Å²	20.5	43%	0.433	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	103.7	-139.3	-174	0	0	0	0	0	111.2	N94 F95	N94-G142 WeakPolarHBondContact CA-O 3.47Å; F95-G142 PolarHBondContact N-O 3.13Å
143	S	70	Confident	83.2	Confident	44 Å²	44	17.8 Å²	17.8	31%	0.308	10%	0.104	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	128.8	155.8	-72.4	0	0	0	0	108.3	V91 R93 V145	V91-S143 PolarHBondContact O-OG 2.81Å; R93-S143 CarbonylContact O-C 3.51Å; R93-S143 VanDerWaalsContact O-CA 3.26Å; R93-S143 WeakPolarHBondContact O-CA 3.19Å; S143-V145 PolarHBondContact O-N 2.81Å
144	V	82.9	Confident	83.1	Confident	6 Å²	6	13.7 Å²	13.7	4%	0.036	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	111.9	-167.2	174.6	0	0	0	0	111.2	I90 R93 N94 F95 L99 F139	I90-V144 HydrophobicContact CB-CB 4.48Å; I90-V144 VanDerWaalsContact CB-O 3.3Å; I90-V144 WeakPolarHBondContact CB-O 3.09Å; I90-V144 HydrophobicContact CD1-CG1 4.26Å; I90-V144 PolarHBondContact N-O 3.13Å; I90-V144 PolarHBondContact O-N 3.1Å; R93-V144 HydrophobicContact CB-CB 3.98Å; R93-V144 HydrophobicContact CB-CG2 3.75Å; R93-V144 PolarHBondContact O-N 3.16Å; N94-V144 VanDerWaalsContact C-CG2 3.41Å; F95-V144 HydrophobicContact CB-CG2 4.34Å; L99-V144 HydrophobicContact CD1-CG1 4.37Å; L99-V144 HydrophobicContact CD1-CG2 3.89Å; F139-V144 HydrophobicContact CB-CG1 4.14Å; F139-V144 HydrophobicContact CD1-CG1 3.3Å; F139-V144 HydrophobicContact CE1-CG1 3.91Å; F139-V144 HydrophobicContact CG-CG1 3.95Å
145	V	83.3	Confident	82.9	Confident	25 Å²	25	13.4 Å²	13.4	15%	0.152	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	120.7	170.5	-168.2	0	0	0	0	108.1	Y87 T89 F139 G140 S143 H147	Y87-V145 HydrophobicContact CD2-CG1 4.08Å; Y87-V145 HydrophobicContact CG-CG1 4.48Å; T89-V145 HydrophobicContact CG2-CG2 4.32Å; F139-V145 CarbonylContact C-O 3.4Å; F139-V145 WeakPolarHBondContact CA-O 3.39Å; G140-V145 PolarHBondContact N-O 2.65Å; S143-V145 PolarHBondContact O-N 2.81Å; V145-H147 WeakPolarHBondContact CG1-NE2 3.48Å; V145-H147 PolarHBondContact O-CD2 3.21Å
146	A	87.1	Confident	82.5	Confident	0 Å²	0	14.9 Å²	14.9	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	120.5	176.2	0	0	0	0	0	109.9	Y87 L88 I90 V114 F139 F148	Y87-A146 VanDerWaalsContact CA-O 3.29Å; Y87-A146 WeakPolarHBondContact CA-O 3.36Å; L88-A146 PolarHBondContact N-O 2.91Å; L88-A146 PolarHBondContact O-N 3.47Å; I90-A146 HydrophobicContact CD1-CB 4.04Å; V114-A146 HydrophobicContact CG1-CB 4.15Å; F139-A146 HydrophobicContact CD1-CB 4.07Å; F139-A146 HydrophobicContact CE1-CB 3.78Å; A146-F148 WeakPolarHBondContact O-CD1 3.47Å
147	H	84.8	Confident	82.1	Confident	4 Å²	4	17.7 Å²	17.7	2%	0.019	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	128.4	176.7	-58.2	-98.4	0	0	0	109.1	Y87 V136 F137 A138 V145 I275	Y87-H147 WeakPolarHBondContact CB-ND1 3.32Å; V136-H147 CarbonylContact C-O 3.59Å; V136-H147 WeakPolarHBondContact CA-O 3.37Å; F137-H147 HydrophobicContact CD1-CB 4.37Å; F137-H147 WeakPolarHBondContact CD1-O 3.32Å; F137-H147 HydrophobicContact CE1-CB 3.89Å; F137-H147 HydrophobicContact CE2-CB 4.05Å; F137-H147 HydrophobicContact CZ-CB 3.72Å; F137-H147 PolarHBondContact N-O 3.1Å; A138-H147 HydrophobicContact CB-CB 4.01Å; A138-H147 PolarHBondContact N-O 3.2Å; A138-H147 PolarHBondContact O-N 2.96Å; V145-H147 WeakPolarHBondContact CG1-NE2 3.48Å; V145-H147 PolarHBondContact O-CD2 3.21Å; H147-I275 VanDerWaalsContact CE1-CD1 3.49Å; H147-I275 WeakPolarHBondContact CE1-CD1 3.21Å; H147-I275 VanDerWaalsContact CE1-CG2 3.46Å; H147-I275 WeakPolarHBondContact CE1-CG2 3.27Å; H147-I275 WeakPolarHBondContact NE2-CD1 3.35Å
148	F	87.8	Confident	82.2	Confident	1 Å²	1	18.9 Å²	18.9	0%	0.004	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	161.1	-173.6	57.3	-85.9	0	0	0	112	A86 L88 L118 T135 V136 A146 I150 L171	A86-F148 HydrophobicContact CB-CD2 4.03Å; A86-F148 HydrophobicContact CB-CE1 4.26Å; A86-F148 HydrophobicContact CB-CE2 3.52Å; A86-F148 HydrophobicContact CB-CZ 3.65Å; A86-F148 PolarHBondContact N-O 2.88Å; A86-F148 PolarHBondContact O-N 2.73Å; L88-F148 HydrophobicContact CB-CE1 4.06Å; L118-F148 HydrophobicContact CD1-CB 4.25Å; L118-F148 HydrophobicContact CD1-CD1 3.85Å; L118-F148 HydrophobicContact CD1-CD2 3.52Å; L118-F148 HydrophobicContact CD1-CE1 4.03Å; L118-F148 HydrophobicContact CD1-CE2 3.68Å; L118-F148 HydrophobicContact CD1-CG 3.6Å; L118-F148 HydrophobicContact CD1-CZ 3.95Å; L118-F148 HydrophobicContact CD2-CE1 4.42Å; L118-F148 HydrophobicContact CD2-CE2 3.9Å; L118-F148 HydrophobicContact CD2-CZ 3.82Å; L118-F148 HydrophobicContact CG-CE2 4.43Å; T135-F148 CarbonylContact O-C 3.51Å; T135-F148 WeakPolarHBondContact O-CA 3.21Å; T135-F148 VanDerWaalsContact O-CB 3.27Å; T135-F148 WeakPolarHBondContact O-CB 3.4Å; V136-F148 HydrophobicContact CB-CB 4.47Å; V136-F148 HydrophobicContact CG2-CB 3.92Å; A146-F148 WeakPolarHBondContact O-CD1 3.47Å; F148-I150 HydrophobicContact CD2-CG1 4.27Å; F148-I150 HydrophobicContact CE2-CD1 4.16Å; F148-I150 HydrophobicContact CE2-CG1 4.38Å; F148-L171 HydrophobicContact CE2-CD1 4.37Å
149	W	88.1	Confident	82.3	Confident	2 Å²	2	21.1 Å²	21.1	1%	0.008	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	160.4	167.1	67.1	77.5	0	0	0	112.3	Y84 T85 Y133 T134 T135 F137 V209 L212 T213 F216	Y84-W149 CarbonylContact O-C 3.57Å; Y84-W149 WeakPolarHBondContact O-CA 3.14Å; Y84-W149 WeakPolarHBondContact O-CB 3.45Å; T85-W149 HydrophobicContact CG2-CB 4.26Å; Y133-W149 AromaticContact CE2-NE1 3.57Å; T134-W149 WeakPolarHBondContact CA-O 3.48Å; T134-W149 VanDerWaalsContact CB-O 3.31Å; T134-W149 WeakPolarHBondContact CB-O 3.31Å; T134-W149 PolarHBondContact OG1-O 3.26Å; T135-W149 HydrophobicContact CG2-CH2 4.46Å; T135-W149 HydrophobicContact CG2-CZ2 4.15Å; T135-W149 PolarHBondContact N-O 3.12Å; T135-W149 VanDerWaalsContact N-O 3.15Å; T135-W149 PolarHBondContact O-N 3.28Å; F137-W149 HydrophobicContact CB-CE3 3.91Å; F137-W149 HydrophobicContact CB-CH2 4.41Å; F137-W149 HydrophobicContact CB-CZ3 3.49Å; F137-W149 VanDerWaalsContact CB-CZ3 3.49Å; F137-W149 HydrophobicContact CD1-CD2 4.5Å; F137-W149 AromaticContact CD1-CE3 3.45Å; F137-W149 HydrophobicContact CD1-CE3 3.45Å; F137-W149 VanDerWaalsContact CD1-CE3 3.45Å; F137-W149 AromaticContact CD1-CZ3 3.91Å; F137-W149 HydrophobicContact CD1-CZ3 3.91Å; F137-W149 HydrophobicContact CE1-CE3 4.19Å; F137-W149 AromaticContact CG-CE3 3.9Å; F137-W149 HydrophobicContact CG-CE3 3.9Å; F137-W149 AromaticContact CG-CZ3 3.85Å; F137-W149 HydrophobicContact CG-CZ3 3.85Å; W149-V209 HydrophobicContact CD2-CG1 3.84Å; W149-V209 VanDerWaalsContact CE2-CG1 3.47Å; W149-V209 HydrophobicContact CE3-CG1 4.37Å; W149-V209 HydrophobicContact CG-CG1 4.2Å; W149-V209 HydrophobicContact CH2-CG1 4.2Å; W149-V209 HydrophobicContact CZ2-CG1 3.68Å; W149-L212 HydrophobicContact CE3-CD1 3.79Å; W149-L212 HydrophobicContact CH2-CB 3.94Å; W149-L212 HydrophobicContact CZ3-CB 3.61Å; W149-L212 HydrophobicContact CZ3-CD1 3.64Å; W149-L212 HydrophobicContact CZ3-CG 4.24Å; W149-T213 WeakPolarHBondContact CH2-OG1 3.22Å; W149-T213 VanDerWaalsContact CZ2-OG1 3.31Å; W149-T213 WeakPolarHBondContact CZ2-OG1 3.38Å; W149-F216 HydrophobicContact CH2-CE1 4.07Å; W149-F216 AromaticContact CH2-CE2 3.75Å; W149-F216 HydrophobicContact CH2-CE2 3.75Å; W149-F216 AromaticContact CH2-CZ 3.23Å; W149-F216 HydrophobicContact CH2-CZ 3.23Å; W149-F216 HydrophobicContact CZ2-CE2 4.24Å; W149-F216 AromaticContact CZ2-CZ 3.95Å; W149-F216 HydrophobicContact CZ2-CZ 3.95Å; W149-F216 HydrophobicContact CZ3-CE1 4.33Å; W149-F216 AromaticContact CZ3-CZ 3.87Å; W149-F216 HydrophobicContact CZ3-CZ 3.87Å
150	I	90.2	Very high	82	Confident	1 Å²	1	24.7 Å²	24.7	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	128.3	175.7	-64	176.9	0	0	0	107.8	Y84 M122 F131 F148 L152 V167 L171	Y84-I150 PolarHBondContact N-O 3.06Å; Y84-I150 PolarHBondContact O-N 3.45Å; M122-I150 HydrophobicContact CE-CD1 4.39Å; M122-I150 HydrophobicContact CE-CG2 4.27Å; M122-I150 HydrophobicContact CG-CD1 4.27Å; M122-I150 HydrophobicContact SD-CD1 4.1Å; F131-I150 HydrophobicContact CD2-CG2 3.99Å; F131-I150 HydrophobicContact CE2-CG2 4.04Å; F148-I150 HydrophobicContact CD2-CG1 4.27Å; F148-I150 HydrophobicContact CE2-CD1 4.16Å; F148-I150 HydrophobicContact CE2-CG1 4.38Å; I150-L152 HydrophobicContact CG2-CD2 3.68Å; I150-L152 HydrophobicContact CG2-CG 4.18Å; I150-V167 HydrophobicContact CD1-CG1 4.41Å; I150-L171 HydrophobicContact CD1-CD1 3.84Å; I150-L171 HydrophobicContact CD1-CD2 4.02Å; I150-L171 HydrophobicContact CD1-CG 4.3Å
151	V	90.3	Very high	82.7	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	124.7	172.8	179.8	0	0	0	0	109.3	Q81 Q83 N132 Y133	Q81-V151 HydrophobicContact CB-CG1 4.4Å; Q83-V151 HydrophobicContact CG-CG1 4.44Å; Q83-V151 HydrophobicContact CG-CG2 4.22Å; N132-V151 HydrophobicContact CB-CG1 4.43Å; N132-V151 WeakPolarHBondContact CB-O 3Å; N132-V151 PolarHBondContact N-O 3.03Å; Y133-V151 HydrophobicContact CD1-CB 4.16Å; Y133-V151 HydrophobicContact CE1-CB 3.82Å; Y133-V151 HydrophobicContact CE1-CG1 4.09Å; Y133-V151 HydrophobicContact CE1-CG2 3.9Å; Y133-V151 HydrophobicContact CE2-CG2 4.06Å; Y133-V151 PolarHBondContact O-N 3.2Å
152	L	90.8	Very high	83.6	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	133.9	174.3	-54.4	-173.9	0	0	0	109.3	Q81 Q82 Y84 M122 L127 Y130 F131 I150 V154 V162 V167	Q81-L152 WeakPolarHBondContact CA-O 3.48Å; Q82-L152 PolarHBondContact N-O 2.92Å; Q82-L152 PolarHBondContact O-N 3.38Å; Y84-L152 HydrophobicContact CD2-CD1 4.34Å; Y84-L152 HydrophobicContact CD2-CG 4.43Å; Y84-L152 HydrophobicContact CE2-CD1 3.81Å; Y84-L152 HydrophobicContact CE2-CG 4.18Å; M122-L152 HydrophobicContact CE-CD2 4.3Å; L127-L152 HydrophobicContact CD1-CD1 4.37Å; Y130-L152 CarbonylContact O-C 3.57Å; Y130-L152 WeakPolarHBondContact O-CA 3.37Å; F131-L152 HydrophobicContact CB-CD2 4.15Å; F131-L152 HydrophobicContact CD2-CD2 4.19Å; I150-L152 HydrophobicContact CG2-CD2 3.68Å; I150-L152 HydrophobicContact CG2-CG 4.18Å; L152-V154 HydrophobicContact CB-CG2 3.93Å; L152-V162 HydrophobicContact CD1-CG1 3.67Å; L152-V167 HydrophobicContact CD1-CG2 4.11Å
153	S	89.7	Confident	84.5	Confident	26 Å²	26	27 Å²	27	18%	0.182	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	108.8	172.3	-169.8	0	0	0	0	108.3	R79 Y130	R79-S153 WeakPolarHBondContact CD-OG 3.3Å; Y130-S153 PolarHBondContact O-N 3.45Å
154	V	89	Confident	85.2	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	131.7	-167.7	-172.5	0	0	0	0	109.3	R79 V80 Y130 L152 H158 V159 V162	R79-V154 WeakPolarHBondContact CA-O 3.4Å; V80-V154 PolarHBondContact N-O 3.02Å; V80-V154 PolarHBondContact O-N 2.68Å; Y130-V154 HydrophobicContact CD1-CB 4.42Å; Y130-V154 HydrophobicContact CD1-CG1 4.26Å; Y130-V154 HydrophobicContact CD1-CG2 4.16Å; Y130-V154 HydrophobicContact CE1-CG1 4.27Å; Y130-V154 HydrophobicContact CG-CG2 4.24Å; L152-V154 HydrophobicContact CB-CG2 3.93Å; V154-H158 HydrophobicContact CG1-CB 3.62Å; V154-V159 HydrophobicContact CG1-CG2 4.46Å; V154-V162 HydrophobicContact CG1-CG2 4.17Å; V154-V162 HydrophobicContact CG2-CG2 4.33Å
155	P	87.1	Confident	85.5	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	145.2	170.7	-24.4	34.7	0	0	0	111.7	V73 W74 E77 S157 H158 V159	V73-P155 HydrophobicContact CG1-CB 3.99Å; V73-P155 HydrophobicContact CG1-CG 3.97Å; V73-P155 VanDerWaalsContact O-CB 3.29Å; V73-P155 WeakPolarHBondContact O-CB 3.31Å; V73-P155 WeakPolarHBondContact O-CG 3.49Å; W74-P155 HydrophobicContact CE3-CG 4.48Å; E77-P155 HydrophobicContact CB-CB 4.25Å; E77-P155 WeakPolarHBondContact OE2-CB 3.43Å; P155-S157 PolarHBondContact O-N 3.07Å; P155-S157 VanDerWaalsContact O-N 3.14Å; P155-H158 HydrophobicContact CB-CB 4.39Å; P155-H158 WeakPolarHBondContact O-CA 3.01Å; P155-H158 WeakPolarHBondContact O-CB 3.33Å; P155-H158 PolarHBondContact O-N 3.27Å; P155-V159 PolarHBondContact O-N 3.43Å
156	S	81.2	Confident	85.8	Confident	58 Å²	58	36.6 Å²	36.6	41%	0.406	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-53.6	-35.5	-178.6	-71	0	0	0	0	114	E77 P78 H158	E77-S156 PolarHBondContact OE2-N 3.28Å; P78-S156 PolarHBondContact O-N 2.03Å; P78-S156 VanDerWaalsContact O-N 3.15Å; P78-S156 PolarHBondContact O-OG 2.9Å; S156-H158 PolarHBondContact O-N 2.84Å
157	S	79.4	Confident	85.9	Confident	63 Å²	63	36.6 Å²	36.6	44%	0.441	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-71	-10.4	176.2	68	0	0	0	0	114.6	E77 P155	E77-S157 VanDerWaalsContact OE1-CB 3.3Å; E77-S157 WeakPolarHBondContact OE1-CB 3.48Å; E77-S157 PolarHBondContact OE1-OG 3.07Å; E77-S157 VanDerWaalsContact OE2-CB 3.31Å; E77-S157 WeakPolarHBondContact OE2-CB 3.16Å; E77-S157 PolarHBondContact OE2-N 2.95Å; E77-S157 PolarHBondContact OE2-OG 3.29Å; P155-S157 PolarHBondContact O-N 3.07Å; P155-S157 VanDerWaalsContact O-N 3.14Å
158	H	82.3	Confident	86.1	Confident	28 Å²	28	37.8 Å²	37.8	13%	0.13	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-111.7	-8.9	-173.5	-81.9	-147.6	0	0	0	114.1	Y130 V154 P155 S156 G160 K161 V162	Y130-H158 AromaticContact CE1-ND1 3.96Å; Y130-H158 AromaticContact CZ-ND1 3.8Å; Y130-H158 PolarHBondContact OH-ND1 3.25Å; V154-H158 HydrophobicContact CG1-CB 3.62Å; P155-H158 HydrophobicContact CB-CB 4.39Å; P155-H158 WeakPolarHBondContact O-CA 3.01Å; P155-H158 WeakPolarHBondContact O-CB 3.33Å; P155-H158 PolarHBondContact O-N 3.27Å; S156-H158 PolarHBondContact O-N 2.84Å; H158-G160 VanDerWaalsContact C-N 3.32Å; H158-G160 PolarHBondContact O-N 2.81Å; H158-K161 HydrophobicContact CB-CD 4.42Å; H158-K161 PolarHBondContact CD2-NZ 2.86Å; H158-K161 PolarHBondContact NE2-NZ 3.29Å; H158-K161 WeakPolarHBondContact O-CB 3.3Å; H158-K161 PolarHBondContact O-N 3.06Å; H158-V162 PolarHBondContact O-N 2.87Å
159	V	80.2	Confident	86.2	Confident	47 Å²	47	44.1 Å²	44.1	29%	0.285	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-46.1	-179.3	176.5	0	0	0	0	112.2	V80 Q82 V154 P155 K161 V162	V80-V159 HydrophobicContact CB-CG2 3.9Å; V80-V159 HydrophobicContact CG1-CG2 4.34Å; V80-V159 HydrophobicContact CG2-CG2 3.91Å; Q82-V159 HydrophobicContact CG-CG1 4.45Å; V154-V159 HydrophobicContact CG1-CG2 4.46Å; P155-V159 PolarHBondContact O-N 3.43Å; V159-K161 PolarHBondContact O-N 2.76Å; V159-K161 VanDerWaalsContact O-N 3.17Å; V159-V162 PolarHBondContact O-N 2.94Å
160	G	76.8	Confident	86.4	Confident	77 Å²	77	44.7 Å²	44.7	79%	0.794	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-2.2	178.4	0	0	0	0	0	115.7	H158	H158-G160 VanDerWaalsContact C-N 3.32Å; H158-G160 PolarHBondContact O-N 2.81Å
161	K	81.3	Confident	86.4	Confident	119 Å²	119	44.7 Å²	44.7	52%	0.517	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-45.2	175.6	-55.4	178.5	-172.8	177.5	0	110.6	H158 V159 T163	H158-K161 HydrophobicContact CB-CD 4.42Å; H158-K161 PolarHBondContact CD2-NZ 2.86Å; H158-K161 PolarHBondContact NE2-NZ 3.29Å; H158-K161 WeakPolarHBondContact O-CB 3.3Å; H158-K161 PolarHBondContact O-N 3.06Å; V159-K161 PolarHBondContact O-N 2.76Å; V159-K161 VanDerWaalsContact O-N 3.17Å; K161-T163 PolarHBondContact O-N 2.75Å
162	V	86	Confident	86.4	Confident	4 Å²	4	47.8 Å²	47.8	2%	0.024	27%	0.267	C	S	.	.			trans	-78.8	108	-177.7	-177.1	0	0	0	0	109.3	Q82 L127 Y130 L152 V154 H158 V159 V167	Q82-V162 PolarHBondContact NE2-O 2.8Å; L127-V162 HydrophobicContact CD2-CG1 4.1Å; L127-V162 HydrophobicContact CD2-CG2 4.3Å; Y130-V162 HydrophobicContact CD2-CG2 4.09Å; Y130-V162 HydrophobicContact CE2-CG2 3.97Å; L152-V162 HydrophobicContact CD1-CG1 3.67Å; V154-V162 HydrophobicContact CG1-CG2 4.17Å; V154-V162 HydrophobicContact CG2-CG2 4.33Å; H158-V162 PolarHBondContact O-N 2.87Å; V159-V162 PolarHBondContact O-N 2.94Å; V162-V167 HydrophobicContact CG1-CG2 4.37Å
163	T	86.9	Confident	86.3	Confident	61 Å²	61	52.2 Å²	52.2	37%	0.374	29%	0.29	S	S	.	.			trans	-116.4	157.4	-178.4	65.2	0	0	0	0	112	K161 K165 E166 V167	K161-T163 PolarHBondContact O-N 2.75Å; T163-K165 PolarHBondContact O-N 3.12Å; T163-E166 WeakPolarHBondContact O-CA 3.38Å; T163-E166 WeakPolarHBondContact O-CB 3.3Å; T163-E166 PolarHBondContact O-N 2.72Å; T163-V167 PolarHBondContact O-N 3.09Å; T163-V167 VanDerWaalsContact O-N 3.12Å
164	V	85.1	Confident	86.2	Confident	42 Å²	42	51.5 Å²	51.5	26%	0.255	29%	0.287	S	S	.	.	H	α-helix	trans	-46.1	-40.6	173.4	-179.5	0	0	0	0	112.2	Y84 E166 V167 A168 V201 E203	Y84-V164 HydrophobicContact CD1-CG2 4.13Å; Y84-V164 HydrophobicContact CE1-CG2 3.83Å; V164-E166 VanDerWaalsContact C-N 3.34Å; V164-E166 PolarHBondContact O-N 3.1Å; V164-V167 PolarHBondContact O-N 2.86Å; V164-A168 WeakPolarHBondContact O-CB 3.24Å; V164-A168 PolarHBondContact O-N 3.27Å; V164-V201 HydrophobicContact CG1-CB 4.3Å; V164-V201 HydrophobicContact CG1-CG1 4.29Å; V164-V201 WeakPolarHBondContact CG1-O 3.46Å; V164-E203 HydrophobicContact CG2-CB 3.82Å
165	K	87.3	Confident	86.2	Confident	164 Å²	164	51.6 Å²	51.6	71%	0.713	29%	0.288	S	S	*	.	H	α-helix	trans	-66.9	-29.4	179.3	-68.2	179.1	179.3	174.6	0	113.4	T163 R169	T163-K165 PolarHBondContact O-N 3.12Å; K165-R169 VanDerWaalsContact O-CB 3.3Å; K165-R169 WeakPolarHBondContact O-CB 3.11Å; K165-R169 PolarHBondContact O-N 2.89Å
166	E	89.6	Confident	86.2	Confident	71 Å²	71	54.9 Å²	54.9	33%	0.332	30%	0.3	S	S	.	.	H	α-helix	trans	-78	-38.1	172.7	-65.6	-161.2	142.7	0	0	112.3	T163 V164 S170	T163-E166 WeakPolarHBondContact O-CA 3.38Å; T163-E166 WeakPolarHBondContact O-CB 3.3Å; T163-E166 PolarHBondContact O-N 2.72Å; V164-E166 VanDerWaalsContact C-N 3.34Å; V164-E166 PolarHBondContact O-N 3.1Å; E166-S170 VanDerWaalsContact O-CB 3.26Å; E166-S170 WeakPolarHBondContact O-CB 3.47Å; E166-S170 PolarHBondContact O-N 2.87Å; E166-S170 PolarHBondContact O-OG 2.88Å
167	V	90.4	Very high	86.4	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-63.7	-48.9	176.4	-176.8	0	0	0	0	110.4	Y84 L127 I150 L152 V162 T163 V164 S170 L171 V201	Y84-V167 HydrophobicContact CD1-CG2 4.46Å; Y84-V167 HydrophobicContact CD2-CG2 4.11Å; Y84-V167 HydrophobicContact CE1-CG2 4.29Å; Y84-V167 HydrophobicContact CE2-CG2 3.88Å; Y84-V167 HydrophobicContact CG-CG1 4.48Å; Y84-V167 HydrophobicContact CG-CG2 4.4Å; L127-V167 HydrophobicContact CD1-CB 4.38Å; L127-V167 HydrophobicContact CD1-CG2 3.94Å; I150-V167 HydrophobicContact CD1-CG1 4.41Å; L152-V167 HydrophobicContact CD1-CG2 4.11Å; V162-V167 HydrophobicContact CG1-CG2 4.37Å; T163-V167 PolarHBondContact O-N 3.09Å; T163-V167 VanDerWaalsContact O-N 3.12Å; V164-V167 PolarHBondContact O-N 2.86Å; V167-S170 PolarHBondContact O-N 3.25Å; V167-L171 HydrophobicContact CG1-CD1 4.42Å; V167-L171 WeakPolarHBondContact O-CG 3.06Å; V167-L171 PolarHBondContact O-N 2.99Å; V167-L171 VanDerWaalsContact O-N 3.09Å; V167-V201 HydrophobicContact CB-CG1 4.39Å; V167-V201 HydrophobicContact CG1-CG1 4.05Å
168	A	89.9	Confident	86.6	Confident	28 Å²	28	61.9 Å²	61.9	23%	0.231	31%	0.308	C	S	.	.	H	α-helix	trans	-58.8	-48.6	176.7	0	0	0	0	0	112.3	V164 S170 L171 E172 V201	V164-A168 WeakPolarHBondContact O-CB 3.24Å; V164-A168 PolarHBondContact O-N 3.27Å; A168-S170 PolarHBondContact O-N 3.06Å; A168-L171 PolarHBondContact O-N 3Å; A168-E172 PolarHBondContact O-N 2.98Å; A168-V201 HydrophobicContact CB-CB 4.2Å; A168-V201 HydrophobicContact CB-CG2 3.86Å
169	R	89.8	Confident	86.3	Confident	135 Å²	135	61.1 Å²	61.1	51%	0.509	31%	0.308	S	S	.	.	H	α-helix	trans	-61.1	-43.6	177.4	-170.7	-172.7	-56.7	117.6	3	112.1	K165 L171 E172 D173	K165-R169 VanDerWaalsContact O-CB 3.3Å; K165-R169 WeakPolarHBondContact O-CB 3.11Å; K165-R169 PolarHBondContact O-N 2.89Å; R169-L171 VanDerWaalsContact C-N 3.27Å; R169-L171 PolarHBondContact O-N 3.06Å; R169-E172 PolarHBondContact O-N 3.31Å; R169-D173 WeakPolarHBondContact CG-OD2 2.99Å; R169-D173 WeakPolarHBondContact O-CB 3.42Å; R169-D173 PolarHBondContact O-N 2.95Å
170	S	91.4	Very high	86	Confident	14 Å²	14	69.9 Å²	69.9	10%	0.098	34%	0.336	C	S	.	.	H	α-helix	trans	-61.6	-35	179	-61.7	0	0	0	0	112.7	E166 V167 A168 G174	E166-S170 VanDerWaalsContact O-CB 3.26Å; E166-S170 WeakPolarHBondContact O-CB 3.47Å; E166-S170 PolarHBondContact O-N 2.87Å; E166-S170 PolarHBondContact O-OG 2.88Å; V167-S170 PolarHBondContact O-N 3.25Å; A168-S170 PolarHBondContact O-N 3.06Å; S170-G174 PolarHBondContact O-N 3.29Å
171	L	90.8	Very high	85.4	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-71.1	-47.6	173	-73.7	169.6	0	0	0	111.7	L118 I121 M122 F148 I150 V167 A168 R169 G174 L175 L199 V201	L118-L171 HydrophobicContact CD2-CD2 3.9Å; I121-L171 HydrophobicContact CG2-CD2 4.18Å; M122-L171 HydrophobicContact CG-CD2 4.24Å; M122-L171 HydrophobicContact SD-CD2 3.62Å; M122-L171 HydrophobicContact SD-CG 3.97Å; F148-L171 HydrophobicContact CE2-CD1 4.37Å; I150-L171 HydrophobicContact CD1-CD1 3.84Å; I150-L171 HydrophobicContact CD1-CD2 4.02Å; I150-L171 HydrophobicContact CD1-CG 4.3Å; V167-L171 HydrophobicContact CG1-CD1 4.42Å; V167-L171 WeakPolarHBondContact O-CG 3.06Å; V167-L171 PolarHBondContact O-N 2.99Å; V167-L171 VanDerWaalsContact O-N 3.09Å; A168-L171 PolarHBondContact O-N 3Å; R169-L171 VanDerWaalsContact C-N 3.27Å; R169-L171 PolarHBondContact O-N 3.06Å; L171-G174 PolarHBondContact O-N 3.21Å; L171-L175 WeakPolarHBondContact O-CB 3Å; L171-L175 VanDerWaalsContact O-CG 3.27Å; L171-L175 WeakPolarHBondContact O-CG 3.38Å; L171-L175 PolarHBondContact O-N 2.04Å; L171-L199 HydrophobicContact CB-CD2 3.87Å; L171-L199 HydrophobicContact CD1-CD1 4.37Å; L171-V201 HydrophobicContact CD1-CG2 3.98Å
172	E	89.9	Confident	84.3	Confident	66 Å²	66	70.8 Å²	70.8	31%	0.308	32%	0.324	S	S	.	.	H	α-helix	trans	-63.7	-50.4	-178.3	-161.8	-163.9	155.5	0	0	112.1	A168 R169 G174 L175 R176 L196 L199	A168-E172 PolarHBondContact O-N 2.98Å; R169-E172 PolarHBondContact O-N 3.31Å; E172-G174 VanDerWaalsContact C-N 3.27Å; E172-G174 PolarHBondContact O-N 2.04Å; E172-L175 PolarHBondContact O-N 3.26Å; E172-R176 WeakPolarHBondContact O-CB 3.19Å; E172-R176 WeakPolarHBondContact O-CG 3.13Å; E172-R176 PolarHBondContact O-N 2.91Å; E172-R176 IonicContact OE1-CZ 2.76Å; E172-R176 IonicContact OE1-NE 2.72Å; E172-R176 PolarHBondContact OE1-NE 3.44Å; E172-R176 IonicContact OE1-NH2 3.21Å; E172-R176 PolarHBondContact OE1-NH2 3.38Å; E172-L196 HydrophobicContact CG-CD2 4.48Å; E172-L199 HydrophobicContact CB-CD2 4.14Å
173	D	88.8	Confident	82.9	Confident	92 Å²	92	82.4 Å²	82.4	49%	0.492	37%	0.367	S	S	.	.	H	α-helix	trans	-57.9	-42.2	177.3	-76.9	-27	0	0	0	111.1	R169 R176 W177	R169-D173 WeakPolarHBondContact CG-OD2 2.99Å; R169-D173 WeakPolarHBondContact O-CB 3.42Å; R169-D173 PolarHBondContact O-N 2.95Å; D173-R176 PolarHBondContact O-N 3.42Å; D173-W177 VanDerWaalsContact O-CB 3.29Å; D173-W177 WeakPolarHBondContact O-CB 3.26Å; D173-W177 PolarHBondContact O-N 2.95Å
174	G	87.8	Confident	81.9	Confident	11 Å²	11	80.7 Å²	80.7	11%	0.113	36%	0.362	C	S	.	.	H	α-helix	trans	-64.5	-45.7	176.2	0	0	0	0	0	113.2	S170 L171 E172 W177 Y178	S170-G174 PolarHBondContact O-N 3.29Å; L171-G174 PolarHBondContact O-N 3.21Å; E172-G174 VanDerWaalsContact C-N 3.27Å; E172-G174 PolarHBondContact O-N 2.04Å; G174-W177 PolarHBondContact O-N 2.79Å; G174-Y178 WeakPolarHBondContact O-CB 3.07Å; G174-Y178 WeakPolarHBondContact O-CD2 2.96Å; G174-Y178 PolarHBondContact O-N 3.5Å
175	L	88.7	Confident	81.7	Confident	2 Å²	2	85.1 Å²	85.1	1%	0.01	38%	0.38	C	S	.	.	H	α-helix	trans	-61.9	-43.3	175.6	-72.8	163.7	0	0	0	111.2	L88 I121 L171 E172 G179 A187 V189 F194 L196	L88-L175 HydrophobicContact CD2-CD1 3.65Å; L88-L175 HydrophobicContact CD2-CD2 4.31Å; I121-L175 HydrophobicContact CD1-CD2 3.62Å; I121-L175 HydrophobicContact CD1-CG 3.89Å; L171-L175 WeakPolarHBondContact O-CB 3Å; L171-L175 VanDerWaalsContact O-CG 3.27Å; L171-L175 WeakPolarHBondContact O-CG 3.38Å; L171-L175 PolarHBondContact O-N 2.04Å; E172-L175 PolarHBondContact O-N 3.26Å; L175-G179 WeakPolarHBondContact O-CA 3.37Å; L175-G179 PolarHBondContact O-N 2.95Å; L175-A187 HydrophobicContact CB-CB 4.37Å; L175-A187 WeakPolarHBondContact O-CB 3.49Å; L175-V189 HydrophobicContact CD2-CG2 4.41Å; L175-F194 HydrophobicContact CD2-CB 4.48Å; L175-F194 HydrophobicContact CD2-CD2 4.04Å; L175-F194 HydrophobicContact CD2-CG 4.22Å; L175-L196 HydrophobicContact CB-CD2 3.6Å; L175-L196 HydrophobicContact CD1-CD2 3.83Å; L175-L196 HydrophobicContact CG-CD2 4.33Å
176	R	87.7	Confident	81.5	Confident	70 Å²	70	79.7 Å²	79.7	26%	0.264	36%	0.361	S	S	.	.	H	α-helix	trans	-60.9	-45	175.1	-72.3	-179.4	-179.2	-68	-2.2	112	E172 D173 R180 S181 G184 L196	E172-R176 WeakPolarHBondContact O-CB 3.19Å; E172-R176 WeakPolarHBondContact O-CG 3.13Å; E172-R176 PolarHBondContact O-N 2.91Å; E172-R176 IonicContact OE1-CZ 2.76Å; E172-R176 IonicContact OE1-NE 2.72Å; E172-R176 PolarHBondContact OE1-NE 3.44Å; E172-R176 IonicContact OE1-NH2 3.21Å; E172-R176 PolarHBondContact OE1-NH2 3.38Å; D173-R176 PolarHBondContact O-N 3.42Å; R176-R180 PolarHBondContact O-N 3.48Å; R176-R180 VanDerWaalsContact O-N 3.1Å; R176-S181 PolarHBondContact O-N 2.91Å; R176-G184 PolarHBondContact NH1-O 2.8Å; R176-L196 HydrophobicContact CG-CD1 3.55Å; R176-L196 VanDerWaalsContact CZ-CD1 3.42Å
177	W	85.3	Confident	81.2	Confident	188 Å²	188	76.3 Å²	76.3	71%	0.712	35%	0.345	S	S	*	.	H	α-helix	trans	-65.3	-55.3	180	-172.1	91.1	0	0	0	112.3	D173 G174 G179 R180	D173-W177 VanDerWaalsContact O-CB 3.29Å; D173-W177 WeakPolarHBondContact O-CB 3.26Å; D173-W177 PolarHBondContact O-N 2.95Å; G174-W177 PolarHBondContact O-N 2.79Å; W177-G179 VanDerWaalsContact C-N 3.29Å; W177-G179 PolarHBondContact O-N 2.92Å; W177-R180 PolarHBondContact O-N 2.86Å
178	Y	82.3	Confident	81	Confident	80 Å²	80	80.6 Å²	80.6	31%	0.314	37%	0.368	S	S	.	.	H	α-helix	trans	-64.6	-34.3	178	-82.6	-77.5	0	0	0	112.2	I121 A124 G174 R180	I121-Y178 HydrophobicContact CG1-CD2 3.63Å; I121-Y178 HydrophobicContact CG1-CE2 3.96Å; A124-Y178 HydrophobicContact CB-CE2 4.23Å; G174-Y178 WeakPolarHBondContact O-CB 3.07Å; G174-Y178 WeakPolarHBondContact O-CD2 2.96Å; G174-Y178 PolarHBondContact O-N 3.5Å; Y178-R180 VanDerWaalsContact C-N 3.28Å; Y178-R180 PolarHBondContact O-N 3Å
179	G	77	Confident	80.6	Confident	12 Å²	12	79.4 Å²	79.4	12%	0.124	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	0.3	178.7	0	0	0	0	0	115.2	L175 W177 S181 N188	L175-G179 WeakPolarHBondContact O-CA 3.37Å; L175-G179 PolarHBondContact O-N 2.95Å; W177-G179 VanDerWaalsContact C-N 3.29Å; W177-G179 PolarHBondContact O-N 2.92Å; G179-S181 PolarHBondContact O-N 2.82Å; G179-S181 VanDerWaalsContact O-N 3.09Å; G179-N188 WeakPolarHBondContact CA-O 3.37Å
180	R	73.9	Confident	80	Confident	231 Å²	231	78.5 Å²	78.5	87%	0.872	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	24.5	-177.4	-58.6	-178.1	176	-178.9	-1.3	114.4	R176 W177 Y178	R176-R180 PolarHBondContact O-N 3.48Å; R176-R180 VanDerWaalsContact O-N 3.1Å; W177-R180 PolarHBondContact O-N 2.86Å; Y178-R180 VanDerWaalsContact C-N 3.28Å; Y178-R180 PolarHBondContact O-N 3Å
181	S	64.3	Low	79.3	Confident	22 Å²	22	79.6 Å²	79.6	15%	0.154	38%	0.377	C	S	.	.			trans	-99.8	95.7	-170.6	-168.8	0	0	0	0	111.1	R176 G179 G184 T186	R176-S181 PolarHBondContact O-N 2.91Å; G179-S181 PolarHBondContact O-N 2.82Å; G179-S181 VanDerWaalsContact O-N 3.09Å; S181-G184 WeakPolarHBondContact OG-CA 3.43Å; S181-G184 PolarHBondContact OG-N 2.89Å; S181-T186 VanDerWaalsContact CB-O 3.28Å; S181-T186 WeakPolarHBondContact CB-O 3.33Å; S181-T186 PolarHBondContact OG-O 2.9Å
182	Q	56.8	Low	78.9	Confident	194 Å²	194	80 Å²	80	91%	0.907	38%	0.379	S	S	*	.	S	Bend	trans	-80.4	-17.6	-177.5	-69	-167.6	-10.6	0	0	114.6
183	R	58.2	Low	78.8	Confident	247 Å²	247	79.1 Å²	79.1	93%	0.932	38%	0.376	S	S	*	.	S	Bend	trans	-147.8	2.3	178.1	-82.8	-166.3	174.9	178	-2.7	115.1
184	G	64.9	Low	78.7	Confident	26 Å²	26	74.9 Å²	74.9	27%	0.268	35%	0.353	S	S	.	.			trans	-79.2	151.9	180	0	0	0	0	0	112.7	R176 S181	R176-G184 PolarHBondContact NH1-O 2.8Å; S181-G184 WeakPolarHBondContact OG-CA 3.43Å; S181-G184 PolarHBondContact OG-N 2.89Å
185	E	80.5	Confident	78.7	Confident	135 Å²	135	76.7 Å²	76.7	63%	0.631	36%	0.358	S	S	*	.	S	Bend	trans	-75	-16.1	164.9	-66.9	169.7	157.4	0	0	111.6	L196 P197	E185-L196 WeakPolarHBondContact O-CB 3.14Å; E185-L196 PolarHBondContact O-N 2.67Å; E185-P197 HydrophobicContact CB-CG 4.03Å; E185-P197 HydrophobicContact CG-CG 4.14Å; E185-P197 VanDerWaalsContact O-CD 3.27Å; E185-P197 WeakPolarHBondContact O-CD 3.15Å
186	T	82.8	Confident	78.5	Confident	50 Å²	50	77 Å²	77	31%	0.307	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	153.8	174.6	54.9	0	0	0	0	113	V91 S181 L193 F194 H195	V91-T186 HydrophobicContact CG2-CG2 4.3Å; S181-T186 VanDerWaalsContact CB-O 3.28Å; S181-T186 WeakPolarHBondContact CB-O 3.33Å; S181-T186 PolarHBondContact OG-O 2.9Å; T186-L193 HydrophobicContact CG2-CD1 4.41Å; T186-L193 HydrophobicContact CG2-CG 4.18Å; T186-F194 CarbonylContact C-O 3.54Å; T186-F194 WeakPolarHBondContact CA-O 3.05Å; T186-F194 WeakPolarHBondContact CB-O 3.37Å; T186-H195 HydrophobicContact CG2-CB 4.49Å
187	A	84.6	Confident	78.3	Confident	0 Å²	0	77.6 Å²	77.6	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	119.1	176.3	0	0	0	0	0	110.1	L175 V189 F194 L196	L175-A187 HydrophobicContact CB-CB 4.37Å; L175-A187 WeakPolarHBondContact O-CB 3.49Å; A187-V189 PolarHBondContact O-N 2.72Å; A187-F194 PolarHBondContact N-O 2.86Å; A187-F194 PolarHBondContact O-N 2.76Å; A187-L196 HydrophobicContact CB-CD1 4.29Å; A187-L196 HydrophobicContact CB-CD2 4.12Å; A187-L196 HydrophobicContact CB-CG 4.35Å
188	N	85.1	Confident	78.2	Confident	89 Å²	89	70.6 Å²	70.6	48%	0.476	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	98.8	177.6	-177.1	-9	0	0	0	110.6	G179 G191 F192 L193	G179-N188 WeakPolarHBondContact CA-O 3.37Å; N188-G191 VanDerWaalsContact OD1-CA 3.31Å; N188-G191 WeakPolarHBondContact OD1-CA 3.18Å; N188-G191 PolarHBondContact OD1-N 3.11Å; N188-F192 CarbonylContact C-O 3.59Å; N188-F192 WeakPolarHBondContact CA-O 3.45Å; N188-L193 HydrophobicContact CB-CD1 3.99Å
189	V	82.9	Confident	78.3	Confident	3 Å²	3	68.3 Å²	68.3	2%	0.018	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	106.9	177.2	-173.2	0	0	0	0	109.7	Y113 T117 L175 A187 G191 F192 F194	Y113-V189 PolarHBondContact OH-O 2.85Å; Y113-V189 VanDerWaalsContact OH-O 3.1Å; T117-V189 HydrophobicContact CG2-CB 4.22Å; T117-V189 HydrophobicContact CG2-CG1 3.66Å; L175-V189 HydrophobicContact CD2-CG2 4.41Å; A187-V189 PolarHBondContact O-N 2.72Å; V189-G191 PolarHBondContact O-N 3.42Å; V189-G191 VanDerWaalsContact O-N 3.14Å; V189-F192 PolarHBondContact N-O 2.75Å; V189-F192 PolarHBondContact O-N 2.67Å; V189-F194 HydrophobicContact CB-CD2 4.34Å; V189-F194 HydrophobicContact CB-CE2 4.09Å; V189-F194 HydrophobicContact CG2-CD2 4.31Å; V189-F194 HydrophobicContact CG2-CE2 4.47Å
190	N	75.5	Confident	78.6	Confident	116 Å²	116	69.9 Å²	69.9	62%	0.62	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	28.4	177	-57.9	-51.1	0	0	0	114.7	Y113	Y113-N190 WeakPolarHBondContact OH-CB 3.26Å; Y113-N190 PolarHBondContact OH-O 2.83Å; Y113-N190 VanDerWaalsContact OH-O 3.12Å
191	G	76.9	Confident	79.2	Confident	38 Å²	38	59.6 Å²	59.6	39%	0.392	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	105.7	2.1	179.2	0	0	0	0	0	115.2	N92 N188 V189	N92-G191 PolarHBondContact ND2-O 2.86Å; N188-G191 VanDerWaalsContact OD1-CA 3.31Å; N188-G191 WeakPolarHBondContact OD1-CA 3.18Å; N188-G191 PolarHBondContact OD1-N 3.11Å; V189-G191 PolarHBondContact O-N 3.42Å; V189-G191 VanDerWaalsContact O-N 3.14Å
192	F	83.3	Confident	79.8	Confident	9 Å²	9	60.3 Å²	60.3	4%	0.039	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	123	174.3	-78.5	-122.8	0	0	0	109.4	I90 R93 E110 Y113 V114 N188 V189 F194	I90-F192 HydrophobicContact CD1-CD1 4.11Å; I90-F192 HydrophobicContact CD1-CE1 4.48Å; I90-F192 HydrophobicContact CG2-CB 4.4Å; I90-F192 HydrophobicContact CG2-CD1 3.89Å; R93-F192 VanDerWaalsContact NH2-CE2 3.35Å; E110-F192 WeakPolarHBondContact OE2-CE1 3.47Å; E110-F192 WeakPolarHBondContact OE2-CZ 3.32Å; Y113-F192 HydrophobicContact CD1-CD1 4.06Å; Y113-F192 AromaticContact CD1-CD2 3.87Å; Y113-F192 HydrophobicContact CD1-CD2 3.87Å; Y113-F192 AromaticContact CD1-CE1 3.67Å; Y113-F192 HydrophobicContact CD1-CE1 3.67Å; Y113-F192 AromaticContact CD1-CE2 3.47Å; Y113-F192 HydrophobicContact CD1-CE2 3.47Å; Y113-F192 VanDerWaalsContact CD1-CE2 3.47Å; Y113-F192 HydrophobicContact CD1-CG 4.13Å; Y113-F192 AromaticContact CD1-CZ 3.32Å; Y113-F192 HydrophobicContact CD1-CZ 3.32Å; Y113-F192 HydrophobicContact CD2-CE2 4.17Å; Y113-F192 HydrophobicContact CD2-CZ 4.43Å; Y113-F192 HydrophobicContact CE1-CB 4.2Å; Y113-F192 AromaticContact CE1-CD1 3.86Å; Y113-F192 HydrophobicContact CE1-CD1 3.86Å; Y113-F192 AromaticContact CE1-CD2 3.13Å; Y113-F192 HydrophobicContact CE1-CD2 3.13Å; Y113-F192 AromaticContact CE1-CE1 3.9Å; Y113-F192 HydrophobicContact CE1-CE1 3.9Å; Y113-F192 AromaticContact CE1-CE2 3.19Å; Y113-F192 HydrophobicContact CE1-CE2 3.19Å; Y113-F192 AromaticContact CE1-CG 3.47Å; Y113-F192 HydrophobicContact CE1-CG 3.47Å; Y113-F192 VanDerWaalsContact CE1-CG 3.47Å; Y113-F192 AromaticContact CE1-CZ 3.55Å; Y113-F192 HydrophobicContact CE1-CZ 3.55Å; Y113-F192 HydrophobicContact CE2-CD2 4.28Å; Y113-F192 AromaticContact CE2-CE2 3.89Å; Y113-F192 HydrophobicContact CE2-CE2 3.89Å; Y113-F192 AromaticContact CG-CE2 3.96Å; Y113-F192 HydrophobicContact CG-CE2 3.96Å; Y113-F192 AromaticContact CG-CZ 3.83Å; Y113-F192 HydrophobicContact CG-CZ 3.83Å; Y113-F192 AromaticContact CZ-CD2 3.35Å; Y113-F192 AromaticContact CZ-CE2 3.38Å; Y113-F192 WeakPolarHBondContact OH-CD2 3.39Å; V114-F192 HydrophobicContact CG2-CE1 4.35Å; N188-F192 CarbonylContact C-O 3.59Å; N188-F192 WeakPolarHBondContact CA-O 3.45Å; V189-F192 PolarHBondContact N-O 2.75Å; V189-F192 PolarHBondContact O-N 2.67Å; F192-F194 HydrophobicContact CB-CD2 4.24Å; F192-F194 HydrophobicContact CB-CE2 3.55Å; F192-F194 HydrophobicContact CB-CZ 3.78Å; F192-F194 HydrophobicContact CD1-CZ 4.34Å; F192-F194 HydrophobicContact CG-CZ 4.44Å; F192-F194 WeakPolarHBondContact O-CD2 3.09Å; F192-F194 PolarHBondContact O-N 3.14Å
193	L	86.6	Confident	80.9	Confident	47 Å²	47	55.3 Å²	55.3	25%	0.246	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	87.3	-176	-170.1	67.3	0	0	0	109.9	I90 V91 N92 T186 N188	I90-L193 CarbonylContact C-O 3.51Å; V91-L193 HydrophobicContact CB-CD2 4.27Å; V91-L193 PolarHBondContact N-O 3.23Å; N92-L193 HydrophobicContact CB-CB 3.97Å; N92-L193 WeakPolarHBondContact OD1-CB 3.31Å; N92-L193 PolarHBondContact OD1-N 3.35Å; T186-L193 HydrophobicContact CG2-CD1 4.41Å; T186-L193 HydrophobicContact CG2-CG 4.18Å; N188-L193 HydrophobicContact CB-CD1 3.99Å
194	F	88.1	Confident	81.6	Confident	3 Å²	3	44.1 Å²	44.1	1%	0.013	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	141.2	178.6	-61.3	-80.2	0	0	0	111.1	L88 T89 I90 T117 L175 T186 A187 V189 F192	L88-F194 HydrophobicContact CD2-CB 3.99Å; L88-F194 HydrophobicContact CD2-CD1 3.4Å; L88-F194 HydrophobicContact CD2-CE1 4.11Å; L88-F194 HydrophobicContact CD2-CG 3.91Å; L88-F194 HydrophobicContact CG-CB 4.26Å; L88-F194 HydrophobicContact CG-CD1 3.83Å; L88-F194 HydrophobicContact CG-CG 4.46Å; T89-F194 CarbonylContact O-C 3.58Å; T89-F194 WeakPolarHBondContact O-CA 3.25Å; I90-F194 HydrophobicContact CD1-CE1 4.01Å; I90-F194 HydrophobicContact CG1-CD1 3.73Å; I90-F194 HydrophobicContact CG1-CE1 3.63Å; T117-F194 HydrophobicContact CG2-CE2 4.37Å; L175-F194 HydrophobicContact CD2-CB 4.48Å; L175-F194 HydrophobicContact CD2-CD2 4.04Å; L175-F194 HydrophobicContact CD2-CG 4.22Å; T186-F194 CarbonylContact C-O 3.54Å; T186-F194 WeakPolarHBondContact CA-O 3.05Å; T186-F194 WeakPolarHBondContact CB-O 3.37Å; A187-F194 PolarHBondContact N-O 2.86Å; A187-F194 PolarHBondContact O-N 2.76Å; V189-F194 HydrophobicContact CB-CD2 4.34Å; V189-F194 HydrophobicContact CB-CE2 4.09Å; V189-F194 HydrophobicContact CG2-CD2 4.31Å; V189-F194 HydrophobicContact CG2-CE2 4.47Å; F192-F194 HydrophobicContact CB-CD2 4.24Å; F192-F194 HydrophobicContact CB-CE2 3.55Å; F192-F194 HydrophobicContact CB-CZ 3.78Å; F192-F194 HydrophobicContact CD1-CZ 4.34Å; F192-F194 HydrophobicContact CG-CZ 4.44Å; F192-F194 WeakPolarHBondContact O-CD2 3.09Å; F192-F194 PolarHBondContact O-N 3.14Å
195	H	87.6	Confident	81.7	Confident	49 Å²	49	46.4 Å²	46.4	23%	0.227	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	108.6	177.1	-177	-109	0	0	0	110.8	L88 T89 V91 T186 T198	L88-H195 WeakPolarHBondContact CD1-O 3.32Å; T89-H195 PolarHBondContact O-N 2.04Å; V91-H195 HydrophobicContact CG2-CB 3.76Å; T186-H195 HydrophobicContact CG2-CB 4.49Å; H195-T198 WeakPolarHBondContact CB-OG1 3.33Å; H195-T198 WeakPolarHBondContact ND1-CG2 3.44Å; H195-T198 PolarHBondContact ND1-OG1 3.49Å; H195-T198 PolarHBondContact O-N 3.25Å; H195-T198 PolarHBondContact O-OG1 2.8Å
196	L	84.2	Confident	81.1	Confident	7 Å²	7	43 Å²	43	4%	0.037	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	-39.2	-170.1	-56.8	172.1	0	0	0	113.7	E172 L175 R176 E185 A187 T198 L199	E172-L196 HydrophobicContact CG-CD2 4.48Å; L175-L196 HydrophobicContact CB-CD2 3.6Å; L175-L196 HydrophobicContact CD1-CD2 3.83Å; L175-L196 HydrophobicContact CG-CD2 4.33Å; R176-L196 HydrophobicContact CG-CD1 3.55Å; R176-L196 VanDerWaalsContact CZ-CD1 3.42Å; E185-L196 WeakPolarHBondContact O-CB 3.14Å; E185-L196 PolarHBondContact O-N 2.67Å; A187-L196 HydrophobicContact CB-CD1 4.29Å; A187-L196 HydrophobicContact CB-CD2 4.12Å; A187-L196 HydrophobicContact CB-CG 4.35Å; L196-T198 PolarHBondContact O-N 3.23Å; L196-T198 VanDerWaalsContact O-N 3.07Å; L196-L199 WeakPolarHBondContact O-CB 3.32Å; L196-L199 PolarHBondContact O-N 2.87Å
197	P	83.9	Confident	80.2	Confident	83 Å²	83	45.1 Å²	45.1	54%	0.539	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	-13.6	175.7	-23.7	33.9	0	0	0	115.1	E185	E185-P197 HydrophobicContact CB-CG 4.03Å; E185-P197 HydrophobicContact CG-CG 4.14Å; E185-P197 VanDerWaalsContact O-CD 3.27Å; E185-P197 WeakPolarHBondContact O-CD 3.15Å
198	T	82.4	Confident	79.1	Confident	41 Å²	41	45.4 Å²	45.4	25%	0.252	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	5.1	173.7	41.5	0	0	0	0	114	Y87 T89 H195 L196 C200	Y87-T198 WeakPolarHBondContact CD2-O 3.43Å; Y87-T198 VanDerWaalsContact CE2-O 3.25Å; Y87-T198 WeakPolarHBondContact CE2-O 3.45Å; T89-T198 WeakPolarHBondContact CB-OG1 3.41Å; T89-T198 PolarHBondContact OG1-OG1 2.04Å; H195-T198 WeakPolarHBondContact CB-OG1 3.33Å; H195-T198 WeakPolarHBondContact ND1-CG2 3.44Å; H195-T198 PolarHBondContact ND1-OG1 3.49Å; H195-T198 PolarHBondContact O-N 3.25Å; H195-T198 PolarHBondContact O-OG1 2.8Å; L196-T198 PolarHBondContact O-N 3.23Å; L196-T198 VanDerWaalsContact O-N 3.07Å; T198-C200 PolarHBondContact O-N 2.8Å
199	L	85.5	Confident	78.3	Confident	33 Å²	33	41.3 Å²	41.3	17%	0.173	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	107.8	173.9	-179.1	61	0	0	0	110.5	L88 L171 E172 L196 V201	L88-L199 HydrophobicContact CD1-CB 4.01Å; L88-L199 HydrophobicContact CD1-CD1 4.37Å; L171-L199 HydrophobicContact CB-CD2 3.87Å; L171-L199 HydrophobicContact CD1-CD1 4.37Å; E172-L199 HydrophobicContact CB-CD2 4.14Å; L196-L199 WeakPolarHBondContact O-CB 3.32Å; L196-L199 PolarHBondContact O-N 2.87Å; L199-V201 HydrophobicContact CD1-CG2 4.33Å; L199-V201 HydrophobicContact CG-CG2 4.5Å
200	C	83.3	Confident	77.6	Confident	45 Å²	45	47.9 Å²	47.9	30%	0.304	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	148.2	165.5	-163.9	0	0	0	0	110.2	A86 Y87 T198	A86-C200 WeakPolarHBondContact CA-O 3.37Å; A86-C200 VanDerWaalsContact CB-O 3.23Å; A86-C200 WeakPolarHBondContact CB-O 3.39Å; Y87-C200 HydrophobicContact CD1-CB 3.94Å; Y87-C200 HydrophobicContact CE1-CB 3.36Å; Y87-C200 HydrophobicContact CE2-CB 4.06Å; Y87-C200 VanDerWaalsContact CZ-CB 3.41Å; Y87-C200 PolarHBondContact N-O 3.21Å; Y87-C200 PolarHBondContact O-N 3.5Å; T198-C200 PolarHBondContact O-N 2.8Å
201	V	84.9	Confident	77.1	Confident	14 Å²	14	43.8 Å²	43.8	9%	0.085	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	131.9	172.7	-173.4	0	0	0	0	108.1	Y84 T85 A86 V164 V167 A168 L171 L199	Y84-V201 HydrophobicContact CD1-CG1 4.4Å; Y84-V201 HydrophobicContact CG-CG1 4.47Å; T85-V201 WeakPolarHBondContact O-CA 3.43Å; A86-V201 HydrophobicContact CB-CB 4.46Å; A86-V201 HydrophobicContact CB-CG1 4.49Å; A86-V201 HydrophobicContact CB-CG2 4.01Å; V164-V201 HydrophobicContact CG1-CB 4.3Å; V164-V201 HydrophobicContact CG1-CG1 4.29Å; V164-V201 WeakPolarHBondContact CG1-O 3.46Å; V167-V201 HydrophobicContact CB-CG1 4.39Å; V167-V201 HydrophobicContact CG1-CG1 4.05Å; A168-V201 HydrophobicContact CB-CB 4.2Å; A168-V201 HydrophobicContact CB-CG2 3.86Å; L171-V201 HydrophobicContact CD1-CG2 3.98Å; L199-V201 HydrophobicContact CD1-CG2 4.33Å; L199-V201 HydrophobicContact CG-CG2 4.5Å
202	T	78.2	Confident	76.6	Confident	37 Å²	37	42.3 Å²	42.3	23%	0.227	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	153.5	174.1	59.5	0	0	0	0	109.8	Y84 T85	Y84-T202 CarbonylContact C-O 3.57Å; Y84-T202 WeakPolarHBondContact CA-O 3.35Å; Y84-T202 WeakPolarHBondContact CB-O 3.23Å; T85-T202 PolarHBondContact N-O 3.43Å; T85-T202 VanDerWaalsContact N-O 3.1Å; T85-T202 PolarHBondContact O-N 3.46Å; T85-T202 PolarHBondContact OG1-OG1 2.82Å
203	E	79.5	Confident	75.9	Confident	89 Å²	89	44.9 Å²	44.9	42%	0.416	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	152.3	167	-162.6	151	-155.6	0	0	109.2	Q82 Y84 V164	Q82-E203 PolarHBondContact NE2-OE1 3.24Å; Y84-E203 HydrophobicContact CD1-CB 4.01Å; Y84-E203 HydrophobicContact CD1-CG 4.18Å; Y84-E203 HydrophobicContact CE1-CB 3.9Å; Y84-E203 HydrophobicContact CE1-CG 3.76Å; Y84-E203 PolarHBondContact OH-OE1 3.18Å; V164-E203 HydrophobicContact CG2-CB 3.82Å
204	T	72	Confident	74.9	Confident	12 Å²	12	45.7 Å²	45.7	7%	0.074	26%	0.256	C	S	.	.			trans	-148.6	134.8	-168	-47.4	0	0	0	0	110.6	Q83 T85 V208 V209	Q83-T204 PolarHBondContact O-N 2.76Å; T85-T204 HydrophobicContact CG2-CG2 3.98Å; T85-T204 PolarHBondContact N-OG1 2.84Å; T85-T204 VanDerWaalsContact N-OG1 3.13Å; T85-T204 PolarHBondContact OG1-OG1 2.73Å; T85-T204 VanDerWaalsContact OG1-OG1 3.09Å; T204-V208 HydrophobicContact CG2-CB 3.87Å; T204-V208 HydrophobicContact CG2-CG1 3.93Å; T204-V208 HydrophobicContact CG2-CG2 4.46Å; T204-V209 HydrophobicContact CG2-CG2 4.27Å
205	D	67.6	Low	73.9	Confident	74 Å²	74	45.7 Å²	45.7	40%	0.396	26%	0.256	S	S	.	.			trans	-66.4	146.2	177.3	-169.1	-80.2	0	0	0	111.8	K207 V208	D205-K207 VanDerWaalsContact C-N 3.26Å; D205-K207 PolarHBondContact O-N 3.02Å; D205-K207 WeakPolarHBondContact OD1-CB 3.24Å; D205-K207 WeakPolarHBondContact OD1-CG 3.46Å; D205-K207 PolarHBondContact OD1-N 3.03Å; D205-V208 HydrophobicContact CB-CG2 4.42Å; D205-V208 WeakPolarHBondContact O-CB 3.31Å; D205-V208 PolarHBondContact O-N 2.84Å; D205-V208 VanDerWaalsContact O-N 3.09Å
206	S	67.8	Low	72.9	Confident	63 Å²	63	45.5 Å²	45.5	44%	0.441	25%	0.254	S	S	.	.	H	α-helix	trans	-58.8	-34	179	50.7	0	0	0	0	113.7	Q83 V208 V209 E210	Q83-S206 VanDerWaalsContact NE2-CB 3.32Å; S206-V208 PolarHBondContact O-N 3.09Å; S206-V209 PolarHBondContact O-N 3.09Å; S206-E210 WeakPolarHBondContact O-CB 3.28Å; S206-E210 PolarHBondContact O-N 3.09Å
207	K	63.4	Low	72	Confident	95 Å²	95	49.7 Å²	49.7	41%	0.413	28%	0.277	S	S	.	.	H	α-helix	trans	-60.8	-35.2	176.7	-68.5	-173.2	176.4	-172.5	0	111.3	D205 V211 E659	D205-K207 VanDerWaalsContact C-N 3.26Å; D205-K207 PolarHBondContact O-N 3.02Å; D205-K207 WeakPolarHBondContact OD1-CB 3.24Å; D205-K207 WeakPolarHBondContact OD1-CG 3.46Å; D205-K207 PolarHBondContact OD1-N 3.03Å; K207-V211 WeakPolarHBondContact O-CB 3.47Å; K207-V211 VanDerWaalsContact O-CG2 3.24Å; K207-V211 WeakPolarHBondContact O-CG2 3.41Å; K207-V211 PolarHBondContact O-N 3.33Å; K207-E659 PolarHBondContact NZ-O 3.5Å
208	V	63.5	Low	71.5	Confident	6 Å²	6	46 Å²	46	4%	0.036	25%	0.253	C	S	.	.	H	α-helix	trans	-68.7	-44	179.9	178.6	0	0	0	0	110.9	T204 D205 S206 V211 L212 P277	T204-V208 HydrophobicContact CG2-CB 3.87Å; T204-V208 HydrophobicContact CG2-CG1 3.93Å; T204-V208 HydrophobicContact CG2-CG2 4.46Å; D205-V208 HydrophobicContact CB-CG2 4.42Å; D205-V208 WeakPolarHBondContact O-CB 3.31Å; D205-V208 PolarHBondContact O-N 2.84Å; D205-V208 VanDerWaalsContact O-N 3.09Å; S206-V208 PolarHBondContact O-N 3.09Å; V208-V211 PolarHBondContact O-N 3.4Å; V208-L212 WeakPolarHBondContact O-CG 3.49Å; V208-L212 PolarHBondContact O-N 2.82Å; V208-P277 HydrophobicContact CG1-CB 3.85Å; V208-P277 HydrophobicContact CG1-CG 3.85Å; V208-P277 WeakPolarHBondContact CG1-O 3.46Å
209	V	68.1	Low	71.1	Confident	4 Å²	4	44.7 Å²	44.7	2%	0.024	24%	0.243	C	C	.	.	H	α-helix	trans	-70.9	-32.8	179	177.3	0	0	0	0	112	Q83 W149 T204 S206 L212 T213	Q83-V209 HydrophobicContact CB-CG2 4.43Å; Q83-V209 VanDerWaalsContact OE1-CG2 3.28Å; W149-V209 HydrophobicContact CD2-CG1 3.84Å; W149-V209 VanDerWaalsContact CE2-CG1 3.47Å; W149-V209 HydrophobicContact CE3-CG1 4.37Å; W149-V209 HydrophobicContact CG-CG1 4.2Å; W149-V209 HydrophobicContact CH2-CG1 4.2Å; W149-V209 HydrophobicContact CZ2-CG1 3.68Å; T204-V209 HydrophobicContact CG2-CG2 4.27Å; S206-V209 PolarHBondContact O-N 3.09Å; V209-L212 PolarHBondContact O-N 3.26Å; V209-T213 VanDerWaalsContact O-CB 3.31Å; V209-T213 WeakPolarHBondContact O-CB 3.08Å; V209-T213 PolarHBondContact O-N 2.71Å; V209-T213 PolarHBondContact O-OG1 2.9Å
210	E	67.9	Low	70.8	Confident	140 Å²	140	46 Å²	46	65%	0.654	25%	0.246	S	C	*	.	H	α-helix	trans	-62.2	-47.4	170.1	-177.4	166.3	-148.1	0	0	111.5	S206 L212 T213 S214	S206-E210 WeakPolarHBondContact O-CB 3.28Å; S206-E210 PolarHBondContact O-N 3.09Å; E210-L212 PolarHBondContact O-N 2.96Å; E210-T213 PolarHBondContact O-N 2.85Å; E210-T213 VanDerWaalsContact O-N 3.14Å; E210-S214 PolarHBondContact O-N 2.84Å; E210-S214 PolarHBondContact O-OG 3.33Å
211	V	63.8	Low	70.5	Confident	30 Å²	30	44.8 Å²	44.8	18%	0.182	24%	0.235	C	C	.	.	H	α-helix	trans	-64	-37.1	175.5	166.4	0	0	0	0	112.8	K207 V208 S214 S215 V308	K207-V211 WeakPolarHBondContact O-CB 3.47Å; K207-V211 VanDerWaalsContact O-CG2 3.24Å; K207-V211 WeakPolarHBondContact O-CG2 3.41Å; K207-V211 PolarHBondContact O-N 3.33Å; V208-V211 PolarHBondContact O-N 3.4Å; V211-S214 PolarHBondContact O-OG 2.86Å; V211-S214 VanDerWaalsContact O-OG 3.13Å; V211-S215 WeakPolarHBondContact O-CB 3.3Å; V211-S215 PolarHBondContact O-N 3.02Å; V211-S215 PolarHBondContact O-OG 2.63Å; V211-V308 HydrophobicContact CG1-CG1 3.66Å
212	L	66.9	Low	70.2	Confident	8 Å²	8	47.7 Å²	47.7	4%	0.042	25%	0.248	C	C	.	.	H	α-helix	trans	-62	-45.4	170.3	-75.4	178.5	0	0	0	111.1	F137 W149 V208 V209 E210 S215 F216 L243 P277	F137-L212 HydrophobicContact CD2-CD1 4.41Å; F137-L212 HydrophobicContact CD2-CD2 4.32Å; F137-L212 HydrophobicContact CE2-CD1 4.39Å; F137-L212 HydrophobicContact CE2-CD2 4.45Å; F137-L212 HydrophobicContact CZ-CD1 4.46Å; W149-L212 HydrophobicContact CE3-CD1 3.79Å; W149-L212 HydrophobicContact CH2-CB 3.94Å; W149-L212 HydrophobicContact CZ3-CB 3.61Å; W149-L212 HydrophobicContact CZ3-CD1 3.64Å; W149-L212 HydrophobicContact CZ3-CG 4.24Å; V208-L212 WeakPolarHBondContact O-CG 3.49Å; V208-L212 PolarHBondContact O-N 2.82Å; V209-L212 PolarHBondContact O-N 3.26Å; E210-L212 PolarHBondContact O-N 2.96Å; L212-S215 PolarHBondContact O-N 3.48Å; L212-F216 PolarHBondContact O-N 2.8Å; L212-L243 HydrophobicContact CD2-CD1 3.39Å; L212-P277 HydrophobicContact CD1-CG 4.15Å; L212-P277 HydrophobicContact CD2-CG 3.71Å; L212-P277 HydrophobicContact CG-CG 4.1Å
213	T	69	Low	70.4	Confident	63 Å²	63	49.4 Å²	49.4	39%	0.387	25%	0.252	S	S	.	.	H	α-helix	trans	-67.1	-41.5	-175.8	-58.9	0	0	0	0	112.2	W149 V209 E210 S215 F216	W149-T213 WeakPolarHBondContact CH2-OG1 3.22Å; W149-T213 VanDerWaalsContact CZ2-OG1 3.31Å; W149-T213 WeakPolarHBondContact CZ2-OG1 3.38Å; V209-T213 VanDerWaalsContact O-CB 3.31Å; V209-T213 WeakPolarHBondContact O-CB 3.08Å; V209-T213 PolarHBondContact O-N 2.71Å; V209-T213 PolarHBondContact O-OG1 2.9Å; E210-T213 PolarHBondContact O-N 2.85Å; E210-T213 VanDerWaalsContact O-N 3.14Å; T213-S215 PolarHBondContact O-N 3.29Å; T213-F216 HydrophobicContact CG2-CD2 4.18Å; T213-F216 HydrophobicContact CG2-CE2 4.09Å; T213-F216 VanDerWaalsContact O-CD2 3.24Å; T213-F216 WeakPolarHBondContact O-CD2 3.31Å
214	S	65	Low	70.7	Confident	64 Å²	64	45.3 Å²	45.3	45%	0.448	23%	0.233	S	C	.	.	H	α-helix	trans	-67.8	-24.2	175.3	62.8	0	0	0	0	113.2	E210 V211 S241	E210-S214 PolarHBondContact O-N 2.84Å; E210-S214 PolarHBondContact O-OG 3.33Å; V211-S214 PolarHBondContact O-OG 2.86Å; V211-S214 VanDerWaalsContact O-OG 3.13Å; S214-S241 PolarHBondContact OG-OG 3.39Å; S214-S241 VanDerWaalsContact OG-OG 3.13Å
215	S	67.8	Low	71.1	Confident	2 Å²	2	48 Å²	48	1%	0.014	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-6.2	-177.5	-54.9	0	0	0	0	114.6	V211 L212 T213 D217 C218 Y219 S241	V211-S215 WeakPolarHBondContact O-CB 3.3Å; V211-S215 PolarHBondContact O-N 3.02Å; V211-S215 PolarHBondContact O-OG 2.63Å; L212-S215 PolarHBondContact O-N 3.48Å; T213-S215 PolarHBondContact O-N 3.29Å; S215-D217 VanDerWaalsContact C-N 3.32Å; S215-D217 PolarHBondContact O-N 2.79Å; S215-C218 CarbonylContact O-C 3.54Å; S215-C218 PolarHBondContact O-N 2.87Å; S215-Y219 PolarHBondContact O-N 2.97Å; S215-Y219 VanDerWaalsContact O-N 3.16Å; S215-S241 WeakPolarHBondContact CA-OG 3.29Å; S215-S241 PolarHBondContact N-OG 3.32Å; S215-S241 WeakPolarHBondContact OG-CB 3.4Å; S215-S241 PolarHBondContact OG-OG 3.1Å
216	F	67	Low	71.4	Confident	46 Å²	46	48.3 Å²	48.3	20%	0.202	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-52.7	-43.7	-172.9	-84.4	-43.3	0	0	0	114.5	H102 T135 F137 W149 L212 T213 C218 Y219	H102-F216 AromaticContact CD2-CD1 3.53Å; H102-F216 AromaticContact CD2-CE1 3.91Å; H102-F216 AromaticContact CE1-CD1 3.66Å; H102-F216 AromaticContact NE2-CD1 3.23Å; H102-F216 WeakPolarHBondContact NE2-CD1 3.36Å; H102-F216 AromaticContact NE2-CE1 3.34Å; H102-F216 VanDerWaalsContact NE2-CE1 3.34Å; H102-F216 WeakPolarHBondContact NE2-CE1 3.37Å; T135-F216 HydrophobicContact CG2-CE2 4.31Å; T135-F216 HydrophobicContact CG2-CZ 3.69Å; F137-F216 HydrophobicContact CB-CE1 3.7Å; F137-F216 HydrophobicContact CB-CZ 4.23Å; W149-F216 HydrophobicContact CH2-CE1 4.07Å; W149-F216 AromaticContact CH2-CE2 3.75Å; W149-F216 HydrophobicContact CH2-CE2 3.75Å; W149-F216 AromaticContact CH2-CZ 3.23Å; W149-F216 HydrophobicContact CH2-CZ 3.23Å; W149-F216 HydrophobicContact CZ2-CE2 4.24Å; W149-F216 AromaticContact CZ2-CZ 3.95Å; W149-F216 HydrophobicContact CZ2-CZ 3.95Å; W149-F216 HydrophobicContact CZ3-CE1 4.33Å; W149-F216 AromaticContact CZ3-CZ 3.87Å; W149-F216 HydrophobicContact CZ3-CZ 3.87Å; L212-F216 PolarHBondContact O-N 2.8Å; T213-F216 HydrophobicContact CG2-CD2 4.18Å; T213-F216 HydrophobicContact CG2-CE2 4.09Å; T213-F216 VanDerWaalsContact O-CD2 3.24Å; T213-F216 WeakPolarHBondContact O-CD2 3.31Å; F216-C218 PolarHBondContact O-N 2.81Å; F216-Y219 PolarHBondContact O-N 2.89Å
217	D	65.3	Low	71.4	Confident	95 Å²	95	50.1 Å²	50.1	51%	0.508	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-67.2	-15.6	-178.6	-78.4	-19.6	0	0	0	113.5	S215 R239	S215-D217 VanDerWaalsContact C-N 3.32Å; S215-D217 PolarHBondContact O-N 2.79Å; D217-R239 PolarHBondContact O-NH1 2.63Å
218	C	72.1	Confident	72	Confident	6 Å²	6	48.6 Å²	48.6	4%	0.041	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-129.5	40.2	176.4	-167.8	0	0	0	0	112.5	S215 F216 R220 C242 L243	S215-C218 CarbonylContact O-C 3.54Å; S215-C218 PolarHBondContact O-N 2.87Å; F216-C218 PolarHBondContact O-N 2.81Å; C218-R220 PolarHBondContact SG-NH2 3.19Å; C218-C242 HydrophobicContact CB-CB 3.78Å; C218-C242 WeakPolarHBondContact CB-SG 3.23Å; C218-C242 WeakPolarHBondContact O-CA 3.38Å; C218-C242 WeakPolarHBondContact SG-CB 3.48Å; C218-C242 CovalentContact SG-SG 2.03Å; C218-C242 PolarHBondContact SG-SG 3.32Å; C218-L243 PolarHBondContact O-N 2.78Å
219	Y	75.1	Confident	73	Confident	12 Å²	12	52 Å²	52	5%	0.047	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	133.8	163.6	177.2	-94	0	0	0	111.2	A100 H102 A138 S215 F216 L243 H245	A100-Y219 VanDerWaalsContact O-CD1 3.28Å; A100-Y219 WeakPolarHBondContact O-CD1 3.48Å; A100-Y219 WeakPolarHBondContact O-CE1 3.45Å; H102-Y219 AromaticContact CE1-CD1 3.95Å; H102-Y219 AromaticContact CE1-CD2 3.94Å; H102-Y219 AromaticContact CE1-CG 3.56Å; H102-Y219 WeakPolarHBondContact ND1-CB 3.15Å; H102-Y219 AromaticContact ND1-CD1 3.68Å; H102-Y219 AromaticContact ND1-CG 3.43Å; A138-Y219 HydrophobicContact CB-CE2 3.91Å; A138-Y219 VanDerWaalsContact CB-OH 3.31Å; A138-Y219 WeakPolarHBondContact CB-OH 3.47Å; S215-Y219 PolarHBondContact O-N 2.97Å; S215-Y219 VanDerWaalsContact O-N 3.16Å; F216-Y219 PolarHBondContact O-N 2.89Å; Y219-L243 CarbonylContact C-O 3.56Å; Y219-L243 WeakPolarHBondContact CA-O 3.06Å; Y219-L243 HydrophobicContact CD2-CD2 3.68Å; Y219-L243 HydrophobicContact CE2-CD2 3.81Å; Y219-H245 AromaticContact CE2-CE1 3.74Å; Y219-H245 AromaticContact CE2-CG 3.98Å; Y219-H245 AromaticContact CE2-ND1 3.47Å; Y219-H245 WeakPolarHBondContact CE2-ND1 3.3Å; Y219-H245 AromaticContact CZ-ND1 3.64Å; Y219-H245 PolarHBondContact OH-ND1 3.06Å
220	R	77.9	Confident	73.9	Confident	60 Å²	60	53.8 Å²	53.8	23%	0.226	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	112.7	177	-61.8	178.2	-176.2	139	-1.5	110.6	C218 R233 L243 W244 H245	C218-R220 PolarHBondContact SG-NH2 3.19Å; R220-R233 PolarHBondContact NH1-O 2.93Å; R220-L243 PolarHBondContact N-O 2.8Å; R220-W244 HydrophobicContact CB-CD2 3.94Å; R220-W244 HydrophobicContact CB-CE3 3.51Å; R220-W244 HydrophobicContact CB-CH2 4.41Å; R220-W244 HydrophobicContact CB-CZ3 3.78Å; R220-W244 VanDerWaalsContact CD-CZ2 3.44Å; R220-W244 HydrophobicContact CG-CE3 4.39Å; R220-W244 HydrophobicContact CG-CZ3 4.36Å; R220-W244 CarbonylContact O-C 3.51Å; R220-W244 VanDerWaalsContact O-CA 3.29Å; R220-W244 WeakPolarHBondContact O-CA 3.43Å; R220-H245 PolarHBondContact O-N 2.9Å
221	Y	77.2	Confident	74.9	Confident	21 Å²	21	50.6 Å²	50.6	8%	0.082	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	135.6	164.8	169.6	-95.4	0	0	0	110.2	F95 A100 Q141 H245 Q247 W304	F95-Y221 AromaticContact CE1-CD1 3.78Å; F95-Y221 HydrophobicContact CE1-CD1 3.78Å; F95-Y221 AromaticContact CE1-CE1 3.76Å; F95-Y221 HydrophobicContact CE1-CE1 3.76Å; F95-Y221 AromaticContact CZ-CD1 3.62Å; F95-Y221 HydrophobicContact CZ-CD1 3.62Å; F95-Y221 HydrophobicContact CZ-CE1 4.01Å; F95-Y221 HydrophobicContact CZ-CG 4.2Å; A100-Y221 HydrophobicContact CB-CD1 4.36Å; Q141-Y221 HydrophobicContact CB-CE1 4.37Å; Q141-Y221 WeakPolarHBondContact CB-OH 3.24Å; Q141-Y221 PolarHBondContact OE1-OH 3.25Å; Y221-H245 WeakPolarHBondContact CA-O 3.48Å; Y221-H245 HydrophobicContact CD2-CB 3.96Å; Y221-Q247 HydrophobicContact CE2-CB 4.21Å; Y221-Q247 PolarHBondContact OH-OE1 2.95Å; Y221-Q247 VanDerWaalsContact OH-OE1 3.07Å; Y221-W304 HydrophobicContact CD2-CZ3 4.41Å; Y221-W304 AromaticContact CE2-CH2 3.94Å; Y221-W304 HydrophobicContact CE2-CH2 3.94Å; Y221-W304 AromaticContact CE2-CZ3 3.76Å; Y221-W304 HydrophobicContact CE2-CZ3 3.76Å
222	Q	80.1	Confident	76	Confident	75 Å²	75	49.5 Å²	49.5	35%	0.35	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	124.2	-172.5	-177.9	58.2	62.1	0	0	112	M230 W244 H245 L246 Q247	Q222-M230 HydrophobicContact CG-CE 3.49Å; Q222-M230 VanDerWaalsContact CG-CE 3.49Å; Q222-M230 HydrophobicContact CG-SD 3.28Å; Q222-M230 WeakPolarHBondContact CG-SD 3.42Å; Q222-W244 HydrophobicContact CB-CE3 4.2Å; Q222-W244 HydrophobicContact CB-CZ3 4.2Å; Q222-W244 HydrophobicContact CG-CZ3 4.4Å; Q222-H245 PolarHBondContact N-O 2.88Å; Q222-L246 HydrophobicContact CB-CD2 4.3Å; Q222-L246 WeakPolarHBondContact O-CA 3.25Å; Q222-Q247 PolarHBondContact O-N 2.79Å
223	K	81.7	Confident	76.7	Confident	73 Å²	73	58.3 Å²	58.3	32%	0.317	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	138.3	169.9	-169	176.3	178.5	-175.3	0	110.5	Q247 D249	K223-Q247 CarbonylContact C-O 3.09Å; K223-Q247 WeakPolarHBondContact CA-O 3.5Å; K223-Q247 WeakPolarHBondContact CG-O 3.25Å; K223-D249 VanDerWaalsContact CE-OD2 3.23Å; K223-D249 WeakPolarHBondContact CE-OD2 3.02Å; K223-D249 IonicContact NZ-OD1 2.99Å; K223-D249 PolarHBondContact NZ-OD1 2.91Å; K223-D249 IonicContact NZ-OD2 2.72Å; K223-D249 PolarHBondContact NZ-OD2 2.79Å
224	V	85.3	Confident	77	Confident	2 Å²	2	55.5 Å²	55.5	1%	0.012	31%	0.309	C	S	.	.			trans	-111.5	142	177.6	-171.6	0	0	0	0	109.2	M230 L246 Q247 L254 A324 A326	V224-M230 HydrophobicContact CG2-CE 3.86Å; V224-L246 HydrophobicContact CG2-CB 4.34Å; V224-L246 HydrophobicContact CG2-CD2 4.2Å; V224-Q247 PolarHBondContact N-O 2.65Å; V224-L254 HydrophobicContact CB-CD2 3.62Å; V224-L254 HydrophobicContact CG1-CD2 4.06Å; V224-L254 HydrophobicContact CG2-CD2 3.74Å; V224-A324 HydrophobicContact CG1-CB 4.45Å; V224-A324 HydrophobicContact CG2-CB 4.14Å; V224-A326 HydrophobicContact CG1-CB 4.23Å
225	V	81.6	Confident	77.4	Confident	69 Å²	69	52.6 Å²	52.6	42%	0.418	29%	0.289	S	S	.	.			trans	-130.4	152.9	179	-66.5	0	0	0	0	110.1	S227	V225-S227 VanDerWaalsContact C-N 3.26Å; V225-S227 PolarHBondContact O-N 2.86Å
226	S	72.6	Confident	77.3	Confident	80 Å²	80	58 Å²	58	56%	0.559	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-13.9	-168.4	55	0	0	0	0	115.1	S228 Q325 A326	S226-S228 VanDerWaalsContact C-N 3.33Å; S226-S228 PolarHBondContact O-N 3.36Å; S226-Q325 PolarHBondContact O-NE2 3.24Å; S226-A326 VanDerWaalsContact CA-O 3.29Å; S226-A326 WeakPolarHBondContact CA-O 3.3Å; S226-A326 WeakPolarHBondContact CB-O 3.49Å
227	S	68.1	Low	76.8	Confident	102 Å²	102	60.9 Å²	60.9	71%	0.713	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-16.3	-171.8	57.1	0	0	0	0	115.5	V225	V225-S227 VanDerWaalsContact C-N 3.26Å; V225-S227 PolarHBondContact O-N 2.86Å
228	S	76.6	Confident	76.4	Confident	63 Å²	63	65 Å²	65	44%	0.441	35%	0.352	S	S	.	.	S	Bend	trans	-165.8	138.1	178	56.3	0	0	0	0	111.9	S226	S226-S228 VanDerWaalsContact C-N 3.33Å; S226-S228 PolarHBondContact O-N 3.36Å
229	P	83.9	Confident	75.8	Confident	76 Å²	76	68.3 Å²	68.3	49%	0.494	36%	0.363	S	S	.	.			trans	-64.1	141.9	170.3	28	-34.6	0	0	0	111.1	Q325	P229-Q325 HydrophobicContact CB-CB 4.26Å
230	M	88.1	Confident	75.4	Confident	43 Å²	43	72.8 Å²	72.8	21%	0.212	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	115.3	-171.1	178.4	-157.1	66.8	0	0	110.7	Q222 V224 L232 L246 S323 A324	Q222-M230 HydrophobicContact CG-CE 3.49Å; Q222-M230 VanDerWaalsContact CG-CE 3.49Å; Q222-M230 HydrophobicContact CG-SD 3.28Å; Q222-M230 WeakPolarHBondContact CG-SD 3.42Å; V224-M230 HydrophobicContact CG2-CE 3.86Å; M230-L232 HydrophobicContact CE-CD2 3.51Å; M230-L232 HydrophobicContact CE-CG 4.49Å; M230-L232 PolarHBondContact O-N 2.91Å; M230-L246 HydrophobicContact CE-CD2 4.22Å; M230-S323 CarbonylContact O-C 3.55Å; M230-S323 VanDerWaalsContact O-CA 3.23Å; M230-S323 WeakPolarHBondContact O-CA 3.5Å; M230-S323 WeakPolarHBondContact O-CB 3.26Å; M230-A324 HydrophobicContact CE-CB 4.25Å; M230-A324 PolarHBondContact N-O 2.82Å; M230-A324 PolarHBondContact O-N 2.88Å
231	A	88.1	Confident	75.2	Confident	73 Å²	73	70 Å²	70	60%	0.603	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.2	125	-176.8	0	0	0	0	0	113.3	L322	A231-L322 CarbonylContact C-O 3.53Å; A231-L322 WeakPolarHBondContact CA-O 3.29Å
232	L	87	Confident	75.4	Confident	6 Å²	6	69 Å²	69	3%	0.031	37%	0.373	C	S	.	.			trans	-93.7	115.7	173.9	-59.2	179.1	0	0	0	109	M230 W244 L246 L256 W309 L322 A324	M230-L232 HydrophobicContact CE-CD2 3.51Å; M230-L232 HydrophobicContact CE-CG 4.49Å; M230-L232 PolarHBondContact O-N 2.91Å; L232-W244 HydrophobicContact CB-CZ2 4.1Å; L232-W244 HydrophobicContact CD2-CD2 3.71Å; L232-W244 HydrophobicContact CD2-CE3 3.64Å; L232-W244 HydrophobicContact CD2-CG 4.29Å; L232-W244 HydrophobicContact CD2-CH2 3.97Å; L232-W244 HydrophobicContact CD2-CZ2 4.06Å; L232-W244 HydrophobicContact CD2-CZ3 3.78Å; L232-L246 HydrophobicContact CD1-CD1 4.1Å; L232-L246 HydrophobicContact CD1-CD2 4.49Å; L232-L246 HydrophobicContact CD2-CD2 3.89Å; L232-L256 HydrophobicContact CD1-CD1 3.48Å; L232-L256 VanDerWaalsContact CD1-CD1 3.48Å; L232-W309 WeakPolarHBondContact O-CZ3 2.99Å; L232-L322 HydrophobicContact CB-CB 4.3Å; L232-L322 HydrophobicContact CB-CD2 3.94Å; L232-L322 HydrophobicContact CB-CG 4.15Å; L232-L322 HydrophobicContact CD1-CD2 3.94Å; L232-L322 HydrophobicContact CD1-CG 4.15Å; L232-L322 PolarHBondContact N-O 3.13Å; L232-A324 HydrophobicContact CD1-CB 4.23Å
233	R	82.2	Confident	75.5	Confident	193 Å²	193	65.6 Å²	65.6	73%	0.728	36%	0.357	S	S	*	.			trans	-84	144	178.4	-55.9	-175.5	-171.5	-170.5	1.3	112	R220 W244	R220-R233 PolarHBondContact NH1-O 2.93Å; R233-W244 WeakPolarHBondContact O-CZ2 3.28Å; R233-W244 PolarHBondContact O-NE1 3.4Å
234	G	74.9	Confident	75.7	Confident	5 Å²	5	63 Å²	63	5%	0.052	35%	0.346	C	S	.	.			trans	-71.5	-172.3	174.4	0	0	0	0	0	114.4	W309	G234-W309 VanDerWaalsContact CA-CE3 3.44Å; G234-W309 VanDerWaalsContact N-CZ3 3.29Å
235	P	73.2	Confident	75.6	Confident	3 Å²	3	63 Å²	63	2%	0.019	35%	0.345	C	S	.	.			trans	-75.4	141	172.9	28.4	-31.9	0	0	0	113.2	R239 C242 K311	P235-R239 HydrophobicContact CB-CB 4.09Å; P235-C242 WeakPolarHBondContact CA-SG 3.16Å; P235-C242 VanDerWaalsContact CB-SG 3.5Å; P235-C242 VanDerWaalsContact N-SG 3.42Å; P235-K311 HydrophobicContact CG-CB 3.6Å; P235-K311 HydrophobicContact CG-CD 3.88Å; P235-K311 HydrophobicContact CG-CG 4.42Å
236	E	65.9	Low	75.9	Confident	115 Å²	115	59.7 Å²	59.7	54%	0.537	33%	0.325	S	S	.	.			trans	-59.1	152	168.5	-67.9	163	-163.6	0	0	110.6	H238 R239	E236-H238 PolarHBondContact O-N 2.77Å; E236-R239 PolarHBondContact O-N 3.01Å; E236-R239 IonicContact OE2-NH1 2.84Å
237	T	56.9	Low	76.6	Confident	107 Å²	107	57.1 Å²	57.1	66%	0.656	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-8	-168.9	47.8	0	0	0	0	116.6
238	H	55.5	Low	77.5	Confident	182 Å²	182	52.4 Å²	52.4	84%	0.843	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	4.1	174.3	-62.7	-66.2	0	0	0	113.7	E236	E236-H238 PolarHBondContact O-N 2.77Å
239	R	59.3	Low	77.8	Confident	74 Å²	74	52.9 Å²	52.9	28%	0.279	27%	0.269	S	S	.	.			trans	-129.7	140.3	-173.3	-65.4	178.1	176.1	156.9	-4.3	111.2	D217 P235 E236	D217-R239 PolarHBondContact O-NH1 2.63Å; P235-R239 HydrophobicContact CB-CB 4.09Å; E236-R239 PolarHBondContact O-N 3.01Å; E236-R239 IonicContact OE2-NH1 2.84Å
240	L	67.2	Low	77.7	Confident	106 Å²	106	53.7 Å²	53.7	56%	0.555	27%	0.274	S	S	*	.	S	Bend	trans	-91	-16.1	-177.8	-64.3	175.4	0	0	0	113.5	K310 K311	L240-K310 CarbonylContact O-C 3.32Å; L240-K310 VanDerWaalsContact O-CA 3.29Å; L240-K310 WeakPolarHBondContact O-CA 2.94Å; L240-K310 WeakPolarHBondContact O-CG 3.28Å; L240-K311 PolarHBondContact O-N 3.47Å
241	S	74.8	Confident	77.3	Confident	2 Å²	2	54 Å²	54	1%	0.014	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	157.6	175.7	55.7	0	0	0	0	115	S214 S215 W309	S214-S241 PolarHBondContact OG-OG 3.39Å; S214-S241 VanDerWaalsContact OG-OG 3.13Å; S215-S241 WeakPolarHBondContact CA-OG 3.29Å; S215-S241 PolarHBondContact N-OG 3.32Å; S215-S241 WeakPolarHBondContact OG-CB 3.4Å; S215-S241 PolarHBondContact OG-OG 3.1Å; S241-W309 CarbonylContact C-O 3.51Å; S241-W309 WeakPolarHBondContact CA-O 3.41Å
242	C	81.1	Confident	77.2	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	151.1	167.4	-71.4	0	0	0	0	110.1	C218 P235 W309	C218-C242 HydrophobicContact CB-CB 3.78Å; C218-C242 WeakPolarHBondContact CB-SG 3.23Å; C218-C242 WeakPolarHBondContact O-CA 3.38Å; C218-C242 WeakPolarHBondContact SG-CB 3.48Å; C218-C242 CovalentContact SG-SG 2.03Å; C218-C242 PolarHBondContact SG-SG 3.32Å; P235-C242 WeakPolarHBondContact CA-SG 3.16Å; P235-C242 VanDerWaalsContact CB-SG 3.5Å; P235-C242 VanDerWaalsContact N-SG 3.42Å; C242-W309 PolarHBondContact N-O 3.24Å; C242-W309 PolarHBondContact O-N 2.91Å
243	L	82.2	Confident	77.2	Confident	4 Å²	4	52.1 Å²	52.1	2%	0.021	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	128.7	176	-173.3	148.4	0	0	0	110.6	L212 C218 Y219 R220 T306 V308	L212-L243 HydrophobicContact CD2-CD1 3.39Å; C218-L243 PolarHBondContact O-N 2.78Å; Y219-L243 CarbonylContact C-O 3.56Å; Y219-L243 WeakPolarHBondContact CA-O 3.06Å; Y219-L243 HydrophobicContact CD2-CD2 3.68Å; Y219-L243 HydrophobicContact CE2-CD2 3.81Å; R220-L243 PolarHBondContact N-O 2.8Å; L243-T306 HydrophobicContact CD1-CG2 4.22Å; L243-T306 HydrophobicContact CD2-CG2 4.21Å; L243-T306 HydrophobicContact CG-CG2 4.16Å; L243-V308 HydrophobicContact CD1-CG2 3.81Å; L243-V308 HydrophobicContact CG-CG2 4.13Å
244	W	85.7	Confident	77.5	Confident	19 Å²	19	42.9 Å²	42.9	7%	0.072	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	129.2	177.3	-65.9	90.9	0	0	0	110.4	R220 Q222 L232 R233 L246 T306 V307	R220-W244 HydrophobicContact CB-CD2 3.94Å; R220-W244 HydrophobicContact CB-CE3 3.51Å; R220-W244 HydrophobicContact CB-CH2 4.41Å; R220-W244 HydrophobicContact CB-CZ3 3.78Å; R220-W244 VanDerWaalsContact CD-CZ2 3.44Å; R220-W244 HydrophobicContact CG-CE3 4.39Å; R220-W244 HydrophobicContact CG-CZ3 4.36Å; R220-W244 CarbonylContact O-C 3.51Å; R220-W244 VanDerWaalsContact O-CA 3.29Å; R220-W244 WeakPolarHBondContact O-CA 3.43Å; Q222-W244 HydrophobicContact CB-CE3 4.2Å; Q222-W244 HydrophobicContact CB-CZ3 4.2Å; Q222-W244 HydrophobicContact CG-CZ3 4.4Å; L232-W244 HydrophobicContact CB-CZ2 4.1Å; L232-W244 HydrophobicContact CD2-CD2 3.71Å; L232-W244 HydrophobicContact CD2-CE3 3.64Å; L232-W244 HydrophobicContact CD2-CG 4.29Å; L232-W244 HydrophobicContact CD2-CH2 3.97Å; L232-W244 HydrophobicContact CD2-CZ2 4.06Å; L232-W244 HydrophobicContact CD2-CZ3 3.78Å; R233-W244 WeakPolarHBondContact O-CZ2 3.28Å; R233-W244 PolarHBondContact O-NE1 3.4Å; W244-L246 HydrophobicContact CB-CD2 4.31Å; W244-L246 HydrophobicContact CB-CG 4.49Å; W244-T306 CarbonylContact O-C 3.52Å; W244-T306 WeakPolarHBondContact O-CA 3.43Å; W244-V307 HydrophobicContact CB-CB 4.27Å; W244-V307 PolarHBondContact N-O 2.99Å; W244-V307 PolarHBondContact O-N 2.83Å
245	H	83.6	Confident	78.1	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	116.4	162.3	-75.5	170.9	0	0	0	108.4	Y219 R220 Y221 Q222 I275 T306	Y219-H245 AromaticContact CE2-CE1 3.74Å; Y219-H245 AromaticContact CE2-CG 3.98Å; Y219-H245 AromaticContact CE2-ND1 3.47Å; Y219-H245 WeakPolarHBondContact CE2-ND1 3.3Å; Y219-H245 AromaticContact CZ-ND1 3.64Å; Y219-H245 PolarHBondContact OH-ND1 3.06Å; R220-H245 PolarHBondContact O-N 2.9Å; Y221-H245 WeakPolarHBondContact CA-O 3.48Å; Y221-H245 HydrophobicContact CD2-CB 3.96Å; Q222-H245 PolarHBondContact N-O 2.88Å; H245-I275 PolarHBondContact CE1-O 2.95Å; H245-I275 PolarHBondContact NE2-O 2.76Å; H245-T306 PolarHBondContact CD2-OG1 3.37Å; H245-T306 PolarHBondContact NE2-OG1 2.84Å
246	L	87.8	Confident	78.9	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	133.6	-179.1	-53.8	174.7	0	0	0	109.1	Q222 V224 M230 L232 W244 L254 W304 M305 V307 A324	Q222-L246 HydrophobicContact CB-CD2 4.3Å; Q222-L246 WeakPolarHBondContact O-CA 3.25Å; V224-L246 HydrophobicContact CG2-CB 4.34Å; V224-L246 HydrophobicContact CG2-CD2 4.2Å; M230-L246 HydrophobicContact CE-CD2 4.22Å; L232-L246 HydrophobicContact CD1-CD1 4.1Å; L232-L246 HydrophobicContact CD1-CD2 4.49Å; L232-L246 HydrophobicContact CD2-CD2 3.89Å; W244-L246 HydrophobicContact CB-CD2 4.31Å; W244-L246 HydrophobicContact CB-CG 4.49Å; L246-L254 HydrophobicContact CB-CD1 3.8Å; L246-L254 HydrophobicContact CB-CD2 4.46Å; L246-W304 WeakPolarHBondContact O-CA 3.38Å; L246-M305 HydrophobicContact CB-CB 4.33Å; L246-M305 WeakPolarHBondContact CB-O 3.43Å; L246-M305 HydrophobicContact CD1-CB 4.45Å; L246-M305 HydrophobicContact CD1-SD 4.28Å; L246-M305 PolarHBondContact N-O 3.41Å; L246-M305 PolarHBondContact O-N 3.39Å; L246-V307 HydrophobicContact CD1-CG2 3.71Å; L246-A324 HydrophobicContact CD1-CB 3.87Å
247	Q	86.1	Confident	80	Confident	27 Å²	27	39.6 Å²	39.6	13%	0.126	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	141.8	170.5	-160.8	-171.2	-1.2	0	0	110.8	Y221 Q222 K223 V224 E303 W304	Y221-Q247 HydrophobicContact CE2-CB 4.21Å; Y221-Q247 PolarHBondContact OH-OE1 2.95Å; Y221-Q247 VanDerWaalsContact OH-OE1 3.07Å; Q222-Q247 PolarHBondContact O-N 2.79Å; K223-Q247 CarbonylContact C-O 3.09Å; K223-Q247 WeakPolarHBondContact CA-O 3.5Å; K223-Q247 WeakPolarHBondContact CG-O 3.25Å; V224-Q247 PolarHBondContact N-O 2.65Å; Q247-E303 CarbonylContact C-O 3.58Å; Q247-E303 VanDerWaalsContact CA-O 3.29Å; Q247-E303 WeakPolarHBondContact CA-O 3.41Å; Q247-E303 PolarHBondContact NE2-OE2 3.31Å; Q247-W304 HydrophobicContact CB-CD2 4.3Å; Q247-W304 HydrophobicContact CB-CE3 3.97Å; Q247-W304 HydrophobicContact CB-CH2 3.95Å; Q247-W304 HydrophobicContact CB-CZ2 4.27Å; Q247-W304 HydrophobicContact CB-CZ3 3.78Å; Q247-W304 HydrophobicContact CG-CD2 3.87Å; Q247-W304 HydrophobicContact CG-CE3 4.05Å; Q247-W304 HydrophobicContact CG-CH2 3.84Å; Q247-W304 HydrophobicContact CG-CZ2 3.64Å; Q247-W304 HydrophobicContact CG-CZ3 4.04Å
248	T	86.9	Confident	81.4	Confident	3 Å²	3	34.6 Å²	34.6	2%	0.018	19%	0.187	C	C	.	.			trans	-112.6	-177.8	166.8	-170.6	0	0	0	0	112.2	S252 L254 E303 A326	T248-S252 VanDerWaalsContact CG2-O 3.26Å; T248-S252 WeakPolarHBondContact CG2-O 3.06Å; T248-L254 HydrophobicContact CG2-CD2 4.23Å; T248-L254 HydrophobicContact CG2-CG 3.94Å; T248-E303 PolarHBondContact N-O 3.34Å; T248-A326 WeakPolarHBondContact OG1-CB 3.47Å
249	D	84.2	Confident	82.8	Confident	72 Å²	72	29.7 Å²	29.7	39%	0.385	17%	0.165	S	C	.	.			trans	-78.2	149.1	174.9	-77.9	-69.2	0	0	0	111.7	K223 S252	K223-D249 VanDerWaalsContact CE-OD2 3.23Å; K223-D249 WeakPolarHBondContact CE-OD2 3.02Å; K223-D249 IonicContact NZ-OD1 2.99Å; K223-D249 PolarHBondContact NZ-OD1 2.91Å; K223-D249 IonicContact NZ-OD2 2.72Å; K223-D249 PolarHBondContact NZ-OD2 2.79Å; D249-S252 WeakPolarHBondContact O-CB 3.22Å; D249-S252 PolarHBondContact O-N 2.68Å; D249-S252 PolarHBondContact O-OG 3.38Å
250	P	82	Confident	83.8	Confident	93 Å²	93	27.6 Å²	27.6	60%	0.604	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	138.9	-178.7	-28.7	35.3	0	0	0	114.2	S252 E303	P250-S252 VanDerWaalsContact C-N 3.27Å; P250-E303 WeakPolarHBondContact CA-OE1 3.31Å; P250-E303 WeakPolarHBondContact CB-OE1 3.47Å; P250-E303 WeakPolarHBondContact CG-OE1 3.43Å
251	G	79.7	Confident	84.4	Confident	49 Å²	49	27.3 Å²	27.3	51%	0.505	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	7.6	-173.2	0	0	0	0	0	114.6	Q329	G251-Q329 WeakPolarHBondContact O-CB 3.28Å; G251-Q329 PolarHBondContact O-N 3.43Å; G251-Q329 VanDerWaalsContact O-N 3.11Å
252	S	85.8	Confident	84.2	Confident	30 Å²	30	29.6 Å²	29.6	21%	0.21	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	154.7	170.6	-52.2	0	0	0	0	111.1	T248 D249 P250 W327	T248-S252 VanDerWaalsContact CG2-O 3.26Å; T248-S252 WeakPolarHBondContact CG2-O 3.06Å; D249-S252 WeakPolarHBondContact O-CB 3.22Å; D249-S252 PolarHBondContact O-N 2.68Å; D249-S252 PolarHBondContact O-OG 3.38Å; P250-S252 VanDerWaalsContact C-N 3.27Å; S252-W327 CarbonylContact C-O 3.35Å; S252-W327 VanDerWaalsContact CA-O 3.22Å; S252-W327 WeakPolarHBondContact CA-O 3.26Å; S252-W327 VanDerWaalsContact CB-O 3.25Å; S252-W327 WeakPolarHBondContact CB-O 3.21Å
253	Q	85.7	Confident	83.3	Confident	10 Å²	10	34.2 Å²	34.2	5%	0.047	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	158.1	174	58.9	-170.9	-38.2	0	0	109.9	L299 A326 W327 P328	Q253-L299 HydrophobicContact CG-CD2 4.32Å; Q253-A326 WeakPolarHBondContact O-CA 3.29Å; Q253-W327 HydrophobicContact CG-CB 4.18Å; Q253-W327 PolarHBondContact N-O 2.86Å; Q253-W327 PolarHBondContact O-N 3.36Å; Q253-P328 PolarHBondContact NE2-O 3.06Å
254	L	88.8	Confident	82.2	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	122.6	177.7	-68.4	158.9	0	0	0	109.5	V224 L246 T248 L299 S300 E303 M305	V224-L254 HydrophobicContact CB-CD2 3.62Å; V224-L254 HydrophobicContact CG1-CD2 4.06Å; V224-L254 HydrophobicContact CG2-CD2 3.74Å; L246-L254 HydrophobicContact CB-CD1 3.8Å; L246-L254 HydrophobicContact CB-CD2 4.46Å; T248-L254 HydrophobicContact CG2-CD2 4.23Å; T248-L254 HydrophobicContact CG2-CG 3.94Å; L254-L299 VanDerWaalsContact O-CA 3.29Å; L254-L299 WeakPolarHBondContact O-CA 3.35Å; L254-S300 WeakPolarHBondContact CB-OG 3.49Å; L254-S300 PolarHBondContact N-OG 3.11Å; L254-S300 PolarHBondContact O-N 3.05Å; L254-E303 WeakPolarHBondContact CD1-O 3.39Å; L254-M305 HydrophobicContact CB-CB 4.38Å; L254-M305 HydrophobicContact CB-CE 4.07Å; L254-M305 HydrophobicContact CD1-CB 3.68Å; L254-M305 VanDerWaalsContact O-CE 3.26Å; L254-M305 WeakPolarHBondContact O-CE 3.34Å
255	E	88.3	Confident	81.3	Confident	11 Å²	11	38.3 Å²	38.3	5%	0.051	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	132.3	159.8	-176.4	-169.7	154.9	0	0	109	H257 R297 L299 A324 Q325 W327	E255-H257 IonicContact OE1-CD2 3.49Å; E255-H257 PolarHBondContact OE1-CD2 2.86Å; E255-H257 IonicContact OE1-CG 3.42Å; E255-R297 HydrophobicContact CG-CB 4.23Å; E255-R297 WeakPolarHBondContact OE1-CD 3.35Å; E255-R297 VanDerWaalsContact OE1-CG 3.29Å; E255-R297 WeakPolarHBondContact OE1-CG 3.48Å; E255-R297 IonicContact OE1-CZ 3.39Å; E255-R297 IonicContact OE1-NE 3.89Å; E255-R297 PolarHBondContact OE1-NE 3.01Å; E255-L299 HydrophobicContact CB-CD2 3.9Å; E255-L299 HydrophobicContact CB-CG 4.3Å; E255-L299 HydrophobicContact CG-CD2 4.42Å; E255-L299 HydrophobicContact CG-CG 4.42Å; E255-A324 CarbonylContact O-C 3.58Å; E255-A324 VanDerWaalsContact O-CA 3.25Å; E255-A324 WeakPolarHBondContact O-CA 3.46Å; E255-Q325 PolarHBondContact N-O 2.83Å; E255-Q325 PolarHBondContact O-N 2.81Å; E255-W327 PolarHBondContact OE2-NE1 2.54Å
256	L	89.6	Confident	80.4	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	109.3	163.5	-175.4	71.3	0	0	0	108.3	L232 L269 V271 R297 V298 M305 V307 L322 S323	L232-L256 HydrophobicContact CD1-CD1 3.48Å; L232-L256 VanDerWaalsContact CD1-CD1 3.48Å; L256-L269 HydrophobicContact CD2-CD2 4.2Å; L256-V271 HydrophobicContact CD2-CB 4.49Å; L256-V271 HydrophobicContact CD2-CG1 4.03Å; L256-V271 HydrophobicContact CD2-CG2 3.58Å; L256-R297 WeakPolarHBondContact O-CA 3.23Å; L256-V298 HydrophobicContact CB-CB 4.34Å; L256-V298 PolarHBondContact N-O 2.82Å; L256-V298 PolarHBondContact O-N 3.46Å; L256-M305 HydrophobicContact CB-CE 4.16Å; L256-M305 HydrophobicContact CB-SD 3.78Å; L256-M305 HydrophobicContact CD2-SD 4.2Å; L256-M305 HydrophobicContact CG-SD 4.47Å; L256-V307 HydrophobicContact CD1-CG2 4.09Å; L256-V307 HydrophobicContact CD2-CG1 3.91Å; L256-V307 HydrophobicContact CD2-CG2 3.82Å; L256-L322 HydrophobicContact CD1-CD1 3.83Å; L256-L322 HydrophobicContact CD1-CD2 4.23Å; L256-L322 HydrophobicContact CD1-CG 3.9Å; L256-L322 HydrophobicContact CD2-CD1 4.23Å; L256-L322 HydrophobicContact CG-CD1 3.88Å; L256-S323 CarbonylContact C-O 3.59Å; L256-S323 WeakPolarHBondContact CA-O 3.48Å
257	H	88.8	Confident	79.7	Confident	41 Å²	41	44 Å²	44	19%	0.19	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	121.6	178.3	-171.8	-69.5	0	0	0	109.9	E255 V295 R297 L322 S323	E255-H257 IonicContact OE1-CD2 3.49Å; E255-H257 PolarHBondContact OE1-CD2 2.86Å; E255-H257 IonicContact OE1-CG 3.42Å; H257-V295 VanDerWaalsContact CE1-CG1 3.47Å; H257-V295 WeakPolarHBondContact CE1-CG1 3.45Å; H257-R297 PolarHBondContact CD2-NE 3.21Å; H257-R297 PolarHBondContact CD2-NH2 2.84Å; H257-R297 PolarHBondContact NE2-NE 2.91Å; H257-R297 PolarHBondContact NE2-NH2 2.83Å; H257-L322 WeakPolarHBondContact O-CA 3.5Å; H257-S323 PolarHBondContact N-O 2.85Å; H257-S323 PolarHBondContact O-N 2.79Å
258	M	86.3	Confident	79.2	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	137.6	-179.4	-170.3	-179.7	-166.9	0	0	110.1	W260 L269 M286 V295 V296 F320 S321 L322	M258-W260 HydrophobicContact CE-CE3 4.18Å; M258-W260 HydrophobicContact CE-CH2 3.19Å; M258-W260 HydrophobicContact CE-CZ2 3.64Å; M258-W260 HydrophobicContact CE-CZ3 3.5Å; M258-W260 VanDerWaalsContact CE-CZ3 3.5Å; M258-W260 HydrophobicContact SD-CH2 4.05Å; M258-W260 HydrophobicContact SD-CZ2 3.88Å; M258-L269 HydrophobicContact CE-CB 4.14Å; M258-L269 HydrophobicContact CE-CD2 3.75Å; M258-L269 HydrophobicContact CG-CD2 4.45Å; M258-L269 HydrophobicContact SD-CD2 3.5Å; M258-L269 WeakPolarHBondContact SD-CD2 3.44Å; M258-M286 HydrophobicContact SD-SD 3.54Å; M258-V295 CarbonylContact O-C 3.6Å; M258-V295 VanDerWaalsContact O-CA 3.32Å; M258-V295 WeakPolarHBondContact O-CA 3.45Å; M258-V296 WeakPolarHBondContact CB-O 3.16Å; M258-V296 PolarHBondContact N-O 2.65Å; M258-V296 PolarHBondContact O-N 3Å; M258-F320 HydrophobicContact CE-CB 3.99Å; M258-F320 HydrophobicContact CE-CD1 3.27Å; M258-F320 HydrophobicContact CE-CD2 3.61Å; M258-F320 HydrophobicContact CE-CE1 3.46Å; M258-F320 VanDerWaalsContact CE-CE1 3.46Å; M258-F320 HydrophobicContact CE-CE2 3.79Å; M258-F320 HydrophobicContact CE-CG 3.34Å; M258-F320 HydrophobicContact CE-CZ 3.72Å; M258-F320 HydrophobicContact CG-CB 4.26Å; M258-F320 HydrophobicContact CG-CD2 4.26Å; M258-F320 HydrophobicContact CG-CG 4.32Å; M258-S321 WeakPolarHBondContact CA-O 3.44Å; M258-L322 HydrophobicContact CB-CD1 3.88Å; M258-L322 HydrophobicContact CG-CD1 3.98Å
259	E	85.7	Confident	78.9	Confident	80 Å²	80	44.5 Å²	44.5	37%	0.374	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	120.8	-175.3	169.9	-170.7	-148.4	0	0	108.7	L261 D294 V295 F320 S321	E259-L261 HydrophobicContact CG-CD2 4.26Å; E259-L261 PolarHBondContact O-N 3.1Å; E259-D294 WeakPolarHBondContact CA-O 3.46Å; E259-V295 HydrophobicContact CB-CG2 4.32Å; E259-V295 HydrophobicContact CG-CG2 4.31Å; E259-F320 CarbonylContact O-C 3.26Å; E259-F320 WeakPolarHBondContact O-CA 3.47Å; E259-F320 VanDerWaalsContact O-CB 3.28Å; E259-F320 WeakPolarHBondContact O-CB 3.13Å; E259-S321 PolarHBondContact N-O 3.34Å; E259-S321 PolarHBondContact O-N 3.48Å; E259-S321 WeakPolarHBondContact OE2-CB 3.24Å; E259-S321 PolarHBondContact OE2-OG 3.47Å
260	W	80.2	Confident	78.7	Confident	29 Å²	29	41.6 Å²	41.6	11%	0.11	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	120.4	-176.8	-56.1	102.4	0	0	0	110.6	M258 G288 C289 E293 D294 F320	M258-W260 HydrophobicContact CE-CE3 4.18Å; M258-W260 HydrophobicContact CE-CH2 3.19Å; M258-W260 HydrophobicContact CE-CZ2 3.64Å; M258-W260 HydrophobicContact CE-CZ3 3.5Å; M258-W260 VanDerWaalsContact CE-CZ3 3.5Å; M258-W260 HydrophobicContact SD-CH2 4.05Å; M258-W260 HydrophobicContact SD-CZ2 3.88Å; W260-G288 WeakPolarHBondContact CH2-O 3.44Å; W260-G288 WeakPolarHBondContact CZ3-O 3.31Å; W260-C289 HydrophobicContact CD2-CB 4.45Å; W260-C289 HydrophobicContact CE3-CB 3.96Å; W260-C289 HydrophobicContact CZ3-CB 4.29Å; W260-E293 PolarHBondContact NE1-O 2.86Å; W260-D294 PolarHBondContact N-O 2.83Å; W260-F320 HydrophobicContact CE3-CB 3.89Å; W260-F320 AromaticContact CE3-CD1 3.94Å; W260-F320 HydrophobicContact CE3-CD1 3.94Å; W260-F320 HydrophobicContact CE3-CG 4.35Å; W260-F320 HydrophobicContact CH2-CD1 4.36Å; W260-F320 HydrophobicContact CZ3-CB 4.3Å; W260-F320 AromaticContact CZ3-CD1 3.52Å; W260-F320 HydrophobicContact CZ3-CD1 3.52Å; W260-F320 HydrophobicContact CZ3-CE1 4.22Å; W260-F320 HydrophobicContact CZ3-CG 4.26Å
261	L	79.3	Confident	78.8	Confident	100 Å²	100	37.2 Å²	37.2	52%	0.524	20%	0.196	S	C	.	.			trans	-97.7	-13.1	-177.9	-59.2	178.5	0	0	0	112.7	E259 P319	E259-L261 HydrophobicContact CG-CD2 4.26Å; E259-L261 PolarHBondContact O-N 3.1Å; L261-P319 PolarHBondContact N-O 3.2Å
262	L	70.7	Confident	78.8	Confident	50 Å²	50	35.4 Å²	35.4	26%	0.262	17%	0.174	S	C	.	.	S	Bend	trans	-133.9	141.7	179.3	-61.3	178.5	0	0	0	110	E264 C289 K317 P319	L262-E264 PolarHBondContact O-N 3.14Å; L262-C289 PolarHBondContact O-SG 2.79Å; L262-K317 HydrophobicContact CD1-CB 4.05Å; L262-P319 HydrophobicContact CB-CB 4.41Å; L262-P319 HydrophobicContact CD1-CB 4.12Å; L262-P319 PolarHBondContact N-O 3.16Å
263	P	61.2	Low	78.6	Confident	98 Å²	98	34.3 Å²	34.3	64%	0.636	17%	0.166	S	C	*	.	S	Bend	trans	-74.7	-9	177.6	31.8	-36.7	0	0	0	113.5	Y655	P263-Y655 PolarHBondContact O-OH 3.35Å
264	E	60.7	Low	78.1	Confident	102 Å²	102	34.6 Å²	34.6	48%	0.477	17%	0.169	S	C	.	.			trans	-137.9	129.7	179.3	-54.8	-159.9	142.8	0	0	110.7	L262 R291 Q654	L262-E264 PolarHBondContact O-N 3.14Å; E264-R291 IonicContact OE1-NH2 2.87Å; E264-R291 PolarHBondContact OE1-NH2 2.96Å; E264-Q654 PolarHBondContact OE1-NE2 2.85Å
265	C	65.5	Low	77.3	Confident	6 Å²	6	35.5 Å²	35.5	4%	0.041	17%	0.174	C	C	.	.			trans	-158.5	169.9	171.5	64	0	0	0	0	112.1	G288 C289 P319	C265-G288 WeakPolarHBondContact O-CA 3.45Å; C265-G288 PolarHBondContact SG-O 3.14Å; C265-G288 VanDerWaalsContact SG-O 3.4Å; C265-C289 HydrophobicContact CB-CB 4.31Å; C265-C289 WeakPolarHBondContact CB-SG 3.49Å; C265-C289 WeakPolarHBondContact SG-CA 3.49Å; C265-C289 WeakPolarHBondContact SG-CB 3.48Å; C265-C289 PolarHBondContact SG-N 3.31Å; C265-C289 CovalentContact SG-SG 2.04Å; C265-C289 PolarHBondContact SG-SG 2.72Å; C265-P319 HydrophobicContact CB-CB 3.22Å; C265-P319 HydrophobicContact CB-CG 3.57Å
266	R	65.9	Low	76.3	Confident	118 Å²	118	35.4 Å²	35.4	45%	0.445	17%	0.174	S	C	.	.			trans	-132.8	19.5	-179.9	-65.3	178.5	175	162.2	-3.9	111.9	G312 Q654	R266-G312 WeakPolarHBondContact O-CA 3.35Å; R266-G312 PolarHBondContact O-N 3.19Å; R266-Q654 PolarHBondContact NE-O 3.01Å; R266-Q654 PolarHBondContact NH2-O 2.9Å
267	D	72.5	Confident	75.2	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.005	17%	0.174	C	C	.	.			trans	-81.5	153.2	176.1	-75.7	38.4	0	0	0	109.1	G288 W309 K310 G312 N315 P319 F320	D267-G288 PolarHBondContact O-N 3.26Å; D267-W309 PolarHBondContact OD2-NE1 2.67Å; D267-K310 CarbonylContact C-O 3.52Å; D267-K310 WeakPolarHBondContact CA-O 3.01Å; D267-G312 PolarHBondContact OD1-N 3.25Å; D267-N315 PolarHBondContact OD1-ND2 2.83Å; D267-P319 HydrophobicContact CB-CG 3.81Å; D267-F320 HydrophobicContact CB-CE1 3.82Å
268	R	76	Confident	74	Confident	41 Å²	41	33.7 Å²	33.7	16%	0.155	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	128.5	179.5	-174.4	-177	176.6	-178.3	-2.1	109.4	V270 S285 M286 Y287 K310	R268-V270 HydrophobicContact CG-CG2 4.02Å; R268-S285 PolarHBondContact NE-OG 3.12Å; R268-S285 PolarHBondContact NH2-OG 3.42Å; R268-M286 WeakPolarHBondContact CA-O 3.48Å; R268-M286 WeakPolarHBondContact CG-O 3.28Å; R268-Y287 HydrophobicContact CB-CD2 3.83Å; R268-Y287 HydrophobicContact CB-CE2 4.34Å; R268-Y287 HydrophobicContact CG-CD2 3.96Å; R268-K310 HydrophobicContact CB-CB 4.36Å; R268-K310 PolarHBondContact N-O 2.8Å; R268-K310 PolarHBondContact O-N 3.33Å
269	L	80.2	Confident	72.8	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	123	176.1	-169.2	72.9	0	0	0	109.2	L256 M258 V271 S285 M286 V307 V308 W309 F320 L322	L256-L269 HydrophobicContact CD2-CD2 4.2Å; M258-L269 HydrophobicContact CE-CB 4.14Å; M258-L269 HydrophobicContact CE-CD2 3.75Å; M258-L269 HydrophobicContact CG-CD2 4.45Å; M258-L269 HydrophobicContact SD-CD2 3.5Å; M258-L269 WeakPolarHBondContact SD-CD2 3.44Å; L269-V271 HydrophobicContact CD2-CG2 4.34Å; L269-V271 HydrophobicContact CG-CG2 4.26Å; L269-S285 CarbonylContact O-C 3.45Å; L269-S285 WeakPolarHBondContact O-CA 3.29Å; L269-M286 HydrophobicContact CB-CB 4.48Å; L269-M286 PolarHBondContact N-O 2.85Å; L269-M286 PolarHBondContact O-N 2.95Å; L269-V307 HydrophobicContact CD1-CG1 3.59Å; L269-V307 HydrophobicContact CG-CG1 4.28Å; L269-V308 WeakPolarHBondContact CA-O 3.02Å; L269-W309 HydrophobicContact CD1-CB 4.04Å; L269-W309 HydrophobicContact CD1-CG 4.49Å; L269-F320 HydrophobicContact CB-CZ 4.31Å; L269-F320 HydrophobicContact CD1-CE2 4.31Å; L269-F320 HydrophobicContact CD1-CZ 4.24Å; L269-L322 HydrophobicContact CD1-CD2 3.85Å; L269-L322 HydrophobicContact CD2-CD1 3.74Å; L269-L322 HydrophobicContact CD2-CD2 4.41Å
270	V	79.8	Confident	71.7	Confident	11 Å²	11	39.7 Å²	39.7	7%	0.067	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	125.1	-179.6	-165.5	0	0	0	0	109	R268 Y272 L282 V308	R268-V270 HydrophobicContact CG-CG2 4.02Å; V270-Y272 HydrophobicContact CB-CE2 4.13Å; V270-Y272 HydrophobicContact CG1-CD2 4.33Å; V270-Y272 HydrophobicContact CG1-CE1 4.44Å; V270-Y272 HydrophobicContact CG1-CE2 3.51Å; V270-L282 HydrophobicContact CG1-CD1 3.4Å; V270-V308 HydrophobicContact CB-CB 4.37Å; V270-V308 PolarHBondContact N-O 2.82Å; V270-V308 PolarHBondContact O-N 3.47Å
271	V	83.8	Confident	71.3	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	127.1	-170.1	-168.9	0	0	0	0	109.8	L256 L269 I283 T284 V298 M305 T306 V307	L256-V271 HydrophobicContact CD2-CB 4.49Å; L256-V271 HydrophobicContact CD2-CG1 4.03Å; L256-V271 HydrophobicContact CD2-CG2 3.58Å; L269-V271 HydrophobicContact CD2-CG2 4.34Å; L269-V271 HydrophobicContact CG-CG2 4.26Å; V271-I283 HydrophobicContact CG1-CD1 4.03Å; V271-I283 PolarHBondContact O-N 3.32Å; V271-T284 HydrophobicContact CB-CG2 4.13Å; V271-T284 HydrophobicContact CG2-CG2 4.15Å; V271-T284 PolarHBondContact N-O 2.78Å; V271-T284 PolarHBondContact O-N 3.09Å; V271-V298 HydrophobicContact CB-CG1 4.24Å; V271-V298 HydrophobicContact CG1-CG1 3.89Å; V271-M305 HydrophobicContact CG1-CE 4.25Å; V271-M305 HydrophobicContact CG1-CG 3.73Å; V271-M305 HydrophobicContact CG1-SD 3.54Å; V271-M305 VanDerWaalsContact CG1-SD 3.54Å; V271-T306 WeakPolarHBondContact CA-O 3.23Å; V271-V307 HydrophobicContact CG1-CG2 4.37Å
272	Y	81.2	Confident	70.9	Confident	11 Å²	11	36.6 Å²	36.6	4%	0.043	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	144.8	-178.8	-53.7	-99.1	0	0	0	112	V270 S274 P277 S278 H281 L282 M305 T306 V308	V270-Y272 HydrophobicContact CB-CE2 4.13Å; V270-Y272 HydrophobicContact CG1-CD2 4.33Å; V270-Y272 HydrophobicContact CG1-CE1 4.44Å; V270-Y272 HydrophobicContact CG1-CE2 3.51Å; Y272-S274 PolarHBondContact O-N 3.05Å; Y272-P277 HydrophobicContact CD1-CB 3.95Å; Y272-P277 HydrophobicContact CD2-CB 3.71Å; Y272-P277 HydrophobicContact CE1-CB 3.76Å; Y272-P277 HydrophobicContact CE2-CB 3.51Å; Y272-P277 HydrophobicContact CG-CB 3.92Å; Y272-S278 WeakPolarHBondContact CD1-O 3.43Å; Y272-H281 CarbonylContact C-O 3.55Å; Y272-H281 WeakPolarHBondContact CA-O 3.41Å; Y272-H281 WeakPolarHBondContact CB-O 3.07Å; Y272-L282 HydrophobicContact CD1-CB 4.01Å; Y272-L282 HydrophobicContact CD1-CD1 4.05Å; Y272-L282 HydrophobicContact CE1-CB 4.07Å; Y272-L282 HydrophobicContact CE1-CD1 3.81Å; Y272-M305 CarbonylContact O-C 3.55Å; Y272-M305 WeakPolarHBondContact O-CA 3.4Å; Y272-M305 WeakPolarHBondContact O-CG 3.49Å; Y272-T306 HydrophobicContact CD2-CG2 4.31Å; Y272-T306 PolarHBondContact N-O 3.24Å; Y272-T306 PolarHBondContact O-N 3.17Å; Y272-V308 HydrophobicContact CE2-CG2 4.07Å
273	D	80	Confident	71.1	Confident	7 Å²	7	34.2 Å²	34.2	4%	0.037	17%	0.167	C	C	.	.	S	Bend	trans	-87.5	30.1	-179.7	-169.7	40.8	0	0	0	113.5	H281 I283 S300 S301 P359	D273-H281 PolarHBondContact N-O 2.91Å; D273-I283 HydrophobicContact CB-CD1 3.86Å; D273-I283 HydrophobicContact CB-CG1 3.79Å; D273-S300 VanDerWaalsContact OD1-CA 3.28Å; D273-S300 WeakPolarHBondContact OD1-CA 3.4Å; D273-S300 VanDerWaalsContact OD1-CB 3.26Å; D273-S300 WeakPolarHBondContact OD1-CB 3.48Å; D273-S301 PolarHBondContact OD1-N 3.26Å; D273-S301 PolarHBondContact OD1-OG 2.96Å; D273-S301 VanDerWaalsContact OD2-CB 3.26Å; D273-S301 WeakPolarHBondContact OD2-CB 3.05Å; D273-S301 PolarHBondContact OD2-OG 2.68Å; D273-P359 HydrophobicContact CB-CB 4.42Å; D273-P359 HydrophobicContact CB-CG 3.85Å; D273-P359 WeakPolarHBondContact OD2-CB 3.44Å
274	S	75.9	Confident	71.6	Confident	16 Å²	16	30.1 Å²	30.1	11%	0.112	14%	0.141	C	C	.	.	S	Bend	trans	-159.8	169.2	172	79.4	0	0	0	0	111.2	Y272 T276 T306	Y272-S274 PolarHBondContact O-N 3.05Å; S274-T276 PolarHBondContact O-N 2.96Å; S274-T276 PolarHBondContact OG-N 3.06Å; S274-T276 VanDerWaalsContact OG-N 3.15Å; S274-T276 PolarHBondContact OG-O 3.34Å; S274-T276 PolarHBondContact OG-OG1 3.31Å; S274-T306 VanDerWaalsContact O-CB 3.27Å; S274-T306 WeakPolarHBondContact O-CB 3.24Å; S274-T306 PolarHBondContact O-OG1 2.8Å
275	I	71.8	Confident	72.2	Confident	20 Å²	20	27.1 Å²	27.1	10%	0.103	13%	0.131	C	C	.	.	S	Bend	trans	-71.5	-3.6	171.5	-172.1	159.8	0	0	0	114	H147 H245 W304	H147-I275 VanDerWaalsContact CE1-CD1 3.49Å; H147-I275 WeakPolarHBondContact CE1-CD1 3.21Å; H147-I275 VanDerWaalsContact CE1-CG2 3.46Å; H147-I275 WeakPolarHBondContact CE1-CG2 3.27Å; H147-I275 WeakPolarHBondContact NE2-CD1 3.35Å; H245-I275 PolarHBondContact CE1-O 2.95Å; H245-I275 PolarHBondContact NE2-O 2.76Å; I275-W304 HydrophobicContact CB-CD2 4.5Å; I275-W304 HydrophobicContact CB-CE3 4.14Å; I275-W304 HydrophobicContact CD1-CE3 4.07Å; I275-W304 HydrophobicContact CD1-CH2 3.91Å; I275-W304 HydrophobicContact CD1-CZ3 3.6Å; I275-W304 HydrophobicContact CG1-CE3 4.49Å; I275-W304 HydrophobicContact CG1-CZ3 4.43Å
276	T	66.8	Low	72.4	Confident	9 Å²	9	28 Å²	28	6%	0.055	14%	0.135	C	C	.	.	S	Bend	trans	-124.5	101.2	178.8	42.3	0	0	0	0	109.5	Y87 F137 S274 S278	Y87-T276 HydrophobicContact CD1-CG2 4.32Å; F137-T276 HydrophobicContact CZ-CG2 4.36Å; S274-T276 PolarHBondContact O-N 2.96Å; S274-T276 PolarHBondContact OG-N 3.06Å; S274-T276 VanDerWaalsContact OG-N 3.15Å; S274-T276 PolarHBondContact OG-O 3.34Å; S274-T276 PolarHBondContact OG-OG1 3.31Å; T276-S278 PolarHBondContact O-N 2.87Å
277	P	66.7	Low	72.3	Confident	2 Å²	2	24.9 Å²	24.9	1%	0.013	12%	0.123	C	C	.	.			trans	-60.6	128.9	178.5	25.4	-32.8	0	0	0	109.9	V208 L212 Y272	V208-P277 HydrophobicContact CG1-CB 3.85Å; V208-P277 HydrophobicContact CG1-CG 3.85Å; V208-P277 WeakPolarHBondContact CG1-O 3.46Å; L212-P277 HydrophobicContact CD1-CG 4.15Å; L212-P277 HydrophobicContact CD2-CG 3.71Å; L212-P277 HydrophobicContact CG-CG 4.1Å; Y272-P277 HydrophobicContact CD1-CB 3.95Å; Y272-P277 HydrophobicContact CD2-CB 3.71Å; Y272-P277 HydrophobicContact CE1-CB 3.76Å; Y272-P277 HydrophobicContact CE2-CB 3.51Å; Y272-P277 HydrophobicContact CG-CB 3.92Å
278	S	64.6	Low	71.8	Confident	3 Å²	3	25 Å²	25	2%	0.021	13%	0.125	C	C	.	.			trans	-162.7	146.9	-175.5	176	0	0	0	0	107	Y272 T276 H280 H281 L282	Y272-S278 WeakPolarHBondContact CD1-O 3.43Å; T276-S278 PolarHBondContact O-N 2.87Å; S278-H280 PolarHBondContact O-N 2.86Å; S278-H281 CarbonylContact O-C 3.48Å; S278-H281 WeakPolarHBondContact O-CA 3.5Å; S278-H281 PolarHBondContact O-N 3.35Å; S278-L282 PolarHBondContact O-N 3.08Å; S278-L282 VanDerWaalsContact O-N 3.08Å
279	D	60.9	Low	71.1	Confident	57 Å²	57	23.8 Å²	23.8	31%	0.305	12%	0.122	S	C	.	.	G	3₁₀ helix	trans	-60.8	-28.2	-179.7	-49	-62.6	0	0	0	111.9	H281 L282 Y737	D279-H281 PolarHBondContact O-N 2.84Å; D279-L282 PolarHBondContact O-N 2.99Å; D279-Y737 HydrophobicContact CB-CE1 4.02Å; D279-Y737 WeakPolarHBondContact OD1-CE1 3.27Å; D279-Y737 VanDerWaalsContact OD1-CZ 3.29Å; D279-Y737 PolarHBondContact OD1-OH 3.46Å
280	H	62.7	Low	69.8	Low	151 Å²	151	25.5 Å²	25.5	70%	0.699	14%	0.135	S	C	*	.	G	3₁₀ helix	trans	-70.6	-11.1	172.8	-66.3	-56.3	0	0	0	114.6	S278 S435	S278-H280 PolarHBondContact O-N 2.86Å; H280-S435 VanDerWaalsContact O-CB 3.28Å; H280-S435 WeakPolarHBondContact O-CB 3.39Å; H280-S435 PolarHBondContact O-OG 2.65Å
281	H	71.5	Confident	68.4	Low	63 Å²	63	31.8 Å²	31.8	29%	0.292	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-123.1	8.3	176.5	-65.9	-63.8	0	0	0	112.5	Y272 D273 S278 D279 I283	Y272-H281 CarbonylContact C-O 3.55Å; Y272-H281 WeakPolarHBondContact CA-O 3.41Å; Y272-H281 WeakPolarHBondContact CB-O 3.07Å; D273-H281 PolarHBondContact N-O 2.91Å; S278-H281 CarbonylContact O-C 3.48Å; S278-H281 WeakPolarHBondContact O-CA 3.5Å; S278-H281 PolarHBondContact O-N 3.35Å; D279-H281 PolarHBondContact O-N 2.84Å; H281-I283 PolarHBondContact O-N 3.09Å
282	L	71.6	Confident	66.7	Low	1 Å²	1	40.4 Å²	40.4	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	119.9	176.2	178.6	68.7	0	0	0	109.7	V270 Y272 S278 D279 T284 S435 L436 Y737	V270-L282 HydrophobicContact CG1-CD1 3.4Å; Y272-L282 HydrophobicContact CD1-CB 4.01Å; Y272-L282 HydrophobicContact CD1-CD1 4.05Å; Y272-L282 HydrophobicContact CE1-CB 4.07Å; Y272-L282 HydrophobicContact CE1-CD1 3.81Å; S278-L282 PolarHBondContact O-N 3.08Å; S278-L282 VanDerWaalsContact O-N 3.08Å; D279-L282 PolarHBondContact O-N 2.99Å; L282-T284 WeakPolarHBondContact CD1-O 3.41Å; L282-S435 CarbonylContact O-C 3.58Å; L282-L436 HydrophobicContact CD2-CD1 4.04Å; L282-L436 HydrophobicContact CG-CD1 4.29Å; L282-L436 WeakPolarHBondContact O-CA 3.49Å; L282-L436 PolarHBondContact O-N 2.84Å; L282-Y737 HydrophobicContact CD2-CD1 3.41Å; L282-Y737 VanDerWaalsContact CD2-CD1 3.41Å; L282-Y737 HydrophobicContact CD2-CD2 3.84Å; L282-Y737 HydrophobicContact CD2-CE1 3.64Å; L282-Y737 HydrophobicContact CD2-CE2 4.05Å; L282-Y737 HydrophobicContact CD2-CG 3.52Å
283	I	74.5	Confident	65.6	Low	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-54.3	171.4	-44.8	-175.8	0	0	0	108.9	V271 D273 H281 V298 M305 P359	V271-I283 HydrophobicContact CG1-CD1 4.03Å; V271-I283 PolarHBondContact O-N 3.32Å; D273-I283 HydrophobicContact CB-CD1 3.86Å; D273-I283 HydrophobicContact CB-CG1 3.79Å; H281-I283 PolarHBondContact O-N 3.09Å; I283-V298 HydrophobicContact CB-CG1 4.09Å; I283-V298 HydrophobicContact CD1-CG1 4.22Å; I283-V298 HydrophobicContact CG2-CG1 3.6Å; I283-M305 HydrophobicContact CD1-CE 4.39Å; I283-P359 HydrophobicContact CD1-CG 4.39Å; I283-P359 HydrophobicContact CG1-CG 3.92Å; I283-P359 HydrophobicContact CG2-CG 4.26Å
284	T	71.5	Confident	64.9	Low	13 Å²	13	49.8 Å²	49.8	8%	0.08	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	154.7	-175.4	-176.7	0	0	0	0	112	V271 L282 M286 V298	V271-T284 HydrophobicContact CB-CG2 4.13Å; V271-T284 HydrophobicContact CG2-CG2 4.15Å; V271-T284 PolarHBondContact N-O 2.78Å; V271-T284 PolarHBondContact O-N 3.09Å; L282-T284 WeakPolarHBondContact CD1-O 3.41Å; T284-M286 HydrophobicContact CG2-CE 3.82Å; T284-V298 HydrophobicContact CG2-CB 4.41Å; T284-V298 HydrophobicContact CG2-CG1 3.72Å; T284-V298 HydrophobicContact CG2-CG2 3.74Å
285	S	72.8	Confident	64.8	Low	38 Å²	38	52 Å²	52	27%	0.266	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	93.6	177.8	169.8	0	0	0	0	109.2	R268 L269	R268-S285 PolarHBondContact NE-OG 3.12Å; R268-S285 PolarHBondContact NH2-OG 3.42Å; L269-S285 CarbonylContact O-C 3.45Å; L269-S285 WeakPolarHBondContact O-CA 3.29Å
286	M	69.6	Low	65	Low	24 Å²	24	51.3 Å²	51.3	12%	0.118	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	141.9	179.2	-58.5	176.8	-170.3	0	0	110.7	M258 R268 L269 T284 V296 V298	M258-M286 HydrophobicContact SD-SD 3.54Å; R268-M286 WeakPolarHBondContact CA-O 3.48Å; R268-M286 WeakPolarHBondContact CG-O 3.28Å; L269-M286 HydrophobicContact CB-CB 4.48Å; L269-M286 PolarHBondContact N-O 2.85Å; L269-M286 PolarHBondContact O-N 2.95Å; T284-M286 HydrophobicContact CG2-CE 3.82Å; M286-V296 HydrophobicContact CE-CB 4.15Å; M286-V296 HydrophobicContact CE-CG1 3.47Å; M286-V296 VanDerWaalsContact CE-CG1 3.47Å; M286-V296 HydrophobicContact SD-CB 4.46Å; M286-V296 HydrophobicContact SD-CG1 4.33Å; M286-V298 HydrophobicContact CE-CG2 3.52Å
287	Y	63.8	Low	65.7	Low	54 Å²	54	55.7 Å²	55.7	21%	0.212	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	138.4	179.7	-173.2	-83.7	0	0	0	111	R268 D657	R268-Y287 HydrophobicContact CB-CD2 3.83Å; R268-Y287 HydrophobicContact CB-CE2 4.34Å; R268-Y287 HydrophobicContact CG-CD2 3.96Å; Y287-D657 HydrophobicContact CE1-CB 3.89Å; Y287-D657 HydrophobicContact CE2-CB 3.87Å; Y287-D657 VanDerWaalsContact CE2-CG 3.42Å; Y287-D657 WeakPolarHBondContact CE2-OD1 3.38Å; Y287-D657 VanDerWaalsContact CZ-CB 3.49Å; Y287-D657 WeakPolarHBondContact OH-CB 3.29Å; Y287-D657 PolarHBondContact OH-OD1 2.95Å
288	G	62.5	Low	66.4	Low	3 Å²	3	55.7 Å²	55.7	3%	0.031	27%	0.27	C	S	.	.	S	Bend	trans	65.5	-161	-175.6	0	0	0	0	0	110.9	W260 C265 D267	W260-G288 WeakPolarHBondContact CH2-O 3.44Å; W260-G288 WeakPolarHBondContact CZ3-O 3.31Å; C265-G288 WeakPolarHBondContact O-CA 3.45Å; C265-G288 PolarHBondContact SG-O 3.14Å; C265-G288 VanDerWaalsContact SG-O 3.4Å; D267-G288 PolarHBondContact O-N 3.26Å
289	C	61.4	Low	67.2	Low	16 Å²	16	55.6 Å²	55.6	11%	0.108	27%	0.269	C	S	.	.			trans	-111	134.4	-177.8	-81.8	0	0	0	0	109.7	W260 L262 C265	W260-C289 HydrophobicContact CD2-CB 4.45Å; W260-C289 HydrophobicContact CE3-CB 3.96Å; W260-C289 HydrophobicContact CZ3-CB 4.29Å; L262-C289 PolarHBondContact O-SG 2.79Å; C265-C289 HydrophobicContact CB-CB 4.31Å; C265-C289 WeakPolarHBondContact CB-SG 3.49Å; C265-C289 WeakPolarHBondContact SG-CA 3.49Å; C265-C289 WeakPolarHBondContact SG-CB 3.48Å; C265-C289 PolarHBondContact SG-N 3.31Å; C265-C289 CovalentContact SG-SG 2.04Å; C265-C289 PolarHBondContact SG-SG 2.72Å
290	S	52.7	Low	68.3	Low	37 Å²	37	52.9 Å²	52.9	26%	0.259	25%	0.254	S	S	.	.			trans	-66.7	137.5	172.1	-171	0	0	0	0	109.9	H292 E293	S290-H292 PolarHBondContact OG-N 3.25Å; S290-E293 WeakPolarHBondContact CB-O 3.49Å; S290-E293 PolarHBondContact OG-N 2.88Å
291	R	49.8	Very low	69	Low	142 Å²	142	47 Å²	47	54%	0.536	23%	0.23	S	C	.	.	S	Bend	trans	-104.8	7.7	170.8	-68.5	-171.3	176.6	-165.2	0.1	112.6	E264 Y655	E264-R291 IonicContact OE1-NH2 2.87Å; E264-R291 PolarHBondContact OE1-NH2 2.96Å; R291-Y655 PolarHBondContact NE-OH 3.39Å; R291-Y655 VanDerWaalsContact NE-OH 3.1Å; R291-Y655 PolarHBondContact NH2-OH 2.71Å
292	H	48.9	Very low	69.4	Low	182 Å²	182	46 Å²	46	84%	0.843	23%	0.23	S	C	*	.	S	Bend	trans	-131.1	-18.8	-175.7	-61.2	-22.1	0	0	0	113.4	S290	S290-H292 PolarHBondContact OG-N 3.25Å
293	E	58	Low	70	Confident	91 Å²	91	48.8 Å²	48.8	43%	0.425	24%	0.243	S	C	.	.			trans	-133.6	96.5	179.4	-65.6	177.4	172.9	0	0	108.9	W260 S290 V295 V296	W260-E293 PolarHBondContact NE1-O 2.86Å; S290-E293 WeakPolarHBondContact CB-O 3.49Å; S290-E293 PolarHBondContact OG-N 2.88Å; E293-V295 PolarHBondContact O-N 2.87Å; E293-V296 HydrophobicContact CB-CG2 4.2Å
294	D	64.4	Low	70.4	Confident	123 Å²	123	51.1 Å²	51.1	66%	0.658	25%	0.252	S	S	*	.	S	Bend	trans	-64.6	-25	-178.8	-65.7	-38.5	0	0	0	113.1	E259 W260	E259-D294 WeakPolarHBondContact CA-O 3.46Å; W260-D294 PolarHBondContact N-O 2.83Å
295	V	74.5	Confident	71.2	Confident	62 Å²	62	50.5 Å²	50.5	38%	0.376	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	131.1	179.2	173.2	0	0	0	0	109.3	H257 M258 E259 E293 R297	H257-V295 VanDerWaalsContact CE1-CG1 3.47Å; H257-V295 WeakPolarHBondContact CE1-CG1 3.45Å; M258-V295 CarbonylContact O-C 3.6Å; M258-V295 VanDerWaalsContact O-CA 3.32Å; M258-V295 WeakPolarHBondContact O-CA 3.45Å; E259-V295 HydrophobicContact CB-CG2 4.32Å; E259-V295 HydrophobicContact CG-CG2 4.31Å; E293-V295 PolarHBondContact O-N 2.87Å; V295-R297 HydrophobicContact CG1-CG 4.47Å
296	V	76.3	Confident	71.8	Confident	6 Å²	6	48.8 Å²	48.8	4%	0.036	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	139	175.5	-163.7	0	0	0	0	109.2	M258 M286 E293 F356	M258-V296 WeakPolarHBondContact CB-O 3.16Å; M258-V296 PolarHBondContact N-O 2.65Å; M258-V296 PolarHBondContact O-N 3Å; M286-V296 HydrophobicContact CE-CB 4.15Å; M286-V296 HydrophobicContact CE-CG1 3.47Å; M286-V296 VanDerWaalsContact CE-CG1 3.47Å; M286-V296 HydrophobicContact SD-CB 4.46Å; M286-V296 HydrophobicContact SD-CG1 4.33Å; E293-V296 HydrophobicContact CB-CG2 4.2Å; V296-F356 HydrophobicContact CG1-CD2 4.13Å; V296-F356 HydrophobicContact CG1-CE2 4.14Å
297	R	80.3	Confident	72.7	Confident	101 Å²	101	47.6 Å²	47.6	38%	0.381	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	143	176.8	-53.6	166.5	175.9	-162.3	-6.2	110	E255 L256 H257 V295 S355 F356	E255-R297 HydrophobicContact CG-CB 4.23Å; E255-R297 WeakPolarHBondContact OE1-CD 3.35Å; E255-R297 VanDerWaalsContact OE1-CG 3.29Å; E255-R297 WeakPolarHBondContact OE1-CG 3.48Å; E255-R297 IonicContact OE1-CZ 3.39Å; E255-R297 IonicContact OE1-NE 3.89Å; E255-R297 PolarHBondContact OE1-NE 3.01Å; L256-R297 WeakPolarHBondContact O-CA 3.23Å; H257-R297 PolarHBondContact CD2-NE 3.21Å; H257-R297 PolarHBondContact CD2-NH2 2.84Å; H257-R297 PolarHBondContact NE2-NE 2.91Å; H257-R297 PolarHBondContact NE2-NH2 2.83Å; V295-R297 HydrophobicContact CG1-CG 4.47Å; R297-S355 WeakPolarHBondContact CB-OG 3.4Å; R297-F356 PolarHBondContact O-N 2.86Å
298	V	81.6	Confident	73.6	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.012	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	132.6	-176.7	-173.1	0	0	0	0	108.2	L256 V271 I283 T284 M286	L256-V298 HydrophobicContact CB-CB 4.34Å; L256-V298 PolarHBondContact N-O 2.82Å; L256-V298 PolarHBondContact O-N 3.46Å; V271-V298 HydrophobicContact CB-CG1 4.24Å; V271-V298 HydrophobicContact CG1-CG1 3.89Å; I283-V298 HydrophobicContact CB-CG1 4.09Å; I283-V298 HydrophobicContact CD1-CG1 4.22Å; I283-V298 HydrophobicContact CG2-CG1 3.6Å; T284-V298 HydrophobicContact CG2-CB 4.41Å; T284-V298 HydrophobicContact CG2-CG1 3.72Å; T284-V298 HydrophobicContact CG2-CG2 3.74Å; M286-V298 HydrophobicContact CE-CG2 3.52Å
299	L	81.3	Confident	74.7	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	140	-175.6	-70.5	122.8	0	0	0	112.8	Q253 L254 E255 F352 P358	Q253-L299 HydrophobicContact CG-CD2 4.32Å; L254-L299 VanDerWaalsContact O-CA 3.29Å; L254-L299 WeakPolarHBondContact O-CA 3.35Å; E255-L299 HydrophobicContact CB-CD2 3.9Å; E255-L299 HydrophobicContact CB-CG 4.3Å; E255-L299 HydrophobicContact CG-CD2 4.42Å; E255-L299 HydrophobicContact CG-CG 4.42Å; L299-F352 HydrophobicContact CD1-CB 3.52Å; L299-F352 HydrophobicContact CD1-CD1 4.19Å; L299-F352 HydrophobicContact CD1-CD2 3.5Å; L299-F352 HydrophobicContact CD1-CE2 4.28Å; L299-F352 HydrophobicContact CD1-CG 3.46Å; L299-F352 VanDerWaalsContact CD1-CG 3.46Å; L299-F352 HydrophobicContact CD2-CD1 4.4Å; L299-F352 HydrophobicContact CD2-CD2 4.03Å; L299-F352 HydrophobicContact CD2-CE1 4.33Å; L299-F352 HydrophobicContact CD2-CE2 3.95Å; L299-F352 HydrophobicContact CD2-CG 4.27Å; L299-F352 HydrophobicContact CD2-CZ 4.11Å; L299-F352 HydrophobicContact CG-CD2 4.35Å; L299-P358 HydrophobicContact CB-CG 3.86Å
300	S	85.6	Confident	75.4	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.225	C	C	.	.			trans	-76.5	152.3	169.1	61.1	0	0	0	0	111.4	L254 D273 S302 W304	L254-S300 WeakPolarHBondContact CB-OG 3.49Å; L254-S300 PolarHBondContact N-OG 3.11Å; L254-S300 PolarHBondContact O-N 3.05Å; D273-S300 VanDerWaalsContact OD1-CA 3.28Å; D273-S300 WeakPolarHBondContact OD1-CA 3.4Å; D273-S300 VanDerWaalsContact OD1-CB 3.26Å; D273-S300 WeakPolarHBondContact OD1-CB 3.48Å; S300-S302 WeakPolarHBondContact CB-O 3.29Å; S300-S302 PolarHBondContact OG-O 2.9Å; S300-W304 WeakPolarHBondContact CB-O 3.2Å
301	S	77.3	Confident	76.4	Confident	27 Å²	27	46 Å²	46	19%	0.189	22%	0.218	C	C	.	.	S	Bend	trans	-78.3	-13.9	168.9	80.6	0	0	0	0	112.8	D273 P359 N360	D273-S301 PolarHBondContact OD1-N 3.26Å; D273-S301 PolarHBondContact OD1-OG 2.96Å; D273-S301 VanDerWaalsContact OD2-CB 3.26Å; D273-S301 WeakPolarHBondContact OD2-CB 3.05Å; D273-S301 PolarHBondContact OD2-OG 2.68Å; S301-P359 WeakPolarHBondContact CB-O 3.28Å; S301-N360 PolarHBondContact OG-ND2 3.31Å; S301-N360 VanDerWaalsContact OG-ND2 3.16Å
302	S	78.3	Confident	77.1	Confident	43 Å²	43	39.7 Å²	39.7	30%	0.301	20%	0.197	S	C	.	.	S	Bend	trans	-141.6	-176.8	-167.2	75.9	0	0	0	0	113.1	S300 W304	S300-S302 WeakPolarHBondContact CB-O 3.29Å; S300-S302 PolarHBondContact OG-O 2.9Å; S302-W304 PolarHBondContact O-N 2.92Å; S302-W304 PolarHBondContact OG-N 2.68Å
303	E	84.3	Confident	77.4	Confident	59 Å²	59	35.5 Å²	35.5	28%	0.276	18%	0.18	S	C	.	.	S	Bend	trans	-57.1	-15.4	175.8	-63	174.6	-157.5	0	0	114.9	Q247 T248 P250 L254	Q247-E303 CarbonylContact C-O 3.58Å; Q247-E303 VanDerWaalsContact CA-O 3.29Å; Q247-E303 WeakPolarHBondContact CA-O 3.41Å; Q247-E303 PolarHBondContact NE2-OE2 3.31Å; T248-E303 PolarHBondContact N-O 3.34Å; P250-E303 WeakPolarHBondContact CA-OE1 3.31Å; P250-E303 WeakPolarHBondContact CB-OE1 3.47Å; P250-E303 WeakPolarHBondContact CG-OE1 3.43Å; L254-E303 WeakPolarHBondContact CD1-O 3.39Å
304	W	83.5	Confident	77.3	Confident	50 Å²	50	39.3 Å²	39.3	19%	0.189	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	140	-164.6	-70.8	93.6	0	0	0	113.3	Y221 L246 Q247 I275 S300 S302	Y221-W304 HydrophobicContact CD2-CZ3 4.41Å; Y221-W304 AromaticContact CE2-CH2 3.94Å; Y221-W304 HydrophobicContact CE2-CH2 3.94Å; Y221-W304 AromaticContact CE2-CZ3 3.76Å; Y221-W304 HydrophobicContact CE2-CZ3 3.76Å; L246-W304 WeakPolarHBondContact O-CA 3.38Å; Q247-W304 HydrophobicContact CB-CD2 4.3Å; Q247-W304 HydrophobicContact CB-CE3 3.97Å; Q247-W304 HydrophobicContact CB-CH2 3.95Å; Q247-W304 HydrophobicContact CB-CZ2 4.27Å; Q247-W304 HydrophobicContact CB-CZ3 3.78Å; Q247-W304 HydrophobicContact CG-CD2 3.87Å; Q247-W304 HydrophobicContact CG-CE3 4.05Å; Q247-W304 HydrophobicContact CG-CH2 3.84Å; Q247-W304 HydrophobicContact CG-CZ2 3.64Å; Q247-W304 HydrophobicContact CG-CZ3 4.04Å; I275-W304 HydrophobicContact CB-CD2 4.5Å; I275-W304 HydrophobicContact CB-CE3 4.14Å; I275-W304 HydrophobicContact CD1-CE3 4.07Å; I275-W304 HydrophobicContact CD1-CH2 3.91Å; I275-W304 HydrophobicContact CD1-CZ3 3.6Å; I275-W304 HydrophobicContact CG1-CE3 4.49Å; I275-W304 HydrophobicContact CG1-CZ3 4.43Å; S300-W304 WeakPolarHBondContact CB-O 3.2Å; S302-W304 PolarHBondContact O-N 2.92Å; S302-W304 PolarHBondContact OG-N 2.68Å
305	M	88.3	Confident	76.9	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	135.6	169.3	-171.7	-171.2	-76.6	0	0	110.5	L246 L254 L256 V271 Y272 I283 V307	L246-M305 HydrophobicContact CB-CB 4.33Å; L246-M305 WeakPolarHBondContact CB-O 3.43Å; L246-M305 HydrophobicContact CD1-CB 4.45Å; L246-M305 HydrophobicContact CD1-SD 4.28Å; L246-M305 PolarHBondContact N-O 3.41Å; L246-M305 PolarHBondContact O-N 3.39Å; L254-M305 HydrophobicContact CB-CB 4.38Å; L254-M305 HydrophobicContact CB-CE 4.07Å; L254-M305 HydrophobicContact CD1-CB 3.68Å; L254-M305 VanDerWaalsContact O-CE 3.26Å; L254-M305 WeakPolarHBondContact O-CE 3.34Å; L256-M305 HydrophobicContact CB-CE 4.16Å; L256-M305 HydrophobicContact CB-SD 3.78Å; L256-M305 HydrophobicContact CD2-SD 4.2Å; L256-M305 HydrophobicContact CG-SD 4.47Å; V271-M305 HydrophobicContact CG1-CE 4.25Å; V271-M305 HydrophobicContact CG1-CG 3.73Å; V271-M305 HydrophobicContact CG1-SD 3.54Å; V271-M305 VanDerWaalsContact CG1-SD 3.54Å; Y272-M305 CarbonylContact O-C 3.55Å; Y272-M305 WeakPolarHBondContact O-CA 3.4Å; Y272-M305 WeakPolarHBondContact O-CG 3.49Å; I283-M305 HydrophobicContact CD1-CE 4.39Å; M305-V307 HydrophobicContact CG-CG2 4.01Å; M305-V307 HydrophobicContact SD-CG2 3.78Å
306	T	85.9	Confident	76.2	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	126	169.4	-64.3	0	0	0	0	109.7	L243 W244 H245 V271 Y272 S274 V308	L243-T306 HydrophobicContact CD1-CG2 4.22Å; L243-T306 HydrophobicContact CD2-CG2 4.21Å; L243-T306 HydrophobicContact CG-CG2 4.16Å; W244-T306 CarbonylContact O-C 3.52Å; W244-T306 WeakPolarHBondContact O-CA 3.43Å; H245-T306 PolarHBondContact CD2-OG1 3.37Å; H245-T306 PolarHBondContact NE2-OG1 2.84Å; V271-T306 WeakPolarHBondContact CA-O 3.23Å; Y272-T306 HydrophobicContact CD2-CG2 4.31Å; Y272-T306 PolarHBondContact N-O 3.24Å; Y272-T306 PolarHBondContact O-N 3.17Å; S274-T306 VanDerWaalsContact O-CB 3.27Å; S274-T306 WeakPolarHBondContact O-CB 3.24Å; S274-T306 PolarHBondContact O-OG1 2.8Å; T306-V308 HydrophobicContact CG2-CG2 4.26Å
307	V	88.4	Confident	75.7	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	122.1	-180	-172.3	0	0	0	0	109.6	W244 L246 L256 L269 V271 M305 L322	W244-V307 HydrophobicContact CB-CB 4.27Å; W244-V307 PolarHBondContact N-O 2.99Å; W244-V307 PolarHBondContact O-N 2.83Å; L246-V307 HydrophobicContact CD1-CG2 3.71Å; L256-V307 HydrophobicContact CD1-CG2 4.09Å; L256-V307 HydrophobicContact CD2-CG1 3.91Å; L256-V307 HydrophobicContact CD2-CG2 3.82Å; L269-V307 HydrophobicContact CD1-CG1 3.59Å; L269-V307 HydrophobicContact CG-CG1 4.28Å; V271-V307 HydrophobicContact CG1-CG2 4.37Å; M305-V307 HydrophobicContact CG-CG2 4.01Å; M305-V307 HydrophobicContact SD-CG2 3.78Å; V307-L322 HydrophobicContact CG1-CD2 4.22Å
308	V	82.9	Confident	75.2	Confident	3 Å²	3	46.2 Å²	46.2	2%	0.018	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	117.2	177.7	-165.8	0	0	0	0	109.3	V211 L243 L269 V270 Y272 T306	V211-V308 HydrophobicContact CG1-CG1 3.66Å; L243-V308 HydrophobicContact CD1-CG2 3.81Å; L243-V308 HydrophobicContact CG-CG2 4.13Å; L269-V308 WeakPolarHBondContact CA-O 3.02Å; V270-V308 HydrophobicContact CB-CB 4.37Å; V270-V308 PolarHBondContact N-O 2.82Å; V270-V308 PolarHBondContact O-N 3.47Å; Y272-V308 HydrophobicContact CE2-CG2 4.07Å; T306-V308 HydrophobicContact CG2-CG2 4.26Å
309	W	84.8	Confident	74.8	Confident	3 Å²	3	46.1 Å²	46.1	1%	0.011	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	111.7	175.1	-178.4	-15.5	0	0	0	108.1	L232 G234 S241 C242 D267 L269 D318 F320 L322	L232-W309 WeakPolarHBondContact O-CZ3 2.99Å; G234-W309 VanDerWaalsContact CA-CE3 3.44Å; G234-W309 VanDerWaalsContact N-CZ3 3.29Å; S241-W309 CarbonylContact C-O 3.51Å; S241-W309 WeakPolarHBondContact CA-O 3.41Å; C242-W309 PolarHBondContact N-O 3.24Å; C242-W309 PolarHBondContact O-N 2.91Å; D267-W309 PolarHBondContact OD2-NE1 2.67Å; L269-W309 HydrophobicContact CD1-CB 4.04Å; L269-W309 HydrophobicContact CD1-CG 4.49Å; W309-D318 HydrophobicContact CH2-CB 4.08Å; W309-D318 HydrophobicContact CZ2-CB 3.96Å; W309-F320 AromaticContact CD1-CZ 3.86Å; W309-F320 AromaticContact CD2-CE2 3.59Å; W309-F320 HydrophobicContact CD2-CE2 3.59Å; W309-F320 AromaticContact CD2-CZ 3.6Å; W309-F320 HydrophobicContact CD2-CZ 3.6Å; W309-F320 AromaticContact CE2-CE2 3.53Å; W309-F320 AromaticContact CE2-CZ 3.35Å; W309-F320 AromaticContact CE3-CE2 3.61Å; W309-F320 HydrophobicContact CE3-CE2 3.61Å; W309-F320 HydrophobicContact CE3-CZ 4.13Å; W309-F320 HydrophobicContact CG-CE2 4.34Å; W309-F320 AromaticContact CG-CZ 3.97Å; W309-F320 HydrophobicContact CG-CZ 3.97Å; W309-F320 AromaticContact CH2-CD2 3.89Å; W309-F320 HydrophobicContact CH2-CD2 3.89Å; W309-F320 AromaticContact CH2-CE2 3.57Å; W309-F320 HydrophobicContact CH2-CE2 3.57Å; W309-F320 HydrophobicContact CH2-CZ 4.23Å; W309-F320 HydrophobicContact CZ2-CD2 4.08Å; W309-F320 HydrophobicContact CZ2-CE1 4.36Å; W309-F320 AromaticContact CZ2-CE2 3.56Å; W309-F320 HydrophobicContact CZ2-CE2 3.56Å; W309-F320 AromaticContact CZ2-CZ 3.73Å; W309-F320 HydrophobicContact CZ2-CZ 3.73Å; W309-F320 HydrophobicContact CZ3-CD2 4.15Å; W309-F320 AromaticContact CZ3-CE2 3.59Å; W309-F320 HydrophobicContact CZ3-CE2 3.59Å; W309-F320 HydrophobicContact CZ3-CZ 4.4Å; W309-F320 AromaticContact NE1-CZ 3.52Å; W309-L322 HydrophobicContact CE3-CD2 3.94Å; W309-L322 HydrophobicContact CZ3-CB 4.06Å; W309-L322 HydrophobicContact CZ3-CD2 4.22Å
310	K	76.8	Confident	74.7	Confident	49 Å²	49	46.3 Å²	46.3	21%	0.213	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	131	172	-177.3	173.9	-179.3	169.7	0	109.3	L240 D267 R268 E659	L240-K310 CarbonylContact O-C 3.32Å; L240-K310 VanDerWaalsContact O-CA 3.29Å; L240-K310 WeakPolarHBondContact O-CA 2.94Å; L240-K310 WeakPolarHBondContact O-CG 3.28Å; D267-K310 CarbonylContact C-O 3.52Å; D267-K310 WeakPolarHBondContact CA-O 3.01Å; R268-K310 HydrophobicContact CB-CB 4.36Å; R268-K310 PolarHBondContact N-O 2.8Å; R268-K310 PolarHBondContact O-N 3.33Å; K310-E659 IonicContact NZ-OE1 2.71Å; K310-E659 PolarHBondContact NZ-OE1 3.02Å; K310-E659 IonicContact NZ-OE2 2.91Å; K310-E659 PolarHBondContact NZ-OE2 3.35Å
311	K	73.4	Confident	74.7	Confident	22 Å²	22	48 Å²	48	10%	0.096	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-95.8	137.6	-172.7	-173.8	154.6	-174.4	165.3	0	111.5	P235 L240 N315 D318	P235-K311 HydrophobicContact CG-CB 3.6Å; P235-K311 HydrophobicContact CG-CD 3.88Å; P235-K311 HydrophobicContact CG-CG 4.42Å; L240-K311 PolarHBondContact O-N 3.47Å; K311-N315 WeakPolarHBondContact CE-O 3.47Å; K311-D318 IonicContact NZ-OD1 2.8Å; K311-D318 PolarHBondContact NZ-OD1 2.92Å
312	G	64.6	Low	75.3	Confident	9 Å²	9	47 Å²	47	9%	0.093	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-68.3	145.1	-177.9	0	0	0	0	0	112.8	R266 D267 Y314 N315	R266-G312 WeakPolarHBondContact O-CA 3.35Å; R266-G312 PolarHBondContact O-N 3.19Å; D267-G312 PolarHBondContact OD1-N 3.25Å; G312-Y314 PolarHBondContact O-N 2.81Å; G312-N315 WeakPolarHBondContact O-CB 3.39Å; G312-N315 PolarHBondContact O-N 3.35Å; G312-N315 VanDerWaalsContact O-N 3.13Å
313	L	55.8	Low	75.9	Confident	94 Å²	94	46 Å²	46	49%	0.492	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	130.9	170.9	-83.7	160.1	0	0	0	110.4	N315	L313-N315 VanDerWaalsContact C-N 3.27Å; L313-N315 PolarHBondContact O-N 2.83Å
314	Y	55.5	Low	76.3	Confident	171 Å²	171	43.3 Å²	43.3	67%	0.671	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.9	14.8	-177.6	-47	-79.7	0	0	0	116.5	G312 Y316	G312-Y314 PolarHBondContact O-N 2.81Å; Y314-Y316 WeakPolarHBondContact O-CD2 3.31Å; Y314-Y316 VanDerWaalsContact O-CE2 3.3Å; Y314-Y316 WeakPolarHBondContact O-CE2 3.3Å; Y314-Y316 PolarHBondContact O-N 2.92Å
315	N	56.3	Low	76.7	Confident	35 Å²	35	42.9 Å²	42.9	19%	0.187	20%	0.199	C	C	.	.			trans	-82.1	106.8	177.4	-163	5.1	0	0	0	112.6	D267 K311 G312 L313 K317	D267-N315 PolarHBondContact OD1-ND2 2.83Å; K311-N315 WeakPolarHBondContact CE-O 3.47Å; G312-N315 WeakPolarHBondContact O-CB 3.39Å; G312-N315 PolarHBondContact O-N 3.35Å; G312-N315 VanDerWaalsContact O-N 3.13Å; L313-N315 VanDerWaalsContact C-N 3.27Å; L313-N315 PolarHBondContact O-N 2.83Å; N315-K317 VanDerWaalsContact CG-O 3.3Å; N315-K317 PolarHBondContact ND2-O 3.35Å; N315-K317 PolarHBondContact OD1-O 2.8Å; N315-K317 VanDerWaalsContact OD1-O 3.1Å
316	Y	58.8	Low	76.7	Confident	194 Å²	194	43 Å²	43	76%	0.761	20%	0.2	S	C	*	.			trans	-84.4	-8.9	-175.1	-66.1	-79.4	0	0	0	115.1	Y314	Y314-Y316 WeakPolarHBondContact O-CD2 3.31Å; Y314-Y316 VanDerWaalsContact O-CE2 3.3Å; Y314-Y316 WeakPolarHBondContact O-CE2 3.3Å; Y314-Y316 PolarHBondContact O-N 2.92Å
317	K	65.6	Low	76.5	Confident	141 Å²	141	47.3 Å²	47.3	61%	0.613	22%	0.216	S	C	*	.	S	Bend	trans	-128.3	156.3	177.2	-70.2	-178	179.2	179.3	0	109.6	L262 N315 P319	L262-K317 HydrophobicContact CD1-CB 4.05Å; N315-K317 VanDerWaalsContact CG-O 3.3Å; N315-K317 PolarHBondContact ND2-O 3.35Å; N315-K317 PolarHBondContact OD1-O 2.8Å; N315-K317 VanDerWaalsContact OD1-O 3.1Å; K317-P319 WeakPolarHBondContact O-CD 3.15Å
318	D	70.6	Confident	76.2	Confident	67 Å²	67	50.9 Å²	50.9	36%	0.358	24%	0.24	S	C	.	.			trans	-77	120.5	169	-67.5	-6.1	0	0	0	107.2	W309 K311	W309-D318 HydrophobicContact CH2-CB 4.08Å; W309-D318 HydrophobicContact CZ2-CB 3.96Å; K311-D318 IonicContact NZ-OD1 2.8Å; K311-D318 PolarHBondContact NZ-OD1 2.92Å
319	P	72.3	Confident	75.8	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	26%	0.264	C	S	.	.			trans	-86.4	-11.3	-166.5	32.1	-34.1	0	0	0	114.4	L261 L262 C265 D267 K317	L261-P319 PolarHBondContact N-O 3.2Å; L262-P319 HydrophobicContact CB-CB 4.41Å; L262-P319 HydrophobicContact CD1-CB 4.12Å; L262-P319 PolarHBondContact N-O 3.16Å; C265-P319 HydrophobicContact CB-CB 3.22Å; C265-P319 HydrophobicContact CB-CG 3.57Å; D267-P319 HydrophobicContact CB-CG 3.81Å; K317-P319 WeakPolarHBondContact O-CD 3.15Å
320	F	79.1	Confident	75.2	Confident	5 Å²	5	61.6 Å²	61.6	2%	0.022	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	148.6	176.1	50.7	-100.6	0	0	0	111.1	M258 E259 W260 D267 L269 W309 L322	M258-F320 HydrophobicContact CE-CB 3.99Å; M258-F320 HydrophobicContact CE-CD1 3.27Å; M258-F320 HydrophobicContact CE-CD2 3.61Å; M258-F320 HydrophobicContact CE-CE1 3.46Å; M258-F320 VanDerWaalsContact CE-CE1 3.46Å; M258-F320 HydrophobicContact CE-CE2 3.79Å; M258-F320 HydrophobicContact CE-CG 3.34Å; M258-F320 HydrophobicContact CE-CZ 3.72Å; M258-F320 HydrophobicContact CG-CB 4.26Å; M258-F320 HydrophobicContact CG-CD2 4.26Å; M258-F320 HydrophobicContact CG-CG 4.32Å; E259-F320 CarbonylContact O-C 3.26Å; E259-F320 WeakPolarHBondContact O-CA 3.47Å; E259-F320 VanDerWaalsContact O-CB 3.28Å; E259-F320 WeakPolarHBondContact O-CB 3.13Å; W260-F320 HydrophobicContact CE3-CB 3.89Å; W260-F320 AromaticContact CE3-CD1 3.94Å; W260-F320 HydrophobicContact CE3-CD1 3.94Å; W260-F320 HydrophobicContact CE3-CG 4.35Å; W260-F320 HydrophobicContact CH2-CD1 4.36Å; W260-F320 HydrophobicContact CZ3-CB 4.3Å; W260-F320 AromaticContact CZ3-CD1 3.52Å; W260-F320 HydrophobicContact CZ3-CD1 3.52Å; W260-F320 HydrophobicContact CZ3-CE1 4.22Å; W260-F320 HydrophobicContact CZ3-CG 4.26Å; D267-F320 HydrophobicContact CB-CE1 3.82Å; L269-F320 HydrophobicContact CB-CZ 4.31Å; L269-F320 HydrophobicContact CD1-CE2 4.31Å; L269-F320 HydrophobicContact CD1-CZ 4.24Å; W309-F320 AromaticContact CD1-CZ 3.86Å; W309-F320 AromaticContact CD2-CE2 3.59Å; W309-F320 HydrophobicContact CD2-CE2 3.59Å; W309-F320 AromaticContact CD2-CZ 3.6Å; W309-F320 HydrophobicContact CD2-CZ 3.6Å; W309-F320 AromaticContact CE2-CE2 3.53Å; W309-F320 AromaticContact CE2-CZ 3.35Å; W309-F320 AromaticContact CE3-CE2 3.61Å; W309-F320 HydrophobicContact CE3-CE2 3.61Å; W309-F320 HydrophobicContact CE3-CZ 4.13Å; W309-F320 HydrophobicContact CG-CE2 4.34Å; W309-F320 AromaticContact CG-CZ 3.97Å; W309-F320 HydrophobicContact CG-CZ 3.97Å; W309-F320 AromaticContact CH2-CD2 3.89Å; W309-F320 HydrophobicContact CH2-CD2 3.89Å; W309-F320 AromaticContact CH2-CE2 3.57Å; W309-F320 HydrophobicContact CH2-CE2 3.57Å; W309-F320 HydrophobicContact CH2-CZ 4.23Å; W309-F320 HydrophobicContact CZ2-CD2 4.08Å; W309-F320 HydrophobicContact CZ2-CE1 4.36Å; W309-F320 AromaticContact CZ2-CE2 3.56Å; W309-F320 HydrophobicContact CZ2-CE2 3.56Å; W309-F320 AromaticContact CZ2-CZ 3.73Å; W309-F320 HydrophobicContact CZ2-CZ 3.73Å; W309-F320 HydrophobicContact CZ3-CD2 4.15Å; W309-F320 AromaticContact CZ3-CE2 3.59Å; W309-F320 HydrophobicContact CZ3-CE2 3.59Å; W309-F320 HydrophobicContact CZ3-CZ 4.4Å; W309-F320 AromaticContact NE1-CZ 3.52Å; F320-L322 HydrophobicContact CD2-CB 4.08Å; F320-L322 HydrophobicContact CE2-CB 4.23Å; F320-L322 HydrophobicContact CE2-CD1 4.49Å; F320-L322 HydrophobicContact CE2-CD2 4.27Å
321	S	86.4	Confident	74.9	Confident	36 Å²	36	65.6 Å²	65.6	25%	0.252	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	135.4	161.8	144.9	0	0	0	0	107.4	M258 E259	M258-S321 WeakPolarHBondContact CA-O 3.44Å; E259-S321 PolarHBondContact N-O 3.34Å; E259-S321 PolarHBondContact O-N 3.48Å; E259-S321 WeakPolarHBondContact OE2-CB 3.24Å; E259-S321 PolarHBondContact OE2-OG 3.47Å
322	L	90.2	Very high	75.2	Confident	6 Å²	6	65.7 Å²	65.7	3%	0.031	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	129.7	179.4	-165.2	70.4	0	0	0	109	A231 L232 L256 H257 M258 L269 V307 W309 F320	A231-L322 CarbonylContact C-O 3.53Å; A231-L322 WeakPolarHBondContact CA-O 3.29Å; L232-L322 HydrophobicContact CB-CB 4.3Å; L232-L322 HydrophobicContact CB-CD2 3.94Å; L232-L322 HydrophobicContact CB-CG 4.15Å; L232-L322 HydrophobicContact CD1-CD2 3.94Å; L232-L322 HydrophobicContact CD1-CG 4.15Å; L232-L322 PolarHBondContact N-O 3.13Å; L256-L322 HydrophobicContact CD1-CD1 3.83Å; L256-L322 HydrophobicContact CD1-CD2 4.23Å; L256-L322 HydrophobicContact CD1-CG 3.9Å; L256-L322 HydrophobicContact CD2-CD1 4.23Å; L256-L322 HydrophobicContact CG-CD1 3.88Å; H257-L322 WeakPolarHBondContact O-CA 3.5Å; M258-L322 HydrophobicContact CB-CD1 3.88Å; M258-L322 HydrophobicContact CG-CD1 3.98Å; L269-L322 HydrophobicContact CD1-CD2 3.85Å; L269-L322 HydrophobicContact CD2-CD1 3.74Å; L269-L322 HydrophobicContact CD2-CD2 4.41Å; V307-L322 HydrophobicContact CG1-CD2 4.22Å; W309-L322 HydrophobicContact CE3-CD2 3.94Å; W309-L322 HydrophobicContact CZ3-CB 4.06Å; W309-L322 HydrophobicContact CZ3-CD2 4.22Å; F320-L322 HydrophobicContact CD2-CB 4.08Å; F320-L322 HydrophobicContact CE2-CB 4.23Å; F320-L322 HydrophobicContact CE2-CD1 4.49Å; F320-L322 HydrophobicContact CE2-CD2 4.27Å
323	S	91.3	Very high	76.4	Confident	22 Å²	22	70.7 Å²	70.7	15%	0.154	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	153.4	176.1	65.5	0	0	0	0	111.7	M230 L256 H257	M230-S323 CarbonylContact O-C 3.55Å; M230-S323 VanDerWaalsContact O-CA 3.23Å; M230-S323 WeakPolarHBondContact O-CA 3.5Å; M230-S323 WeakPolarHBondContact O-CB 3.26Å; L256-S323 CarbonylContact C-O 3.59Å; L256-S323 WeakPolarHBondContact CA-O 3.48Å; H257-S323 PolarHBondContact N-O 2.85Å; H257-S323 PolarHBondContact O-N 2.79Å
324	A	91.9	Very high	77.9	Confident	1 Å²	1	68.7 Å²	68.7	1%	0.008	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	140	175.7	0	0	0	0	0	111.2	V224 M230 L232 L246 E255	V224-A324 HydrophobicContact CG1-CB 4.45Å; V224-A324 HydrophobicContact CG2-CB 4.14Å; M230-A324 HydrophobicContact CE-CB 4.25Å; M230-A324 PolarHBondContact N-O 2.82Å; M230-A324 PolarHBondContact O-N 2.88Å; L232-A324 HydrophobicContact CD1-CB 4.23Å; L246-A324 HydrophobicContact CD1-CB 3.87Å; E255-A324 CarbonylContact O-C 3.58Å; E255-A324 VanDerWaalsContact O-CA 3.25Å; E255-A324 WeakPolarHBondContact O-CA 3.46Å
325	Q	90.8	Very high	79.7	Confident	41 Å²	41	64.4 Å²	64.4	19%	0.192	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	148.5	175	-173.2	164.3	-5.3	0	0	110.2	S226 P229 E255	S226-Q325 PolarHBondContact O-NE2 3.24Å; P229-Q325 HydrophobicContact CB-CB 4.26Å; E255-Q325 PolarHBondContact N-O 2.83Å; E255-Q325 PolarHBondContact O-N 2.81Å
326	A	89.4	Confident	81.5	Confident	2 Å²	2	63.6 Å²	63.6	2%	0.017	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	133.9	174	0	0	0	0	0	111.1	V224 S226 T248 Q253	V224-A326 HydrophobicContact CG1-CB 4.23Å; S226-A326 VanDerWaalsContact CA-O 3.29Å; S226-A326 WeakPolarHBondContact CA-O 3.3Å; S226-A326 WeakPolarHBondContact CB-O 3.49Å; T248-A326 WeakPolarHBondContact OG1-CB 3.47Å; Q253-A326 WeakPolarHBondContact O-CA 3.29Å
327	W	82.7	Confident	83.1	Confident	92 Å²	92	61.9 Å²	61.9	35%	0.348	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	150.8	175.5	-65.8	98.1	0	0	0	110.4	S252 Q253 E255	S252-W327 CarbonylContact C-O 3.35Å; S252-W327 VanDerWaalsContact CA-O 3.22Å; S252-W327 WeakPolarHBondContact CA-O 3.26Å; S252-W327 VanDerWaalsContact CB-O 3.25Å; S252-W327 WeakPolarHBondContact CB-O 3.21Å; Q253-W327 HydrophobicContact CG-CB 4.18Å; Q253-W327 PolarHBondContact N-O 2.86Å; Q253-W327 PolarHBondContact O-N 3.36Å; E255-W327 PolarHBondContact OE2-NE1 2.54Å
328	P	81.1	Confident	84.4	Confident	76 Å²	76	55.6 Å²	55.6	49%	0.494	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	147.2	167.6	28.2	-35	0	0	0	110.1	Q253 Q330	Q253-P328 PolarHBondContact NE2-O 3.06Å; P328-Q330 PolarHBondContact O-N 3.16Å
329	Q	75.4	Confident	85.3	Confident	114 Å²	114	59.3 Å²	59.3	53%	0.533	31%	0.309	S	S	.	.			trans	-61.4	135.4	169.2	-167.8	166	9.7	0	0	109.7	G251	G251-Q329 WeakPolarHBondContact O-CB 3.28Å; G251-Q329 PolarHBondContact O-N 3.43Å; G251-Q329 VanDerWaalsContact O-N 3.11Å
330	Q	71.2	Confident	86	Confident	117 Å²	117	66.5 Å²	66.5	55%	0.547	34%	0.343	S	S	.	.			trans	-113.4	119.3	177.8	-73	-169.1	-4.1	0	0	110.3	P328 C332 F352	P328-Q330 PolarHBondContact O-N 3.16Å; Q330-C332 PolarHBondContact O-N 2.75Å; Q330-F352 HydrophobicContact CG-CZ 4.46Å
331	D	71.6	Confident	86.3	Confident	132 Å²	132	70.3 Å²	70.3	71%	0.706	37%	0.366	S	S	*	.			trans	-75.4	115.6	171.7	-63.5	-46	0	0	0	110.1	I333	D331-I333 HydrophobicContact CB-CD1 4.33Å; D331-I333 HydrophobicContact CB-CG1 4.27Å; D331-I333 PolarHBondContact O-N 2.82Å
332	C	79	Confident	86	Confident	25 Å²	25	76.9 Å²	76.9	17%	0.169	39%	0.393	C	S	.	.			trans	-80.5	55.3	171.9	43.6	0	0	0	0	111.8	Q330 P351 N362 C363 T364	Q330-C332 PolarHBondContact O-N 2.75Å; C332-P351 HydrophobicContact CB-CG 3.92Å; C332-N362 PolarHBondContact SG-O 2.86Å; C332-C363 HydrophobicContact CB-CB 3.65Å; C332-C363 WeakPolarHBondContact CB-SG 3.4Å; C332-C363 CarbonylContact O-C 3.48Å; C332-C363 VanDerWaalsContact O-CA 3.3Å; C332-C363 WeakPolarHBondContact O-CA 3.37Å; C332-C363 WeakPolarHBondContact SG-CA 3.23Å; C332-C363 WeakPolarHBondContact SG-CB 3.34Å; C332-C363 CovalentContact SG-SG 2.04Å; C332-C363 PolarHBondContact SG-SG 2.96Å; C332-T364 PolarHBondContact O-N 2.77Å
333	I	88.9	Confident	85.7	Confident	114 Å²	114	78.7 Å²	78.7	59%	0.585	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.7	124.8	176.5	-56.8	176.1	0	0	0	109	D331 T364	D331-I333 HydrophobicContact CB-CD1 4.33Å; D331-I333 HydrophobicContact CB-CG1 4.27Å; D331-I333 PolarHBondContact O-N 2.82Å; I333-T364 WeakPolarHBondContact CA-O 3.5Å
334	S	88.5	Confident	85.5	Confident	51 Å²	51	81.4 Å²	81.4	36%	0.357	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	163.2	177.4	68.9	0	0	0	0	114	T364 W365 T366	S334-T364 PolarHBondContact N-O 3.07Å; S334-W365 VanDerWaalsContact OG-CD1 3.29Å; S334-T366 PolarHBondContact O-N 3.43Å
335	S	92.3	Very high	85.5	Confident	81 Å²	81	83.9 Å²	83.9	57%	0.566	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.7	125	178.8	-172.6	0	0	0	0	109.6	T366	S335-T366 CarbonylContact C-O 3.46Å; S335-T366 VanDerWaalsContact CA-O 3.32Å; S335-T366 WeakPolarHBondContact CA-O 3.32Å
336	I	93.9	Very high	85.5	Confident	19 Å²	19	83 Å²	83	10%	0.097	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	119.7	-167.3	-60.7	171.9	0	0	0	108.5	L338 L348 T366 F367 I368 Y445	I336-L338 HydrophobicContact CG2-CD2 4.21Å; I336-L338 HydrophobicContact CG2-CG 4.47Å; I336-L348 HydrophobicContact CD1-CD2 3.57Å; I336-T366 PolarHBondContact N-O 2.86Å; I336-F367 HydrophobicContact CB-CD1 3.88Å; I336-F367 HydrophobicContact CB-CE1 4.18Å; I336-F367 HydrophobicContact CD1-CD1 4.21Å; I336-F367 HydrophobicContact CD1-CE1 3.7Å; I336-F367 HydrophobicContact CD1-CZ 3.98Å; I336-F367 HydrophobicContact CG2-CD1 3.87Å; I336-F367 HydrophobicContact CG2-CE1 3.99Å; I336-F367 CarbonylContact O-C 3.11Å; I336-F367 WeakPolarHBondContact O-CA 3.3Å; I336-I368 PolarHBondContact O-N 2.9Å; I336-Y445 HydrophobicContact CD1-CE1 4.07Å; I336-Y445 HydrophobicContact CG2-CE2 3.85Å
337	Q	93	Very high	85.6	Confident	157 Å²	157	85.7 Å²	85.7	73%	0.734	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	114.6	173.1	-68.5	-177	-3.3	0	0	109.8	I368	Q337-I368 HydrophobicContact CG-CB 4.35Å; Q337-I368 HydrophobicContact CG-CD1 4.16Å
338	L	92.3	Very high	86	Confident	10 Å²	10	81.5 Å²	81.5	5%	0.052	44%	0.443	C	S	.	.			trans	-85.1	153.8	-179.2	-64.7	164.7	0	0	0	111	I336 F367 I368 M369 L376 Y445 V447	I336-L338 HydrophobicContact CG2-CD2 4.21Å; I336-L338 HydrophobicContact CG2-CG 4.47Å; L338-F367 HydrophobicContact CD1-CB 4.14Å; L338-F367 HydrophobicContact CD1-CD1 3.8Å; L338-F367 HydrophobicContact CD1-CG 4.38Å; L338-F367 HydrophobicContact CD2-CD1 4.15Å; L338-F367 HydrophobicContact CD2-CE1 4.44Å; L338-F367 HydrophobicContact CG-CD1 4.09Å; L338-I368 PolarHBondContact N-O 2.84Å; L338-M369 HydrophobicContact CD1-SD 3.47Å; L338-M369 WeakPolarHBondContact CD1-SD 3.45Å; L338-L376 HydrophobicContact CD1-CD1 3.94Å; L338-L376 HydrophobicContact CD1-CD2 4.49Å; L338-Y445 HydrophobicContact CD2-CD2 3.57Å; L338-Y445 HydrophobicContact CD2-CE2 3.69Å; L338-V447 HydrophobicContact CB-CG1 4.01Å; L338-V447 HydrophobicContact CD1-CG1 4.13Å; L338-V447 HydrophobicContact CD2-CG1 4.45Å; L338-V447 HydrophobicContact CG-CG1 4.43Å
339	K	90.5	Very high	86.2	Confident	145 Å²	145	81.9 Å²	81.9	63%	0.63	44%	0.438	S	S	*	.			trans	-113.4	159.8	-179.4	-61.3	175.3	-174	168.3	0	110.7	V341 Q345 V447	K339-V341 VanDerWaalsContact C-N 3.25Å; K339-V341 HydrophobicContact CB-CG2 4Å; K339-V341 PolarHBondContact O-N 3.42Å; K339-Q345 PolarHBondContact O-NE2 3.05Å; K339-V447 WeakPolarHBondContact O-CG2 3.39Å
340	E	87.6	Confident	86.6	Confident	150 Å²	150	76.7 Å²	76.7	70%	0.701	41%	0.414	S	S	*	.	S	Bend	trans	-83.4	72.7	172.4	-172.1	161.5	-148.5	0	0	109.7	P370 L374	E340-P370 HydrophobicContact CB-CG 4.4Å; E340-L374 HydrophobicContact CB-CD1 4.33Å; E340-L374 HydrophobicContact CG-CD1 4.03Å
341	V	85.6	Confident	86.8	Confident	86 Å²	86	71.8 Å²	71.8	52%	0.521	39%	0.392	S	S	.	.			trans	-141.5	131.2	-178.6	-174.7	0	0	0	0	108.7	K339 Q345	K339-V341 VanDerWaalsContact C-N 3.25Å; K339-V341 HydrophobicContact CB-CG2 4Å; K339-V341 PolarHBondContact O-N 3.42Å; V341-Q345 PolarHBondContact O-NE2 3.04Å
342	Q	78.6	Confident	86.6	Confident	173 Å²	173	68 Å²	68	81%	0.808	37%	0.37	S	S	*	.	S	Bend	trans	-70.5	153.3	177	-70.8	179.5	-33.8	0	0	112
343	G	83.4	Confident	86.3	Confident	45 Å²	45	70 Å²	70	46%	0.464	38%	0.376	S	S	.	.	S	Bend	trans	88.4	179.6	-178.1	0	0	0	0	0	113.9	Q345 S446	G343-Q345 PolarHBondContact O-N 2.85Å; G343-S446 WeakPolarHBondContact O-CB 3.29Å
344	V	88.8	Confident	85.2	Confident	79 Å²	79	68.9 Å²	68.9	48%	0.479	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	126.9	-178.5	-179.8	0	0	0	0	110.4	G346 H444	V344-G346 WeakPolarHBondContact CG1-O 3.36Å; V344-H444 HydrophobicContact CG1-CB 3.94Å; V344-H444 HydrophobicContact CG2-CB 4.17Å
345	Q	91.1	Very high	84.2	Confident	53 Å²	53	67.3 Å²	67.3	25%	0.248	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	-16	-180	-61	-169.5	11.5	0	0	113.1	K339 V341 G343 Y445	K339-Q345 PolarHBondContact O-NE2 3.05Å; V341-Q345 PolarHBondContact O-NE2 3.04Å; G343-Q345 PolarHBondContact O-N 2.85Å; Q345-Y445 HydrophobicContact CB-CD2 4.15Å; Q345-Y445 HydrophobicContact CB-CE2 3.91Å; Q345-Y445 PolarHBondContact N-O 3.33Å
346	G	91.3	Very high	83.3	Confident	22 Å²	22	64.8 Å²	64.8	23%	0.227	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.3	-169.9	174.8	0	0	0	0	0	112.3	V344 Y445	V344-G346 WeakPolarHBondContact CG1-O 3.36Å; G346-Y445 WeakPolarHBondContact O-CD1 3.49Å; G346-Y445 PolarHBondContact O-N 2.61Å
347	T	91.4	Very high	82.3	Confident	58 Å²	58	64 Å²	64	36%	0.356	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	140.7	-178.3	44.3	0	0	0	0	111.7	Q442 V443 H444	T347-Q442 HydrophobicContact CG2-CG 3.9Å; T347-V443 CarbonylContact C-O 3.57Å; T347-V443 WeakPolarHBondContact CA-O 3.26Å; T347-H444 WeakPolarHBondContact CG2-CD2 3.39Å; T347-H444 WeakPolarHBondContact CG2-NE2 3.48Å
348	L	89.8	Confident	81.3	Confident	4 Å²	4	56.8 Å²	56.8	2%	0.021	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	143	151.9	-46.3	-175.3	0	0	0	107.6	I336 W365 F367 Q442 V443 Y445	I336-L348 HydrophobicContact CD1-CD2 3.57Å; L348-W365 HydrophobicContact CB-CZ2 4.24Å; L348-W365 HydrophobicContact CD1-CB 4.39Å; L348-W365 HydrophobicContact CD1-CD2 3.8Å; L348-W365 HydrophobicContact CD1-CE3 3.98Å; L348-W365 HydrophobicContact CD1-CG 3.99Å; L348-W365 HydrophobicContact CD1-CZ3 4.48Å; L348-W365 HydrophobicContact CD2-CB 4.33Å; L348-W365 HydrophobicContact CD2-CD2 4.29Å; L348-W365 HydrophobicContact CD2-CG 3.83Å; L348-W365 HydrophobicContact CG-CD2 4.44Å; L348-W365 HydrophobicContact CG-CG 4.44Å; L348-F367 HydrophobicContact CD1-CE2 4.23Å; L348-F367 HydrophobicContact CD1-CZ 3.99Å; L348-F367 HydrophobicContact CD2-CZ 3.81Å; L348-F367 HydrophobicContact CG-CZ 4.24Å; L348-Q442 WeakPolarHBondContact O-CA 3.29Å; L348-V443 HydrophobicContact CB-CB 4.15Å; L348-V443 HydrophobicContact CG-CB 4.49Å; L348-V443 PolarHBondContact N-O 2.79Å; L348-V443 PolarHBondContact O-N 2.63Å; L348-Y445 HydrophobicContact CD2-CD1 3.81Å; L348-Y445 HydrophobicContact CD2-CE1 3.92Å; L348-Y445 HydrophobicContact CG-CD1 4.08Å
349	Q	86.3	Confident	80.4	Confident	84 Å²	84	56.4 Å²	56.4	39%	0.393	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	144	171	-77.9	174.6	-17.1	0	0	108.5	F353 L441 Q442	Q349-F353 HydrophobicContact CB-CB 3.87Å; Q349-F353 HydrophobicContact CB-CG 4.22Å; Q349-F353 HydrophobicContact CG-CB 4.07Å; Q349-F353 HydrophobicContact CG-CD1 4.03Å; Q349-F353 HydrophobicContact CG-CD2 4.41Å; Q349-F353 HydrophobicContact CG-CG 3.89Å; Q349-F353 VanDerWaalsContact NE2-CD1 3.27Å; Q349-L441 WeakPolarHBondContact CA-O 3.06Å; Q349-Q442 HydrophobicContact CG-CB 4.23Å; Q349-Q442 HydrophobicContact CG-CG 4.17Å
350	T	82.8	Confident	79.6	Confident	5 Å²	5	54.2 Å²	54.2	3%	0.031	30%	0.3	C	S	.	.			trans	-64.2	155.4	165.6	49.8	0	0	0	0	110.5	F352 F353 Y357 G440 L441	T350-F352 PolarHBondContact O-N 2.87Å; T350-F353 PolarHBondContact O-N 2.03Å; T350-Y357 HydrophobicContact CG2-CD1 4.04Å; T350-Y357 HydrophobicContact CG2-CG 4.28Å; T350-G440 WeakPolarHBondContact OG1-CA 3.04Å; T350-L441 HydrophobicContact CG2-CB 3.85Å; T350-L441 HydrophobicContact CG2-CD1 4.35Å; T350-L441 HydrophobicContact CG2-CG 4.27Å; T350-L441 PolarHBondContact N-O 3.08Å; T350-L441 PolarHBondContact OG1-N 3.44Å
351	P	75.7	Confident	79.3	Confident	15 Å²	15	47.7 Å²	47.7	10%	0.097	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47	132.2	172	-28.5	35.1	0	0	0	111.6	C332 F353 T361 C363	C332-P351 HydrophobicContact CB-CG 3.92Å; P351-F353 VanDerWaalsContact C-N 3.27Å; P351-F353 PolarHBondContact O-N 3.46Å; P351-T361 HydrophobicContact CG-CG2 4.13Å; P351-C363 VanDerWaalsContact CD-SG 3.57Å
352	F	68.6	Low	79.5	Confident	53 Å²	53	48 Å²	48	23%	0.232	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	23	175.8	-48.1	-87	0	0	0	116.2	L299 Q330 T350 S355	L299-F352 HydrophobicContact CD1-CB 3.52Å; L299-F352 HydrophobicContact CD1-CD1 4.19Å; L299-F352 HydrophobicContact CD1-CD2 3.5Å; L299-F352 HydrophobicContact CD1-CE2 4.28Å; L299-F352 HydrophobicContact CD1-CG 3.46Å; L299-F352 VanDerWaalsContact CD1-CG 3.46Å; L299-F352 HydrophobicContact CD2-CD1 4.4Å; L299-F352 HydrophobicContact CD2-CD2 4.03Å; L299-F352 HydrophobicContact CD2-CE1 4.33Å; L299-F352 HydrophobicContact CD2-CE2 3.95Å; L299-F352 HydrophobicContact CD2-CG 4.27Å; L299-F352 HydrophobicContact CD2-CZ 4.11Å; L299-F352 HydrophobicContact CG-CD2 4.35Å; Q330-F352 HydrophobicContact CG-CZ 4.46Å; T350-F352 PolarHBondContact O-N 2.87Å; F352-S355 VanDerWaalsContact O-CB 3.3Å; F352-S355 WeakPolarHBondContact O-CB 3.36Å; F352-S355 PolarHBondContact O-N 2.96Å
353	F	72	Confident	80	Confident	67 Å²	67	39.7 Å²	39.7	29%	0.294	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.9	138.3	167.2	180	-85.4	0	0	0	112.1	Q349 T350 P351 Q442	Q349-F353 HydrophobicContact CB-CB 3.87Å; Q349-F353 HydrophobicContact CB-CG 4.22Å; Q349-F353 HydrophobicContact CG-CB 4.07Å; Q349-F353 HydrophobicContact CG-CD1 4.03Å; Q349-F353 HydrophobicContact CG-CD2 4.41Å; Q349-F353 HydrophobicContact CG-CG 3.89Å; Q349-F353 VanDerWaalsContact NE2-CD1 3.27Å; T350-F353 PolarHBondContact O-N 2.03Å; P351-F353 VanDerWaalsContact C-N 3.27Å; P351-F353 PolarHBondContact O-N 3.46Å; F353-Q442 HydrophobicContact CD2-CB 4.14Å; F353-Q442 HydrophobicContact CE1-CB 4.48Å; F353-Q442 HydrophobicContact CE2-CB 3.58Å; F353-Q442 HydrophobicContact CZ-CB 3.78Å; F353-Q442 VanDerWaalsContact CZ-OE1 3.3Å
354	P	66.6	Low	80.4	Confident	90 Å²	90	39.2 Å²	39.2	58%	0.584	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	cis	-81.7	-2.6	5.7	33.6	-37.3	0	0	0	115.2	G440	P354-G440 PolarHBondContact O-N 3.44Å
355	S	67	Low	80.6	Confident	17 Å²	17	36.1 Å²	36.1	12%	0.119	20%	0.198	C	C	.	.	S	Bend	trans	-70.5	168.3	-175.6	-61.8	0	0	0	0	113.3	R297 F352 Y357 G440	R297-S355 WeakPolarHBondContact CB-OG 3.4Å; F352-S355 VanDerWaalsContact O-CB 3.3Å; F352-S355 WeakPolarHBondContact O-CB 3.36Å; F352-S355 PolarHBondContact O-N 2.96Å; S355-Y357 PolarHBondContact O-N 2.87Å; S355-G440 VanDerWaalsContact O-CA 3.3Å; S355-G440 WeakPolarHBondContact O-CA 3.08Å; S355-G440 PolarHBondContact O-N 3.26Å
356	F	72.1	Confident	80.8	Confident	29 Å²	29	35.5 Å²	35.5	13%	0.127	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-61.7	127.6	-178.3	-76.3	-110.4	0	0	0	110.8	V296 R297 T437 G438 P439	V296-F356 HydrophobicContact CG1-CD2 4.13Å; V296-F356 HydrophobicContact CG1-CE2 4.14Å; R297-F356 PolarHBondContact O-N 2.86Å; F356-T437 WeakPolarHBondContact CD1-O 3.24Å; F356-T437 WeakPolarHBondContact CE1-O 3.17Å; F356-G438 WeakPolarHBondContact CD1-O 3.21Å; F356-P439 HydrophobicContact CE1-CG 4.17Å; F356-P439 HydrophobicContact CE2-CB 4.28Å; F356-P439 HydrophobicContact CE2-CG 3.97Å; F356-P439 HydrophobicContact CZ-CB 4.43Å; F356-P439 HydrophobicContact CZ-CG 3.7Å
357	Y	73.9	Confident	80.9	Confident	1 Å²	1	34.4 Å²	34.4	0%	0.004	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-74.2	153.5	176.7	60	-91.9	0	0	0	110.9	T350 S355 Q396 M430 T437 G438 L441	T350-Y357 HydrophobicContact CG2-CD1 4.04Å; T350-Y357 HydrophobicContact CG2-CG 4.28Å; S355-Y357 PolarHBondContact O-N 2.87Å; Y357-Q396 PolarHBondContact OH-O 2.84Å; Y357-M430 HydrophobicContact CD2-CE 4.19Å; Y357-M430 HydrophobicContact CE1-CE 4.34Å; Y357-M430 HydrophobicContact CE2-CE 3.69Å; Y357-T437 HydrophobicContact CD2-CG2 3.72Å; Y357-T437 HydrophobicContact CE2-CG2 3.4Å; Y357-T437 WeakPolarHBondContact O-CB 3.44Å; Y357-T437 VanDerWaalsContact O-CG2 3.28Å; Y357-T437 WeakPolarHBondContact O-CG2 3.42Å; Y357-T437 PolarHBondContact O-OG1 2.89Å; Y357-G438 WeakPolarHBondContact CE1-O 3.29Å; Y357-G438 PolarHBondContact OH-N 3.28Å; Y357-L441 HydrophobicContact CE1-CD1 4.45Å; Y357-L441 HydrophobicContact CE1-CG 4.47Å
358	P	71.9	Confident	81	Confident	7 Å²	7	34.2 Å²	34.2	5%	0.045	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-64	151.7	179.6	-19.9	28.4	0	0	0	113.9	L299 T361	L299-P358 HydrophobicContact CB-CG 3.86Å; P358-T361 WeakPolarHBondContact CD-OG1 3.5Å; P358-T361 VanDerWaalsContact O-CB 3.31Å; P358-T361 WeakPolarHBondContact O-CB 3.47Å; P358-T361 PolarHBondContact O-N 3.22Å; P358-T361 PolarHBondContact O-OG1 3.07Å
359	P	72.6	Confident	81.1	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.006	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	159.9	160.2	-28.2	38.8	0	0	0	112.1	D273 I283 S301 T361 T437	D273-P359 HydrophobicContact CB-CB 4.42Å; D273-P359 HydrophobicContact CB-CG 3.85Å; D273-P359 WeakPolarHBondContact OD2-CB 3.44Å; I283-P359 HydrophobicContact CD1-CG 4.39Å; I283-P359 HydrophobicContact CG1-CG 3.92Å; I283-P359 HydrophobicContact CG2-CG 4.26Å; S301-P359 WeakPolarHBondContact CB-O 3.28Å; P359-T361 PolarHBondContact O-N 3.35Å; P359-T437 HydrophobicContact CG-CG2 4.37Å
360	N	75.5	Confident	81.2	Confident	100 Å²	100	33.7 Å²	33.7	54%	0.535	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	8.4	178.7	-49.4	-63	0	0	0	115.6	S301 N362	S301-N360 PolarHBondContact OG-ND2 3.31Å; S301-N360 VanDerWaalsContact OG-ND2 3.16Å; N360-N362 PolarHBondContact O-N 2.66Å
361	T	81	Confident	81.4	Confident	13 Å²	13	34.9 Å²	34.9	8%	0.08	20%	0.199	C	C	.	.			trans	-53.3	134	177	-72.7	0	0	0	0	109.8	P351 P358 P359 C363 M430 T431 S432	P351-T361 HydrophobicContact CG-CG2 4.13Å; P358-T361 WeakPolarHBondContact CD-OG1 3.5Å; P358-T361 VanDerWaalsContact O-CB 3.31Å; P358-T361 WeakPolarHBondContact O-CB 3.47Å; P358-T361 PolarHBondContact O-N 3.22Å; P358-T361 PolarHBondContact O-OG1 3.07Å; P359-T361 PolarHBondContact O-N 3.35Å; T361-C363 WeakPolarHBondContact CG2-SG 3.43Å; T361-M430 HydrophobicContact CG2-SD 4.41Å; T361-T431 CarbonylContact O-C 3.44Å; T361-T431 VanDerWaalsContact O-CA 3.27Å; T361-T431 WeakPolarHBondContact O-CA 3.21Å; T361-S432 PolarHBondContact O-N 2.81Å
362	N	88.1	Confident	81.8	Confident	91 Å²	91	38.6 Å²	38.6	49%	0.487	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	103.6	176.3	-179.8	0.8	0	0	0	108.9	C332 N360 V429 M430 T431	C332-N362 PolarHBondContact SG-O 2.86Å; N360-N362 PolarHBondContact O-N 2.66Å; N362-V429 WeakPolarHBondContact OD1-CG1 3.26Å; N362-M430 CarbonylContact C-O 3.46Å; N362-M430 WeakPolarHBondContact CA-O 3.26Å; N362-T431 HydrophobicContact CB-CG2 3.93Å
363	C	89.6	Confident	82.7	Confident	0 Å²	0	39 Å²	39	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	137.9	179.1	-58	0	0	0	0	110.5	C332 P351 T361 W365 V429 M430	C332-C363 HydrophobicContact CB-CB 3.65Å; C332-C363 WeakPolarHBondContact CB-SG 3.4Å; C332-C363 CarbonylContact O-C 3.48Å; C332-C363 VanDerWaalsContact O-CA 3.3Å; C332-C363 WeakPolarHBondContact O-CA 3.37Å; C332-C363 WeakPolarHBondContact SG-CA 3.23Å; C332-C363 WeakPolarHBondContact SG-CB 3.34Å; C332-C363 CovalentContact SG-SG 2.04Å; C332-C363 PolarHBondContact SG-SG 2.96Å; P351-C363 VanDerWaalsContact CD-SG 3.57Å; T361-C363 WeakPolarHBondContact CG2-SG 3.43Å; C363-W365 HydrophobicContact CB-CD2 4.49Å; C363-W365 HydrophobicContact CB-CE3 4.27Å; C363-W365 HydrophobicContact CB-CH2 3.35Å; C363-W365 HydrophobicContact CB-CZ2 3.57Å; C363-W365 HydrophobicContact CB-CZ3 3.73Å; C363-V429 CarbonylContact O-C 3.52Å; C363-V429 VanDerWaalsContact O-CA 3.24Å; C363-V429 WeakPolarHBondContact O-CA 3.35Å; C363-M430 PolarHBondContact N-O 3.06Å; C363-M430 PolarHBondContact O-N 3.42Å
364	T	92.8	Very high	83.5	Confident	35 Å²	35	36.7 Å²	36.7	22%	0.215	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	107.5	-177.3	-66.2	0	0	0	0	110.3	C332 I333 S334 V429	C332-T364 PolarHBondContact O-N 2.77Å; I333-T364 WeakPolarHBondContact CA-O 3.5Å; S334-T364 PolarHBondContact N-O 3.07Å; T364-V429 HydrophobicContact CG2-CG2 4.2Å
365	W	93.5	Very high	84.7	Confident	13 Å²	13	32.4 Å²	32.4	5%	0.049	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	122.2	176.2	-56.8	-82.5	0	0	0	109.7	S334 L348 C363 F367 W399 T427 V428 M430	S334-W365 VanDerWaalsContact OG-CD1 3.29Å; L348-W365 HydrophobicContact CB-CZ2 4.24Å; L348-W365 HydrophobicContact CD1-CB 4.39Å; L348-W365 HydrophobicContact CD1-CD2 3.8Å; L348-W365 HydrophobicContact CD1-CE3 3.98Å; L348-W365 HydrophobicContact CD1-CG 3.99Å; L348-W365 HydrophobicContact CD1-CZ3 4.48Å; L348-W365 HydrophobicContact CD2-CB 4.33Å; L348-W365 HydrophobicContact CD2-CD2 4.29Å; L348-W365 HydrophobicContact CD2-CG 3.83Å; L348-W365 HydrophobicContact CG-CD2 4.44Å; L348-W365 HydrophobicContact CG-CG 4.44Å; C363-W365 HydrophobicContact CB-CD2 4.49Å; C363-W365 HydrophobicContact CB-CE3 4.27Å; C363-W365 HydrophobicContact CB-CH2 3.35Å; C363-W365 HydrophobicContact CB-CZ2 3.57Å; C363-W365 HydrophobicContact CB-CZ3 3.73Å; W365-F367 HydrophobicContact CB-CE2 4.03Å; W365-W399 HydrophobicContact CE3-CZ3 4.48Å; W365-W399 HydrophobicContact CH2-CH2 4.27Å; W365-W399 HydrophobicContact CH2-CZ3 4.47Å; W365-W399 HydrophobicContact CZ3-CH2 4.02Å; W365-W399 AromaticContact CZ3-CZ3 3.77Å; W365-W399 HydrophobicContact CZ3-CZ3 3.77Å; W365-T427 WeakPolarHBondContact O-CA 3.28Å; W365-V428 HydrophobicContact CB-CB 4.49Å; W365-V428 HydrophobicContact CE3-CB 4.48Å; W365-V428 HydrophobicContact CE3-CG1 4.06Å; W365-V428 PolarHBondContact N-O 3.46Å; W365-V428 PolarHBondContact O-N 3.5Å; W365-M430 HydrophobicContact CH2-CB 4.08Å; W365-M430 HydrophobicContact CZ3-CB 3.67Å
366	T	93.9	Very high	86	Confident	40 Å²	40	31.6 Å²	31.6	25%	0.245	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	114.7	174.9	-54.4	0	0	0	0	109.2	S334 S335 I336 T427	S334-T366 PolarHBondContact O-N 3.43Å; S335-T366 CarbonylContact C-O 3.46Å; S335-T366 VanDerWaalsContact CA-O 3.32Å; S335-T366 WeakPolarHBondContact CA-O 3.32Å; I336-T366 PolarHBondContact N-O 2.86Å; T366-T427 HydrophobicContact CG2-CG2 4.32Å
367	F	94.3	Very high	87	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	141.3	176.2	-69.1	-88.7	0	0	0	110.8	I336 L338 L348 W365 L376 L378 S425 T426 V428 Y445	I336-F367 HydrophobicContact CB-CD1 3.88Å; I336-F367 HydrophobicContact CB-CE1 4.18Å; I336-F367 HydrophobicContact CD1-CD1 4.21Å; I336-F367 HydrophobicContact CD1-CE1 3.7Å; I336-F367 HydrophobicContact CD1-CZ 3.98Å; I336-F367 HydrophobicContact CG2-CD1 3.87Å; I336-F367 HydrophobicContact CG2-CE1 3.99Å; I336-F367 CarbonylContact O-C 3.11Å; I336-F367 WeakPolarHBondContact O-CA 3.3Å; L338-F367 HydrophobicContact CD1-CB 4.14Å; L338-F367 HydrophobicContact CD1-CD1 3.8Å; L338-F367 HydrophobicContact CD1-CG 4.38Å; L338-F367 HydrophobicContact CD2-CD1 4.15Å; L338-F367 HydrophobicContact CD2-CE1 4.44Å; L338-F367 HydrophobicContact CG-CD1 4.09Å; L348-F367 HydrophobicContact CD1-CE2 4.23Å; L348-F367 HydrophobicContact CD1-CZ 3.99Å; L348-F367 HydrophobicContact CD2-CZ 3.81Å; L348-F367 HydrophobicContact CG-CZ 4.24Å; W365-F367 HydrophobicContact CB-CE2 4.03Å; F367-L376 HydrophobicContact CB-CD2 3.76Å; F367-L376 HydrophobicContact CD1-CD1 4.27Å; F367-L376 HydrophobicContact CD1-CD2 3.9Å; F367-L376 HydrophobicContact CD2-CD2 3.57Å; F367-L376 HydrophobicContact CE1-CD1 4.23Å; F367-L376 HydrophobicContact CE1-CD2 4.3Å; F367-L376 HydrophobicContact CE2-CD2 4.01Å; F367-L376 HydrophobicContact CG-CD2 3.47Å; F367-L376 VanDerWaalsContact CG-CD2 3.47Å; F367-L376 HydrophobicContact CZ-CD2 4.32Å; F367-L378 HydrophobicContact CE2-CD2 4.08Å; F367-L378 HydrophobicContact CZ-CD2 3.82Å; F367-S425 CarbonylContact O-C 3.53Å; F367-S425 WeakPolarHBondContact O-CA 3.4Å; F367-S425 WeakPolarHBondContact O-CB 3.36Å; F367-T426 HydrophobicContact CB-CG2 4.05Å; F367-T426 PolarHBondContact N-O 3.18Å; F367-T426 PolarHBondContact O-N 2.99Å; F367-V428 HydrophobicContact CD2-CG2 4.01Å; F367-V428 HydrophobicContact CE2-CB 4.3Å; F367-V428 HydrophobicContact CE2-CG2 3.83Å; F367-Y445 HydrophobicContact CE1-CD1 4.06Å; F367-Y445 AromaticContact CE1-CD2 3.97Å; F367-Y445 HydrophobicContact CE1-CD2 3.97Å; F367-Y445 HydrophobicContact CE1-CE1 4.47Å; F367-Y445 HydrophobicContact CE1-CE2 4.4Å; F367-Y445 AromaticContact CE1-CG 3.79Å; F367-Y445 HydrophobicContact CE1-CG 3.79Å; F367-Y445 HydrophobicContact CZ-CD1 4.27Å; F367-Y445 HydrophobicContact CZ-CG 4.23Å
368	I	93.2	Very high	87.9	Confident	54 Å²	54	30.2 Å²	30.2	28%	0.277	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	122.1	175.5	-57.7	172.7	0	0	0	107.9	I336 Q337 L338 N424	I336-I368 PolarHBondContact O-N 2.9Å; Q337-I368 HydrophobicContact CG-CB 4.35Å; Q337-I368 HydrophobicContact CG-CD1 4.16Å; L338-I368 PolarHBondContact N-O 2.84Å; I368-N424 WeakPolarHBondContact CA-O 3.49Å
369	M	91.7	Very high	88.9	Confident	17 Å²	17	33.4 Å²	33.4	8%	0.084	21%	0.21	C	C	.	.			trans	-86.6	144.1	-175	-63.8	-59.6	-75	0	0	112.2	L338 L374 L376 L421 N424 V447	L338-M369 HydrophobicContact CD1-SD 3.47Å; L338-M369 WeakPolarHBondContact CD1-SD 3.45Å; M369-L374 HydrophobicContact CE-CB 3.87Å; M369-L374 WeakPolarHBondContact CE-O 3.46Å; M369-L376 HydrophobicContact CE-CB 4.46Å; M369-L376 HydrophobicContact SD-CB 4.15Å; M369-L421 HydrophobicContact CE-CD1 4.24Å; M369-L421 HydrophobicContact CG-CD1 3.45Å; M369-L421 VanDerWaalsContact CG-CD1 3.45Å; M369-L421 HydrophobicContact SD-CD1 3.65Å; M369-N424 PolarHBondContact N-O 2.97Å; M369-V447 HydrophobicContact CE-CG1 4.24Å
370	P	89.3	Confident	89.6	Confident	60 Å²	60	33.4 Å²	33.4	39%	0.39	21%	0.21	S	C	.	.	S	Bend	trans	-76.7	-25	176.7	30.9	-35.2	0	0	0	113.3	E340 L374	E340-P370 HydrophobicContact CB-CG 4.4Å; P370-L374 HydrophobicContact CG-CD1 3.79Å
371	G	86.3	Confident	89.5	Confident	29 Å²	29	34.5 Å²	34.5	30%	0.299	21%	0.211	S	C	.	.			trans	-162.2	156.7	-177.2	0	0	0	0	0	113.3	A373	G371-A373 VanDerWaalsContact C-N 3.34Å; G371-A373 PolarHBondContact O-N 3.38Å
372	A	84	Confident	89	Confident	94 Å²	94	34.9 Å²	34.9	78%	0.777	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-5.7	-173.4	0	0	0	0	0	115.1	L374	A372-L374 VanDerWaalsContact C-N 3.32Å
373	A	86.8	Confident	88.6	Confident	62 Å²	62	30.7 Å²	30.7	51%	0.512	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	1.5	175	0	0	0	0	0	113.2	G371 L450	G371-A373 VanDerWaalsContact C-N 3.34Å; G371-A373 PolarHBondContact O-N 3.38Å; A373-L450 WeakPolarHBondContact O-CB 3.4Å; A373-L450 WeakPolarHBondContact O-CG 3.31Å; A373-L450 PolarHBondContact O-N 2.96Å
374	L	89.7	Confident	88.3	Confident	17 Å²	17	34.3 Å²	34.3	9%	0.089	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	141.7	-172	-64.3	164.9	0	0	0	111.1	E340 M369 P370 A372 F448	E340-L374 HydrophobicContact CB-CD1 4.33Å; E340-L374 HydrophobicContact CG-CD1 4.03Å; M369-L374 HydrophobicContact CE-CB 3.87Å; M369-L374 WeakPolarHBondContact CE-O 3.46Å; P370-L374 HydrophobicContact CG-CD1 3.79Å; A372-L374 VanDerWaalsContact C-N 3.32Å; L374-F448 CarbonylContact C-O 3.54Å; L374-F448 VanDerWaalsContact CA-O 3.27Å; L374-F448 WeakPolarHBondContact CA-O 3.42Å; L374-F448 WeakPolarHBondContact CD2-O 3.42Å
375	G	91.7	Very high	88	Confident	0 Å²	0	33 Å²	33	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	162.4	168.2	0	0	0	0	0	111.7	L419 V447 F448	G375-L419 WeakPolarHBondContact CA-O 3.5Å; G375-V447 VanDerWaalsContact O-CA 3.3Å; G375-V447 WeakPolarHBondContact O-CA 3.47Å; G375-F448 PolarHBondContact N-O 3.33Å; G375-F448 PolarHBondContact O-N 3.16Å
376	L	93.6	Very high	87.5	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	124.4	173.4	166.8	59.3	0	0	0	109	L338 F367 M369 L378 L419 L421 T426 S446	L338-L376 HydrophobicContact CD1-CD1 3.94Å; L338-L376 HydrophobicContact CD1-CD2 4.49Å; F367-L376 HydrophobicContact CB-CD2 3.76Å; F367-L376 HydrophobicContact CD1-CD1 4.27Å; F367-L376 HydrophobicContact CD1-CD2 3.9Å; F367-L376 HydrophobicContact CD2-CD2 3.57Å; F367-L376 HydrophobicContact CE1-CD1 4.23Å; F367-L376 HydrophobicContact CE1-CD2 4.3Å; F367-L376 HydrophobicContact CE2-CD2 4.01Å; F367-L376 HydrophobicContact CG-CD2 3.47Å; F367-L376 VanDerWaalsContact CG-CD2 3.47Å; F367-L376 HydrophobicContact CZ-CD2 4.32Å; M369-L376 HydrophobicContact CE-CB 4.46Å; M369-L376 HydrophobicContact SD-CB 4.15Å; L376-L378 HydrophobicContact CD1-CD2 4.01Å; L376-L378 HydrophobicContact CD2-CD2 4.3Å; L376-L378 HydrophobicContact CG-CD2 4.13Å; L376-L378 HydrophobicContact CG-CG 4.31Å; L376-L419 HydrophobicContact CB-CB 4.29Å; L376-L419 HydrophobicContact CD2-CD1 4.09Å; L376-L419 HydrophobicContact CG-CD1 4.29Å; L376-L419 PolarHBondContact N-O 2.87Å; L376-L419 WeakPolarHBondContact O-CB 3.48Å; L376-L419 PolarHBondContact O-N 3.43Å; L376-L421 HydrophobicContact CB-CD1 4.17Å; L376-T426 HydrophobicContact CD2-CG2 3.87Å; L376-S446 WeakPolarHBondContact CD1-O 3.45Å
377	A	93.3	Very high	87.1	Confident	2 Å²	2	42.4 Å²	42.4	2%	0.017	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	135.2	170.8	0	0	0	0	0	110	R418 Y445 S446 F448	A377-R418 HydrophobicContact CB-CG 4.34Å; A377-Y445 WeakPolarHBondContact O-CA 3.48Å; A377-S446 PolarHBondContact N-O 3.11Å; A377-S446 PolarHBondContact O-N 3.01Å; A377-S446 VanDerWaalsContact O-N 3.11Å; A377-F448 HydrophobicContact CB-CD1 3.82Å; A377-F448 HydrophobicContact CB-CE1 4.21Å
378	L	94.2	Very high	86.4	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	107.2	175.3	-59.4	173.8	0	0	0	107.7	F367 L376 F380 I401 C416 E417 L419 V428 V443	F367-L378 HydrophobicContact CE2-CD2 4.08Å; F367-L378 HydrophobicContact CZ-CD2 3.82Å; L376-L378 HydrophobicContact CD1-CD2 4.01Å; L376-L378 HydrophobicContact CD2-CD2 4.3Å; L376-L378 HydrophobicContact CG-CD2 4.13Å; L376-L378 HydrophobicContact CG-CG 4.31Å; L378-F380 HydrophobicContact CB-CE2 3.78Å; L378-F380 HydrophobicContact CB-CZ 4.38Å; L378-F380 WeakPolarHBondContact O-CD2 3.33Å; L378-F380 VanDerWaalsContact O-CE2 3.31Å; L378-F380 WeakPolarHBondContact O-CE2 3.44Å; L378-I401 HydrophobicContact CD1-CD1 4.32Å; L378-C416 CarbonylContact O-C 3.52Å; L378-C416 VanDerWaalsContact O-CA 3.28Å; L378-C416 WeakPolarHBondContact O-CA 3.44Å; L378-E417 HydrophobicContact CB-CB 4.41Å; L378-E417 PolarHBondContact N-O 2.66Å; L378-E417 PolarHBondContact O-N 3.48Å; L378-L419 HydrophobicContact CD1-CD1 3.94Å; L378-V428 HydrophobicContact CD1-CG1 4.3Å; L378-V428 HydrophobicContact CD1-CG2 3.74Å; L378-V443 HydrophobicContact CB-CG1 4.04Å
379	E	91.7	Very high	85.6	Confident	74 Å²	74	43.5 Å²	43.5	35%	0.346	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	122.2	-171.8	177.6	169.2	-140.2	0	0	110.5	Y415 V443 H444	E379-Y415 CarbonylContact C-O 3.54Å; E379-Y415 WeakPolarHBondContact CA-O 2.96Å; E379-V443 CarbonylContact O-C 3.57Å; E379-V443 VanDerWaalsContact O-CA 3.31Å; E379-V443 WeakPolarHBondContact O-CA 3.33Å; E379-V443 WeakPolarHBondContact O-CG1 3.41Å; E379-H444 HydrophobicContact CB-CB 4.21Å; E379-H444 PolarHBondContact N-O 3.44Å; E379-H444 PolarHBondContact O-N 3.13Å
380	F	87.9	Confident	84.8	Confident	1 Å²	1	52 Å²	52	0%	0.004	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	125.6	-170	-65.2	-103.2	0	0	0	110	L378 Y383 L385 W399 P414 Y415 E417 V443	L378-F380 HydrophobicContact CB-CE2 3.78Å; L378-F380 HydrophobicContact CB-CZ 4.38Å; L378-F380 WeakPolarHBondContact O-CD2 3.33Å; L378-F380 VanDerWaalsContact O-CE2 3.31Å; L378-F380 WeakPolarHBondContact O-CE2 3.44Å; F380-Y383 WeakPolarHBondContact CB-O 3.37Å; F380-Y383 AromaticContact CD1-CD1 3.61Å; F380-Y383 HydrophobicContact CD1-CD1 3.61Å; F380-Y383 HydrophobicContact CD1-CE1 4.23Å; F380-Y383 HydrophobicContact CE1-CD1 4.13Å; F380-Y383 HydrophobicContact CE1-CE1 4.3Å; F380-Y383 HydrophobicContact CG-CD1 4.4Å; F380-L385 HydrophobicContact CE1-CD1 4.39Å; F380-L385 HydrophobicContact CE1-CD2 4.43Å; F380-L385 HydrophobicContact CE1-CG 4.49Å; F380-L385 HydrophobicContact CE2-CD1 3.96Å; F380-L385 HydrophobicContact CE2-CG 4.38Å; F380-L385 HydrophobicContact CZ-CD1 3.7Å; F380-L385 HydrophobicContact CZ-CG 4.19Å; F380-W399 HydrophobicContact CE1-CD2 4.46Å; F380-W399 HydrophobicContact CE1-CE3 4.41Å; F380-W399 AromaticContact CE1-CH2 3.77Å; F380-W399 HydrophobicContact CE1-CH2 3.77Å; F380-W399 AromaticContact CE1-CZ2 3.8Å; F380-W399 HydrophobicContact CE1-CZ2 3.8Å; F380-W399 HydrophobicContact CE1-CZ3 4.08Å; F380-W399 HydrophobicContact CZ-CE3 4.34Å; F380-W399 HydrophobicContact CZ-CH2 4.33Å; F380-W399 HydrophobicContact CZ-CZ3 4.18Å; F380-P414 WeakPolarHBondContact O-CA 3.45Å; F380-Y415 AromaticContact CD2-CD1 3.98Å; F380-Y415 HydrophobicContact CD2-CD1 3.98Å; F380-Y415 PolarHBondContact N-O 3.44Å; F380-Y415 PolarHBondContact O-N 2.85Å; F380-E417 HydrophobicContact CE2-CB 4.2Å; F380-V443 HydrophobicContact CD1-CB 4.33Å; F380-V443 HydrophobicContact CD1-CG1 3.92Å; F380-V443 HydrophobicContact CD1-CG2 3.52Å; F380-V443 HydrophobicContact CD2-CG1 3.91Å; F380-V443 HydrophobicContact CE1-CB 4.31Å; F380-V443 HydrophobicContact CE1-CG1 3.83Å; F380-V443 HydrophobicContact CE1-CG2 3.44Å; F380-V443 VanDerWaalsContact CE1-CG2 3.44Å; F380-V443 HydrophobicContact CE2-CG1 3.8Å; F380-V443 HydrophobicContact CG-CG1 3.96Å; F380-V443 HydrophobicContact CG-CG2 4.3Å; F380-V443 HydrophobicContact CZ-CG1 3.75Å; F380-V443 HydrophobicContact CZ-CG2 4.16Å
381	E	73.1	Confident	84.1	Confident	122 Å²	122	57 Å²	57	57%	0.57	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	114.8	176.5	-67.1	175.1	169	0	0	110	Y383 H444	E381-Y383 VanDerWaalsContact C-N 3.3Å; E381-Y383 PolarHBondContact O-N 2.98Å; E381-H444 IonicContact OE1-CE1 3.06Å; E381-H444 PolarHBondContact OE1-CE1 2.65Å; E381-H444 IonicContact OE1-ND1 2.68Å; E381-H444 PolarHBondContact OE1-ND1 2.78Å; E381-H444 IonicContact OE2-CE1 4Å
382	G	70.7	Confident	83.4	Confident	22 Å²	22	58.2 Å²	58.2	23%	0.227	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	29.9	177.2	0	0	0	0	0	115.1	R410 G411	G382-R410 WeakPolarHBondContact O-CA 3.35Å; G382-G411 CarbonylContact C-O 3.56Å; G382-G411 VanDerWaalsContact CA-O 3.23Å; G382-G411 WeakPolarHBondContact CA-O 3.36Å; G382-G411 PolarHBondContact O-N 2.03Å
383	Y	80.3	Confident	82.9	Confident	3 Å²	3	56.6 Å²	56.6	1%	0.012	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	105.3	-174.5	-172.3	-88.3	0	0	0	111.9	F380 E381 L385 Q396 W399 T409 R410 Y415 L441	F380-Y383 WeakPolarHBondContact CB-O 3.37Å; F380-Y383 AromaticContact CD1-CD1 3.61Å; F380-Y383 HydrophobicContact CD1-CD1 3.61Å; F380-Y383 HydrophobicContact CD1-CE1 4.23Å; F380-Y383 HydrophobicContact CE1-CD1 4.13Å; F380-Y383 HydrophobicContact CE1-CE1 4.3Å; F380-Y383 HydrophobicContact CG-CD1 4.4Å; E381-Y383 VanDerWaalsContact C-N 3.3Å; E381-Y383 PolarHBondContact O-N 2.98Å; Y383-L385 HydrophobicContact CD1-CD2 4.18Å; Y383-L385 HydrophobicContact CE1-CD2 3.67Å; Y383-Q396 HydrophobicContact CE2-CB 4.16Å; Y383-Q396 PolarHBondContact OH-O 2.96Å; Y383-W399 AromaticContact CE1-CE2 3.99Å; Y383-W399 HydrophobicContact CE1-CZ2 4.27Å; Y383-W399 AromaticContact CE1-NE1 3.4Å; Y383-W399 AromaticContact CZ-NE1 3.57Å; Y383-W399 PolarHBondContact OH-NE1 2.04Å; Y383-T409 CarbonylContact C-O 3.49Å; Y383-T409 WeakPolarHBondContact CA-O 3.09Å; Y383-R410 HydrophobicContact CD2-CG 3.91Å; Y383-Y415 WeakPolarHBondContact O-CB 3.45Å; Y383-L441 HydrophobicContact CD2-CD1 4.2Å; Y383-L441 HydrophobicContact CD2-CD2 3.43Å; Y383-L441 VanDerWaalsContact CD2-CD2 3.43Å; Y383-L441 HydrophobicContact CD2-CG 4.48Å; Y383-L441 HydrophobicContact CE1-CD1 4.12Å; Y383-L441 HydrophobicContact CE2-CD1 3.57Å; Y383-L441 HydrophobicContact CE2-CD2 3.6Å; Y383-L441 HydrophobicContact CE2-CG 4.25Å; Y383-L441 HydrophobicContact CG-CD2 4Å; Y383-L441 VanDerWaalsContact CZ-CD1 3.49Å
384	E	82.8	Confident	82.5	Confident	76 Å²	76	53.6 Å²	53.6	36%	0.355	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	147	-179.9	174.8	170.9	-157	0	0	111.7	G408 T409 Y415	E384-G408 CarbonylContact O-C 3.47Å; E384-G408 VanDerWaalsContact O-CA 3.29Å; E384-G408 WeakPolarHBondContact O-CA 3.09Å; E384-T409 PolarHBondContact N-O 2.87Å; E384-T409 PolarHBondContact O-N 2.82Å; E384-T409 PolarHBondContact O-OG1 3.13Å; E384-Y415 HydrophobicContact CB-CD2 4.19Å; E384-Y415 HydrophobicContact CB-CG 4.31Å; E384-Y415 HydrophobicContact CG-CD2 3.71Å; E384-Y415 HydrophobicContact CG-CE2 3.98Å; E384-Y415 HydrophobicContact CG-CG 4.28Å
385	L	87.1	Confident	81.6	Confident	7 Å²	7	54.8 Å²	54.8	4%	0.037	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	119.6	169.6	-59.4	-175.2	0	0	0	111.6	F380 Y383 W399 I401 L406 Y415 E417	F380-L385 HydrophobicContact CE1-CD1 4.39Å; F380-L385 HydrophobicContact CE1-CD2 4.43Å; F380-L385 HydrophobicContact CE1-CG 4.49Å; F380-L385 HydrophobicContact CE2-CD1 3.96Å; F380-L385 HydrophobicContact CE2-CG 4.38Å; F380-L385 HydrophobicContact CZ-CD1 3.7Å; F380-L385 HydrophobicContact CZ-CG 4.19Å; Y383-L385 HydrophobicContact CD1-CD2 4.18Å; Y383-L385 HydrophobicContact CE1-CD2 3.67Å; L385-W399 HydrophobicContact CD1-CB 4.39Å; L385-W399 HydrophobicContact CD1-CG 4.41Å; L385-W399 HydrophobicContact CD2-CB 4.24Å; L385-W399 VanDerWaalsContact CD2-CD1 3.5Å; L385-W399 HydrophobicContact CD2-CD2 4.28Å; L385-W399 HydrophobicContact CD2-CG 3.76Å; L385-I401 HydrophobicContact CD1-CD1 3.87Å; L385-L406 HydrophobicContact CB-CB 4.28Å; L385-L406 HydrophobicContact CB-CD1 4.04Å; L385-L406 HydrophobicContact CD1-CD1 3.78Å; L385-Y415 HydrophobicContact CB-CD1 4.33Å; L385-Y415 HydrophobicContact CB-CE1 3.62Å; L385-Y415 HydrophobicContact CD1-CE1 4.29Å; L385-Y415 HydrophobicContact CG-CD1 4.29Å; L385-Y415 HydrophobicContact CG-CE1 3.88Å; L385-Y415 PolarHBondContact O-OH 3.26Å; L385-E417 HydrophobicContact CD1-CB 4.29Å
386	S	83.1	Confident	80.8	Confident	44 Å²	44	56.5 Å²	56.5	31%	0.308	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	153.2	175.4	65.5	0	0	0	0	111.9	A388 L406 C407	S386-A388 PolarHBondContact O-N 2.83Å; S386-L406 CarbonylContact O-C 3.58Å; S386-L406 WeakPolarHBondContact O-CA 3.36Å; S386-L406 WeakPolarHBondContact O-CB 3.38Å; S386-C407 PolarHBondContact N-O 3.41Å; S386-C407 PolarHBondContact O-N 2.84Å; S386-C407 PolarHBondContact OG-O 2.84Å
387	R	84.6	Confident	80.3	Confident	206 Å²	206	56.5 Å²	56.5	78%	0.777	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	123	178.2	-70.5	-173.6	-176.9	-169	3.1	111.2	L406	R387-L406 HydrophobicContact CB-CD2 4.39Å; R387-L406 HydrophobicContact CG-CD2 3.76Å
388	A	79.3	Confident	80.2	Confident	16 Å²	16	57.9 Å²	57.9	13%	0.132	29%	0.293	C	S	.	.			trans	-105.7	135.8	-172.5	0	0	0	0	0	113.3	S386 R405 C407	S386-A388 PolarHBondContact O-N 2.83Å; A388-R405 HydrophobicContact CB-CG 4.48Å; A388-R405 PolarHBondContact N-O 2.81Å; A388-C407 HydrophobicContact CB-CB 4.07Å; A388-C407 WeakPolarHBondContact CB-SG 3.2Å
389	S	76.7	Confident	80	Confident	61 Å²	61	58 Å²	58	43%	0.427	29%	0.294	S	S	.	.			trans	-76	148	173	69	0	0	0	0	111.6	N391 E392 R405	S389-N391 PolarHBondContact O-N 2.8Å; S389-E392 WeakPolarHBondContact CB-OE2 3.35Å; S389-E392 PolarHBondContact N-OE2 2.97Å; S389-E392 WeakPolarHBondContact O-CB 3.33Å; S389-E392 PolarHBondContact O-N 2.85Å; S389-E392 VanDerWaalsContact OG-CB 3.25Å; S389-E392 WeakPolarHBondContact OG-CB 3.27Å; S389-E392 PolarHBondContact OG-OE2 2.8Å; S389-R405 PolarHBondContact O-NH1 3.12Å
390	Y	75.1	Confident	80.1	Confident	195 Å²	195	56.3 Å²	56.3	77%	0.765	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-12	-176.4	-78.7	-75.9	0	0	0	115.4
391	N	73.8	Confident	80.3	Confident	167 Å²	167	56.3 Å²	56.3	89%	0.893	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	5.4	179.5	-62.3	-13.6	0	0	0	113	S389	S389-N391 PolarHBondContact O-N 2.8Å
392	E	72.3	Confident	81	Confident	53 Å²	53	54 Å²	54	25%	0.248	28%	0.278	C	S	.	.	S	Bend	trans	-125.3	118.7	-165.9	172.5	172.8	-131.8	0	0	108.7	S389 R405 R733	S389-E392 WeakPolarHBondContact CB-OE2 3.35Å; S389-E392 PolarHBondContact N-OE2 2.97Å; S389-E392 WeakPolarHBondContact O-CB 3.33Å; S389-E392 PolarHBondContact O-N 2.85Å; S389-E392 VanDerWaalsContact OG-CB 3.25Å; S389-E392 WeakPolarHBondContact OG-CB 3.27Å; S389-E392 PolarHBondContact OG-OE2 2.8Å; E392-R405 PolarHBondContact O-NH1 3.23Å; E392-R405 PolarHBondContact O-NH2 2.79Å; E392-R733 IonicContact OE1-CZ 2.72Å; E392-R733 VanDerWaalsContact OE1-CZ 3.22Å; E392-R733 IonicContact OE1-NH1 3.93Å; E392-R733 PolarHBondContact OE1-NH1 3.21Å; E392-R733 IonicContact OE1-NH2 2.71Å; E392-R733 PolarHBondContact OE1-NH2 3.29Å
393	A	73.6	Confident	81.8	Confident	60 Å²	60	59.9 Å²	59.9	50%	0.496	30%	0.304	S	S	.	.			trans	-88.6	134.3	-171.3	0	0	0	0	0	112.1	T395 E433 V434	A393-T395 PolarHBondContact O-N 2.95Å; A393-E433 WeakPolarHBondContact CA-OE2 3.44Å; A393-V434 HydrophobicContact CB-CG1 4.46Å
394	C	78.5	Confident	82.3	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.315	C	S	.	.			trans	-84.5	103.1	-175.7	-57.2	0	0	0	0	112.2	Q396 G397 Q398 C407 E433	C394-Q396 PolarHBondContact O-N 3.3Å; C394-G397 WeakPolarHBondContact CB-O 3.5Å; C394-G397 PolarHBondContact O-N 2.9Å; C394-Q398 HydrophobicContact CB-CB 3.93Å; C394-C407 WeakPolarHBondContact CA-SG 3.27Å; C394-C407 HydrophobicContact CB-CB 3.66Å; C394-C407 WeakPolarHBondContact CB-SG 3.4Å; C394-C407 WeakPolarHBondContact SG-CA 3.44Å; C394-C407 WeakPolarHBondContact SG-CB 3.39Å; C394-C407 CovalentContact SG-SG 2.03Å; C394-C407 PolarHBondContact SG-SG 3.37Å; C394-E433 PolarHBondContact N-OE2 3.2Å
395	T	70.8	Confident	82.7	Confident	42 Å²	42	60.7 Å²	60.7	26%	0.258	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-16.9	-172.1	54	0	0	0	0	115.6	A393	A393-T395 PolarHBondContact O-N 2.95Å
396	Q	75.3	Confident	82.8	Confident	36 Å²	36	60.5 Å²	60.5	17%	0.168	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	20.5	175.4	-68.7	-69.3	-83.1	0	0	112.4	Y357 Y383 C394	Y357-Q396 PolarHBondContact OH-O 2.84Å; Y383-Q396 HydrophobicContact CE2-CB 4.16Å; Y383-Q396 PolarHBondContact OH-O 2.96Å; C394-Q396 PolarHBondContact O-N 3.3Å
397	G	82.8	Confident	83.1	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.292	C	S	.	.			trans	110	132.5	-178.4	0	0	0	0	0	113.1	C394 G408	C394-G397 WeakPolarHBondContact CB-O 3.5Å; C394-G397 PolarHBondContact O-N 2.9Å; G397-G408 PolarHBondContact O-N 3.46Å
398	Q	89.7	Confident	83	Confident	30 Å²	30	49.1 Å²	49.1	14%	0.14	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	140.9	166.2	178.6	-157.8	6.1	0	0	108.5	C394 V400 R405 L406 M430 T431 E433	C394-Q398 HydrophobicContact CB-CB 3.93Å; Q398-V400 HydrophobicContact CG-CG2 4.38Å; Q398-R405 HydrophobicContact CG-CG 3.92Å; Q398-R405 VanDerWaalsContact NE2-CD 3.35Å; Q398-L406 CarbonylContact C-O 3.58Å; Q398-L406 WeakPolarHBondContact CA-O 3.41Å; Q398-M430 CarbonylContact O-C 3.54Å; Q398-M430 WeakPolarHBondContact O-CA 3.49Å; Q398-T431 WeakPolarHBondContact CB-O 3.45Å; Q398-T431 VanDerWaalsContact CD-OG1 3.28Å; Q398-T431 PolarHBondContact N-O 2.94Å; Q398-T431 PolarHBondContact O-N 3.24Å; Q398-T431 PolarHBondContact OE1-OG1 2.84Å; Q398-E433 HydrophobicContact CB-CG 3.77Å; Q398-E433 HydrophobicContact CG-CG 4.42Å; Q398-E433 WeakPolarHBondContact CG-OE1 3.45Å; Q398-E433 PolarHBondContact OE1-OE1 3Å
399	W	91.9	Very high	82.8	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.008	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	136.2	169.5	-66.8	72.9	0	0	0	109.7	W365 F380 Y383 L385 I401 L406 V428 V429 M430 L441 V443	W365-W399 HydrophobicContact CE3-CZ3 4.48Å; W365-W399 HydrophobicContact CH2-CH2 4.27Å; W365-W399 HydrophobicContact CH2-CZ3 4.47Å; W365-W399 HydrophobicContact CZ3-CH2 4.02Å; W365-W399 AromaticContact CZ3-CZ3 3.77Å; W365-W399 HydrophobicContact CZ3-CZ3 3.77Å; F380-W399 HydrophobicContact CE1-CD2 4.46Å; F380-W399 HydrophobicContact CE1-CE3 4.41Å; F380-W399 AromaticContact CE1-CH2 3.77Å; F380-W399 HydrophobicContact CE1-CH2 3.77Å; F380-W399 AromaticContact CE1-CZ2 3.8Å; F380-W399 HydrophobicContact CE1-CZ2 3.8Å; F380-W399 HydrophobicContact CE1-CZ3 4.08Å; F380-W399 HydrophobicContact CZ-CE3 4.34Å; F380-W399 HydrophobicContact CZ-CH2 4.33Å; F380-W399 HydrophobicContact CZ-CZ3 4.18Å; Y383-W399 AromaticContact CE1-CE2 3.99Å; Y383-W399 HydrophobicContact CE1-CZ2 4.27Å; Y383-W399 AromaticContact CE1-NE1 3.4Å; Y383-W399 AromaticContact CZ-NE1 3.57Å; Y383-W399 PolarHBondContact OH-NE1 2.04Å; L385-W399 HydrophobicContact CD1-CB 4.39Å; L385-W399 HydrophobicContact CD1-CG 4.41Å; L385-W399 HydrophobicContact CD2-CB 4.24Å; L385-W399 VanDerWaalsContact CD2-CD1 3.5Å; L385-W399 HydrophobicContact CD2-CD2 4.28Å; L385-W399 HydrophobicContact CD2-CG 3.76Å; W399-I401 HydrophobicContact CB-CD1 4.35Å; W399-I401 HydrophobicContact CB-CG1 4.39Å; W399-I401 HydrophobicContact CE3-CD1 4.38Å; W399-L406 HydrophobicContact CB-CB 4.31Å; W399-L406 PolarHBondContact N-O 3.39Å; W399-L406 PolarHBondContact O-N 2.73Å; W399-V428 HydrophobicContact CE3-CG1 3.85Å; W399-V428 HydrophobicContact CZ3-CG1 3.84Å; W399-V429 CarbonylContact C-O 3.59Å; W399-V429 VanDerWaalsContact CA-O 3.31Å; W399-V429 WeakPolarHBondContact CA-O 3.49Å; W399-M430 HydrophobicContact CD2-CB 3.92Å; W399-M430 HydrophobicContact CD2-CG 4.03Å; W399-M430 HydrophobicContact CE3-CB 3.96Å; W399-M430 HydrophobicContact CE3-CG 4.5Å; W399-M430 HydrophobicContact CH2-CB 4.01Å; W399-M430 HydrophobicContact CH2-CG 4.13Å; W399-M430 HydrophobicContact CZ2-CB 3.97Å; W399-M430 HydrophobicContact CZ2-CG 3.61Å; W399-M430 HydrophobicContact CZ3-CB 4.01Å; W399-L441 HydrophobicContact CZ2-CD1 4.16Å; W399-V443 HydrophobicContact CH2-CG2 3.95Å
400	V	92.8	Very high	82.5	Confident	40 Å²	40	51.8 Å²	51.8	24%	0.242	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	111.1	173.7	-175.5	0	0	0	0	108.8	Q398 R404 V429	Q398-V400 HydrophobicContact CG-CG2 4.38Å; V400-R404 WeakPolarHBondContact CA-O 3.48Å; V400-V429 HydrophobicContact CB-CB 4.28Å; V400-V429 PolarHBondContact N-O 3.39Å; V400-V429 PolarHBondContact O-N 3.3Å
401	I	92.1	Very high	81.7	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	119.2	-172.5	-51.1	-177.8	0	0	0	108.2	L378 L385 W399 N403 R404 L406 E417 L419 V428	L378-I401 HydrophobicContact CD1-CD1 4.32Å; L385-I401 HydrophobicContact CD1-CD1 3.87Å; W399-I401 HydrophobicContact CB-CD1 4.35Å; W399-I401 HydrophobicContact CB-CG1 4.39Å; W399-I401 HydrophobicContact CE3-CD1 4.38Å; I401-N403 VanDerWaalsContact C-N 3.25Å; I401-N403 PolarHBondContact O-N 3.06Å; I401-R404 PolarHBondContact N-O 3.2Å; I401-R404 VanDerWaalsContact O-CB 3.27Å; I401-R404 WeakPolarHBondContact O-CB 3.48Å; I401-R404 PolarHBondContact O-N 3.47Å; I401-L406 HydrophobicContact CD1-CD1 4.22Å; I401-E417 HydrophobicContact CD1-CG 4.11Å; I401-L419 HydrophobicContact CG2-CD1 3.61Å; I401-L419 HydrophobicContact CG2-CD2 3.54Å; I401-L419 HydrophobicContact CG2-CG 4.23Å; I401-V428 HydrophobicContact CD1-CG1 4.24Å; I401-V428 HydrophobicContact CG1-CG1 4.17Å; I401-V428 HydrophobicContact CG2-CG2 4.33Å
402	Q	88.9	Confident	80.8	Confident	73 Å²	73	41.8 Å²	41.8	34%	0.341	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	50	43.1	-173	-53.5	176.9	-64.5	0	0	113.3	R404 L419 S420 L421	Q402-R404 PolarHBondContact O-N 3.02Å; Q402-R404 VanDerWaalsContact O-N 3.11Å; Q402-L419 HydrophobicContact CG-CD2 4.43Å; Q402-S420 PolarHBondContact NE2-O 3.04Å; Q402-L421 HydrophobicContact CG-CD2 4.5Å
403	N	87.3	Confident	80.4	Confident	146 Å²	146	43.6 Å²	43.6	78%	0.781	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.9	6.5	-172.9	-61	-12.8	0	0	0	116.2	I401	I401-N403 VanDerWaalsContact C-N 3.25Å; I401-N403 PolarHBondContact O-N 3.06Å
404	R	89.9	Confident	80.3	Confident	66 Å²	66	43.7 Å²	43.7	25%	0.249	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	126.6	168.7	-59.2	179.7	-82.8	141.6	-17	109.1	V400 I401 Q402 L406 E417	V400-R404 WeakPolarHBondContact CA-O 3.48Å; I401-R404 PolarHBondContact N-O 3.2Å; I401-R404 VanDerWaalsContact O-CB 3.27Å; I401-R404 WeakPolarHBondContact O-CB 3.48Å; I401-R404 PolarHBondContact O-N 3.47Å; Q402-R404 PolarHBondContact O-N 3.02Å; Q402-R404 VanDerWaalsContact O-N 3.11Å; R404-L406 HydrophobicContact CB-CD2 4.42Å; R404-E417 IonicContact CZ-OE1 2.81Å; R404-E417 IonicContact CZ-OE2 3.35Å; R404-E417 IonicContact NH1-OE1 3.86Å; R404-E417 PolarHBondContact NH1-OE1 3.35Å; R404-E417 IonicContact NH1-OE2 2.66Å; R404-E417 PolarHBondContact NH1-OE2 3.24Å; R404-E417 IonicContact NH2-OE1 3.25Å; R404-E417 PolarHBondContact NH2-OE1 2.03Å
405	R	90.6	Very high	80.6	Confident	30 Å²	30	44.7 Å²	44.7	11%	0.113	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	122.6	169.1	-177.7	169.6	172.7	-90.5	9	109.5	A388 S389 E392 Q398 E433	A388-R405 HydrophobicContact CB-CG 4.48Å; A388-R405 PolarHBondContact N-O 2.81Å; S389-R405 PolarHBondContact O-NH1 3.12Å; E392-R405 PolarHBondContact O-NH1 3.23Å; E392-R405 PolarHBondContact O-NH2 2.79Å; Q398-R405 HydrophobicContact CG-CG 3.92Å; Q398-R405 VanDerWaalsContact NE2-CD 3.35Å; R405-E433 IonicContact CZ-OE1 2.84Å; R405-E433 VanDerWaalsContact CZ-OE1 3.25Å; R405-E433 IonicContact CZ-OE2 2.7Å; R405-E433 IonicContact NE-OE1 2.71Å; R405-E433 PolarHBondContact NE-OE1 2.99Å; R405-E433 IonicContact NH2-OE1 2.67Å; R405-E433 PolarHBondContact NH2-OE1 2.73Å; R405-E433 IonicContact NH2-OE2 2.58Å; R405-E433 PolarHBondContact NH2-OE2 3.21Å
406	L	90.4	Very high	81.5	Confident	3 Å²	3	43 Å²	43	2%	0.016	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	147.6	179.5	-51.3	173.1	0	0	0	108.5	L385 S386 R387 Q398 W399 I401 R404 E417	L385-L406 HydrophobicContact CB-CB 4.28Å; L385-L406 HydrophobicContact CB-CD1 4.04Å; L385-L406 HydrophobicContact CD1-CD1 3.78Å; S386-L406 CarbonylContact O-C 3.58Å; S386-L406 WeakPolarHBondContact O-CA 3.36Å; S386-L406 WeakPolarHBondContact O-CB 3.38Å; R387-L406 HydrophobicContact CB-CD2 4.39Å; R387-L406 HydrophobicContact CG-CD2 3.76Å; Q398-L406 CarbonylContact C-O 3.58Å; Q398-L406 WeakPolarHBondContact CA-O 3.41Å; W399-L406 HydrophobicContact CB-CB 4.31Å; W399-L406 PolarHBondContact N-O 3.39Å; W399-L406 PolarHBondContact O-N 2.73Å; I401-L406 HydrophobicContact CD1-CD1 4.22Å; R404-L406 HydrophobicContact CB-CD2 4.42Å; L406-E417 WeakPolarHBondContact CD1-OE2 3.45Å
407	C	87.8	Confident	82.4	Confident	11 Å²	11	41.9 Å²	41.9	7%	0.074	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	135	162.7	-70.4	0	0	0	0	108.4	S386 A388 C394	S386-C407 PolarHBondContact N-O 3.41Å; S386-C407 PolarHBondContact O-N 2.84Å; S386-C407 PolarHBondContact OG-O 2.84Å; A388-C407 HydrophobicContact CB-CB 4.07Å; A388-C407 WeakPolarHBondContact CB-SG 3.2Å; C394-C407 WeakPolarHBondContact CA-SG 3.27Å; C394-C407 HydrophobicContact CB-CB 3.66Å; C394-C407 WeakPolarHBondContact CB-SG 3.4Å; C394-C407 WeakPolarHBondContact SG-CA 3.44Å; C394-C407 WeakPolarHBondContact SG-CB 3.39Å; C394-C407 CovalentContact SG-SG 2.03Å; C394-C407 PolarHBondContact SG-SG 3.37Å
408	G	83.6	Confident	82.7	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	148.7	168.3	0	0	0	0	0	112.2	E384 G397	E384-G408 CarbonylContact O-C 3.47Å; E384-G408 VanDerWaalsContact O-CA 3.29Å; E384-G408 WeakPolarHBondContact O-CA 3.09Å; G397-G408 PolarHBondContact O-N 3.46Å
409	T	74.3	Confident	82.8	Confident	27 Å²	27	43 Å²	43	17%	0.166	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	130.9	179	43.7	0	0	0	0	110	Y383 E384 E729	Y383-T409 CarbonylContact C-O 3.49Å; Y383-T409 WeakPolarHBondContact CA-O 3.09Å; E384-T409 PolarHBondContact N-O 2.87Å; E384-T409 PolarHBondContact O-N 2.82Å; E384-T409 PolarHBondContact O-OG1 3.13Å; T409-E729 HydrophobicContact CG2-CB 4.47Å; T409-E729 HydrophobicContact CG2-CG 3.87Å
410	R	70.7	Confident	82.6	Confident	107 Å²	107	46.7 Å²	46.7	40%	0.404	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	133.8	175.2	-75.7	-179.4	172	-90.5	-1.3	110.5	G382 Y383 P439 G440	G382-R410 WeakPolarHBondContact O-CA 3.35Å; Y383-R410 HydrophobicContact CD2-CG 3.91Å; R410-P439 VanDerWaalsContact NH2-C 3.33Å; R410-P439 PolarHBondContact NH2-O 3.23Å; R410-G440 PolarHBondContact NH2-O 3.07Å; R410-G440 VanDerWaalsContact NH2-O 3.09Å
411	G	59.8	Low	82.2	Confident	37 Å²	37	45.7 Å²	45.7	38%	0.381	24%	0.238	S	C	.	.			trans	-140.5	178.4	-178.3	0	0	0	0	0	111.6	G382	G382-G411 CarbonylContact C-O 3.56Å; G382-G411 VanDerWaalsContact CA-O 3.23Å; G382-G411 WeakPolarHBondContact CA-O 3.36Å; G382-G411 PolarHBondContact O-N 2.03Å
412	L	54.1	Low	81.6	Confident	115 Å²	115	54.4 Å²	54.4	60%	0.602	28%	0.284	S	S	*	.	S	Bend	trans	-95.2	-21.3	175.9	-63.5	174.4	0	0	0	113.1	M530	L412-M530 HydrophobicContact CB-CE 4.4Å; L412-M530 HydrophobicContact CB-SD 3.85Å; L412-M530 HydrophobicContact CD1-SD 4.1Å
413	Q	62.9	Low	81.2	Confident	90 Å²	90	55.1 Å²	55.1	42%	0.421	29%	0.293	S	S	.	.	S	Bend	trans	-89.1	149.2	175.6	-68.7	-176.7	-31.4	0	0	111
414	P	71.8	Confident	81.2	Confident	63 Å²	63	53.8 Å²	53.8	41%	0.409	29%	0.286	S	S	.	.			trans	-70.2	162.6	168.2	31.1	-34.1	0	0	0	111	F380 L465	F380-P414 WeakPolarHBondContact O-CA 3.45Å; P414-L465 HydrophobicContact CB-CD2 4.15Å; P414-L465 HydrophobicContact CG-CD1 4Å; P414-L465 HydrophobicContact CG-CD2 4.03Å
415	Y	84.9	Confident	81.2	Confident	20 Å²	20	52.9 Å²	52.9	8%	0.078	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	144.8	179.8	178.8	-93.7	0	0	0	111	E379 F380 Y383 E384 L385 E417 V462	E379-Y415 CarbonylContact C-O 3.54Å; E379-Y415 WeakPolarHBondContact CA-O 2.96Å; F380-Y415 AromaticContact CD2-CD1 3.98Å; F380-Y415 HydrophobicContact CD2-CD1 3.98Å; F380-Y415 PolarHBondContact N-O 3.44Å; F380-Y415 PolarHBondContact O-N 2.85Å; Y383-Y415 WeakPolarHBondContact O-CB 3.45Å; E384-Y415 HydrophobicContact CB-CD2 4.19Å; E384-Y415 HydrophobicContact CB-CG 4.31Å; E384-Y415 HydrophobicContact CG-CD2 3.71Å; E384-Y415 HydrophobicContact CG-CE2 3.98Å; E384-Y415 HydrophobicContact CG-CG 4.28Å; L385-Y415 HydrophobicContact CB-CD1 4.33Å; L385-Y415 HydrophobicContact CB-CE1 3.62Å; L385-Y415 HydrophobicContact CD1-CE1 4.29Å; L385-Y415 HydrophobicContact CG-CD1 4.29Å; L385-Y415 HydrophobicContact CG-CE1 3.88Å; L385-Y415 PolarHBondContact O-OH 3.26Å; Y415-E417 HydrophobicContact CE1-CB 4Å; Y415-V462 WeakPolarHBondContact CE2-O 3.48Å
416	C	90.6	Very high	81.3	Confident	7 Å²	7	52 Å²	52	5%	0.047	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	102.4	-178.4	-173.2	0	0	0	0	112.4	L378 R418 S463 G464 L465	L378-C416 CarbonylContact O-C 3.52Å; L378-C416 VanDerWaalsContact O-CA 3.28Å; L378-C416 WeakPolarHBondContact O-CA 3.44Å; C416-R418 PolarHBondContact O-N 2.83Å; C416-S463 PolarHBondContact N-O 3.36Å; C416-G464 WeakPolarHBondContact O-CA 3.3Å; C416-L465 HydrophobicContact CB-CD2 4.26Å
417	E	93	Very high	81.4	Confident	13 Å²	13	55.1 Å²	55.1	6%	0.061	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	113.6	172	175	67.1	-123.2	0	0	109.5	L378 F380 L385 I401 R404 L406 Y415 L419	L378-E417 HydrophobicContact CB-CB 4.41Å; L378-E417 PolarHBondContact N-O 2.66Å; L378-E417 PolarHBondContact O-N 3.48Å; F380-E417 HydrophobicContact CE2-CB 4.2Å; L385-E417 HydrophobicContact CD1-CB 4.29Å; I401-E417 HydrophobicContact CD1-CG 4.11Å; R404-E417 IonicContact CZ-OE1 2.81Å; R404-E417 IonicContact CZ-OE2 3.35Å; R404-E417 IonicContact NH1-OE1 3.86Å; R404-E417 PolarHBondContact NH1-OE1 3.35Å; R404-E417 IonicContact NH1-OE2 2.66Å; R404-E417 PolarHBondContact NH1-OE2 3.24Å; R404-E417 IonicContact NH2-OE1 3.25Å; R404-E417 PolarHBondContact NH2-OE1 2.03Å; L406-E417 WeakPolarHBondContact CD1-OE2 3.45Å; Y415-E417 HydrophobicContact CE1-CB 4Å; E417-L419 HydrophobicContact CG-CD2 3.71Å; E417-L419 HydrophobicContact CG-CG 4.31Å; E417-L419 WeakPolarHBondContact OE1-CD2 3.29Å
418	R	90.8	Very high	81.7	Confident	52 Å²	52	54.6 Å²	54.6	20%	0.196	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	118.5	-177.8	-74.7	-180	175.4	-106.5	0.2	111.9	A377 C416 F448 P453 G464 C466	A377-R418 HydrophobicContact CB-CG 4.34Å; C416-R418 PolarHBondContact O-N 2.83Å; R418-F448 HydrophobicContact CB-CE1 3.89Å; R418-F448 HydrophobicContact CB-CZ 3.87Å; R418-F448 HydrophobicContact CG-CE1 3.94Å; R418-F448 HydrophobicContact CG-CZ 4.24Å; R418-P453 PolarHBondContact NH1-O 2.97Å; R418-P453 PolarHBondContact NH2-O 3.3Å; R418-G464 WeakPolarHBondContact CD-O 3.33Å; R418-G464 PolarHBondContact NE-O 3.07Å; R418-C466 PolarHBondContact NH2-SG 2.84Å
419	L	91	Very high	82.1	Confident	0 Å²	0	56 Å²	56	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	109.8	-171.6	-53.8	179.8	0	0	0	111.3	G375 L376 L378 I401 Q402 E417 L421 T426	G375-L419 WeakPolarHBondContact CA-O 3.5Å; L376-L419 HydrophobicContact CB-CB 4.29Å; L376-L419 HydrophobicContact CD2-CD1 4.09Å; L376-L419 HydrophobicContact CG-CD1 4.29Å; L376-L419 PolarHBondContact N-O 2.87Å; L376-L419 WeakPolarHBondContact O-CB 3.48Å; L376-L419 PolarHBondContact O-N 3.43Å; L378-L419 HydrophobicContact CD1-CD1 3.94Å; I401-L419 HydrophobicContact CG2-CD1 3.61Å; I401-L419 HydrophobicContact CG2-CD2 3.54Å; I401-L419 HydrophobicContact CG2-CG 4.23Å; Q402-L419 HydrophobicContact CG-CD2 4.43Å; E417-L419 HydrophobicContact CG-CD2 3.71Å; E417-L419 HydrophobicContact CG-CG 4.31Å; E417-L419 WeakPolarHBondContact OE1-CD2 3.29Å; L419-L421 HydrophobicContact CB-CD2 3.95Å; L419-L421 HydrophobicContact CB-CG 4.36Å; L419-T426 HydrophobicContact CD1-CG2 4.46Å
420	S	88.1	Confident	82.9	Confident	81 Å²	81	54.7 Å²	54.7	57%	0.566	30%	0.304	S	S	*	.			trans	-79.9	125	162	53.4	0	0	0	0	109.4	Q402	Q402-S420 PolarHBondContact NE2-O 3.04Å
421	L	83.9	Confident	83.7	Confident	18 Å²	18	50.8 Å²	50.8	9%	0.094	29%	0.292	C	S	.	.			trans	-113.4	121.2	-168.1	-61.8	-179.1	0	0	0	111.5	M369 L376 Q402 L419 T423 T426	M369-L421 HydrophobicContact CE-CD1 4.24Å; M369-L421 HydrophobicContact CG-CD1 3.45Å; M369-L421 VanDerWaalsContact CG-CD1 3.45Å; M369-L421 HydrophobicContact SD-CD1 3.65Å; L376-L421 HydrophobicContact CB-CD1 4.17Å; Q402-L421 HydrophobicContact CG-CD2 4.5Å; L419-L421 HydrophobicContact CB-CD2 3.95Å; L419-L421 HydrophobicContact CB-CG 4.36Å; L421-T423 VanDerWaalsContact C-N 3.28Å; L421-T426 HydrophobicContact CD1-CG2 3.81Å; L421-T426 HydrophobicContact CD2-CG2 3.88Å
422	L	78.6	Confident	84.9	Confident	183 Å²	183	49.3 Å²	49.3	96%	0.958	28%	0.276	S	S	*	.	S	Bend	trans	-80.7	-11.5	174	-62.3	173.7	0	0	0	112.7
423	T	81.7	Confident	85.7	Confident	89 Å²	89	47.1 Å²	47.1	55%	0.546	26%	0.263	S	S	.	.	S	Bend	trans	-128	153.8	-175.2	42.6	0	0	0	0	110	L421 S425	L421-T423 VanDerWaalsContact C-N 3.28Å; T423-S425 PolarHBondContact O-N 3.12Å; T423-S425 VanDerWaalsContact O-N 3.12Å; T423-S425 PolarHBondContact OG1-O 2.94Å
424	N	85.9	Confident	86	Confident	118 Å²	118	44.6 Å²	44.6	63%	0.631	25%	0.253	S	S	*	.	S	Bend	trans	-71.5	1.2	176.6	67.8	-36.4	0	0	0	113.9	I368 M369	I368-N424 WeakPolarHBondContact CA-O 3.49Å; M369-N424 PolarHBondContact N-O 2.97Å
425	S	90.6	Very high	85.4	Confident	46 Å²	46	42.1 Å²	42.1	32%	0.322	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	159.2	170.6	62.2	0	0	0	0	111.9	F367 T423	F367-S425 CarbonylContact O-C 3.53Å; F367-S425 WeakPolarHBondContact O-CA 3.4Å; F367-S425 WeakPolarHBondContact O-CB 3.36Å; T423-S425 PolarHBondContact O-N 3.12Å; T423-S425 VanDerWaalsContact O-N 3.12Å; T423-S425 PolarHBondContact OG1-O 2.94Å
426	T	92.2	Very high	84.2	Confident	13 Å²	13	43.4 Å²	43.4	8%	0.08	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	154.3	171.4	-170.7	0	0	0	0	110.4	F367 L376 L419 L421	F367-T426 HydrophobicContact CB-CG2 4.05Å; F367-T426 PolarHBondContact N-O 3.18Å; F367-T426 PolarHBondContact O-N 2.99Å; L376-T426 HydrophobicContact CD2-CG2 3.87Å; L419-T426 HydrophobicContact CD1-CG2 4.46Å; L421-T426 HydrophobicContact CD1-CG2 3.81Å; L421-T426 HydrophobicContact CD2-CG2 3.88Å
427	T	93	Very high	83	Confident	67 Å²	67	43.3 Å²	43.3	41%	0.411	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	142.7	170.9	48.3	0	0	0	0	111	W365 T366	W365-T427 WeakPolarHBondContact O-CA 3.28Å; T366-T427 HydrophobicContact CG2-CG2 4.32Å
428	V	93.9	Very high	81.6	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	119.5	171.6	175.8	0	0	0	0	105.8	W365 F367 L378 W399 I401	W365-V428 HydrophobicContact CB-CB 4.49Å; W365-V428 HydrophobicContact CE3-CB 4.48Å; W365-V428 HydrophobicContact CE3-CG1 4.06Å; W365-V428 PolarHBondContact N-O 3.46Å; W365-V428 PolarHBondContact O-N 3.5Å; F367-V428 HydrophobicContact CD2-CG2 4.01Å; F367-V428 HydrophobicContact CE2-CB 4.3Å; F367-V428 HydrophobicContact CE2-CG2 3.83Å; L378-V428 HydrophobicContact CD1-CG1 4.3Å; L378-V428 HydrophobicContact CD1-CG2 3.74Å; W399-V428 HydrophobicContact CE3-CG1 3.85Å; W399-V428 HydrophobicContact CZ3-CG1 3.84Å; I401-V428 HydrophobicContact CD1-CG1 4.24Å; I401-V428 HydrophobicContact CG1-CG1 4.17Å; I401-V428 HydrophobicContact CG2-CG2 4.33Å
429	V	93	Very high	80.5	Confident	29 Å²	29	42.1 Å²	42.1	18%	0.176	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	134.8	178.2	-177.4	0	0	0	0	109	N362 C363 T364 W399 V400 T431	N362-V429 WeakPolarHBondContact OD1-CG1 3.26Å; C363-V429 CarbonylContact O-C 3.52Å; C363-V429 VanDerWaalsContact O-CA 3.24Å; C363-V429 WeakPolarHBondContact O-CA 3.35Å; T364-V429 HydrophobicContact CG2-CG2 4.2Å; W399-V429 CarbonylContact C-O 3.59Å; W399-V429 VanDerWaalsContact CA-O 3.31Å; W399-V429 WeakPolarHBondContact CA-O 3.49Å; V400-V429 HydrophobicContact CB-CB 4.28Å; V400-V429 PolarHBondContact N-O 3.39Å; V400-V429 PolarHBondContact O-N 3.3Å; V429-T431 HydrophobicContact CG1-CG2 4.25Å
430	M	91	Very high	79.7	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.6	170.7	178	-82.6	-177.5	0	0	109.2	Y357 T361 N362 C363 W365 Q398 W399 L441	Y357-M430 HydrophobicContact CD2-CE 4.19Å; Y357-M430 HydrophobicContact CE1-CE 4.34Å; Y357-M430 HydrophobicContact CE2-CE 3.69Å; T361-M430 HydrophobicContact CG2-SD 4.41Å; N362-M430 CarbonylContact C-O 3.46Å; N362-M430 WeakPolarHBondContact CA-O 3.26Å; C363-M430 PolarHBondContact N-O 3.06Å; C363-M430 PolarHBondContact O-N 3.42Å; W365-M430 HydrophobicContact CH2-CB 4.08Å; W365-M430 HydrophobicContact CZ3-CB 3.67Å; Q398-M430 CarbonylContact O-C 3.54Å; Q398-M430 WeakPolarHBondContact O-CA 3.49Å; W399-M430 HydrophobicContact CD2-CB 3.92Å; W399-M430 HydrophobicContact CD2-CG 4.03Å; W399-M430 HydrophobicContact CE3-CB 3.96Å; W399-M430 HydrophobicContact CE3-CG 4.5Å; W399-M430 HydrophobicContact CH2-CB 4.01Å; W399-M430 HydrophobicContact CH2-CG 4.13Å; W399-M430 HydrophobicContact CZ2-CB 3.97Å; W399-M430 HydrophobicContact CZ2-CG 3.61Å; W399-M430 HydrophobicContact CZ3-CB 4.01Å; M430-L441 HydrophobicContact CE-CD1 4.41Å
431	T	88.1	Confident	79.3	Confident	26 Å²	26	39.1 Å²	39.1	16%	0.16	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	128.3	-175.6	29.5	0	0	0	0	111.7	T361 N362 Q398 V429 E433	T361-T431 CarbonylContact O-C 3.44Å; T361-T431 VanDerWaalsContact O-CA 3.27Å; T361-T431 WeakPolarHBondContact O-CA 3.21Å; N362-T431 HydrophobicContact CB-CG2 3.93Å; Q398-T431 WeakPolarHBondContact CB-O 3.45Å; Q398-T431 VanDerWaalsContact CD-OG1 3.28Å; Q398-T431 PolarHBondContact N-O 2.94Å; Q398-T431 PolarHBondContact O-N 3.24Å; Q398-T431 PolarHBondContact OE1-OG1 2.84Å; V429-T431 HydrophobicContact CG1-CG2 4.25Å; T431-E433 PolarHBondContact O-N 3.34Å
432	S	83.3	Confident	79.4	Confident	6 Å²	6	40.3 Å²	40.3	4%	0.042	23%	0.23	C	C	.	.			trans	-83.5	95.9	173.2	-159.2	0	0	0	0	110.6	T361 V434	T361-S432 PolarHBondContact O-N 2.81Å; S432-V434 VanDerWaalsContact C-N 3.26Å; S432-V434 PolarHBondContact O-N 3.07Å; S432-V434 PolarHBondContact OG-O 2.72Å
433	E	72.6	Confident	80	Confident	68 Å²	68	31.7 Å²	31.7	32%	0.318	19%	0.185	S	C	.	.			trans	-71.2	-18.1	178.3	-71.5	-176.1	164.5	0	0	113.9	A393 C394 Q398 R405 T431	A393-E433 WeakPolarHBondContact CA-OE2 3.44Å; C394-E433 PolarHBondContact N-OE2 3.2Å; Q398-E433 HydrophobicContact CB-CG 3.77Å; Q398-E433 HydrophobicContact CG-CG 4.42Å; Q398-E433 WeakPolarHBondContact CG-OE1 3.45Å; Q398-E433 PolarHBondContact OE1-OE1 3Å; R405-E433 IonicContact CZ-OE1 2.84Å; R405-E433 VanDerWaalsContact CZ-OE1 3.25Å; R405-E433 IonicContact CZ-OE2 2.7Å; R405-E433 IonicContact NE-OE1 2.71Å; R405-E433 PolarHBondContact NE-OE1 2.99Å; R405-E433 IonicContact NH2-OE1 2.67Å; R405-E433 PolarHBondContact NH2-OE1 2.73Å; R405-E433 IonicContact NH2-OE2 2.58Å; R405-E433 PolarHBondContact NH2-OE2 3.21Å; T431-E433 PolarHBondContact O-N 3.34Å
434	V	67.6	Low	80.5	Confident	37 Å²	37	29 Å²	29	22%	0.224	17%	0.166	C	C	.	.	S	Bend	trans	-123.1	162.9	174.8	-54.9	0	0	0	0	110.8	A393 S432 L436	A393-V434 HydrophobicContact CB-CG1 4.46Å; S432-V434 VanDerWaalsContact C-N 3.26Å; S432-V434 PolarHBondContact O-N 3.07Å; S432-V434 PolarHBondContact OG-O 2.72Å; V434-L436 HydrophobicContact CG2-CB 4.43Å
435	S	60.3	Low	80.9	Confident	11 Å²	11	24.9 Å²	24.9	8%	0.077	14%	0.142	C	C	.	.	S	Bend	trans	-81.2	-22.4	177.2	-57.9	0	0	0	0	114.4	H280 L282 T437	H280-S435 VanDerWaalsContact O-CB 3.28Å; H280-S435 WeakPolarHBondContact O-CB 3.39Å; H280-S435 PolarHBondContact O-OG 2.65Å; L282-S435 CarbonylContact O-C 3.58Å; S435-T437 PolarHBondContact O-N 3.39Å
436	L	60.2	Low	81.1	Confident	48 Å²	48	23.6 Å²	23.6	25%	0.251	13%	0.133	S	C	.	.			trans	-74.1	93.6	177.1	-168.9	78.9	0	0	0	109.4	L282 V434	L282-L436 HydrophobicContact CD2-CD1 4.04Å; L282-L436 HydrophobicContact CG-CD1 4.29Å; L282-L436 WeakPolarHBondContact O-CA 3.49Å; L282-L436 PolarHBondContact O-N 2.84Å; V434-L436 HydrophobicContact CG2-CB 4.43Å
437	T	64.2	Low	81.1	Confident	5 Å²	5	23.6 Å²	23.6	3%	0.031	13%	0.133	C	C	.	.			trans	-87.4	151.3	-178.2	60	0	0	0	0	111.8	F356 Y357 P359 S435	F356-T437 WeakPolarHBondContact CD1-O 3.24Å; F356-T437 WeakPolarHBondContact CE1-O 3.17Å; Y357-T437 HydrophobicContact CD2-CG2 3.72Å; Y357-T437 HydrophobicContact CE2-CG2 3.4Å; Y357-T437 WeakPolarHBondContact O-CB 3.44Å; Y357-T437 VanDerWaalsContact O-CG2 3.28Å; Y357-T437 WeakPolarHBondContact O-CG2 3.42Å; Y357-T437 PolarHBondContact O-OG1 2.89Å; P359-T437 HydrophobicContact CG-CG2 4.37Å; S435-T437 PolarHBondContact O-N 3.39Å
438	G	63.3	Low	81	Confident	3 Å²	3	21.7 Å²	21.7	3%	0.031	12%	0.119	C	C	.	.			trans	-81.8	174.2	168.6	0	0	0	0	0	111.8	F356 Y357	F356-G438 WeakPolarHBondContact CD1-O 3.21Å; Y357-G438 WeakPolarHBondContact CE1-O 3.29Å; Y357-G438 PolarHBondContact OH-N 3.28Å
439	P	69.3	Low	80.8	Confident	37 Å²	37	25.2 Å²	25.2	24%	0.24	14%	0.138	C	C	.	.	S	Bend	trans	-52.5	168.2	159.5	-20.4	29.6	0	0	0	111.2	F356 R410	F356-P439 HydrophobicContact CE1-CG 4.17Å; F356-P439 HydrophobicContact CE2-CB 4.28Å; F356-P439 HydrophobicContact CE2-CG 3.97Å; F356-P439 HydrophobicContact CZ-CB 4.43Å; F356-P439 HydrophobicContact CZ-CG 3.7Å; R410-P439 VanDerWaalsContact NH2-C 3.33Å; R410-P439 PolarHBondContact NH2-O 3.23Å
440	G	73.4	Confident	80.6	Confident	8 Å²	8	26.8 Å²	26.8	8%	0.082	15%	0.145	C	C	.	.			trans	-53.5	149.8	178.5	0	0	0	0	0	112.9	T350 P354 S355 R410	T350-G440 WeakPolarHBondContact OG1-CA 3.04Å; P354-G440 PolarHBondContact O-N 3.44Å; S355-G440 VanDerWaalsContact O-CA 3.3Å; S355-G440 WeakPolarHBondContact O-CA 3.08Å; S355-G440 PolarHBondContact O-N 3.26Å; R410-G440 PolarHBondContact NH2-O 3.07Å; R410-G440 VanDerWaalsContact NH2-O 3.09Å
441	L	79.9	Confident	80.4	Confident	10 Å²	10	32.2 Å²	32.2	5%	0.052	18%	0.183	C	C	.	.			trans	-111.5	135.7	173.3	-57.2	172	0	0	0	109.3	Q349 T350 Y357 Y383 W399 M430	Q349-L441 WeakPolarHBondContact CA-O 3.06Å; T350-L441 HydrophobicContact CG2-CB 3.85Å; T350-L441 HydrophobicContact CG2-CD1 4.35Å; T350-L441 HydrophobicContact CG2-CG 4.27Å; T350-L441 PolarHBondContact N-O 3.08Å; T350-L441 PolarHBondContact OG1-N 3.44Å; Y357-L441 HydrophobicContact CE1-CD1 4.45Å; Y357-L441 HydrophobicContact CE1-CG 4.47Å; Y383-L441 HydrophobicContact CD2-CD1 4.2Å; Y383-L441 HydrophobicContact CD2-CD2 3.43Å; Y383-L441 VanDerWaalsContact CD2-CD2 3.43Å; Y383-L441 HydrophobicContact CD2-CG 4.48Å; Y383-L441 HydrophobicContact CE1-CD1 4.12Å; Y383-L441 HydrophobicContact CE2-CD1 3.57Å; Y383-L441 HydrophobicContact CE2-CD2 3.6Å; Y383-L441 HydrophobicContact CE2-CG 4.25Å; Y383-L441 HydrophobicContact CG-CD2 4Å; Y383-L441 VanDerWaalsContact CZ-CD1 3.49Å; W399-L441 HydrophobicContact CZ2-CD1 4.16Å; M430-L441 HydrophobicContact CE-CD1 4.41Å
442	Q	85.8	Confident	80.4	Confident	42 Å²	42	34.4 Å²	34.4	20%	0.196	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	137	169.9	176.5	163.8	-39.7	0	0	108.3	T347 L348 Q349 F353 H444	T347-Q442 HydrophobicContact CG2-CG 3.9Å; L348-Q442 WeakPolarHBondContact O-CA 3.29Å; Q349-Q442 HydrophobicContact CG-CB 4.23Å; Q349-Q442 HydrophobicContact CG-CG 4.17Å; F353-Q442 HydrophobicContact CD2-CB 4.14Å; F353-Q442 HydrophobicContact CE1-CB 4.48Å; F353-Q442 HydrophobicContact CE2-CB 3.58Å; F353-Q442 HydrophobicContact CZ-CB 3.78Å; F353-Q442 VanDerWaalsContact CZ-OE1 3.3Å; Q442-H444 PolarHBondContact NE2-CE1 3.43Å; Q442-H444 PolarHBondContact NE2-NE2 3.1Å
443	V	91.3	Very high	80.6	Confident	2 Å²	2	36 Å²	36	1%	0.012	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	115.6	-179.1	-168.2	0	0	0	0	108.1	T347 L348 L378 E379 F380 W399	T347-V443 CarbonylContact C-O 3.57Å; T347-V443 WeakPolarHBondContact CA-O 3.26Å; L348-V443 HydrophobicContact CB-CB 4.15Å; L348-V443 HydrophobicContact CG-CB 4.49Å; L348-V443 PolarHBondContact N-O 2.79Å; L348-V443 PolarHBondContact O-N 2.63Å; L378-V443 HydrophobicContact CB-CG1 4.04Å; E379-V443 CarbonylContact O-C 3.57Å; E379-V443 VanDerWaalsContact O-CA 3.31Å; E379-V443 WeakPolarHBondContact O-CA 3.33Å; E379-V443 WeakPolarHBondContact O-CG1 3.41Å; F380-V443 HydrophobicContact CD1-CB 4.33Å; F380-V443 HydrophobicContact CD1-CG1 3.92Å; F380-V443 HydrophobicContact CD1-CG2 3.52Å; F380-V443 HydrophobicContact CD2-CG1 3.91Å; F380-V443 HydrophobicContact CE1-CB 4.31Å; F380-V443 HydrophobicContact CE1-CG1 3.83Å; F380-V443 HydrophobicContact CE1-CG2 3.44Å; F380-V443 VanDerWaalsContact CE1-CG2 3.44Å; F380-V443 HydrophobicContact CE2-CG1 3.8Å; F380-V443 HydrophobicContact CG-CG1 3.96Å; F380-V443 HydrophobicContact CG-CG2 4.3Å; F380-V443 HydrophobicContact CZ-CG1 3.75Å; F380-V443 HydrophobicContact CZ-CG2 4.16Å; W399-V443 HydrophobicContact CH2-CG2 3.95Å
444	H	92.9	Very high	81.3	Confident	32 Å²	32	33 Å²	33	15%	0.148	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	139.4	175	-66.7	105.6	0	0	0	109.5	V344 T347 E379 E381 Q442	V344-H444 HydrophobicContact CG1-CB 3.94Å; V344-H444 HydrophobicContact CG2-CB 4.17Å; T347-H444 WeakPolarHBondContact CG2-CD2 3.39Å; T347-H444 WeakPolarHBondContact CG2-NE2 3.48Å; E379-H444 HydrophobicContact CB-CB 4.21Å; E379-H444 PolarHBondContact N-O 3.44Å; E379-H444 PolarHBondContact O-N 3.13Å; E381-H444 IonicContact OE1-CE1 3.06Å; E381-H444 PolarHBondContact OE1-CE1 2.65Å; E381-H444 IonicContact OE1-ND1 2.68Å; E381-H444 PolarHBondContact OE1-ND1 2.78Å; E381-H444 IonicContact OE2-CE1 4Å; Q442-H444 PolarHBondContact NE2-CE1 3.43Å; Q442-H444 PolarHBondContact NE2-NE2 3.1Å
445	Y	94.1	Very high	82.1	Confident	33 Å²	33	35.2 Å²	35.2	13%	0.129	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	139.5	177.4	65.2	-103.4	0	0	0	112.7	I336 L338 Q345 G346 L348 F367 A377	I336-Y445 HydrophobicContact CD1-CE1 4.07Å; I336-Y445 HydrophobicContact CG2-CE2 3.85Å; L338-Y445 HydrophobicContact CD2-CD2 3.57Å; L338-Y445 HydrophobicContact CD2-CE2 3.69Å; Q345-Y445 HydrophobicContact CB-CD2 4.15Å; Q345-Y445 HydrophobicContact CB-CE2 3.91Å; Q345-Y445 PolarHBondContact N-O 3.33Å; G346-Y445 WeakPolarHBondContact O-CD1 3.49Å; G346-Y445 PolarHBondContact O-N 2.61Å; L348-Y445 HydrophobicContact CD2-CD1 3.81Å; L348-Y445 HydrophobicContact CD2-CE1 3.92Å; L348-Y445 HydrophobicContact CG-CD1 4.08Å; F367-Y445 HydrophobicContact CE1-CD1 4.06Å; F367-Y445 AromaticContact CE1-CD2 3.97Å; F367-Y445 HydrophobicContact CE1-CD2 3.97Å; F367-Y445 HydrophobicContact CE1-CE1 4.47Å; F367-Y445 HydrophobicContact CE1-CE2 4.4Å; F367-Y445 AromaticContact CE1-CG 3.79Å; F367-Y445 HydrophobicContact CE1-CG 3.79Å; F367-Y445 HydrophobicContact CZ-CD1 4.27Å; F367-Y445 HydrophobicContact CZ-CG 4.23Å; A377-Y445 WeakPolarHBondContact O-CA 3.48Å
446	S	93.4	Very high	83.1	Confident	19 Å²	19	38.9 Å²	38.9	13%	0.133	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	169.8	-177.3	62.7	0	0	0	0	111.3	G343 L376 A377	G343-S446 WeakPolarHBondContact O-CB 3.29Å; L376-S446 WeakPolarHBondContact CD1-O 3.45Å; A377-S446 PolarHBondContact N-O 3.11Å; A377-S446 PolarHBondContact O-N 3.01Å; A377-S446 VanDerWaalsContact O-N 3.11Å
447	V	93.1	Very high	84.4	Confident	13 Å²	13	41.4 Å²	41.4	8%	0.079	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	144.3	170.8	-56	0	0	0	0	110.7	L338 K339 M369 G375	L338-V447 HydrophobicContact CB-CG1 4.01Å; L338-V447 HydrophobicContact CD1-CG1 4.13Å; L338-V447 HydrophobicContact CD2-CG1 4.45Å; L338-V447 HydrophobicContact CG-CG1 4.43Å; K339-V447 WeakPolarHBondContact O-CG2 3.39Å; M369-V447 HydrophobicContact CE-CG1 4.24Å; G375-V447 VanDerWaalsContact O-CA 3.3Å; G375-V447 WeakPolarHBondContact O-CA 3.47Å
448	F	91.1	Very high	85.5	Confident	26 Å²	26	43.7 Å²	43.7	11%	0.114	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	159.4	177.1	69.1	-90.8	0	0	0	111.1	L374 G375 A377 R418 L450 P453	L374-F448 CarbonylContact C-O 3.54Å; L374-F448 VanDerWaalsContact CA-O 3.27Å; L374-F448 WeakPolarHBondContact CA-O 3.42Å; L374-F448 WeakPolarHBondContact CD2-O 3.42Å; G375-F448 PolarHBondContact N-O 3.33Å; G375-F448 PolarHBondContact O-N 3.16Å; A377-F448 HydrophobicContact CB-CD1 3.82Å; A377-F448 HydrophobicContact CB-CE1 4.21Å; R418-F448 HydrophobicContact CB-CE1 3.89Å; R418-F448 HydrophobicContact CB-CZ 3.87Å; R418-F448 HydrophobicContact CG-CE1 3.94Å; R418-F448 HydrophobicContact CG-CZ 4.24Å; F448-L450 HydrophobicContact CE2-CD2 4.01Å; F448-L450 HydrophobicContact CZ-CD2 4.34Å; F448-P453 HydrophobicContact CD2-CB 3.8Å; F448-P453 HydrophobicContact CD2-CG 4.39Å; F448-P453 HydrophobicContact CE2-CB 4Å; F448-P453 HydrophobicContact CE2-CG 4.34Å
449	N	89.5	Confident	86.8	Confident	74 Å²	74	46.1 Å²	46.1	40%	0.396	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	128.8	178.2	-174.6	-17.2	0	0	0	110.2	S451 D452	N449-S451 PolarHBondContact O-N 3.18Å; N449-S451 WeakPolarHBondContact OD1-CB 3.19Å; N449-S451 PolarHBondContact OD1-N 3.21Å; N449-D452 CarbonylContact O-C 3.51Å; N449-D452 PolarHBondContact O-N 2.86Å; N449-D452 VanDerWaalsContact O-N 3.16Å; N449-D452 VanDerWaalsContact O-O 3.11Å
450	L	88.4	Confident	87.6	Confident	63 Å²	63	44.3 Å²	44.3	33%	0.33	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-22	179.4	-65.1	175.4	0	0	0	113.2	A373 F448	A373-L450 WeakPolarHBondContact O-CB 3.4Å; A373-L450 WeakPolarHBondContact O-CG 3.31Å; A373-L450 PolarHBondContact O-N 2.96Å; F448-L450 HydrophobicContact CE2-CD2 4.01Å; F448-L450 HydrophobicContact CZ-CD2 4.34Å
451	S	87.8	Confident	88.1	Confident	114 Å²	114	48.8 Å²	48.8	80%	0.797	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-21.9	175.5	-58.2	0	0	0	0	113.7	N449	N449-S451 PolarHBondContact O-N 3.18Å; N449-S451 WeakPolarHBondContact OD1-CB 3.19Å; N449-S451 PolarHBondContact OD1-N 3.21Å
452	D	87.3	Confident	87.9	Confident	72 Å²	72	51.5 Å²	51.5	39%	0.385	31%	0.308	S	S	.	.	B	Isolated β-bridge	trans	-146.4	87.7	178.6	-177.7	8	0	0	0	109.6	N449 P455	N449-D452 CarbonylContact O-C 3.51Å; N449-D452 PolarHBondContact O-N 2.86Å; N449-D452 VanDerWaalsContact O-N 3.16Å; N449-D452 VanDerWaalsContact O-O 3.11Å; D452-P455 WeakPolarHBondContact OD1-CA 3.44Å; D452-P455 WeakPolarHBondContact OD2-CA 3.26Å; D452-P455 WeakPolarHBondContact OD2-CB 3.09Å
453	P	86.9	Confident	87.6	Confident	38 Å²	38	49.9 Å²	49.9	25%	0.247	30%	0.301	C	S	.	.	S	Bend	trans	-75.4	-23.1	-175.7	-19.5	34.1	0	0	0	114.3	R418 F448 L459	R418-P453 PolarHBondContact NH1-O 2.97Å; R418-P453 PolarHBondContact NH2-O 3.3Å; F448-P453 HydrophobicContact CD2-CB 3.8Å; F448-P453 HydrophobicContact CD2-CG 4.39Å; F448-P453 HydrophobicContact CE2-CB 4Å; F448-P453 HydrophobicContact CE2-CG 4.34Å; P453-L459 HydrophobicContact CB-CD2 4.12Å; P453-L459 HydrophobicContact CG-CD2 4.33Å
454	C	87.9	Confident	87.4	Confident	7 Å²	7	50.2 Å²	50.2	5%	0.047	31%	0.306	C	S	.	.	S	Bend	trans	-140.2	78.6	-174.5	-72.1	0	0	0	0	109.7	G456 Q457 C466	C454-G456 PolarHBondContact O-N 3.3Å; C454-Q457 HydrophobicContact CB-CB 4.06Å; C454-Q457 VanDerWaalsContact CB-O 3.32Å; C454-Q457 WeakPolarHBondContact CB-O 3.08Å; C454-Q457 PolarHBondContact O-N 2.93Å; C454-C466 WeakPolarHBondContact CA-SG 3.42Å; C454-C466 HydrophobicContact CB-CB 3.77Å; C454-C466 WeakPolarHBondContact CB-SG 3.27Å; C454-C466 WeakPolarHBondContact SG-CA 3.4Å; C454-C466 WeakPolarHBondContact SG-CB 3.4Å; C454-C466 CovalentContact SG-SG 2.04Å; C454-C466 PolarHBondContact SG-SG 3.06Å
455	P	85.1	Confident	87.1	Confident	83 Å²	83	49.8 Å²	49.8	54%	0.539	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	107.2	-174.2	-24.6	34.8	0	0	0	112.1	D452	D452-P455 WeakPolarHBondContact OD1-CA 3.44Å; D452-P455 WeakPolarHBondContact OD2-CA 3.26Å; D452-P455 WeakPolarHBondContact OD2-CB 3.09Å
456	G	80.5	Confident	86.8	Confident	88 Å²	88	50 Å²	50	91%	0.907	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	14	-177.3	0	0	0	0	0	115.7	C454	C454-G456 PolarHBondContact O-N 3.3Å
457	Q	87.6	Confident	86.3	Confident	101 Å²	101	49.5 Å²	49.5	47%	0.472	31%	0.306	S	S	.	.	S	Bend	trans	-136.9	159	-178.7	-79.9	179.4	-28.4	0	0	111.6	C454 C466 V467	C454-Q457 HydrophobicContact CB-CB 4.06Å; C454-Q457 VanDerWaalsContact CB-O 3.32Å; C454-Q457 WeakPolarHBondContact CB-O 3.08Å; C454-Q457 PolarHBondContact O-N 2.93Å; Q457-C466 HydrophobicContact CB-CB 3.93Å; Q457-V467 CarbonylContact C-O 3.49Å; Q457-V467 VanDerWaalsContact CB-O 3.3Å; Q457-V467 WeakPolarHBondContact CB-O 3.48Å
458	F	87.7	Confident	85.8	Confident	52 Å²	52	51.1 Å²	51.1	23%	0.228	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	145.4	172.7	-172.9	-106.9	0	0	0	111.4	C466 V467 L469 L480 D481	F458-C466 CarbonylContact O-C 3.57Å; F458-C466 VanDerWaalsContact O-CA 3.28Å; F458-C466 WeakPolarHBondContact O-CA 3.24Å; F458-V467 HydrophobicContact CB-CG2 4.11Å; F458-V467 HydrophobicContact CD1-CG2 4.15Å; F458-V467 PolarHBondContact N-O 3.12Å; F458-V467 PolarHBondContact O-N 3.5Å; F458-L469 HydrophobicContact CB-CB 4.06Å; F458-L469 HydrophobicContact CB-CD1 4.05Å; F458-L469 HydrophobicContact CD2-CD1 3.82Å; F458-L469 HydrophobicContact CG-CD1 4.04Å; F458-L480 HydrophobicContact CE1-CB 4.04Å; F458-L480 HydrophobicContact CZ-CB 4.2Å; F458-D481 HydrophobicContact CD1-CB 3.91Å; F458-D481 HydrophobicContact CE1-CB 4.32Å; F458-D481 VanDerWaalsContact CE1-N 3.26Å
459	L	89.3	Confident	85.3	Confident	54 Å²	54	54.5 Å²	54.5	28%	0.283	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	110.4	174.7	174.4	61.4	0	0	0	110.4	P453 T461 G464	P453-L459 HydrophobicContact CB-CD2 4.12Å; P453-L459 HydrophobicContact CG-CD2 4.33Å; L459-T461 PolarHBondContact O-N 2.79Å; L459-T461 VanDerWaalsContact O-N 3.1Å; L459-G464 WeakPolarHBondContact CD1-O 3.23Å
460	C	86.5	Confident	84.5	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	34%	0.335	C	S	.	.			trans	-64.5	111.8	170.9	-66.9	0	0	0	0	110.5	V462 S463 G464 L465 V467 C476	C460-V462 PolarHBondContact O-N 3.46Å; C460-V462 VanDerWaalsContact O-N 3.13Å; C460-S463 WeakPolarHBondContact CB-OG 3.38Å; C460-G464 WeakPolarHBondContact O-CA 3.35Å; C460-G464 PolarHBondContact O-N 3.48Å; C460-L465 PolarHBondContact N-O 3.32Å; C460-V467 WeakPolarHBondContact SG-CG2 3.17Å; C460-C476 WeakPolarHBondContact CA-SG 3.25Å; C460-C476 HydrophobicContact CB-CB 3.9Å; C460-C476 WeakPolarHBondContact CB-SG 3.33Å; C460-C476 WeakPolarHBondContact SG-CA 3.4Å; C460-C476 WeakPolarHBondContact SG-CB 3.17Å; C460-C476 CovalentContact SG-SG 2.04Å; C460-C476 PolarHBondContact SG-SG 2.66Å
461	T	83.1	Confident	83.5	Confident	102 Å²	102	52.8 Å²	52.8	63%	0.626	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-8	-174	58.2	0	0	0	0	115	L459 L480	L459-T461 PolarHBondContact O-N 2.79Å; L459-T461 VanDerWaalsContact O-N 3.1Å; T461-L480 WeakPolarHBondContact OG1-CD1 3.27Å
462	V	77.8	Confident	82.3	Confident	67 Å²	67	47.9 Å²	47.9	41%	0.406	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-54.2	177.4	176.1	0	0	0	0	111.6	Y415 C460 N478	Y415-V462 WeakPolarHBondContact CE2-O 3.48Å; C460-V462 PolarHBondContact O-N 3.46Å; C460-V462 VanDerWaalsContact O-N 3.13Å; V462-N478 VanDerWaalsContact CG2-ND2 3.28Å; V462-N478 WeakPolarHBondContact CG2-ND2 3.45Å
463	S	79.3	Confident	81.2	Confident	7 Å²	7	46.5 Å²	46.5	5%	0.049	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-13.5	-179.6	56.5	0	0	0	0	114.3	C416 C460 L465	C416-S463 PolarHBondContact N-O 3.36Å; C460-S463 WeakPolarHBondContact CB-OG 3.38Å; S463-L465 PolarHBondContact O-N 2.79Å; S463-L465 VanDerWaalsContact O-N 3.13Å
464	G	85.6	Confident	80.4	Confident	10 Å²	10	50.8 Å²	50.8	10%	0.103	31%	0.305	C	S	.	.			trans	67.4	4.1	-179	0	0	0	0	0	115.8	C416 R418 L459 C460	C416-G464 WeakPolarHBondContact O-CA 3.3Å; R418-G464 WeakPolarHBondContact CD-O 3.33Å; R418-G464 PolarHBondContact NE-O 3.07Å; L459-G464 WeakPolarHBondContact CD1-O 3.23Å; C460-G464 WeakPolarHBondContact O-CA 3.35Å; C460-G464 PolarHBondContact O-N 3.48Å
465	L	86.8	Confident	79.7	Confident	22 Å²	22	52.8 Å²	52.8	12%	0.115	32%	0.315	C	S	.	.			trans	-64.9	151.3	175	-58.6	178.1	0	0	0	111.4	P414 C416 C460 S463 V467	P414-L465 HydrophobicContact CB-CD2 4.15Å; P414-L465 HydrophobicContact CG-CD1 4Å; P414-L465 HydrophobicContact CG-CD2 4.03Å; C416-L465 HydrophobicContact CB-CD2 4.26Å; C460-L465 PolarHBondContact N-O 3.32Å; S463-L465 PolarHBondContact O-N 2.79Å; S463-L465 VanDerWaalsContact O-N 3.13Å; L465-V467 HydrophobicContact CB-CG1 3.97Å
466	C	87.7	Confident	79.2	Confident	39 Å²	39	48.8 Å²	48.8	26%	0.264	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	129.6	158.5	-58.5	0	0	0	0	108.6	R418 C454 Q457 F458	R418-C466 PolarHBondContact NH2-SG 2.84Å; C454-C466 WeakPolarHBondContact CA-SG 3.42Å; C454-C466 HydrophobicContact CB-CB 3.77Å; C454-C466 WeakPolarHBondContact CB-SG 3.27Å; C454-C466 WeakPolarHBondContact SG-CA 3.4Å; C454-C466 WeakPolarHBondContact SG-CB 3.4Å; C454-C466 CovalentContact SG-SG 2.04Å; C454-C466 PolarHBondContact SG-SG 3.06Å; Q457-C466 HydrophobicContact CB-CB 3.93Å; F458-C466 CarbonylContact O-C 3.57Å; F458-C466 VanDerWaalsContact O-CA 3.28Å; F458-C466 WeakPolarHBondContact O-CA 3.24Å
467	V	84.3	Confident	78.7	Confident	8 Å²	8	48 Å²	48	5%	0.048	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	162.8	-175.7	-60.1	0	0	0	0	110	Q457 F458 C460 L465 D475 D481	Q457-V467 CarbonylContact C-O 3.49Å; Q457-V467 VanDerWaalsContact CB-O 3.3Å; Q457-V467 WeakPolarHBondContact CB-O 3.48Å; F458-V467 HydrophobicContact CB-CG2 4.11Å; F458-V467 HydrophobicContact CD1-CG2 4.15Å; F458-V467 PolarHBondContact N-O 3.12Å; F458-V467 PolarHBondContact O-N 3.5Å; C460-V467 WeakPolarHBondContact SG-CG2 3.17Å; L465-V467 HydrophobicContact CB-CG1 3.97Å; V467-D475 HydrophobicContact CB-CB 3.8Å; V467-D475 HydrophobicContact CG1-CB 3.63Å; V467-D475 HydrophobicContact CG2-CB 4.31Å; V467-D481 HydrophobicContact CG2-CB 4.3Å
468	P	81.2	Confident	77.9	Confident	47 Å²	47	45.9 Å²	45.9	31%	0.305	26%	0.262	S	S	.	.			trans	-50.8	158.7	164.7	-26.1	36.7	0	0	0	112.8	D471 D475	P468-D471 HydrophobicContact CB-CB 3.76Å; P468-D475 WeakPolarHBondContact CD-OD2 3.38Å
469	L	80.6	Confident	77.2	Confident	96 Å²	96	43.9 Å²	43.9	50%	0.503	26%	0.256	S	S	.	.	S	Bend	trans	-118.3	123.9	175.1	179.6	58.3	0	0	0	108.6	F458 D471 D481	F458-L469 HydrophobicContact CB-CB 4.06Å; F458-L469 HydrophobicContact CB-CD1 4.05Å; F458-L469 HydrophobicContact CD2-CD1 3.82Å; F458-L469 HydrophobicContact CG-CD1 4.04Å; L469-D471 VanDerWaalsContact C-N 3.35Å; L469-D481 WeakPolarHBondContact CD1-O 3.27Å
470	C	73.2	Confident	76.8	Confident	57 Å²	57	43.5 Å²	43.5	39%	0.385	25%	0.254	S	S	.	.	S	Bend	trans	59.4	42.4	-179.1	-46.6	0	0	0	0	112.8	E482 C485	C470-E482 WeakPolarHBondContact CA-OE1 3.42Å; C470-E482 PolarHBondContact N-OE1 2.97Å; C470-C485 WeakPolarHBondContact CA-SG 3.37Å; C470-C485 HydrophobicContact CB-CB 3.9Å; C470-C485 WeakPolarHBondContact CB-SG 3.13Å; C470-C485 WeakPolarHBondContact SG-CA 3.43Å; C470-C485 WeakPolarHBondContact SG-CB 3.22Å; C470-C485 CovalentContact SG-SG 2.03Å; C470-C485 PolarHBondContact SG-SG 3.12Å
471	D	66.8	Low	76.5	Confident	45 Å²	45	43.6 Å²	43.6	24%	0.241	25%	0.254	C	S	.	.	S	Bend	trans	-93.2	-8.3	170.4	103.6	-34.1	0	0	0	112.5	P468 L469 I473 E482 Y502 K541	P468-D471 HydrophobicContact CB-CB 3.76Å; L469-D471 VanDerWaalsContact C-N 3.35Å; D471-I473 WeakPolarHBondContact OD1-CB 3.35Å; D471-I473 PolarHBondContact OD1-N 2.76Å; D471-I473 VanDerWaalsContact OD1-N 3.13Å; D471-E482 PolarHBondContact N-OE1 2.87Å; D471-E482 VanDerWaalsContact N-OE1 3.07Å; D471-Y502 VanDerWaalsContact C-OH 3.26Å; D471-Y502 PolarHBondContact O-OH 3.28Å; D471-K541 IonicContact OD2-NZ 2.72Å; D471-K541 PolarHBondContact OD2-NZ 3.31Å
472	G	63.5	Low	76.4	Confident	11 Å²	11	38.9 Å²	38.9	11%	0.113	23%	0.225	C	C	.	.	S	Bend	trans	106.2	-15.4	174.9	0	0	0	0	0	115.1	E482 Y502	G472-E482 VanDerWaalsContact CA-CD 3.41Å; G472-E482 WeakPolarHBondContact CA-OE2 3.37Å; G472-E482 VanDerWaalsContact N-CD 3.3Å; G472-E482 PolarHBondContact N-OE1 2.87Å; G472-E482 PolarHBondContact N-OE2 3.09Å; G472-Y502 WeakPolarHBondContact CA-OH 3.41Å; G472-Y502 PolarHBondContact N-OH 2.82Å
473	I	65.1	Low	76.3	Confident	42 Å²	42	43.1 Å²	43.1	22%	0.215	23%	0.234	C	C	.	.			trans	-105.7	142	-168.8	-63.9	145.7	0	0	0	109.4	D471 D475 E482 K541	D471-I473 WeakPolarHBondContact OD1-CB 3.35Å; D471-I473 PolarHBondContact OD1-N 2.76Å; D471-I473 VanDerWaalsContact OD1-N 3.13Å; I473-D475 WeakPolarHBondContact CG2-OD1 3.48Å; I473-D475 PolarHBondContact O-N 3.14Å; I473-E482 WeakPolarHBondContact O-CG 3.09Å; I473-K541 HydrophobicContact CD1-CB 3.5Å; I473-K541 HydrophobicContact CD1-CD 3.2Å; I473-K541 HydrophobicContact CD1-CG 4.04Å; I473-K541 HydrophobicContact CG1-CB 4.45Å
474	K	68.5	Low	76	Confident	129 Å²	129	50 Å²	50	56%	0.561	27%	0.27	S	S	*	.			trans	-87	63.3	-179.5	-64.3	161.2	-171.7	148.8	0	108.1	C476 E482	K474-C476 CarbonylContact C-O 3.6Å; K474-C476 CarbonylContact O-C 3.59Å; K474-C476 PolarHBondContact O-N 3.25Å; K474-E482 HydrophobicContact CG-CG 4.48Å
475	D	73.8	Confident	75.5	Confident	48 Å²	48	50.3 Å²	50.3	26%	0.257	27%	0.271	S	S	.	.			trans	-60.9	-33.9	174.9	-76.6	-19.1	0	0	0	109.9	V467 P468 I473 D481	V467-D475 HydrophobicContact CB-CB 3.8Å; V467-D475 HydrophobicContact CG1-CB 3.63Å; V467-D475 HydrophobicContact CG2-CB 4.31Å; P468-D475 WeakPolarHBondContact CD-OD2 3.38Å; I473-D475 WeakPolarHBondContact CG2-OD1 3.48Å; I473-D475 PolarHBondContact O-N 3.14Å; D475-D481 PolarHBondContact N-OD2 2.85Å; D475-D481 VanDerWaalsContact N-OD2 3.12Å
476	C	75.6	Confident	75	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.297	C	S	.	.	S	Bend	trans	-73.7	127	160.4	-56.7	0	0	0	0	110.7	C460 K474 N478 G479 D481	C460-C476 WeakPolarHBondContact CA-SG 3.25Å; C460-C476 HydrophobicContact CB-CB 3.9Å; C460-C476 WeakPolarHBondContact CB-SG 3.33Å; C460-C476 WeakPolarHBondContact SG-CA 3.4Å; C460-C476 WeakPolarHBondContact SG-CB 3.17Å; C460-C476 CovalentContact SG-SG 2.04Å; C460-C476 PolarHBondContact SG-SG 2.66Å; K474-C476 CarbonylContact C-O 3.6Å; K474-C476 CarbonylContact O-C 3.59Å; K474-C476 PolarHBondContact O-N 3.25Å; C476-N478 PolarHBondContact O-N 3.03Å; C476-G479 PolarHBondContact O-N 2.9Å; C476-D481 VanDerWaalsContact CB-OD2 3.26Å; C476-D481 WeakPolarHBondContact CB-OD2 3.32Å; C476-D481 PolarHBondContact N-OD2 2.89Å; C476-D481 PolarHBondContact SG-OD2 2.93Å
477	S	69.3	Low	74.1	Confident	70 Å²	70	52.8 Å²	52.8	49%	0.49	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-0.7	177.8	58.5	0	0	0	0	116.6
478	N	70.8	Confident	73.3	Confident	58 Å²	58	56.2 Å²	56.2	31%	0.31	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.8	5.4	175.8	63.2	1.4	0	0	0	114.5	V462 C476 L480 R483	V462-N478 VanDerWaalsContact CG2-ND2 3.28Å; V462-N478 WeakPolarHBondContact CG2-ND2 3.45Å; C476-N478 PolarHBondContact O-N 3.03Å; N478-L480 VanDerWaalsContact ND2-CD1 3.27Å; N478-L480 WeakPolarHBondContact ND2-CD1 3.27Å; N478-L480 WeakPolarHBondContact OD1-CB 3.35Å; N478-L480 WeakPolarHBondContact OD1-CG 3.03Å; N478-L480 PolarHBondContact OD1-N 3Å; N478-R483 PolarHBondContact O-NH2 2.89Å
479	G	72.1	Confident	72.1	Confident	10 Å²	10	55.2 Å²	55.2	10%	0.103	30%	0.302	C	S	.	.			trans	57.1	52.3	-179	0	0	0	0	0	113	C476 D481 R483	C476-G479 PolarHBondContact O-N 2.9Å; G479-D481 WeakPolarHBondContact CA-OD1 3.03Å; G479-R483 WeakPolarHBondContact O-CB 3.47Å
480	L	80.9	Confident	71.5	Confident	46 Å²	46	53.5 Å²	53.5	24%	0.241	29%	0.291	C	S	.	.			trans	-93.7	-34.1	178	-84.9	-177	0	0	0	113.6	F458 T461 N478 E482 R483	F458-L480 HydrophobicContact CE1-CB 4.04Å; F458-L480 HydrophobicContact CZ-CB 4.2Å; T461-L480 WeakPolarHBondContact OG1-CD1 3.27Å; N478-L480 VanDerWaalsContact ND2-CD1 3.27Å; N478-L480 WeakPolarHBondContact ND2-CD1 3.27Å; N478-L480 WeakPolarHBondContact OD1-CB 3.35Å; N478-L480 WeakPolarHBondContact OD1-CG 3.03Å; N478-L480 PolarHBondContact OD1-N 3Å; L480-E482 VanDerWaalsContact C-N 3.26Å; L480-E482 PolarHBondContact O-N 2.94Å; L480-R483 HydrophobicContact CD2-CB 4.37Å; L480-R483 PolarHBondContact O-N 2.85Å
481	D	81.1	Confident	71.4	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.005	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-39.2	-58.5	158.7	36	18.8	0	0	0	110.7	F458 V467 L469 D475 C476 G479 R483 C485	F458-D481 HydrophobicContact CD1-CB 3.91Å; F458-D481 HydrophobicContact CE1-CB 4.32Å; F458-D481 VanDerWaalsContact CE1-N 3.26Å; V467-D481 HydrophobicContact CG2-CB 4.3Å; L469-D481 WeakPolarHBondContact CD1-O 3.27Å; D475-D481 PolarHBondContact N-OD2 2.85Å; D475-D481 VanDerWaalsContact N-OD2 3.12Å; C476-D481 VanDerWaalsContact CB-OD2 3.26Å; C476-D481 WeakPolarHBondContact CB-OD2 3.32Å; C476-D481 PolarHBondContact N-OD2 2.89Å; C476-D481 PolarHBondContact SG-OD2 2.93Å; G479-D481 WeakPolarHBondContact CA-OD1 3.03Å; D481-R483 VanDerWaalsContact C-N 3.32Å; D481-R483 PolarHBondContact O-N 2.73Å; D481-C485 PolarHBondContact O-SG 3.33Å; D481-C485 VanDerWaalsContact O-SG 3.32Å
482	E	80.4	Confident	72	Confident	3 Å²	3	55 Å²	55	1%	0.014	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-81.8	-5.2	-174.5	-67.9	-56.3	126.6	0	0	114.2	C470 D471 G472 I473 K474 L480 V488 A489	C470-E482 WeakPolarHBondContact CA-OE1 3.42Å; C470-E482 PolarHBondContact N-OE1 2.97Å; D471-E482 PolarHBondContact N-OE1 2.87Å; D471-E482 VanDerWaalsContact N-OE1 3.07Å; G472-E482 VanDerWaalsContact CA-CD 3.41Å; G472-E482 WeakPolarHBondContact CA-OE2 3.37Å; G472-E482 VanDerWaalsContact N-CD 3.3Å; G472-E482 PolarHBondContact N-OE1 2.87Å; G472-E482 PolarHBondContact N-OE2 3.09Å; I473-E482 WeakPolarHBondContact O-CG 3.09Å; K474-E482 HydrophobicContact CG-CG 4.48Å; L480-E482 VanDerWaalsContact C-N 3.26Å; L480-E482 PolarHBondContact O-N 2.94Å; E482-V488 CarbonylContact O-C 3.51Å; E482-V488 WeakPolarHBondContact O-CA 3.44Å; E482-A489 HydrophobicContact CB-CB 3.91Å; E482-A489 HydrophobicContact CG-CB 4.48Å; E482-A489 PolarHBondContact O-N 3.48Å; E482-A489 VanDerWaalsContact O-N 3.12Å
483	R	75	Confident	72.9	Confident	156 Å²	156	54.5 Å²	54.5	59%	0.589	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-84.1	-29.1	-173	-171.5	171.9	-60.8	-159	2.6	114.6	N478 G479 L480 D481	N478-R483 PolarHBondContact O-NH2 2.89Å; G479-R483 WeakPolarHBondContact O-CB 3.47Å; L480-R483 HydrophobicContact CD2-CB 4.37Å; L480-R483 PolarHBondContact O-N 2.85Å; D481-R483 VanDerWaalsContact C-N 3.32Å; D481-R483 PolarHBondContact O-N 2.73Å
484	N	74.4	Confident	73.6	Confident	151 Å²	151	56.5 Å²	56.5	81%	0.807	30%	0.301	S	S	*	.	S	Bend	trans	-111.1	25.2	-175.9	-159.2	89.8	0	0	0	112.2
485	C	75.3	Confident	74.1	Confident	18 Å²	18	54.7 Å²	54.7	12%	0.122	29%	0.294	C	S	.	.	S	Bend	trans	-79.8	162.2	170.5	-61.1	0	0	0	0	110.8	C470 D481 C487	C470-C485 WeakPolarHBondContact CA-SG 3.37Å; C470-C485 HydrophobicContact CB-CB 3.9Å; C470-C485 WeakPolarHBondContact CB-SG 3.13Å; C470-C485 WeakPolarHBondContact SG-CA 3.43Å; C470-C485 WeakPolarHBondContact SG-CB 3.22Å; C470-C485 CovalentContact SG-SG 2.03Å; C470-C485 PolarHBondContact SG-SG 3.12Å; D481-C485 PolarHBondContact O-SG 3.33Å; D481-C485 VanDerWaalsContact O-SG 3.32Å; C485-C487 WeakPolarHBondContact CB-O 3.44Å; C485-C487 PolarHBondContact O-N 3.23Å
486	V	74.9	Confident	74.6	Confident	110 Å²	110	56.4 Å²	56.4	67%	0.667	30%	0.303	S	S	*	.	S	Bend	trans	-61.6	-37.1	169.2	178.6	0	0	0	0	109.9	M492	V486-M492 HydrophobicContact CB-SD 3.85Å; V486-M492 HydrophobicContact CG1-SD 4.23Å; V486-M492 HydrophobicContact CG2-SD 4.12Å
487	C	69.7	Low	74.8	Confident	2 Å²	2	59.2 Å²	59.2	1%	0.014	32%	0.323	C	S	.	.	S	Bend	trans	-116.1	113.7	177.4	-57.9	0	0	0	0	108.1	C485 A489 Q490 M492 C499	C485-C487 WeakPolarHBondContact CB-O 3.44Å; C485-C487 PolarHBondContact O-N 3.23Å; C487-A489 PolarHBondContact O-N 2.85Å; C487-Q490 HydrophobicContact CB-CB 3.76Å; C487-Q490 WeakPolarHBondContact CB-O 3.41Å; C487-M492 HydrophobicContact CB-CB 4.22Å; C487-C499 WeakPolarHBondContact CA-SG 3.49Å; C487-C499 HydrophobicContact CB-CB 3.5Å; C487-C499 WeakPolarHBondContact CB-SG 3.33Å; C487-C499 WeakPolarHBondContact SG-CA 3.14Å; C487-C499 WeakPolarHBondContact SG-CB 3.49Å; C487-C499 CovalentContact SG-SG 2.03Å; C487-C499 PolarHBondContact SG-SG 2.78Å
488	V	66.6	Low	75.5	Confident	80 Å²	80	60.4 Å²	60.4	49%	0.485	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	104.3	-163.8	170.6	0	0	0	0	111.1	E482 Q490	E482-V488 CarbonylContact O-C 3.51Å; E482-V488 WeakPolarHBondContact O-CA 3.44Å; V488-Q490 PolarHBondContact O-N 2.87Å
489	A	57.6	Low	76	Confident	26 Å²	26	59.9 Å²	59.9	22%	0.215	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	52	40.8	-165.8	0	0	0	0	0	111.9	E482 C487	E482-A489 HydrophobicContact CB-CB 3.91Å; E482-A489 HydrophobicContact CG-CB 4.48Å; E482-A489 PolarHBondContact O-N 3.48Å; E482-A489 VanDerWaalsContact O-N 3.12Å; C487-A489 PolarHBondContact O-N 2.85Å
490	Q	67.6	Low	76	Confident	60 Å²	60	59.5 Å²	59.5	28%	0.28	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	139.9	-176	-72.5	-176	-37.6	0	0	107.8	C487 V488 C499 V500 D501	C487-Q490 HydrophobicContact CB-CB 3.76Å; C487-Q490 WeakPolarHBondContact CB-O 3.41Å; V488-Q490 PolarHBondContact O-N 2.87Å; Q490-C499 HydrophobicContact CB-CB 4.35Å; Q490-V500 CarbonylContact C-O 3.55Å; Q490-V500 VanDerWaalsContact CA-O 3.24Å; Q490-V500 WeakPolarHBondContact CA-O 3.33Å; Q490-V500 VanDerWaalsContact CB-O 3.3Å; Q490-V500 WeakPolarHBondContact CB-O 3.27Å; Q490-D501 PolarHBondContact NE2-OD1 2.9Å
491	Y	70.5	Confident	75.4	Confident	51 Å²	51	59.7 Å²	59.7	20%	0.2	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	147.5	176.3	178.3	-92.2	0	0	0	109.7	C499 V500 Y502 V505 S516 D517	Y491-C499 WeakPolarHBondContact O-CA 3.49Å; Y491-V500 PolarHBondContact N-O 3.1Å; Y491-V500 PolarHBondContact O-N 2.74Å; Y491-Y502 HydrophobicContact CD2-CE1 4.19Å; Y491-V505 VanDerWaalsContact CB-CG2 3.42Å; Y491-V505 HydrophobicContact CD1-CG2 4.33Å; Y491-V505 HydrophobicContact CD2-CG1 4.31Å; Y491-V505 HydrophobicContact CD2-CG2 4.4Å; Y491-V505 HydrophobicContact CG-CG1 4.47Å; Y491-V505 HydrophobicContact CG-CG2 3.84Å; Y491-S516 PolarHBondContact OH-O 2.71Å; Y491-D517 HydrophobicContact CD1-CB 4.34Å; Y491-D517 HydrophobicContact CE1-CB 4.12Å
492	M	79.9	Confident	74.6	Confident	83 Å²	83	62.9 Å²	62.9	41%	0.409	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	113.2	180	-176.3	-177.9	70.1	0	0	109.1	V486 C487 P494 Q498	V486-M492 HydrophobicContact CB-SD 3.85Å; V486-M492 HydrophobicContact CG1-SD 4.23Å; V486-M492 HydrophobicContact CG2-SD 4.12Å; C487-M492 HydrophobicContact CB-CB 4.22Å; M492-P494 WeakPolarHBondContact O-CD 3.47Å; M492-Q498 WeakPolarHBondContact CA-O 3.43Å
493	C	81.1	Confident	73.6	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	35%	0.353	C	S	.	.			trans	-57.3	119.5	176	-54.9	0	0	0	0	109.8	E495 D496 S497 Q498 V500 C512	C493-E495 PolarHBondContact O-N 2.91Å; C493-E495 VanDerWaalsContact O-N 3.15Å; C493-D496 WeakPolarHBondContact CB-OD1 3.42Å; C493-S497 VanDerWaalsContact O-CA 3.25Å; C493-S497 WeakPolarHBondContact O-CA 3.44Å; C493-S497 PolarHBondContact O-N 3.22Å; C493-Q498 HydrophobicContact CB-CB 4.34Å; C493-Q498 PolarHBondContact N-O 3.43Å; C493-Q498 PolarHBondContact SG-O 2.87Å; C493-Q498 VanDerWaalsContact SG-O 3.41Å; C493-V500 VanDerWaalsContact SG-CG2 3.59Å; C493-C512 VanDerWaalsContact CA-SG 3.51Å; C493-C512 HydrophobicContact CB-CB 3.72Å; C493-C512 WeakPolarHBondContact CB-SG 3.07Å; C493-C512 WeakPolarHBondContact SG-CA 3.41Å; C493-C512 WeakPolarHBondContact SG-CB 3.43Å; C493-C512 CovalentContact SG-SG 2.03Å; C493-C512 PolarHBondContact SG-SG 3.4Å
494	P	79.6	Confident	73.2	Confident	85 Å²	85	63.1 Å²	63.1	55%	0.552	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-14.4	-174.8	23	-31.2	0	0	0	114.1	M492	M492-P494 WeakPolarHBondContact O-CD 3.47Å
495	E	80.8	Confident	73	Confident	91 Å²	91	56.9 Å²	56.9	43%	0.425	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-48	-179.8	-63.7	69.1	-147.7	0	0	113.7	C493 P513 E514 S516	C493-E495 PolarHBondContact O-N 2.91Å; C493-E495 VanDerWaalsContact O-N 3.15Å; E495-P513 HydrophobicContact CB-CG 4.41Å; E495-E514 HydrophobicContact CG-CB 4.08Å; E495-E514 HydrophobicContact CG-CG 3.76Å; E495-S516 WeakPolarHBondContact OE1-CB 3.28Å; E495-S516 PolarHBondContact OE1-OG 2.91Å; E495-S516 PolarHBondContact OE2-OG 2.7Å
496	D	83.4	Confident	72.6	Confident	83 Å²	83	57 Å²	57	44%	0.444	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.8	-2.8	-170.3	73	-15.6	0	0	0	114.3	C493 Q498 P513	C493-D496 WeakPolarHBondContact CB-OD1 3.42Å; D496-Q498 VanDerWaalsContact C-N 3.27Å; D496-Q498 PolarHBondContact O-N 2.84Å; D496-Q498 VanDerWaalsContact OD1-CB 3.25Å; D496-Q498 WeakPolarHBondContact OD1-CB 3.41Å; D496-Q498 PolarHBondContact OD1-N 2.86Å; D496-P513 HydrophobicContact CB-CG 4.31Å; D496-P513 WeakPolarHBondContact OD2-CG 3.24Å
497	S	79.9	Confident	71.9	Confident	60 Å²	60	54 Å²	54	42%	0.42	28%	0.282	S	S	.	.			trans	61.1	26.9	-173	-49.2	0	0	0	0	114.9	C493	C493-S497 VanDerWaalsContact O-CA 3.25Å; C493-S497 WeakPolarHBondContact O-CA 3.44Å; C493-S497 PolarHBondContact O-N 3.22Å
498	Q	83	Confident	71.5	Confident	94 Å²	94	60.7 Å²	60.7	44%	0.439	31%	0.313	S	S	.	.			trans	-62.4	146.1	165	-178	168.2	-78.2	0	0	110.6	M492 C493 D496 D511	M492-Q498 WeakPolarHBondContact CA-O 3.43Å; C493-Q498 HydrophobicContact CB-CB 4.34Å; C493-Q498 PolarHBondContact N-O 3.43Å; C493-Q498 PolarHBondContact SG-O 2.87Å; C493-Q498 VanDerWaalsContact SG-O 3.41Å; D496-Q498 VanDerWaalsContact C-N 3.27Å; D496-Q498 PolarHBondContact O-N 2.84Å; D496-Q498 VanDerWaalsContact OD1-CB 3.25Å; D496-Q498 WeakPolarHBondContact OD1-CB 3.41Å; D496-Q498 PolarHBondContact OD1-N 2.86Å; Q498-D511 PolarHBondContact NE2-O 3.09Å
499	C	81.1	Confident	71.9	Confident	47 Å²	47	62.2 Å²	62.2	32%	0.318	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	127	-177.9	-57.5	0	0	0	0	111.6	C487 Q490 Y491	C487-C499 WeakPolarHBondContact CA-SG 3.49Å; C487-C499 HydrophobicContact CB-CB 3.5Å; C487-C499 WeakPolarHBondContact CB-SG 3.33Å; C487-C499 WeakPolarHBondContact SG-CA 3.14Å; C487-C499 WeakPolarHBondContact SG-CB 3.49Å; C487-C499 CovalentContact SG-SG 2.03Å; C487-C499 PolarHBondContact SG-SG 2.78Å; Q490-C499 HydrophobicContact CB-CB 4.35Å; Y491-C499 WeakPolarHBondContact O-CA 3.49Å
500	V	73.4	Confident	73.1	Confident	2 Å²	2	64.5 Å²	64.5	1%	0.012	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	131.6	-174.7	177.9	0	0	0	0	108.6	Q490 Y491 C493 K504 V505 D511	Q490-V500 CarbonylContact C-O 3.55Å; Q490-V500 VanDerWaalsContact CA-O 3.24Å; Q490-V500 WeakPolarHBondContact CA-O 3.33Å; Q490-V500 VanDerWaalsContact CB-O 3.3Å; Q490-V500 WeakPolarHBondContact CB-O 3.27Å; Y491-V500 PolarHBondContact N-O 3.1Å; Y491-V500 PolarHBondContact O-N 2.74Å; C493-V500 VanDerWaalsContact SG-CG2 3.59Å; V500-K504 HydrophobicContact CG1-CB 3.66Å; V500-V505 HydrophobicContact CG1-CG2 4.04Å; V500-D511 HydrophobicContact CB-CB 4.42Å; V500-D511 HydrophobicContact CG1-CB 3.74Å; V500-D511 HydrophobicContact CG2-CB 3.76Å
501	D	67.4	Low	73.7	Confident	50 Å²	50	63.7 Å²	63.7	27%	0.267	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	143.3	177.2	-69.8	-50.3	0	0	0	111	Q490 Y503 K504	Q490-D501 PolarHBondContact NE2-OD1 2.9Å; D501-Y503 HydrophobicContact CB-CD1 3.54Å; D501-Y503 HydrophobicContact CB-CE1 3.11Å; D501-Y503 HydrophobicContact CB-CE2 4.5Å; D501-Y503 HydrophobicContact CB-CG 4.36Å; D501-Y503 PolarHBondContact O-N 3.22Å; D501-Y503 VanDerWaalsContact OD2-CE1 3.24Å; D501-Y503 WeakPolarHBondContact OD2-CE1 3.36Å; D501-Y503 VanDerWaalsContact OD2-CZ 3.29Å; D501-Y503 PolarHBondContact OD2-OH 2.75Å; D501-K504 HydrophobicContact CB-CD 4.04Å; D501-K504 HydrophobicContact CB-CG 4.09Å; D501-K504 WeakPolarHBondContact O-CA 3.47Å; D501-K504 VanDerWaalsContact O-CB 3.31Å; D501-K504 WeakPolarHBondContact O-CB 3.17Å; D501-K504 PolarHBondContact O-N 2.03Å
502	Y	64.1	Low	74.4	Confident	68 Å²	68	61.5 Å²	61.5	27%	0.267	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-5.3	-178.1	-89.8	-79.6	0	0	0	116.3	D471 G472 Y491 K504 V505	D471-Y502 VanDerWaalsContact C-OH 3.26Å; D471-Y502 PolarHBondContact O-OH 3.28Å; G472-Y502 WeakPolarHBondContact CA-OH 3.41Å; G472-Y502 PolarHBondContact N-OH 2.82Å; Y491-Y502 HydrophobicContact CD2-CE1 4.19Å; Y502-K504 VanDerWaalsContact C-N 3.34Å; Y502-V505 HydrophobicContact CD1-CB 4.38Å; Y502-V505 HydrophobicContact CD1-CG2 4.12Å; Y502-V505 HydrophobicContact CE1-CG2 4.44Å
503	Y	60.6	Low	74.5	Confident	122 Å²	122	61 Å²	61	48%	0.478	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-2.5	167.2	68.6	-95.2	0	0	0	113	D501	D501-Y503 HydrophobicContact CB-CD1 3.54Å; D501-Y503 HydrophobicContact CB-CE1 3.11Å; D501-Y503 HydrophobicContact CB-CE2 4.5Å; D501-Y503 HydrophobicContact CB-CG 4.36Å; D501-Y503 PolarHBondContact O-N 3.22Å; D501-Y503 VanDerWaalsContact OD2-CE1 3.24Å; D501-Y503 WeakPolarHBondContact OD2-CE1 3.36Å; D501-Y503 VanDerWaalsContact OD2-CZ 3.29Å; D501-Y503 PolarHBondContact OD2-OH 2.75Å
504	K	66.3	Low	74.8	Confident	43 Å²	43	68.1 Å²	68.1	19%	0.187	35%	0.353	C	S	.	.	S	Bend	trans	-113.2	11.2	177.2	-47.7	177.8	102	-59	0	112	V500 D501 Y502 D507 D511	V500-K504 HydrophobicContact CG1-CB 3.66Å; D501-K504 HydrophobicContact CB-CD 4.04Å; D501-K504 HydrophobicContact CB-CG 4.09Å; D501-K504 WeakPolarHBondContact O-CA 3.47Å; D501-K504 VanDerWaalsContact O-CB 3.31Å; D501-K504 WeakPolarHBondContact O-CB 3.17Å; D501-K504 PolarHBondContact O-N 2.03Å; Y502-K504 VanDerWaalsContact C-N 3.34Å; K504-D507 WeakPolarHBondContact CA-OD2 3.49Å; K504-D511 WeakPolarHBondContact CE-OD1 3.26Å; K504-D511 IonicContact NZ-OD1 3.75Å; K504-D511 PolarHBondContact NZ-OD1 2.85Å; K504-D511 IonicContact NZ-OD2 3.39Å; K504-D511 PolarHBondContact NZ-OD2 3.15Å
505	V	70.1	Confident	74.7	Confident	19 Å²	19	65.7 Å²	65.7	12%	0.115	34%	0.34	C	S	.	.	S	Bend	trans	-107.5	120	175.7	-179.8	0	0	0	0	104.6	Y491 V500 Y502 D507 D517	Y491-V505 VanDerWaalsContact CB-CG2 3.42Å; Y491-V505 HydrophobicContact CD1-CG2 4.33Å; Y491-V505 HydrophobicContact CD2-CG1 4.31Å; Y491-V505 HydrophobicContact CD2-CG2 4.4Å; Y491-V505 HydrophobicContact CG-CG1 4.47Å; Y491-V505 HydrophobicContact CG-CG2 3.84Å; V500-V505 HydrophobicContact CG1-CG2 4.04Å; Y502-V505 HydrophobicContact CD1-CB 4.38Å; Y502-V505 HydrophobicContact CD1-CG2 4.12Å; Y502-V505 HydrophobicContact CE1-CG2 4.44Å; V505-D507 VanDerWaalsContact C-N 3.34Å; V505-D517 HydrophobicContact CG1-CB 4.48Å
506	C	66.8	Low	74.5	Confident	20 Å²	20	61.9 Å²	61.9	14%	0.135	32%	0.323	C	S	.	.	S	Bend	trans	66.9	31.1	-168.7	-46.3	0	0	0	0	113.3	D517 E518 C521	C506-D517 PolarHBondContact N-O 3.06Å; C506-E518 VanDerWaalsContact C-OE1 3.31Å; C506-E518 WeakPolarHBondContact CA-OE1 3.41Å; C506-E518 PolarHBondContact N-OE1 2.75Å; C506-C521 HydrophobicContact CB-CB 3.85Å; C506-C521 WeakPolarHBondContact CB-SG 3.15Å; C506-C521 VanDerWaalsContact SG-CA 3.56Å; C506-C521 WeakPolarHBondContact SG-CB 3.36Å; C506-C521 CovalentContact SG-SG 2.02Å; C506-C521 PolarHBondContact SG-SG 3.01Å
507	D	60.2	Low	74	Confident	49 Å²	49	58 Å²	58	26%	0.262	30%	0.302	S	S	.	.	S	Bend	trans	-93.7	3	176.3	91.8	-12.6	0	0	0	113.9	K504 V505 H509 E518 V550	K504-D507 WeakPolarHBondContact CA-OD2 3.49Å; V505-D507 VanDerWaalsContact C-N 3.34Å; D507-H509 VanDerWaalsContact C-N 3.26Å; D507-H509 WeakPolarHBondContact OD1-CA 3.28Å; D507-H509 WeakPolarHBondContact OD1-CB 3.22Å; D507-H509 PolarHBondContact OD1-N 3.17Å; D507-E518 PolarHBondContact N-OE1 3.01Å; D507-V550 HydrophobicContact CB-CG1 3.8Å
508	Q	62.1	Low	73.9	Confident	141 Å²	141	57.5 Å²	57.5	66%	0.659	29%	0.294	S	S	*	.	S	Bend	trans	71.1	12.7	-174.3	-51.1	176.5	23.4	0	0	114.3	E518	Q508-E518 WeakPolarHBondContact CA-OE2 3.35Å; Q508-E518 VanDerWaalsContact N-CD 3.31Å; Q508-E518 PolarHBondContact N-OE1 3.1Å; Q508-E518 PolarHBondContact N-OE2 2.94Å
509	H	74.3	Confident	73.3	Confident	112 Å²	112	59.3 Å²	59.3	52%	0.519	30%	0.304	S	S	.	.	S	Bend	trans	-110.2	131.5	168.1	-157	63.2	0	0	0	111.3	D507 D511 E518	D507-H509 VanDerWaalsContact C-N 3.26Å; D507-H509 WeakPolarHBondContact OD1-CA 3.28Å; D507-H509 WeakPolarHBondContact OD1-CB 3.22Å; D507-H509 PolarHBondContact OD1-N 3.17Å; H509-D511 IonicContact CD2-OD2 3.34Å; H509-D511 PolarHBondContact CD2-OD2 2.75Å; H509-D511 PolarHBondContact O-N 2.58Å; H509-D511 VanDerWaalsContact O-N 3.08Å; H509-E518 WeakPolarHBondContact O-CG 3.48Å
510	P	81.9	Confident	72.6	Confident	74 Å²	74	63.1 Å²	63.1	48%	0.481	32%	0.321	S	S	.	.			trans	-78.4	92	170.9	32.1	-33.4	0	0	0	110	A515	P510-A515 HydrophobicContact CB-CB 3.66Å
511	D	81.3	Confident	72.1	Confident	43 Å²	43	65.3 Å²	65.3	23%	0.23	34%	0.336	C	S	.	.			trans	-78.5	-26.2	167.4	-89.3	-109.1	0	0	0	111.3	Q498 V500 K504 H509 D517	Q498-D511 PolarHBondContact NE2-O 3.09Å; V500-D511 HydrophobicContact CB-CB 4.42Å; V500-D511 HydrophobicContact CG1-CB 3.74Å; V500-D511 HydrophobicContact CG2-CB 3.76Å; K504-D511 WeakPolarHBondContact CE-OD1 3.26Å; K504-D511 IonicContact NZ-OD1 3.75Å; K504-D511 PolarHBondContact NZ-OD1 2.85Å; K504-D511 IonicContact NZ-OD2 3.39Å; K504-D511 PolarHBondContact NZ-OD2 3.15Å; H509-D511 IonicContact CD2-OD2 3.34Å; H509-D511 PolarHBondContact CD2-OD2 2.75Å; H509-D511 PolarHBondContact O-N 2.58Å; H509-D511 VanDerWaalsContact O-N 3.08Å; D511-D517 VanDerWaalsContact CA-OD2 3.32Å; D511-D517 WeakPolarHBondContact CA-OD2 3.46Å; D511-D517 WeakPolarHBondContact CB-OD2 3.43Å; D511-D517 PolarHBondContact N-OD2 3.19Å
512	C	85.5	Confident	71.6	Confident	5 Å²	5	66 Å²	66	3%	0.034	34%	0.342	C	S	.	.	S	Bend	trans	-88.6	151.4	173.2	-69	0	0	0	0	113.5	C493 E514 A515 S516 D517	C493-C512 VanDerWaalsContact CA-SG 3.51Å; C493-C512 HydrophobicContact CB-CB 3.72Å; C493-C512 WeakPolarHBondContact CB-SG 3.07Å; C493-C512 WeakPolarHBondContact SG-CA 3.41Å; C493-C512 WeakPolarHBondContact SG-CB 3.43Å; C493-C512 CovalentContact SG-SG 2.03Å; C493-C512 PolarHBondContact SG-SG 3.4Å; C512-E514 PolarHBondContact O-N 3.15Å; C512-A515 PolarHBondContact O-N 3.48Å; C512-S516 VanDerWaalsContact CB-OG 3.23Å; C512-S516 WeakPolarHBondContact CB-OG 3.3Å; C512-D517 HydrophobicContact CB-CB 4.25Å; C512-D517 WeakPolarHBondContact CB-OD1 3.2Å; C512-D517 PolarHBondContact N-OD2 3.32Å
513	P	82.6	Confident	71.2	Confident	72 Å²	72	65.4 Å²	65.4	47%	0.468	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-33.7	-169.3	-25.6	34.8	0	0	0	116.2	E495 D496	E495-P513 HydrophobicContact CB-CG 4.41Å; D496-P513 HydrophobicContact CB-CG 4.31Å; D496-P513 WeakPolarHBondContact OD2-CG 3.24Å
514	E	85.4	Confident	71.1	Confident	151 Å²	151	63.4 Å²	63.4	71%	0.706	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	19.3	178.3	-64.1	-76.1	154.7	0	0	111.7	E495 C512 S516	E495-E514 HydrophobicContact CG-CB 4.08Å; E495-E514 HydrophobicContact CG-CG 3.76Å; C512-E514 PolarHBondContact O-N 3.15Å; E514-S516 VanDerWaalsContact C-N 3.26Å; E514-S516 PolarHBondContact O-N 3.38Å
515	A	78.3	Confident	71	Confident	33 Å²	33	63.1 Å²	63.1	27%	0.273	37%	0.369	S	S	.	.	S	Bend	trans	57.6	32.8	-175	0	0	0	0	0	114.2	P510 C512 D517 E518 M519	P510-A515 HydrophobicContact CB-CB 3.66Å; C512-A515 PolarHBondContact O-N 3.48Å; A515-D517 VanDerWaalsContact C-N 3.33Å; A515-D517 VanDerWaalsContact CA-OD1 3.29Å; A515-D517 WeakPolarHBondContact CA-OD1 3.49Å; A515-D517 PolarHBondContact O-N 2.97Å; A515-E518 HydrophobicContact CB-CB 4.45Å; A515-E518 CarbonylContact O-C 3.59Å; A515-E518 PolarHBondContact O-N 2.96Å; A515-E518 VanDerWaalsContact O-N 3.07Å; A515-M519 WeakPolarHBondContact O-CG 3.28Å; A515-M519 PolarHBondContact O-N 2.8Å
516	S	77.7	Confident	70.8	Confident	11 Å²	11	70.3 Å²	70.3	8%	0.077	40%	0.401	C	S	.	.			trans	-69.7	-25.5	-175.6	42.9	0	0	0	0	114.2	Y491 E495 C512 E514 M519	Y491-S516 PolarHBondContact OH-O 2.71Å; E495-S516 WeakPolarHBondContact OE1-CB 3.28Å; E495-S516 PolarHBondContact OE1-OG 2.91Å; E495-S516 PolarHBondContact OE2-OG 2.7Å; C512-S516 VanDerWaalsContact CB-OG 3.23Å; C512-S516 WeakPolarHBondContact CB-OG 3.3Å; E514-S516 VanDerWaalsContact C-N 3.26Å; E514-S516 PolarHBondContact O-N 3.38Å; S516-M519 PolarHBondContact O-N 3.44Å
517	D	72.9	Confident	71	Confident	1 Å²	1	73.1 Å²	73.1	1%	0.005	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-37.9	164.2	45.1	-4	0	0	0	113.1	Y491 V505 C506 D511 C512 A515 M519	Y491-D517 HydrophobicContact CD1-CB 4.34Å; Y491-D517 HydrophobicContact CE1-CB 4.12Å; V505-D517 HydrophobicContact CG1-CB 4.48Å; C506-D517 PolarHBondContact N-O 3.06Å; D511-D517 VanDerWaalsContact CA-OD2 3.32Å; D511-D517 WeakPolarHBondContact CA-OD2 3.46Å; D511-D517 WeakPolarHBondContact CB-OD2 3.43Å; D511-D517 PolarHBondContact N-OD2 3.19Å; C512-D517 HydrophobicContact CB-CB 4.25Å; C512-D517 WeakPolarHBondContact CB-OD1 3.2Å; C512-D517 PolarHBondContact N-OD2 3.32Å; A515-D517 VanDerWaalsContact C-N 3.33Å; A515-D517 VanDerWaalsContact CA-OD1 3.29Å; A515-D517 WeakPolarHBondContact CA-OD1 3.49Å; A515-D517 PolarHBondContact O-N 2.97Å; D517-M519 VanDerWaalsContact C-N 3.26Å; D517-M519 PolarHBondContact O-N 2.89Å
518	E	76.1	Confident	71.3	Confident	50 Å²	50	74.3 Å²	74.3	23%	0.234	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	10.2	177.1	-63.9	-56.8	120.5	0	0	113.6	C506 D507 Q508 H509 A515	C506-E518 VanDerWaalsContact C-OE1 3.31Å; C506-E518 WeakPolarHBondContact CA-OE1 3.41Å; C506-E518 PolarHBondContact N-OE1 2.75Å; D507-E518 PolarHBondContact N-OE1 3.01Å; Q508-E518 WeakPolarHBondContact CA-OE2 3.35Å; Q508-E518 VanDerWaalsContact N-CD 3.31Å; Q508-E518 PolarHBondContact N-OE1 3.1Å; Q508-E518 PolarHBondContact N-OE2 2.94Å; H509-E518 WeakPolarHBondContact O-CG 3.48Å; A515-E518 HydrophobicContact CB-CB 4.45Å; A515-E518 CarbonylContact O-C 3.59Å; A515-E518 PolarHBondContact O-N 2.96Å; A515-E518 VanDerWaalsContact O-N 3.07Å
519	M	70.8	Confident	71.2	Confident	133 Å²	133	75.1 Å²	75.1	66%	0.655	44%	0.438	S	S	*	.	S	Bend	trans	-104.3	139	176.7	-59.9	-161.8	87.5	0	0	112.4	A515 S516 D517 C521	A515-M519 WeakPolarHBondContact O-CG 3.28Å; A515-M519 PolarHBondContact O-N 2.8Å; S516-M519 PolarHBondContact O-N 3.44Å; D517-M519 VanDerWaalsContact C-N 3.26Å; D517-M519 PolarHBondContact O-N 2.89Å; M519-C521 PolarHBondContact O-N 3.32Å; M519-C521 VanDerWaalsContact O-N 3.16Å
520	N	67.1	Low	70.4	Confident	126 Å²	126	73.1 Å²	73.1	67%	0.674	43%	0.43	S	S	*	.	S	Bend	trans	66.9	15.3	162.6	-159.6	62.3	0	0	0	116.1	T522 A523	N520-T522 PolarHBondContact O-N 2.74Å; N520-A523 PolarHBondContact O-N 3.35Å; N520-A523 VanDerWaalsContact O-N 3.08Å; N520-A523 VanDerWaalsContact OD1-CB 3.27Å; N520-A523 WeakPolarHBondContact OD1-CB 3.25Å
521	C	62.1	Low	70	Confident	48 Å²	48	70.2 Å²	70.2	32%	0.324	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-38.7	-32.5	177.5	-62.1	0	0	0	0	117.4	C506 M519	C506-C521 HydrophobicContact CB-CB 3.85Å; C506-C521 WeakPolarHBondContact CB-SG 3.15Å; C506-C521 VanDerWaalsContact SG-CA 3.56Å; C506-C521 WeakPolarHBondContact SG-CB 3.36Å; C506-C521 CovalentContact SG-SG 2.02Å; C506-C521 PolarHBondContact SG-SG 3.01Å; M519-C521 PolarHBondContact O-N 3.32Å; M519-C521 VanDerWaalsContact O-N 3.16Å
522	T	57.3	Low	69.8	Low	65 Å²	65	69.3 Å²	69.3	40%	0.399	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-0.6	-171	54.3	0	0	0	0	114.5	N520 P554	N520-T522 PolarHBondContact O-N 2.74Å; T522-P554 HydrophobicContact CG2-CB 3.88Å; T522-P554 HydrophobicContact CG2-CG 3.73Å
523	A	55.3	Low	69.7	Low	56 Å²	56	72.9 Å²	72.9	46%	0.463	43%	0.426	S	S	.	.	S	Bend	trans	-100.8	123.7	-169.1	0	0	0	0	0	113.2	N520	N520-A523 PolarHBondContact O-N 3.35Å; N520-A523 VanDerWaalsContact O-N 3.08Å; N520-A523 VanDerWaalsContact OD1-CB 3.27Å; N520-A523 WeakPolarHBondContact OD1-CB 3.25Å
524	G	59.3	Low	69.7	Low	79 Å²	79	69.7 Å²	69.7	81%	0.814	41%	0.405	S	S	*	.	S	Bend	trans	99.5	8.2	169.6	0	0	0	0	0	116
525	V	63.6	Low	69.7	Low	38 Å²	38	66.6 Å²	66.6	23%	0.23	41%	0.406	C	S	.	.			trans	-89.8	114.6	172.3	-173.8	0	0	0	0	109.9	T531 C539 K541	V525-T531 HydrophobicContact CG1-CG2 3.92Å; V525-C539 VanDerWaalsContact CB-O 3.26Å; V525-C539 WeakPolarHBondContact CB-O 3.46Å; V525-C539 HydrophobicContact CG1-CB 4.11Å; V525-C539 WeakPolarHBondContact CG1-O 3Å; V525-K541 HydrophobicContact CB-CG 4.42Å; V525-K541 HydrophobicContact CG1-CG 3.7Å; V525-K541 HydrophobicContact CG2-CG 3.9Å
526	E	66.5	Low	69.8	Low	169 Å²	169	69.1 Å²	69.1	79%	0.79	42%	0.415	S	S	*	.			trans	-77.3	133.4	168.6	-66.9	-166.7	156.5	0	0	110.4	T528	E526-T528 PolarHBondContact O-N 2.82Å
527	C	69.9	Low	69.8	Low	80 Å²	80	70.8 Å²	70.8	54%	0.541	43%	0.433	S	S	.	.			trans	-71.7	120.5	178.6	-59	0	0	0	0	111	C539	C527-C539 HydrophobicContact CB-CB 4.01Å; C527-C539 WeakPolarHBondContact CB-SG 3.21Å; C527-C539 WeakPolarHBondContact SG-CB 3.19Å; C527-C539 CovalentContact SG-SG 2.03Å; C527-C539 PolarHBondContact SG-SG 3.13Å
528	T	66.8	Low	70.2	Confident	74 Å²	74	72.4 Å²	72.4	45%	0.454	44%	0.443	S	S	.	.			trans	-131.1	170.1	178.2	64.9	0	0	0	0	110.8	E526 M530 T531	E526-T528 PolarHBondContact O-N 2.82Å; T528-M530 PolarHBondContact O-N 2.7Å; T528-M530 PolarHBondContact OG1-N 2.58Å; T528-T531 PolarHBondContact N-OG1 2.83Å; T528-T531 PolarHBondContact O-N 2.63Å; T528-T531 PolarHBondContact O-OG1 2.87Å; T528-T531 PolarHBondContact OG1-N 3.32Å
529	D	61.2	Low	70.3	Confident	157 Å²	157	70.2 Å²	70.2	84%	0.84	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-5.9	174.4	-68.7	-16	0	0	0	114.4
530	M	57.9	Low	70.4	Confident	71 Å²	71	64.5 Å²	64.5	35%	0.35	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-16.4	-179.5	-65.2	-64.8	-67.4	0	0	113.9	L412 T528	L412-M530 HydrophobicContact CB-CE 4.4Å; L412-M530 HydrophobicContact CB-SD 3.85Å; L412-M530 HydrophobicContact CD1-SD 4.1Å; T528-M530 PolarHBondContact O-N 2.7Å; T528-M530 PolarHBondContact OG1-N 2.58Å
531	T	72	Confident	70.3	Confident	12 Å²	12	62.5 Å²	62.5	7%	0.074	39%	0.391	C	S	.	.	S	Bend	trans	-87.9	145.3	177.6	48.9	0	0	0	0	111.4	V525 T528 L540	V525-T531 HydrophobicContact CG1-CG2 3.92Å; T528-T531 PolarHBondContact N-OG1 2.83Å; T528-T531 PolarHBondContact O-N 2.63Å; T528-T531 PolarHBondContact O-OG1 2.87Å; T528-T531 PolarHBondContact OG1-N 3.32Å; T531-L540 WeakPolarHBondContact CA-O 3.36Å; T531-L540 VanDerWaalsContact CB-O 3.3Å; T531-L540 WeakPolarHBondContact CB-O 3.31Å
532	Y	77.2	Confident	70.8	Confident	25 Å²	25	62.3 Å²	62.3	10%	0.098	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	150.4	168	-170.5	-96.1	0	0	0	110.4	C539 L540 P545 E546 D558 P689	Y532-C539 CarbonylContact O-C 3.52Å; Y532-C539 VanDerWaalsContact O-CA 3.23Å; Y532-C539 WeakPolarHBondContact O-CA 3.49Å; Y532-L540 HydrophobicContact CD1-CD1 4.15Å; Y532-L540 PolarHBondContact N-O 3.23Å; Y532-L540 PolarHBondContact O-N 3.37Å; Y532-P545 HydrophobicContact CD1-CG 3.81Å; Y532-P545 HydrophobicContact CD2-CG 3.82Å; Y532-P545 HydrophobicContact CE1-CG 4.45Å; Y532-P545 HydrophobicContact CE2-CG 4.46Å; Y532-P545 HydrophobicContact CG-CG 3.45Å; Y532-P545 VanDerWaalsContact CG-CG 3.45Å; Y532-E546 HydrophobicContact CE2-CB 3.84Å; Y532-E546 HydrophobicContact CE2-CG 4.48Å; Y532-E546 WeakPolarHBondContact CE2-OE2 3.36Å; Y532-E546 PolarHBondContact OH-OE2 3.14Å; Y532-E546 VanDerWaalsContact OH-OE2 3.1Å; Y532-D558 HydrophobicContact CE1-CB 4.36Å; Y532-P689 HydrophobicContact CD2-CG 4.5Å; Y532-P689 HydrophobicContact CE2-CB 4.37Å; Y532-P689 HydrophobicContact CE2-CG 4.17Å
533	V	83.7	Confident	71.4	Confident	79 Å²	79	62.6 Å²	62.6	48%	0.479	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	115.5	-177.9	-171.4	0	0	0	0	109.1
534	C	83.6	Confident	72.6	Confident	5 Å²	5	61.4 Å²	61.4	3%	0.034	37%	0.373	C	S	.	.			trans	-69.5	160.6	176.1	-57.6	0	0	0	0	111.2	D536 G537 T538 C553 S557	C534-D536 VanDerWaalsContact C-N 3.26Å; C534-D536 WeakPolarHBondContact CB-OD1 3.29Å; C534-D536 PolarHBondContact O-N 3.33Å; C534-G537 PolarHBondContact O-N 3.18Å; C534-T538 WeakPolarHBondContact CB-OG1 3.49Å; C534-T538 PolarHBondContact N-O 3.24Å; C534-C553 HydrophobicContact CB-CB 3.82Å; C534-C553 WeakPolarHBondContact CB-SG 3.45Å; C534-C553 VanDerWaalsContact SG-CA 3.54Å; C534-C553 WeakPolarHBondContact SG-CB 3.37Å; C534-C553 CovalentContact SG-SG 2.04Å; C534-C553 PolarHBondContact SG-SG 2.99Å; C534-S557 WeakPolarHBondContact CA-OG 3.47Å
535	A	84.1	Confident	73.6	Confident	86 Å²	86	57.7 Å²	57.7	71%	0.711	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-19.1	-176.1	0	0	0	0	0	113.8	G537 D555 S557	A535-G537 VanDerWaalsContact C-N 3.31Å; A535-D555 WeakPolarHBondContact CB-OD2 3.4Å; A535-S557 PolarHBondContact N-OG 3.3Å
536	D	81.1	Confident	74.6	Confident	87 Å²	87	57.7 Å²	57.7	47%	0.465	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-12.5	168.6	80.8	-25.3	0	0	0	114.1	C534 T538 P554 D555	C534-D536 VanDerWaalsContact C-N 3.26Å; C534-D536 WeakPolarHBondContact CB-OD1 3.29Å; C534-D536 PolarHBondContact O-N 3.33Å; D536-T538 WeakPolarHBondContact OD1-CB 3.4Å; D536-T538 PolarHBondContact OD1-N 2.84Å; D536-T538 PolarHBondContact OD1-OG1 2.9Å; D536-T538 WeakPolarHBondContact OD2-CG2 3.46Å; D536-P554 WeakPolarHBondContact OD2-CG 3.16Å; D536-D555 HydrophobicContact CB-CB 4.26Å; D536-D555 PolarHBondContact N-OD2 2.95Å
537	G	78.3	Confident	75.5	Confident	45 Å²	45	50 Å²	50	46%	0.464	30%	0.297	S	S	.	.	S	Bend	trans	93.6	5.6	-177.8	0	0	0	0	0	115.3	C534 A535	C534-G537 PolarHBondContact O-N 3.18Å; A535-G537 VanDerWaalsContact C-N 3.31Å
538	T	79.9	Confident	76	Confident	35 Å²	35	47.9 Å²	47.9	22%	0.215	28%	0.28	C	S	.	.			trans	-72.8	158.1	165.6	57.4	0	0	0	0	111.2	C534 D536 P554	C534-T538 WeakPolarHBondContact CB-OG1 3.49Å; C534-T538 PolarHBondContact N-O 3.24Å; D536-T538 WeakPolarHBondContact OD1-CB 3.4Å; D536-T538 PolarHBondContact OD1-N 2.84Å; D536-T538 PolarHBondContact OD1-OG1 2.9Å; D536-T538 WeakPolarHBondContact OD2-CG2 3.46Å; T538-P554 HydrophobicContact CG2-CG 4.15Å; T538-P554 WeakPolarHBondContact OG1-CD 3.47Å; T538-P554 WeakPolarHBondContact OG1-CG 3.23Å
539	C	78.2	Confident	76.6	Confident	5 Å²	5	48.4 Å²	48.4	3%	0.034	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	140.7	-173.6	-68.6	0	0	0	0	111.4	V525 C527 Y532	V525-C539 VanDerWaalsContact CB-O 3.26Å; V525-C539 WeakPolarHBondContact CB-O 3.46Å; V525-C539 HydrophobicContact CG1-CB 4.11Å; V525-C539 WeakPolarHBondContact CG1-O 3Å; C527-C539 HydrophobicContact CB-CB 4.01Å; C527-C539 WeakPolarHBondContact CB-SG 3.21Å; C527-C539 WeakPolarHBondContact SG-CB 3.19Å; C527-C539 CovalentContact SG-SG 2.03Å; C527-C539 PolarHBondContact SG-SG 3.13Å; Y532-C539 CarbonylContact O-C 3.52Å; Y532-C539 VanDerWaalsContact O-CA 3.23Å; Y532-C539 WeakPolarHBondContact O-CA 3.49Å
540	L	72.7	Confident	77.3	Confident	12 Å²	12	41.9 Å²	41.9	6%	0.063	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	137.3	-175.2	-54.8	174.6	0	0	0	110.6	T531 Y532 P545 D552	T531-L540 WeakPolarHBondContact CA-O 3.36Å; T531-L540 VanDerWaalsContact CB-O 3.3Å; T531-L540 WeakPolarHBondContact CB-O 3.31Å; Y532-L540 HydrophobicContact CD1-CD1 4.15Å; Y532-L540 PolarHBondContact N-O 3.23Å; Y532-L540 PolarHBondContact O-N 3.37Å; L540-P545 HydrophobicContact CD1-CB 4.39Å; L540-P545 HydrophobicContact CD1-CG 4.32Å; L540-D552 HydrophobicContact CD1-CB 3.51Å; L540-D552 HydrophobicContact CD2-CB 4.37Å
541	K	66.4	Low	78.3	Confident	84 Å²	84	40.6 Å²	40.6	37%	0.365	25%	0.249	S	C	.	.			trans	-81.4	-17.8	172.2	-63.6	-166.7	-174.6	-173.1	0	113.6	D471 I473 V525	D471-K541 IonicContact OD2-NZ 2.72Å; D471-K541 PolarHBondContact OD2-NZ 3.31Å; I473-K541 HydrophobicContact CD1-CB 3.5Å; I473-K541 HydrophobicContact CD1-CD 3.2Å; I473-K541 HydrophobicContact CD1-CG 4.04Å; I473-K541 HydrophobicContact CG1-CB 4.45Å; V525-K541 HydrophobicContact CB-CG 4.42Å; V525-K541 HydrophobicContact CG1-CG 3.7Å; V525-K541 HydrophobicContact CG2-CG 3.9Å
542	K	71.3	Confident	78.5	Confident	45 Å²	45	40.8 Å²	40.8	20%	0.196	25%	0.25	C	C	.	.	S	Bend	trans	-60.1	130.1	-179.9	-176.5	-179.1	167.9	-162.6	0	110.1	P545 D548 D552	K542-P545 HydrophobicContact CD-CB 4.17Å; K542-P545 HydrophobicContact CG-CB 4.43Å; K542-P545 WeakPolarHBondContact O-CD 3.47Å; K542-D548 WeakPolarHBondContact CE-OD2 3.24Å; K542-D548 IonicContact NZ-OD1 3.38Å; K542-D548 PolarHBondContact NZ-OD1 3.49Å; K542-D548 VanDerWaalsContact NZ-OD1 3.1Å; K542-D548 IonicContact NZ-OD2 3.93Å; K542-D548 PolarHBondContact NZ-OD2 3.38Å; K542-D552 VanDerWaalsContact CD-CG 3.5Å; K542-D552 VanDerWaalsContact CD-OD1 3.26Å; K542-D552 WeakPolarHBondContact CD-OD1 3.02Å; K542-D552 VanDerWaalsContact CD-OD2 3.26Å; K542-D552 WeakPolarHBondContact CD-OD2 3.25Å; K542-D552 WeakPolarHBondContact CE-OD2 3.44Å; K542-D552 IonicContact NZ-OD1 3.51Å; K542-D552 PolarHBondContact NZ-OD1 3.49Å; K542-D552 IonicContact NZ-OD2 3.88Å; K542-D552 PolarHBondContact NZ-OD2 3.25Å
543	P	71.1	Confident	78.6	Confident	71 Å²	71	39.7 Å²	39.7	46%	0.461	25%	0.246	S	C	.	.	S	Bend	trans	-77.5	139.6	177.1	31.1	-34	0	0	0	111.1
544	N	79.8	Confident	78.3	Confident	30 Å²	30	39.6 Å²	39.6	16%	0.16	25%	0.247	C	C	.	.	S	Bend	trans	50.3	49.6	178.2	-56.8	-8.6	0	0	0	115.7	H692 Q693 E768	N544-H692 PolarHBondContact ND2-CD2 2.92Å; N544-H692 PolarHBondContact ND2-NE2 3.2Å; N544-H692 WeakPolarHBondContact OD1-CA 3.16Å; N544-H692 PolarHBondContact OD1-CD2 3.42Å; N544-Q693 PolarHBondContact ND2-O 2.91Å; N544-Q693 PolarHBondContact OD1-N 2.67Å; N544-E768 PolarHBondContact ND2-OE2 3.36Å
545	P	80.8	Confident	78.2	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.013	26%	0.26	C	S	.	.			trans	-74.9	-23.9	-176.6	32	-35.2	0	0	0	113.7	Y532 L540 K542 C547 D548 D552	Y532-P545 HydrophobicContact CD1-CG 3.81Å; Y532-P545 HydrophobicContact CD2-CG 3.82Å; Y532-P545 HydrophobicContact CE1-CG 4.45Å; Y532-P545 HydrophobicContact CE2-CG 4.46Å; Y532-P545 HydrophobicContact CG-CG 3.45Å; Y532-P545 VanDerWaalsContact CG-CG 3.45Å; L540-P545 HydrophobicContact CD1-CB 4.39Å; L540-P545 HydrophobicContact CD1-CG 4.32Å; K542-P545 HydrophobicContact CD-CB 4.17Å; K542-P545 HydrophobicContact CG-CB 4.43Å; K542-P545 WeakPolarHBondContact O-CD 3.47Å; P545-C547 PolarHBondContact O-N 2.92Å; P545-D548 PolarHBondContact O-N 3.4Å; P545-D552 WeakPolarHBondContact CB-OD2 3.28Å
546	E	84.7	Confident	78.1	Confident	38 Å²	38	39.6 Å²	39.6	18%	0.178	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	113.9	-176.6	-171.3	169	145	0	0	111	Y532 P689 F774	Y532-E546 HydrophobicContact CE2-CB 3.84Å; Y532-E546 HydrophobicContact CE2-CG 4.48Å; Y532-E546 WeakPolarHBondContact CE2-OE2 3.36Å; Y532-E546 PolarHBondContact OH-OE2 3.14Å; Y532-E546 VanDerWaalsContact OH-OE2 3.1Å; E546-P689 HydrophobicContact CB-CG 4.47Å; E546-P689 WeakPolarHBondContact OE2-CG 3.36Å; E546-F774 WeakPolarHBondContact O-CZ 3.2Å
547	C	84.8	Confident	78.4	Confident	6 Å²	6	36.6 Å²	36.6	4%	0.041	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	29.1	178.7	-57.9	0	0	0	0	116.6	P545 S549 D558 E559 C562 R772	P545-C547 PolarHBondContact O-N 2.92Å; C547-S549 VanDerWaalsContact C-N 3.33Å; C547-D558 PolarHBondContact N-O 3.12Å; C547-E559 WeakPolarHBondContact CA-OE1 3.36Å; C547-E559 PolarHBondContact N-OE1 3Å; C547-C562 WeakPolarHBondContact CA-SG 3.46Å; C547-C562 HydrophobicContact CB-CB 3.59Å; C547-C562 WeakPolarHBondContact CB-SG 3.46Å; C547-C562 WeakPolarHBondContact SG-CA 3.18Å; C547-C562 WeakPolarHBondContact SG-CB 3.38Å; C547-C562 CovalentContact SG-SG 2.03Å; C547-C562 PolarHBondContact SG-SG 2.62Å; C547-R772 WeakPolarHBondContact O-CD 3.12Å; C547-R772 VanDerWaalsContact O-CZ 3.3Å; C547-R772 PolarHBondContact O-NE 3.07Å; C547-R772 PolarHBondContact O-NH2 2.88Å; C547-R772 VanDerWaalsContact O-NH2 3.14Å
548	D	80.9	Confident	78.6	Confident	36 Å²	36	34.4 Å²	34.4	19%	0.193	20%	0.202	C	C	.	.	S	Bend	trans	-78.5	-10.2	176.8	99.3	-21.3	0	0	0	115.5	K542 P545 V550 E559 S770	K542-D548 WeakPolarHBondContact CE-OD2 3.24Å; K542-D548 IonicContact NZ-OD1 3.38Å; K542-D548 PolarHBondContact NZ-OD1 3.49Å; K542-D548 VanDerWaalsContact NZ-OD1 3.1Å; K542-D548 IonicContact NZ-OD2 3.93Å; K542-D548 PolarHBondContact NZ-OD2 3.38Å; P545-D548 PolarHBondContact O-N 3.4Å; D548-V550 VanDerWaalsContact OD1-CB 3.3Å; D548-V550 WeakPolarHBondContact OD1-CB 3.3Å; D548-V550 WeakPolarHBondContact OD1-CG2 3.35Å; D548-V550 PolarHBondContact OD1-N 3.47Å; D548-E559 PolarHBondContact N-OE1 3.03Å; D548-S770 VanDerWaalsContact O-CB 3.23Å; D548-S770 WeakPolarHBondContact O-CB 3.42Å
549	S	79.8	Confident	78.9	Confident	85 Å²	85	34.9 Å²	34.9	59%	0.594	20%	0.202	S	C	*	.	S	Bend	trans	89.3	6.8	-175.5	-29.9	0	0	0	0	116.2	C547 E559	C547-S549 VanDerWaalsContact C-N 3.33Å; S549-E559 VanDerWaalsContact CA-CD 3.49Å; S549-E559 WeakPolarHBondContact CA-OE1 3.32Å; S549-E559 PolarHBondContact N-OE1 2.9Å
550	V	75.5	Confident	79	Confident	21 Å²	21	39.4 Å²	39.4	13%	0.127	23%	0.226	C	C	.	.	S	Bend	trans	-106.7	146.5	169.6	-174.6	0	0	0	0	109.1	D507 D548 D552 E559	D507-V550 HydrophobicContact CB-CG1 3.8Å; D548-V550 VanDerWaalsContact OD1-CB 3.3Å; D548-V550 WeakPolarHBondContact OD1-CB 3.3Å; D548-V550 WeakPolarHBondContact OD1-CG2 3.35Å; D548-V550 PolarHBondContact OD1-N 3.47Å; V550-D552 PolarHBondContact O-N 3.39Å; V550-E559 WeakPolarHBondContact O-CG 3.25Å
551	T	79.1	Confident	79.2	Confident	44 Å²	44	49.8 Å²	49.8	27%	0.27	26%	0.264	S	S	.	.			trans	-100.5	79.5	-179.4	-54.6	0	0	0	0	110.4	A556	T551-A556 HydrophobicContact CG2-CB 3.47Å; T551-A556 VanDerWaalsContact CG2-CB 3.47Å
552	D	76	Confident	80	Confident	15 Å²	15	46.8 Å²	46.8	8%	0.08	25%	0.253	C	S	.	.			trans	-76.3	-36.1	-178.3	-47.1	-60.4	0	0	0	112.2	L540 K542 P545 V550 D558	L540-D552 HydrophobicContact CD1-CB 3.51Å; L540-D552 HydrophobicContact CD2-CB 4.37Å; K542-D552 VanDerWaalsContact CD-CG 3.5Å; K542-D552 VanDerWaalsContact CD-OD1 3.26Å; K542-D552 WeakPolarHBondContact CD-OD1 3.02Å; K542-D552 VanDerWaalsContact CD-OD2 3.26Å; K542-D552 WeakPolarHBondContact CD-OD2 3.25Å; K542-D552 WeakPolarHBondContact CE-OD2 3.44Å; K542-D552 IonicContact NZ-OD1 3.51Å; K542-D552 PolarHBondContact NZ-OD1 3.49Å; K542-D552 IonicContact NZ-OD2 3.88Å; K542-D552 PolarHBondContact NZ-OD2 3.25Å; P545-D552 WeakPolarHBondContact CB-OD2 3.28Å; V550-D552 PolarHBondContact O-N 3.39Å; D552-D558 WeakPolarHBondContact CA-OD2 3.47Å; D552-D558 WeakPolarHBondContact CB-OD2 3.43Å; D552-D558 PolarHBondContact N-OD2 3.08Å
553	C	78.6	Confident	80.5	Confident	3 Å²	3	52.5 Å²	52.5	2%	0.02	28%	0.281	C	S	.	.	S	Bend	trans	-75.7	135.3	178.8	-76.2	0	0	0	0	111.2	C534 D555 A556 D558	C534-C553 HydrophobicContact CB-CB 3.82Å; C534-C553 WeakPolarHBondContact CB-SG 3.45Å; C534-C553 VanDerWaalsContact SG-CA 3.54Å; C534-C553 WeakPolarHBondContact SG-CB 3.37Å; C534-C553 CovalentContact SG-SG 2.04Å; C534-C553 PolarHBondContact SG-SG 2.99Å; C553-D555 WeakPolarHBondContact CB-OD1 3.31Å; C553-D555 PolarHBondContact O-N 3.15Å; C553-D555 VanDerWaalsContact O-N 3.13Å; C553-A556 WeakPolarHBondContact O-CA 3.03Å; C553-A556 PolarHBondContact O-N 3.02Å; C553-D558 HydrophobicContact CB-CB 4.27Å; C553-D558 PolarHBondContact N-OD2 3.42Å
554	P	77.9	Confident	81.3	Confident	77 Å²	77	50.1 Å²	50.1	50%	0.5	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-15.8	-179.4	30.4	-38.2	0	0	0	114	T522 D536 T538	T522-P554 HydrophobicContact CG2-CB 3.88Å; T522-P554 HydrophobicContact CG2-CG 3.73Å; D536-P554 WeakPolarHBondContact OD2-CG 3.16Å; T538-P554 HydrophobicContact CG2-CG 4.15Å; T538-P554 WeakPolarHBondContact OG1-CD 3.47Å; T538-P554 WeakPolarHBondContact OG1-CG 3.23Å
555	D	81.6	Confident	81.7	Confident	59 Å²	59	48.7 Å²	48.7	32%	0.316	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	4.3	172.7	72.3	-16.2	0	0	0	113.4	A535 D536 C553 S557	A535-D555 WeakPolarHBondContact CB-OD2 3.4Å; D536-D555 HydrophobicContact CB-CB 4.26Å; D536-D555 PolarHBondContact N-OD2 2.95Å; C553-D555 WeakPolarHBondContact CB-OD1 3.31Å; C553-D555 PolarHBondContact O-N 3.15Å; C553-D555 VanDerWaalsContact O-N 3.13Å; D555-S557 VanDerWaalsContact CG-OG 3.29Å; D555-S557 PolarHBondContact O-N 3.21Å; D555-S557 WeakPolarHBondContact OD1-CB 3.5Å; D555-S557 PolarHBondContact OD1-N 2.98Å; D555-S557 PolarHBondContact OD1-OG 3.41Å; D555-S557 WeakPolarHBondContact OD2-CB 3.44Å; D555-S557 PolarHBondContact OD2-OG 2.87Å
556	A	82.8	Confident	82	Confident	32 Å²	32	52.2 Å²	52.2	26%	0.264	28%	0.276	S	S	.	.			trans	54.5	28.3	-172.9	0	0	0	0	0	114.6	T551 C553 D558 N560	T551-A556 HydrophobicContact CG2-CB 3.47Å; T551-A556 VanDerWaalsContact CG2-CB 3.47Å; C553-A556 WeakPolarHBondContact O-CA 3.03Å; C553-A556 PolarHBondContact O-N 3.02Å; A556-D558 VanDerWaalsContact C-N 3.3Å; A556-D558 WeakPolarHBondContact CA-OD1 3.26Å; A556-D558 PolarHBondContact O-N 3.17Å; A556-N560 PolarHBondContact O-N 3.25Å; A556-N560 PolarHBondContact O-ND2 2.55Å
557	S	86.1	Confident	81.8	Confident	23 Å²	23	53 Å²	53	16%	0.161	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-22.2	-176.5	52.9	0	0	0	0	115	C534 A535 D555	C534-S557 WeakPolarHBondContact CA-OG 3.47Å; A535-S557 PolarHBondContact N-OG 3.3Å; D555-S557 VanDerWaalsContact CG-OG 3.29Å; D555-S557 PolarHBondContact O-N 3.21Å; D555-S557 WeakPolarHBondContact OD1-CB 3.5Å; D555-S557 PolarHBondContact OD1-N 2.98Å; D555-S557 PolarHBondContact OD1-OG 3.41Å; D555-S557 WeakPolarHBondContact OD2-CB 3.44Å; D555-S557 PolarHBondContact OD2-OG 2.87Å
558	D	82.1	Confident	81	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-43.9	172.1	50	-6.6	0	0	0	114.1	Y532 C547 D552 C553 A556	Y532-D558 HydrophobicContact CE1-CB 4.36Å; C547-D558 PolarHBondContact N-O 3.12Å; D552-D558 WeakPolarHBondContact CA-OD2 3.47Å; D552-D558 WeakPolarHBondContact CB-OD2 3.43Å; D552-D558 PolarHBondContact N-OD2 3.08Å; C553-D558 HydrophobicContact CB-CB 4.27Å; C553-D558 PolarHBondContact N-OD2 3.42Å; A556-D558 VanDerWaalsContact C-N 3.3Å; A556-D558 WeakPolarHBondContact CA-OD1 3.26Å; A556-D558 PolarHBondContact O-N 3.17Å
559	E	86.1	Confident	80	Confident	45 Å²	45	67.6 Å²	67.6	21%	0.21	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-2.2	177.5	-77.1	-58.6	127.9	0	0	113.5	C547 D548 S549 V550 R561 C562	C547-E559 WeakPolarHBondContact CA-OE1 3.36Å; C547-E559 PolarHBondContact N-OE1 3Å; D548-E559 PolarHBondContact N-OE1 3.03Å; S549-E559 VanDerWaalsContact CA-CD 3.49Å; S549-E559 WeakPolarHBondContact CA-OE1 3.32Å; S549-E559 PolarHBondContact N-OE1 2.9Å; V550-E559 WeakPolarHBondContact O-CG 3.25Å; E559-R561 PolarHBondContact O-N 2.86Å; E559-C562 VanDerWaalsContact CA-SG 3.57Å; E559-C562 PolarHBondContact O-SG 3.26Å
560	N	82.3	Confident	78.8	Confident	99 Å²	99	65.5 Å²	65.5	53%	0.529	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	122.9	-179.9	-103.9	-70.9	0	0	0	112	A556	A556-N560 PolarHBondContact O-N 3.25Å; A556-N560 PolarHBondContact O-ND2 2.55Å
561	R	76.9	Confident	77.4	Confident	231 Å²	231	70 Å²	70	87%	0.872	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	26.2	175.2	-47	173	-179.5	170.2	2.5	115.9	E559 E563	E559-R561 PolarHBondContact O-N 2.86Å; R561-E563 PolarHBondContact O-N 2.84Å
562	C	81.4	Confident	75.6	Confident	20 Å²	20	77.9 Å²	77.9	14%	0.135	38%	0.379	C	S	.	.			trans	-73	44.2	-178.3	-60.8	0	0	0	0	116	C547 E559 C564 R772	C547-C562 WeakPolarHBondContact CA-SG 3.46Å; C547-C562 HydrophobicContact CB-CB 3.59Å; C547-C562 WeakPolarHBondContact CB-SG 3.46Å; C547-C562 WeakPolarHBondContact SG-CA 3.18Å; C547-C562 WeakPolarHBondContact SG-CB 3.38Å; C547-C562 CovalentContact SG-SG 2.03Å; C547-C562 PolarHBondContact SG-SG 2.62Å; E559-C562 VanDerWaalsContact CA-SG 3.57Å; E559-C562 PolarHBondContact O-SG 3.26Å; C562-C564 VanDerWaalsContact C-N 3.25Å; C562-C564 PolarHBondContact O-N 3.35Å; C562-R772 PolarHBondContact O-NH1 3.34Å
563	E	82.5	Confident	74	Confident	165 Å²	165	82.7 Å²	82.7	77%	0.771	40%	0.404	S	S	*	.			trans	-84.7	12.5	177.9	-59.9	-166.9	146	0	0	113.8	R561	R561-E563 PolarHBondContact O-N 2.84Å
564	C	88.1	Confident	72	Confident	22 Å²	22	87.1 Å²	87.1	15%	0.149	43%	0.43	C	S	.	.	S	Bend	trans	-108.3	164.6	-175.3	64	0	0	0	0	113.3	C562 L566 P684 C686 R772	C562-C564 VanDerWaalsContact C-N 3.25Å; C562-C564 PolarHBondContact O-N 3.35Å; C564-L566 PolarHBondContact O-N 3.08Å; C564-L566 VanDerWaalsContact O-N 3.12Å; C564-P684 CarbonylContact C-O 3.59Å; C564-P684 WeakPolarHBondContact CA-O 3.3Å; C564-P684 HydrophobicContact CB-CG 4.24Å; C564-C686 HydrophobicContact CB-CB 3.97Å; C564-C686 WeakPolarHBondContact CB-SG 3.27Å; C564-C686 PolarHBondContact O-SG 3.21Å; C564-C686 WeakPolarHBondContact SG-CA 3.49Å; C564-C686 WeakPolarHBondContact SG-CB 3.49Å; C564-C686 CovalentContact SG-SG 2.04Å; C564-C686 PolarHBondContact SG-SG 3.33Å; C564-R772 PolarHBondContact O-NH1 3.21Å
565	G	87.5	Confident	70.4	Confident	0 Å²	0	84.6 Å²	84.6	0%	0	42%	0.418	C	S	.	.	S	Bend	trans	69.8	9.6	169.5	0	0	0	0	0	115.1	R567 P684 C686 W773	G565-R567 PolarHBondContact O-N 2.8Å; G565-P684 PolarHBondContact N-O 3.47Å; G565-C686 PolarHBondContact N-SG 3.34Å; G565-W773 VanDerWaalsContact CA-O 3.26Å; G565-W773 WeakPolarHBondContact CA-O 3.14Å; G565-W773 PolarHBondContact O-N 3.47Å
566	L	87	Confident	69.5	Low	75 Å²	75	84.4 Å²	84.4	39%	0.393	43%	0.43	S	S	.	.			trans	-87	106.3	-176.1	-60.9	-179.2	0	0	0	111.8	C564 R683	C564-L566 PolarHBondContact O-N 3.08Å; C564-L566 VanDerWaalsContact O-N 3.12Å; L566-R683 WeakPolarHBondContact O-CD 3.1Å
567	R	82	Confident	69.3	Low	55 Å²	55	84.2 Å²	84.2	21%	0.208	43%	0.427	C	S	.	.			trans	-106.6	135	178.2	177	168.8	173.5	-132.7	-5.1	111.1	G565 E583 W584 W586	G565-R567 PolarHBondContact O-N 2.8Å; R567-E583 WeakPolarHBondContact CD-O 3.23Å; R567-E583 VanDerWaalsContact CG-O 3.3Å; R567-E583 WeakPolarHBondContact CG-O 3.24Å; R567-E583 PolarHBondContact NE-O 2.8Å; R567-E583 IonicContact NH2-OE1 2.86Å; R567-E583 PolarHBondContact NH2-OE1 2.67Å; R567-W584 VanDerWaalsContact CZ-CH2 3.47Å; R567-W584 VanDerWaalsContact CZ-CZ2 3.47Å; R567-W586 HydrophobicContact CB-CH2 3.89Å; R567-W586 HydrophobicContact CB-CZ3 4.31Å
568	Q	67.9	Low	69.3	Low	126 Å²	126	87.4 Å²	87.4	59%	0.589	44%	0.442	S	S	*	.			trans	-75.2	147.1	175.3	-58.8	-168.5	38.7	0	0	110.5	S570	Q568-S570 PolarHBondContact O-N 2.71Å
569	F	58.7	Low	69.5	Low	222 Å²	222	87.7 Å²	87.7	97%	0.974	44%	0.444	S	S	*	.			trans	-59.1	134.6	-170.1	-75.7	-84.4	0	0	0	113.6
570	S	53.9	Low	69.5	Low	41 Å²	41	90.2 Å²	90.2	29%	0.287	46%	0.459	S	S	.	.			trans	-133.2	137.6	176.9	176.6	0	0	0	0	109.9	Q568 E583	Q568-S570 PolarHBondContact O-N 2.71Å; S570-E583 VanDerWaalsContact CB-OE1 3.26Å; S570-E583 WeakPolarHBondContact CB-OE1 3.24Å; S570-E583 PolarHBondContact OG-OE1 3.3Å
571	T	46.3	Very low	69.4	Low	117 Å²	117	90.4 Å²	90.4	72%	0.718	46%	0.457	S	S	*	.			trans	-76.2	136.1	-176.9	45.5	0	0	0	0	111.8	I573	T571-I573 PolarHBondContact O-N 3.33Å
572	R	42.7	Very low	69.5	Low	209 Å²	209	80.7 Å²	80.7	79%	0.789	43%	0.428	S	S	*	.			trans	-70.4	111.7	-170.4	-169.7	-179.8	-169.1	164.9	5.6	112.5	V574	R572-V574 HydrophobicContact CG-CG2 4.25Å
573	I	42.7	Very low	69.7	Low	116 Å²	116	80.3 Å²	80.3	60%	0.595	42%	0.424	S	S	*	.			trans	-118.5	146.5	163.1	-58.8	-179.1	0	0	0	107.5	T571	T571-I573 PolarHBondContact O-N 3.33Å
574	V	36.4	Very low	70.1	Confident	96 Å²	96	72.9 Å²	72.9	58%	0.582	39%	0.389	S	S	*	.			trans	-125	138.8	-168.1	-179.9	0	0	0	0	110.9	R572	R572-V574 HydrophobicContact CG-CG2 4.25Å
575	G	44.2	Very low	70.2	Confident	23 Å²	23	72 Å²	72	24%	0.237	38%	0.384	C	S	.	.	S	Bend	trans	103	148.4	-166.8	0	0	0	0	0	110.9	S577 D722	G575-S577 WeakPolarHBondContact O-CB 3.37Å; G575-S577 PolarHBondContact O-N 2.91Å; G575-S577 VanDerWaalsContact O-N 3.14Å; G575-S577 PolarHBondContact O-OG 3.2Å; G575-D722 PolarHBondContact N-OD1 2.66Å
576	G	61.5	Low	70.4	Confident	56 Å²	56	72 Å²	72	58%	0.577	38%	0.384	S	S	*	.	S	Bend	trans	-53.9	120	-178.4	0	0	0	0	0	110.6	K720	G576-K720 WeakPolarHBondContact CA-O 3.34Å
577	S	78.3	Confident	70.8	Confident	27 Å²	27	68.6 Å²	68.6	19%	0.189	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	162.1	-166.6	42	0	0	0	0	111.6	G575 K720	G575-S577 WeakPolarHBondContact O-CB 3.37Å; G575-S577 PolarHBondContact O-N 2.91Å; G575-S577 VanDerWaalsContact O-N 3.14Å; G575-S577 PolarHBondContact O-OG 3.2Å; S577-K720 PolarHBondContact N-O 3.39Å; S577-K720 VanDerWaalsContact N-O 3.15Å; S577-K720 WeakPolarHBondContact O-CG 3.34Å; S577-K720 PolarHBondContact O-N 3.33Å
578	D	85.9	Confident	71.3	Confident	91 Å²	91	66 Å²	66	49%	0.487	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	134.4	173.6	-63.6	-27.5	0	0	0	110.4	V717 Q719 K720	D578-V717 HydrophobicContact CB-CG1 3.9Å; D578-Q719 PolarHBondContact OD1-NE2 2.76Å; D578-K720 VanDerWaalsContact O-CE 3.25Å; D578-K720 WeakPolarHBondContact O-CE 3.21Å
579	A	86.8	Confident	72.6	Confident	5 Å²	5	60 Å²	60	4%	0.041	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-72.9	152.6	169.3	0	0	0	0	0	110.9	E583 L633 L718 K720	A579-E583 WeakPolarHBondContact CA-OE2 3.31Å; A579-L633 WeakPolarHBondContact O-CD1 3.34Å; A579-L718 HydrophobicContact CB-CB 4.09Å; A579-L718 HydrophobicContact CB-CD2 3.82Å; A579-L718 HydrophobicContact CB-CG 3.79Å; A579-L718 WeakPolarHBondContact CB-O 3.47Å; A579-L718 PolarHBondContact N-O 3.01Å; A579-K720 HydrophobicContact CB-CD 4.38Å; A579-K720 HydrophobicContact CB-CG 4.5Å
580	L	85.5	Confident	74.3	Confident	99 Å²	99	49.4 Å²	49.4	52%	0.518	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-85.2	156.7	170.9	-56.5	177.7	0	0	0	110.4	G582 E583	L580-G582 PolarHBondContact O-N 3.04Å; L580-E583 HydrophobicContact CB-CB 4.09Å; L580-E583 PolarHBondContact N-OE2 3.45Å; L580-E583 WeakPolarHBondContact O-CB 3.47Å; L580-E583 PolarHBondContact O-N 2.86Å; L580-E583 VanDerWaalsContact O-N 3.08Å
581	E	81.6	Confident	76.2	Confident	103 Å²	103	47.9 Å²	47.9	48%	0.481	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	126.9	178.4	-166.1	161.4	-154	0	0	110.5	E583 L633 S639 I641	E581-E583 VanDerWaalsContact C-N 3.27Å; E581-E583 PolarHBondContact O-N 2.71Å; E581-L633 HydrophobicContact CB-CD2 3.9Å; E581-L633 HydrophobicContact CG-CD2 4.4Å; E581-S639 WeakPolarHBondContact OE1-CB 3.38Å; E581-S639 PolarHBondContact OE1-OG 3.45Å; E581-I641 HydrophobicContact CG-CD1 3.47Å; E581-I641 VanDerWaalsContact CG-CD1 3.47Å; E581-I641 HydrophobicContact CG-CG1 4.18Å
582	G	79.3	Confident	78.2	Confident	26 Å²	26	43.4 Å²	43.4	27%	0.268	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	3.1	-174.2	0	0	0	0	0	116.4	L580 W584	L580-G582 PolarHBondContact O-N 3.04Å; G582-W584 VanDerWaalsContact C-N 3.31Å; G582-W584 PolarHBondContact O-N 2.88Å
583	E	85.8	Confident	80.3	Confident	12 Å²	12	44.7 Å²	44.7	6%	0.056	25%	0.247	C	C	.	.	S	Bend	trans	-67.3	-27.3	-173.7	-173.3	175.5	-160.7	0	0	114.5	R567 S570 A579 L580 E581 K720	R567-E583 WeakPolarHBondContact CD-O 3.23Å; R567-E583 VanDerWaalsContact CG-O 3.3Å; R567-E583 WeakPolarHBondContact CG-O 3.24Å; R567-E583 PolarHBondContact NE-O 2.8Å; R567-E583 IonicContact NH2-OE1 2.86Å; R567-E583 PolarHBondContact NH2-OE1 2.67Å; S570-E583 VanDerWaalsContact CB-OE1 3.26Å; S570-E583 WeakPolarHBondContact CB-OE1 3.24Å; S570-E583 PolarHBondContact OG-OE1 3.3Å; A579-E583 WeakPolarHBondContact CA-OE2 3.31Å; L580-E583 HydrophobicContact CB-CB 4.09Å; L580-E583 PolarHBondContact N-OE2 3.45Å; L580-E583 WeakPolarHBondContact O-CB 3.47Å; L580-E583 PolarHBondContact O-N 2.86Å; L580-E583 VanDerWaalsContact O-N 3.08Å; E581-E583 VanDerWaalsContact C-N 3.27Å; E581-E583 PolarHBondContact O-N 2.71Å; E583-K720 IonicContact OE1-NZ 3.22Å; E583-K720 PolarHBondContact OE1-NZ 2.98Å; E583-K720 WeakPolarHBondContact OE2-CD 3.49Å; E583-K720 IonicContact OE2-NZ 3.39Å; E583-K720 PolarHBondContact OE2-NZ 2.86Å
584	W	90.3	Very high	82.3	Confident	9 Å²	9	41.6 Å²	41.6	3%	0.034	24%	0.244	C	C	.	.	S	Bend	trans	-129.6	77.9	-177.1	-62.3	104.7	0	0	0	109.4	R567 G582 W586 Q587 W701 T703 K720 V765 W773	R567-W584 VanDerWaalsContact CZ-CH2 3.47Å; R567-W584 VanDerWaalsContact CZ-CZ2 3.47Å; G582-W584 VanDerWaalsContact C-N 3.31Å; G582-W584 PolarHBondContact O-N 2.88Å; W584-W586 AromaticContact CE3-CZ2 3.63Å; W584-W586 HydrophobicContact CE3-CZ2 3.63Å; W584-W586 AromaticContact CE3-NE1 3.99Å; W584-W586 AromaticContact CZ3-CZ2 3.92Å; W584-W586 HydrophobicContact CZ3-CZ2 3.92Å; W584-W586 PolarHBondContact O-N 3Å; W584-W586 VanDerWaalsContact O-N 3.12Å; W584-Q587 HydrophobicContact CB-CB 4.15Å; W584-Q587 VanDerWaalsContact O-CB 3.24Å; W584-Q587 WeakPolarHBondContact O-CB 3.46Å; W584-Q587 PolarHBondContact O-N 3.37Å; W584-W701 HydrophobicContact CH2-CB 3.46Å; W584-W701 VanDerWaalsContact CH2-CB 3.46Å; W584-W701 AromaticContact CH2-CD2 3.85Å; W584-W701 HydrophobicContact CH2-CD2 3.85Å; W584-W701 HydrophobicContact CH2-CE3 4.33Å; W584-W701 AromaticContact CH2-CG 3.48Å; W584-W701 HydrophobicContact CH2-CG 3.48Å; W584-W701 VanDerWaalsContact CH2-CG 3.48Å; W584-W701 HydrophobicContact CZ2-CB 3.99Å; W584-W701 AromaticContact CZ2-CD2 3.8Å; W584-W701 HydrophobicContact CZ2-CD2 3.8Å; W584-W701 AromaticContact CZ2-CE3 3.81Å; W584-W701 HydrophobicContact CZ2-CE3 3.81Å; W584-W701 AromaticContact CZ2-CG 3.91Å; W584-W701 HydrophobicContact CZ2-CG 3.91Å; W584-W701 HydrophobicContact CZ3-CB 4.16Å; W584-T703 HydrophobicContact CB-CG2 4.44Å; W584-T703 HydrophobicContact CD2-CG2 3.76Å; W584-T703 HydrophobicContact CE3-CG2 4.49Å; W584-T703 HydrophobicContact CG-CG2 3.71Å; W584-T703 HydrophobicContact CZ2-CG2 4.35Å; W584-K720 HydrophobicContact CZ2-CB 4.48Å; W584-V765 HydrophobicContact CE3-CG2 4.27Å; W584-V765 HydrophobicContact CZ3-CG2 3.82Å; W584-W773 HydrophobicContact CH2-CE3 4.36Å; W584-W773 AromaticContact CH2-CH2 3.72Å; W584-W773 HydrophobicContact CH2-CH2 3.72Å; W584-W773 HydrophobicContact CH2-CZ2 4.39Å; W584-W773 AromaticContact CH2-CZ3 3.7Å; W584-W773 HydrophobicContact CH2-CZ3 3.7Å; W584-W773 HydrophobicContact CZ3-CD2 4.34Å; W584-W773 AromaticContact CZ3-CE3 3.84Å; W584-W773 HydrophobicContact CZ3-CE3 3.84Å; W584-W773 AromaticContact CZ3-CH2 4Å; W584-W773 HydrophobicContact CZ3-CH2 4Å; W584-W773 HydrophobicContact CZ3-CZ2 4.47Å; W584-W773 AromaticContact CZ3-CZ3 3.65Å; W584-W773 HydrophobicContact CZ3-CZ3 3.65Å
585	P	89.1	Confident	84.8	Confident	5 Å²	5	41.3 Å²	41.3	3%	0.032	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-8.9	-162.6	30.1	-37.5	0	0	0	114.6	H681 A682 R683	P585-H681 VanDerWaalsContact CB-O 3.27Å; P585-H681 WeakPolarHBondContact CB-O 3.35Å; P585-A682 WeakPolarHBondContact O-CA 3.05Å; P585-R683 CarbonylContact C-O 3.45Å; P585-R683 VanDerWaalsContact C-O 3.26Å; P585-R683 HydrophobicContact CB-CB 3.96Å; P585-R683 HydrophobicContact CB-CG 4.31Å; P585-R683 HydrophobicContact CG-CB 4.03Å; P585-R683 PolarHBondContact O-N 3.39Å
586	W	92.8	Very high	87	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-9.8	171.2	44.4	80.5	0	0	0	113.7	R567 W584 T588 A601 L602 R683 A685 V765 W773	R567-W586 HydrophobicContact CB-CH2 3.89Å; R567-W586 HydrophobicContact CB-CZ3 4.31Å; W584-W586 AromaticContact CE3-CZ2 3.63Å; W584-W586 HydrophobicContact CE3-CZ2 3.63Å; W584-W586 AromaticContact CE3-NE1 3.99Å; W584-W586 AromaticContact CZ3-CZ2 3.92Å; W584-W586 HydrophobicContact CZ3-CZ2 3.92Å; W584-W586 PolarHBondContact O-N 3Å; W584-W586 VanDerWaalsContact O-N 3.12Å; W586-T588 PolarHBondContact O-N 2.98Å; W586-A601 CarbonylContact O-C 3.44Å; W586-A601 WeakPolarHBondContact O-CA 3.42Å; W586-L602 HydrophobicContact CB-CB 4.31Å; W586-L602 PolarHBondContact O-N 3.19Å; W586-R683 WeakPolarHBondContact CA-O 3.39Å; W586-R683 VanDerWaalsContact CB-O 3.31Å; W586-R683 WeakPolarHBondContact CB-O 3.21Å; W586-R683 PolarHBondContact N-O 2.91Å; W586-A685 HydrophobicContact CB-CB 4.02Å; W586-A685 HydrophobicContact CD2-CB 3.89Å; W586-A685 HydrophobicContact CE3-CB 4.23Å; W586-A685 HydrophobicContact CG-CB 3.8Å; W586-V765 HydrophobicContact CZ2-CG1 4.48Å; W586-V765 HydrophobicContact CZ2-CG2 4.14Å; W586-W773 HydrophobicContact CH2-CB 3.35Å; W586-W773 AromaticContact CH2-CD1 3.94Å; W586-W773 HydrophobicContact CH2-CD2 4.18Å; W586-W773 AromaticContact CH2-CG 3.51Å; W586-W773 HydrophobicContact CH2-CG 3.51Å; W586-W773 HydrophobicContact CZ2-CB 3.73Å; W586-W773 HydrophobicContact CZ2-CD2 4.19Å; W586-W773 HydrophobicContact CZ2-CE3 4.4Å; W586-W773 AromaticContact CZ2-CG 3.91Å; W586-W773 HydrophobicContact CZ2-CG 3.91Å; W586-W773 HydrophobicContact CZ3-CB 4.16Å
587	Q	94.2	Very high	88.3	Confident	3 Å²	3	42.2 Å²	42.2	1%	0.014	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	127.5	-179.9	-174.8	71.7	14.7	0	0	110.3	W584 T703 W705 L718	W584-Q587 HydrophobicContact CB-CB 4.15Å; W584-Q587 VanDerWaalsContact O-CB 3.24Å; W584-Q587 WeakPolarHBondContact O-CB 3.46Å; W584-Q587 PolarHBondContact O-N 3.37Å; Q587-T703 PolarHBondContact NE2-O 2.85Å; Q587-T703 PolarHBondContact OE1-O 2.94Å; Q587-T703 PolarHBondContact OE1-OG1 3.13Å; Q587-W705 HydrophobicContact CG-CH2 3.74Å; Q587-W705 HydrophobicContact CG-CZ3 3.86Å; Q587-L718 HydrophobicContact CB-CD2 4.47Å; Q587-L718 HydrophobicContact CG-CD1 3.8Å; Q587-L718 HydrophobicContact CG-CD2 4.05Å
588	T	94.3	Very high	89.1	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	146.4	173.4	71.4	0	0	0	0	111.8	W586 G599 G600 L602 V608 V628 Y629 L630	W586-T588 PolarHBondContact O-N 2.98Å; T588-G599 WeakPolarHBondContact O-CA 3.23Å; T588-G600 PolarHBondContact N-O 3.08Å; T588-G600 PolarHBondContact O-N 3.46Å; T588-G600 WeakPolarHBondContact OG1-CA 3.43Å; T588-G600 PolarHBondContact OG1-N 2.81Å; T588-G600 PolarHBondContact OG1-O 2.87Å; T588-L602 HydrophobicContact CG2-CB 4.48Å; T588-V608 HydrophobicContact CG2-CG1 4.15Å; T588-V608 HydrophobicContact CG2-CG2 4.04Å; T588-V628 HydrophobicContact CG2-CG1 4.12Å; T588-Y629 CarbonylContact C-O 3.56Å; T588-Y629 VanDerWaalsContact CA-O 3.25Å; T588-Y629 WeakPolarHBondContact CA-O 3.18Å; T588-L630 HydrophobicContact CG2-CD2 3.61Å; T588-L630 HydrophobicContact CG2-CG 4.19Å
589	S	94.3	Very high	89.5	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	114.8	168.8	-179.2	0	0	0	0	108	Q591 H596 Y629	S589-Q591 PolarHBondContact OG-NE2 3.47Å; S589-H596 PolarHBondContact OG-ND1 2.71Å; S589-Y629 PolarHBondContact N-O 2.75Å; S589-Y629 PolarHBondContact O-N 3.22Å
590	L	94.7	Very high	89.9	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	120.8	177.3	-50.5	-175.5	0	0	0	108.8	I597 C598 G599 V608 S610 F615 W626 V628 L668	L590-I597 PolarHBondContact O-N 2.57Å; L590-C598 WeakPolarHBondContact CA-O 3.26Å; L590-C598 VanDerWaalsContact CB-O 3.24Å; L590-C598 WeakPolarHBondContact CB-O 3.26Å; L590-C598 HydrophobicContact CD1-CB 4.44Å; L590-C598 PolarHBondContact N-O 2.83Å; L590-G599 VanDerWaalsContact CD1-O 3.31Å; L590-G599 WeakPolarHBondContact CD1-O 3.21Å; L590-V608 HydrophobicContact CD2-CG1 4.47Å; L590-S610 WeakPolarHBondContact CD1-OG 3.43Å; L590-F615 HydrophobicContact CD1-CE1 4.26Å; L590-F615 HydrophobicContact CD1-CZ 3.7Å; L590-W626 HydrophobicContact CB-CE3 3.92Å; L590-W626 HydrophobicContact CB-CZ3 3.68Å; L590-V628 HydrophobicContact CD2-CB 4.28Å; L590-V628 HydrophobicContact CD2-CG1 3.95Å; L590-V628 HydrophobicContact CD2-CG2 3.85Å; L590-L668 HydrophobicContact CD1-CD2 4.11Å; L590-L668 HydrophobicContact CD2-CD2 4.19Å
591	Q	93	Very high	90.5	Very high	9 Å²	9	31.9 Å²	31.9	4%	0.042	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	141	-169.9	-52.6	-162	-1.5	0	0	112.7	S589 G594 T595 T627 Y629	S589-Q591 PolarHBondContact OG-NE2 3.47Å; Q591-G594 PolarHBondContact OE1-O 2.6Å; Q591-T595 CarbonylContact C-O 3.51Å; Q591-T595 WeakPolarHBondContact CA-O 3.25Å; Q591-T595 WeakPolarHBondContact CB-O 2.79Å; Q591-T627 PolarHBondContact N-O 3.18Å; Q591-T627 PolarHBondContact O-N 3.05Å; Q591-Y629 HydrophobicContact CB-CD2 4.2Å; Q591-Y629 HydrophobicContact CB-CE2 3.99Å; Q591-Y629 HydrophobicContact CG-CD2 3.69Å; Q591-Y629 HydrophobicContact CG-CE2 3.86Å
592	V	89.6	Confident	91.1	Very high	22 Å²	22	27.1 Å²	27.1	13%	0.133	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	122.4	170.7	175.9	0	0	0	0	107.7	G594 T595 I597 V625 W626	V592-G594 PolarHBondContact O-N 3.42Å; V592-G594 VanDerWaalsContact O-N 3.11Å; V592-T595 PolarHBondContact N-O 2.64Å; V592-T595 PolarHBondContact O-N 3.16Å; V592-I597 HydrophobicContact CB-CG1 4.02Å; V592-I597 HydrophobicContact CG2-CG1 3.98Å; V592-V625 HydrophobicContact CG1-CB 4.35Å; V592-V625 HydrophobicContact CG1-CG2 4.29Å; V592-V625 HydrophobicContact CG2-CG2 4.33Å; V592-W626 HydrophobicContact CG2-CD2 3.65Å; V592-W626 HydrophobicContact CG2-CE3 3.68Å; V592-W626 HydrophobicContact CG2-CG 4.33Å; V592-W626 HydrophobicContact CG2-CH2 3.9Å; V592-W626 HydrophobicContact CG2-CZ2 3.83Å; V592-W626 HydrophobicContact CG2-CZ3 3.82Å
593	R	85.8	Confident	91.8	Very high	236 Å²	236	26.6 Å²	26.6	89%	0.891	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	26.4	-177.7	-57.4	177.6	-177.2	173.1	3.1	115
594	G	84.4	Confident	92	Very high	52 Å²	52	27.6 Å²	27.6	54%	0.536	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.8	6	-178	0	0	0	0	0	115	Q591 V592	Q591-G594 PolarHBondContact OE1-O 2.6Å; V592-G594 PolarHBondContact O-N 3.42Å; V592-G594 VanDerWaalsContact O-N 3.11Å
595	T	88.6	Confident	91.8	Very high	89 Å²	89	29.5 Å²	29.5	55%	0.546	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	130.6	170.7	-57.3	0	0	0	0	109.3	Q591 V592 I597	Q591-T595 CarbonylContact C-O 3.51Å; Q591-T595 WeakPolarHBondContact CA-O 3.25Å; Q591-T595 WeakPolarHBondContact CB-O 2.79Å; V592-T595 PolarHBondContact N-O 2.64Å; V592-T595 PolarHBondContact O-N 3.16Å; T595-I597 HydrophobicContact CG2-CD1 4.29Å
596	H	91.1	Very high	91.9	Very high	24 Å²	24	31.8 Å²	31.8	11%	0.111	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	130.1	171.7	178.6	63.5	0	0	0	111.2	S589 C598 L635 W705 G758	S589-H596 PolarHBondContact OG-ND1 2.71Å; H596-C598 PolarHBondContact CE1-O 3.29Å; H596-C598 PolarHBondContact ND1-O 2.79Å; H596-L635 HydrophobicContact CB-CD1 3.97Å; H596-L635 HydrophobicContact CB-CD2 4Å; H596-W705 AromaticContact CE1-CE3 3.65Å; H596-W705 AromaticContact NE2-CE3 3.81Å; H596-G758 PolarHBondContact NE2-O 2.94Å
597	I	89.9	Confident	92	Very high	74 Å²	74	32.5 Å²	32.5	38%	0.379	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	-49.7	179.7	-52.5	-59.3	0	0	0	110.8	L590 V592 T595 W626	L590-I597 PolarHBondContact O-N 2.57Å; V592-I597 HydrophobicContact CB-CG1 4.02Å; V592-I597 HydrophobicContact CG2-CG1 3.98Å; T595-I597 HydrophobicContact CG2-CD1 4.29Å; I597-W626 HydrophobicContact CB-CH2 3.86Å; I597-W626 HydrophobicContact CB-CZ3 3.97Å; I597-W626 HydrophobicContact CG1-CH2 4.22Å; I597-W626 HydrophobicContact CG1-CZ3 4.26Å; I597-W626 HydrophobicContact CG2-CH2 3.85Å; I597-W626 HydrophobicContact CG2-CZ3 4.46Å
598	C	93.4	Very high	92.1	Very high	5 Å²	5	32.4 Å²	32.4	3%	0.034	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	158.1	-177.6	-76.8	0	0	0	0	111.6	L590 H596 C614 S760	L590-C598 WeakPolarHBondContact CA-O 3.26Å; L590-C598 VanDerWaalsContact CB-O 3.24Å; L590-C598 WeakPolarHBondContact CB-O 3.26Å; L590-C598 HydrophobicContact CD1-CB 4.44Å; L590-C598 PolarHBondContact N-O 2.83Å; H596-C598 PolarHBondContact CE1-O 3.29Å; H596-C598 PolarHBondContact ND1-O 2.79Å; C598-C614 HydrophobicContact CB-CB 3.82Å; C598-C614 WeakPolarHBondContact CB-SG 3.39Å; C598-C614 WeakPolarHBondContact SG-CB 3.37Å; C598-C614 CovalentContact SG-SG 2.03Å; C598-C614 PolarHBondContact SG-SG 2.7Å; C598-S760 CarbonylContact C-O 3.45Å; C598-S760 WeakPolarHBondContact CA-O 3.47Å; C598-S760 WeakPolarHBondContact CB-O 3.28Å
599	G	95	Very high	92.2	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.01	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	177	163.6	0	0	0	0	0	112.8	T588 L590 S610 S760 G761	T588-G599 WeakPolarHBondContact O-CA 3.23Å; L590-G599 VanDerWaalsContact CD1-O 3.31Å; L590-G599 WeakPolarHBondContact CD1-O 3.21Å; G599-S610 PolarHBondContact O-OG 2.9Å; G599-S760 PolarHBondContact N-O 2.83Å; G599-G761 CarbonylContact C-O 3.58Å; G599-G761 CarbonylContact O-C 3.51Å
600	G	96.3	Very high	92.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	159.1	172.5	0	0	0	0	0	111	T588 A609 G761	T588-G600 PolarHBondContact N-O 3.08Å; T588-G600 PolarHBondContact O-N 3.46Å; T588-G600 WeakPolarHBondContact OG1-CA 3.43Å; T588-G600 PolarHBondContact OG1-N 2.81Å; T588-G600 PolarHBondContact OG1-O 2.87Å; G600-A609 CarbonylContact C-O 3.58Å; G600-A609 WeakPolarHBondContact CA-O 3.43Å; G600-G761 VanDerWaalsContact CA-O 3.29Å; G600-G761 WeakPolarHBondContact CA-O 3.26Å; G600-G761 PolarHBondContact N-O 3.02Å
601	A	96.4	Very high	92.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	123.8	177.8	0	0	0	0	0	110.7	W586 I603 V608 A609 P763 L775	W586-A601 CarbonylContact O-C 3.44Å; W586-A601 WeakPolarHBondContact O-CA 3.42Å; A601-I603 HydrophobicContact CB-CG2 4.47Å; A601-I603 PolarHBondContact O-N 3.35Å; A601-V608 CarbonylContact O-C 3.51Å; A601-V608 VanDerWaalsContact O-CA 3.3Å; A601-V608 WeakPolarHBondContact O-CA 3.34Å; A601-A609 PolarHBondContact N-O 3.33Å; A601-A609 PolarHBondContact O-N 2.81Å; A601-P763 HydrophobicContact CB-CB 3.98Å; A601-P763 HydrophobicContact CB-CG 4.46Å; A601-L775 HydrophobicContact CB-CD1 3.81Å; A601-L775 HydrophobicContact CB-CD2 3.95Å
602	L	94.3	Very high	92.3	Very high	3 Å²	3	32 Å²	32	2%	0.016	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	123.1	165.9	-168.9	71.8	0	0	0	108.6	W586 T588 S604 V608 L630 L670 P684 A685	W586-L602 HydrophobicContact CB-CB 4.31Å; W586-L602 PolarHBondContact O-N 3.19Å; T588-L602 HydrophobicContact CG2-CB 4.48Å; L602-S604 WeakPolarHBondContact CD1-O 3.22Å; L602-S604 WeakPolarHBondContact CG-O 3.48Å; L602-V608 HydrophobicContact CD1-CG2 3.73Å; L602-L630 HydrophobicContact CB-CD2 4.24Å; L602-L630 HydrophobicContact CD1-CD2 4.25Å; L602-L630 HydrophobicContact CD2-CD2 3.98Å; L602-L630 HydrophobicContact CG-CD2 4.39Å; L602-L670 HydrophobicContact CD1-CD1 4.41Å; L602-P684 HydrophobicContact CG-CB 4.32Å; L602-P684 CarbonylContact O-C 3.47Å; L602-P684 WeakPolarHBondContact O-CA 3.22Å; L602-A685 PolarHBondContact O-N 3.32Å
603	I	93.7	Very high	92.3	Very high	15 Å²	15	33.3 Å²	33.3	8%	0.077	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	-16.2	-178.4	57.8	163.3	0	0	0	113.2	A601 W607 A609 L667 L775 I804 I808	A601-I603 HydrophobicContact CB-CG2 4.47Å; A601-I603 PolarHBondContact O-N 3.35Å; I603-W607 HydrophobicContact CG1-CB 4.18Å; I603-W607 WeakPolarHBondContact CG1-O 3.4Å; I603-W607 PolarHBondContact N-O 2.88Å; I603-A609 HydrophobicContact CD1-CB 4.26Å; I603-A609 HydrophobicContact CG2-CB 4Å; I603-L667 HydrophobicContact CD1-CD2 3.66Å; I603-L775 HydrophobicContact CG2-CD2 3.72Å; I603-I804 HydrophobicContact CD1-CG2 3.72Å; I603-I808 HydrophobicContact CD1-CD1 3.81Å
604	S	89.9	Confident	92.5	Very high	32 Å²	32	22.5 Å²	22.5	22%	0.224	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	177.9	164	70.9	0	0	0	0	109.1	L602 Q606 W607	L602-S604 WeakPolarHBondContact CD1-O 3.22Å; L602-S604 WeakPolarHBondContact CG-O 3.48Å; S604-Q606 PolarHBondContact O-N 3.09Å; S604-W607 PolarHBondContact N-O 3.09Å; S604-W607 PolarHBondContact O-N 3.13Å; S604-W607 WeakPolarHBondContact OG-CB 3.18Å
605	S	87	Confident	92.6	Very high	50 Å²	50	20 Å²	20	35%	0.35	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-20.4	-175.1	58.6	0	0	0	0	115.6	P673 A674	S605-P673 CarbonylContact O-C 3.44Å; S605-P673 VanDerWaalsContact O-CA 3.24Å; S605-P673 WeakPolarHBondContact O-CA 3.04Å; S605-A674 PolarHBondContact O-N 3.45Å
606	Q	90.8	Very high	91.8	Very high	52 Å²	52	20.7 Å²	20.7	24%	0.243	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.7	8.5	178.7	-157.5	178.8	-15.6	0	0	113.6	S604 L670 P673	S604-Q606 PolarHBondContact O-N 3.09Å; Q606-L670 HydrophobicContact CG-CB 4.03Å; Q606-L670 WeakPolarHBondContact CG-O 3.25Å; Q606-L670 PolarHBondContact NE2-O 2.92Å; Q606-L670 PolarHBondContact O-N 2.77Å; Q606-P673 HydrophobicContact CB-CB 4.36Å; Q606-P673 HydrophobicContact CB-CG 4.45Å; Q606-P673 HydrophobicContact CG-CG 4.33Å
607	W	94.3	Very high	90.8	Very high	16 Å²	16	24.1 Å²	24.1	6%	0.061	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	131.3	-175.5	-64.6	91.3	0	0	0	113	I603 S604 H651 L667 L668 K669 V807 I808	I603-W607 HydrophobicContact CG1-CB 4.18Å; I603-W607 WeakPolarHBondContact CG1-O 3.4Å; I603-W607 PolarHBondContact N-O 2.88Å; S604-W607 PolarHBondContact N-O 3.09Å; S604-W607 PolarHBondContact O-N 3.13Å; S604-W607 WeakPolarHBondContact OG-CB 3.18Å; W607-H651 AromaticContact CH2-CD2 4Å; W607-H651 AromaticContact CZ3-CD2 3.75Å; W607-L667 HydrophobicContact CE3-CB 4.04Å; W607-L667 HydrophobicContact CZ3-CB 4.09Å; W607-L668 WeakPolarHBondContact CA-O 3.26Å; W607-K669 HydrophobicContact CD2-CB 4.36Å; W607-K669 HydrophobicContact CD2-CG 4.32Å; W607-K669 HydrophobicContact CE3-CB 3.97Å; W607-K669 HydrophobicContact CE3-CG 4.38Å; W607-K669 HydrophobicContact CH2-CB 3.98Å; W607-K669 HydrophobicContact CH2-CD 3.74Å; W607-K669 HydrophobicContact CH2-CG 3.99Å; W607-K669 HydrophobicContact CZ2-CB 4.32Å; W607-K669 HydrophobicContact CZ2-CD 3.66Å; W607-K669 HydrophobicContact CZ2-CG 3.85Å; W607-K669 HydrophobicContact CZ3-CB 3.77Å; W607-K669 HydrophobicContact CZ3-CD 4.41Å; W607-K669 HydrophobicContact CZ3-CG 4.23Å; W607-V807 HydrophobicContact CH2-CG1 3.78Å; W607-V807 HydrophobicContact CZ3-CG1 3.8Å; W607-I808 HydrophobicContact CB-CD1 4.48Å; W607-I808 HydrophobicContact CB-CG1 4.49Å; W607-I808 HydrophobicContact CD2-CG1 3.97Å; W607-I808 HydrophobicContact CE3-CG1 4.5Å; W607-I808 HydrophobicContact CG-CD1 4.44Å; W607-I808 HydrophobicContact CG-CG1 3.98Å
608	V	96.4	Very high	89.2	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	132.4	174.9	174.2	0	0	0	0	109.5	T588 L590 A601 L602 V628 L667 L668 L670	T588-V608 HydrophobicContact CG2-CG1 4.15Å; T588-V608 HydrophobicContact CG2-CG2 4.04Å; L590-V608 HydrophobicContact CD2-CG1 4.47Å; A601-V608 CarbonylContact O-C 3.51Å; A601-V608 VanDerWaalsContact O-CA 3.3Å; A601-V608 WeakPolarHBondContact O-CA 3.34Å; L602-V608 HydrophobicContact CD1-CG2 3.73Å; V608-V628 HydrophobicContact CG2-CG1 4.24Å; V608-L667 WeakPolarHBondContact O-CA 3.49Å; V608-L668 HydrophobicContact CB-CB 4.36Å; V608-L668 PolarHBondContact N-O 2.71Å; V608-L668 VanDerWaalsContact N-O 3.08Å; V608-L668 PolarHBondContact O-N 3.27Å; V608-L670 HydrophobicContact CG2-CD1 4.34Å; V608-L670 HydrophobicContact CG2-CD2 4.25Å
609	A	97.8	Very high	87.6	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	143.1	168.5	0	0	0	0	0	111	G600 A601 I603 L665 A666 L667 L775	G600-A609 CarbonylContact C-O 3.58Å; G600-A609 WeakPolarHBondContact CA-O 3.43Å; A601-A609 PolarHBondContact N-O 3.33Å; A601-A609 PolarHBondContact O-N 2.81Å; I603-A609 HydrophobicContact CD1-CB 4.26Å; I603-A609 HydrophobicContact CG2-CB 4Å; A609-L665 HydrophobicContact CB-CD1 4.42Å; A609-A666 WeakPolarHBondContact CA-O 3.26Å; A609-L667 HydrophobicContact CB-CD2 3.94Å; A609-L775 HydrophobicContact CB-CD2 4.36Å
610	S	96.9	Very high	86.2	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	-178.2	174.1	-171.7	0	0	0	0	109.6	L590 G599 L665 A666 G761	L590-S610 WeakPolarHBondContact CD1-OG 3.43Å; G599-S610 PolarHBondContact O-OG 2.9Å; S610-L665 CarbonylContact O-C 3.52Å; S610-A666 PolarHBondContact N-O 3.48Å; S610-A666 PolarHBondContact O-N 2.86Å; S610-G761 WeakPolarHBondContact OG-CA 3.49Å
611	A	95.4	Very high	84.9	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.204	C	C	.	.			trans	-82.3	142.6	178.4	0	0	0	0	0	111	H613 C614 F615 V778	A611-H613 VanDerWaalsContact C-N 3.32Å; A611-H613 WeakPolarHBondContact CB-ND1 3.44Å; A611-H613 PolarHBondContact O-N 3.45Å; A611-C614 WeakPolarHBondContact O-CB 3.18Å; A611-C614 PolarHBondContact O-N 3.03Å; A611-F615 WeakPolarHBondContact O-CD2 3.34Å; A611-F615 WeakPolarHBondContact O-CE2 3.5Å; A611-V778 HydrophobicContact CB-CG1 4.2Å
612	A	91.8	Very high	84.1	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-66.3	-33.3	179.1	0	0	0	0	0	113	C614 F615 Y616 L652 Y656 D664	A612-C614 PolarHBondContact O-N 3.33Å; A612-C614 VanDerWaalsContact O-N 3.1Å; A612-F615 PolarHBondContact O-N 3.22Å; A612-Y616 PolarHBondContact O-N 3.36Å; A612-L652 HydrophobicContact CB-CD2 3.83Å; A612-Y656 HydrophobicContact CB-CD1 3.64Å; A612-Y656 HydrophobicContact CB-CD2 3.57Å; A612-Y656 HydrophobicContact CB-CE1 4.04Å; A612-Y656 HydrophobicContact CB-CE2 3.97Å; A612-Y656 HydrophobicContact CB-CG 3.39Å; A612-D664 WeakPolarHBondContact CA-OD1 3.25Å; A612-D664 WeakPolarHBondContact CB-OD1 3.42Å; A612-D664 PolarHBondContact N-OD1 2.9Å
613	H	89.4	Confident	83.6	Confident	51 Å²	51	43.1 Å²	43.1	24%	0.236	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-59	-24	178.6	76.2	-106	0	0	0	113.4	A611 F615 Y656 D664 S760 S780	A611-H613 VanDerWaalsContact C-N 3.32Å; A611-H613 WeakPolarHBondContact CB-ND1 3.44Å; A611-H613 PolarHBondContact O-N 3.45Å; H613-F615 VanDerWaalsContact C-N 3.25Å; H613-F615 PolarHBondContact O-N 3.02Å; H613-Y656 WeakPolarHBondContact CA-OH 3.33Å; H613-Y656 WeakPolarHBondContact CB-OH 3.29Å; H613-D664 IonicContact CE1-OD2 2.65Å; H613-D664 IonicContact CG-OD1 3.82Å; H613-D664 IonicContact CG-OD2 2.66Å; H613-D664 PolarHBondContact N-OD1 3.15Å; H613-D664 IonicContact ND1-OD1 2.75Å; H613-D664 PolarHBondContact ND1-OD1 2.93Å; H613-D664 IonicContact ND1-OD2 3.18Å; H613-D664 PolarHBondContact ND1-OD2 3.07Å; H613-S760 WeakPolarHBondContact NE2-CB 3.41Å; H613-S760 PolarHBondContact NE2-OG 2.89Å; H613-S780 PolarHBondContact CE1-O 3.28Å
614	C	90.3	Very high	83.2	Confident	9 Å²	9	47.3 Å²	47.3	6%	0.061	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-65.9	-21.3	176.1	-62.7	0	0	0	0	114.2	C598 A611 A612 W626	C598-C614 HydrophobicContact CB-CB 3.82Å; C598-C614 WeakPolarHBondContact CB-SG 3.39Å; C598-C614 WeakPolarHBondContact SG-CB 3.37Å; C598-C614 CovalentContact SG-SG 2.03Å; C598-C614 PolarHBondContact SG-SG 2.7Å; A611-C614 WeakPolarHBondContact O-CB 3.18Å; A611-C614 PolarHBondContact O-N 3.03Å; A612-C614 PolarHBondContact O-N 3.33Å; A612-C614 VanDerWaalsContact O-N 3.1Å; C614-W626 VanDerWaalsContact O-CZ2 3.28Å; C614-W626 WeakPolarHBondContact O-CZ2 3.32Å
615	F	86.6	Confident	83.1	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-124.3	5.8	-173.4	-38.9	-84.7	0	0	0	113.9	L590 A611 A612 H613 W626 I650 L652 A666 L668	L590-F615 HydrophobicContact CD1-CE1 4.26Å; L590-F615 HydrophobicContact CD1-CZ 3.7Å; A611-F615 WeakPolarHBondContact O-CD2 3.34Å; A611-F615 WeakPolarHBondContact O-CE2 3.5Å; A612-F615 PolarHBondContact O-N 3.22Å; H613-F615 VanDerWaalsContact C-N 3.25Å; H613-F615 PolarHBondContact O-N 3.02Å; F615-W626 HydrophobicContact CD1-CD2 4.14Å; F615-W626 AromaticContact CD1-CE2 3.49Å; F615-W626 VanDerWaalsContact CD1-CE2 3.49Å; F615-W626 HydrophobicContact CD1-CH2 4.08Å; F615-W626 AromaticContact CD1-CZ2 3.48Å; F615-W626 HydrophobicContact CD1-CZ2 3.48Å; F615-W626 VanDerWaalsContact CD1-CZ2 3.48Å; F615-W626 AromaticContact CD1-NE1 3.73Å; F615-W626 AromaticContact CE1-CD2 3.93Å; F615-W626 HydrophobicContact CE1-CD2 3.93Å; F615-W626 AromaticContact CE1-CE2 3.73Å; F615-W626 HydrophobicContact CE1-CE3 4.1Å; F615-W626 AromaticContact CE1-CH2 3.88Å; F615-W626 HydrophobicContact CE1-CH2 3.88Å; F615-W626 AromaticContact CE1-CZ2 3.72Å; F615-W626 HydrophobicContact CE1-CZ2 3.72Å; F615-W626 HydrophobicContact CE1-CZ3 4.07Å; F615-W626 HydrophobicContact CG-CZ2 4.5Å; F615-I650 HydrophobicContact CB-CG2 4.15Å; F615-I650 HydrophobicContact CD1-CD1 3.9Å; F615-I650 HydrophobicContact CD1-CG2 4.35Å; F615-I650 HydrophobicContact CD2-CG2 4.28Å; F615-I650 HydrophobicContact CG-CD1 4.46Å; F615-I650 HydrophobicContact CG-CG2 3.99Å; F615-L652 HydrophobicContact CB-CD2 4.08Å; F615-L652 HydrophobicContact CD2-CD2 3.96Å; F615-L652 HydrophobicContact CG-CD2 4.44Å; F615-A666 HydrophobicContact CD2-CB 3.72Å; F615-A666 HydrophobicContact CE2-CB 3.62Å; F615-L668 HydrophobicContact CE1-CD2 3.94Å; F615-L668 HydrophobicContact CE2-CD1 4.08Å; F615-L668 HydrophobicContact CZ-CD1 3.76Å; F615-L668 HydrophobicContact CZ-CD2 3.88Å; F615-L668 HydrophobicContact CZ-CG 4.23Å
616	Y	71.8	Confident	83.4	Confident	102 Å²	102	45.8 Å²	45.8	40%	0.4	25%	0.25	S	C	.	.			trans	-75.8	-24.5	-169.9	-176.5	-108.1	0	0	0	114.7	A612 Y656 S658	A612-Y616 PolarHBondContact O-N 3.36Å; Y616-Y656 AromaticContact CD2-CD1 3.87Å; Y616-Y656 HydrophobicContact CD2-CD1 3.87Å; Y616-Y656 AromaticContact CD2-CE1 3.55Å; Y616-Y656 HydrophobicContact CD2-CE1 3.55Å; Y616-Y656 HydrophobicContact CE2-CD1 4.34Å; Y616-Y656 HydrophobicContact CE2-CE1 4.17Å; Y616-Y656 AromaticContact CG-CE1 3.77Å; Y616-Y656 HydrophobicContact CG-CE1 3.77Å; Y616-S658 WeakPolarHBondContact CE1-OG 3.41Å
617	D	69.3	Low	83.5	Confident	97 Å²	97	45.2 Å²	45.2	52%	0.519	25%	0.249	S	C	.	.	S	Bend	trans	-76.2	130.5	177.6	179.7	-52.4	0	0	0	110.7	S619 V620 Y621	D617-S619 PolarHBondContact O-N 2.87Å; D617-S619 WeakPolarHBondContact OD1-CB 3.41Å; D617-S619 PolarHBondContact OD1-N 2.86Å; D617-S619 PolarHBondContact OD1-OG 3.37Å; D617-V620 HydrophobicContact CB-CG2 4.06Å; D617-V620 WeakPolarHBondContact O-CG2 3.35Å; D617-V620 PolarHBondContact O-N 3.44Å; D617-Y621 PolarHBondContact O-N 3.34Å
618	D	57.4	Low	83.5	Confident	151 Å²	151	44.4 Å²	44.4	81%	0.807	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-29.7	-178.7	-75.5	-43.1	0	0	0	113.5	V620	D618-V620 VanDerWaalsContact C-N 3.29Å; D618-V620 PolarHBondContact O-N 3.47Å
619	S	58.2	Low	83.2	Confident	91 Å²	91	46.8 Å²	46.8	64%	0.636	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-17.4	179.3	71	0	0	0	0	114.2	D617	D617-S619 PolarHBondContact O-N 2.87Å; D617-S619 WeakPolarHBondContact OD1-CB 3.41Å; D617-S619 PolarHBondContact OD1-N 2.86Å; D617-S619 PolarHBondContact OD1-OG 3.37Å
620	V	65.8	Low	82.8	Confident	32 Å²	32	46.9 Å²	46.9	19%	0.194	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	-7	178.8	-62.6	0	0	0	0	114.3	D617 D618 S622 W626	D617-V620 HydrophobicContact CB-CG2 4.06Å; D617-V620 WeakPolarHBondContact O-CG2 3.35Å; D617-V620 PolarHBondContact O-N 3.44Å; D618-V620 VanDerWaalsContact C-N 3.29Å; D618-V620 PolarHBondContact O-N 3.47Å; V620-S622 PolarHBondContact O-N 3.14Å; V620-W626 HydrophobicContact CB-CZ2 4.06Å; V620-W626 HydrophobicContact CG2-CZ2 4.37Å; V620-W626 PolarHBondContact O-NE1 3.04Å
621	Y	69.9	Low	82.3	Confident	119 Å²	119	47.3 Å²	47.3	47%	0.467	26%	0.26	S	S	.	.			trans	-59.2	-21.7	178.4	-175.1	-104.3	0	0	0	114.4	D617 P623 L652	D617-Y621 PolarHBondContact O-N 3.34Å; Y621-P623 WeakPolarHBondContact O-CD 3.35Å; Y621-L652 HydrophobicContact CD2-CD1 4.16Å; Y621-L652 HydrophobicContact CE2-CD1 3.85Å; Y621-L652 HydrophobicContact CE2-CG 4.16Å
622	S	78.9	Confident	81.9	Confident	54 Å²	54	47.9 Å²	47.9	38%	0.378	26%	0.263	S	S	.	.			trans	-70	122.1	179.7	-172.7	0	0	0	0	112.9	V620 S624 V625	V620-S622 PolarHBondContact O-N 3.14Å; S622-S624 PolarHBondContact O-N 3.39Å; S622-S624 PolarHBondContact OG-OG 3.33Å; S622-V625 WeakPolarHBondContact O-CG2 3.37Å; S622-V625 PolarHBondContact O-N 2.74Å
623	P	84.3	Confident	81.7	Confident	35 Å²	35	49.2 Å²	49.2	23%	0.227	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-54.8	-29.2	175.7	-27.1	35.4	0	0	0	113.9	Y621 V625 W626 V647 I650	Y621-P623 WeakPolarHBondContact O-CD 3.35Å; P623-V625 VanDerWaalsContact C-N 3.27Å; P623-V625 PolarHBondContact O-N 2.8Å; P623-W626 PolarHBondContact O-N 2.86Å; P623-V647 HydrophobicContact CB-CB 4.19Å; P623-V647 HydrophobicContact CB-CG1 4.11Å; P623-V647 WeakPolarHBondContact CB-O 3.46Å; P623-I650 HydrophobicContact CB-CD1 4.41Å; P623-I650 HydrophobicContact CB-CG1 4.37Å; P623-I650 HydrophobicContact CG-CD1 4.24Å; P623-I650 HydrophobicContact CG-CG1 4.12Å
624	S	84.8	Confident	81.7	Confident	103 Å²	103	49 Å²	49	72%	0.72	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-65.7	-17.5	-177.1	69.1	0	0	0	0	115.9	S622	S622-S624 PolarHBondContact O-N 3.39Å; S622-S624 PolarHBondContact OG-OG 3.33Å
625	V	88.9	Confident	81.6	Confident	45 Å²	45	50.5 Å²	50.5	27%	0.273	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-92.1	-11.3	176.9	-54.1	0	0	0	0	113.4	V592 S622 P623	V592-V625 HydrophobicContact CG1-CB 4.35Å; V592-V625 HydrophobicContact CG1-CG2 4.29Å; V592-V625 HydrophobicContact CG2-CG2 4.33Å; S622-V625 WeakPolarHBondContact O-CG2 3.37Å; S622-V625 PolarHBondContact O-N 2.74Å; P623-V625 VanDerWaalsContact C-N 3.27Å; P623-V625 PolarHBondContact O-N 2.8Å
626	W	92.1	Very high	81.6	Confident	5 Å²	5	55.9 Å²	55.9	2%	0.019	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	138.7	-175.1	-71.5	93.6	0	0	0	112.9	L590 V592 I597 C614 F615 V620 P623 V647 I650	L590-W626 HydrophobicContact CB-CE3 3.92Å; L590-W626 HydrophobicContact CB-CZ3 3.68Å; V592-W626 HydrophobicContact CG2-CD2 3.65Å; V592-W626 HydrophobicContact CG2-CE3 3.68Å; V592-W626 HydrophobicContact CG2-CG 4.33Å; V592-W626 HydrophobicContact CG2-CH2 3.9Å; V592-W626 HydrophobicContact CG2-CZ2 3.83Å; V592-W626 HydrophobicContact CG2-CZ3 3.82Å; I597-W626 HydrophobicContact CB-CH2 3.86Å; I597-W626 HydrophobicContact CB-CZ3 3.97Å; I597-W626 HydrophobicContact CG1-CH2 4.22Å; I597-W626 HydrophobicContact CG1-CZ3 4.26Å; I597-W626 HydrophobicContact CG2-CH2 3.85Å; I597-W626 HydrophobicContact CG2-CZ3 4.46Å; C614-W626 VanDerWaalsContact O-CZ2 3.28Å; C614-W626 WeakPolarHBondContact O-CZ2 3.32Å; F615-W626 HydrophobicContact CD1-CD2 4.14Å; F615-W626 AromaticContact CD1-CE2 3.49Å; F615-W626 VanDerWaalsContact CD1-CE2 3.49Å; F615-W626 HydrophobicContact CD1-CH2 4.08Å; F615-W626 AromaticContact CD1-CZ2 3.48Å; F615-W626 HydrophobicContact CD1-CZ2 3.48Å; F615-W626 VanDerWaalsContact CD1-CZ2 3.48Å; F615-W626 AromaticContact CD1-NE1 3.73Å; F615-W626 AromaticContact CE1-CD2 3.93Å; F615-W626 HydrophobicContact CE1-CD2 3.93Å; F615-W626 AromaticContact CE1-CE2 3.73Å; F615-W626 HydrophobicContact CE1-CE3 4.1Å; F615-W626 AromaticContact CE1-CH2 3.88Å; F615-W626 HydrophobicContact CE1-CH2 3.88Å; F615-W626 AromaticContact CE1-CZ2 3.72Å; F615-W626 HydrophobicContact CE1-CZ2 3.72Å; F615-W626 HydrophobicContact CE1-CZ3 4.07Å; F615-W626 HydrophobicContact CG-CZ2 4.5Å; V620-W626 HydrophobicContact CB-CZ2 4.06Å; V620-W626 HydrophobicContact CG2-CZ2 4.37Å; V620-W626 PolarHBondContact O-NE1 3.04Å; P623-W626 PolarHBondContact O-N 2.86Å; W626-V647 HydrophobicContact CB-CB 4.25Å; W626-V647 HydrophobicContact CB-CG2 3.55Å; W626-I650 HydrophobicContact CG-CD1 4.43Å
627	T	92.9	Very high	82.2	Confident	39 Å²	39	59.5 Å²	59.5	24%	0.239	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	131.4	170.9	-56.6	0	0	0	0	108.9	Q591 Y629 V644	Q591-T627 PolarHBondContact N-O 3.18Å; Q591-T627 PolarHBondContact O-N 3.05Å; T627-Y629 HydrophobicContact CG2-CD2 4.04Å; T627-Y629 HydrophobicContact CG2-CE2 3.46Å; T627-Y629 VanDerWaalsContact CG2-CE2 3.46Å; T627-V644 HydrophobicContact CG2-CG1 3.29Å
628	V	93.7	Very high	82.6	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	124.8	178.8	-175.8	0	0	0	0	108.2	T588 L590 V608 V644 A645 V647 L668 L670	T588-V628 HydrophobicContact CG2-CG1 4.12Å; L590-V628 HydrophobicContact CD2-CB 4.28Å; L590-V628 HydrophobicContact CD2-CG1 3.95Å; L590-V628 HydrophobicContact CD2-CG2 3.85Å; V608-V628 HydrophobicContact CG2-CG1 4.24Å; V628-V644 WeakPolarHBondContact O-CA 3.21Å; V628-A645 HydrophobicContact CB-CB 4.44Å; V628-A645 PolarHBondContact N-O 3.25Å; V628-A645 PolarHBondContact O-N 2.82Å; V628-V647 HydrophobicContact CG2-CG2 3.74Å; V628-L668 HydrophobicContact CG2-CD2 4.46Å; V628-L670 HydrophobicContact CB-CD2 4.05Å; V628-L670 HydrophobicContact CG1-CD2 4.26Å; V628-L670 HydrophobicContact CG2-CD2 3.69Å
629	Y	91.8	Very high	83.5	Confident	50 Å²	50	54.4 Å²	54.4	20%	0.196	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	127.8	173.5	-69.6	-103.9	0	0	0	110	T588 S589 Q591 T627 K632 E643 V644	T588-Y629 CarbonylContact C-O 3.56Å; T588-Y629 VanDerWaalsContact CA-O 3.25Å; T588-Y629 WeakPolarHBondContact CA-O 3.18Å; S589-Y629 PolarHBondContact N-O 2.75Å; S589-Y629 PolarHBondContact O-N 3.22Å; Q591-Y629 HydrophobicContact CB-CD2 4.2Å; Q591-Y629 HydrophobicContact CB-CE2 3.99Å; Q591-Y629 HydrophobicContact CG-CD2 3.69Å; Q591-Y629 HydrophobicContact CG-CE2 3.86Å; T627-Y629 HydrophobicContact CG2-CD2 4.04Å; T627-Y629 HydrophobicContact CG2-CE2 3.46Å; T627-Y629 VanDerWaalsContact CG2-CE2 3.46Å; Y629-K632 HydrophobicContact CD1-CD 3.96Å; Y629-K632 HydrophobicContact CG-CD 4.01Å; Y629-E643 WeakPolarHBondContact CA-O 3.2Å; Y629-V644 HydrophobicContact CD1-CG1 4.46Å; Y629-V644 HydrophobicContact CD1-CG2 3.74Å; Y629-V644 HydrophobicContact CE1-CB 4.48Å; Y629-V644 HydrophobicContact CE1-CG1 4.08Å; Y629-V644 HydrophobicContact CE1-CG2 3.59Å; Y629-V644 HydrophobicContact CE2-CG1 4.45Å
630	L	89.6	Confident	84.2	Confident	1 Å²	1	56 Å²	56	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	148.8	-179.3	-79.4	153.6	0	0	0	109.8	T588 L602 K632 E642 E643 A674 A682	T588-L630 HydrophobicContact CG2-CD2 3.61Å; T588-L630 HydrophobicContact CG2-CG 4.19Å; L602-L630 HydrophobicContact CB-CD2 4.24Å; L602-L630 HydrophobicContact CD1-CD2 4.25Å; L602-L630 HydrophobicContact CD2-CD2 3.98Å; L602-L630 HydrophobicContact CG-CD2 4.39Å; L630-K632 PolarHBondContact O-N 3.34Å; L630-K632 VanDerWaalsContact O-N 3.14Å; L630-E642 WeakPolarHBondContact O-CA 3.45Å; L630-E643 HydrophobicContact CB-CB 4.05Å; L630-E643 HydrophobicContact CD1-CG 4.31Å; L630-E643 PolarHBondContact N-O 2.97Å; L630-E643 PolarHBondContact O-N 3.15Å; L630-E643 VanDerWaalsContact O-N 3.09Å; L630-A674 HydrophobicContact CD1-CB 4.05Å; L630-A682 HydrophobicContact CB-CB 4.3Å; L630-A682 HydrophobicContact CD2-CB 4.21Å
631	G	85.3	Confident	84.4	Confident	9 Å²	9	55.9 Å²	55.9	9%	0.093	31%	0.312	C	S	.	.	S	Bend	trans	66.8	10	179.7	0	0	0	0	0	115	I641	G631-I641 WeakPolarHBondContact O-CD1 3.19Å
632	K	87.4	Confident	84.9	Confident	12 Å²	12	51.6 Å²	51.6	5%	0.052	30%	0.296	C	S	.	.			trans	-75.3	137.9	-174.2	-167.8	151.8	-169	62.5	0	111.8	Y629 L630 L634 R637 E642 W705	Y629-K632 HydrophobicContact CD1-CD 3.96Å; Y629-K632 HydrophobicContact CG-CD 4.01Å; L630-K632 PolarHBondContact O-N 3.34Å; L630-K632 VanDerWaalsContact O-N 3.14Å; K632-L634 WeakPolarHBondContact CE-O 3.42Å; K632-L634 PolarHBondContact NZ-O 2.86Å; K632-R637 PolarHBondContact NZ-O 3.49Å; K632-E642 HydrophobicContact CB-CG 4.18Å; K632-E642 HydrophobicContact CG-CG 4.35Å; K632-E642 IonicContact NZ-OE1 3.22Å; K632-E642 PolarHBondContact NZ-OE1 3.22Å; K632-E642 IonicContact NZ-OE2 2.83Å; K632-E642 PolarHBondContact NZ-OE2 2.84Å; K632-W705 HydrophobicContact CB-CH2 4.44Å; K632-W705 HydrophobicContact CB-CZ2 4.19Å; K632-W705 HydrophobicContact CG-CZ2 4.32Å; K632-W705 WeakPolarHBondContact O-CZ2 3.22Å
633	L	87.2	Confident	85.1	Confident	29 Å²	29	49.6 Å²	49.6	15%	0.152	28%	0.281	C	S	.	.			trans	-113	-50.8	173	173	57.7	0	0	0	111.6	A579 E581 W705 V717 L718	A579-L633 WeakPolarHBondContact O-CD1 3.34Å; E581-L633 HydrophobicContact CB-CD2 3.9Å; E581-L633 HydrophobicContact CG-CD2 4.4Å; L633-W705 PolarHBondContact O-NE1 3.43Å; L633-V717 HydrophobicContact CD1-CG1 3.88Å; L633-L718 HydrophobicContact CD1-CB 3.93Å; L633-L718 PolarHBondContact O-N 3Å
634	L	89.6	Confident	85.3	Confident	45 Å²	45	50.8 Å²	50.8	24%	0.236	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-102.5	133.5	-177.8	-59.3	179.3	0	0	0	110.6	K632 R637 N716 V717	K632-L634 WeakPolarHBondContact CE-O 3.42Å; K632-L634 PolarHBondContact NZ-O 2.86Å; L634-R637 HydrophobicContact CB-CB 4.28Å; L634-R637 HydrophobicContact CD1-CB 4.23Å; L634-R637 HydrophobicContact CD1-CG 4.5Å; L634-R637 VanDerWaalsContact O-O 3.06Å; L634-N716 CarbonylContact C-O 3.48Å; L634-N716 VanDerWaalsContact CA-O 3.26Å; L634-N716 WeakPolarHBondContact CA-O 3.46Å; L634-V717 HydrophobicContact CD2-CB 4.3Å; L634-V717 HydrophobicContact CD2-CG1 4.25Å; L634-V717 HydrophobicContact CD2-CG2 3.81Å
635	L	87.9	Confident	85.5	Confident	41 Å²	41	45.9 Å²	45.9	22%	0.215	25%	0.254	C	S	.	.	S	Bend	trans	-68.3	-44.9	174.5	-66.8	-173.5	0	0	0	111.8	H596 R637 W705 N715 N716	H596-L635 HydrophobicContact CB-CD1 3.97Å; H596-L635 HydrophobicContact CB-CD2 4Å; L635-R637 PolarHBondContact O-N 3.06Å; L635-W705 HydrophobicContact CD1-CB 3.94Å; L635-W705 HydrophobicContact CD1-CG 4.08Å; L635-W705 HydrophobicContact CD2-CB 4.39Å; L635-W705 HydrophobicContact CD2-CD2 3.87Å; L635-W705 HydrophobicContact CD2-CG 3.77Å; L635-W705 HydrophobicContact CG-CB 4.31Å; L635-W705 HydrophobicContact CG-CD2 4.49Å; L635-W705 HydrophobicContact CG-CG 3.89Å; L635-N715 WeakPolarHBondContact CD1-O 3.44Å; L635-N716 PolarHBondContact N-O 3.21Å; L635-N716 PolarHBondContact N-OD1 2.86Å
636	N	86.8	Confident	85.6	Confident	113 Å²	113	51.8 Å²	51.8	60%	0.604	27%	0.271	S	S	*	.	S	Bend	trans	-86.3	5	-171.4	72.7	-1	0	0	0	116.6	N716	N636-N716 WeakPolarHBondContact CB-OD1 3.48Å; N636-N716 VanDerWaalsContact CG-CG 3.44Å; N636-N716 VanDerWaalsContact CG-ND2 3.3Å; N636-N716 PolarHBondContact N-OD1 3.14Å; N636-N716 PolarHBondContact ND2-ND2 3.47Å; N636-N716 PolarHBondContact ND2-OD1 2.7Å; N636-N716 PolarHBondContact OD1-ND2 2.82Å; N636-N716 PolarHBondContact OD1-OD1 2.89Å; N636-N716 VanDerWaalsContact OD1-OD1 3.12Å
637	R	83.7	Confident	85.7	Confident	178 Å²	178	52 Å²	52	67%	0.672	27%	0.273	S	S	*	.	S	Bend	trans	-139.6	156.4	177.4	-70.4	-179.8	-177.1	-179.4	0.3	109.3	K632 L634 L635	K632-R637 PolarHBondContact NZ-O 3.49Å; L634-R637 HydrophobicContact CB-CB 4.28Å; L634-R637 HydrophobicContact CD1-CB 4.23Å; L634-R637 HydrophobicContact CD1-CG 4.5Å; L634-R637 VanDerWaalsContact O-O 3.06Å; L635-R637 PolarHBondContact O-N 3.06Å
638	S	78.9	Confident	85.7	Confident	103 Å²	103	55.1 Å²	55.1	72%	0.72	29%	0.285	S	S	*	.			trans	-106.2	127.9	168.3	53.8	0	0	0	0	110.5	E642	S638-E642 WeakPolarHBondContact CA-OE1 3.17Å; S638-E642 WeakPolarHBondContact CA-OE2 3.36Å
639	S	75.3	Confident	85.5	Confident	38 Å²	38	58.6 Å²	58.6	27%	0.266	30%	0.301	S	S	.	.			trans	-83.7	163.4	167.6	-170.9	0	0	0	0	112	E581 I641 E642	E581-S639 WeakPolarHBondContact OE1-CB 3.38Å; E581-S639 PolarHBondContact OE1-OG 3.45Å; S639-I641 PolarHBondContact O-N 3.12Å; S639-E642 PolarHBondContact N-OE1 2.94Å; S639-E642 PolarHBondContact O-N 2.99Å
640	S	72.5	Confident	85.5	Confident	125 Å²	125	56.8 Å²	56.8	87%	0.874	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-8.5	172.7	54	0	0	0	0	113.8
641	I	72	Confident	85.4	Confident	30 Å²	30	59.5 Å²	59.5	15%	0.154	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-2.4	174.9	68.9	150.2	0	0	0	113.5	E581 G631 S639 E643 H681	E581-I641 HydrophobicContact CG-CD1 3.47Å; E581-I641 VanDerWaalsContact CG-CD1 3.47Å; E581-I641 HydrophobicContact CG-CG1 4.18Å; G631-I641 WeakPolarHBondContact O-CD1 3.19Å; S639-I641 PolarHBondContact O-N 3.12Å; I641-E643 PolarHBondContact O-N 2.77Å; I641-H681 HydrophobicContact CB-CB 4.09Å; I641-H681 HydrophobicContact CD1-CB 4.08Å
642	E	80.3	Confident	85.4	Confident	28 Å²	28	60.9 Å²	60.9	13%	0.131	31%	0.312	C	S	.	.			trans	-78.4	122.8	-178.7	-75.6	179.7	-152.6	0	0	111.6	L630 K632 S638 S639	L630-E642 WeakPolarHBondContact O-CA 3.45Å; K632-E642 HydrophobicContact CB-CG 4.18Å; K632-E642 HydrophobicContact CG-CG 4.35Å; K632-E642 IonicContact NZ-OE1 3.22Å; K632-E642 PolarHBondContact NZ-OE1 3.22Å; K632-E642 IonicContact NZ-OE2 2.83Å; K632-E642 PolarHBondContact NZ-OE2 2.84Å; S638-E642 WeakPolarHBondContact CA-OE1 3.17Å; S638-E642 WeakPolarHBondContact CA-OE2 3.36Å; S639-E642 PolarHBondContact N-OE1 2.94Å; S639-E642 PolarHBondContact O-N 2.99Å
643	E	81.7	Confident	85	Confident	12 Å²	12	60.9 Å²	60.9	6%	0.056	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	143.8	167.1	173.3	170.9	-159.2	0	0	110.3	Y629 L630 I641 L677	Y629-E643 WeakPolarHBondContact CA-O 3.2Å; L630-E643 HydrophobicContact CB-CB 4.05Å; L630-E643 HydrophobicContact CD1-CG 4.31Å; L630-E643 PolarHBondContact N-O 2.97Å; L630-E643 PolarHBondContact O-N 3.15Å; L630-E643 VanDerWaalsContact O-N 3.09Å; I641-E643 PolarHBondContact O-N 2.77Å; E643-L677 HydrophobicContact CB-CD1 4.25Å; E643-L677 HydrophobicContact CG-CD1 3.96Å
644	V	88.3	Confident	84.2	Confident	61 Å²	61	62.8 Å²	62.8	37%	0.37	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	119.5	178.6	-170	0	0	0	0	109.1	T627 V628 Y629 R672	T627-V644 HydrophobicContact CG2-CG1 3.29Å; V628-V644 WeakPolarHBondContact O-CA 3.21Å; Y629-V644 HydrophobicContact CD1-CG1 4.46Å; Y629-V644 HydrophobicContact CD1-CG2 3.74Å; Y629-V644 HydrophobicContact CE1-CB 4.48Å; Y629-V644 HydrophobicContact CE1-CG1 4.08Å; Y629-V644 HydrophobicContact CE1-CG2 3.59Å; Y629-V644 HydrophobicContact CE2-CG1 4.45Å; V644-R672 PolarHBondContact O-NH2 3.38Å
645	A	89.7	Confident	83	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	151.5	175.6	0	0	0	0	0	111	V628 L670	V628-A645 HydrophobicContact CB-CB 4.44Å; V628-A645 PolarHBondContact N-O 3.25Å; V628-A645 PolarHBondContact O-N 2.82Å; A645-L670 HydrophobicContact CB-CB 4.34Å; A645-L670 HydrophobicContact CB-CD1 4.14Å; A645-L670 HydrophobicContact CB-CD2 4.06Å; A645-L670 HydrophobicContact CB-CG 4.41Å
646	R	92.1	Very high	82.4	Confident	169 Å²	169	60.7 Å²	60.7	64%	0.638	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.6	158.2	170.1	-60.1	177.7	175.7	143.3	-2.5	109.6	L670 D671	R646-L670 CarbonylContact O-C 3.21Å; R646-L670 WeakPolarHBondContact O-CA 3.16Å; R646-D671 HydrophobicContact CB-CB 4.04Å; R646-D671 PolarHBondContact N-OD1 3.01Å; R646-D671 PolarHBondContact O-N 3.2Å
647	V	93.3	Very high	81.3	Confident	10 Å²	10	56 Å²	56	6%	0.061	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	122.5	175.1	-168.6	0	0	0	0	109.5	P623 W626 V628 Q649 I650 L668	P623-V647 HydrophobicContact CB-CB 4.19Å; P623-V647 HydrophobicContact CB-CG1 4.11Å; P623-V647 WeakPolarHBondContact CB-O 3.46Å; W626-V647 HydrophobicContact CB-CB 4.25Å; W626-V647 HydrophobicContact CB-CG2 3.55Å; V628-V647 HydrophobicContact CG2-CG2 3.74Å; V647-Q649 VanDerWaalsContact CG1-O 3.24Å; V647-Q649 WeakPolarHBondContact CG1-O 3.33Å; V647-I650 HydrophobicContact CG1-CD1 4.43Å; V647-I650 HydrophobicContact CG1-CG1 3.64Å; V647-L668 HydrophobicContact CG1-CB 4.1Å; V647-L668 HydrophobicContact CG1-CD2 4.36Å; V647-L668 HydrophobicContact CG1-CG 4.38Å; V647-L668 HydrophobicContact CG2-CD2 3.95Å
648	Q	92.1	Very high	80.8	Confident	104 Å²	104	49.6 Å²	49.6	49%	0.486	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	-43.7	174	-167.9	-169.1	25.6	0	0	110.9	K669	Q648-K669 WeakPolarHBondContact CB-O 3.49Å; Q648-K669 PolarHBondContact N-O 2.84Å
649	Q	90.9	Very high	80.2	Confident	72 Å²	72	48.4 Å²	48.4	34%	0.336	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	145.1	-179.1	-62.4	176.6	-21	0	0	110.2	V647 H651 L668 K669	V647-Q649 VanDerWaalsContact CG1-O 3.24Å; V647-Q649 WeakPolarHBondContact CG1-O 3.33Å; Q649-H651 PolarHBondContact OE1-NE2 3.11Å; Q649-L668 WeakPolarHBondContact O-CA 3.44Å; Q649-K669 HydrophobicContact CB-CB 4.06Å; Q649-K669 PolarHBondContact N-O 3.19Å; Q649-K669 PolarHBondContact O-N 3.07Å; Q649-K669 VanDerWaalsContact OE1-CD 3.32Å
650	I	90.9	Very high	79.6	Confident	13 Å²	13	47.6 Å²	47.6	7%	0.067	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	119.9	169.2	-61.8	168.4	0	0	0	106.9	F615 P623 W626 V647 L652	F615-I650 HydrophobicContact CB-CG2 4.15Å; F615-I650 HydrophobicContact CD1-CD1 3.9Å; F615-I650 HydrophobicContact CD1-CG2 4.35Å; F615-I650 HydrophobicContact CD2-CG2 4.28Å; F615-I650 HydrophobicContact CG-CD1 4.46Å; F615-I650 HydrophobicContact CG-CG2 3.99Å; P623-I650 HydrophobicContact CB-CD1 4.41Å; P623-I650 HydrophobicContact CB-CG1 4.37Å; P623-I650 HydrophobicContact CG-CD1 4.24Å; P623-I650 HydrophobicContact CG-CG1 4.12Å; W626-I650 HydrophobicContact CG-CD1 4.43Å; V647-I650 HydrophobicContact CG1-CD1 4.43Å; V647-I650 HydrophobicContact CG1-CG1 3.64Å; I650-L652 HydrophobicContact CG2-CD2 4.27Å; I650-L652 HydrophobicContact CG2-CG 4.47Å
651	H	87.6	Confident	79.9	Confident	57 Å²	57	44.1 Å²	44.1	26%	0.264	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	98.9	175.9	-67.1	-92.7	0	0	0	108.3	W607 Q649 A666 L667 V807	W607-H651 AromaticContact CH2-CD2 4Å; W607-H651 AromaticContact CZ3-CD2 3.75Å; Q649-H651 PolarHBondContact OE1-NE2 3.11Å; H651-A666 CarbonylContact O-C 3.56Å; H651-A666 WeakPolarHBondContact O-CA 3.31Å; H651-L667 HydrophobicContact CB-CB 4.36Å; H651-L667 PolarHBondContact N-O 2.8Å; H651-L667 PolarHBondContact O-N 2.87Å; H651-V807 HydrophobicContact CB-CG1 3.94Å
652	L	84.4	Confident	80.2	Confident	39 Å²	39	42.9 Å²	42.9	20%	0.204	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	146.2	169.1	-67	-173.3	0	0	0	110.2	A612 F615 Y621 I650 Q654 A666	A612-L652 HydrophobicContact CB-CD2 3.83Å; F615-L652 HydrophobicContact CB-CD2 4.08Å; F615-L652 HydrophobicContact CD2-CD2 3.96Å; F615-L652 HydrophobicContact CG-CD2 4.44Å; Y621-L652 HydrophobicContact CD2-CD1 4.16Å; Y621-L652 HydrophobicContact CE2-CD1 3.85Å; Y621-L652 HydrophobicContact CE2-CG 4.16Å; I650-L652 HydrophobicContact CG2-CD2 4.27Å; I650-L652 HydrophobicContact CG2-CG 4.47Å; L652-Q654 PolarHBondContact O-N 3.11Å; L652-A666 HydrophobicContact CD2-CB 3.65Å
653	H	79.1	Confident	80.2	Confident	12 Å²	12	44.2 Å²	44.2	6%	0.056	21%	0.21	C	C	.	.			trans	-60.1	127.5	170	-163.2	-86.5	0	0	0	110.4	Y655 Y656 Y663 L665 W803	H653-Y655 AromaticContact CE1-CD2 3.89Å; H653-Y655 PolarHBondContact ND1-N 2.04Å; H653-Y655 PolarHBondContact O-N 3.24Å; H653-Y656 WeakPolarHBondContact O-CB 3.11Å; H653-Y656 PolarHBondContact O-N 2.9Å; H653-Y663 WeakPolarHBondContact CB-O 3.37Å; H653-Y663 AromaticContact CE1-CD1 3.05Å; H653-Y663 WeakPolarHBondContact CE1-CD1 3.43Å; H653-Y663 AromaticContact CE1-CE1 3.49Å; H653-Y663 VanDerWaalsContact CE1-CE1 3.49Å; H653-Y663 WeakPolarHBondContact CE1-CE1 3.03Å; H653-Y663 AromaticContact CE1-CG 3.61Å; H653-Y663 WeakPolarHBondContact ND1-CB 3.31Å; H653-Y663 AromaticContact ND1-CD1 3.41Å; H653-Y663 WeakPolarHBondContact ND1-CD1 3.17Å; H653-Y663 AromaticContact ND1-CG 3.5Å; H653-Y663 AromaticContact NE2-CD1 3.62Å; H653-L665 WeakPolarHBondContact CB-O 3.06Å; H653-L665 PolarHBondContact N-O 2.99Å; H653-W803 HydrophobicContact CB-CH2 4.25Å; H653-W803 HydrophobicContact CB-CZ2 4.16Å; H653-W803 AromaticContact CD2-CD1 3.93Å; H653-W803 AromaticContact CD2-CD2 3.34Å; H653-W803 AromaticContact CD2-CE2 3.55Å; H653-W803 AromaticContact CD2-CE3 3.69Å; H653-W803 AromaticContact CD2-CG 3.61Å; H653-W803 AromaticContact CD2-NE1 3.89Å; H653-W803 AromaticContact NE2-CD1 3.9Å; H653-W803 AromaticContact NE2-CD2 3.96Å; H653-W803 AromaticContact NE2-CG 3.69Å
654	Q	70.8	Confident	80.7	Confident	69 Å²	69	43.7 Å²	43.7	32%	0.322	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-19.9	-169.2	60	178.5	76.8	0	0	115	E264 R266 L652	E264-Q654 PolarHBondContact OE1-NE2 2.85Å; R266-Q654 PolarHBondContact NE-O 3.01Å; R266-Q654 PolarHBondContact NH2-O 2.9Å; L652-Q654 PolarHBondContact O-N 3.11Å
655	Y	65.8	Low	81	Confident	22 Å²	22	40.8 Å²	40.8	9%	0.086	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	14.3	177.8	-56.4	-60.7	0	0	0	113.8	P263 R291 H653 Y663	P263-Y655 PolarHBondContact O-OH 3.35Å; R291-Y655 PolarHBondContact NE-OH 3.39Å; R291-Y655 VanDerWaalsContact NE-OH 3.1Å; R291-Y655 PolarHBondContact NH2-OH 2.71Å; H653-Y655 AromaticContact CE1-CD2 3.89Å; H653-Y655 PolarHBondContact ND1-N 2.04Å; H653-Y655 PolarHBondContact O-N 3.24Å; Y655-Y663 WeakPolarHBondContact O-CD2 3.4Å
656	Y	74.8	Confident	81.2	Confident	19 Å²	19	40.8 Å²	40.8	8%	0.075	19%	0.189	C	C	.	.			trans	-58.8	135.4	175.1	167.4	-114.4	0	0	0	112	A612 H613 Y616 H653 S658 D662 D664	A612-Y656 HydrophobicContact CB-CD1 3.64Å; A612-Y656 HydrophobicContact CB-CD2 3.57Å; A612-Y656 HydrophobicContact CB-CE1 4.04Å; A612-Y656 HydrophobicContact CB-CE2 3.97Å; A612-Y656 HydrophobicContact CB-CG 3.39Å; H613-Y656 WeakPolarHBondContact CA-OH 3.33Å; H613-Y656 WeakPolarHBondContact CB-OH 3.29Å; Y616-Y656 AromaticContact CD2-CD1 3.87Å; Y616-Y656 HydrophobicContact CD2-CD1 3.87Å; Y616-Y656 AromaticContact CD2-CE1 3.55Å; Y616-Y656 HydrophobicContact CD2-CE1 3.55Å; Y616-Y656 HydrophobicContact CE2-CD1 4.34Å; Y616-Y656 HydrophobicContact CE2-CE1 4.17Å; Y616-Y656 AromaticContact CG-CE1 3.77Å; Y616-Y656 HydrophobicContact CG-CE1 3.77Å; H653-Y656 WeakPolarHBondContact O-CB 3.11Å; H653-Y656 PolarHBondContact O-N 2.9Å; Y656-S658 WeakPolarHBondContact OH-CA 3.25Å; Y656-D662 WeakPolarHBondContact CA-O 3.34Å; Y656-D662 WeakPolarHBondContact CD2-O 3.5Å; Y656-D664 HydrophobicContact CD2-CB 4.02Å; Y656-D664 HydrophobicContact CE2-CB 3.86Å
657	D	63.6	Low	81.4	Confident	14 Å²	14	32.7 Å²	32.7	8%	0.075	16%	0.159	C	C	.	.			trans	-124	125.4	178.9	-177	66.8	0	0	0	113.3	Y287 E659 S660 H661 D662	Y287-D657 HydrophobicContact CE1-CB 3.89Å; Y287-D657 HydrophobicContact CE2-CB 3.87Å; Y287-D657 VanDerWaalsContact CE2-CG 3.42Å; Y287-D657 WeakPolarHBondContact CE2-OD1 3.38Å; Y287-D657 VanDerWaalsContact CZ-CB 3.49Å; Y287-D657 WeakPolarHBondContact OH-CB 3.29Å; Y287-D657 PolarHBondContact OH-OD1 2.95Å; D657-E659 VanDerWaalsContact C-N 3.34Å; D657-E659 PolarHBondContact O-N 3.26Å; D657-E659 PolarHBondContact OD2-N 3.3Å; D657-S660 WeakPolarHBondContact CB-OG 3.41Å; D657-S660 WeakPolarHBondContact OD2-CB 3.47Å; D657-S660 PolarHBondContact OD2-N 3.21Å; D657-S660 PolarHBondContact OD2-OG 3.27Å; D657-H661 VanDerWaalsContact O-CA 3.22Å; D657-H661 WeakPolarHBondContact O-CA 3.42Å; D657-H661 PolarHBondContact O-N 2.99Å; D657-D662 PolarHBondContact N-O 2.85Å; D657-D662 VanDerWaalsContact N-O 3.12Å
658	S	73.6	Confident	81.5	Confident	45 Å²	45	32.2 Å²	32.2	32%	0.315	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-3.2	-177.2	62.7	0	0	0	0	115.5	Y616 Y656	Y616-S658 WeakPolarHBondContact CE1-OG 3.41Å; Y656-S658 WeakPolarHBondContact OH-CA 3.25Å
659	E	64.6	Low	81.6	Confident	77 Å²	77	28 Å²	28	36%	0.36	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-26.1	-178.9	-63.5	-173	171.5	0	0	113.6	K207 K310 D657	K207-E659 PolarHBondContact NZ-O 3.5Å; K310-E659 IonicContact NZ-OE1 2.71Å; K310-E659 PolarHBondContact NZ-OE1 3.02Å; K310-E659 IonicContact NZ-OE2 2.91Å; K310-E659 PolarHBondContact NZ-OE2 3.35Å; D657-E659 VanDerWaalsContact C-N 3.34Å; D657-E659 PolarHBondContact O-N 3.26Å; D657-E659 PolarHBondContact OD2-N 3.3Å
660	S	63.6	Low	81.7	Confident	21 Å²	21	24.7 Å²	24.7	15%	0.147	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-17	176.2	59.3	0	0	0	0	113.6	D657 D662 M743	D657-S660 WeakPolarHBondContact CB-OG 3.41Å; D657-S660 WeakPolarHBondContact OD2-CB 3.47Å; D657-S660 PolarHBondContact OD2-N 3.21Å; D657-S660 PolarHBondContact OD2-OG 3.27Å; S660-D662 PolarHBondContact O-N 3.1Å; S660-D662 PolarHBondContact OG-N 2.88Å; S660-M743 WeakPolarHBondContact O-CE 3.43Å
661	H	79.4	Confident	81.7	Confident	53 Å²	53	26.8 Å²	26.8	25%	0.245	13%	0.132	C	C	.	.			trans	58.5	22.6	-169.3	-53.4	-88.7	0	0	0	113.4	D657 D664 M743 W781	D657-H661 VanDerWaalsContact O-CA 3.22Å; D657-H661 WeakPolarHBondContact O-CA 3.42Å; D657-H661 PolarHBondContact O-N 2.99Å; H661-D664 HydrophobicContact CB-CB 4.46Å; H661-D664 VanDerWaalsContact O-CB 3.25Å; H661-D664 WeakPolarHBondContact O-CB 3.1Å; H661-M743 WeakPolarHBondContact O-CE 3.15Å; H661-W781 HydrophobicContact CB-CB 4.49Å; H661-W781 VanDerWaalsContact CB-CD1 3.44Å; H661-W781 HydrophobicContact CB-CG 4.09Å; H661-W781 AromaticContact CG-CD1 3.95Å
662	D	78.3	Confident	81.7	Confident	3 Å²	3	28.2 Å²	28.2	2%	0.016	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	146.1	172.4	-169.1	47	0	0	0	110.9	Y656 D657 S660 D664 T740 R742 M743	Y656-D662 WeakPolarHBondContact CA-O 3.34Å; Y656-D662 WeakPolarHBondContact CD2-O 3.5Å; D657-D662 PolarHBondContact N-O 2.85Å; D657-D662 VanDerWaalsContact N-O 3.12Å; S660-D662 PolarHBondContact O-N 3.1Å; S660-D662 PolarHBondContact OG-N 2.88Å; D662-D664 PolarHBondContact O-N 3.21Å; D662-T740 HydrophobicContact CB-CG2 4.14Å; D662-T740 WeakPolarHBondContact OD1-CB 3.1Å; D662-T740 WeakPolarHBondContact OD1-CG2 3.3Å; D662-T740 PolarHBondContact OD1-OG1 3.2Å; D662-R742 VanDerWaalsContact CG-NH2 3.28Å; D662-R742 IonicContact OD1-CZ 3.91Å; D662-R742 IonicContact OD1-NE 2.65Å; D662-R742 PolarHBondContact OD1-NE 3.16Å; D662-R742 IonicContact OD1-NH2 3.21Å; D662-R742 PolarHBondContact OD1-NH2 2.7Å; D662-R742 IonicContact OD2-CZ 2.96Å; D662-R742 IonicContact OD2-NE 2.71Å; D662-R742 PolarHBondContact OD2-NE 2.7Å; D662-R742 IonicContact OD2-NH2 2.8Å; D662-R742 PolarHBondContact OD2-NH2 2.91Å; D662-M743 HydrophobicContact CB-CE 4.25Å
663	Y	79.8	Confident	81.6	Confident	57 Å²	57	27.5 Å²	27.5	22%	0.224	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	33.7	-171.4	-63.4	-77.5	0	0	0	114.5	H653 Y655 L665 R742 L800	H653-Y663 WeakPolarHBondContact CB-O 3.37Å; H653-Y663 AromaticContact CE1-CD1 3.05Å; H653-Y663 WeakPolarHBondContact CE1-CD1 3.43Å; H653-Y663 AromaticContact CE1-CE1 3.49Å; H653-Y663 VanDerWaalsContact CE1-CE1 3.49Å; H653-Y663 WeakPolarHBondContact CE1-CE1 3.03Å; H653-Y663 AromaticContact CE1-CG 3.61Å; H653-Y663 WeakPolarHBondContact ND1-CB 3.31Å; H653-Y663 AromaticContact ND1-CD1 3.41Å; H653-Y663 WeakPolarHBondContact ND1-CD1 3.17Å; H653-Y663 AromaticContact ND1-CG 3.5Å; H653-Y663 AromaticContact NE2-CD1 3.62Å; Y655-Y663 WeakPolarHBondContact O-CD2 3.4Å; Y663-L665 PolarHBondContact O-N 2.69Å; Y663-R742 HydrophobicContact CD1-CG 4.21Å; Y663-R742 HydrophobicContact CE1-CG 3.8Å; Y663-L800 HydrophobicContact CD1-CD2 3.6Å; Y663-L800 HydrophobicContact CE1-CD2 3.7Å
664	D	91.8	Very high	81.2	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.134	C	C	.	.			trans	-72.4	73.9	179.1	-171.9	23.8	0	0	0	112	A612 H613 Y656 H661 D662 S780 T795	A612-D664 WeakPolarHBondContact CA-OD1 3.25Å; A612-D664 WeakPolarHBondContact CB-OD1 3.42Å; A612-D664 PolarHBondContact N-OD1 2.9Å; H613-D664 IonicContact CE1-OD2 2.65Å; H613-D664 IonicContact CG-OD1 3.82Å; H613-D664 IonicContact CG-OD2 2.66Å; H613-D664 PolarHBondContact N-OD1 3.15Å; H613-D664 IonicContact ND1-OD1 2.75Å; H613-D664 PolarHBondContact ND1-OD1 2.93Å; H613-D664 IonicContact ND1-OD2 3.18Å; H613-D664 PolarHBondContact ND1-OD2 3.07Å; Y656-D664 HydrophobicContact CD2-CB 4.02Å; Y656-D664 HydrophobicContact CE2-CB 3.86Å; H661-D664 HydrophobicContact CB-CB 4.46Å; H661-D664 VanDerWaalsContact O-CB 3.25Å; H661-D664 WeakPolarHBondContact O-CB 3.1Å; D662-D664 PolarHBondContact O-N 3.21Å; D664-S780 WeakPolarHBondContact CB-OG 3.34Å; D664-S780 WeakPolarHBondContact OD2-CA 3.42Å; D664-S780 VanDerWaalsContact OD2-CB 3.31Å; D664-S780 WeakPolarHBondContact OD2-CB 3.48Å; D664-S780 PolarHBondContact OD2-OG 3.26Å; D664-T795 PolarHBondContact O-OG1 2.85Å
665	L	94.1	Very high	80.6	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.146	C	C	.	.			trans	-143.6	136.3	-178.9	-175.9	68.2	0	0	0	111.2	A609 S610 H653 Y663 V778 T795 I797 L800 W803 I804	A609-L665 HydrophobicContact CB-CD1 4.42Å; S610-L665 CarbonylContact O-C 3.52Å; H653-L665 WeakPolarHBondContact CB-O 3.06Å; H653-L665 PolarHBondContact N-O 2.99Å; Y663-L665 PolarHBondContact O-N 2.69Å; L665-V778 HydrophobicContact CD1-CG2 4.27Å; L665-T795 HydrophobicContact CB-CG2 4.43Å; L665-I797 HydrophobicContact CD1-CD1 3.91Å; L665-I797 HydrophobicContact CD2-CD1 4.4Å; L665-L800 HydrophobicContact CB-CD1 4Å; L665-L800 HydrophobicContact CD2-CB 3.89Å; L665-L800 HydrophobicContact CD2-CD1 3.67Å; L665-L800 HydrophobicContact CD2-CG 4.44Å; L665-L800 HydrophobicContact CG-CD1 4.46Å; L665-W803 HydrophobicContact CD2-CE3 3.78Å; L665-W803 HydrophobicContact CD2-CZ3 3.61Å; L665-W803 HydrophobicContact CG-CZ3 3.89Å; L665-I804 HydrophobicContact CD2-CD1 3.81Å; L665-I804 HydrophobicContact CD2-CG1 3.82Å
666	A	94.5	Very high	79.9	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	148.6	174.8	0	0	0	0	0	111.1	A609 S610 F615 H651 L652	A609-A666 WeakPolarHBondContact CA-O 3.26Å; S610-A666 PolarHBondContact N-O 3.48Å; S610-A666 PolarHBondContact O-N 2.86Å; F615-A666 HydrophobicContact CD2-CB 3.72Å; F615-A666 HydrophobicContact CE2-CB 3.62Å; H651-A666 CarbonylContact O-C 3.56Å; H651-A666 WeakPolarHBondContact O-CA 3.31Å; L652-A666 HydrophobicContact CD2-CB 3.65Å
667	L	96.7	Very high	78.7	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	127.9	174.3	-65.1	176.5	0	0	0	110.7	I603 W607 V608 A609 H651 W803 I804 V807	I603-L667 HydrophobicContact CD1-CD2 3.66Å; W607-L667 HydrophobicContact CE3-CB 4.04Å; W607-L667 HydrophobicContact CZ3-CB 4.09Å; V608-L667 WeakPolarHBondContact O-CA 3.49Å; A609-L667 HydrophobicContact CB-CD2 3.94Å; H651-L667 HydrophobicContact CB-CB 4.36Å; H651-L667 PolarHBondContact N-O 2.8Å; H651-L667 PolarHBondContact O-N 2.87Å; L667-W803 HydrophobicContact CD1-CE3 4.19Å; L667-W803 HydrophobicContact CD1-CH2 4.03Å; L667-W803 HydrophobicContact CD1-CZ3 3.63Å; L667-W803 HydrophobicContact CG-CH2 3.99Å; L667-W803 HydrophobicContact CG-CZ3 3.71Å; L667-I804 HydrophobicContact CD1-CB 4.3Å; L667-I804 HydrophobicContact CD1-CG1 4.28Å; L667-I804 HydrophobicContact CD1-CG2 4.09Å; L667-I804 HydrophobicContact CD2-CG2 4.36Å; L667-V807 HydrophobicContact CB-CG1 4.39Å; L667-V807 HydrophobicContact CD1-CB 3.82Å; L667-V807 HydrophobicContact CD1-CG1 3.79Å; L667-V807 HydrophobicContact CD1-CG2 4.48Å
668	L	95.6	Very high	78	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	115.6	-177.8	-64.2	77.9	0	0	0	108.7	L590 W607 V608 F615 V628 V647 Q649	L590-L668 HydrophobicContact CD1-CD2 4.11Å; L590-L668 HydrophobicContact CD2-CD2 4.19Å; W607-L668 WeakPolarHBondContact CA-O 3.26Å; V608-L668 HydrophobicContact CB-CB 4.36Å; V608-L668 PolarHBondContact N-O 2.71Å; V608-L668 VanDerWaalsContact N-O 3.08Å; V608-L668 PolarHBondContact O-N 3.27Å; F615-L668 HydrophobicContact CE1-CD2 3.94Å; F615-L668 HydrophobicContact CE2-CD1 4.08Å; F615-L668 HydrophobicContact CZ-CD1 3.76Å; F615-L668 HydrophobicContact CZ-CD2 3.88Å; F615-L668 HydrophobicContact CZ-CG 4.23Å; V628-L668 HydrophobicContact CG2-CD2 4.46Å; V647-L668 HydrophobicContact CG1-CB 4.1Å; V647-L668 HydrophobicContact CG1-CD2 4.36Å; V647-L668 HydrophobicContact CG1-CG 4.38Å; V647-L668 HydrophobicContact CG2-CD2 3.95Å; Q649-L668 WeakPolarHBondContact O-CA 3.44Å
669	K	94.9	Very high	77.1	Confident	16 Å²	16	46.8 Å²	46.8	7%	0.07	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	119.6	173.8	-161.5	171.4	-173.5	162.2	0	108	W607 Q648 Q649 P811	W607-K669 HydrophobicContact CD2-CB 4.36Å; W607-K669 HydrophobicContact CD2-CG 4.32Å; W607-K669 HydrophobicContact CE3-CB 3.97Å; W607-K669 HydrophobicContact CE3-CG 4.38Å; W607-K669 HydrophobicContact CH2-CB 3.98Å; W607-K669 HydrophobicContact CH2-CD 3.74Å; W607-K669 HydrophobicContact CH2-CG 3.99Å; W607-K669 HydrophobicContact CZ2-CB 4.32Å; W607-K669 HydrophobicContact CZ2-CD 3.66Å; W607-K669 HydrophobicContact CZ2-CG 3.85Å; W607-K669 HydrophobicContact CZ3-CB 3.77Å; W607-K669 HydrophobicContact CZ3-CD 4.41Å; W607-K669 HydrophobicContact CZ3-CG 4.23Å; Q648-K669 WeakPolarHBondContact CB-O 3.49Å; Q648-K669 PolarHBondContact N-O 2.84Å; Q649-K669 HydrophobicContact CB-CB 4.06Å; Q649-K669 PolarHBondContact N-O 3.19Å; Q649-K669 PolarHBondContact O-N 3.07Å; Q649-K669 VanDerWaalsContact OE1-CD 3.32Å; K669-P811 PolarHBondContact NZ-OXT 3.39Å
670	L	93	Very high	76.6	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	152.4	-177.2	-58.1	-177.8	0	0	0	111.9	L602 Q606 V608 V628 A645 R646 R672	L602-L670 HydrophobicContact CD1-CD1 4.41Å; Q606-L670 HydrophobicContact CG-CB 4.03Å; Q606-L670 WeakPolarHBondContact CG-O 3.25Å; Q606-L670 PolarHBondContact NE2-O 2.92Å; Q606-L670 PolarHBondContact O-N 2.77Å; V608-L670 HydrophobicContact CG2-CD1 4.34Å; V608-L670 HydrophobicContact CG2-CD2 4.25Å; V628-L670 HydrophobicContact CB-CD2 4.05Å; V628-L670 HydrophobicContact CG1-CD2 4.26Å; V628-L670 HydrophobicContact CG2-CD2 3.69Å; A645-L670 HydrophobicContact CB-CB 4.34Å; A645-L670 HydrophobicContact CB-CD1 4.14Å; A645-L670 HydrophobicContact CB-CD2 4.06Å; A645-L670 HydrophobicContact CB-CG 4.41Å; R646-L670 CarbonylContact O-C 3.21Å; R646-L670 WeakPolarHBondContact O-CA 3.16Å; L670-R672 VanDerWaalsContact CB-O 3.28Å; L670-R672 WeakPolarHBondContact CB-O 3.13Å; L670-R672 PolarHBondContact O-N 2.88Å
671	D	89.9	Confident	76.8	Confident	57 Å²	57	46.4 Å²	46.4	31%	0.305	24%	0.244	S	C	.	.	S	Bend	trans	-69.9	-17.7	177.8	75.2	-36.1	0	0	0	113.9	R646	R646-D671 HydrophobicContact CB-CB 4.04Å; R646-D671 PolarHBondContact N-OD1 3.01Å; R646-D671 PolarHBondContact O-N 3.2Å
672	R	86.7	Confident	76.7	Confident	88 Å²	88	45.4 Å²	45.4	33%	0.332	24%	0.244	S	C	.	.	S	Bend	trans	-144.4	155.5	169.3	67.5	-174.1	130.6	-68.6	-6.8	110	V644 L670	V644-R672 PolarHBondContact O-NH2 3.38Å; L670-R672 VanDerWaalsContact CB-O 3.28Å; L670-R672 WeakPolarHBondContact CB-O 3.13Å; L670-R672 PolarHBondContact O-N 2.88Å
673	P	83.1	Confident	77.1	Confident	24 Å²	24	49.3 Å²	49.3	16%	0.156	26%	0.259	C	S	.	.			trans	-71.6	136.4	166.9	-16.5	31.4	0	0	0	112.1	S605 Q606 Y675 A676	S605-P673 CarbonylContact O-C 3.44Å; S605-P673 VanDerWaalsContact O-CA 3.24Å; S605-P673 WeakPolarHBondContact O-CA 3.04Å; Q606-P673 HydrophobicContact CB-CB 4.36Å; Q606-P673 HydrophobicContact CB-CG 4.45Å; Q606-P673 HydrophobicContact CG-CG 4.33Å; P673-Y675 HydrophobicContact CB-CD1 3.41Å; P673-Y675 VanDerWaalsContact CB-CD1 3.41Å; P673-Y675 HydrophobicContact CB-CD2 4.34Å; P673-Y675 HydrophobicContact CB-CE1 3.29Å; P673-Y675 HydrophobicContact CB-CE2 4.22Å; P673-Y675 HydrophobicContact CB-CG 3.93Å; P673-Y675 HydrophobicContact CG-CD1 4.26Å; P673-Y675 HydrophobicContact CG-CE1 3.61Å; P673-Y675 HydrophobicContact CG-CE2 4.43Å; P673-Y675 PolarHBondContact O-N 2.92Å; P673-A676 WeakPolarHBondContact O-CB 3.11Å; P673-A676 PolarHBondContact O-N 2.83Å; P673-A676 VanDerWaalsContact O-N 3.16Å
674	A	70.8	Confident	77.7	Confident	10 Å²	10	47.8 Å²	47.8	8%	0.083	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-64.2	-14.5	173.8	0	0	0	0	0	113.5	S605 L630 A676 L677	S605-A674 PolarHBondContact O-N 3.45Å; L630-A674 HydrophobicContact CD1-CB 4.05Å; A674-A676 PolarHBondContact O-N 2.86Å; A674-A676 VanDerWaalsContact O-N 3.14Å; A674-L677 PolarHBondContact O-N 2.93Å
675	Y	58.3	Low	77.8	Confident	147 Å²	147	47.8 Å²	47.8	58%	0.576	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-64	-14.8	171.7	70	-121.6	0	0	0	113	P673 L677	P673-Y675 HydrophobicContact CB-CD1 3.41Å; P673-Y675 VanDerWaalsContact CB-CD1 3.41Å; P673-Y675 HydrophobicContact CB-CD2 4.34Å; P673-Y675 HydrophobicContact CB-CE1 3.29Å; P673-Y675 HydrophobicContact CB-CE2 4.22Å; P673-Y675 HydrophobicContact CB-CG 3.93Å; P673-Y675 HydrophobicContact CG-CD1 4.26Å; P673-Y675 HydrophobicContact CG-CE1 3.61Å; P673-Y675 HydrophobicContact CG-CE2 4.43Å; P673-Y675 PolarHBondContact O-N 2.92Å; Y675-L677 PolarHBondContact O-N 3.17Å; Y675-L677 VanDerWaalsContact O-N 3.14Å
676	A	50.4	Low	77.7	Confident	66 Å²	66	47.9 Å²	47.9	55%	0.545	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-61.9	-17.5	175.8	0	0	0	0	0	113.1	P673 A674	P673-A676 WeakPolarHBondContact O-CB 3.11Å; P673-A676 PolarHBondContact O-N 2.83Å; P673-A676 VanDerWaalsContact O-N 3.16Å; A674-A676 PolarHBondContact O-N 2.86Å; A674-A676 VanDerWaalsContact O-N 3.14Å
677	L	50.9	Low	77.6	Confident	94 Å²	94	49 Å²	49	49%	0.492	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-127.2	62.6	-178.6	-66	174.6	0	0	0	111.2	E643 A674 Y675 T679	E643-L677 HydrophobicContact CB-CD1 4.25Å; E643-L677 HydrophobicContact CG-CD1 3.96Å; A674-L677 PolarHBondContact O-N 2.93Å; Y675-L677 PolarHBondContact O-N 3.17Å; Y675-L677 VanDerWaalsContact O-N 3.14Å; L677-T679 PolarHBondContact O-N 3.44Å
678	L	48.8	Very low	77.4	Confident	159 Å²	159	49 Å²	49	83%	0.832	26%	0.262	S	S	*	.			trans	-62.7	23.3	176.9	-89.8	166.2	0	0	0	115.9	G680	L678-G680 PolarHBondContact O-N 3.12Å
679	T	54.2	Low	76.8	Confident	110 Å²	110	49.3 Å²	49.3	68%	0.675	26%	0.264	S	S	*	.	S	Bend	trans	-76.7	22.2	173.1	52.1	0	0	0	0	113.6	L677 H681	L677-T679 PolarHBondContact O-N 3.44Å; T679-H681 PolarHBondContact O-CE1 3.37Å; T679-H681 PolarHBondContact O-ND1 2.93Å
680	G	53.8	Low	76.1	Confident	25 Å²	25	51.1 Å²	51.1	26%	0.258	28%	0.278	S	S	.	.	S	Bend	trans	92.2	-5	154.8	0	0	0	0	0	118.7	L678	L678-G680 PolarHBondContact O-N 3.12Å
681	H	67.4	Low	75.4	Confident	65 Å²	65	53 Å²	53	30%	0.301	29%	0.289	S	S	.	.	S	Bend	trans	-105.3	-19.4	-167.5	-65.6	86.3	0	0	0	115.9	P585 I641 T679	P585-H681 VanDerWaalsContact CB-O 3.27Å; P585-H681 WeakPolarHBondContact CB-O 3.35Å; I641-H681 HydrophobicContact CB-CB 4.09Å; I641-H681 HydrophobicContact CD1-CB 4.08Å; T679-H681 PolarHBondContact O-CE1 3.37Å; T679-H681 PolarHBondContact O-ND1 2.93Å
682	A	78.7	Confident	75.1	Confident	31 Å²	31	50.8 Å²	50.8	26%	0.256	28%	0.277	S	S	.	.			trans	-108.7	128.7	173.1	0	0	0	0	0	110.2	P585 L630	P585-A682 WeakPolarHBondContact O-CA 3.05Å; L630-A682 HydrophobicContact CB-CB 4.3Å; L630-A682 HydrophobicContact CD2-CB 4.21Å
683	R	86.4	Confident	74.8	Confident	86 Å²	86	49.8 Å²	49.8	33%	0.325	28%	0.276	S	S	.	.			trans	-151.7	141.2	179.8	-63.7	-175	173.6	-164.3	-8.2	110.3	L566 P585 W586	L566-R683 WeakPolarHBondContact O-CD 3.1Å; P585-R683 CarbonylContact C-O 3.45Å; P585-R683 VanDerWaalsContact C-O 3.26Å; P585-R683 HydrophobicContact CB-CB 3.96Å; P585-R683 HydrophobicContact CB-CG 4.31Å; P585-R683 HydrophobicContact CG-CB 4.03Å; P585-R683 PolarHBondContact O-N 3.39Å; W586-R683 WeakPolarHBondContact CA-O 3.39Å; W586-R683 VanDerWaalsContact CB-O 3.31Å; W586-R683 WeakPolarHBondContact CB-O 3.21Å; W586-R683 PolarHBondContact N-O 2.91Å
684	P	91.8	Very high	74.9	Confident	25 Å²	25	50.2 Å²	50.2	16%	0.162	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-71.8	150.3	-180	29.6	-33.7	0	0	0	112.3	C564 G565 L602	C564-P684 CarbonylContact C-O 3.59Å; C564-P684 WeakPolarHBondContact CA-O 3.3Å; C564-P684 HydrophobicContact CB-CG 4.24Å; G565-P684 PolarHBondContact N-O 3.47Å; L602-P684 HydrophobicContact CG-CB 4.32Å; L602-P684 CarbonylContact O-C 3.47Å; L602-P684 WeakPolarHBondContact O-CA 3.22Å
685	A	93.6	Very high	75.3	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-74.8	154.3	161.4	0	0	0	0	0	109.5	W586 L602 V765 L775	W586-A685 HydrophobicContact CB-CB 4.02Å; W586-A685 HydrophobicContact CD2-CB 3.89Å; W586-A685 HydrophobicContact CE3-CB 4.23Å; W586-A685 HydrophobicContact CG-CB 3.8Å; L602-A685 PolarHBondContact O-N 3.32Å; A685-V765 HydrophobicContact CB-CG1 4.25Å; A685-L775 HydrophobicContact CB-CB 4.31Å
686	C	93	Very high	76.4	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.014	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-74.1	141.9	173.9	-64.3	0	0	0	0	111.4	C564 G565 R772 W773 F774 L775	C564-C686 HydrophobicContact CB-CB 3.97Å; C564-C686 WeakPolarHBondContact CB-SG 3.27Å; C564-C686 PolarHBondContact O-SG 3.21Å; C564-C686 WeakPolarHBondContact SG-CA 3.49Å; C564-C686 WeakPolarHBondContact SG-CB 3.49Å; C564-C686 CovalentContact SG-SG 2.04Å; C564-C686 PolarHBondContact SG-SG 3.33Å; G565-C686 PolarHBondContact N-SG 3.34Å; C686-R772 WeakPolarHBondContact SG-CD 3.46Å; C686-W773 PolarHBondContact N-O 2.72Å; C686-F774 HydrophobicContact CB-CD1 3.4Å; C686-F774 HydrophobicContact CB-CD2 4.33Å; C686-F774 HydrophobicContact CB-CE1 3.5Å; C686-F774 VanDerWaalsContact CB-CE1 3.5Å; C686-F774 HydrophobicContact CB-CE2 4.42Å; C686-F774 HydrophobicContact CB-CG 3.85Å; C686-F774 HydrophobicContact CB-CZ 4.03Å; C686-F774 WeakPolarHBondContact O-CA 3.31Å; C686-L775 PolarHBondContact O-N 3.48Å
687	L	92.6	Very high	77.8	Confident	24 Å²	24	50.1 Å²	50.1	13%	0.126	28%	0.283	C	S	.	.			trans	-94.5	110.8	176.3	-177.7	74.4	0	0	0	108.6	I797 T801 I804 K805	L687-I797 HydrophobicContact CD1-CG2 3.53Å; L687-T801 HydrophobicContact CD2-CG2 3.94Å; L687-T801 HydrophobicContact CG-CG2 4.15Å; L687-I804 HydrophobicContact CD1-CD1 3.7Å; L687-I804 HydrophobicContact CD1-CG2 4.15Å; L687-I804 HydrophobicContact CD2-CB 4.17Å; L687-I804 HydrophobicContact CD2-CG2 3.62Å; L687-K805 HydrophobicContact CD2-CG 4.26Å
688	P	90.8	Very high	79.4	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.272	C	S	.	.			trans	-67.4	140.8	-174	27.6	-35.5	0	0	0	112.1	H692 F774 L775 I797 T798 T801	P688-H692 HydrophobicContact CB-CB 3.64Å; P688-H692 WeakPolarHBondContact CB-ND1 3.15Å; P688-F774 HydrophobicContact CB-CD1 4.05Å; P688-L775 VanDerWaalsContact CD-O 3.3Å; P688-L775 WeakPolarHBondContact CD-O 3.38Å; P688-L775 WeakPolarHBondContact CG-O 3.29Å; P688-I797 HydrophobicContact CG-CG2 4.05Å; P688-T798 HydrophobicContact CB-CG2 3.97Å; P688-T798 HydrophobicContact CG-CG2 3.89Å; P688-T801 WeakPolarHBondContact O-CB 3.34Å; P688-T801 VanDerWaalsContact O-CG2 3.31Å; P688-T801 WeakPolarHBondContact O-CG2 3.5Å; P688-T801 PolarHBondContact O-OG1 3.48Å
689	P	84.3	Confident	81.4	Confident	6 Å²	6	43 Å²	43	4%	0.039	25%	0.245	C	C	.	.			trans	-62.1	163.6	172	26.2	-34.8	0	0	0	112	Y532 E546 T691 H692	Y532-P689 HydrophobicContact CD2-CG 4.5Å; Y532-P689 HydrophobicContact CE2-CB 4.37Å; Y532-P689 HydrophobicContact CE2-CG 4.17Å; E546-P689 HydrophobicContact CB-CG 4.47Å; E546-P689 WeakPolarHBondContact OE2-CG 3.36Å; P689-T691 PolarHBondContact O-N 3.32Å; P689-T691 VanDerWaalsContact O-N 3.16Å; P689-H692 HydrophobicContact CG-CB 4.06Å; P689-H692 VanDerWaalsContact O-CB 3.29Å; P689-H692 WeakPolarHBondContact O-CB 3.4Å; P689-H692 PolarHBondContact O-N 2.93Å; P689-H692 VanDerWaalsContact O-N 3.09Å
690	P	78.7	Confident	83.2	Confident	54 Å²	54	37.7 Å²	37.7	35%	0.351	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-24.8	179.1	-23.2	35	0	0	0	114.2	T798 N802	P690-T798 WeakPolarHBondContact CA-O 3.12Å; P690-N802 VanDerWaalsContact CG-OD1 3.31Å; P690-N802 WeakPolarHBondContact CG-OD1 3.25Å
691	T	78.3	Confident	85.1	Confident	40 Å²	40	38.1 Å²	38.1	25%	0.245	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-3.3	178.9	48.6	0	0	0	0	113.9	P689 Q693	P689-T691 PolarHBondContact O-N 3.32Å; P689-T691 VanDerWaalsContact O-N 3.16Å; T691-Q693 PolarHBondContact O-N 2.9Å
692	H	83.9	Confident	86.4	Confident	11 Å²	11	35.2 Å²	35.2	5%	0.051	19%	0.194	C	C	.	.			trans	-63.7	120.1	-178.1	-160.9	120.7	0	0	0	111	N544 P688 P689 E768 F774 T798	N544-H692 PolarHBondContact ND2-CD2 2.92Å; N544-H692 PolarHBondContact ND2-NE2 3.2Å; N544-H692 WeakPolarHBondContact OD1-CA 3.16Å; N544-H692 PolarHBondContact OD1-CD2 3.42Å; P688-H692 HydrophobicContact CB-CB 3.64Å; P688-H692 WeakPolarHBondContact CB-ND1 3.15Å; P689-H692 HydrophobicContact CG-CB 4.06Å; P689-H692 VanDerWaalsContact O-CB 3.29Å; P689-H692 WeakPolarHBondContact O-CB 3.4Å; P689-H692 PolarHBondContact O-N 2.93Å; P689-H692 VanDerWaalsContact O-N 3.09Å; H692-E768 IonicContact CD2-OE1 3.1Å; H692-E768 IonicContact CE1-OE1 2.67Å; H692-E768 IonicContact NE2-OE1 2.59Å; H692-E768 PolarHBondContact NE2-OE1 2.82Å; H692-F774 AromaticContact CE1-CD1 3.65Å; H692-F774 AromaticContact CE1-CD2 3.88Å; H692-F774 AromaticContact CE1-CE1 3.87Å; H692-F774 AromaticContact CE1-CG 3.65Å; H692-F774 AromaticContact ND1-CD1 3.86Å; H692-T798 HydrophobicContact CB-CG2 3.95Å
693	Q	81.7	Confident	87.1	Confident	67 Å²	67	33.8 Å²	33.8	31%	0.313	18%	0.182	S	C	.	.			trans	-82	122.8	-177	-60	-178.7	7.9	0	0	109.7	N544 T691	N544-Q693 PolarHBondContact ND2-O 2.91Å; N544-Q693 PolarHBondContact OD1-N 2.67Å; T691-Q693 PolarHBondContact O-N 2.9Å
694	L	84.3	Confident	87.4	Confident	33 Å²	33	29.8 Å²	29.8	17%	0.173	17%	0.167	C	C	.	.			trans	-121.7	76.1	-172.6	-72.6	176.6	0	0	0	110	L698 L725 A776 T798	L694-L698 HydrophobicContact CD2-CD2 4.44Å; L694-L725 HydrophobicContact CB-CD1 3.91Å; L694-A776 HydrophobicContact CD1-CB 3.93Å; L694-A776 HydrophobicContact CD2-CB 3.98Å; L694-T798 HydrophobicContact CD1-CG2 3.77Å; L694-T798 HydrophobicContact CG-CG2 4.49Å
695	E	78.6	Confident	87.5	Confident	118 Å²	118	28.6 Å²	28.6	55%	0.551	16%	0.159	S	C	*	.			trans	-68.5	143	-165	-71.9	-52.6	112.6	0	0	115.2	G697 L698	E695-G697 PolarHBondContact O-N 3.04Å; E695-L698 WeakPolarHBondContact O-CB 3.27Å; E695-L698 PolarHBondContact O-N 3.29Å; E695-L698 VanDerWaalsContact O-N 3.13Å
696	P	81.4	Confident	87	Confident	74 Å²	74	28.7 Å²	28.7	48%	0.481	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	135.1	174.4	-25	35.1	0	0	0	112.4	L698	P696-L698 VanDerWaalsContact C-N 3.33Å
697	G	81.1	Confident	86.3	Confident	29 Å²	29	28.8 Å²	28.8	30%	0.299	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	-9.8	-177.4	0	0	0	0	0	115.1	E695 R724 L725	E695-G697 PolarHBondContact O-N 3.04Å; G697-R724 PolarHBondContact O-NH1 3.13Å; G697-L725 WeakPolarHBondContact CA-O 3.23Å; G697-L725 PolarHBondContact N-O 3.35Å
698	L	84.8	Confident	85.5	Confident	49 Å²	49	33.9 Å²	33.9	26%	0.257	19%	0.185	S	C	.	.			trans	-51.2	138.6	173	-176.1	65.2	0	0	0	111	L694 E695 P696 R724 L725 C766	L694-L698 HydrophobicContact CD2-CD2 4.44Å; E695-L698 WeakPolarHBondContact O-CB 3.27Å; E695-L698 PolarHBondContact O-N 3.29Å; E695-L698 VanDerWaalsContact O-N 3.13Å; P696-L698 VanDerWaalsContact C-N 3.33Å; L698-R724 VanDerWaalsContact O-CA 3.28Å; L698-R724 WeakPolarHBondContact O-CA 3.35Å; L698-L725 HydrophobicContact CB-CD1 4.02Å; L698-L725 HydrophobicContact CB-CG 4.17Å; L698-L725 HydrophobicContact CD2-CD1 4.04Å; L698-L725 PolarHBondContact O-N 2.97Å; L698-C766 HydrophobicContact CD2-CB 3.84Å; L698-C766 HydrophobicContact CG-CB 4.45Å
699	L	89.3	Confident	84.6	Confident	53 Å²	53	43.7 Å²	43.7	28%	0.277	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	114.6	-176.5	-171.8	72.5	0	0	0	110.3	D722 R724	L699-D722 HydrophobicContact CD1-CB 4.33Å; L699-R724 HydrophobicContact CD1-CG 4.3Å
700	C	93.6	Very high	84.1	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	168.8	-177.5	-51	0	0	0	0	110.2	V723 L764 V765 C766	C700-V723 HydrophobicContact CB-CG2 4.43Å; C700-V723 PolarHBondContact N-O 3.12Å; C700-V723 PolarHBondContact O-N 2.88Å; C700-L764 HydrophobicContact CB-CD1 3.78Å; C700-L764 HydrophobicContact CB-CG 4.34Å; C700-V765 CarbonylContact C-O 3.54Å; C700-V765 WeakPolarHBondContact CA-O 3.45Å; C700-V765 WeakPolarHBondContact CB-O 3.33Å; C700-C766 HydrophobicContact CB-CB 4.02Å; C700-C766 WeakPolarHBondContact CB-SG 3.35Å; C700-C766 WeakPolarHBondContact SG-CB 3.39Å; C700-C766 CovalentContact SG-SG 2.04Å; C700-C766 PolarHBondContact SG-SG 3.48Å
701	W	93.8	Very high	83.5	Confident	34 Å²	34	48.5 Å²	48.5	13%	0.129	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	141.5	-176.8	-73.5	77.5	0	0	0	111.2	W584 K720 V721 D722 L764 V765 W773	W584-W701 HydrophobicContact CH2-CB 3.46Å; W584-W701 VanDerWaalsContact CH2-CB 3.46Å; W584-W701 AromaticContact CH2-CD2 3.85Å; W584-W701 HydrophobicContact CH2-CD2 3.85Å; W584-W701 HydrophobicContact CH2-CE3 4.33Å; W584-W701 AromaticContact CH2-CG 3.48Å; W584-W701 HydrophobicContact CH2-CG 3.48Å; W584-W701 VanDerWaalsContact CH2-CG 3.48Å; W584-W701 HydrophobicContact CZ2-CB 3.99Å; W584-W701 AromaticContact CZ2-CD2 3.8Å; W584-W701 HydrophobicContact CZ2-CD2 3.8Å; W584-W701 AromaticContact CZ2-CE3 3.81Å; W584-W701 HydrophobicContact CZ2-CE3 3.81Å; W584-W701 AromaticContact CZ2-CG 3.91Å; W584-W701 HydrophobicContact CZ2-CG 3.91Å; W584-W701 HydrophobicContact CZ3-CB 4.16Å; W701-K720 HydrophobicContact CE3-CB 3.93Å; W701-K720 HydrophobicContact CE3-CG 4.36Å; W701-K720 HydrophobicContact CZ3-CB 3.92Å; W701-K720 HydrophobicContact CZ3-CD 3.93Å; W701-K720 HydrophobicContact CZ3-CG 3.84Å; W701-V721 WeakPolarHBondContact CA-O 3.31Å; W701-D722 HydrophobicContact CD2-CB 4.27Å; W701-D722 HydrophobicContact CE3-CB 4.39Å; W701-D722 HydrophobicContact CH2-CB 4.15Å; W701-D722 HydrophobicContact CZ2-CB 4Å; W701-D722 HydrophobicContact CZ3-CB 4.33Å; W701-L764 WeakPolarHBondContact O-CA 3.17Å; W701-V765 HydrophobicContact CB-CG2 4.49Å; W701-V765 PolarHBondContact N-O 2.86Å; W701-V765 PolarHBondContact O-N 2.75Å; W701-W773 HydrophobicContact CB-CZ3 4.26Å; W701-W773 AromaticContact CD1-CH2 3.5Å; W701-W773 AromaticContact CD1-CZ3 3.6Å; W701-W773 HydrophobicContact CG-CH2 4.25Å; W701-W773 HydrophobicContact CG-CZ3 4.16Å; W701-W773 AromaticContact NE1-CH2 3.9Å
702	V	94	Very high	83.2	Confident	4 Å²	4	48.6 Å²	48.6	2%	0.024	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	138.8	172.1	-176.8	0	0	0	0	108.6	V721 V723 A755 L764 V779 Y794	V702-V721 HydrophobicContact CB-CG1 3.98Å; V702-V721 PolarHBondContact N-O 3.12Å; V702-V721 PolarHBondContact O-N 3.29Å; V702-V723 HydrophobicContact CG2-CG2 3.9Å; V702-A755 HydrophobicContact CG1-CB 4.22Å; V702-L764 HydrophobicContact CG2-CB 4.41Å; V702-L764 HydrophobicContact CG2-CD1 3.48Å; V702-L764 VanDerWaalsContact CG2-CD1 3.48Å; V702-V779 HydrophobicContact CG1-CG2 3.86Å; V702-Y794 HydrophobicContact CG1-CE1 4.48Å; V702-Y794 HydrophobicContact CG2-CE1 3.78Å; V702-Y794 WeakPolarHBondContact CG2-OH 3.47Å
703	T	93.5	Very high	82.7	Confident	1 Å²	1	51 Å²	51	1%	0.006	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	135.7	-177.4	43.3	0	0	0	0	112.2	W584 Q587 Q719 K720	W584-T703 HydrophobicContact CB-CG2 4.44Å; W584-T703 HydrophobicContact CD2-CG2 3.76Å; W584-T703 HydrophobicContact CE3-CG2 4.49Å; W584-T703 HydrophobicContact CG-CG2 3.71Å; W584-T703 HydrophobicContact CZ2-CG2 4.35Å; Q587-T703 PolarHBondContact NE2-O 2.85Å; Q587-T703 PolarHBondContact OE1-O 2.94Å; Q587-T703 PolarHBondContact OE1-OG1 3.13Å; T703-Q719 WeakPolarHBondContact CA-O 3.17Å; T703-K720 HydrophobicContact CG2-CB 3.86Å
704	G	93.3	Very high	82.6	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.01	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.5	-178.4	-177.9	0	0	0	0	0	114	Q719 D759	G704-Q719 PolarHBondContact N-O 2.69Å; G704-Q719 PolarHBondContact O-N 2.89Å; G704-D759 WeakPolarHBondContact CA-OD1 3.33Å
705	W	92.2	Very high	82.7	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	31%	0.305	C	S	.	.			trans	-111.5	19.8	-179.8	-65.5	-90.8	0	0	0	111.6	Q587 H596 K632 L633 L635 A714 N715 L718 D759	Q587-W705 HydrophobicContact CG-CH2 3.74Å; Q587-W705 HydrophobicContact CG-CZ3 3.86Å; H596-W705 AromaticContact CE1-CE3 3.65Å; H596-W705 AromaticContact NE2-CE3 3.81Å; K632-W705 HydrophobicContact CB-CH2 4.44Å; K632-W705 HydrophobicContact CB-CZ2 4.19Å; K632-W705 HydrophobicContact CG-CZ2 4.32Å; K632-W705 WeakPolarHBondContact O-CZ2 3.22Å; L633-W705 PolarHBondContact O-NE1 3.43Å; L635-W705 HydrophobicContact CD1-CB 3.94Å; L635-W705 HydrophobicContact CD1-CG 4.08Å; L635-W705 HydrophobicContact CD2-CB 4.39Å; L635-W705 HydrophobicContact CD2-CD2 3.87Å; L635-W705 HydrophobicContact CD2-CG 3.77Å; L635-W705 HydrophobicContact CG-CB 4.31Å; L635-W705 HydrophobicContact CG-CD2 4.49Å; L635-W705 HydrophobicContact CG-CG 3.89Å; W705-A714 CarbonylContact O-C 3.6Å; W705-A714 WeakPolarHBondContact O-CA 3.3Å; W705-A714 VanDerWaalsContact O-CB 3.25Å; W705-A714 WeakPolarHBondContact O-CB 3.44Å; W705-N715 PolarHBondContact O-N 3.06Å; W705-L718 HydrophobicContact CD2-CD1 3.96Å; W705-L718 HydrophobicContact CE3-CD1 4.1Å; W705-L718 HydrophobicContact CH2-CD1 3.95Å; W705-L718 HydrophobicContact CZ2-CB 3.96Å; W705-L718 HydrophobicContact CZ2-CD1 3.82Å; W705-L718 HydrophobicContact CZ2-CD2 4.42Å; W705-L718 HydrophobicContact CZ2-CG 4.28Å; W705-L718 HydrophobicContact CZ3-CD1 4.09Å; W705-D759 PolarHBondContact N-OD1 3.03Å
706	G	84.3	Confident	83.1	Confident	3 Å²	3	47.6 Å²	47.6	3%	0.031	29%	0.291	C	S	.	.			trans	-65.4	174.2	-178.3	0	0	0	0	0	114.3	Q708 Q757 D759	G706-Q708 PolarHBondContact O-N 3.28Å; G706-Q757 CarbonylContact C-O 3.41Å; G706-Q757 WeakPolarHBondContact CA-O 3.31Å; G706-D759 WeakPolarHBondContact CA-OD1 3.42Å; G706-D759 PolarHBondContact N-OD1 3.1Å
707	A	78.1	Confident	83.5	Confident	3 Å²	3	45.7 Å²	45.7	3%	0.025	28%	0.278	C	S	.	.			trans	-69	122.7	-179.1	0	0	0	0	0	111.4	R709 G712 G713 C756 Q757	A707-R709 WeakPolarHBondContact CB-O 3.41Å; A707-R709 PolarHBondContact O-N 2.93Å; A707-G712 WeakPolarHBondContact CB-O 3.27Å; A707-G713 WeakPolarHBondContact CA-O 3.35Å; A707-C756 WeakPolarHBondContact O-CB 3.29Å; A707-C756 PolarHBondContact O-SG 2.92Å; A707-Q757 PolarHBondContact N-O 3.45Å
708	Q	75.3	Confident	84	Confident	132 Å²	132	44.6 Å²	44.6	62%	0.617	27%	0.266	S	S	*	.	S	Bend	trans	-62.4	-5.1	175.5	-69.8	-178.8	-30.8	0	0	114.3	G706 N715	G706-Q708 PolarHBondContact O-N 3.28Å; Q708-N715 PolarHBondContact NE2-ND2 3.27Å
709	R	71.4	Confident	84.3	Confident	205 Å²	205	43.4 Å²	43.4	77%	0.774	26%	0.258	S	S	*	.	S	Bend	trans	-150	146.2	177.5	-59.5	-176.2	-173.7	168.9	3.7	109.1	A707 G711 G712	A707-R709 WeakPolarHBondContact CB-O 3.41Å; A707-R709 PolarHBondContact O-N 2.93Å; R709-G711 PolarHBondContact O-N 3.01Å; R709-G712 PolarHBondContact O-N 3.02Å
710	E	74.3	Confident	84.4	Confident	90 Å²	90	41.5 Å²	41.5	42%	0.421	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	126.9	176.4	-166.8	-174.2	133.4	0	0	111.5	G712 G784 C785 R787	E710-G712 VanDerWaalsContact C-N 3.27Å; E710-G712 PolarHBondContact O-N 2.97Å; E710-G784 VanDerWaalsContact CD-CA 3.49Å; E710-G784 WeakPolarHBondContact OE2-CA 3.13Å; E710-C785 HydrophobicContact CB-CB 4.19Å; E710-C785 PolarHBondContact OE2-N 3.19Å; E710-R787 VanDerWaalsContact CD-NH2 3.33Å; E710-R787 IonicContact OE1-CZ 3.83Å; E710-R787 IonicContact OE1-NE 2.69Å; E710-R787 IonicContact OE1-NH2 3.15Å; E710-R787 PolarHBondContact OE1-NH2 3.33Å; E710-R787 IonicContact OE2-CZ 2.82Å; E710-R787 IonicContact OE2-NE 2.67Å; E710-R787 PolarHBondContact OE2-NE 3.09Å; E710-R787 IonicContact OE2-NH2 3.64Å; E710-R787 PolarHBondContact OE2-NH2 3.45Å
711	G	66.7	Low	84.2	Confident	72 Å²	72	42.4 Å²	42.4	74%	0.742	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.9	8.5	-176.8	0	0	0	0	0	115.4	R709 Q757	R709-G711 PolarHBondContact O-N 3.01Å; G711-Q757 VanDerWaalsContact N-OE1 3.07Å
712	G	71.8	Confident	84.1	Confident	42 Å²	42	41.4 Å²	41.4	43%	0.433	25%	0.251	S	S	.	.			trans	-76.2	175.8	169	0	0	0	0	0	113.3	A707 R709 E710	A707-G712 WeakPolarHBondContact CB-O 3.27Å; R709-G712 PolarHBondContact O-N 3.02Å; E710-G712 VanDerWaalsContact C-N 3.27Å; E710-G712 PolarHBondContact O-N 2.97Å
713	G	73.6	Confident	84	Confident	62 Å²	62	41.2 Å²	41.2	64%	0.639	25%	0.249	S	C	*	.	P	Polyproline II helix	trans	-91	161.2	168.9	0	0	0	0	0	112.3	A707	A707-G713 WeakPolarHBondContact CA-O 3.35Å
714	A	80.4	Confident	83.9	Confident	60 Å²	60	46.8 Å²	46.8	50%	0.496	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-55.2	139.8	173.9	0	0	0	0	0	112.1	W705	W705-A714 CarbonylContact O-C 3.6Å; W705-A714 WeakPolarHBondContact O-CA 3.3Å; W705-A714 VanDerWaalsContact O-CB 3.25Å; W705-A714 WeakPolarHBondContact O-CB 3.44Å
715	N	84.6	Confident	83.9	Confident	37 Å²	37	47.2 Å²	47.2	20%	0.198	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-80.4	146.6	177.2	-165.4	-3	0	0	0	111.1	L635 W705 Q708 V717 Q719	L635-N715 WeakPolarHBondContact CD1-O 3.44Å; W705-N715 PolarHBondContact O-N 3.06Å; Q708-N715 PolarHBondContact NE2-ND2 3.27Å; N715-V717 PolarHBondContact OD1-N 3.41Å; N715-Q719 HydrophobicContact CB-CG 4.35Å; N715-Q719 PolarHBondContact ND2-NE2 3.11Å; N715-Q719 VanDerWaalsContact ND2-NE2 3.12Å
716	N	87.8	Confident	83.7	Confident	49 Å²	49	48.4 Å²	48.4	26%	0.262	28%	0.28	S	S	.	.	S	Bend	trans	-74.5	-28.7	178	-172.9	61.7	0	0	0	113.2	L634 L635 N636	L634-N716 CarbonylContact C-O 3.48Å; L634-N716 VanDerWaalsContact CA-O 3.26Å; L634-N716 WeakPolarHBondContact CA-O 3.46Å; L635-N716 PolarHBondContact N-O 3.21Å; L635-N716 PolarHBondContact N-OD1 2.86Å; N636-N716 WeakPolarHBondContact CB-OD1 3.48Å; N636-N716 VanDerWaalsContact CG-CG 3.44Å; N636-N716 VanDerWaalsContact CG-ND2 3.3Å; N636-N716 PolarHBondContact N-OD1 3.14Å; N636-N716 PolarHBondContact ND2-ND2 3.47Å; N636-N716 PolarHBondContact ND2-OD1 2.7Å; N636-N716 PolarHBondContact OD1-ND2 2.82Å; N636-N716 PolarHBondContact OD1-OD1 2.89Å; N636-N716 VanDerWaalsContact OD1-OD1 3.12Å
717	V	90.6	Very high	83.5	Confident	33 Å²	33	50.4 Å²	50.4	20%	0.2	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-101.1	133.9	-179.8	-167.6	0	0	0	0	109.3	D578 L633 L634 N715 Q719	D578-V717 HydrophobicContact CB-CG1 3.9Å; L633-V717 HydrophobicContact CD1-CG1 3.88Å; L634-V717 HydrophobicContact CD2-CB 4.3Å; L634-V717 HydrophobicContact CD2-CG1 4.25Å; L634-V717 HydrophobicContact CD2-CG2 3.81Å; N715-V717 PolarHBondContact OD1-N 3.41Å; V717-Q719 PolarHBondContact O-N 3.34Å; V717-Q719 PolarHBondContact O-NE2 3.24Å
718	L	91	Very high	83.2	Confident	7 Å²	7	53.9 Å²	53.9	4%	0.037	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-53.2	124.4	173.5	177.4	63.3	0	0	0	109.6	A579 Q587 L633 W705	A579-L718 HydrophobicContact CB-CB 4.09Å; A579-L718 HydrophobicContact CB-CD2 3.82Å; A579-L718 HydrophobicContact CB-CG 3.79Å; A579-L718 WeakPolarHBondContact CB-O 3.47Å; A579-L718 PolarHBondContact N-O 3.01Å; Q587-L718 HydrophobicContact CB-CD2 4.47Å; Q587-L718 HydrophobicContact CG-CD1 3.8Å; Q587-L718 HydrophobicContact CG-CD2 4.05Å; L633-L718 HydrophobicContact CD1-CB 3.93Å; L633-L718 PolarHBondContact O-N 3Å; W705-L718 HydrophobicContact CD2-CD1 3.96Å; W705-L718 HydrophobicContact CE3-CD1 4.1Å; W705-L718 HydrophobicContact CH2-CD1 3.95Å; W705-L718 HydrophobicContact CZ2-CB 3.96Å; W705-L718 HydrophobicContact CZ2-CD1 3.82Å; W705-L718 HydrophobicContact CZ2-CD2 4.42Å; W705-L718 HydrophobicContact CZ2-CG 4.28Å; W705-L718 HydrophobicContact CZ3-CD1 4.09Å
719	Q	91.7	Very high	82.7	Confident	23 Å²	23	50.7 Å²	50.7	11%	0.107	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	151.4	176.6	-59.1	-60.3	-86.5	0	0	110.4	D578 T703 G704 N715 V717	D578-Q719 PolarHBondContact OD1-NE2 2.76Å; T703-Q719 WeakPolarHBondContact CA-O 3.17Å; G704-Q719 PolarHBondContact N-O 2.69Å; G704-Q719 PolarHBondContact O-N 2.89Å; N715-Q719 HydrophobicContact CB-CG 4.35Å; N715-Q719 PolarHBondContact ND2-NE2 3.11Å; N715-Q719 VanDerWaalsContact ND2-NE2 3.12Å; V717-Q719 PolarHBondContact O-N 3.34Å; V717-Q719 PolarHBondContact O-NE2 3.24Å
720	K	90.4	Very high	82.7	Confident	14 Å²	14	42 Å²	42	6%	0.061	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	139.3	168.9	59.7	-179.2	178	-161.3	0	109.6	G576 S577 D578 A579 E583 W584 W701 T703	G576-K720 WeakPolarHBondContact CA-O 3.34Å; S577-K720 PolarHBondContact N-O 3.39Å; S577-K720 VanDerWaalsContact N-O 3.15Å; S577-K720 WeakPolarHBondContact O-CG 3.34Å; S577-K720 PolarHBondContact O-N 3.33Å; D578-K720 VanDerWaalsContact O-CE 3.25Å; D578-K720 WeakPolarHBondContact O-CE 3.21Å; A579-K720 HydrophobicContact CB-CD 4.38Å; A579-K720 HydrophobicContact CB-CG 4.5Å; E583-K720 IonicContact OE1-NZ 3.22Å; E583-K720 PolarHBondContact OE1-NZ 2.98Å; E583-K720 WeakPolarHBondContact OE2-CD 3.49Å; E583-K720 IonicContact OE2-NZ 3.39Å; E583-K720 PolarHBondContact OE2-NZ 2.86Å; W584-K720 HydrophobicContact CZ2-CB 4.48Å; W701-K720 HydrophobicContact CE3-CB 3.93Å; W701-K720 HydrophobicContact CE3-CG 4.36Å; W701-K720 HydrophobicContact CZ3-CB 3.92Å; W701-K720 HydrophobicContact CZ3-CD 3.93Å; W701-K720 HydrophobicContact CZ3-CG 3.84Å; T703-K720 HydrophobicContact CG2-CB 3.86Å
721	V	90.4	Very high	82.9	Confident	18 Å²	18	37.7 Å²	37.7	11%	0.109	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	133.7	175	65.3	0	0	0	0	111	W701 V702 V723 K753	W701-V721 WeakPolarHBondContact CA-O 3.31Å; V702-V721 HydrophobicContact CB-CG1 3.98Å; V702-V721 PolarHBondContact N-O 3.12Å; V702-V721 PolarHBondContact O-N 3.29Å; V721-V723 HydrophobicContact CG1-CG1 4.43Å; V721-K753 HydrophobicContact CG2-CB 3.75Å; V721-K753 HydrophobicContact CG2-CD 3.82Å; V721-K753 HydrophobicContact CG2-CG 3.86Å
722	D	90.6	Very high	83.1	Confident	13 Å²	13	35.8 Å²	35.8	7%	0.07	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	130.7	171.3	61.2	-61.5	0	0	0	110.3	G575 L699 W701 Y748 K753	G575-D722 PolarHBondContact N-OD1 2.66Å; L699-D722 HydrophobicContact CD1-CB 4.33Å; W701-D722 HydrophobicContact CD2-CB 4.27Å; W701-D722 HydrophobicContact CE3-CB 4.39Å; W701-D722 HydrophobicContact CH2-CB 4.15Å; W701-D722 HydrophobicContact CZ2-CB 4Å; W701-D722 HydrophobicContact CZ3-CB 4.33Å; D722-Y748 WeakPolarHBondContact O-CE2 3.49Å; D722-Y748 PolarHBondContact O-OH 3.1Å; D722-Y748 PolarHBondContact OD2-OH 3.34Å; D722-K753 WeakPolarHBondContact O-CD 3.42Å; D722-K753 IonicContact OD1-NZ 3.74Å; D722-K753 PolarHBondContact OD1-NZ 3.19Å; D722-K753 IonicContact OD2-NZ 2.71Å; D722-K753 PolarHBondContact OD2-NZ 2.93Å
723	V	92.8	Very high	83.1	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	162.9	177.9	-65.3	0	0	0	0	110.3	C700 V702 V721 A746 L764	C700-V723 HydrophobicContact CB-CG2 4.43Å; C700-V723 PolarHBondContact N-O 3.12Å; C700-V723 PolarHBondContact O-N 2.88Å; V702-V723 HydrophobicContact CG2-CG2 3.9Å; V721-V723 HydrophobicContact CG1-CG1 4.43Å; V723-A746 HydrophobicContact CB-CB 4.37Å; V723-A746 HydrophobicContact CG2-CB 3.93Å; V723-L764 HydrophobicContact CG2-CD1 3.58Å
724	R	91.8	Very high	83	Confident	119 Å²	119	37.9 Å²	37.9	45%	0.449	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	144.5	170.2	-69.1	-173.2	-179	-85	5	110.9	G697 L698 L699 A746 G747 Y748	G697-R724 PolarHBondContact O-NH1 3.13Å; L698-R724 VanDerWaalsContact O-CA 3.28Å; L698-R724 WeakPolarHBondContact O-CA 3.35Å; L699-R724 HydrophobicContact CD1-CG 4.3Å; R724-A746 CarbonylContact O-C 3.59Å; R724-A746 WeakPolarHBondContact O-CA 3.45Å; R724-A746 WeakPolarHBondContact O-CB 3.35Å; R724-G747 PolarHBondContact O-N 3.28Å; R724-Y748 HydrophobicContact CG-CE1 4.19Å
725	L	91.9	Very high	82.4	Confident	10 Å²	10	35.8 Å²	35.8	5%	0.052	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	143.2	165.4	-63.2	-171.4	0	0	0	110	L694 G697 L698 L744 A746 L764	L694-L725 HydrophobicContact CB-CD1 3.91Å; G697-L725 WeakPolarHBondContact CA-O 3.23Å; G697-L725 PolarHBondContact N-O 3.35Å; L698-L725 HydrophobicContact CB-CD1 4.02Å; L698-L725 HydrophobicContact CB-CG 4.17Å; L698-L725 HydrophobicContact CD2-CD1 4.04Å; L698-L725 PolarHBondContact O-N 2.97Å; L725-L744 HydrophobicContact CD2-CD1 4.17Å; L725-A746 HydrophobicContact CD2-CB 4.23Å; L725-L764 HydrophobicContact CD2-CD2 3.98Å
726	V	89.3	Confident	81.4	Confident	25 Å²	25	35.5 Å²	35.5	15%	0.152	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	140.8	-178.2	176.3	0	0	0	0	108.4	A730 C745 Y791	V726-A730 HydrophobicContact CG1-CB 3.63Å; V726-C745 HydrophobicContact CB-CB 3.82Å; V726-C745 HydrophobicContact CG1-CB 4.23Å; V726-C745 HydrophobicContact CG2-CB 4.45Å; V726-C745 PolarHBondContact N-O 3.39Å; V726-Y791 HydrophobicContact CG1-CD1 4.49Å; V726-Y791 HydrophobicContact CG1-CD2 4.18Å; V726-Y791 HydrophobicContact CG1-CE1 4.22Å; V726-Y791 HydrophobicContact CG1-CE2 3.91Å; V726-Y791 HydrophobicContact CG1-CG 4.46Å; V726-Y791 HydrophobicContact CG2-CD1 3.73Å; V726-Y791 HydrophobicContact CG2-CE1 3.83Å; V726-Y791 HydrophobicContact CG2-CG 4.18Å
727	S	79.6	Confident	79.9	Confident	45 Å²	45	36.2 Å²	36.2	32%	0.315	18%	0.183	S	C	.	.			trans	-60.4	147.9	178.3	60.5	0	0	0	0	111.3	E729 A730 C731	S727-E729 PolarHBondContact O-N 3.02Å; S727-A730 PolarHBondContact O-N 2.88Å; S727-A730 WeakPolarHBondContact OG-CB 3.4Å; S727-A730 PolarHBondContact OG-N 3.22Å; S727-C731 PolarHBondContact O-N 3.21Å
728	E	71.8	Confident	78.7	Confident	76 Å²	76	37.2 Å²	37.2	36%	0.355	19%	0.187	S	C	.	.	H	α-helix	trans	-59.1	-36.3	-178.1	-165.2	158.6	149.7	0	0	111.4	C731 V732 R796	E728-C731 WeakPolarHBondContact O-CB 3.4Å; E728-C731 PolarHBondContact O-N 2.88Å; E728-V732 WeakPolarHBondContact O-CB 3.49Å; E728-V732 WeakPolarHBondContact O-CG2 3.3Å; E728-V732 PolarHBondContact O-N 3.2Å; E728-R796 IonicContact OE1-NH1 3.89Å; E728-R796 IonicContact OE2-CZ 3.27Å; E728-R796 IonicContact OE2-NH1 3.61Å; E728-R796 PolarHBondContact OE2-NH1 3.5Å; E728-R796 IonicContact OE2-NH2 2.8Å; E728-R796 PolarHBondContact OE2-NH2 2.9Å
729	E	63.8	Low	77.8	Confident	64 Å²	64	37.5 Å²	37.5	30%	0.299	19%	0.189	S	C	.	.	H	α-helix	trans	-62	-44.9	174	-163.6	-119.5	140.1	0	0	112.8	T409 S727 C731 V732 R733	T409-E729 HydrophobicContact CG2-CB 4.47Å; T409-E729 HydrophobicContact CG2-CG 3.87Å; S727-E729 PolarHBondContact O-N 3.02Å; E729-C731 VanDerWaalsContact C-N 3.32Å; E729-C731 PolarHBondContact O-N 3.1Å; E729-V732 PolarHBondContact O-N 3.15Å; E729-R733 VanDerWaalsContact O-CB 3.27Å; E729-R733 WeakPolarHBondContact O-CB 3.39Å; E729-R733 PolarHBondContact O-N 3.06Å; E729-R733 IonicContact OE1-CZ 3.22Å; E729-R733 IonicContact OE1-NE 2.71Å; E729-R733 PolarHBondContact OE1-NE 3.5Å; E729-R733 IonicContact OE1-NH2 2.8Å; E729-R733 PolarHBondContact OE1-NH2 2.77Å; E729-R733 IonicContact OE2-NH2 3.59Å
730	A	72.1	Confident	76.8	Confident	22 Å²	22	37.3 Å²	37.3	18%	0.182	19%	0.189	C	C	.	.	H	α-helix	trans	-70	-29.7	176.3	0	0	0	0	0	112.5	V726 S727 S734	V726-A730 HydrophobicContact CG1-CB 3.63Å; S727-A730 PolarHBondContact O-N 2.88Å; S727-A730 WeakPolarHBondContact OG-CB 3.4Å; S727-A730 PolarHBondContact OG-N 3.22Å; A730-S734 PolarHBondContact O-N 3.28Å; A730-S734 PolarHBondContact O-OG 3.14Å
731	C	79.3	Confident	75.9	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.007	21%	0.208	C	C	.	.	H	α-helix	trans	-66	-51	172.2	-165.5	0	0	0	0	111.2	S727 E728 E729 R733 S734 Y735 V739 C745	S727-C731 PolarHBondContact O-N 3.21Å; E728-C731 WeakPolarHBondContact O-CB 3.4Å; E728-C731 PolarHBondContact O-N 2.88Å; E729-C731 VanDerWaalsContact C-N 3.32Å; E729-C731 PolarHBondContact O-N 3.1Å; C731-R733 VanDerWaalsContact C-N 3.28Å; C731-R733 PolarHBondContact O-N 3.01Å; C731-S734 PolarHBondContact O-N 3.38Å; C731-S734 VanDerWaalsContact O-N 3.15Å; C731-Y735 WeakPolarHBondContact O-CD2 3.33Å; C731-Y735 PolarHBondContact O-N 3.12Å; C731-Y735 VanDerWaalsContact O-N 3.15Å; C731-V739 HydrophobicContact CB-CG1 4.42Å; C731-V739 VanDerWaalsContact SG-CG2 3.58Å; C731-C745 WeakPolarHBondContact CA-SG 3.47Å; C731-C745 HydrophobicContact CB-CB 3.56Å; C731-C745 WeakPolarHBondContact CB-SG 3.48Å; C731-C745 WeakPolarHBondContact SG-CB 3.5Å; C731-C745 CovalentContact SG-SG 2.03Å; C731-C745 PolarHBondContact SG-SG 3.1Å
732	V	70.9	Confident	75.6	Confident	32 Å²	32	42.2 Å²	42.2	19%	0.194	22%	0.215	C	C	.	.	H	α-helix	trans	-63.3	-31.8	174.6	171.3	0	0	0	0	111.5	E728 E729 S734 Y735 G736 V739	E728-V732 WeakPolarHBondContact O-CB 3.49Å; E728-V732 WeakPolarHBondContact O-CG2 3.3Å; E728-V732 PolarHBondContact O-N 3.2Å; E729-V732 PolarHBondContact O-N 3.15Å; V732-S734 VanDerWaalsContact C-N 3.3Å; V732-S734 PolarHBondContact O-N 2.84Å; V732-Y735 PolarHBondContact O-N 3.48Å; V732-G736 VanDerWaalsContact O-CA 3.27Å; V732-G736 WeakPolarHBondContact O-CA 3.46Å; V732-G736 PolarHBondContact O-N 3.17Å; V732-V739 HydrophobicContact CG2-CB 4.15Å; V732-V739 HydrophobicContact CG2-CG1 3.99Å
733	R	70.1	Confident	75.5	Confident	124 Å²	124	41.7 Å²	41.7	47%	0.468	21%	0.212	S	C	.	.	H	α-helix	trans	-65.4	-30.6	174.8	-163.1	-175.3	-69.1	-154.6	3.4	113	E392 E729 C731	E392-R733 IonicContact OE1-CZ 2.72Å; E392-R733 VanDerWaalsContact OE1-CZ 3.22Å; E392-R733 IonicContact OE1-NH1 3.93Å; E392-R733 PolarHBondContact OE1-NH1 3.21Å; E392-R733 IonicContact OE1-NH2 2.71Å; E392-R733 PolarHBondContact OE1-NH2 3.29Å; E729-R733 VanDerWaalsContact O-CB 3.27Å; E729-R733 WeakPolarHBondContact O-CB 3.39Å; E729-R733 PolarHBondContact O-N 3.06Å; E729-R733 IonicContact OE1-CZ 3.22Å; E729-R733 IonicContact OE1-NE 2.71Å; E729-R733 PolarHBondContact OE1-NE 3.5Å; E729-R733 IonicContact OE1-NH2 2.8Å; E729-R733 PolarHBondContact OE1-NH2 2.77Å; E729-R733 IonicContact OE2-NH2 3.59Å; C731-R733 VanDerWaalsContact C-N 3.28Å; C731-R733 PolarHBondContact O-N 3.01Å
734	S	73.1	Confident	75.4	Confident	23 Å²	23	42.3 Å²	42.3	16%	0.161	22%	0.215	C	C	.	.	H	α-helix	trans	-82.1	-30.4	174.6	-67.4	0	0	0	0	113.7	A730 C731 V732 D789 Y790 Y791	A730-S734 PolarHBondContact O-N 3.28Å; A730-S734 PolarHBondContact O-OG 3.14Å; C731-S734 PolarHBondContact O-N 3.38Å; C731-S734 VanDerWaalsContact O-N 3.15Å; V732-S734 VanDerWaalsContact C-N 3.3Å; V732-S734 PolarHBondContact O-N 2.84Å; S734-D789 WeakPolarHBondContact CB-O 3.49Å; S734-D789 PolarHBondContact OG-O 3.43Å; S734-Y790 WeakPolarHBondContact O-CE1 3.39Å; S734-Y791 VanDerWaalsContact OG-CE2 3.25Å; S734-Y791 WeakPolarHBondContact OG-CE2 3.32Å
735	Y	66.9	Low	75.5	Confident	17 Å²	17	36.7 Å²	36.7	7%	0.067	19%	0.194	C	C	.	.	H	α-helix	trans	-123.8	-8.7	-165.5	-71.7	-66.8	0	0	0	116.2	C731 V732 L738 V739 W781 K783 Y790 Y791 V793	C731-Y735 WeakPolarHBondContact O-CD2 3.33Å; C731-Y735 PolarHBondContact O-N 3.12Å; C731-Y735 VanDerWaalsContact O-N 3.15Å; V732-Y735 PolarHBondContact O-N 3.48Å; Y735-L738 WeakPolarHBondContact O-CB 3.46Å; Y735-L738 WeakPolarHBondContact O-CG 3.42Å; Y735-V739 HydrophobicContact CD2-CG2 4.02Å; Y735-V739 HydrophobicContact CG-CG2 4.08Å; Y735-W781 AromaticContact CD1-CH2 3.46Å; Y735-W781 HydrophobicContact CD1-CH2 3.46Å; Y735-W781 VanDerWaalsContact CD1-CH2 3.46Å; Y735-W781 AromaticContact CD1-CZ3 3.5Å; Y735-W781 HydrophobicContact CD1-CZ3 3.5Å; Y735-W781 HydrophobicContact CE1-CE3 4.46Å; Y735-W781 AromaticContact CE1-CH2 3.98Å; Y735-W781 HydrophobicContact CE1-CH2 3.98Å; Y735-W781 AromaticContact CE1-CZ3 3.58Å; Y735-W781 HydrophobicContact CE1-CZ3 3.58Å; Y735-W781 AromaticContact CG-CH2 3.84Å; Y735-W781 HydrophobicContact CG-CH2 3.84Å; Y735-W781 HydrophobicContact CG-CZ3 4.3Å; Y735-K783 HydrophobicContact CE1-CB 3.89Å; Y735-K783 PolarHBondContact OH-N 3.48Å; Y735-Y790 HydrophobicContact CD1-CD1 4.36Å; Y735-Y790 AromaticContact CE1-CD1 3.73Å; Y735-Y790 HydrophobicContact CE1-CD1 3.73Å; Y735-Y790 HydrophobicContact CE1-CE1 4.32Å; Y735-Y790 AromaticContact CZ-CD1 3.83Å; Y735-Y791 VanDerWaalsContact CE2-O 3.26Å; Y735-Y791 WeakPolarHBondContact CE2-O 3.49Å; Y735-Y791 VanDerWaalsContact CZ-O 3.3Å; Y735-Y791 PolarHBondContact OH-N 2.92Å; Y735-Y791 PolarHBondContact OH-O 3.46Å; Y735-V793 HydrophobicContact CD2-CG2 3.9Å; Y735-V793 HydrophobicContact CE2-CG2 3.53Å
736	G	62.9	Low	75.7	Confident	30 Å²	30	36.2 Å²	36.2	31%	0.309	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	59.6	-144.5	-172.5	0	0	0	0	0	112.4	V732 L738 V739	V732-G736 VanDerWaalsContact O-CA 3.27Å; V732-G736 WeakPolarHBondContact O-CA 3.46Å; V732-G736 PolarHBondContact O-N 3.17Å; G736-L738 PolarHBondContact O-N 2.93Å; G736-V739 PolarHBondContact O-N 2.83Å
737	Y	57.7	Low	75.8	Confident	65 Å²	65	35.2 Å²	35.2	26%	0.255	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-67	-1.7	-179.2	66.7	-91.1	0	0	0	115.1	D279 L282 V739	D279-Y737 HydrophobicContact CB-CE1 4.02Å; D279-Y737 WeakPolarHBondContact OD1-CE1 3.27Å; D279-Y737 VanDerWaalsContact OD1-CZ 3.29Å; D279-Y737 PolarHBondContact OD1-OH 3.46Å; L282-Y737 HydrophobicContact CD2-CD1 3.41Å; L282-Y737 VanDerWaalsContact CD2-CD1 3.41Å; L282-Y737 HydrophobicContact CD2-CD2 3.84Å; L282-Y737 HydrophobicContact CD2-CE1 3.64Å; L282-Y737 HydrophobicContact CD2-CE2 4.05Å; L282-Y737 HydrophobicContact CD2-CG 3.52Å; Y737-V739 VanDerWaalsContact C-N 3.28Å
738	L	63.9	Low	76.2	Confident	54 Å²	54	35.7 Å²	35.7	28%	0.283	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-73	-23.4	176.8	-59.9	173.3	0	0	0	112.1	Y735 G736 W781	Y735-L738 WeakPolarHBondContact O-CB 3.46Å; Y735-L738 WeakPolarHBondContact O-CG 3.42Å; G736-L738 PolarHBondContact O-N 2.93Å; L738-W781 HydrophobicContact CB-CH2 3.66Å; L738-W781 HydrophobicContact CB-CZ2 3.98Å; L738-W781 HydrophobicContact CD1-CH2 4.29Å
739	V	72.8	Confident	76.7	Confident	13 Å²	13	39.6 Å²	39.6	8%	0.079	19%	0.193	C	C	.	.			trans	-85	123.6	172.4	167.3	0	0	0	0	109.2	C731 V732 Y735 G736 Y737 M743 W781	C731-V739 HydrophobicContact CB-CG1 4.42Å; C731-V739 VanDerWaalsContact SG-CG2 3.58Å; V732-V739 HydrophobicContact CG2-CB 4.15Å; V732-V739 HydrophobicContact CG2-CG1 3.99Å; Y735-V739 HydrophobicContact CD2-CG2 4.02Å; Y735-V739 HydrophobicContact CG-CG2 4.08Å; G736-V739 PolarHBondContact O-N 2.83Å; Y737-V739 VanDerWaalsContact C-N 3.28Å; V739-M743 HydrophobicContact CG1-CB 4.42Å; V739-W781 HydrophobicContact CG2-CZ2 4.4Å
740	T	71.3	Confident	77.4	Confident	18 Å²	18	41 Å²	41	11%	0.11	21%	0.21	C	C	.	.			trans	-102.8	162.1	175.4	80.6	0	0	0	0	110.8	D662 R742 M743	D662-T740 HydrophobicContact CB-CG2 4.14Å; D662-T740 WeakPolarHBondContact OD1-CB 3.1Å; D662-T740 WeakPolarHBondContact OD1-CG2 3.3Å; D662-T740 PolarHBondContact OD1-OG1 3.2Å; T740-R742 PolarHBondContact O-N 2.97Å; T740-R742 PolarHBondContact OG1-N 2.94Å; T740-R742 PolarHBondContact OG1-NE 3.11Å; T740-M743 HydrophobicContact CG2-CE 4Å; T740-M743 WeakPolarHBondContact O-CB 3.1Å; T740-M743 PolarHBondContact O-N 3.36Å
741	P	71.2	Confident	77.9	Confident	69 Å²	69	40.3 Å²	40.3	45%	0.448	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-13.8	172.1	-28.3	36.5	0	0	0	115.2	M743 R796	P741-M743 VanDerWaalsContact C-N 3.26Å; P741-R796 PolarHBondContact O-NH1 2.93Å
742	R	83.7	Confident	78	Confident	67 Å²	67	43.8 Å²	43.8	25%	0.253	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-0.1	172.3	-68.1	74.5	63.5	-177.7	7	112.4	D662 Y663 T740 R796 L800	D662-R742 VanDerWaalsContact CG-NH2 3.28Å; D662-R742 IonicContact OD1-CZ 3.91Å; D662-R742 IonicContact OD1-NE 2.65Å; D662-R742 PolarHBondContact OD1-NE 3.16Å; D662-R742 IonicContact OD1-NH2 3.21Å; D662-R742 PolarHBondContact OD1-NH2 2.7Å; D662-R742 IonicContact OD2-CZ 2.96Å; D662-R742 IonicContact OD2-NE 2.71Å; D662-R742 PolarHBondContact OD2-NE 2.7Å; D662-R742 IonicContact OD2-NH2 2.8Å; D662-R742 PolarHBondContact OD2-NH2 2.91Å; Y663-R742 HydrophobicContact CD1-CG 4.21Å; Y663-R742 HydrophobicContact CE1-CG 3.8Å; T740-R742 PolarHBondContact O-N 2.97Å; T740-R742 PolarHBondContact OG1-N 2.94Å; T740-R742 PolarHBondContact OG1-NE 3.11Å; R742-R796 WeakPolarHBondContact O-CB 3.26Å; R742-R796 PolarHBondContact O-N 3.32Å; R742-L800 HydrophobicContact CG-CD2 4.35Å
743	M	87.6	Confident	78.4	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.01	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	166.2	178.1	-58.1	175.6	-174.7	0	0	111.2	S660 H661 D662 V739 T740 P741 W781 V793 Y794 R796	S660-M743 WeakPolarHBondContact O-CE 3.43Å; H661-M743 WeakPolarHBondContact O-CE 3.15Å; D662-M743 HydrophobicContact CB-CE 4.25Å; V739-M743 HydrophobicContact CG1-CB 4.42Å; T740-M743 HydrophobicContact CG2-CE 4Å; T740-M743 WeakPolarHBondContact O-CB 3.1Å; T740-M743 PolarHBondContact O-N 3.36Å; P741-M743 VanDerWaalsContact C-N 3.26Å; M743-W781 HydrophobicContact SD-CZ2 4.2Å; M743-W781 PolarHBondContact SD-NE1 3.36Å; M743-V793 HydrophobicContact CB-CG1 3.91Å; M743-V793 HydrophobicContact CG-CG1 4.17Å; M743-V793 HydrophobicContact SD-CG1 3.76Å; M743-Y794 CarbonylContact C-O 3.57Å; M743-Y794 VanDerWaalsContact CA-O 3.27Å; M743-Y794 WeakPolarHBondContact CA-O 3.34Å; M743-R796 PolarHBondContact O-NH1 3.42Å
744	L	92.5	Very high	79	Confident	12 Å²	12	40 Å²	40	6%	0.063	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	159.7	165	63.3	80.6	0	0	0	109.8	L725 L764 Y794 R796	L725-L744 HydrophobicContact CD2-CD1 4.17Å; L744-L764 HydrophobicContact CD1-CD2 3.61Å; L744-Y794 HydrophobicContact CD1-CD2 4.03Å; L744-Y794 HydrophobicContact CD1-CG 4.22Å; L744-Y794 PolarHBondContact N-O 3.49Å; L744-Y794 PolarHBondContact O-N 3.28Å; L744-R796 HydrophobicContact CB-CB 4.32Å; L744-R796 HydrophobicContact CD2-CB 3.98Å; L744-R796 HydrophobicContact CD2-CG 4.11Å; L744-R796 HydrophobicContact CG-CB 4.25Å
745	C	93.8	Very high	79.4	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.007	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	145.5	171	-79	0	0	0	0	111.3	V726 C731 Y791 G792	V726-C745 HydrophobicContact CB-CB 3.82Å; V726-C745 HydrophobicContact CG1-CB 4.23Å; V726-C745 HydrophobicContact CG2-CB 4.45Å; V726-C745 PolarHBondContact N-O 3.39Å; C731-C745 WeakPolarHBondContact CA-SG 3.47Å; C731-C745 HydrophobicContact CB-CB 3.56Å; C731-C745 WeakPolarHBondContact CB-SG 3.48Å; C731-C745 WeakPolarHBondContact SG-CB 3.5Å; C731-C745 CovalentContact SG-SG 2.03Å; C731-C745 PolarHBondContact SG-SG 3.1Å; C745-Y791 HydrophobicContact CB-CD2 4.41Å; C745-Y791 HydrophobicContact CB-CG 4.34Å; C745-G792 WeakPolarHBondContact CA-O 3.2Å
746	A	94.8	Very high	80.1	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	142	165.1	0	0	0	0	0	111.4	V723 R724 L725 L764 G792 Y794	V723-A746 HydrophobicContact CB-CB 4.37Å; V723-A746 HydrophobicContact CG2-CB 3.93Å; R724-A746 CarbonylContact O-C 3.59Å; R724-A746 WeakPolarHBondContact O-CA 3.45Å; R724-A746 WeakPolarHBondContact O-CB 3.35Å; L725-A746 HydrophobicContact CD2-CB 4.23Å; A746-L764 HydrophobicContact CB-CD1 4.15Å; A746-L764 HydrophobicContact CB-CD2 3.97Å; A746-G792 PolarHBondContact N-O 2.84Å; A746-G792 VanDerWaalsContact N-O 3.1Å; A746-G792 PolarHBondContact O-N 3.47Å; A746-Y794 HydrophobicContact CB-CD2 4.1Å; A746-Y794 HydrophobicContact CB-CE2 3.64Å
747	G	92.1	Very high	80.7	Confident	4 Å²	4	42.2 Å²	42.2	4%	0.041	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155.2	-151.2	-179.4	0	0	0	0	0	113.3	R724	R724-G747 PolarHBondContact O-N 3.28Å
748	Y	87.1	Confident	81.6	Confident	56 Å²	56	40 Å²	40	22%	0.22	23%	0.226	C	C	.	.			trans	-137.8	139.7	174.4	-60.3	-96.1	0	0	0	110.1	D722 R724 S750 G751 K753	D722-Y748 WeakPolarHBondContact O-CE2 3.49Å; D722-Y748 PolarHBondContact O-OH 3.1Å; D722-Y748 PolarHBondContact OD2-OH 3.34Å; R724-Y748 HydrophobicContact CG-CE1 4.19Å; Y748-S750 PolarHBondContact O-N 3.34Å; Y748-S750 VanDerWaalsContact O-N 3.11Å; Y748-G751 PolarHBondContact O-N 2.87Å; Y748-K753 HydrophobicContact CD2-CB 3.96Å; Y748-K753 HydrophobicContact CD2-CD 4.2Å; Y748-K753 HydrophobicContact CE2-CB 4.1Å; Y748-K753 HydrophobicContact CE2-CD 3.68Å; Y748-K753 HydrophobicContact CE2-CG 4.46Å
749	R	82.1	Confident	82.6	Confident	158 Å²	158	38.1 Å²	38.1	60%	0.596	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-26.6	-177.8	-171.3	176.3	176.6	-177.3	-0.3	113.7	G751 D789 Y791	R749-G751 PolarHBondContact O-N 2.88Å; R749-D789 IonicContact CZ-OD1 3.5Å; R749-D789 VanDerWaalsContact CZ-OD1 3.22Å; R749-D789 IonicContact NE-OD1 2.68Å; R749-D789 PolarHBondContact NE-OD1 2.98Å; R749-D789 IonicContact NH2-OD1 3.31Å; R749-D789 PolarHBondContact NH2-OD1 3.32Å; R749-D789 PolarHBondContact O-N 3.36Å; R749-Y791 HydrophobicContact CB-CE1 4.21Å
750	S	79.8	Confident	83.4	Confident	94 Å²	94	38.7 Å²	38.7	66%	0.657	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-10.4	173.1	53.4	0	0	0	0	114.6	Y748	Y748-S750 PolarHBondContact O-N 3.34Å; Y748-S750 VanDerWaalsContact O-N 3.11Å
751	G	83.3	Confident	84.4	Confident	7 Å²	7	37.8 Å²	37.8	7%	0.072	22%	0.216	C	C	.	.			trans	68.1	-157.7	-164.4	0	0	0	0	0	112.4	Y748 R749 K753 G786	Y748-G751 PolarHBondContact O-N 2.87Å; R749-G751 PolarHBondContact O-N 2.88Å; G751-K753 VanDerWaalsContact C-N 3.31Å; G751-K753 PolarHBondContact O-N 3.34Å; G751-G786 CarbonylContact C-O 3.51Å; G751-G786 WeakPolarHBondContact CA-O 3.46Å
752	G	79.8	Confident	85.5	Confident	73 Å²	73	34.5 Å²	34.5	75%	0.753	19%	0.194	S	C	*	.	S	Bend	trans	84.7	-28.4	173	0	0	0	0	0	116.4	G786	G752-G786 PolarHBondContact N-O 3.36Å
753	K	80.9	Confident	86.1	Confident	51 Å²	51	31.3 Å²	31.3	22%	0.222	18%	0.182	C	C	.	.			trans	-124.5	120.3	171.6	-67.2	-172.4	-169.4	-176.7	0	109.7	V721 D722 Y748 G751	V721-K753 HydrophobicContact CG2-CB 3.75Å; V721-K753 HydrophobicContact CG2-CD 3.82Å; V721-K753 HydrophobicContact CG2-CG 3.86Å; D722-K753 WeakPolarHBondContact O-CD 3.42Å; D722-K753 IonicContact OD1-NZ 3.74Å; D722-K753 PolarHBondContact OD1-NZ 3.19Å; D722-K753 IonicContact OD2-NZ 2.71Å; D722-K753 PolarHBondContact OD2-NZ 2.93Å; Y748-K753 HydrophobicContact CD2-CB 3.96Å; Y748-K753 HydrophobicContact CD2-CD 4.2Å; Y748-K753 HydrophobicContact CE2-CB 4.1Å; Y748-K753 HydrophobicContact CE2-CD 3.68Å; Y748-K753 HydrophobicContact CE2-CG 4.46Å; G751-K753 VanDerWaalsContact C-N 3.31Å; G751-K753 PolarHBondContact O-N 3.34Å
754	D	81.7	Confident	86.6	Confident	27 Å²	27	31.2 Å²	31.2	14%	0.144	18%	0.182	C	C	.	.			trans	-165.1	170	-174.3	-157.8	1.7	0	0	0	110.5	G786 G792	D754-G786 VanDerWaalsContact CB-N 3.3Å; D754-G786 PolarHBondContact OD2-N 3.46Å; D754-G792 WeakPolarHBondContact OD1-CA 3.2Å; D754-G792 PolarHBondContact OD1-N 2.9Å; D754-G792 VanDerWaalsContact OD1-N 3.08Å
755	A	81	Confident	86.8	Confident	12 Å²	12	30.7 Å²	30.7	10%	0.099	18%	0.179	C	C	.	.			trans	-77.4	160.1	162.4	0	0	0	0	0	110.6	V702 D759 V779	V702-A755 HydrophobicContact CG1-CB 4.22Å; A755-D759 HydrophobicContact CB-CB 4.19Å; A755-V779 HydrophobicContact CB-CG1 3.81Å; A755-V779 HydrophobicContact CB-CG2 4.11Å
756	C	82.7	Confident	86.8	Confident	15 Å²	15	30.6 Å²	30.6	10%	0.101	18%	0.179	C	C	.	.			trans	-146.2	-173.8	178.9	-158.8	0	0	0	0	113.6	A707 G758 D759 C785	A707-C756 WeakPolarHBondContact O-CB 3.29Å; A707-C756 PolarHBondContact O-SG 2.92Å; C756-G758 PolarHBondContact O-N 2.85Å; C756-G758 VanDerWaalsContact O-N 3.13Å; C756-D759 PolarHBondContact N-OD2 3Å; C756-D759 WeakPolarHBondContact O-CB 3.17Å; C756-D759 PolarHBondContact O-N 3.09Å; C756-C785 WeakPolarHBondContact CA-SG 3.45Å; C756-C785 HydrophobicContact CB-CB 3.71Å; C756-C785 WeakPolarHBondContact CB-SG 3.28Å; C756-C785 WeakPolarHBondContact SG-CB 3.33Å; C756-C785 CovalentContact SG-SG 2.04Å; C756-C785 PolarHBondContact SG-SG 3.39Å
757	Q	75.8	Confident	86.5	Confident	89 Å²	89	34.6 Å²	34.6	42%	0.416	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	117.7	-179.1	-69.2	82.7	59.6	0	0	110.8	G706 A707 G711 C785	G706-Q757 CarbonylContact C-O 3.41Å; G706-Q757 WeakPolarHBondContact CA-O 3.31Å; A707-Q757 PolarHBondContact N-O 3.45Å; G711-Q757 VanDerWaalsContact N-OE1 3.07Å; Q757-C785 PolarHBondContact NE2-SG 3.23Å
758	G	75	Confident	86.1	Confident	17 Å²	17	35.5 Å²	35.5	18%	0.175	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.7	-8.9	-175.2	0	0	0	0	0	115	H596 C756	H596-G758 PolarHBondContact NE2-O 2.94Å; C756-G758 PolarHBondContact O-N 2.85Å; C756-G758 VanDerWaalsContact O-N 3.13Å
759	D	85.4	Confident	85.6	Confident	15 Å²	15	39.2 Å²	39.2	8%	0.08	23%	0.232	C	C	.	.			trans	-88	-9.9	167.9	-58.3	-52.5	0	0	0	112.6	G704 W705 G706 A755 C756 G761 G762 V779	G704-D759 WeakPolarHBondContact CA-OD1 3.33Å; W705-D759 PolarHBondContact N-OD1 3.03Å; G706-D759 WeakPolarHBondContact CA-OD1 3.42Å; G706-D759 PolarHBondContact N-OD1 3.1Å; A755-D759 HydrophobicContact CB-CB 4.19Å; C756-D759 PolarHBondContact N-OD2 3Å; C756-D759 WeakPolarHBondContact O-CB 3.17Å; C756-D759 PolarHBondContact O-N 3.09Å; D759-G761 PolarHBondContact O-N 3.14Å; D759-G762 WeakPolarHBondContact O-CA 3.46Å; D759-G762 PolarHBondContact O-N 2.66Å; D759-V779 HydrophobicContact CB-CG1 4.37Å; D759-V779 WeakPolarHBondContact O-CB 3.43Å
760	S	89.7	Confident	85.3	Confident	25 Å²	25	34.2 Å²	34.2	18%	0.175	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-39.2	130.6	173.9	-74	0	0	0	0	113.1	C598 G599 H613 G762	C598-S760 CarbonylContact C-O 3.45Å; C598-S760 WeakPolarHBondContact CA-O 3.47Å; C598-S760 WeakPolarHBondContact CB-O 3.28Å; G599-S760 PolarHBondContact N-O 2.83Å; H613-S760 WeakPolarHBondContact NE2-CB 3.41Å; H613-S760 PolarHBondContact NE2-OG 2.89Å; S760-G762 PolarHBondContact O-N 2.85Å
761	G	92.2	Very high	85.4	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	-8.2	-176.6	0	0	0	0	0	115.3	G599 G600 S610 D759 V779	G599-G761 CarbonylContact C-O 3.58Å; G599-G761 CarbonylContact O-C 3.51Å; G600-G761 VanDerWaalsContact CA-O 3.29Å; G600-G761 WeakPolarHBondContact CA-O 3.26Å; G600-G761 PolarHBondContact N-O 3.02Å; S610-G761 WeakPolarHBondContact OG-CA 3.49Å; D759-G761 PolarHBondContact O-N 3.14Å; G761-V779 PolarHBondContact N-O 2.97Å
762	G	94.9	Very high	85.7	Confident	0 Å²	0	32 Å²	32	0%	0	21%	0.205	C	C	.	.			trans	-65.3	157.8	175.1	0	0	0	0	0	113.3	D759 S760 V778 V779	D759-G762 WeakPolarHBondContact O-CA 3.46Å; D759-G762 PolarHBondContact O-N 2.66Å; S760-G762 PolarHBondContact O-N 2.85Å; G762-V778 WeakPolarHBondContact O-CA 3.33Å; G762-V779 WeakPolarHBondContact O-CG2 3.26Å; G762-V779 PolarHBondContact O-N 2.89Å
763	P	96.9	Very high	86.3	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	141.9	177.7	26.7	-32.1	0	0	0	113.3	A601 V765 L775	A601-P763 HydrophobicContact CB-CB 3.98Å; A601-P763 HydrophobicContact CB-CG 4.46Å; P763-V765 HydrophobicContact CB-CG1 4.11Å; P763-L775 HydrophobicContact CB-CD1 3.51Å
764	L	97.1	Very high	86.9	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	111.4	148.2	174.4	74.4	0	0	0	107.6	C700 W701 V702 V723 L725 L744 A746 A776 G777 Y794	C700-L764 HydrophobicContact CB-CD1 3.78Å; C700-L764 HydrophobicContact CB-CG 4.34Å; W701-L764 WeakPolarHBondContact O-CA 3.17Å; V702-L764 HydrophobicContact CG2-CB 4.41Å; V702-L764 HydrophobicContact CG2-CD1 3.48Å; V702-L764 VanDerWaalsContact CG2-CD1 3.48Å; V723-L764 HydrophobicContact CG2-CD1 3.58Å; L725-L764 HydrophobicContact CD2-CD2 3.98Å; L744-L764 HydrophobicContact CD1-CD2 3.61Å; A746-L764 HydrophobicContact CB-CD1 4.15Å; A746-L764 HydrophobicContact CB-CD2 3.97Å; L764-A776 PolarHBondContact O-N 3.45Å; L764-A776 VanDerWaalsContact O-N 3.09Å; L764-G777 PolarHBondContact N-O 2.87Å; L764-G777 PolarHBondContact O-N 3.16Å; L764-G777 VanDerWaalsContact O-N 3.12Å; L764-Y794 HydrophobicContact CB-CD1 3.63Å; L764-Y794 HydrophobicContact CB-CE1 3.89Å; L764-Y794 HydrophobicContact CB-CG 4.34Å; L764-Y794 HydrophobicContact CD1-CE1 4.35Å; L764-Y794 HydrophobicContact CD2-CD1 4.04Å; L764-Y794 HydrophobicContact CD2-CD2 4.18Å; L764-Y794 HydrophobicContact CD2-CE1 4.4Å; L764-Y794 HydrophobicContact CD2-CG 3.95Å; L764-Y794 HydrophobicContact CG-CD1 4.34Å; L764-Y794 HydrophobicContact CG-CE1 4.45Å
765	V	95.9	Very high	87.6	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	134.2	179	-77.6	0	0	0	0	111.9	W584 W586 A685 C700 W701 P763 W773 F774 L775	W584-V765 HydrophobicContact CE3-CG2 4.27Å; W584-V765 HydrophobicContact CZ3-CG2 3.82Å; W586-V765 HydrophobicContact CZ2-CG1 4.48Å; W586-V765 HydrophobicContact CZ2-CG2 4.14Å; A685-V765 HydrophobicContact CB-CG1 4.25Å; C700-V765 CarbonylContact C-O 3.54Å; C700-V765 WeakPolarHBondContact CA-O 3.45Å; C700-V765 WeakPolarHBondContact CB-O 3.33Å; W701-V765 HydrophobicContact CB-CG2 4.49Å; W701-V765 PolarHBondContact N-O 2.86Å; W701-V765 PolarHBondContact O-N 2.75Å; P763-V765 HydrophobicContact CB-CG1 4.11Å; V765-W773 HydrophobicContact CB-CE3 4.03Å; V765-W773 HydrophobicContact CG2-CE3 3.87Å; V765-W773 HydrophobicContact CG2-CZ3 4.25Å; V765-F774 VanDerWaalsContact CA-O 3.26Å; V765-F774 WeakPolarHBondContact CA-O 3.3Å; V765-L775 HydrophobicContact CG1-CB 4.5Å; V765-L775 HydrophobicContact CG1-CD1 4.04Å
766	C	93.6	Very high	88.3	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	153.1	175.8	-56.5	0	0	0	0	109.5	L698 C700 W773 F774 A776	L698-C766 HydrophobicContact CD2-CB 3.84Å; L698-C766 HydrophobicContact CG-CB 4.45Å; C700-C766 HydrophobicContact CB-CB 4.02Å; C700-C766 WeakPolarHBondContact CB-SG 3.35Å; C700-C766 WeakPolarHBondContact SG-CB 3.39Å; C700-C766 CovalentContact SG-SG 2.04Å; C700-C766 PolarHBondContact SG-SG 3.48Å; C766-W773 WeakPolarHBondContact O-CA 3.4Å; C766-F774 PolarHBondContact N-O 2.89Å; C766-F774 PolarHBondContact O-N 2.78Å; C766-A776 HydrophobicContact CB-CB 4.44Å; C766-A776 WeakPolarHBondContact SG-CB 3.37Å
767	Q	89.1	Confident	89	Confident	84 Å²	84	24 Å²	24	39%	0.393	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	123.7	178.4	-167	176.1	22	0	0	110	G771 R772 W773	Q767-G771 PolarHBondContact NE2-O 2.88Å; Q767-R772 WeakPolarHBondContact CA-O 3.29Å; Q767-W773 HydrophobicContact CB-CD2 3.92Å; Q767-W773 HydrophobicContact CB-CE3 4.03Å; Q767-W773 HydrophobicContact CB-CH2 3.88Å; Q767-W773 HydrophobicContact CB-CZ2 3.75Å; Q767-W773 HydrophobicContact CB-CZ3 4.02Å; Q767-W773 VanDerWaalsContact CD-CE2 3.44Å; Q767-W773 HydrophobicContact CG-CD2 4.11Å; Q767-W773 HydrophobicContact CG-CG 4.44Å; Q767-W773 HydrophobicContact CG-CH2 4.49Å; Q767-W773 HydrophobicContact CG-CZ2 3.86Å; Q767-W773 VanDerWaalsContact NE2-NE1 3.14Å
768	E	83.9	Confident	90	Very high	22 Å²	22	19.8 Å²	19.8	10%	0.103	13%	0.125	C	C	.	.			trans	-78.2	163.7	174.5	-66.1	-57.1	138.3	0	0	111.4	N544 H692 S770 G771 R772 F774	N544-E768 PolarHBondContact ND2-OE2 3.36Å; H692-E768 IonicContact CD2-OE1 3.1Å; H692-E768 IonicContact CE1-OE1 2.67Å; H692-E768 IonicContact NE2-OE1 2.59Å; H692-E768 PolarHBondContact NE2-OE1 2.82Å; E768-S770 PolarHBondContact O-N 3.14Å; E768-G771 WeakPolarHBondContact O-CA 3.5Å; E768-G771 PolarHBondContact O-N 3.27Å; E768-R772 PolarHBondContact N-O 3.09Å; E768-F774 HydrophobicContact CB-CE2 4.39Å; E768-F774 HydrophobicContact CG-CD2 3.56Å; E768-F774 HydrophobicContact CG-CE2 3.64Å
769	P	76.7	Confident	91.1	Very high	135 Å²	135	19.4 Å²	19.4	88%	0.877	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-31.5	177.9	-27.3	36.7	0	0	0	114.6	G771	P769-G771 PolarHBondContact O-N 3.03Å; P769-G771 VanDerWaalsContact O-N 3.1Å
770	S	76.1	Confident	91.4	Very high	52 Å²	52	19 Å²	19	36%	0.364	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-6.4	171.8	58.8	0	0	0	0	114.2	D548 E768 R772	D548-S770 VanDerWaalsContact O-CB 3.23Å; D548-S770 WeakPolarHBondContact O-CB 3.42Å; E768-S770 PolarHBondContact O-N 3.14Å; S770-R772 VanDerWaalsContact C-N 3.29Å; S770-R772 PolarHBondContact O-N 3.25Å
771	G	82.6	Confident	91.5	Very high	32 Å²	32	20 Å²	20	33%	0.33	12%	0.118	S	C	.	.	S	Bend	trans	85.2	-4.4	-178.8	0	0	0	0	0	114.3	Q767 E768 P769 W773	Q767-G771 PolarHBondContact NE2-O 2.88Å; E768-G771 WeakPolarHBondContact O-CA 3.5Å; E768-G771 PolarHBondContact O-N 3.27Å; P769-G771 PolarHBondContact O-N 3.03Å; P769-G771 VanDerWaalsContact O-N 3.1Å; G771-W773 PolarHBondContact O-NE1 3.47Å
772	R	88.2	Confident	91.1	Very high	22 Å²	22	21.7 Å²	21.7	8%	0.083	14%	0.135	C	C	.	.			trans	-75.8	148.9	179.6	-168.7	170.8	-60.9	-101.4	20.6	112.4	C547 C562 C564 C686 Q767 E768 S770 F774	C547-R772 WeakPolarHBondContact O-CD 3.12Å; C547-R772 VanDerWaalsContact O-CZ 3.3Å; C547-R772 PolarHBondContact O-NE 3.07Å; C547-R772 PolarHBondContact O-NH2 2.88Å; C547-R772 VanDerWaalsContact O-NH2 3.14Å; C562-R772 PolarHBondContact O-NH1 3.34Å; C564-R772 PolarHBondContact O-NH1 3.21Å; C686-R772 WeakPolarHBondContact SG-CD 3.46Å; Q767-R772 WeakPolarHBondContact CA-O 3.29Å; E768-R772 PolarHBondContact N-O 3.09Å; S770-R772 VanDerWaalsContact C-N 3.29Å; S770-R772 PolarHBondContact O-N 3.25Å; R772-F774 HydrophobicContact CB-CE2 4Å; R772-F774 HydrophobicContact CG-CD2 4.36Å; R772-F774 HydrophobicContact CG-CE2 3.77Å; R772-F774 HydrophobicContact CG-CZ 4.31Å
773	W	92.3	Very high	90.2	Very high	6 Å²	6	26.6 Å²	26.6	2%	0.023	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	121.7	-177	-66.9	76.2	0	0	0	112.9	G565 W584 W586 C686 W701 V765 C766 Q767 G771	G565-W773 VanDerWaalsContact CA-O 3.26Å; G565-W773 WeakPolarHBondContact CA-O 3.14Å; G565-W773 PolarHBondContact O-N 3.47Å; W584-W773 HydrophobicContact CH2-CE3 4.36Å; W584-W773 AromaticContact CH2-CH2 3.72Å; W584-W773 HydrophobicContact CH2-CH2 3.72Å; W584-W773 HydrophobicContact CH2-CZ2 4.39Å; W584-W773 AromaticContact CH2-CZ3 3.7Å; W584-W773 HydrophobicContact CH2-CZ3 3.7Å; W584-W773 HydrophobicContact CZ3-CD2 4.34Å; W584-W773 AromaticContact CZ3-CE3 3.84Å; W584-W773 HydrophobicContact CZ3-CE3 3.84Å; W584-W773 AromaticContact CZ3-CH2 4Å; W584-W773 HydrophobicContact CZ3-CH2 4Å; W584-W773 HydrophobicContact CZ3-CZ2 4.47Å; W584-W773 AromaticContact CZ3-CZ3 3.65Å; W584-W773 HydrophobicContact CZ3-CZ3 3.65Å; W586-W773 HydrophobicContact CH2-CB 3.35Å; W586-W773 AromaticContact CH2-CD1 3.94Å; W586-W773 HydrophobicContact CH2-CD2 4.18Å; W586-W773 AromaticContact CH2-CG 3.51Å; W586-W773 HydrophobicContact CH2-CG 3.51Å; W586-W773 HydrophobicContact CZ2-CB 3.73Å; W586-W773 HydrophobicContact CZ2-CD2 4.19Å; W586-W773 HydrophobicContact CZ2-CE3 4.4Å; W586-W773 AromaticContact CZ2-CG 3.91Å; W586-W773 HydrophobicContact CZ2-CG 3.91Å; W586-W773 HydrophobicContact CZ3-CB 4.16Å; C686-W773 PolarHBondContact N-O 2.72Å; W701-W773 HydrophobicContact CB-CZ3 4.26Å; W701-W773 AromaticContact CD1-CH2 3.5Å; W701-W773 AromaticContact CD1-CZ3 3.6Å; W701-W773 HydrophobicContact CG-CH2 4.25Å; W701-W773 HydrophobicContact CG-CZ3 4.16Å; W701-W773 AromaticContact NE1-CH2 3.9Å; V765-W773 HydrophobicContact CB-CE3 4.03Å; V765-W773 HydrophobicContact CG2-CE3 3.87Å; V765-W773 HydrophobicContact CG2-CZ3 4.25Å; C766-W773 WeakPolarHBondContact O-CA 3.4Å; Q767-W773 HydrophobicContact CB-CD2 3.92Å; Q767-W773 HydrophobicContact CB-CE3 4.03Å; Q767-W773 HydrophobicContact CB-CH2 3.88Å; Q767-W773 HydrophobicContact CB-CZ2 3.75Å; Q767-W773 HydrophobicContact CB-CZ3 4.02Å; Q767-W773 VanDerWaalsContact CD-CE2 3.44Å; Q767-W773 HydrophobicContact CG-CD2 4.11Å; Q767-W773 HydrophobicContact CG-CG 4.44Å; Q767-W773 HydrophobicContact CG-CH2 4.49Å; Q767-W773 HydrophobicContact CG-CZ2 3.86Å; Q767-W773 VanDerWaalsContact NE2-NE1 3.14Å; G771-W773 PolarHBondContact O-NE1 3.47Å
774	F	94.3	Very high	89.2	Confident	4 Å²	4	27.5 Å²	27.5	2%	0.018	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	141.9	-179.5	-71.3	-99.8	0	0	0	111.7	E546 C686 P688 H692 V765 C766 E768 R772 A776	E546-F774 WeakPolarHBondContact O-CZ 3.2Å; C686-F774 HydrophobicContact CB-CD1 3.4Å; C686-F774 HydrophobicContact CB-CD2 4.33Å; C686-F774 HydrophobicContact CB-CE1 3.5Å; C686-F774 VanDerWaalsContact CB-CE1 3.5Å; C686-F774 HydrophobicContact CB-CE2 4.42Å; C686-F774 HydrophobicContact CB-CG 3.85Å; C686-F774 HydrophobicContact CB-CZ 4.03Å; C686-F774 WeakPolarHBondContact O-CA 3.31Å; P688-F774 HydrophobicContact CB-CD1 4.05Å; H692-F774 AromaticContact CE1-CD1 3.65Å; H692-F774 AromaticContact CE1-CD2 3.88Å; H692-F774 AromaticContact CE1-CE1 3.87Å; H692-F774 AromaticContact CE1-CG 3.65Å; H692-F774 AromaticContact ND1-CD1 3.86Å; V765-F774 VanDerWaalsContact CA-O 3.26Å; V765-F774 WeakPolarHBondContact CA-O 3.3Å; C766-F774 PolarHBondContact N-O 2.89Å; C766-F774 PolarHBondContact O-N 2.78Å; E768-F774 HydrophobicContact CB-CE2 4.39Å; E768-F774 HydrophobicContact CG-CD2 3.56Å; E768-F774 HydrophobicContact CG-CE2 3.64Å; R772-F774 HydrophobicContact CB-CE2 4Å; R772-F774 HydrophobicContact CG-CD2 4.36Å; R772-F774 HydrophobicContact CG-CE2 3.77Å; R772-F774 HydrophobicContact CG-CZ 4.31Å; F774-A776 PolarHBondContact O-N 2.87Å; F774-A776 VanDerWaalsContact O-N 3.11Å
775	L	96.6	Very high	88.4	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	87.4	175.6	-173.7	70.8	0	0	0	110.1	A601 I603 A609 A685 C686 P688 P763 V765 G777 V778 I797	A601-L775 HydrophobicContact CB-CD1 3.81Å; A601-L775 HydrophobicContact CB-CD2 3.95Å; I603-L775 HydrophobicContact CG2-CD2 3.72Å; A609-L775 HydrophobicContact CB-CD2 4.36Å; A685-L775 HydrophobicContact CB-CB 4.31Å; C686-L775 PolarHBondContact O-N 3.48Å; P688-L775 VanDerWaalsContact CD-O 3.3Å; P688-L775 WeakPolarHBondContact CD-O 3.38Å; P688-L775 WeakPolarHBondContact CG-O 3.29Å; P763-L775 HydrophobicContact CB-CD1 3.51Å; V765-L775 HydrophobicContact CG1-CB 4.5Å; V765-L775 HydrophobicContact CG1-CD1 4.04Å; L775-G777 WeakPolarHBondContact CD1-O 3.31Å; L775-V778 HydrophobicContact CD2-CG2 4.39Å; L775-I797 HydrophobicContact CD2-CD1 4.44Å; L775-I797 HydrophobicContact CD2-CG1 4.27Å; L775-I797 HydrophobicContact CG-CG1 4.2Å; L775-I797 VanDerWaalsContact O-CB 3.32Å; L775-I797 WeakPolarHBondContact O-CB 3.41Å; L775-I797 WeakPolarHBondContact O-CG2 3.25Å
776	A	96.1	Very high	87.4	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.008	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	-35	177.4	0	0	0	0	0	112.4	L694 L764 C766 F774 I797	L694-A776 HydrophobicContact CD1-CB 3.93Å; L694-A776 HydrophobicContact CD2-CB 3.98Å; L764-A776 PolarHBondContact O-N 3.45Å; L764-A776 VanDerWaalsContact O-N 3.09Å; C766-A776 HydrophobicContact CB-CB 4.44Å; C766-A776 WeakPolarHBondContact SG-CB 3.37Å; F774-A776 PolarHBondContact O-N 2.87Å; F774-A776 VanDerWaalsContact O-N 3.11Å; A776-I797 PolarHBondContact O-N 2.85Å; A776-I797 VanDerWaalsContact O-N 3.09Å
777	G	96.8	Very high	86.7	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	169.4	-177.3	0	0	0	0	0	115.5	L764 L775 T795	L764-G777 PolarHBondContact N-O 2.87Å; L764-G777 PolarHBondContact O-N 3.16Å; L764-G777 VanDerWaalsContact O-N 3.12Å; L775-G777 WeakPolarHBondContact CD1-O 3.31Å; G777-T795 VanDerWaalsContact CA-O 3.23Å; G777-T795 WeakPolarHBondContact CA-O 3.13Å
778	V	97.5	Very high	86.2	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	133.5	171.4	167.4	0	0	0	0	108.8	A611 L665 G762 L775 S780 Y794 T795 I797	A611-V778 HydrophobicContact CB-CG1 4.2Å; L665-V778 HydrophobicContact CD1-CG2 4.27Å; G762-V778 WeakPolarHBondContact O-CA 3.33Å; L775-V778 HydrophobicContact CD2-CG2 4.39Å; V778-S780 PolarHBondContact O-N 2.75Å; V778-Y794 CarbonylContact O-C 3.52Å; V778-Y794 WeakPolarHBondContact O-CA 3.35Å; V778-Y794 WeakPolarHBondContact O-CB 3.47Å; V778-T795 PolarHBondContact N-O 2.96Å; V778-T795 PolarHBondContact O-N 3.47Å; V778-I797 HydrophobicContact CG2-CD1 4.01Å
779	V	96.5	Very high	85.9	Confident	10 Å²	10	37 Å²	37	6%	0.061	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	117.1	180	177	0	0	0	0	109.7	V702 A755 D759 G761 G762 Y794	V702-V779 HydrophobicContact CG1-CG2 3.86Å; A755-V779 HydrophobicContact CB-CG1 3.81Å; A755-V779 HydrophobicContact CB-CG2 4.11Å; D759-V779 HydrophobicContact CB-CG1 4.37Å; D759-V779 WeakPolarHBondContact O-CB 3.43Å; G761-V779 PolarHBondContact N-O 2.97Å; G762-V779 WeakPolarHBondContact O-CG2 3.26Å; G762-V779 PolarHBondContact O-N 2.89Å; V779-Y794 HydrophobicContact CB-CD1 4.43Å; V779-Y794 HydrophobicContact CB-CE1 4.42Å; V779-Y794 HydrophobicContact CG2-CD1 3.99Å; V779-Y794 HydrophobicContact CG2-CE1 3.64Å
780	S	93.1	Very high	86.1	Confident	6 Å²	6	33.7 Å²	33.7	4%	0.042	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	-66.3	-176.1	177.5	0	0	0	0	112.1	H613 D664 V778 V793	H613-S780 PolarHBondContact CE1-O 3.28Å; D664-S780 WeakPolarHBondContact CB-OG 3.34Å; D664-S780 WeakPolarHBondContact OD2-CA 3.42Å; D664-S780 VanDerWaalsContact OD2-CB 3.31Å; D664-S780 WeakPolarHBondContact OD2-CB 3.48Å; D664-S780 PolarHBondContact OD2-OG 3.26Å; V778-S780 PolarHBondContact O-N 2.75Å; S780-V793 PolarHBondContact N-O 2.86Å
781	W	90.3	Very high	86.8	Confident	46 Å²	46	32.2 Å²	32.2	17%	0.174	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	173.7	-175.9	68.2	-83.3	0	0	0	113.8	H661 Y735 L738 V739 M743 V793	H661-W781 HydrophobicContact CB-CB 4.49Å; H661-W781 VanDerWaalsContact CB-CD1 3.44Å; H661-W781 HydrophobicContact CB-CG 4.09Å; H661-W781 AromaticContact CG-CD1 3.95Å; Y735-W781 AromaticContact CD1-CH2 3.46Å; Y735-W781 HydrophobicContact CD1-CH2 3.46Å; Y735-W781 VanDerWaalsContact CD1-CH2 3.46Å; Y735-W781 AromaticContact CD1-CZ3 3.5Å; Y735-W781 HydrophobicContact CD1-CZ3 3.5Å; Y735-W781 HydrophobicContact CE1-CE3 4.46Å; Y735-W781 AromaticContact CE1-CH2 3.98Å; Y735-W781 HydrophobicContact CE1-CH2 3.98Å; Y735-W781 AromaticContact CE1-CZ3 3.58Å; Y735-W781 HydrophobicContact CE1-CZ3 3.58Å; Y735-W781 AromaticContact CG-CH2 3.84Å; Y735-W781 HydrophobicContact CG-CH2 3.84Å; Y735-W781 HydrophobicContact CG-CZ3 4.3Å; L738-W781 HydrophobicContact CB-CH2 3.66Å; L738-W781 HydrophobicContact CB-CZ2 3.98Å; L738-W781 HydrophobicContact CD1-CH2 4.29Å; V739-W781 HydrophobicContact CG2-CZ2 4.4Å; M743-W781 HydrophobicContact SD-CZ2 4.2Å; M743-W781 PolarHBondContact SD-NE1 3.36Å; W781-V793 HydrophobicContact CD2-CB 4.05Å; W781-V793 HydrophobicContact CD2-CG1 4.47Å; W781-V793 HydrophobicContact CD2-CG2 4.15Å; W781-V793 HydrophobicContact CE3-CG2 4.37Å; W781-V793 HydrophobicContact CG-CB 4.19Å; W781-V793 HydrophobicContact CH2-CG2 4.24Å; W781-V793 HydrophobicContact CZ2-CB 4.31Å; W781-V793 HydrophobicContact CZ2-CG1 4.09Å; W781-V793 HydrophobicContact CZ2-CG2 4.02Å; W781-V793 HydrophobicContact CZ3-CG2 4.42Å; W781-V793 PolarHBondContact N-O 3.5Å; W781-V793 VanDerWaalsContact N-O 3.09Å; W781-V793 WeakPolarHBondContact O-CA 3.29Å; W781-V793 WeakPolarHBondContact O-CB 3.3Å; W781-V793 PolarHBondContact O-N 2.84Å
782	G	84.8	Confident	87.3	Confident	35 Å²	35	30.9 Å²	30.9	36%	0.361	17%	0.165	S	C	.	.			trans	-174.3	165.4	178	0	0	0	0	0	111.9	G784	G782-G784 PolarHBondContact O-N 2.9Å
783	K	76.6	Confident	87.6	Confident	103 Å²	103	29.9 Å²	29.9	45%	0.448	16%	0.162	S	C	.	.	S	Bend	trans	-99.5	81.9	-179.7	-168.5	-177.3	-166	169.1	0	111.4	Y735 R787 Y790	Y735-K783 HydrophobicContact CE1-CB 3.89Å; Y735-K783 PolarHBondContact OH-N 3.48Å; K783-R787 VanDerWaalsContact O-CD 3.22Å; K783-R787 WeakPolarHBondContact O-CD 3.42Å; K783-R787 PolarHBondContact O-NE 2.84Å; K783-Y790 HydrophobicContact CB-CD1 4.01Å; K783-Y790 HydrophobicContact CB-CE1 4.36Å; K783-Y790 HydrophobicContact CB-CG 4.4Å; K783-Y790 HydrophobicContact CD-CD1 3.79Å; K783-Y790 HydrophobicContact CD-CE1 3.28Å; K783-Y790 HydrophobicContact CD-CE2 4.19Å; K783-Y790 HydrophobicContact CD-CG 4.42Å; K783-Y790 HydrophobicContact CG-CE1 4.43Å; K783-Y790 PolarHBondContact NZ-OH 2.89Å
784	G	75.6	Confident	87.8	Confident	19 Å²	19	29.6 Å²	29.6	20%	0.196	16%	0.161	C	C	.	.	S	Bend	trans	81.3	-158.6	-164.9	0	0	0	0	0	110.7	E710 G782	E710-G784 VanDerWaalsContact CD-CA 3.49Å; E710-G784 WeakPolarHBondContact OE2-CA 3.13Å; G782-G784 PolarHBondContact O-N 2.9Å
785	C	79.4	Confident	87.8	Confident	25 Å²	25	29.5 Å²	29.5	17%	0.169	16%	0.16	C	C	.	.	S	Bend	trans	-127.1	119.2	174.9	-50.7	0	0	0	0	110.4	E710 C756 Q757 R787	E710-C785 HydrophobicContact CB-CB 4.19Å; E710-C785 PolarHBondContact OE2-N 3.19Å; C756-C785 WeakPolarHBondContact CA-SG 3.45Å; C756-C785 HydrophobicContact CB-CB 3.71Å; C756-C785 WeakPolarHBondContact CB-SG 3.28Å; C756-C785 WeakPolarHBondContact SG-CB 3.33Å; C756-C785 CovalentContact SG-SG 2.04Å; C756-C785 PolarHBondContact SG-SG 3.39Å; Q757-C785 PolarHBondContact NE2-SG 3.23Å; C785-R787 VanDerWaalsContact C-N 3.33Å; C785-R787 PolarHBondContact O-N 3.08Å
786	G	75.7	Confident	87.7	Confident	15 Å²	15	31.6 Å²	31.6	16%	0.155	17%	0.168	C	C	.	.	S	Bend	trans	63	34.1	173.6	0	0	0	0	0	114.3	G751 G752 D754	G751-G786 CarbonylContact C-O 3.51Å; G751-G786 WeakPolarHBondContact CA-O 3.46Å; G752-G786 PolarHBondContact N-O 3.36Å; D754-G786 VanDerWaalsContact CB-N 3.3Å; D754-G786 PolarHBondContact OD2-N 3.46Å
787	R	78.7	Confident	87.6	Confident	105 Å²	105	31.5 Å²	31.5	40%	0.396	17%	0.168	S	C	.	.			trans	-76.6	143.7	175.7	-60.7	-166.7	-177.1	178	-0.3	111	E710 K783 C785 Y790	E710-R787 VanDerWaalsContact CD-NH2 3.33Å; E710-R787 IonicContact OE1-CZ 3.83Å; E710-R787 IonicContact OE1-NE 2.69Å; E710-R787 IonicContact OE1-NH2 3.15Å; E710-R787 PolarHBondContact OE1-NH2 3.33Å; E710-R787 IonicContact OE2-CZ 2.82Å; E710-R787 IonicContact OE2-NE 2.67Å; E710-R787 PolarHBondContact OE2-NE 3.09Å; E710-R787 IonicContact OE2-NH2 3.64Å; E710-R787 PolarHBondContact OE2-NH2 3.45Å; K783-R787 VanDerWaalsContact O-CD 3.22Å; K783-R787 WeakPolarHBondContact O-CD 3.42Å; K783-R787 PolarHBondContact O-NE 2.84Å; C785-R787 VanDerWaalsContact C-N 3.33Å; C785-R787 PolarHBondContact O-N 3.08Å; R787-Y790 HydrophobicContact CB-CD2 4.29Å; R787-Y790 PolarHBondContact O-N 2.84Å
788	P	78.1	Confident	87.2	Confident	85 Å²	85	32.1 Å²	32.1	55%	0.552	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	146.1	174.6	-24	34	0	0	0	112.8	Y790	P788-Y790 VanDerWaalsContact O-CD2 3.3Å; P788-Y790 WeakPolarHBondContact O-CD2 3.42Å; P788-Y790 PolarHBondContact O-N 3.44Å; P788-Y790 VanDerWaalsContact O-N 3.16Å
789	D	77.4	Confident	86.6	Confident	77 Å²	77	38.2 Å²	38.2	41%	0.412	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	14.1	-174.3	-65.2	-74	0	0	0	115.4	S734 R749	S734-D789 WeakPolarHBondContact CB-O 3.49Å; S734-D789 PolarHBondContact OG-O 3.43Å; R749-D789 IonicContact CZ-OD1 3.5Å; R749-D789 VanDerWaalsContact CZ-OD1 3.22Å; R749-D789 IonicContact NE-OD1 2.68Å; R749-D789 PolarHBondContact NE-OD1 2.98Å; R749-D789 IonicContact NH2-OD1 3.31Å; R749-D789 PolarHBondContact NH2-OD1 3.32Å; R749-D789 PolarHBondContact O-N 3.36Å
790	Y	82.4	Confident	86.2	Confident	65 Å²	65	38 Å²	38	26%	0.255	19%	0.193	S	C	.	.			trans	-126.1	155.1	170.6	-67.3	-82.5	0	0	0	110.7	S734 Y735 K783 R787 P788	S734-Y790 WeakPolarHBondContact O-CE1 3.39Å; Y735-Y790 HydrophobicContact CD1-CD1 4.36Å; Y735-Y790 AromaticContact CE1-CD1 3.73Å; Y735-Y790 HydrophobicContact CE1-CD1 3.73Å; Y735-Y790 HydrophobicContact CE1-CE1 4.32Å; Y735-Y790 AromaticContact CZ-CD1 3.83Å; K783-Y790 HydrophobicContact CB-CD1 4.01Å; K783-Y790 HydrophobicContact CB-CE1 4.36Å; K783-Y790 HydrophobicContact CB-CG 4.4Å; K783-Y790 HydrophobicContact CD-CD1 3.79Å; K783-Y790 HydrophobicContact CD-CE1 3.28Å; K783-Y790 HydrophobicContact CD-CE2 4.19Å; K783-Y790 HydrophobicContact CD-CG 4.42Å; K783-Y790 HydrophobicContact CG-CE1 4.43Å; K783-Y790 PolarHBondContact NZ-OH 2.89Å; R787-Y790 HydrophobicContact CB-CD2 4.29Å; R787-Y790 PolarHBondContact O-N 2.84Å; P788-Y790 VanDerWaalsContact O-CD2 3.3Å; P788-Y790 WeakPolarHBondContact O-CD2 3.42Å; P788-Y790 PolarHBondContact O-N 3.44Å; P788-Y790 VanDerWaalsContact O-N 3.16Å
791	Y	90.6	Very high	85.9	Confident	20 Å²	20	37.7 Å²	37.7	8%	0.078	19%	0.191	C	C	.	.			trans	-134.9	152.2	-176.2	-48.3	-80.2	0	0	0	110.2	V726 S734 Y735 C745 R749	V726-Y791 HydrophobicContact CG1-CD1 4.49Å; V726-Y791 HydrophobicContact CG1-CD2 4.18Å; V726-Y791 HydrophobicContact CG1-CE1 4.22Å; V726-Y791 HydrophobicContact CG1-CE2 3.91Å; V726-Y791 HydrophobicContact CG1-CG 4.46Å; V726-Y791 HydrophobicContact CG2-CD1 3.73Å; V726-Y791 HydrophobicContact CG2-CE1 3.83Å; V726-Y791 HydrophobicContact CG2-CG 4.18Å; S734-Y791 VanDerWaalsContact OG-CE2 3.25Å; S734-Y791 WeakPolarHBondContact OG-CE2 3.32Å; Y735-Y791 VanDerWaalsContact CE2-O 3.26Å; Y735-Y791 WeakPolarHBondContact CE2-O 3.49Å; Y735-Y791 VanDerWaalsContact CZ-O 3.3Å; Y735-Y791 PolarHBondContact OH-N 2.92Å; Y735-Y791 PolarHBondContact OH-O 3.46Å; C745-Y791 HydrophobicContact CB-CD2 4.41Å; C745-Y791 HydrophobicContact CB-CG 4.34Å; R749-Y791 HydrophobicContact CB-CE1 4.21Å
792	G	92.2	Very high	85.6	Confident	4 Å²	4	40.1 Å²	40.1	4%	0.041	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	138.9	168	0	0	0	0	0	110.8	C745 A746 D754 Y794	C745-G792 WeakPolarHBondContact CA-O 3.2Å; A746-G792 PolarHBondContact N-O 2.84Å; A746-G792 VanDerWaalsContact N-O 3.1Å; A746-G792 PolarHBondContact O-N 3.47Å; D754-G792 WeakPolarHBondContact OD1-CA 3.2Å; D754-G792 PolarHBondContact OD1-N 2.9Å; D754-G792 VanDerWaalsContact OD1-N 3.08Å; G792-Y794 VanDerWaalsContact O-CD2 3.3Å; G792-Y794 WeakPolarHBondContact O-CD2 3.21Å; G792-Y794 WeakPolarHBondContact O-CE2 3.17Å
793	V	94.8	Very high	85.7	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	127.3	178.3	-170.1	0	0	0	0	109.1	Y735 M743 S780 W781	Y735-V793 HydrophobicContact CD2-CG2 3.9Å; Y735-V793 HydrophobicContact CE2-CG2 3.53Å; M743-V793 HydrophobicContact CB-CG1 3.91Å; M743-V793 HydrophobicContact CG-CG1 4.17Å; M743-V793 HydrophobicContact SD-CG1 3.76Å; S780-V793 PolarHBondContact N-O 2.86Å; W781-V793 HydrophobicContact CD2-CB 4.05Å; W781-V793 HydrophobicContact CD2-CG1 4.47Å; W781-V793 HydrophobicContact CD2-CG2 4.15Å; W781-V793 HydrophobicContact CE3-CG2 4.37Å; W781-V793 HydrophobicContact CG-CB 4.19Å; W781-V793 HydrophobicContact CH2-CG2 4.24Å; W781-V793 HydrophobicContact CZ2-CB 4.31Å; W781-V793 HydrophobicContact CZ2-CG1 4.09Å; W781-V793 HydrophobicContact CZ2-CG2 4.02Å; W781-V793 HydrophobicContact CZ3-CG2 4.42Å; W781-V793 PolarHBondContact N-O 3.5Å; W781-V793 VanDerWaalsContact N-O 3.09Å; W781-V793 WeakPolarHBondContact O-CA 3.29Å; W781-V793 WeakPolarHBondContact O-CB 3.3Å; W781-V793 PolarHBondContact O-N 2.84Å
794	Y	96.6	Very high	86.5	Confident	1 Å²	1	35 Å²	35	0%	0.004	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	144.4	-172.5	-53.5	-104.6	0	0	0	109.4	V702 M743 L744 A746 L764 V778 V779 G792 R796	V702-Y794 HydrophobicContact CG1-CE1 4.48Å; V702-Y794 HydrophobicContact CG2-CE1 3.78Å; V702-Y794 WeakPolarHBondContact CG2-OH 3.47Å; M743-Y794 CarbonylContact C-O 3.57Å; M743-Y794 VanDerWaalsContact CA-O 3.27Å; M743-Y794 WeakPolarHBondContact CA-O 3.34Å; L744-Y794 HydrophobicContact CD1-CD2 4.03Å; L744-Y794 HydrophobicContact CD1-CG 4.22Å; L744-Y794 PolarHBondContact N-O 3.49Å; L744-Y794 PolarHBondContact O-N 3.28Å; A746-Y794 HydrophobicContact CB-CD2 4.1Å; A746-Y794 HydrophobicContact CB-CE2 3.64Å; L764-Y794 HydrophobicContact CB-CD1 3.63Å; L764-Y794 HydrophobicContact CB-CE1 3.89Å; L764-Y794 HydrophobicContact CB-CG 4.34Å; L764-Y794 HydrophobicContact CD1-CE1 4.35Å; L764-Y794 HydrophobicContact CD2-CD1 4.04Å; L764-Y794 HydrophobicContact CD2-CD2 4.18Å; L764-Y794 HydrophobicContact CD2-CE1 4.4Å; L764-Y794 HydrophobicContact CD2-CG 3.95Å; L764-Y794 HydrophobicContact CG-CD1 4.34Å; L764-Y794 HydrophobicContact CG-CE1 4.45Å; V778-Y794 CarbonylContact O-C 3.52Å; V778-Y794 WeakPolarHBondContact O-CA 3.35Å; V778-Y794 WeakPolarHBondContact O-CB 3.47Å; V779-Y794 HydrophobicContact CB-CD1 4.43Å; V779-Y794 HydrophobicContact CB-CE1 4.42Å; V779-Y794 HydrophobicContact CG2-CD1 3.99Å; V779-Y794 HydrophobicContact CG2-CE1 3.64Å; G792-Y794 VanDerWaalsContact O-CD2 3.3Å; G792-Y794 WeakPolarHBondContact O-CD2 3.21Å; G792-Y794 WeakPolarHBondContact O-CE2 3.17Å; Y794-R796 PolarHBondContact O-N 3.21Å
795	T	94.8	Very high	87.1	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.012	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	118.9	173.5	-50.6	0	0	0	0	108.8	D664 L665 G777 V778 I797 L800	D664-T795 PolarHBondContact O-OG1 2.85Å; L665-T795 HydrophobicContact CB-CG2 4.43Å; G777-T795 VanDerWaalsContact CA-O 3.23Å; G777-T795 WeakPolarHBondContact CA-O 3.13Å; V778-T795 PolarHBondContact N-O 2.96Å; V778-T795 PolarHBondContact O-N 3.47Å; T795-I797 PolarHBondContact O-N 3.37Å; T795-L800 HydrophobicContact CG2-CD1 3.44Å; T795-L800 VanDerWaalsContact CG2-CD1 3.44Å
796	R	93.4	Very high	87.5	Confident	43 Å²	43	43.3 Å²	43.3	16%	0.162	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	107	-176.1	173.7	-174.4	-85.5	153.5	-15.3	110.1	E728 P741 R742 M743 L744 Y794 T798 R799	E728-R796 IonicContact OE1-NH1 3.89Å; E728-R796 IonicContact OE2-CZ 3.27Å; E728-R796 IonicContact OE2-NH1 3.61Å; E728-R796 PolarHBondContact OE2-NH1 3.5Å; E728-R796 IonicContact OE2-NH2 2.8Å; E728-R796 PolarHBondContact OE2-NH2 2.9Å; P741-R796 PolarHBondContact O-NH1 2.93Å; R742-R796 WeakPolarHBondContact O-CB 3.26Å; R742-R796 PolarHBondContact O-N 3.32Å; M743-R796 PolarHBondContact O-NH1 3.42Å; L744-R796 HydrophobicContact CB-CB 4.32Å; L744-R796 HydrophobicContact CD2-CB 3.98Å; L744-R796 HydrophobicContact CD2-CG 4.11Å; L744-R796 HydrophobicContact CG-CB 4.25Å; Y794-R796 PolarHBondContact O-N 3.21Å; R796-T798 WeakPolarHBondContact CG-OG1 3.29Å; R796-T798 PolarHBondContact O-N 3.5Å; R796-R799 HydrophobicContact CG-CG 4.17Å; R796-R799 PolarHBondContact O-N 2.95Å
797	I	94.8	Very high	88.1	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-66.9	-36.2	-170.6	-68.9	-65.2	0	0	0	112.9	L665 L687 P688 L775 A776 V778 T795 R799 L800 T801 I804	L665-I797 HydrophobicContact CD1-CD1 3.91Å; L665-I797 HydrophobicContact CD2-CD1 4.4Å; L687-I797 HydrophobicContact CD1-CG2 3.53Å; P688-I797 HydrophobicContact CG-CG2 4.05Å; L775-I797 HydrophobicContact CD2-CD1 4.44Å; L775-I797 HydrophobicContact CD2-CG1 4.27Å; L775-I797 HydrophobicContact CG-CG1 4.2Å; L775-I797 VanDerWaalsContact O-CB 3.32Å; L775-I797 WeakPolarHBondContact O-CB 3.41Å; L775-I797 WeakPolarHBondContact O-CG2 3.25Å; A776-I797 PolarHBondContact O-N 2.85Å; A776-I797 VanDerWaalsContact O-N 3.09Å; V778-I797 HydrophobicContact CG2-CD1 4.01Å; T795-I797 PolarHBondContact O-N 3.37Å; I797-R799 PolarHBondContact O-N 2.89Å; I797-R799 VanDerWaalsContact O-N 3.09Å; I797-L800 CarbonylContact O-C 3.6Å; I797-L800 WeakPolarHBondContact O-CA 3.35Å; I797-L800 PolarHBondContact O-N 3.29Å; I797-T801 PolarHBondContact O-N 2.93Å; I797-T801 PolarHBondContact O-OG1 3.39Å; I797-T801 VanDerWaalsContact O-OG1 3.09Å; I797-I804 HydrophobicContact CD1-CD1 4.16Å; I797-I804 HydrophobicContact CG2-CD1 4.08Å
798	T	89.1	Confident	88.6	Confident	12 Å²	12	41.1 Å²	41.1	7%	0.074	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-55.6	-31.3	179.1	54.9	0	0	0	0	113.4	P688 P690 H692 L694 R796	P688-T798 HydrophobicContact CB-CG2 3.97Å; P688-T798 HydrophobicContact CG-CG2 3.89Å; P690-T798 WeakPolarHBondContact CA-O 3.12Å; H692-T798 HydrophobicContact CB-CG2 3.95Å; L694-T798 HydrophobicContact CD1-CG2 3.77Å; L694-T798 HydrophobicContact CG-CG2 4.49Å; R796-T798 WeakPolarHBondContact CG-OG1 3.29Å; R796-T798 PolarHBondContact O-N 3.5Å
799	R	84.9	Confident	88.9	Confident	128 Å²	128	41.6 Å²	41.6	48%	0.483	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-79.4	-14.7	175.5	-64.8	-61.3	-171.8	-162.1	-0.7	114.1	R796 I797	R796-R799 HydrophobicContact CG-CG 4.17Å; R796-R799 PolarHBondContact O-N 2.95Å; I797-R799 PolarHBondContact O-N 2.89Å; I797-R799 VanDerWaalsContact O-N 3.09Å
800	L	86.2	Confident	88.5	Confident	6 Å²	6	41.1 Å²	41.1	3%	0.031	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115	-6.6	-179.1	-56.6	-175.1	0	0	0	113.9	Y663 L665 R742 T795 I797 N802 W803 I804	Y663-L800 HydrophobicContact CD1-CD2 3.6Å; Y663-L800 HydrophobicContact CE1-CD2 3.7Å; L665-L800 HydrophobicContact CB-CD1 4Å; L665-L800 HydrophobicContact CD2-CB 3.89Å; L665-L800 HydrophobicContact CD2-CD1 3.67Å; L665-L800 HydrophobicContact CD2-CG 4.44Å; L665-L800 HydrophobicContact CG-CD1 4.46Å; R742-L800 HydrophobicContact CG-CD2 4.35Å; T795-L800 HydrophobicContact CG2-CD1 3.44Å; T795-L800 VanDerWaalsContact CG2-CD1 3.44Å; I797-L800 CarbonylContact O-C 3.6Å; I797-L800 WeakPolarHBondContact O-CA 3.35Å; I797-L800 PolarHBondContact O-N 3.29Å; L800-N802 PolarHBondContact O-N 3.44Å; L800-N802 VanDerWaalsContact O-N 3.07Å; L800-W803 PolarHBondContact O-N 2.9Å; L800-I804 WeakPolarHBondContact O-CG1 3.36Å; L800-I804 PolarHBondContact O-N 3.03Å
801	T	88	Confident	86.8	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-49	-36.9	177.4	-66.9	0	0	0	0	112.8	L687 P688 I797 I804 K805	L687-T801 HydrophobicContact CD2-CG2 3.94Å; L687-T801 HydrophobicContact CG-CG2 4.15Å; P688-T801 WeakPolarHBondContact O-CB 3.34Å; P688-T801 VanDerWaalsContact O-CG2 3.31Å; P688-T801 WeakPolarHBondContact O-CG2 3.5Å; P688-T801 PolarHBondContact O-OG1 3.48Å; I797-T801 PolarHBondContact O-N 2.93Å; I797-T801 PolarHBondContact O-OG1 3.39Å; I797-T801 VanDerWaalsContact O-OG1 3.09Å; T801-I804 PolarHBondContact O-N 2.9Å; T801-K805 HydrophobicContact CG2-CD 3.95Å; T801-K805 HydrophobicContact CG2-CG 4.25Å; T801-K805 WeakPolarHBondContact O-CB 3.38Å; T801-K805 WeakPolarHBondContact O-CG 3.39Å; T801-K805 PolarHBondContact O-N 3.33Å
802	N	84.4	Confident	86.6	Confident	97 Å²	97	47.1 Å²	47.1	52%	0.519	25%	0.251	S	S	.	.	H	α-helix	trans	-64.9	-41.5	177.7	-69.8	-10.7	0	0	0	112.9	P690 L800 Q806	P690-N802 VanDerWaalsContact CG-OD1 3.31Å; P690-N802 WeakPolarHBondContact CG-OD1 3.25Å; L800-N802 PolarHBondContact O-N 3.44Å; L800-N802 VanDerWaalsContact O-N 3.07Å; N802-Q806 WeakPolarHBondContact O-CB 3.43Å; N802-Q806 VanDerWaalsContact O-CG 3.24Å; N802-Q806 WeakPolarHBondContact O-CG 3.39Å; N802-Q806 PolarHBondContact O-N 3.35Å
803	W	86.7	Confident	86.3	Confident	30 Å²	30	49.4 Å²	49.4	11%	0.114	26%	0.262	C	S	.	.	H	α-helix	trans	-67.9	-38.7	173.4	175.4	83.9	0	0	0	111.3	H653 L665 L667 L800 Q806 V807	H653-W803 HydrophobicContact CB-CH2 4.25Å; H653-W803 HydrophobicContact CB-CZ2 4.16Å; H653-W803 AromaticContact CD2-CD1 3.93Å; H653-W803 AromaticContact CD2-CD2 3.34Å; H653-W803 AromaticContact CD2-CE2 3.55Å; H653-W803 AromaticContact CD2-CE3 3.69Å; H653-W803 AromaticContact CD2-CG 3.61Å; H653-W803 AromaticContact CD2-NE1 3.89Å; H653-W803 AromaticContact NE2-CD1 3.9Å; H653-W803 AromaticContact NE2-CD2 3.96Å; H653-W803 AromaticContact NE2-CG 3.69Å; L665-W803 HydrophobicContact CD2-CE3 3.78Å; L665-W803 HydrophobicContact CD2-CZ3 3.61Å; L665-W803 HydrophobicContact CG-CZ3 3.89Å; L667-W803 HydrophobicContact CD1-CE3 4.19Å; L667-W803 HydrophobicContact CD1-CH2 4.03Å; L667-W803 HydrophobicContact CD1-CZ3 3.63Å; L667-W803 HydrophobicContact CG-CH2 3.99Å; L667-W803 HydrophobicContact CG-CZ3 3.71Å; L800-W803 PolarHBondContact O-N 2.9Å; W803-Q806 WeakPolarHBondContact O-CB 3.45Å; W803-Q806 PolarHBondContact O-N 3.03Å; W803-V807 HydrophobicContact CD2-CG2 4.03Å; W803-V807 HydrophobicContact CG-CG2 4.47Å; W803-V807 HydrophobicContact CH2-CG2 4.4Å; W803-V807 HydrophobicContact CZ2-CG2 3.76Å; W803-V807 WeakPolarHBondContact O-CG2 3.43Å; W803-V807 PolarHBondContact O-N 2.88Å
804	I	91.8	Very high	85.8	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-61.4	-49.3	176.7	-62.1	167.7	0	0	0	110.8	I603 L665 L667 L687 I797 L800 T801 Q806 V807 I808	I603-I804 HydrophobicContact CD1-CG2 3.72Å; L665-I804 HydrophobicContact CD2-CD1 3.81Å; L665-I804 HydrophobicContact CD2-CG1 3.82Å; L667-I804 HydrophobicContact CD1-CB 4.3Å; L667-I804 HydrophobicContact CD1-CG1 4.28Å; L667-I804 HydrophobicContact CD1-CG2 4.09Å; L667-I804 HydrophobicContact CD2-CG2 4.36Å; L687-I804 HydrophobicContact CD1-CD1 3.7Å; L687-I804 HydrophobicContact CD1-CG2 4.15Å; L687-I804 HydrophobicContact CD2-CB 4.17Å; L687-I804 HydrophobicContact CD2-CG2 3.62Å; I797-I804 HydrophobicContact CD1-CD1 4.16Å; I797-I804 HydrophobicContact CG2-CD1 4.08Å; L800-I804 WeakPolarHBondContact O-CG1 3.36Å; L800-I804 PolarHBondContact O-N 3.03Å; T801-I804 PolarHBondContact O-N 2.9Å; I804-Q806 VanDerWaalsContact C-N 3.32Å; I804-Q806 PolarHBondContact O-N 3.49Å; I804-V807 PolarHBondContact O-N 3.38Å; I804-I808 HydrophobicContact CG2-CD1 3.66Å; I804-I808 HydrophobicContact CG2-CG1 4.45Å; I804-I808 WeakPolarHBondContact O-CB 3.48Å; I804-I808 VanDerWaalsContact O-CG1 3.29Å; I804-I808 WeakPolarHBondContact O-CG1 3.41Å; I804-I808 PolarHBondContact O-N 3.32Å
805	K	89.5	Confident	85.2	Confident	96 Å²	96	55.1 Å²	55.1	42%	0.417	29%	0.293	S	S	.	.	H	α-helix	trans	-60.6	-40.4	176.5	-72.6	-178.7	177.4	-175.6	0	111	L687 T801 S809	L687-K805 HydrophobicContact CD2-CG 4.26Å; T801-K805 HydrophobicContact CG2-CD 3.95Å; T801-K805 HydrophobicContact CG2-CG 4.25Å; T801-K805 WeakPolarHBondContact O-CB 3.38Å; T801-K805 WeakPolarHBondContact O-CG 3.39Å; T801-K805 PolarHBondContact O-N 3.33Å; K805-S809 VanDerWaalsContact O-CB 3.32Å; K805-S809 WeakPolarHBondContact O-CB 3.32Å; K805-S809 PolarHBondContact O-N 3.49Å; K805-S809 PolarHBondContact O-OG 3.17Å
806	Q	87.5	Confident	84.6	Confident	123 Å²	123	58.4 Å²	58.4	58%	0.575	31%	0.31	S	S	*	.	H	α-helix	trans	-60.8	-52.5	174.5	-76.4	169.8	4.2	0	0	113	N802 W803 I804 I808 S809 S810	N802-Q806 WeakPolarHBondContact O-CB 3.43Å; N802-Q806 VanDerWaalsContact O-CG 3.24Å; N802-Q806 WeakPolarHBondContact O-CG 3.39Å; N802-Q806 PolarHBondContact O-N 3.35Å; W803-Q806 WeakPolarHBondContact O-CB 3.45Å; W803-Q806 PolarHBondContact O-N 3.03Å; I804-Q806 VanDerWaalsContact C-N 3.32Å; I804-Q806 PolarHBondContact O-N 3.49Å; Q806-I808 PolarHBondContact O-N 3.16Å; Q806-S809 PolarHBondContact O-N 3.12Å; Q806-S809 PolarHBondContact O-OG 3.26Å; Q806-S810 PolarHBondContact O-N 3.42Å
807	V	88.5	Confident	84	Confident	17 Å²	17	59.4 Å²	59.4	10%	0.103	32%	0.32	C	S	.	.	H	α-helix	trans	-63.2	-41.1	-178.9	172	0	0	0	0	111.8	W607 H651 L667 W803 I804 S809 S810	W607-V807 HydrophobicContact CH2-CG1 3.78Å; W607-V807 HydrophobicContact CZ3-CG1 3.8Å; H651-V807 HydrophobicContact CB-CG1 3.94Å; L667-V807 HydrophobicContact CB-CG1 4.39Å; L667-V807 HydrophobicContact CD1-CB 3.82Å; L667-V807 HydrophobicContact CD1-CG1 3.79Å; L667-V807 HydrophobicContact CD1-CG2 4.48Å; W803-V807 HydrophobicContact CD2-CG2 4.03Å; W803-V807 HydrophobicContact CG-CG2 4.47Å; W803-V807 HydrophobicContact CH2-CG2 4.4Å; W803-V807 HydrophobicContact CZ2-CG2 3.76Å; W803-V807 WeakPolarHBondContact O-CG2 3.43Å; W803-V807 PolarHBondContact O-N 2.88Å; I804-V807 PolarHBondContact O-N 3.38Å; V807-S809 VanDerWaalsContact C-N 3.31Å; V807-S809 PolarHBondContact O-N 3.13Å; V807-S810 WeakPolarHBondContact O-CB 3.48Å; V807-S810 PolarHBondContact O-N 3.16Å
808	I	90.1	Very high	83.2	Confident	56 Å²	56	63.6 Å²	63.6	29%	0.287	34%	0.343	S	S	.	.	H	α-helix	trans	-66.1	-33.4	177.1	-67.7	173.5	0	0	0	111.9	I603 W607 I804 Q806 S810	I603-I808 HydrophobicContact CD1-CD1 3.81Å; W607-I808 HydrophobicContact CB-CD1 4.48Å; W607-I808 HydrophobicContact CB-CG1 4.49Å; W607-I808 HydrophobicContact CD2-CG1 3.97Å; W607-I808 HydrophobicContact CE3-CG1 4.5Å; W607-I808 HydrophobicContact CG-CD1 4.44Å; W607-I808 HydrophobicContact CG-CG1 3.98Å; I804-I808 HydrophobicContact CG2-CD1 3.66Å; I804-I808 HydrophobicContact CG2-CG1 4.45Å; I804-I808 WeakPolarHBondContact O-CB 3.48Å; I804-I808 VanDerWaalsContact O-CG1 3.29Å; I804-I808 WeakPolarHBondContact O-CG1 3.41Å; I804-I808 PolarHBondContact O-N 3.32Å; Q806-I808 PolarHBondContact O-N 3.16Å; I808-S810 VanDerWaalsContact C-N 3.27Å; I808-S810 PolarHBondContact O-N 3.37Å
809	S	82.4	Confident	82.8	Confident	95 Å²	95	67.6 Å²	67.6	66%	0.664	36%	0.364	S	S	*	.	H	α-helix	trans	-75.4	-12.3	176.2	73.7	0	0	0	0	114.4	K805 Q806 V807	K805-S809 VanDerWaalsContact O-CB 3.32Å; K805-S809 WeakPolarHBondContact O-CB 3.32Å; K805-S809 PolarHBondContact O-N 3.49Å; K805-S809 PolarHBondContact O-OG 3.17Å; Q806-S809 PolarHBondContact O-N 3.12Å; Q806-S809 PolarHBondContact O-OG 3.26Å; V807-S809 VanDerWaalsContact C-N 3.31Å; V807-S809 PolarHBondContact O-N 3.13Å
810	S	70.6	Confident	82.6	Confident	67 Å²	67	62.6 Å²	62.6	47%	0.469	35%	0.354	S	S	.	.			trans	-80.4	128.6	179.3	-162.5	0	0	0	0	111	Q806 V807 I808	Q806-S810 PolarHBondContact O-N 3.42Å; V807-S810 WeakPolarHBondContact O-CB 3.48Å; V807-S810 PolarHBondContact O-N 3.16Å; I808-S810 VanDerWaalsContact C-N 3.27Å; I808-S810 PolarHBondContact O-N 3.37Å
811	P	45.8	Very low	82.3	Confident	164 Å²	164	67.7 Å²	67.7	100%	1.065	38%	0.383	S	S	*	.			trans	-62.6	0	-171.5	24	-33.8	0	0	0	114.7	K669	K669-P811 PolarHBondContact NZ-OXT 3.39Å

Retrieved 811 of 811 residues in 254.5 ms (Link to these results)

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