A0A077Z0B4_TRITR Loading...

PAN 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z0B4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 928 aa.

						>A0A077Z0B4_TRITR|A0A077Z0B4
MVRCSGVAPVAGLLLLLLSLQYGAHAYGAEKAPSSYGQNSVQSGYASTSNVFVQQVPTYTGGQPPQTIPAATSCYVDMKCFSCSPGFSIAQGYPFERRTPVTCEECLDLCLEKQSNPYPYCCRSVVYDFAYRTCDLFAVDGKSPPQVVTKYSTRSYFVPTGQCTKKTTVQEPDGQQTEGMCSEGELPKIVEVPGYEDPGVSSGSALSGHSMKECAEACVSNKDKDGNALSLGQPCAAVVYQSGECRVSSKKVDRVSSLRSNPDSTYMMIECFPEKLVTECPNNFVYAPKHVLVGFAKAVVTASSERECIEQCLASNEALGFYCKSGMYYYEDNTENCILNTESRSTQPNVYTEEATSVVYFELGCGRTGRRLAKKFRKSFSQALFDLPLTGLWTAWSKCTSSTESSVRYRTCRDKDVRNCPKETRSCSRVQIHFQCVIISECSIVASSTLPTKPSAGRFPDDDLRKRKKDQPHVRRHGAYGGGSMAGASGSAYGGGSMAGISDSTYAGASTDGGMQSGYGGGTSDTGYGQVQVPVYGQPAPSTQPGIQYPVLVPQQPMCPFDPQCFKASPECTISNAYPFERRTPVTCNECLDLCLEKQFGEYPYICKSAVYDSSSKSCDIFAVDGLNSPQHYLKYPGRSIYRPTGVCQPHTTTAGLPEEVPNTCPEGLQPKVAEIAGYGIHSRGQTLPDHNAQECSLACLTGQDKSGNGLDLRGKPCRTASYSTNNGCQVDSSEVAFNALNSDPDVTTFKVLCLPEEIVADCPNNLYFAPHHVLVGFAKQVGTAQDETECIMLCAQAYESTGFNCASAMYYYSEKSENCILNTEDRRSQPEVYSEDDSQVVYFELRCAKRRMKFSKSRFMKDSPVDDDWTEWSNCKSPDDQQVRYRQCDKKDIRDCPSQRRKCKIVASGENWLWAKSWMKLCRYCFS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.1	Very low	39.3	Very low	247 Å²	247	138.1 Å²	138.1	100%	1.217	85%	0.849	S	S	*	*				0	126.5	0	-51.2	170.7	-164.8	0	0	104.8
2	V	39	Very low	39.4	Very low	139 Å²	139	132.5 Å²	132.5	84%	0.842	84%	0.839	S	S	*	*			cis	-104.2	164.9	17	175.8	0	0	0	0	112.2
3	R	30.4	Very low	39.5	Very low	231 Å²	231	134.8 Å²	134.8	87%	0.872	84%	0.84	S	S	*	*			trans	-124.1	140.3	165.7	-83.8	-176.6	173.3	173.7	-3	109
4	C	39.4	Very low	39.5	Very low	125 Å²	125	134.9 Å²	134.9	85%	0.845	83%	0.831	S	S	*	*			trans	-130.7	147.3	154.3	-75	0	0	0	0	108.3
5	S	36.9	Very low	39.6	Very low	114 Å²	114	135 Å²	135	80%	0.797	82%	0.823	S	S	*	*			trans	-157.8	142	-173.5	-57.3	0	0	0	0	112.6
6	G	41.3	Very low	39.5	Very low	66 Å²	66	135.5 Å²	135.5	68%	0.68	82%	0.819	S	S	*	*			trans	175.1	120.2	178.5	0	0	0	0	0	105.9
7	V	40.9	Very low	39.5	Very low	143 Å²	143	135.8 Å²	135.8	87%	0.867	81%	0.814	S	S	*	*			cis	62.7	126.8	24	-132.8	0	0	0	0	111.7
8	A	41.2	Very low	39.5	Very low	91 Å²	91	136.6 Å²	136.6	75%	0.752	81%	0.812	S	S	*	*			cis	-145.8	168.9	17	0	0	0	0	0	114.9
9	P	49.5	Very low	39.4	Very low	120 Å²	120	133.8 Å²	133.8	78%	0.779	80%	0.8	S	S	*	*			trans	-119.5	176.3	179.7	43.2	-32.8	0	0	0	115.7
10	V	40.5	Very low	39.3	Very low	145 Å²	145	134.4 Å²	134.4	88%	0.879	80%	0.798	S	S	*	*			trans	-158.8	159.9	169.1	-82.2	0	0	0	0	110.4
11	A	38.8	Very low	39.4	Very low	98 Å²	98	134.9 Å²	134.9	81%	0.81	79%	0.792	S	S	*	*			cis	-171.1	152.5	-26.9	0	0	0	0	0	111.3
12	G	40.2	Very low	39.6	Very low	71 Å²	71	133.4 Å²	133.4	73%	0.732	78%	0.775	S	S	*	*			trans	95.3	150.6	167.1	0	0	0	0	0	117
13	L	40.9	Very low	39.5	Very low	162 Å²	162	130.7 Å²	130.7	85%	0.848	78%	0.775	S	S	*	*			cis	-158.3	147.3	-2.8	-146.1	93.1	0	0	0	112.6
14	L	39.3	Very low	39.6	Very low	137 Å²	137	123.7 Å²	123.7	72%	0.717	77%	0.766	S	S	*	*			trans	16.8	132.9	164.1	-83.9	67.1	0	0	0	121.8
15	L	41.1	Very low	39.5	Very low	136 Å²	136	126.5 Å²	126.5	71%	0.712	77%	0.767	S	S	*	*				64.6	142	66	-67.7	168	0	0	0	114.8	L17	L15-L17 HydrophobicContact CD2-CD1 4.29Å
16	L	39.2	Very low	39.5	Very low	143 Å²	143	124.7 Å²	124.7	75%	0.749	76%	0.759	S	S	*	*			cis	-122.7	175.8	12.6	-79.2	89.4	0	0	0	112
17	L	38	Very low	39.2	Very low	141 Å²	141	132.6 Å²	132.6	74%	0.738	77%	0.77	S	S	*	*			cis	99.4	148.4	18.2	-99.6	172.7	0	0	0	118.2	L15	L15-L17 HydrophobicContact CD2-CD1 4.29Å
18	L	39.6	Very low	39	Very low	149 Å²	149	129.5 Å²	129.5	78%	0.78	77%	0.766	S	S	*	*			trans	78.7	155.4	-179.6	-56.3	171.3	0	0	0	118.4
19	S	38.4	Very low	38.6	Very low	84 Å²	84	129.8 Å²	129.8	59%	0.587	77%	0.769	S	S	*	*				177.5	163.9	-52.5	53.6	0	0	0	0	110.8
20	L	37.9	Very low	37.9	Very low	145 Å²	145	131.6 Å²	131.6	76%	0.759	77%	0.767	S	S	*	*			trans	72.4	155.8	168.8	-58.5	161.4	0	0	0	116.3
21	Q	40.9	Very low	37.8	Very low	145 Å²	145	133.1 Å²	133.1	68%	0.678	76%	0.762	S	S	*	*			cis	-165.7	153.1	-38.1	-128.6	-179.6	7	0	0	109.8
22	Y	37.2	Very low	37.5	Very low	217 Å²	217	132.6 Å²	132.6	85%	0.851	76%	0.757	S	S	*	*			trans	47.6	135.1	161.9	-67.6	-71.2	0	0	0	122.7
23	G	37.1	Very low	37.5	Very low	81 Å²	81	135 Å²	135	84%	0.835	76%	0.76	S	S	*	*			trans	173.4	137.3	163.8	0	0	0	0	0	112.4
24	A	34	Very low	37.3	Very low	84 Å²	84	132.3 Å²	132.3	69%	0.694	76%	0.755	S	S	*	*			trans	-145.6	174.6	-177.3	0	0	0	0	0	112.1
25	H	37.7	Very low	37	Very low	184 Å²	184	130.7 Å²	130.7	85%	0.852	76%	0.755	S	S	*	*			trans	74.1	153.6	-177.9	-52.9	-81.4	0	0	0	114.5
26	A	36.3	Very low	36.8	Very low	77 Å²	77	135.3 Å²	135.3	64%	0.636	76%	0.764	S	S	*	*			cis	-160.8	156.3	-6.2	0	0	0	0	0	113.6
27	Y	34.4	Very low	36.6	Very low	232 Å²	232	131.8 Å²	131.8	91%	0.91	76%	0.763	S	S	*	*			trans	34.8	139.2	147.9	-66.3	-71.8	0	0	0	124.9
28	G	36.9	Very low	36.5	Very low	77 Å²	77	133.7 Å²	133.7	79%	0.794	77%	0.768	S	S	*	*			trans	-165.7	130.3	150.7	0	0	0	0	0	110.5
29	A	33.1	Very low	36.2	Very low	97 Å²	97	133.1 Å²	133.1	80%	0.802	77%	0.765	S	S	*	*			trans	-163.1	145.8	-172.2	0	0	0	0	0	114.4
30	E	35.6	Very low	35.9	Very low	159 Å²	159	134.1 Å²	134.1	74%	0.743	77%	0.772	S	S	*	*			trans	-168	151.5	167	-95.2	-175.3	115.6	0	0	107.8
31	K	37.3	Very low	35.6	Very low	177 Å²	177	133.7 Å²	133.7	77%	0.77	78%	0.776	S	S	*	*			cis	-162.1	159.1	-10	-127.8	169.6	-164.4	160.6	0	110.8
32	A	33.2	Very low	35	Very low	87 Å²	87	136.2 Å²	136.2	72%	0.719	79%	0.787	S	S	*	*			trans	-140.9	-176.4	169.3	0	0	0	0	0	109.3
33	P	39.7	Very low	34.7	Very low	121 Å²	121	130.8 Å²	130.8	79%	0.786	78%	0.781	S	S	*	*				-127.9	-129.8	51	27.6	-1.7	0	0	0	111.7
34	S	37.2	Very low	34.5	Very low	106 Å²	106	130.8 Å²	130.8	74%	0.741	78%	0.782	S	S	*	*			cis	-176.7	165.7	2.1	27.3	0	0	0	0	108.7
35	S	32.9	Very low	34.1	Very low	102 Å²	102	137.4 Å²	137.4	71%	0.713	79%	0.79	S	S	*	*			cis	-174	177.2	-22.5	-168	0	0	0	0	109.4
36	Y	35.6	Very low	33.8	Very low	234 Å²	234	133.6 Å²	133.6	92%	0.918	79%	0.79	S	S	*	*			trans	67.3	138.6	-179.8	-62.7	-87.3	0	0	0	117.3
37	G	35.5	Very low	33.4	Very low	69 Å²	69	135.8 Å²	135.8	71%	0.711	80%	0.801	S	S	*	*			cis	177.3	134.2	-11.8	0	0	0	0	0	114.7
38	Q	35.5	Very low	33.3	Very low	180 Å²	180	130.4 Å²	130.4	84%	0.841	79%	0.792	S	S	*	*			trans	30.5	132.7	153.1	-66.7	174.1	-39.2	0	0	120.8
39	N	33.6	Very low	33	Very low	137 Å²	137	132.5 Å²	132.5	73%	0.733	80%	0.795	S	S	*	*				-160.4	165.7	53.4	-88.2	-62.7	0	0	0	114.2
40	S	32.6	Very low	32.7	Very low	105 Å²	105	135 Å²	135	73%	0.734	80%	0.795	S	S	*	*			trans	19.4	134.7	155.5	61	0	0	0	0	120.5
41	V	32	Very low	32.3	Very low	137 Å²	137	133.3 Å²	133.3	83%	0.83	80%	0.795	S	S	*	*			cis	-132.4	165.8	35.8	173.1	0	0	0	0	111.8	S43	V41-S43 PolarHBondContact O-N 3.06Å
42	Q	28.6	Very low	31.8	Very low	197 Å²	197	133.8 Å²	133.8	92%	0.921	80%	0.798	S	S	*	*			trans	-60.1	118.6	-168.5	-66.6	166.7	-51.5	0	0	114.9
43	S	30.9	Very low	31.6	Very low	103 Å²	103	133.9 Å²	133.9	72%	0.72	79%	0.789	S	S	*	*			trans	-135.7	126.2	156.4	-177.2	0	0	0	0	108.6	V41	V41-S43 PolarHBondContact O-N 3.06Å
44	G	31.3	Very low	31	Very low	82 Å²	82	135 Å²	135	85%	0.845	78%	0.784	S	S	*	*			trans	-104.9	102.9	-166.1	0	0	0	0	0	113.7
45	Y	27.1	Very low	30.6	Very low	223 Å²	223	137.9 Å²	137.9	88%	0.875	79%	0.785	S	S	*	*			trans	-84	139	169.3	-73.8	-100.3	0	0	0	111.5
46	A	30.1	Very low	30.4	Very low	103 Å²	103	138.7 Å²	138.7	85%	0.851	79%	0.786	S	S	*	*			trans	-141.4	128.6	161.7	0	0	0	0	0	109.2
47	S	28.6	Very low	30	Very low	123 Å²	123	132.3 Å²	132.3	86%	0.86	77%	0.773	S	S	*	*			trans	-99.8	126.9	-168.4	-175.9	0	0	0	0	113.1
48	T	31.7	Very low	29.7	Very low	119 Å²	119	135 Å²	135	73%	0.73	78%	0.775	S	S	*	*			trans	-143.2	156.6	155.2	49.4	0	0	0	0	110.2	N50	T48-N50 PolarHBondContact O-N 2.84Å; T48-N50 VanDerWaalsContact O-N 3.1Å
49	S	30.2	Very low	29.3	Very low	121 Å²	121	134.3 Å²	134.3	85%	0.846	77%	0.767	S	S	*	*			trans	-63.9	101.7	-168	-48.5	0	0	0	0	114.9	V51	S49-V51 PolarHBondContact O-N 2.93Å
50	N	27.3	Very low	29.2	Very low	151 Å²	151	133.6 Å²	133.6	81%	0.807	77%	0.767	S	S	*	*			trans	-84.7	91	178.1	-76.7	-32.9	0	0	0	112.8	T48 F52	T48-N50 PolarHBondContact O-N 2.84Å; T48-N50 VanDerWaalsContact O-N 3.1Å; N50-F52 PolarHBondContact O-N 2.8Å
51	V	27.9	Very low	29	Very low	123 Å²	123	133 Å²	133	75%	0.745	78%	0.777	S	S	*	*			trans	-82.7	103.2	161.3	179.3	0	0	0	0	108.2	S49 V53	S49-V51 PolarHBondContact O-N 2.93Å; V51-V53 VanDerWaalsContact C-N 3.28Å; V51-V53 HydrophobicContact CG1-CG2 4.16Å; V51-V53 PolarHBondContact O-N 2.86Å
52	F	26.2	Very low	28.8	Very low	187 Å²	187	129.5 Å²	129.5	82%	0.82	77%	0.769	S	S	*	*			trans	-77.9	78.5	-178.2	-144.7	-85.6	0	0	0	111.3	N50 Q54	N50-F52 PolarHBondContact O-N 2.8Å; F52-Q54 PolarHBondContact O-N 2.73Å; F52-Q54 VanDerWaalsContact O-N 3.17Å
53	V	28.8	Very low	28.9	Very low	89 Å²	89	128 Å²	128	54%	0.539	76%	0.762	S	S	.	*			trans	-60	115.1	171.9	178.4	0	0	0	0	108.4	V51 Q55	V51-V53 VanDerWaalsContact C-N 3.28Å; V51-V53 HydrophobicContact CG1-CG2 4.16Å; V51-V53 PolarHBondContact O-N 2.86Å; V53-Q55 VanDerWaalsContact C-N 3.26Å; V53-Q55 HydrophobicContact CG1-CG 4.12Å; V53-Q55 PolarHBondContact O-N 2.81Å
54	Q	28.3	Very low	28.9	Very low	144 Å²	144	127.9 Å²	127.9	67%	0.673	76%	0.759	S	S	*	*			trans	-75.3	85.1	175.4	-157.1	168.8	9.4	0	0	108.4	F52 V56	F52-Q54 PolarHBondContact O-N 2.73Å; F52-Q54 VanDerWaalsContact O-N 3.17Å; Q54-V56 PolarHBondContact O-N 3.12Å; Q54-V56 VanDerWaalsContact O-N 3.08Å
55	Q	28.5	Very low	28.8	Very low	167 Å²	167	127.3 Å²	127.3	78%	0.78	74%	0.74	S	S	*	*			trans	-63.8	108.3	-176.2	-70.8	-178.7	-17.8	0	0	110.4	V53 P57	V53-Q55 VanDerWaalsContact C-N 3.26Å; V53-Q55 HydrophobicContact CG1-CG 4.12Å; V53-Q55 PolarHBondContact O-N 2.81Å; Q55-P57 WeakPolarHBondContact O-CD 3.34Å
56	V	28.3	Very low	28.9	Very low	119 Å²	119	125 Å²	125	72%	0.721	74%	0.737	S	S	*	*			trans	-57.7	125.8	162.1	179.2	0	0	0	0	107.5	Q54 T58	Q54-V56 PolarHBondContact O-N 3.12Å; Q54-V56 VanDerWaalsContact O-N 3.08Å; V56-T58 PolarHBondContact O-N 3.34Å
57	P	28	Very low	28.8	Very low	99 Å²	99	126 Å²	126	64%	0.643	73%	0.733	S	S	*	*			trans	-59.7	100	-178.8	-27.5	36.6	0	0	0	112	Q55 Y59	Q55-P57 WeakPolarHBondContact O-CD 3.34Å; P57-Y59 VanDerWaalsContact C-N 3.34Å; P57-Y59 HydrophobicContact CB-CD2 4.2Å; P57-Y59 HydrophobicContact CB-CE2 4.07Å; P57-Y59 PolarHBondContact O-N 2.91Å
58	T	28.1	Very low	28.8	Very low	125 Å²	125	126.8 Å²	126.8	77%	0.767	73%	0.726	S	S	*	*			trans	-76.7	89.2	174.1	28	0	0	0	0	108.3	V56 T60	V56-T58 PolarHBondContact O-N 3.34Å; T58-T60 PolarHBondContact O-N 3.38Å
59	Y	27	Very low	28.7	Very low	167 Å²	167	126.7 Å²	126.7	66%	0.655	73%	0.728	S	S	*	*			trans	-65.9	80.1	171.7	-87.8	-85.7	0	0	0	111.1	P57 P65	P57-Y59 VanDerWaalsContact C-N 3.34Å; P57-Y59 HydrophobicContact CB-CD2 4.2Å; P57-Y59 HydrophobicContact CB-CE2 4.07Å; P57-Y59 PolarHBondContact O-N 2.91Å; Y59-P65 WeakPolarHBondContact OH-CD 3.34Å; Y59-P65 WeakPolarHBondContact OH-CG 3.24Å
60	T	32	Very low	28.5	Very low	122 Å²	122	125.2 Å²	125.2	75%	0.748	72%	0.723	S	S	*	*			trans	-60.5	137.9	152.1	46.5	0	0	0	0	108.7	T58 G62	T58-T60 PolarHBondContact O-N 3.38Å; T60-G62 PolarHBondContact O-N 3.11Å
61	G	27.7	Very low	28.7	Very low	92 Å²	92	121.3 Å²	121.3	95%	0.948	71%	0.712	S	S	*	*	S	Bend	trans	-64.8	117.7	-171	0	0	0	0	0	113.2
62	G	28.5	Very low	29.7	Very low	64 Å²	64	118.6 Å²	118.6	66%	0.66	70%	0.696	S	S	*	*	S	Bend	trans	167.1	87.7	176.5	0	0	0	0	0	113.4	T60	T60-G62 PolarHBondContact O-N 3.11Å
63	Q	30.9	Very low	31.1	Very low	166 Å²	166	114 Å²	114	78%	0.776	69%	0.686	S	S	*	*			trans	65.2	139.7	174	-57.3	173.6	-100.4	0	0	116.7
64	P	31.1	Very low	32.8	Very low	99 Å²	99	110.3 Å²	110.3	64%	0.643	66%	0.664	S	S	*	*			trans	-77.8	152.3	169.8	32.9	-34.3	0	0	0	111.4	Q66	P64-Q66 PolarHBondContact O-N 3.2Å
65	P	28.7	Very low	34.2	Very low	70 Å²	70	110.5 Å²	110.5	46%	0.455	66%	0.66	S	S	.	*			trans	-67.5	125	-179	28.2	-35.6	0	0	0	111.8	Y59 T67	Y59-P65 WeakPolarHBondContact OH-CD 3.34Å; Y59-P65 WeakPolarHBondContact OH-CG 3.24Å; P65-T67 VanDerWaalsContact C-N 3.27Å; P65-T67 PolarHBondContact O-N 3.2Å; P65-T67 VanDerWaalsContact O-N 3.11Å
66	Q	29.6	Very low	35.8	Very low	175 Å²	175	104.2 Å²	104.2	82%	0.818	63%	0.633	S	S	*	*	S	Bend	trans	-85.7	43.2	-176	-65.7	-168.2	-8	0	0	114.4	P64	P64-Q66 PolarHBondContact O-N 3.2Å
67	T	28.4	Very low	37.5	Very low	125 Å²	125	101.9 Å²	101.9	77%	0.767	62%	0.616	S	S	*	*			trans	-156.4	103.6	164.4	44.7	0	0	0	0	110.1	P65	P65-T67 VanDerWaalsContact C-N 3.27Å; P65-T67 PolarHBondContact O-N 3.2Å; P65-T67 VanDerWaalsContact O-N 3.11Å
68	I	27.9	Very low	39.5	Very low	139 Å²	139	104.7 Å²	104.7	71%	0.713	62%	0.623	S	S	*	*			trans	-127.4	112.1	166.5	-60.3	178.3	0	0	0	106.6
69	P	29	Very low	41.7	Very low	116 Å²	116	105.3 Å²	105.3	75%	0.753	62%	0.615	S	S	*	*			trans	-60	146.9	171.4	-23.7	35.2	0	0	0	111.6	A71	P69-A71 PolarHBondContact O-N 3.35Å; P69-A71 VanDerWaalsContact O-N 3.14Å
70	A	27.1	Very low	44.2	Very low	91 Å²	91	98.1 Å²	98.1	75%	0.752	59%	0.589	S	S	*	*			trans	-73.4	106.9	-163.3	0	0	0	0	0	114.2
71	A	31	Very low	46.7	Very low	69 Å²	69	92.5 Å²	92.5	57%	0.57	55%	0.554	S	S	*	*			trans	-118.9	60	162.2	0	0	0	0	0	109.4	P69	P69-A71 PolarHBondContact O-N 3.35Å; P69-A71 VanDerWaalsContact O-N 3.14Å
72	T	47.8	Very low	49.4	Very low	66 Å²	66	91.4 Å²	91.4	41%	0.405	53%	0.532	S	S	.	.			trans	-117.5	7.8	-159.6	47	0	0	0	0	115.6	S155	T72-S155 PolarHBondContact O-OG 3.46Å
73	S	56.8	Low	52	Low	89 Å²	89	90.3 Å²	90.3	62%	0.622	51%	0.513	S	S	*	.			trans	-136.2	135.3	-177.9	53	0	0	0	0	112.1
74	C	63.9	Low	54.5	Low	12 Å²	12	84.1 Å²	84.1	8%	0.081	49%	0.489	C	S	.	.			trans	-77	165.2	164.8	-35.2	0	0	0	0	109.5	V76 C103 E104 F129 F157	C74-V76 VanDerWaalsContact C-N 3.31Å; C74-V76 HydrophobicContact CB-CG2 3.79Å; C74-V76 PolarHBondContact O-N 2.89Å; C74-C103 HydrophobicContact CB-CB 3.49Å; C74-C103 VanDerWaalsContact CB-CB 3.49Å; C74-C103 WeakPolarHBondContact CB-SG 3.5Å; C74-C103 WeakPolarHBondContact SG-CB 3.44Å; C74-C103 CovalentContact SG-SG 2.01Å; C74-C103 PolarHBondContact SG-SG 3.03Å; C74-E104 WeakPolarHBondContact CA-OE1 3.42Å; C74-E104 VanDerWaalsContact CB-OE1 3.32Å; C74-E104 WeakPolarHBondContact CB-OE1 3.23Å; C74-F129 WeakPolarHBondContact SG-CZ 3.17Å; C74-F157 VanDerWaalsContact SG-CZ 3.55Å
75	Y	58.2	Low	56.8	Low	149 Å²	149	82.6 Å²	82.6	58%	0.584	48%	0.479	S	S	*	.			trans	-76.1	86.4	169.2	-84.2	-94.7	0	0	0	109.7	E104	Y75-E104 PolarHBondContact N-OE1 3.49Å
76	V	62.6	Low	59.2	Low	34 Å²	34	80.1 Å²	80.1	21%	0.206	47%	0.466	C	S	.	.			trans	-102.5	124.8	-176.5	-174.5	0	0	0	0	110.5	C74 M78 F81 L107 F157	C74-V76 VanDerWaalsContact C-N 3.31Å; C74-V76 HydrophobicContact CB-CG2 3.79Å; C74-V76 PolarHBondContact O-N 2.89Å; V76-M78 PolarHBondContact O-N 2.79Å; V76-M78 VanDerWaalsContact O-N 3.14Å; V76-F81 HydrophobicContact CG1-CB 3.69Å; V76-F81 HydrophobicContact CG1-CD2 4.48Å; V76-F81 HydrophobicContact CG1-CG 4.48Å; V76-L107 HydrophobicContact CB-CD1 4.36Å; V76-L107 HydrophobicContact CG1-CD1 4.21Å; V76-L107 HydrophobicContact CG2-CD1 3.49Å; V76-L107 VanDerWaalsContact CG2-CD1 3.49Å; V76-F157 HydrophobicContact CG2-CD1 4.21Å; V76-F157 HydrophobicContact CG2-CE1 3.72Å
77	D	63.3	Low	61.7	Low	70 Å²	70	75.4 Å²	75.4	37%	0.374	44%	0.443	S	S	.	.			trans	-69.2	109.4	161.6	-167.4	-27.9	0	0	0	108.8	K79 C80 F81	D77-K79 PolarHBondContact O-N 3.45Å; D77-K79 WeakPolarHBondContact OD1-CB 3.35Å; D77-K79 VanDerWaalsContact OD1-CG 3.32Å; D77-K79 WeakPolarHBondContact OD1-CG 3.43Å; D77-K79 PolarHBondContact OD1-N 3.1Å; D77-C80 HydrophobicContact CB-CB 4.32Å; D77-C80 WeakPolarHBondContact O-CA 3.42Å; D77-C80 WeakPolarHBondContact O-CB 3.49Å; D77-C80 PolarHBondContact O-N 3.15Å; D77-F81 PolarHBondContact O-N 2.95Å; D77-F81 VanDerWaalsContact O-N 3.08Å
78	M	69.6	Low	64.5	Low	158 Å²	158	69.7 Å²	69.7	78%	0.778	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-16.2	179.4	-71.5	-172.5	65.6	0	0	113.5	V76 C80	V76-M78 PolarHBondContact O-N 2.79Å; V76-M78 VanDerWaalsContact O-N 3.14Å; M78-C80 VanDerWaalsContact C-N 3.3Å
79	K	74.6	Confident	67.2	Low	138 Å²	138	63.6 Å²	63.6	60%	0.6	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-35.4	167.4	-59.3	170.9	-177.5	174.2	0	110.5	D77 T160 Q162	D77-K79 PolarHBondContact O-N 3.45Å; D77-K79 WeakPolarHBondContact OD1-CB 3.35Å; D77-K79 VanDerWaalsContact OD1-CG 3.32Å; D77-K79 WeakPolarHBondContact OD1-CG 3.43Å; D77-K79 PolarHBondContact OD1-N 3.1Å; K79-T160 WeakPolarHBondContact O-CB 3.37Å; K79-T160 WeakPolarHBondContact O-CG2 3.48Å; K79-T160 PolarHBondContact O-OG1 3.09Å; K79-Q162 WeakPolarHBondContact O-CB 3.49Å; K79-Q162 PolarHBondContact O-OE1 2.76Å
80	C	78.8	Confident	69.6	Low	17 Å²	17	59.6 Å²	59.6	12%	0.115	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-35.6	-176.4	-56.5	0	0	0	0	114.1	D77 M78 P159 T160 C163	D77-C80 HydrophobicContact CB-CB 4.32Å; D77-C80 WeakPolarHBondContact O-CA 3.42Å; D77-C80 WeakPolarHBondContact O-CB 3.49Å; D77-C80 PolarHBondContact O-N 3.15Å; M78-C80 VanDerWaalsContact C-N 3.3Å; C80-P159 WeakPolarHBondContact O-CA 3.4Å; C80-T160 PolarHBondContact O-N 2.86Å; C80-T160 PolarHBondContact O-OG1 2.83Å; C80-C163 WeakPolarHBondContact CA-SG 3.29Å; C80-C163 HydrophobicContact CB-CB 3.58Å; C80-C163 WeakPolarHBondContact CB-SG 3.35Å; C80-C163 WeakPolarHBondContact SG-CB 3.01Å; C80-C163 CovalentContact SG-SG 2.03Å; C80-C163 PolarHBondContact SG-SG 2.93Å
81	F	86.1	Confident	72	Confident	4 Å²	4	60.8 Å²	60.8	2%	0.018	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	133.8	-179.5	-69.8	-94.2	0	0	0	113.1	V76 D77 L107 C110 L111 V125 F157 V158 P159	V76-F81 HydrophobicContact CG1-CB 3.69Å; V76-F81 HydrophobicContact CG1-CD2 4.48Å; V76-F81 HydrophobicContact CG1-CG 4.48Å; D77-F81 PolarHBondContact O-N 2.95Å; D77-F81 VanDerWaalsContact O-N 3.08Å; F81-L107 HydrophobicContact CD1-CD2 3.76Å; F81-L107 HydrophobicContact CD2-CB 4.28Å; F81-L107 HydrophobicContact CD2-CD2 4.14Å; F81-L107 HydrophobicContact CE1-CD2 3.75Å; F81-L107 HydrophobicContact CE2-CB 3.76Å; F81-L107 HydrophobicContact CE2-CD2 4.13Å; F81-L107 HydrophobicContact CE2-CG 4.45Å; F81-L107 HydrophobicContact CG-CD2 3.97Å; F81-L107 HydrophobicContact CZ-CB 3.95Å; F81-L107 HydrophobicContact CZ-CD2 3.95Å; F81-L107 WeakPolarHBondContact CZ-O 3.36Å; F81-C110 HydrophobicContact CE1-CB 4.19Å; F81-C110 HydrophobicContact CZ-CB 4.05Å; F81-L111 HydrophobicContact CE2-CD1 4.06Å; F81-L111 HydrophobicContact CE2-CD2 3.86Å; F81-L111 HydrophobicContact CE2-CG 3.76Å; F81-L111 HydrophobicContact CZ-CD2 4.01Å; F81-L111 HydrophobicContact CZ-CG 3.89Å; F81-V125 HydrophobicContact CE1-CG2 4.36Å; F81-F157 HydrophobicContact CB-CB 4.45Å; F81-F157 HydrophobicContact CD1-CB 3.98Å; F81-V158 CarbonylContact C-O 3.5Å; F81-V158 VanDerWaalsContact CA-O 3.31Å; F81-V158 WeakPolarHBondContact CA-O 3.49Å; F81-P159 HydrophobicContact CD1-CB 4.03Å; F81-P159 HydrophobicContact CE1-CB 3.73Å; F81-P159 HydrophobicContact CE1-CG 4.29Å; F81-P159 HydrophobicContact CZ-CB 4.28Å
82	S	83.1	Confident	73.9	Confident	68 Å²	68	58.2 Å²	58.2	48%	0.476	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	135.2	158.7	-173.9	0	0	0	0	109.1	F157 V158	S82-F157 CarbonylContact O-C 3.48Å; S82-F157 WeakPolarHBondContact O-CA 3.43Å; S82-V158 PolarHBondContact N-O 3.24Å; S82-V158 PolarHBondContact O-N 3.36Å
83	C	84	Confident	75.4	Confident	41 Å²	41	59.1 Å²	59.1	28%	0.277	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	141.1	-178.6	179.1	0	0	0	0	110.7	F157	C83-F157 HydrophobicContact CB-CD1 3.76Å; C83-F157 HydrophobicContact CB-CE1 3.93Å; C83-F157 WeakPolarHBondContact SG-CE1 2.99Å
84	S	82.7	Confident	76.8	Confident	37 Å²	37	55.9 Å²	55.9	26%	0.259	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	97.7	165.3	-46.1	0	0	0	0	109.3	Y156	S84-Y156 PolarHBondContact N-O 3.21Å; S84-Y156 PolarHBondContact O-N 2.84Å; S84-Y156 VanDerWaalsContact O-N 3.12Å
85	P	79.4	Confident	77.9	Confident	67 Å²	67	58 Å²	58	44%	0.435	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	141.4	177.9	-20.1	32.7	0	0	0	112.7	F87 S155	P85-F87 VanDerWaalsContact O-CD2 3.24Å; P85-F87 WeakPolarHBondContact O-CD2 3.3Å; P85-S155 WeakPolarHBondContact CA-OG 3.33Å
86	G	78.6	Confident	79.3	Confident	17 Å²	17	52.7 Å²	52.7	18%	0.175	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	76.5	23.7	-176.8	0	0	0	0	0	114.2	K150 Y151 R154	G86-K150 CarbonylContact O-C 3.59Å; G86-K150 WeakPolarHBondContact O-CA 3.46Å; G86-K150 WeakPolarHBondContact O-CG 3.48Å; G86-Y151 CarbonylContact C-O 2.99Å; G86-Y151 WeakPolarHBondContact CA-O 3.5Å; G86-Y151 PolarHBondContact O-N 3.19Å; G86-R154 CarbonylContact C-O 3.49Å; G86-R154 WeakPolarHBondContact CA-O 3.37Å; G86-R154 PolarHBondContact N-O 3.48Å
87	F	83.7	Confident	80.4	Confident	77 Å²	77	54.2 Å²	54.2	34%	0.338	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	155.8	-179.3	-69.7	-88	0	0	0	113.2	P85 V148 T149 K150 R154 S155 Y156	P85-F87 VanDerWaalsContact O-CD2 3.24Å; P85-F87 WeakPolarHBondContact O-CD2 3.3Å; F87-V148 HydrophobicContact CB-CG1 3.76Å; F87-V148 HydrophobicContact CD1-CG1 3.77Å; F87-V148 HydrophobicContact CG-CG1 4.06Å; F87-T149 CarbonylContact C-O 3.5Å; F87-T149 VanDerWaalsContact CA-O 3.26Å; F87-T149 WeakPolarHBondContact CA-O 3.37Å; F87-T149 WeakPolarHBondContact CD1-O 3.24Å; F87-K150 HydrophobicContact CE1-CB 4.45Å; F87-R154 PolarHBondContact N-O 3.29Å; F87-R154 WeakPolarHBondContact O-CB 3.45Å; F87-S155 CarbonylContact O-C 3.6Å; F87-Y156 PolarHBondContact O-N 2.69Å
88	S	86.8	Confident	81.3	Confident	4 Å²	4	55.9 Å²	55.9	3%	0.028	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	151.4	179.6	-178.8	0	0	0	0	109.3	T149 R154	S88-T149 PolarHBondContact N-O 2.56Å; S88-T149 PolarHBondContact O-N 2.85Å; S88-T149 VanDerWaalsContact O-O 3.14Å; S88-R154 PolarHBondContact OG-NH1 2.89Å
89	I	83.9	Confident	81.9	Confident	12 Å²	12	51.8 Å²	51.8	6%	0.062	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	132	168.4	-70.5	170	0	0	0	109.5	S124 F137 V139 Q146 V148 Y156	I89-S124 WeakPolarHBondContact CD1-OG 3.35Å; I89-F137 HydrophobicContact CB-CD1 4.39Å; I89-F137 HydrophobicContact CB-CE1 4.05Å; I89-F137 HydrophobicContact CB-CZ 4.2Å; I89-F137 HydrophobicContact CD1-CB 4.06Å; I89-F137 HydrophobicContact CD1-CD1 3.98Å; I89-F137 HydrophobicContact CD1-CD2 4.06Å; I89-F137 HydrophobicContact CD1-CE1 4.44Å; I89-F137 HydrophobicContact CD1-CG 3.78Å; I89-F137 HydrophobicContact CG2-CD1 4.28Å; I89-F137 HydrophobicContact CG2-CE1 4.06Å; I89-V139 HydrophobicContact CD1-CG2 4.45Å; I89-Q146 HydrophobicContact CG2-CB 4.21Å; I89-V148 HydrophobicContact CG1-CG2 4.29Å; I89-Y156 HydrophobicContact CD1-CD2 4.26Å; I89-Y156 HydrophobicContact CD1-CE2 4.02Å; I89-Y156 HydrophobicContact CG1-CD2 4.05Å; I89-Y156 HydrophobicContact CG1-CE2 4.04Å
90	A	79.9	Confident	81.8	Confident	31 Å²	31	50.5 Å²	50.5	26%	0.256	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	152.7	164.1	0	0	0	0	0	110.4	G92 Q146 V147 T149	A90-G92 PolarHBondContact O-N 2.99Å; A90-Q146 WeakPolarHBondContact O-CA 3.17Å; A90-V147 HydrophobicContact CB-CG2 4.32Å; A90-V147 PolarHBondContact N-O 2.94Å; A90-V147 PolarHBondContact O-N 2.88Å; A90-V147 VanDerWaalsContact O-N 3.16Å; A90-T149 HydrophobicContact CB-CG2 3.75Å
91	Q	76.5	Confident	81.8	Confident	116 Å²	116	50.5 Å²	50.5	54%	0.542	28%	0.277	S	S	.	.	S	Bend	trans	60.2	-8	-178.3	-45.6	-170.5	25.1	0	0	115.8	P145	Q91-P145 HydrophobicContact CB-CB 4.42Å; Q91-P145 WeakPolarHBondContact CB-O 3.39Å; Q91-P145 PolarHBondContact OE1-O 3.33Å
92	G	72.7	Confident	81.7	Confident	15 Å²	15	52.8 Å²	52.8	16%	0.155	29%	0.292	C	S	.	.			trans	-85.8	154.9	163.8	0	0	0	0	0	111.6	A90	A90-G92 PolarHBondContact O-N 2.99Å
93	Y	77.6	Confident	81.8	Confident	86 Å²	86	49.7 Å²	49.7	34%	0.337	27%	0.27	S	S	.	.			trans	-119.8	140.7	169.2	-65.6	-85.4	0	0	0	108.9	F137 R582 R639	Y93-F137 VanDerWaalsContact C-CD1 3.49Å; Y93-F137 VanDerWaalsContact C-CE1 3.45Å; Y93-F137 WeakPolarHBondContact O-CD1 3.38Å; Y93-R582 VanDerWaalsContact CG-NH2 3.32Å; Y93-R639 PolarHBondContact OH-NH1 2.87Å
94	P	87.7	Confident	81.8	Confident	20 Å²	20	50.8 Å²	50.8	13%	0.13	27%	0.271	C	S	.	.			trans	-69	147.2	171.1	28.7	-32.4	0	0	0	110.6	D135 L136 F137	P94-D135 HydrophobicContact CB-CB 3.89Å; P94-D135 HydrophobicContact CG-CB 3.97Å; P94-L136 CarbonylContact C-O 3.51Å; P94-L136 WeakPolarHBondContact CA-O 3.46Å; P94-L136 WeakPolarHBondContact CB-O 3.31Å; P94-F137 HydrophobicContact CB-CD1 4.48Å; P94-F137 HydrophobicContact CB-CD2 4.44Å; P94-F137 HydrophobicContact CB-CE1 4.3Å; P94-F137 HydrophobicContact CB-CE2 4.25Å; P94-F137 HydrophobicContact CB-CZ 4.18Å; P94-F137 HydrophobicContact CG-CZ 4.34Å
95	F	86.8	Confident	81.9	Confident	56 Å²	56	51.7 Å²	51.7	25%	0.246	27%	0.271	C	S	.	.	S	Bend	trans	-84.1	-22.5	171.2	68.2	-93.9	0	0	0	111.9	K113 Y120 C122 L136 A138	F95-K113 HydrophobicContact CE2-CD 4.39Å; F95-Y120 HydrophobicContact CB-CD2 3.79Å; F95-Y120 HydrophobicContact CB-CE2 4.48Å; F95-Y120 HydrophobicContact CB-CG 3.89Å; F95-Y120 HydrophobicContact CD2-CD2 4.45Å; F95-Y120 HydrophobicContact CD2-CG 4.5Å; F95-Y120 HydrophobicContact CG-CD2 4.28Å; F95-Y120 HydrophobicContact CG-CG 4.12Å; F95-C122 HydrophobicContact CE1-CB 4.49Å; F95-C122 HydrophobicContact CZ-CB 4.22Å; F95-L136 HydrophobicContact CD1-CB 4.37Å; F95-L136 WeakPolarHBondContact CD1-O 3.39Å; F95-L136 HydrophobicContact CE1-CB 3.73Å; F95-L136 WeakPolarHBondContact CE1-O 3Å; F95-L136 HydrophobicContact CE2-CB 4.29Å; F95-L136 HydrophobicContact CE2-CD1 4.44Å; F95-L136 HydrophobicContact CZ-CB 3.68Å; F95-L136 HydrophobicContact CZ-CD1 4.13Å; F95-L136 PolarHBondContact N-O 2.81Å; F95-A138 HydrophobicContact CD1-CB 4Å; F95-A138 HydrophobicContact CE1-CB 4.5Å
96	E	86.1	Confident	82.4	Confident	39 Å²	39	48.5 Å²	48.5	18%	0.182	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	134.1	174.6	-174.6	169	155.4	0	0	109.7	R98 K113 L136	E96-R98 IonicContact OE1-CZ 2.82Å; E96-R98 IonicContact OE1-NE 2.77Å; E96-R98 PolarHBondContact OE1-NE 3.02Å; E96-R98 IonicContact OE1-NH2 3.99Å; E96-R98 PolarHBondContact OE1-NH2 3.36Å; E96-K113 IonicContact OE1-NZ 2.8Å; E96-K113 WeakPolarHBondContact OE2-CD 3.37Å; E96-K113 WeakPolarHBondContact OE2-CE 3.09Å; E96-K113 IonicContact OE2-NZ 2.84Å; E96-K113 PolarHBondContact OE2-NZ 2.95Å; E96-L136 HydrophobicContact CB-CB 4.41Å; E96-L136 HydrophobicContact CB-CD1 4.34Å; E96-L136 PolarHBondContact O-N 2.83Å
97	R	87.2	Confident	82.9	Confident	65 Å²	65	48.1 Å²	48.1	25%	0.245	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	142.4	170.8	171	172.3	-68.9	111.3	7	110	T133 C134 D135 Y578	R97-T133 HydrophobicContact CG-CG2 3.9Å; R97-C134 CarbonylContact C-O 3.59Å; R97-C134 WeakPolarHBondContact CA-O 3.36Å; R97-D135 IonicContact CZ-OD1 3.16Å; R97-D135 IonicContact CZ-OD2 3.19Å; R97-D135 IonicContact NE-OD1 2.93Å; R97-D135 PolarHBondContact NE-OD1 3.4Å; R97-D135 IonicContact NE-OD2 3.69Å; R97-D135 IonicContact NH2-OD1 2.85Å; R97-D135 PolarHBondContact NH2-OD1 2.8Å; R97-D135 IonicContact NH2-OD2 2.76Å; R97-D135 PolarHBondContact NH2-OD2 3.34Å; R97-Y578 VanDerWaalsContact CZ-CG 3.47Å; R97-Y578 VanDerWaalsContact NH2-CD1 3.26Å
98	R	82.5	Confident	83.1	Confident	105 Å²	105	47.1 Å²	47.1	40%	0.396	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	140.3	167.3	-62	-167.7	-175.3	-172.2	1	111.5	E96 V101 L109 T133 C134	E96-R98 IonicContact OE1-CZ 2.82Å; E96-R98 IonicContact OE1-NE 2.77Å; E96-R98 PolarHBondContact OE1-NE 3.02Å; E96-R98 IonicContact OE1-NH2 3.99Å; E96-R98 PolarHBondContact OE1-NH2 3.36Å; R98-V101 HydrophobicContact CB-CB 4.24Å; R98-V101 HydrophobicContact CB-CG1 3.92Å; R98-L109 HydrophobicContact CG-CD2 4.31Å; R98-L109 VanDerWaalsContact CZ-CD2 3.44Å; R98-T133 WeakPolarHBondContact O-CA 3.11Å; R98-C134 HydrophobicContact CB-CB 4.36Å; R98-C134 PolarHBondContact N-O 3.38Å; R98-C134 PolarHBondContact O-N 2.84Å
99	T	82.3	Confident	83.2	Confident	72 Å²	72	47.3 Å²	47.3	44%	0.442	24%	0.243	S	C	.	.	S	Bend	trans	-160.8	139.2	175.2	178.4	0	0	0	0	109.6	Y131 T133	T99-Y131 PolarHBondContact OG1-O 3.12Å; T99-T133 WeakPolarHBondContact CB-OG1 3.47Å; T99-T133 PolarHBondContact OG1-OG1 3.15Å
100	P	71.7	Confident	83.5	Confident	111 Å²	111	46.8 Å²	46.8	72%	0.721	24%	0.24	S	C	*	.	S	Bend	cis	-70.1	146.8	-17.3	33	-34.5	0	0	0	110.5	R132	P100-R132 HydrophobicContact CB-CB 4.29Å
101	V	79.2	Confident	83.9	Confident	18 Å²	18	46.5 Å²	46.5	11%	0.109	24%	0.235	C	C	.	.			trans	-152.9	152.9	173.5	64.8	0	0	0	0	108.9	R98 E105 Y127 R132 C134	R98-V101 HydrophobicContact CB-CB 4.24Å; R98-V101 HydrophobicContact CB-CG1 3.92Å; V101-E105 HydrophobicContact CG2-CB 3.57Å; V101-E105 HydrophobicContact CG2-CG 4.47Å; V101-Y127 HydrophobicContact CG1-CE2 4.49Å; V101-Y127 WeakPolarHBondContact O-CE2 3.48Å; V101-Y127 PolarHBondContact O-OH 3.15Å; V101-Y127 VanDerWaalsContact O-OH 3.04Å; V101-R132 PolarHBondContact N-O 2.82Å; V101-C134 HydrophobicContact CG1-CB 3.39Å
102	T	83.2	Confident	84.3	Confident	52 Å²	52	43.1 Å²	43.1	32%	0.319	22%	0.219	S	C	.	.			trans	-72.9	162.8	171.9	61.8	0	0	0	0	111.3	E104 E105 C106	T102-E104 VanDerWaalsContact C-N 3.33Å; T102-E105 WeakPolarHBondContact CB-OE2 3.28Å; T102-E105 PolarHBondContact N-OE2 2.88Å; T102-E105 VanDerWaalsContact OG1-CB 3.26Å; T102-E105 WeakPolarHBondContact OG1-CB 3.5Å; T102-E105 VanDerWaalsContact OG1-CD 3.29Å; T102-E105 WeakPolarHBondContact OG1-CG 3.34Å; T102-E105 PolarHBondContact OG1-N 2.81Å; T102-E105 VanDerWaalsContact OG1-N 3.15Å; T102-E105 PolarHBondContact OG1-OE2 2.79Å; T102-C106 WeakPolarHBondContact O-CB 3.48Å; T102-C106 PolarHBondContact O-N 3.09Å
103	C	84.9	Confident	84.9	Confident	3 Å²	3	42.9 Å²	42.9	2%	0.02	21%	0.213	C	C	.	.	H	α-helix	trans	-72.9	-34.7	176.7	-176.3	0	0	0	0	111.2	C74 C106 L107 Y127	C74-C103 HydrophobicContact CB-CB 3.49Å; C74-C103 VanDerWaalsContact CB-CB 3.49Å; C74-C103 WeakPolarHBondContact CB-SG 3.5Å; C74-C103 WeakPolarHBondContact SG-CB 3.44Å; C74-C103 CovalentContact SG-SG 2.01Å; C74-C103 PolarHBondContact SG-SG 3.03Å; C103-C106 VanDerWaalsContact O-CB 3.28Å; C103-C106 WeakPolarHBondContact O-CB 3.32Å; C103-C106 PolarHBondContact O-N 2.88Å; C103-C106 VanDerWaalsContact O-N 3.13Å; C103-L107 WeakPolarHBondContact O-CG 3.47Å; C103-L107 PolarHBondContact O-N 2.83Å; C103-Y127 HydrophobicContact CB-CD1 3.69Å; C103-Y127 HydrophobicContact CB-CD2 3.95Å; C103-Y127 HydrophobicContact CB-CE1 3.67Å; C103-Y127 HydrophobicContact CB-CE2 3.93Å; C103-Y127 HydrophobicContact CB-CG 3.82Å
104	E	84.6	Confident	85	Confident	64 Å²	64	41.2 Å²	41.2	30%	0.299	21%	0.209	S	C	.	.	H	α-helix	trans	-58.4	-53.5	174.9	-65.9	64.3	-148.4	0	0	109.2	C74 Y75 T102 C106 L107 D108	C74-E104 WeakPolarHBondContact CA-OE1 3.42Å; C74-E104 VanDerWaalsContact CB-OE1 3.32Å; C74-E104 WeakPolarHBondContact CB-OE1 3.23Å; Y75-E104 PolarHBondContact N-OE1 3.49Å; T102-E104 VanDerWaalsContact C-N 3.33Å; E104-C106 VanDerWaalsContact C-N 3.28Å; E104-C106 PolarHBondContact O-N 2.81Å; E104-L107 PolarHBondContact O-N 3.18Å; E104-D108 WeakPolarHBondContact O-CB 3.22Å; E104-D108 PolarHBondContact O-N 2.84Å
105	E	84.8	Confident	84.1	Confident	56 Å²	56	43.8 Å²	43.8	26%	0.262	23%	0.227	S	C	.	.	H	α-helix	trans	-59.7	-34	172.4	-75	169.9	121.8	0	0	113.6	V101 T102 L109 T368	V101-E105 HydrophobicContact CG2-CB 3.57Å; V101-E105 HydrophobicContact CG2-CG 4.47Å; T102-E105 WeakPolarHBondContact CB-OE2 3.28Å; T102-E105 PolarHBondContact N-OE2 2.88Å; T102-E105 VanDerWaalsContact OG1-CB 3.26Å; T102-E105 WeakPolarHBondContact OG1-CB 3.5Å; T102-E105 VanDerWaalsContact OG1-CD 3.29Å; T102-E105 WeakPolarHBondContact OG1-CG 3.34Å; T102-E105 PolarHBondContact OG1-N 2.81Å; T102-E105 VanDerWaalsContact OG1-N 3.15Å; T102-E105 PolarHBondContact OG1-OE2 2.79Å; E105-L109 WeakPolarHBondContact O-CB 3.45Å; E105-L109 PolarHBondContact O-N 3.18Å; E105-T368 HydrophobicContact CG-CG2 4.11Å
106	C	89.7	Confident	82.4	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-65.9	-43.7	178.2	-179.4	0	0	0	0	112.3	T102 C103 E104 C110 V125 Y127 C134	T102-C106 WeakPolarHBondContact O-CB 3.48Å; T102-C106 PolarHBondContact O-N 3.09Å; C103-C106 VanDerWaalsContact O-CB 3.28Å; C103-C106 WeakPolarHBondContact O-CB 3.32Å; C103-C106 PolarHBondContact O-N 2.88Å; C103-C106 VanDerWaalsContact O-N 3.13Å; E104-C106 VanDerWaalsContact C-N 3.28Å; E104-C106 PolarHBondContact O-N 2.81Å; C106-C110 PolarHBondContact O-N 2.84Å; C106-C110 VanDerWaalsContact O-N 3.14Å; C106-V125 WeakPolarHBondContact SG-CG1 3.26Å; C106-Y127 HydrophobicContact CB-CD2 4.1Å; C106-C134 WeakPolarHBondContact CA-SG 3.14Å; C106-C134 HydrophobicContact CB-CB 3.56Å; C106-C134 WeakPolarHBondContact CB-SG 3.44Å; C106-C134 VanDerWaalsContact SG-CA 3.52Å; C106-C134 WeakPolarHBondContact SG-CB 3.42Å; C106-C134 CovalentContact SG-SG 2.02Å; C106-C134 PolarHBondContact SG-SG 2.89Å
107	L	90	Very high	81.1	Confident	8 Å²	8	51.2 Å²	51.2	4%	0.042	28%	0.276	C	S	.	.	H	α-helix	trans	-69.4	-42.1	175.2	-65.7	171.4	0	0	0	111	V76 F81 C103 E104 L109 C110 L111 V125 F157	V76-L107 HydrophobicContact CB-CD1 4.36Å; V76-L107 HydrophobicContact CG1-CD1 4.21Å; V76-L107 HydrophobicContact CG2-CD1 3.49Å; V76-L107 VanDerWaalsContact CG2-CD1 3.49Å; F81-L107 HydrophobicContact CD1-CD2 3.76Å; F81-L107 HydrophobicContact CD2-CB 4.28Å; F81-L107 HydrophobicContact CD2-CD2 4.14Å; F81-L107 HydrophobicContact CE1-CD2 3.75Å; F81-L107 HydrophobicContact CE2-CB 3.76Å; F81-L107 HydrophobicContact CE2-CD2 4.13Å; F81-L107 HydrophobicContact CE2-CG 4.45Å; F81-L107 HydrophobicContact CG-CD2 3.97Å; F81-L107 HydrophobicContact CZ-CB 3.95Å; F81-L107 HydrophobicContact CZ-CD2 3.95Å; F81-L107 WeakPolarHBondContact CZ-O 3.36Å; C103-L107 WeakPolarHBondContact O-CG 3.47Å; C103-L107 PolarHBondContact O-N 2.83Å; E104-L107 PolarHBondContact O-N 3.18Å; L107-L109 VanDerWaalsContact C-N 3.26Å; L107-L109 PolarHBondContact O-N 3.12Å; L107-C110 CarbonylContact O-C 3.5Å; L107-C110 WeakPolarHBondContact O-CA 3.16Å; L107-C110 WeakPolarHBondContact O-CB 3.4Å; L107-C110 PolarHBondContact O-N 3.09Å; L107-L111 PolarHBondContact O-N 3.18Å; L107-V125 HydrophobicContact CD2-CB 4.36Å; L107-V125 HydrophobicContact CD2-CG1 4.39Å; L107-V125 HydrophobicContact CD2-CG2 4.25Å; L107-F157 HydrophobicContact CD1-CD1 4.46Å; L107-F157 HydrophobicContact CD1-CE1 4.48Å; L107-F157 HydrophobicContact CD2-CB 3.71Å; L107-F157 HydrophobicContact CD2-CD1 4.08Å; L107-F157 HydrophobicContact CD2-CD2 3.9Å; L107-F157 HydrophobicContact CD2-CG 3.64Å
108	D	87.8	Confident	79.7	Confident	56 Å²	56	52.5 Å²	52.5	30%	0.299	28%	0.282	S	S	.	.	H	α-helix	trans	-65.2	-30.2	179	-156.2	22.7	0	0	0	112.2	E104 E112 K165	E104-D108 WeakPolarHBondContact O-CB 3.22Å; E104-D108 PolarHBondContact O-N 2.84Å; D108-E112 PolarHBondContact O-N 2.85Å; D108-E112 VanDerWaalsContact O-N 3.1Å; D108-K165 WeakPolarHBondContact OD1-CD 3.43Å; D108-K165 IonicContact OD1-NZ 2.7Å; D108-K165 PolarHBondContact OD1-NZ 2.89Å; D108-K165 IonicContact OD2-NZ 2.65Å; D108-K165 PolarHBondContact OD2-NZ 2.97Å
109	L	87.6	Confident	78.9	Confident	9 Å²	9	53 Å²	53	5%	0.047	30%	0.299	C	S	.	.	H	α-helix	trans	-72.3	-35.5	169	-178.8	67.8	0	0	0	112.9	R98 E105 L107 L111 E112 K113 L136	R98-L109 HydrophobicContact CG-CD2 4.31Å; R98-L109 VanDerWaalsContact CZ-CD2 3.44Å; E105-L109 WeakPolarHBondContact O-CB 3.45Å; E105-L109 PolarHBondContact O-N 3.18Å; L107-L109 VanDerWaalsContact C-N 3.26Å; L107-L109 PolarHBondContact O-N 3.12Å; L109-L111 VanDerWaalsContact C-N 3.33Å; L109-E112 PolarHBondContact O-N 3.14Å; L109-K113 HydrophobicContact CD1-CD 3.93Å; L109-K113 HydrophobicContact CG-CD 4.08Å; L109-K113 WeakPolarHBondContact O-CB 3.43Å; L109-K113 PolarHBondContact O-N 3.37Å; L109-L136 HydrophobicContact CD2-CD1 3.76Å; L109-L136 HydrophobicContact CG-CD1 3.86Å
110	C	90.1	Very high	78.6	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-67.6	-33.1	172.2	-175.5	0	0	0	0	112.1	F81 C106 L107 K113 Q114 C122 V125 L136	F81-C110 HydrophobicContact CE1-CB 4.19Å; F81-C110 HydrophobicContact CZ-CB 4.05Å; C106-C110 PolarHBondContact O-N 2.84Å; C106-C110 VanDerWaalsContact O-N 3.14Å; L107-C110 CarbonylContact O-C 3.5Å; L107-C110 WeakPolarHBondContact O-CA 3.16Å; L107-C110 WeakPolarHBondContact O-CB 3.4Å; L107-C110 PolarHBondContact O-N 3.09Å; C110-K113 PolarHBondContact O-N 2.87Å; C110-Q114 WeakPolarHBondContact O-CG 3.27Å; C110-Q114 PolarHBondContact O-N 3.36Å; C110-Q114 PolarHBondContact O-NE2 2.95Å; C110-C122 HydrophobicContact CB-CB 3.94Å; C110-C122 WeakPolarHBondContact CB-SG 3.31Å; C110-C122 WeakPolarHBondContact SG-CB 3.03Å; C110-C122 CovalentContact SG-SG 2.04Å; C110-C122 PolarHBondContact SG-SG 2.8Å; C110-V125 HydrophobicContact CB-CG2 3.52Å; C110-V125 WeakPolarHBondContact SG-CG2 3.49Å; C110-L136 HydrophobicContact CB-CD2 4.03Å
111	L	88.2	Confident	79.2	Confident	26 Å²	26	51.9 Å²	51.9	14%	0.136	28%	0.279	C	S	.	.	H	α-helix	trans	-66.1	-41.7	170	-66.5	172.5	0	0	0	111.6	F81 L107 L109 K113 Q114 C163 K165	F81-L111 HydrophobicContact CE2-CD1 4.06Å; F81-L111 HydrophobicContact CE2-CD2 3.86Å; F81-L111 HydrophobicContact CE2-CG 3.76Å; F81-L111 HydrophobicContact CZ-CD2 4.01Å; F81-L111 HydrophobicContact CZ-CG 3.89Å; L107-L111 PolarHBondContact O-N 3.18Å; L109-L111 VanDerWaalsContact C-N 3.33Å; L111-K113 VanDerWaalsContact C-N 3.28Å; L111-K113 PolarHBondContact O-N 2.79Å; L111-Q114 PolarHBondContact O-N 2.86Å; L111-C163 HydrophobicContact CD2-CB 4.05Å; L111-C163 WeakPolarHBondContact CD2-O 3.5Å; L111-K165 HydrophobicContact CB-CB 4.09Å
112	E	84.9	Confident	79.7	Confident	44 Å²	44	51 Å²	51	21%	0.206	27%	0.274	C	S	.	.	H	α-helix	trans	-63.8	-32	174.8	-171.6	171.9	124.8	0	0	112.9	D108 L109 S115 K165 R370	D108-E112 PolarHBondContact O-N 2.85Å; D108-E112 VanDerWaalsContact O-N 3.1Å; L109-E112 PolarHBondContact O-N 3.14Å; E112-S115 PolarHBondContact O-OG 2.95Å; E112-K165 HydrophobicContact CB-CD 4.35Å; E112-R370 VanDerWaalsContact CD-NH2 3.29Å; E112-R370 IonicContact OE1-CZ 2.77Å; E112-R370 IonicContact OE1-NH1 3.19Å; E112-R370 IonicContact OE1-NH2 3.47Å; E112-R370 PolarHBondContact OE1-NH2 2.84Å; E112-R370 IonicContact OE2-CZ 3Å; E112-R370 VanDerWaalsContact OE2-CZ 3.32Å; E112-R370 IonicContact OE2-NH1 2.69Å; E112-R370 PolarHBondContact OE2-NH1 3.31Å; E112-R370 IonicContact OE2-NH2 2.81Å; E112-R370 PolarHBondContact OE2-NH2 3.38Å
113	K	85.4	Confident	80	Confident	10 Å²	10	56 Å²	56	4%	0.043	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	18.1	-177.4	-72.3	166.6	177.4	-86.2	0	114.4	F95 E96 L109 C110 L111 Y118 C121 C122 L136	F95-K113 HydrophobicContact CE2-CD 4.39Å; E96-K113 IonicContact OE1-NZ 2.8Å; E96-K113 WeakPolarHBondContact OE2-CD 3.37Å; E96-K113 WeakPolarHBondContact OE2-CE 3.09Å; E96-K113 IonicContact OE2-NZ 2.84Å; E96-K113 PolarHBondContact OE2-NZ 2.95Å; L109-K113 HydrophobicContact CD1-CD 3.93Å; L109-K113 HydrophobicContact CG-CD 4.08Å; L109-K113 WeakPolarHBondContact O-CB 3.43Å; L109-K113 PolarHBondContact O-N 3.37Å; C110-K113 PolarHBondContact O-N 2.87Å; L111-K113 VanDerWaalsContact C-N 3.28Å; L111-K113 PolarHBondContact O-N 2.79Å; K113-Y118 HydrophobicContact CG-CD2 4.05Å; K113-Y118 HydrophobicContact CG-CE2 3.98Å; K113-Y118 VanDerWaalsContact NZ-CE1 3.35Å; K113-C121 CarbonylContact O-C 3.46Å; K113-C121 VanDerWaalsContact O-CA 3.3Å; K113-C121 WeakPolarHBondContact O-CA 3.14Å; K113-C122 HydrophobicContact CB-CB 4.27Å; K113-C122 PolarHBondContact O-N 3.21Å; K113-L136 HydrophobicContact CD-CD1 3.97Å
114	Q	81.4	Confident	80.3	Confident	52 Å²	52	55.9 Å²	55.9	24%	0.243	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-21.3	167.6	-90.9	164.2	79.5	0	0	113.2	C110 L111 C122 P159	C110-Q114 WeakPolarHBondContact O-CG 3.27Å; C110-Q114 PolarHBondContact O-N 3.36Å; C110-Q114 PolarHBondContact O-NE2 2.95Å; L111-Q114 PolarHBondContact O-N 2.86Å; Q114-C122 WeakPolarHBondContact CG-O 3.21Å; Q114-P159 HydrophobicContact CG-CG 4.46Å
115	S	67	Low	80.6	Confident	74 Å²	74	52.8 Å²	52.8	52%	0.517	27%	0.272	S	S	.	.	S	Bend	trans	-87.9	149.7	178.1	58.5	0	0	0	0	112.5	E112 P117	E112-S115 PolarHBondContact O-OG 2.95Å; S115-P117 WeakPolarHBondContact O-CD 3.48Å
116	N	52.5	Low	81	Confident	144 Å²	144	50.2 Å²	50.2	77%	0.77	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	102.5	-176.9	-172.7	9.2	0	0	0	110.4
117	P	58.8	Low	81	Confident	106 Å²	106	50.9 Å²	50.9	69%	0.688	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn		-136.3	8.9	111.5	40.3	-32	0	0	0	113.8	S115	S115-P117 WeakPolarHBondContact O-CD 3.48Å
118	Y	56.8	Low	80.8	Confident	93 Å²	93	50.7 Å²	50.7	37%	0.365	26%	0.261	S	S	.	.	S	Bend	trans	-85.6	145.7	178.6	-71.8	-77.9	0	0	0	111.7	K113 Y120	K113-Y118 HydrophobicContact CG-CD2 4.05Å; K113-Y118 HydrophobicContact CG-CE2 3.98Å; K113-Y118 VanDerWaalsContact NZ-CE1 3.35Å; Y118-Y120 PolarHBondContact O-N 3.28Å; Y118-Y120 VanDerWaalsContact O-N 3.12Å
119	P	66.2	Low	80.4	Confident	115 Å²	115	51 Å²	51	75%	0.747	26%	0.26	S	S	*	.	S	Bend	trans	-66.3	-13.1	177.8	28.1	-36	0	0	0	113.7
120	Y	75.6	Confident	79.8	Confident	117 Å²	117	53.6 Å²	53.6	46%	0.459	28%	0.283	S	S	.	.	S	Bend	trans	-135.8	121.7	174.7	-58.3	-69.3	0	0	0	109.3	F95 Y118 A138	F95-Y120 HydrophobicContact CB-CD2 3.79Å; F95-Y120 HydrophobicContact CB-CE2 4.48Å; F95-Y120 HydrophobicContact CB-CG 3.89Å; F95-Y120 HydrophobicContact CD2-CD2 4.45Å; F95-Y120 HydrophobicContact CD2-CG 4.5Å; F95-Y120 HydrophobicContact CG-CD2 4.28Å; F95-Y120 HydrophobicContact CG-CG 4.12Å; Y118-Y120 PolarHBondContact O-N 3.28Å; Y118-Y120 VanDerWaalsContact O-N 3.12Å; Y120-A138 HydrophobicContact CD1-CB 4.08Å; Y120-A138 HydrophobicContact CG-CB 4.49Å
121	C	83.8	Confident	79.1	Confident	42 Å²	42	61.1 Å²	61.1	28%	0.284	31%	0.312	S	S	.	.			trans	-84.5	141.9	170.1	-55.5	0	0	0	0	110.2	K113 R123	K113-C121 CarbonylContact O-C 3.46Å; K113-C121 VanDerWaalsContact O-CA 3.3Å; K113-C121 WeakPolarHBondContact O-CA 3.14Å; C121-R123 PolarHBondContact O-N 2.79Å
122	C	89.8	Confident	78.8	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.007	32%	0.319	C	S	.	.			trans	-65.9	122.7	172.2	-168.9	0	0	0	0	111	F95 C110 K113 Q114	F95-C122 HydrophobicContact CE1-CB 4.49Å; F95-C122 HydrophobicContact CZ-CB 4.22Å; C110-C122 HydrophobicContact CB-CB 3.94Å; C110-C122 WeakPolarHBondContact CB-SG 3.31Å; C110-C122 WeakPolarHBondContact SG-CB 3.03Å; C110-C122 CovalentContact SG-SG 2.04Å; C110-C122 PolarHBondContact SG-SG 2.8Å; K113-C122 HydrophobicContact CB-CB 4.27Å; K113-C122 PolarHBondContact O-N 3.21Å; Q114-C122 WeakPolarHBondContact CG-O 3.21Å
123	R	89.4	Confident	78.7	Confident	156 Å²	156	61.9 Å²	61.9	59%	0.589	31%	0.313	S	S	*	.			trans	-116.8	-22.8	176.4	-66.1	-61	-168.3	159.7	1.4	113.1	C121 F137 A138 P159	C121-R123 PolarHBondContact O-N 2.79Å; R123-F137 PolarHBondContact N-O 2.86Å; R123-A138 VanDerWaalsContact CG-O 3.3Å; R123-A138 WeakPolarHBondContact CG-O 3.37Å; R123-P159 WeakPolarHBondContact O-CD 3.35Å
124	S	91.5	Very high	79	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	168.8	166.3	63.2	0	0	0	0	111.2	I89 F137 V139 F157	I89-S124 WeakPolarHBondContact CD1-OG 3.35Å; S124-F137 PolarHBondContact N-O 3.21Å; S124-F137 PolarHBondContact O-N 2.88Å; S124-V139 PolarHBondContact N-O 2.88Å; S124-V139 PolarHBondContact OG-O 2.95Å; S124-F157 CarbonylContact C-O 3.52Å; S124-F157 WeakPolarHBondContact CA-O 3.45Å; S124-F157 VanDerWaalsContact CB-O 3.28Å; S124-F157 WeakPolarHBondContact CB-O 3.41Å
125	V	91.9	Very high	79.5	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	143.2	-178.1	-177.5	0	0	0	0	108.5	F81 C106 L107 C110 D135 L136 Y156 F157	F81-V125 HydrophobicContact CE1-CG2 4.36Å; C106-V125 WeakPolarHBondContact SG-CG1 3.26Å; L107-V125 HydrophobicContact CD2-CB 4.36Å; L107-V125 HydrophobicContact CD2-CG1 4.39Å; L107-V125 HydrophobicContact CD2-CG2 4.25Å; C110-V125 HydrophobicContact CB-CG2 3.52Å; C110-V125 WeakPolarHBondContact SG-CG2 3.49Å; V125-D135 CarbonylContact C-O 3.59Å; V125-D135 WeakPolarHBondContact CA-O 3.45Å; V125-L136 HydrophobicContact CB-CD2 4.44Å; V125-L136 HydrophobicContact CG1-CD2 4.15Å; V125-L136 HydrophobicContact CG2-CD2 3.78Å; V125-Y156 CarbonylContact O-C 3.48Å; V125-Y156 VanDerWaalsContact O-CA 3.3Å; V125-Y156 WeakPolarHBondContact O-CA 3.41Å; V125-F157 HydrophobicContact CB-CB 4.22Å; V125-F157 HydrophobicContact CB-CD2 4.23Å; V125-F157 HydrophobicContact CG1-CD2 4.26Å; V125-F157 PolarHBondContact N-O 3Å; V125-F157 PolarHBondContact O-N 2.76Å
126	V	91.9	Very high	80.7	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.006	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	127.6	159.6	-177.7	0	0	0	0	108.1	D135 F137 R154 S155 Y156	V126-D135 HydrophobicContact CB-CB 4.28Å; V126-D135 PolarHBondContact N-O 3Å; V126-D135 WeakPolarHBondContact O-CB 3.4Å; V126-D135 PolarHBondContact O-N 3.14Å; V126-F137 HydrophobicContact CB-CE2 3.87Å; V126-F137 HydrophobicContact CG2-CD2 4.2Å; V126-F137 HydrophobicContact CG2-CE2 3.52Å; V126-F137 HydrophobicContact CG2-CZ 4.17Å; V126-R154 HydrophobicContact CG1-CB 3.98Å; V126-R154 HydrophobicContact CG1-CG 4.13Å; V126-S155 WeakPolarHBondContact CA-O 3.42Å; V126-Y156 HydrophobicContact CG2-CD2 4.31Å
127	Y	89.6	Confident	82.5	Confident	14 Å²	14	49 Å²	49	6%	0.055	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	127.2	174.4	-175	-98.2	0	0	0	110	V101 C103 C106 F129 T133 C134 R154 S155	V101-Y127 HydrophobicContact CG1-CE2 4.49Å; V101-Y127 WeakPolarHBondContact O-CE2 3.48Å; V101-Y127 PolarHBondContact O-OH 3.15Å; V101-Y127 VanDerWaalsContact O-OH 3.04Å; C103-Y127 HydrophobicContact CB-CD1 3.69Å; C103-Y127 HydrophobicContact CB-CD2 3.95Å; C103-Y127 HydrophobicContact CB-CE1 3.67Å; C103-Y127 HydrophobicContact CB-CE2 3.93Å; C103-Y127 HydrophobicContact CB-CG 3.82Å; C106-Y127 HydrophobicContact CB-CD2 4.1Å; Y127-F129 AromaticContact CD1-CD1 3.96Å; Y127-F129 HydrophobicContact CD1-CD1 3.96Å; Y127-F129 AromaticContact CD1-CD2 4Å; Y127-F129 HydrophobicContact CD1-CD2 4Å; Y127-F129 AromaticContact CD1-CE1 3.98Å; Y127-F129 HydrophobicContact CD1-CE1 3.98Å; Y127-F129 HydrophobicContact CD1-CE2 4.02Å; Y127-F129 AromaticContact CD1-CG 3.97Å; Y127-F129 HydrophobicContact CD1-CG 3.97Å; Y127-F129 HydrophobicContact CD1-CZ 4.02Å; Y127-F129 HydrophobicContact CE1-CB 4.45Å; Y127-F129 AromaticContact CE1-CD1 3.7Å; Y127-F129 HydrophobicContact CE1-CD1 3.7Å; Y127-F129 HydrophobicContact CE1-CD2 4.44Å; Y127-F129 AromaticContact CE1-CE1 3.99Å; Y127-F129 HydrophobicContact CE1-CE1 3.99Å; Y127-F129 AromaticContact CE1-CG 3.94Å; Y127-F129 HydrophobicContact CE1-CG 3.94Å; Y127-F129 HydrophobicContact CE1-CZ 4.5Å; Y127-T133 WeakPolarHBondContact CA-O 3.09Å; Y127-C134 HydrophobicContact CD2-CB 4.45Å; Y127-R154 VanDerWaalsContact O-CA 3.23Å; Y127-R154 WeakPolarHBondContact O-CA 3.3Å; Y127-S155 PolarHBondContact N-O 3.36Å; Y127-S155 PolarHBondContact O-N 3.15Å
128	D	86.9	Confident	83.8	Confident	4 Å²	4	45.9 Å²	45.9	2%	0.021	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	104.9	177.3	-159.9	-24.8	0	0	0	110.2	A130 Y131 R132 T133 T153 R154	D128-A130 PolarHBondContact O-N 2.99Å; D128-A130 PolarHBondContact OD1-N 2.87Å; D128-Y131 PolarHBondContact O-N 3.37Å; D128-R132 WeakPolarHBondContact O-CA 3.32Å; D128-R132 PolarHBondContact O-N 3.15Å; D128-T133 PolarHBondContact N-O 3.31Å; D128-T133 PolarHBondContact O-N 2.02Å; D128-T153 WeakPolarHBondContact OD1-CB 3.49Å; D128-T153 PolarHBondContact OD1-OG1 2.72Å; D128-R154 HydrophobicContact CB-CG 3.85Å; D128-R154 IonicContact OD2-CZ 3.69Å; D128-R154 IonicContact OD2-NE 3.53Å; D128-R154 PolarHBondContact OD2-NE 3.27Å; D128-R154 IonicContact OD2-NH2 2.77Å; D128-R154 PolarHBondContact OD2-NH2 2.83Å
129	F	79.7	Confident	85.2	Confident	63 Å²	63	43.4 Å²	43.4	28%	0.276	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-64.7	-30.9	-175.8	-65.7	-95.9	0	0	0	112	C74 Y127 Y131 T153 S155	C74-F129 WeakPolarHBondContact SG-CZ 3.17Å; Y127-F129 AromaticContact CD1-CD1 3.96Å; Y127-F129 HydrophobicContact CD1-CD1 3.96Å; Y127-F129 AromaticContact CD1-CD2 4Å; Y127-F129 HydrophobicContact CD1-CD2 4Å; Y127-F129 AromaticContact CD1-CE1 3.98Å; Y127-F129 HydrophobicContact CD1-CE1 3.98Å; Y127-F129 HydrophobicContact CD1-CE2 4.02Å; Y127-F129 AromaticContact CD1-CG 3.97Å; Y127-F129 HydrophobicContact CD1-CG 3.97Å; Y127-F129 HydrophobicContact CD1-CZ 4.02Å; Y127-F129 HydrophobicContact CE1-CB 4.45Å; Y127-F129 AromaticContact CE1-CD1 3.7Å; Y127-F129 HydrophobicContact CE1-CD1 3.7Å; Y127-F129 HydrophobicContact CE1-CD2 4.44Å; Y127-F129 AromaticContact CE1-CE1 3.99Å; Y127-F129 HydrophobicContact CE1-CE1 3.99Å; Y127-F129 AromaticContact CE1-CG 3.94Å; Y127-F129 HydrophobicContact CE1-CG 3.94Å; Y127-F129 HydrophobicContact CE1-CZ 4.5Å; F129-Y131 PolarHBondContact O-N 2.96Å; F129-T153 WeakPolarHBondContact CD2-O 3.48Å; F129-T153 PolarHBondContact N-O 3.44Å; F129-S155 WeakPolarHBondContact CE2-OG 3.29Å
130	A	74.7	Confident	86	Confident	63 Å²	63	40 Å²	40	52%	0.521	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-68.8	-22.6	-179.8	0	0	0	0	0	113.4	D128 T153	D128-A130 PolarHBondContact O-N 2.99Å; D128-A130 PolarHBondContact OD1-N 2.87Å; A130-T153 HydrophobicContact CB-CG2 4.15Å
131	Y	75.9	Confident	86.1	Confident	159 Å²	159	34.6 Å²	34.6	62%	0.624	17%	0.173	S	C	*	.	G	3₁₀ helix	trans	-127.1	9.1	-175.6	-60.9	-68.8	0	0	0	113.6	T99 D128 F129 T133	T99-Y131 PolarHBondContact OG1-O 3.12Å; D128-Y131 PolarHBondContact O-N 3.37Å; F129-Y131 PolarHBondContact O-N 2.96Å; Y131-T133 WeakPolarHBondContact CB-OG1 3.22Å; Y131-T133 PolarHBondContact O-N 2.65Å; Y131-T133 VanDerWaalsContact O-N 3.08Å; Y131-T133 PolarHBondContact O-OG1 3.16Å
132	R	81.9	Confident	85.7	Confident	75 Å²	75	39.9 Å²	39.9	28%	0.283	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	41.9	44	-172.8	-53.5	-167	-161.2	-147.3	14.6	112.7	P100 V101 D128 E342 T346	P100-R132 HydrophobicContact CB-CB 4.29Å; V101-R132 PolarHBondContact N-O 2.82Å; D128-R132 WeakPolarHBondContact O-CA 3.32Å; D128-R132 PolarHBondContact O-N 3.15Å; R132-E342 IonicContact CZ-OE2 2.65Å; R132-E342 VanDerWaalsContact NH2-CD 3.34Å; R132-E342 IonicContact NH2-OE1 2.77Å; R132-E342 PolarHBondContact NH2-OE1 2.92Å; R132-E342 IonicContact NH2-OE2 2.81Å; R132-E342 PolarHBondContact NH2-OE2 2.98Å; R132-T346 VanDerWaalsContact NH1-CG2 3.29Å; R132-T346 VanDerWaalsContact NH2-CG2 3.34Å
133	T	83	Confident	84.7	Confident	11 Å²	11	42.5 Å²	42.5	7%	0.067	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	124.1	-169.4	-64.5	0	0	0	0	110.5	R97 R98 T99 Y127 D128 Y131	R97-T133 HydrophobicContact CG-CG2 3.9Å; R98-T133 WeakPolarHBondContact O-CA 3.11Å; T99-T133 WeakPolarHBondContact CB-OG1 3.47Å; T99-T133 PolarHBondContact OG1-OG1 3.15Å; Y127-T133 WeakPolarHBondContact CA-O 3.09Å; D128-T133 PolarHBondContact N-O 3.31Å; D128-T133 PolarHBondContact O-N 2.02Å; Y131-T133 WeakPolarHBondContact CB-OG1 3.22Å; Y131-T133 PolarHBondContact O-N 2.65Å; Y131-T133 VanDerWaalsContact O-N 3.08Å; Y131-T133 PolarHBondContact O-OG1 3.16Å
134	C	90.9	Very high	83.4	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	121.6	176.3	179.5	0	0	0	0	110.3	R97 R98 V101 C106 Y127	R97-C134 CarbonylContact C-O 3.59Å; R97-C134 WeakPolarHBondContact CA-O 3.36Å; R98-C134 HydrophobicContact CB-CB 4.36Å; R98-C134 PolarHBondContact N-O 3.38Å; R98-C134 PolarHBondContact O-N 2.84Å; V101-C134 HydrophobicContact CG1-CB 3.39Å; C106-C134 WeakPolarHBondContact CA-SG 3.14Å; C106-C134 HydrophobicContact CB-CB 3.56Å; C106-C134 WeakPolarHBondContact CB-SG 3.44Å; C106-C134 VanDerWaalsContact SG-CA 3.52Å; C106-C134 WeakPolarHBondContact SG-CB 3.42Å; C106-C134 CovalentContact SG-SG 2.02Å; C106-C134 PolarHBondContact SG-SG 2.89Å; Y127-C134 HydrophobicContact CD2-CB 4.45Å
135	D	91.8	Very high	82.3	Confident	4 Å²	4	43.4 Å²	43.4	2%	0.021	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	112	175.3	-71.8	-3.2	0	0	0	109	P94 R97 V125 V126 F137 Y578	P94-D135 HydrophobicContact CB-CB 3.89Å; P94-D135 HydrophobicContact CG-CB 3.97Å; R97-D135 IonicContact CZ-OD1 3.16Å; R97-D135 IonicContact CZ-OD2 3.19Å; R97-D135 IonicContact NE-OD1 2.93Å; R97-D135 PolarHBondContact NE-OD1 3.4Å; R97-D135 IonicContact NE-OD2 3.69Å; R97-D135 IonicContact NH2-OD1 2.85Å; R97-D135 PolarHBondContact NH2-OD1 2.8Å; R97-D135 IonicContact NH2-OD2 2.76Å; R97-D135 PolarHBondContact NH2-OD2 3.34Å; V125-D135 CarbonylContact C-O 3.59Å; V125-D135 WeakPolarHBondContact CA-O 3.45Å; V126-D135 HydrophobicContact CB-CB 4.28Å; V126-D135 PolarHBondContact N-O 3Å; V126-D135 WeakPolarHBondContact O-CB 3.4Å; V126-D135 PolarHBondContact O-N 3.14Å; D135-F137 HydrophobicContact CB-CD2 4.43Å; D135-F137 HydrophobicContact CB-CE2 3.52Å; D135-F137 HydrophobicContact CB-CZ 4.01Å; D135-F137 WeakPolarHBondContact O-CD2 3.31Å; D135-F137 WeakPolarHBondContact O-CE2 3.33Å; D135-Y578 PolarHBondContact OD2-OH 3.01Å
136	L	91.6	Very high	81.6	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	128.1	177.3	-58.1	-172.5	0	0	0	111.7	P94 F95 E96 L109 C110 K113 V125	P94-L136 CarbonylContact C-O 3.51Å; P94-L136 WeakPolarHBondContact CA-O 3.46Å; P94-L136 WeakPolarHBondContact CB-O 3.31Å; F95-L136 HydrophobicContact CD1-CB 4.37Å; F95-L136 WeakPolarHBondContact CD1-O 3.39Å; F95-L136 HydrophobicContact CE1-CB 3.73Å; F95-L136 WeakPolarHBondContact CE1-O 3Å; F95-L136 HydrophobicContact CE2-CB 4.29Å; F95-L136 HydrophobicContact CE2-CD1 4.44Å; F95-L136 HydrophobicContact CZ-CB 3.68Å; F95-L136 HydrophobicContact CZ-CD1 4.13Å; F95-L136 PolarHBondContact N-O 2.81Å; E96-L136 HydrophobicContact CB-CB 4.41Å; E96-L136 HydrophobicContact CB-CD1 4.34Å; E96-L136 PolarHBondContact O-N 2.83Å; L109-L136 HydrophobicContact CD2-CD1 3.76Å; L109-L136 HydrophobicContact CG-CD1 3.86Å; C110-L136 HydrophobicContact CB-CD2 4.03Å; K113-L136 HydrophobicContact CD-CD1 3.97Å; V125-L136 HydrophobicContact CB-CD2 4.44Å; V125-L136 HydrophobicContact CG1-CD2 4.15Å; V125-L136 HydrophobicContact CG2-CD2 3.78Å
137	F	90	Very high	81	Confident	4 Å²	4	48.5 Å²	48.5	2%	0.018	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	143.3	-176.3	-63.3	-100.8	0	0	0	112.3	I89 Y93 P94 R123 S124 V126 D135 V139	I89-F137 HydrophobicContact CB-CD1 4.39Å; I89-F137 HydrophobicContact CB-CE1 4.05Å; I89-F137 HydrophobicContact CB-CZ 4.2Å; I89-F137 HydrophobicContact CD1-CB 4.06Å; I89-F137 HydrophobicContact CD1-CD1 3.98Å; I89-F137 HydrophobicContact CD1-CD2 4.06Å; I89-F137 HydrophobicContact CD1-CE1 4.44Å; I89-F137 HydrophobicContact CD1-CG 3.78Å; I89-F137 HydrophobicContact CG2-CD1 4.28Å; I89-F137 HydrophobicContact CG2-CE1 4.06Å; Y93-F137 VanDerWaalsContact C-CD1 3.49Å; Y93-F137 VanDerWaalsContact C-CE1 3.45Å; Y93-F137 WeakPolarHBondContact O-CD1 3.38Å; P94-F137 HydrophobicContact CB-CD1 4.48Å; P94-F137 HydrophobicContact CB-CD2 4.44Å; P94-F137 HydrophobicContact CB-CE1 4.3Å; P94-F137 HydrophobicContact CB-CE2 4.25Å; P94-F137 HydrophobicContact CB-CZ 4.18Å; P94-F137 HydrophobicContact CG-CZ 4.34Å; R123-F137 PolarHBondContact N-O 2.86Å; S124-F137 PolarHBondContact N-O 3.21Å; S124-F137 PolarHBondContact O-N 2.88Å; V126-F137 HydrophobicContact CB-CE2 3.87Å; V126-F137 HydrophobicContact CG2-CD2 4.2Å; V126-F137 HydrophobicContact CG2-CE2 3.52Å; V126-F137 HydrophobicContact CG2-CZ 4.17Å; D135-F137 HydrophobicContact CB-CD2 4.43Å; D135-F137 HydrophobicContact CB-CE2 3.52Å; D135-F137 HydrophobicContact CB-CZ 4.01Å; D135-F137 WeakPolarHBondContact O-CD2 3.31Å; D135-F137 WeakPolarHBondContact O-CE2 3.33Å; F137-V139 VanDerWaalsContact C-N 3.25Å; F137-V139 HydrophobicContact CB-CG2 4.3Å; F137-V139 PolarHBondContact O-N 3.19Å
138	A	87.4	Confident	80.6	Confident	41 Å²	41	50.2 Å²	50.2	34%	0.339	28%	0.276	S	S	.	.	S	Bend	trans	-86.5	5.2	175.9	0	0	0	0	0	113.2	F95 Y120 R123	F95-A138 HydrophobicContact CD1-CB 4Å; F95-A138 HydrophobicContact CE1-CB 4.5Å; Y120-A138 HydrophobicContact CD1-CB 4.08Å; Y120-A138 HydrophobicContact CG-CB 4.49Å; R123-A138 VanDerWaalsContact CG-O 3.3Å; R123-A138 WeakPolarHBondContact CG-O 3.37Å
139	V	86.1	Confident	80.5	Confident	42 Å²	42	53.1 Å²	53.1	26%	0.255	29%	0.294	S	S	.	.	S	Bend	trans	-125.5	163	176.2	-63.9	0	0	0	0	109.4	I89 S124 F137 Q146	I89-V139 HydrophobicContact CD1-CG2 4.45Å; S124-V139 PolarHBondContact N-O 2.88Å; S124-V139 PolarHBondContact OG-O 2.95Å; F137-V139 VanDerWaalsContact C-N 3.25Å; F137-V139 HydrophobicContact CB-CG2 4.3Å; F137-V139 PolarHBondContact O-N 3.19Å; V139-Q146 HydrophobicContact CG2-CB 4.13Å; V139-Q146 HydrophobicContact CG2-CG 4.07Å
140	D	82.5	Confident	80.5	Confident	42 Å²	42	58.3 Å²	58.3	23%	0.225	32%	0.316	C	S	.	.			trans	-93.6	-10.6	169.2	73.4	-11.3	0	0	0	113.1	K142 Y156	D140-K142 VanDerWaalsContact C-N 3.3Å; D140-K142 PolarHBondContact O-N 2.89Å; D140-K142 WeakPolarHBondContact OD1-CB 3.46Å; D140-K142 PolarHBondContact OD1-N 3.07Å; D140-K142 VanDerWaalsContact OD2-CD 3.28Å; D140-K142 WeakPolarHBondContact OD2-CD 3.31Å; D140-K142 WeakPolarHBondContact OD2-CE 3.02Å; D140-K142 VanDerWaalsContact OD2-CG 3.31Å; D140-K142 WeakPolarHBondContact OD2-CG 3.24Å; D140-K142 IonicContact OD2-NZ 2.72Å; D140-K142 PolarHBondContact OD2-NZ 2.89Å; D140-Y156 WeakPolarHBondContact O-CE2 3.23Å; D140-Y156 PolarHBondContact O-OH 3.27Å
141	G	77.3	Confident	80.6	Confident	5 Å²	5	59.5 Å²	59.5	5%	0.052	31%	0.308	C	S	.	.	S	Bend	trans	72.5	20.5	-177.6	0	0	0	0	0	114.4	Q146 V147 V148	G141-Q146 CarbonylContact C-O 3.54Å; G141-Q146 VanDerWaalsContact C-O 3.24Å; G141-Q146 WeakPolarHBondContact CA-O 3.4Å; G141-Q146 VanDerWaalsContact O-O 3.08Å; G141-V147 WeakPolarHBondContact O-CA 3.44Å; G141-V148 PolarHBondContact O-N 2.78Å
142	K	77.1	Confident	80.3	Confident	152 Å²	152	56.9 Å²	56.9	66%	0.661	31%	0.313	S	S	*	.			trans	-92	-17.8	164.6	-58	-172.2	-160.2	110.5	0	112.6	D140	D140-K142 VanDerWaalsContact C-N 3.3Å; D140-K142 PolarHBondContact O-N 2.89Å; D140-K142 WeakPolarHBondContact OD1-CB 3.46Å; D140-K142 PolarHBondContact OD1-N 3.07Å; D140-K142 VanDerWaalsContact OD2-CD 3.28Å; D140-K142 WeakPolarHBondContact OD2-CD 3.31Å; D140-K142 WeakPolarHBondContact OD2-CE 3.02Å; D140-K142 VanDerWaalsContact OD2-CG 3.31Å; D140-K142 WeakPolarHBondContact OD2-CG 3.24Å; D140-K142 IonicContact OD2-NZ 2.72Å; D140-K142 PolarHBondContact OD2-NZ 2.89Å
143	S	67.8	Low	79.9	Confident	56 Å²	56	55.7 Å²	55.7	39%	0.392	31%	0.314	S	S	.	.	S	Bend	trans	-100.1	120.1	179.3	57.4	0	0	0	0	111.8	Q146	S143-Q146 CarbonylContact C-O 3.52Å; S143-Q146 PolarHBondContact O-N 3.47Å; S143-Q146 VanDerWaalsContact O-N 3.15Å; S143-Q146 PolarHBondContact O-OE1 3.46Å
144	P	61.6	Low	79.9	Confident	111 Å²	111	56.3 Å²	56.3	72%	0.721	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	146	172.9	-25.8	35	0	0	0	112.6
145	P	69.2	Low	79.7	Confident	65 Å²	65	56.4 Å²	56.4	42%	0.422	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	cis	-78.5	-11.7	6.2	30.9	-34.9	0	0	0	114.7	Q91 V147	Q91-P145 HydrophobicContact CB-CB 4.42Å; Q91-P145 WeakPolarHBondContact CB-O 3.39Å; Q91-P145 PolarHBondContact OE1-O 3.33Å; P145-V147 PolarHBondContact O-N 3.15Å
146	Q	77.1	Confident	79.6	Confident	43 Å²	43	56.8 Å²	56.8	20%	0.201	32%	0.317	C	S	.	.			trans	-75.4	118.7	-176.7	-61.6	85.8	19.4	0	0	111.2	I89 A90 V139 G141 S143	I89-Q146 HydrophobicContact CG2-CB 4.21Å; A90-Q146 WeakPolarHBondContact O-CA 3.17Å; V139-Q146 HydrophobicContact CG2-CB 4.13Å; V139-Q146 HydrophobicContact CG2-CG 4.07Å; G141-Q146 CarbonylContact C-O 3.54Å; G141-Q146 VanDerWaalsContact C-O 3.24Å; G141-Q146 WeakPolarHBondContact CA-O 3.4Å; G141-Q146 VanDerWaalsContact O-O 3.08Å; S143-Q146 CarbonylContact C-O 3.52Å; S143-Q146 PolarHBondContact O-N 3.47Å; S143-Q146 VanDerWaalsContact O-N 3.15Å; S143-Q146 PolarHBondContact O-OE1 3.46Å
147	V	79.8	Confident	79.5	Confident	65 Å²	65	56.8 Å²	56.8	39%	0.394	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	135.5	-177.3	-66.1	0	0	0	0	111.1	A90 G141 P145 T149	A90-V147 HydrophobicContact CB-CG2 4.32Å; A90-V147 PolarHBondContact N-O 2.94Å; A90-V147 PolarHBondContact O-N 2.88Å; A90-V147 VanDerWaalsContact O-N 3.16Å; G141-V147 WeakPolarHBondContact O-CA 3.44Å; P145-V147 PolarHBondContact O-N 3.15Å; V147-T149 PolarHBondContact O-N 3.44Å
148	V	81	Confident	79.5	Confident	49 Å²	49	57.9 Å²	57.9	30%	0.297	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	121.3	173.4	-179	0	0	0	0	109.6	F87 I89 G141 Y156	F87-V148 HydrophobicContact CB-CG1 3.76Å; F87-V148 HydrophobicContact CD1-CG1 3.77Å; F87-V148 HydrophobicContact CG-CG1 4.06Å; I89-V148 HydrophobicContact CG1-CG2 4.29Å; G141-V148 PolarHBondContact O-N 2.78Å; V148-Y156 HydrophobicContact CG1-CD1 4.31Å; V148-Y156 HydrophobicContact CG1-CE1 4.46Å; V148-Y156 HydrophobicContact CG1-CG 4.42Å; V148-Y156 HydrophobicContact CG2-CD2 4.27Å; V148-Y156 HydrophobicContact CG2-CE1 4.12Å; V148-Y156 HydrophobicContact CG2-CE2 3.75Å
149	T	83.3	Confident	79.4	Confident	66 Å²	66	56.8 Å²	56.8	41%	0.405	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	160.6	-179.8	-165.1	0	0	0	0	111.8	F87 S88 A90 V147	F87-T149 CarbonylContact C-O 3.5Å; F87-T149 VanDerWaalsContact CA-O 3.26Å; F87-T149 WeakPolarHBondContact CA-O 3.37Å; F87-T149 WeakPolarHBondContact CD1-O 3.24Å; S88-T149 PolarHBondContact N-O 2.56Å; S88-T149 PolarHBondContact O-N 2.85Å; S88-T149 VanDerWaalsContact O-O 3.14Å; A90-T149 HydrophobicContact CB-CG2 3.75Å; V147-T149 PolarHBondContact O-N 3.44Å
150	K	80.1	Confident	79.3	Confident	171 Å²	171	57.7 Å²	57.7	74%	0.743	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	127.6	-179	-164.8	174.2	-174.5	172.2	0	111	G86 F87	G86-K150 CarbonylContact O-C 3.59Å; G86-K150 WeakPolarHBondContact O-CA 3.46Å; G86-K150 WeakPolarHBondContact O-CG 3.48Å; F87-K150 HydrophobicContact CE1-CB 4.45Å
151	Y	76.6	Confident	79.1	Confident	88 Å²	88	58.2 Å²	58.2	35%	0.345	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	115.1	178.8	-156.2	-79.2	0	0	0	110.4	G86 T153 R154	G86-Y151 CarbonylContact C-O 2.99Å; G86-Y151 WeakPolarHBondContact CA-O 3.5Å; G86-Y151 PolarHBondContact O-N 3.19Å; Y151-T153 VanDerWaalsContact C-N 3.35Å; Y151-T153 WeakPolarHBondContact CE1-OG1 3.17Å; Y151-T153 PolarHBondContact O-N 3.09Å; Y151-R154 HydrophobicContact CD1-CB 4.3Å; Y151-R154 HydrophobicContact CD1-CG 3.73Å; Y151-R154 HydrophobicContact CE1-CG 4.34Å; Y151-R154 HydrophobicContact CG-CG 4.46Å; Y151-R154 PolarHBondContact O-N 3.27Å
152	S	71	Confident	79	Confident	104 Å²	104	64.9 Å²	64.9	73%	0.727	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	-16.4	-160	54	0	0	0	0	116.6
153	T	73.5	Confident	78.9	Confident	50 Å²	50	59 Å²	59	31%	0.307	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	6.9	178.9	67.2	0	0	0	0	113.6	D128 F129 A130 Y151	D128-T153 WeakPolarHBondContact OD1-CB 3.49Å; D128-T153 PolarHBondContact OD1-OG1 2.72Å; F129-T153 WeakPolarHBondContact CD2-O 3.48Å; F129-T153 PolarHBondContact N-O 3.44Å; A130-T153 HydrophobicContact CB-CG2 4.15Å; Y151-T153 VanDerWaalsContact C-N 3.35Å; Y151-T153 WeakPolarHBondContact CE1-OG1 3.17Å; Y151-T153 PolarHBondContact O-N 3.09Å
154	R	82.8	Confident	78.7	Confident	25 Å²	25	61.9 Å²	61.9	9%	0.094	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	149.5	-167.8	-68.3	174	-176.2	-153.3	-12.4	112.7	G86 F87 S88 V126 Y127 D128 Y151 Y578	G86-R154 CarbonylContact C-O 3.49Å; G86-R154 WeakPolarHBondContact CA-O 3.37Å; G86-R154 PolarHBondContact N-O 3.48Å; F87-R154 PolarHBondContact N-O 3.29Å; F87-R154 WeakPolarHBondContact O-CB 3.45Å; S88-R154 PolarHBondContact OG-NH1 2.89Å; V126-R154 HydrophobicContact CG1-CB 3.98Å; V126-R154 HydrophobicContact CG1-CG 4.13Å; Y127-R154 VanDerWaalsContact O-CA 3.23Å; Y127-R154 WeakPolarHBondContact O-CA 3.3Å; D128-R154 HydrophobicContact CB-CG 3.85Å; D128-R154 IonicContact OD2-CZ 3.69Å; D128-R154 IonicContact OD2-NE 3.53Å; D128-R154 PolarHBondContact OD2-NE 3.27Å; D128-R154 IonicContact OD2-NH2 2.77Å; D128-R154 PolarHBondContact OD2-NH2 2.83Å; Y151-R154 HydrophobicContact CD1-CB 4.3Å; Y151-R154 HydrophobicContact CD1-CG 3.73Å; Y151-R154 HydrophobicContact CE1-CG 4.34Å; Y151-R154 HydrophobicContact CG-CG 4.46Å; Y151-R154 PolarHBondContact O-N 3.27Å; R154-Y578 VanDerWaalsContact CZ-OH 3.32Å; R154-Y578 PolarHBondContact NH1-OH 3.08Å; R154-Y578 PolarHBondContact NH2-OH 3.41Å
155	S	86	Confident	78.6	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.007	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	138.6	162.8	-67.4	0	0	0	0	109.4	T72 P85 F87 V126 Y127 F129 F157	T72-S155 PolarHBondContact O-OG 3.46Å; P85-S155 WeakPolarHBondContact CA-OG 3.33Å; F87-S155 CarbonylContact O-C 3.6Å; V126-S155 WeakPolarHBondContact CA-O 3.42Å; Y127-S155 PolarHBondContact N-O 3.36Å; Y127-S155 PolarHBondContact O-N 3.15Å; F129-S155 WeakPolarHBondContact CE2-OG 3.29Å; S155-F157 VanDerWaalsContact O-CE2 3.25Å; S155-F157 WeakPolarHBondContact O-CE2 3.46Å
156	Y	89	Confident	77.5	Confident	13 Å²	13	66.2 Å²	66.2	5%	0.051	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	140.5	176.3	151.1	-85.9	0	0	0	109	S84 F87 I89 V125 V126 D140 V148 V158	S84-Y156 PolarHBondContact N-O 3.21Å; S84-Y156 PolarHBondContact O-N 2.84Å; S84-Y156 VanDerWaalsContact O-N 3.12Å; F87-Y156 PolarHBondContact O-N 2.69Å; I89-Y156 HydrophobicContact CD1-CD2 4.26Å; I89-Y156 HydrophobicContact CD1-CE2 4.02Å; I89-Y156 HydrophobicContact CG1-CD2 4.05Å; I89-Y156 HydrophobicContact CG1-CE2 4.04Å; V125-Y156 CarbonylContact O-C 3.48Å; V125-Y156 VanDerWaalsContact O-CA 3.3Å; V125-Y156 WeakPolarHBondContact O-CA 3.41Å; V126-Y156 HydrophobicContact CG2-CD2 4.31Å; D140-Y156 WeakPolarHBondContact O-CE2 3.23Å; D140-Y156 PolarHBondContact O-OH 3.27Å; V148-Y156 HydrophobicContact CG1-CD1 4.31Å; V148-Y156 HydrophobicContact CG1-CE1 4.46Å; V148-Y156 HydrophobicContact CG1-CG 4.42Å; V148-Y156 HydrophobicContact CG2-CD2 4.27Å; V148-Y156 HydrophobicContact CG2-CE1 4.12Å; V148-Y156 HydrophobicContact CG2-CE2 3.75Å; Y156-V158 HydrophobicContact CE1-CG2 3.61Å; Y156-V158 HydrophobicContact CE2-CG2 4.1Å; Y156-V158 WeakPolarHBondContact OH-CG2 3.4Å
157	F	90.3	Very high	75.8	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	143.7	-176.3	-47.1	-97.1	0	0	0	111.6	C74 V76 F81 S82 C83 L107 S124 V125 S155	C74-F157 VanDerWaalsContact SG-CZ 3.55Å; V76-F157 HydrophobicContact CG2-CD1 4.21Å; V76-F157 HydrophobicContact CG2-CE1 3.72Å; F81-F157 HydrophobicContact CB-CB 4.45Å; F81-F157 HydrophobicContact CD1-CB 3.98Å; S82-F157 CarbonylContact O-C 3.48Å; S82-F157 WeakPolarHBondContact O-CA 3.43Å; C83-F157 HydrophobicContact CB-CD1 3.76Å; C83-F157 HydrophobicContact CB-CE1 3.93Å; C83-F157 WeakPolarHBondContact SG-CE1 2.99Å; L107-F157 HydrophobicContact CD1-CD1 4.46Å; L107-F157 HydrophobicContact CD1-CE1 4.48Å; L107-F157 HydrophobicContact CD2-CB 3.71Å; L107-F157 HydrophobicContact CD2-CD1 4.08Å; L107-F157 HydrophobicContact CD2-CD2 3.9Å; L107-F157 HydrophobicContact CD2-CG 3.64Å; S124-F157 CarbonylContact C-O 3.52Å; S124-F157 WeakPolarHBondContact CA-O 3.45Å; S124-F157 VanDerWaalsContact CB-O 3.28Å; S124-F157 WeakPolarHBondContact CB-O 3.41Å; V125-F157 HydrophobicContact CB-CB 4.22Å; V125-F157 HydrophobicContact CB-CD2 4.23Å; V125-F157 HydrophobicContact CG1-CD2 4.26Å; V125-F157 PolarHBondContact N-O 3Å; V125-F157 PolarHBondContact O-N 2.76Å; S155-F157 VanDerWaalsContact O-CE2 3.25Å; S155-F157 WeakPolarHBondContact O-CE2 3.46Å
158	V	89.1	Confident	73.4	Confident	26 Å²	26	73.7 Å²	73.7	16%	0.158	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	123.2	175.4	-171.7	0	0	0	0	108.5	F81 S82 Y156 T160	F81-V158 CarbonylContact C-O 3.5Å; F81-V158 VanDerWaalsContact CA-O 3.31Å; F81-V158 WeakPolarHBondContact CA-O 3.49Å; S82-V158 PolarHBondContact N-O 3.24Å; S82-V158 PolarHBondContact O-N 3.36Å; Y156-V158 HydrophobicContact CE1-CG2 3.61Å; Y156-V158 HydrophobicContact CE2-CG2 4.1Å; Y156-V158 WeakPolarHBondContact OH-CG2 3.4Å; V158-T160 PolarHBondContact O-N 3.32Å
159	P	87	Confident	71.1	Confident	18 Å²	18	76.6 Å²	76.6	12%	0.117	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	134.4	172.7	27.1	-33	0	0	0	110.3	C80 F81 Q114 R123 G161	C80-P159 WeakPolarHBondContact O-CA 3.4Å; F81-P159 HydrophobicContact CD1-CB 4.03Å; F81-P159 HydrophobicContact CE1-CB 3.73Å; F81-P159 HydrophobicContact CE1-CG 4.29Å; F81-P159 HydrophobicContact CZ-CB 4.28Å; Q114-P159 HydrophobicContact CG-CG 4.46Å; R123-P159 WeakPolarHBondContact O-CD 3.35Å; P159-G161 VanDerWaalsContact C-N 3.26Å; P159-G161 PolarHBondContact O-N 3.02Å
160	T	83.9	Confident	68.5	Low	62 Å²	62	82.1 Å²	82.1	38%	0.38	45%	0.446	S	S	.	.			trans	-76	-15.9	-179.9	60.9	0	0	0	0	113.2	K79 C80 V158 Q162	K79-T160 WeakPolarHBondContact O-CB 3.37Å; K79-T160 WeakPolarHBondContact O-CG2 3.48Å; K79-T160 PolarHBondContact O-OG1 3.09Å; C80-T160 PolarHBondContact O-N 2.86Å; C80-T160 PolarHBondContact O-OG1 2.83Å; V158-T160 PolarHBondContact O-N 3.32Å; T160-Q162 VanDerWaalsContact C-N 3.26Å; T160-Q162 PolarHBondContact O-N 2.79Å; T160-Q162 PolarHBondContact OG1-N 2.79Å; T160-Q162 VanDerWaalsContact OG1-N 3.09Å
161	G	77.3	Confident	66	Low	53 Å²	53	83 Å²	83	55%	0.546	45%	0.453	S	S	.	.	S	Bend	trans	78.8	-3.6	-168.3	0	0	0	0	0	114.9	P159 C163	P159-G161 VanDerWaalsContact C-N 3.26Å; P159-G161 PolarHBondContact O-N 3.02Å; G161-C163 VanDerWaalsContact C-N 3.32Å
162	Q	75.1	Confident	64	Low	145 Å²	145	84.7 Å²	84.7	68%	0.678	47%	0.474	S	S	*	.	S	Bend	trans	-76	-19.9	179.3	-60.1	-175.1	0.9	0	0	113.4	K79 T160	K79-Q162 WeakPolarHBondContact O-CB 3.49Å; K79-Q162 PolarHBondContact O-OE1 2.76Å; T160-Q162 VanDerWaalsContact C-N 3.26Å; T160-Q162 PolarHBondContact O-N 2.79Å; T160-Q162 PolarHBondContact OG1-N 2.79Å; T160-Q162 VanDerWaalsContact OG1-N 3.09Å
163	C	75.2	Confident	61.9	Low	28 Å²	28	87.7 Å²	87.7	19%	0.189	48%	0.482	C	S	.	.			trans	-117.7	132.5	-177.2	-57.9	0	0	0	0	110.8	C80 L111 G161	C80-C163 WeakPolarHBondContact CA-SG 3.29Å; C80-C163 HydrophobicContact CB-CB 3.58Å; C80-C163 WeakPolarHBondContact CB-SG 3.35Å; C80-C163 WeakPolarHBondContact SG-CB 3.01Å; C80-C163 CovalentContact SG-SG 2.03Å; C80-C163 PolarHBondContact SG-SG 2.93Å; L111-C163 HydrophobicContact CD2-CB 4.05Å; L111-C163 WeakPolarHBondContact CD2-O 3.5Å; G161-C163 VanDerWaalsContact C-N 3.32Å
164	T	64.6	Low	59.6	Low	116 Å²	116	88.7 Å²	88.7	71%	0.712	50%	0.503	S	S	*	.			trans	-127.5	137.7	170.5	55.3	0	0	0	0	109.2	K166	T164-K166 PolarHBondContact O-N 2.78Å; T164-K166 VanDerWaalsContact O-N 3.1Å
165	K	58.6	Low	57.2	Low	78 Å²	78	96 Å²	96	34%	0.339	54%	0.538	S	S	.	.			trans	-77.7	98.9	179.3	-170.9	164.3	-175.4	163.9	0	109.3	D108 L111 E112 T167	D108-K165 WeakPolarHBondContact OD1-CD 3.43Å; D108-K165 IonicContact OD1-NZ 2.7Å; D108-K165 PolarHBondContact OD1-NZ 2.89Å; D108-K165 IonicContact OD2-NZ 2.65Å; D108-K165 PolarHBondContact OD2-NZ 2.97Å; L111-K165 HydrophobicContact CB-CB 4.09Å; E112-K165 HydrophobicContact CB-CD 4.35Å; K165-T167 PolarHBondContact O-N 2.81Å
166	K	47.1	Very low	54.3	Low	190 Å²	190	105.5 Å²	105.5	83%	0.826	58%	0.582	S	S	*	*			trans	-55.6	123.6	-179.4	-76.3	-175.1	174.8	-178.5	0	111	T164 T168	T164-K166 PolarHBondContact O-N 2.78Å; T164-K166 VanDerWaalsContact O-N 3.1Å; K166-T168 PolarHBondContact O-N 3.03Å
167	T	41.3	Very low	51.7	Low	126 Å²	126	110.2 Å²	110.2	77%	0.773	61%	0.612	S	S	*	*			trans	-61	131.6	165.5	-50.8	0	0	0	0	109.2	K165 V169	K165-T167 PolarHBondContact O-N 2.81Å; T167-V169 PolarHBondContact O-N 3.48Å; T167-V169 VanDerWaalsContact O-N 3.1Å
168	T	29.7	Very low	49.1	Very low	139 Å²	139	120 Å²	120	85%	0.853	66%	0.658	S	S	*	*			trans	-66.6	106.2	-176.6	46.2	0	0	0	0	112.2	K166	K166-T168 PolarHBondContact O-N 3.03Å
169	V	31.2	Very low	47.1	Very low	110 Å²	110	121.8 Å²	121.8	67%	0.667	68%	0.681	S	S	*	*			trans	-143.2	128.7	168.6	-179.5	0	0	0	0	109	T167	T167-V169 PolarHBondContact O-N 3.48Å; T167-V169 VanDerWaalsContact O-N 3.1Å
170	Q	30.1	Very low	46.3	Very low	182 Å²	182	123.7 Å²	123.7	85%	0.85	69%	0.69	S	S	*	*			trans	62.9	124.2	166.3	-72.9	162	-19.9	0	0	119.1
171	E	26.7	Very low	46.2	Very low	190 Å²	190	121.7 Å²	121.7	89%	0.888	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-74.5	142.2	160.6	-63.4	159.2	125.3	0	0	109.8
172	P	34.2	Very low	46.4	Very low	122 Å²	122	122.9 Å²	122.9	79%	0.792	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-99	140.5	158.4	34.6	-28.1	0	0	0	110.9
173	D	27.2	Very low	46.6	Very low	167 Å²	167	125.8 Å²	125.8	89%	0.893	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-64.6	141.5	-173.9	-64.2	-87.1	0	0	0	115.5
174	G	25.9	Very low	46.9	Very low	72 Å²	72	126.7 Å²	126.7	74%	0.742	71%	0.706	S	S	*	*				54.7	90	127.2	0	0	0	0	0	119.9
175	Q	31	Very low	48	Very low	179 Å²	179	123 Å²	123	84%	0.836	68%	0.681	S	S	*	*			trans	-136.2	110.8	145.4	-156.7	84.7	54.6	0	0	109	T177	Q175-T177 PolarHBondContact O-N 2.98Å
176	Q	26.8	Very low	49.3	Very low	199 Å²	199	122.1 Å²	122.1	93%	0.93	68%	0.679	S	S	*	*			trans	-68.8	126.8	175.5	-71.6	174	-22.2	0	0	109.8
177	T	32.6	Very low	51.3	Low	112 Å²	112	114.9 Å²	114.9	69%	0.687	65%	0.652	S	S	*	*			trans	-127.9	134.6	168.9	48.6	0	0	0	0	108.6	Q175 G179	Q175-T177 PolarHBondContact O-N 2.98Å; T177-G179 PolarHBondContact O-N 3.37Å
178	E	37.6	Very low	53.5	Low	206 Å²	206	110.5 Å²	110.5	96%	0.963	62%	0.622	S	S	*	*			trans	-57.9	111.7	-176.1	-63.9	176.3	132.9	0	0	110.5
179	G	47	Very low	56.4	Low	63 Å²	63	104.7 Å²	104.7	65%	0.649	59%	0.585	S	S	*	*			trans	-73.3	139.7	-174.3	0	0	0	0	0	111.9	T177 C181	T177-G179 PolarHBondContact O-N 3.37Å; G179-C181 PolarHBondContact O-N 2.86Å
180	M	69.2	Low	59.3	Low	58 Å²	58	99.5 Å²	99.5	29%	0.286	55%	0.554	S	S	.	*	S	Bend	trans	-73.3	-14.2	174.5	-162.9	175.3	83.1	0	0	113.3	P234 I269	M180-P234 HydrophobicContact CG-CB 3.66Å; M180-P234 HydrophobicContact CG-CG 4.09Å; M180-P234 HydrophobicContact SD-CB 3.77Å; M180-I269 HydrophobicContact CE-CB 3.65Å; M180-I269 HydrophobicContact CE-CD1 3.66Å; M180-I269 HydrophobicContact CE-CG1 4.24Å; M180-I269 HydrophobicContact CE-CG2 3.33Å
181	C	81	Confident	62.2	Low	21 Å²	21	92 Å²	92	14%	0.142	52%	0.518	C	S	.	.	S	Bend	trans	-115.8	161.9	175	-62.2	0	0	0	0	110	G179 E185 C271	G179-C181 PolarHBondContact O-N 2.86Å; C181-E185 HydrophobicContact CB-CB 3.77Å; C181-C271 WeakPolarHBondContact CA-SG 3.26Å; C181-C271 HydrophobicContact CB-CB 3.65Å; C181-C271 WeakPolarHBondContact CB-SG 3Å; C181-C271 VanDerWaalsContact SG-CA 3.58Å; C181-C271 WeakPolarHBondContact SG-CB 3.46Å; C181-C271 CovalentContact SG-SG 2.03Å; C181-C271 PolarHBondContact SG-SG 2.92Å
182	S	83	Confident	65.4	Low	78 Å²	78	82.9 Å²	82.9	55%	0.545	48%	0.476	S	S	.	.			trans	-62.3	159.7	177.2	-42	0	0	0	0	111.9	G184 E185	S182-G184 PolarHBondContact O-N 3.02Å; S182-E185 VanDerWaalsContact CB-OE2 3.31Å; S182-E185 WeakPolarHBondContact CB-OE2 3.05Å; S182-E185 PolarHBondContact N-OE2 3.21Å; S182-E185 PolarHBondContact O-N 3.43Å; S182-E185 PolarHBondContact OG-OE2 3Å
183	E	79.3	Confident	68.1	Low	205 Å²	205	79.9 Å²	79.9	96%	0.958	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	122.4	172.8	-170.5	179.4	174.6	0	0	110.8
184	G	81.5	Confident	71.1	Confident	47 Å²	47	72.8 Å²	72.8	49%	0.485	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.3	1.7	-175	0	0	0	0	0	115.9	S182 E274	S182-G184 PolarHBondContact O-N 3.02Å; G184-E274 WeakPolarHBondContact O-CB 3.46Å; G184-E274 PolarHBondContact O-N 2.76Å
185	E	87.4	Confident	74.2	Confident	40 Å²	40	71.2 Å²	71.2	19%	0.187	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	145.4	167.9	-69.4	-172.9	120.8	0	0	111.6	C181 S182 C271 F272 R306	C181-E185 HydrophobicContact CB-CB 3.77Å; S182-E185 VanDerWaalsContact CB-OE2 3.31Å; S182-E185 WeakPolarHBondContact CB-OE2 3.05Å; S182-E185 PolarHBondContact N-OE2 3.21Å; S182-E185 PolarHBondContact O-N 3.43Å; S182-E185 PolarHBondContact OG-OE2 3Å; E185-C271 HydrophobicContact CB-CB 4.18Å; E185-F272 CarbonylContact C-O 3.54Å; E185-F272 VanDerWaalsContact CA-O 3.25Å; E185-F272 WeakPolarHBondContact CA-O 3.17Å; E185-R306 IonicContact OE1-CZ 3.83Å; E185-R306 IonicContact OE1-NH1 3.98Å; E185-R306 PolarHBondContact OE1-NH1 2.87Å; E185-R306 IonicContact OE1-NH2 2.76Å; E185-R306 PolarHBondContact OE1-NH2 2.89Å
186	L	85.7	Confident	77	Confident	58 Å²	58	64.6 Å²	64.6	30%	0.304	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	143	170.9	-70.6	-179.5	0	0	0	111	F272 E274 V277	L186-F272 PolarHBondContact N-O 3.31Å; L186-F272 PolarHBondContact O-N 2.88Å; L186-E274 HydrophobicContact CD1-CB 4.22Å; L186-E274 HydrophobicContact CD1-CG 3.76Å; L186-E274 HydrophobicContact CG-CB 3.99Å; L186-E274 HydrophobicContact CG-CG 4.01Å; L186-V277 HydrophobicContact CB-CG2 3.91Å; L186-V277 HydrophobicContact CD1-CG2 4.41Å
187	P	88.1	Confident	80	Confident	39 Å²	39	56.6 Å²	56.6	25%	0.253	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	139.7	172.3	28.5	-33.1	0	0	0	111.5	V219 I269 E270	P187-V219 HydrophobicContact CB-CG1 4.46Å; P187-V219 HydrophobicContact CG-CG1 4Å; P187-I269 HydrophobicContact CB-CG2 3.56Å; P187-E270 CarbonylContact C-O 3.51Å; P187-E270 WeakPolarHBondContact CA-O 3.12Å
188	K	89.5	Confident	82.3	Confident	34 Å²	34	53.7 Å²	53.7	15%	0.148	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	133.9	165.4	-71.5	-69.6	160.4	-164.6	0	110.3	I269 E270 F272 V277 C280 F284	K188-I269 WeakPolarHBondContact O-CA 3.47Å; K188-E270 PolarHBondContact N-O 2.02Å; K188-E270 PolarHBondContact O-N 2.77Å; K188-F272 HydrophobicContact CB-CD2 4.17Å; K188-F272 HydrophobicContact CB-CE2 4.46Å; K188-F272 HydrophobicContact CG-CD2 4.32Å; K188-V277 HydrophobicContact CD-CB 4.45Å; K188-V277 WeakPolarHBondContact CE-O 3.25Å; K188-V277 HydrophobicContact CG-CB 4.12Å; K188-V277 HydrophobicContact CG-CG1 4.33Å; K188-V277 HydrophobicContact CG-CG2 4.34Å; K188-C280 WeakPolarHBondContact CE-O 2.89Å; K188-C280 PolarHBondContact NZ-O 3.44Å; K188-F284 HydrophobicContact CB-CE2 4.41Å; K188-F284 HydrophobicContact CD-CE1 4.48Å; K188-F284 HydrophobicContact CG-CE2 4.43Å; K188-F284 HydrophobicContact CG-CZ 4.2Å
189	I	89.8	Confident	84.3	Confident	17 Å²	17	45.6 Å²	45.6	9%	0.087	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	129.2	171.4	-60.8	149.9	0	0	0	107.8	E191 A215 V219 M267 I269 N283 F284	I189-E191 HydrophobicContact CG2-CG 4.4Å; I189-A215 HydrophobicContact CD1-CB 3.68Å; I189-A215 HydrophobicContact CG1-CB 4.28Å; I189-A215 HydrophobicContact CG2-CB 4.37Å; I189-V219 HydrophobicContact CD1-CG2 3.82Å; I189-V219 HydrophobicContact CG1-CG2 3.67Å; I189-M267 HydrophobicContact CG2-CB 4.12Å; I189-M267 HydrophobicContact CG2-SD 4.37Å; I189-I269 HydrophobicContact CG1-CG1 4.38Å; I189-N283 HydrophobicContact CB-CB 4.27Å; I189-N283 HydrophobicContact CG2-CB 4.37Å; I189-N283 WeakPolarHBondContact O-CA 3Å; I189-N283 WeakPolarHBondContact O-CB 3.32Å; I189-F284 PolarHBondContact O-N 3.25Å
190	V	91.2	Very high	85.8	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	117.5	169.3	175	0	0	0	0	107.6	V192 M267 M268 E270 F284 Y286	V190-V192 HydrophobicContact CG1-CG2 4.38Å; V190-M267 CarbonylContact O-C 3.55Å; V190-M267 WeakPolarHBondContact O-CA 3.33Å; V190-M268 HydrophobicContact CB-CE 4.39Å; V190-M268 HydrophobicContact CB-CG 3.96Å; V190-M268 HydrophobicContact CG1-CE 4.19Å; V190-M268 HydrophobicContact CG1-CG 4.4Å; V190-M268 PolarHBondContact N-O 2.99Å; V190-M268 PolarHBondContact O-N 2.74Å; V190-E270 HydrophobicContact CG2-CB 4.41Å; V190-E270 HydrophobicContact CG2-CG 3.94Å; V190-F284 CarbonylContact C-O 3.5Å; V190-F284 WeakPolarHBondContact CA-O 3.06Å; V190-F284 HydrophobicContact CG2-CB 4.34Å; V190-Y286 HydrophobicContact CB-CE1 4.41Å; V190-Y286 HydrophobicContact CG1-CD1 3.57Å; V190-Y286 HydrophobicContact CG1-CD2 3.61Å; V190-Y286 HydrophobicContact CG1-CE1 3.54Å; V190-Y286 HydrophobicContact CG1-CE2 3.58Å; V190-Y286 HydrophobicContact CG1-CG 3.57Å; V190-Y286 HydrophobicContact CG2-CE1 3.99Å; V190-Y286 HydrophobicContact CG2-CE2 4.44Å
191	E	91.9	Very high	86	Confident	24 Å²	24	40.7 Å²	40.7	11%	0.112	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	137	173.4	-64.5	175.9	-166.1	0	0	110.7	I189 T265 M267 N283 F284 V285 Y286	I189-E191 HydrophobicContact CG2-CG 4.4Å; E191-T265 HydrophobicContact CB-CG2 4.39Å; E191-M267 HydrophobicContact CG-CG 4.11Å; E191-M267 HydrophobicContact CG-SD 4.18Å; E191-N283 HydrophobicContact CG-CB 4.08Å; E191-N283 WeakPolarHBondContact OE1-CB 3.38Å; E191-N283 PolarHBondContact OE1-ND2 2.99Å; E191-F284 PolarHBondContact N-O 2.03Å; E191-V285 HydrophobicContact CB-CG2 4.46Å; E191-V285 WeakPolarHBondContact O-CA 2.81Å; E191-Y286 PolarHBondContact O-N 3.43Å
192	V	92.9	Very high	85.6	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	84.6	172.6	-162.4	0	0	0	0	108.8	V190 Y195 V255 L258 Y266 P288	V190-V192 HydrophobicContact CG1-CG2 4.38Å; V192-Y195 HydrophobicContact CG1-CD2 3.85Å; V192-Y195 HydrophobicContact CG1-CG 4.06Å; V192-V255 HydrophobicContact CG2-CG1 3.98Å; V192-L258 HydrophobicContact CB-CD1 4.12Å; V192-L258 HydrophobicContact CG1-CD1 3.88Å; V192-L258 HydrophobicContact CG2-CD1 4.16Å; V192-Y266 HydrophobicContact CB-CD1 4.23Å; V192-Y266 HydrophobicContact CG2-CD1 3.87Å; V192-Y266 PolarHBondContact N-O 3.13Å; V192-Y266 PolarHBondContact O-N 2.89Å; V192-P288 HydrophobicContact CG1-CG 4.17Å
193	P	90.9	Very high	85.4	Confident	59 Å²	59	42.1 Å²	42.1	38%	0.383	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	138.5	-175.4	-18.8	32.9	0	0	0	112.4	Y195 V285	P193-Y195 WeakPolarHBondContact O-CD2 3.3Å; P193-V285 HydrophobicContact CG-CG1 4.14Å
194	G	90.2	Very high	85.6	Confident	17 Å²	17	34.8 Å²	34.8	18%	0.175	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	81.4	18.8	-179.4	0	0	0	0	0	114.5	S260 N261 S264	G194-S260 CarbonylContact O-C 3.54Å; G194-S260 WeakPolarHBondContact O-CA 3.34Å; G194-S260 PolarHBondContact O-OG 3.04Å; G194-S260 VanDerWaalsContact O-OG 3.09Å; G194-N261 CarbonylContact C-O 3.59Å; G194-N261 VanDerWaalsContact CA-O 3.24Å; G194-N261 WeakPolarHBondContact CA-O 3.41Å; G194-N261 CarbonylContact O-C 3.58Å; G194-N261 PolarHBondContact O-N 2.99Å; G194-S264 WeakPolarHBondContact CA-O 3.33Å; G194-S264 PolarHBondContact N-O 3.13Å
195	Y	91.7	Very high	85.8	Confident	40 Å²	40	35.4 Å²	35.4	16%	0.157	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	155.6	-177.3	-75	-92.7	0	0	0	112.4	V192 P193 L258 R259 N261 S264 Y266 P288	V192-Y195 HydrophobicContact CG1-CD2 3.85Å; V192-Y195 HydrophobicContact CG1-CG 4.06Å; P193-Y195 WeakPolarHBondContact O-CD2 3.3Å; Y195-L258 HydrophobicContact CD1-CB 3.73Å; Y195-L258 HydrophobicContact CG-CB 4.29Å; Y195-R259 CarbonylContact C-O 3.59Å; Y195-R259 WeakPolarHBondContact CA-O 3.46Å; Y195-R259 WeakPolarHBondContact CD1-O 3.49Å; Y195-N261 PolarHBondContact N-O 3.02Å; Y195-S264 VanDerWaalsContact C-OG 3.27Å; Y195-S264 PolarHBondContact N-O 2.93Å; Y195-S264 PolarHBondContact O-OG 3.17Å; Y195-Y266 WeakPolarHBondContact O-CB 3.02Å; Y195-Y266 PolarHBondContact O-N 3.34Å; Y195-P288 HydrophobicContact CD2-CG 4.48Å; Y195-P288 HydrophobicContact CE1-CB 4.48Å; Y195-P288 HydrophobicContact CE1-CG 4.18Å; Y195-P288 HydrophobicContact CE2-CG 4.03Å
196	E	90.7	Very high	85.6	Confident	39 Å²	39	34.6 Å²	34.6	18%	0.182	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	155.4	174.7	62.9	173.3	-153.1	0	0	111.5	L258 R259 N261	E196-L258 WeakPolarHBondContact O-CA 3.35Å; E196-R259 HydrophobicContact CG-CB 4.05Å; E196-R259 PolarHBondContact N-O 2.87Å; E196-R259 PolarHBondContact O-N 3.04Å; E196-N261 HydrophobicContact CB-CB 4.45Å; E196-N261 HydrophobicContact CG-CB 3.91Å; E196-N261 PolarHBondContact OE2-ND2 2.79Å
197	D	88.2	Confident	85.3	Confident	32 Å²	32	37 Å²	37	17%	0.171	25%	0.249	C	C	.	.			trans	-104.3	121	156.4	169.3	36.3	0	0	0	108.9	G199 V200 S201 V252 L258 Y266	D197-G199 PolarHBondContact O-N 2.92Å; D197-G199 VanDerWaalsContact O-N 3.12Å; D197-G199 PolarHBondContact OD1-N 3.04Å; D197-G199 WeakPolarHBondContact OD2-CA 3.48Å; D197-G199 PolarHBondContact OD2-N 2.01Å; D197-V200 HydrophobicContact CB-CB 4.29Å; D197-V200 HydrophobicContact CB-CG2 4.15Å; D197-V200 PolarHBondContact O-N 3.26Å; D197-V200 WeakPolarHBondContact OD2-CG2 3.11Å; D197-V200 PolarHBondContact OD2-N 2.83Å; D197-S201 WeakPolarHBondContact O-CB 3.35Å; D197-S201 PolarHBondContact O-N 3.14Å; D197-S201 PolarHBondContact O-OG 3.43Å; D197-V252 HydrophobicContact CB-CG1 3.95Å; D197-L258 HydrophobicContact CB-CD2 3.79Å; D197-Y266 HydrophobicContact CB-CD2 3.95Å; D197-Y266 HydrophobicContact CB-CE2 3.78Å
198	P	81.3	Confident	84.8	Confident	51 Å²	51	38.3 Å²	38.3	33%	0.331	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-27.3	170.8	-28.4	36.5	0	0	0	114.9	S202 R259	P198-S202 PolarHBondContact O-N 3.46Å; P198-R259 HydrophobicContact CG-CG 4.13Å
199	G	79.1	Confident	84.4	Confident	36 Å²	36	37.4 Å²	37.4	37%	0.371	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-61.1	171.5	0	0	0	0	0	111.8	D197 S201 S202	D197-G199 PolarHBondContact O-N 2.92Å; D197-G199 VanDerWaalsContact O-N 3.12Å; D197-G199 PolarHBondContact OD1-N 3.04Å; D197-G199 WeakPolarHBondContact OD2-CA 3.48Å; D197-G199 PolarHBondContact OD2-N 2.01Å; G199-S201 VanDerWaalsContact C-N 3.29Å; G199-S201 PolarHBondContact O-N 2.89Å; G199-S202 WeakPolarHBondContact O-CA 3.46Å; G199-S202 PolarHBondContact O-N 2.95Å; G199-S202 PolarHBondContact O-OG 2.95Å
200	V	78.6	Confident	84.2	Confident	0 Å²	0	39 Å²	39	0%	0	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-60.9	-34.1	176.6	-176.2	0	0	0	0	112.7	D197 S202 G203 A237 V239 K250 Y266	D197-V200 HydrophobicContact CB-CB 4.29Å; D197-V200 HydrophobicContact CB-CG2 4.15Å; D197-V200 PolarHBondContact O-N 3.26Å; D197-V200 WeakPolarHBondContact OD2-CG2 3.11Å; D197-V200 PolarHBondContact OD2-N 2.83Å; V200-S202 PolarHBondContact O-N 3.22Å; V200-S202 VanDerWaalsContact O-N 3.1Å; V200-G203 PolarHBondContact O-N 3.47Å; V200-A237 HydrophobicContact CG2-CB 3.78Å; V200-V239 HydrophobicContact CB-CG2 3.84Å; V200-V239 HydrophobicContact CG1-CB 4.13Å; V200-V239 HydrophobicContact CG1-CG2 3.7Å; V200-K250 WeakPolarHBondContact CG2-O 3.39Å; V200-Y266 HydrophobicContact CB-CE2 4.49Å; V200-Y266 HydrophobicContact CG2-CE2 3.89Å
201	S	74.5	Confident	83.9	Confident	17 Å²	17	42 Å²	42	12%	0.119	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-63.3	-11.3	172.2	-65.7	0	0	0	0	113.7	D197 G199 R246	D197-S201 WeakPolarHBondContact O-CB 3.35Å; D197-S201 PolarHBondContact O-N 3.14Å; D197-S201 PolarHBondContact O-OG 3.43Å; G199-S201 VanDerWaalsContact C-N 3.29Å; G199-S201 PolarHBondContact O-N 2.89Å; S201-R246 VanDerWaalsContact O-CD 3.23Å; S201-R246 WeakPolarHBondContact O-CD 3.42Å; S201-R246 PolarHBondContact O-NH1 2.92Å
202	S	73.1	Confident	83.7	Confident	103 Å²	103	47 Å²	47	72%	0.72	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-102.4	5.9	169.2	72.6	0	0	0	0	114.3	P198 G199 V200	P198-S202 PolarHBondContact O-N 3.46Å; G199-S202 WeakPolarHBondContact O-CA 3.46Å; G199-S202 PolarHBondContact O-N 2.95Å; G199-S202 PolarHBondContact O-OG 2.95Å; V200-S202 PolarHBondContact O-N 3.22Å; V200-S202 VanDerWaalsContact O-N 3.1Å
203	G	78.4	Confident	83.4	Confident	26 Å²	26	50.4 Å²	50.4	27%	0.268	33%	0.33	S	S	.	.	S	Bend	trans	-75.9	-177.6	-179.5	0	0	0	0	0	114.8	V200 A205 V247	V200-G203 PolarHBondContact O-N 3.47Å; G203-A205 PolarHBondContact O-N 2.72Å; G203-V247 WeakPolarHBondContact CA-O 3.28Å
204	S	83.4	Confident	83.4	Confident	51 Å²	51	47.6 Å²	47.6	36%	0.357	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	123.8	-176.7	-61.4	0	0	0	0	111	R246 V247	S204-R246 WeakPolarHBondContact O-CA 3.37Å; S204-V247 PolarHBondContact N-O 3Å; S204-V247 WeakPolarHBondContact O-CG2 3.22Å; S204-V247 PolarHBondContact O-N 3.24Å
205	A	85.4	Confident	83.3	Confident	61 Å²	61	47 Å²	47	50%	0.504	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	134.8	-179.5	0	0	0	0	0	112.5	G203 C245 R246	G203-A205 PolarHBondContact O-N 2.72Å; A205-C245 CarbonylContact C-O 3.49Å; A205-C245 WeakPolarHBondContact CA-O 3.44Å; A205-R246 HydrophobicContact CB-CG 4.24Å
206	L	83.4	Confident	83	Confident	23 Å²	23	49.5 Å²	49.5	12%	0.12	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	116.2	172.1	-58.8	178.9	0	0	0	109	A217 L229 C245 V247	L206-A217 HydrophobicContact CD1-CB 4.2Å; L206-L229 HydrophobicContact CD1-CD2 3.89Å; L206-L229 HydrophobicContact CD2-CD2 3.96Å; L206-C245 HydrophobicContact CB-CB 4.11Å; L206-C245 PolarHBondContact N-O 2.62Å; L206-C245 WeakPolarHBondContact O-CB 3.47Å; L206-V247 HydrophobicContact CD1-CG1 3.84Å; L206-V247 HydrophobicContact CD1-CG2 4.1Å; L206-V247 HydrophobicContact CG-CG1 4.5Å; L206-V247 HydrophobicContact CG-CG2 4.17Å
207	S	78.3	Confident	82.9	Confident	109 Å²	109	47.9 Å²	47.9	76%	0.762	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	150.2	-178.4	58.2	0	0	0	0	112	H209	S207-H209 PolarHBondContact O-N 3.1Å; S207-H209 VanDerWaalsContact O-N 3.12Å; S207-H209 PolarHBondContact O-ND1 2.96Å
208	G	77.6	Confident	83	Confident	65 Å²	65	46.4 Å²	46.4	67%	0.67	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	17.3	171.5	0	0	0	0	0	116.2	K224	G208-K224 PolarHBondContact O-NZ 3.41Å
209	H	81.1	Confident	83.3	Confident	15 Å²	15	46.3 Å²	46.3	7%	0.069	30%	0.302	C	S	.	.			trans	-92.2	137.5	173	-67.8	53.1	0	0	0	110.2	S207 E213 C214 Y240 C245	S207-H209 PolarHBondContact O-N 3.1Å; S207-H209 VanDerWaalsContact O-N 3.12Å; S207-H209 PolarHBondContact O-ND1 2.96Å; H209-E213 HydrophobicContact CB-CB 4.46Å; H209-C214 HydrophobicContact CB-CB 4.13Å; H209-Y240 VanDerWaalsContact O-CE2 3.29Å; H209-Y240 WeakPolarHBondContact O-CE2 3.45Å; H209-Y240 PolarHBondContact O-OH 3.23Å; H209-Y240 VanDerWaalsContact O-OH 3.09Å; H209-C245 HydrophobicContact CB-CB 4.22Å
210	S	86.3	Confident	83.7	Confident	51 Å²	51	47.7 Å²	47.7	36%	0.357	31%	0.306	S	S	.	.			trans	-75.7	162.7	163	63	0	0	0	0	110.7	K212 E213 C214 Y240	S210-K212 PolarHBondContact O-N 2.76Å; S210-K212 VanDerWaalsContact O-N 3.16Å; S210-E213 VanDerWaalsContact CB-OE2 3.3Å; S210-E213 WeakPolarHBondContact CB-OE2 3.3Å; S210-E213 PolarHBondContact N-OE2 2.65Å; S210-E213 PolarHBondContact O-N 2.91Å; S210-E213 VanDerWaalsContact O-N 3.15Å; S210-E213 VanDerWaalsContact OG-CG 3.29Å; S210-E213 WeakPolarHBondContact OG-CG 3.42Å; S210-E213 PolarHBondContact OG-OE2 3.29Å; S210-C214 WeakPolarHBondContact O-CB 3.32Å; S210-C214 PolarHBondContact O-N 3.16Å; S210-Y240 WeakPolarHBondContact CA-OH 3.48Å
211	M	85.5	Confident	84.1	Confident	63 Å²	63	49.9 Å²	49.9	31%	0.31	32%	0.317	S	S	.	.	H	α-helix	trans	-51.2	-40.9	179.4	-174.9	-177.6	-74	0	0	113	C214 A215 Y240 T265 M267	M211-C214 WeakPolarHBondContact O-CB 3.18Å; M211-A215 PolarHBondContact O-N 3.08Å; M211-A215 VanDerWaalsContact O-N 3.15Å; M211-Y240 HydrophobicContact CB-CD1 3.78Å; M211-Y240 HydrophobicContact CB-CD2 4.37Å; M211-Y240 HydrophobicContact CB-CE1 3.86Å; M211-Y240 HydrophobicContact CB-CE2 4.46Å; M211-Y240 HydrophobicContact CB-CG 4.02Å; M211-Y240 HydrophobicContact CE-CD1 3.59Å; M211-Y240 HydrophobicContact CE-CE1 4.3Å; M211-Y240 HydrophobicContact CE-CG 4.31Å; M211-Y240 HydrophobicContact CG-CD1 4.12Å; M211-Y240 HydrophobicContact CG-CG 4.17Å; M211-T265 HydrophobicContact CE-CG2 4.42Å; M211-T265 WeakPolarHBondContact CE-OG1 3.28Å; M211-T265 HydrophobicContact SD-CG2 4.5Å; M211-M267 HydrophobicContact CG-CE 3.96Å; M211-M267 HydrophobicContact CG-SD 4.07Å
212	K	86.2	Confident	84.7	Confident	129 Å²	129	53.8 Å²	53.8	56%	0.561	33%	0.332	S	S	*	.	H	α-helix	trans	-67.8	-51.4	177.3	178.3	171.8	171.8	173.8	0	112	S210 C214 A215 E216	S210-K212 PolarHBondContact O-N 2.76Å; S210-K212 VanDerWaalsContact O-N 3.16Å; K212-C214 PolarHBondContact O-N 2.84Å; K212-A215 PolarHBondContact O-N 2.85Å; K212-A215 VanDerWaalsContact O-N 3.15Å; K212-E216 WeakPolarHBondContact CE-OE1 3.44Å; K212-E216 HydrophobicContact CG-CG 4.36Å; K212-E216 IonicContact NZ-OE1 3.73Å; K212-E216 WeakPolarHBondContact O-CG 3.4Å; K212-E216 PolarHBondContact O-N 3.35Å
213	E	87.8	Confident	85.1	Confident	72 Å²	72	50.9 Å²	50.9	34%	0.336	31%	0.309	S	S	.	.	H	α-helix	trans	-62.8	-32.5	178.9	-64	164.3	126	0	0	111.9	H209 S210 A217 K224	H209-E213 HydrophobicContact CB-CB 4.46Å; S210-E213 VanDerWaalsContact CB-OE2 3.3Å; S210-E213 WeakPolarHBondContact CB-OE2 3.3Å; S210-E213 PolarHBondContact N-OE2 2.65Å; S210-E213 PolarHBondContact O-N 2.91Å; S210-E213 VanDerWaalsContact O-N 3.15Å; S210-E213 VanDerWaalsContact OG-CG 3.29Å; S210-E213 WeakPolarHBondContact OG-CG 3.42Å; S210-E213 PolarHBondContact OG-OE2 3.29Å; E213-A217 WeakPolarHBondContact O-CB 3.37Å; E213-A217 PolarHBondContact O-N 2.86Å; E213-K224 WeakPolarHBondContact OE1-CE 3.39Å; E213-K224 IonicContact OE1-NZ 2.84Å; E213-K224 PolarHBondContact OE1-NZ 2.88Å; E213-K224 WeakPolarHBondContact OE2-CE 3.27Å; E213-K224 IonicContact OE2-NZ 2.81Å; E213-K224 PolarHBondContact OE2-NZ 2.99Å
214	C	89.8	Confident	85.1	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-64.5	-41.6	175.1	177.5	0	0	0	0	111.9	H209 S210 M211 K212 C218 V238 Y240 C245	H209-C214 HydrophobicContact CB-CB 4.13Å; S210-C214 WeakPolarHBondContact O-CB 3.32Å; S210-C214 PolarHBondContact O-N 3.16Å; M211-C214 WeakPolarHBondContact O-CB 3.18Å; K212-C214 PolarHBondContact O-N 2.84Å; C214-C218 PolarHBondContact O-N 2.83Å; C214-V238 WeakPolarHBondContact SG-CG1 3.4Å; C214-Y240 HydrophobicContact CB-CD2 4.13Å; C214-Y240 HydrophobicContact CB-CE2 4.44Å; C214-C245 HydrophobicContact CB-CB 3.78Å; C214-C245 WeakPolarHBondContact CB-SG 3.47Å; C214-C245 WeakPolarHBondContact SG-CB 3.41Å; C214-C245 CovalentContact SG-SG 2.02Å; C214-C245 PolarHBondContact SG-SG 2.79Å
215	A	88	Confident	85	Confident	3 Å²	3	58.8 Å²	58.8	3%	0.025	34%	0.336	C	S	.	.	H	α-helix	trans	-74.2	-39.4	174.2	0	0	0	0	0	112.5	I189 M211 K212 A217 C218 V219 M267	I189-A215 HydrophobicContact CD1-CB 3.68Å; I189-A215 HydrophobicContact CG1-CB 4.28Å; I189-A215 HydrophobicContact CG2-CB 4.37Å; M211-A215 PolarHBondContact O-N 3.08Å; M211-A215 VanDerWaalsContact O-N 3.15Å; K212-A215 PolarHBondContact O-N 2.85Å; K212-A215 VanDerWaalsContact O-N 3.15Å; A215-A217 VanDerWaalsContact C-N 3.33Å; A215-A217 PolarHBondContact O-N 3.46Å; A215-C218 WeakPolarHBondContact O-CB 3.3Å; A215-C218 PolarHBondContact O-N 2.91Å; A215-V219 WeakPolarHBondContact O-CG2 3.42Å; A215-V219 PolarHBondContact O-N 3.1Å; A215-M267 HydrophobicContact CB-CE 4.18Å; A215-M267 HydrophobicContact CB-SD 4.1Å
216	E	86.4	Confident	84.7	Confident	93 Å²	93	58 Å²	58	44%	0.435	33%	0.334	S	S	.	.	H	α-helix	trans	-62.8	-37.7	174.3	-71.8	172.8	156.5	0	0	111.9	K212 V219 S220	K212-E216 WeakPolarHBondContact CE-OE1 3.44Å; K212-E216 HydrophobicContact CG-CG 4.36Å; K212-E216 IonicContact NZ-OE1 3.73Å; K212-E216 WeakPolarHBondContact O-CG 3.4Å; K212-E216 PolarHBondContact O-N 3.35Å; E216-V219 PolarHBondContact O-N 3.23Å; E216-S220 WeakPolarHBondContact O-CB 3.15Å; E216-S220 PolarHBondContact O-N 2.87Å; E216-S220 PolarHBondContact O-OG 2.67Å
217	A	88.2	Confident	84.7	Confident	6 Å²	6	61.3 Å²	61.3	5%	0.05	35%	0.352	C	S	.	.	H	α-helix	trans	-61.2	-43.6	172.3	0	0	0	0	0	112.1	L206 E213 A215 S220 N221 K222	L206-A217 HydrophobicContact CD1-CB 4.2Å; E213-A217 WeakPolarHBondContact O-CB 3.37Å; E213-A217 PolarHBondContact O-N 2.86Å; A215-A217 VanDerWaalsContact C-N 3.33Å; A215-A217 PolarHBondContact O-N 3.46Å; A217-S220 PolarHBondContact O-OG 3.22Å; A217-N221 CarbonylContact O-C 3.5Å; A217-N221 VanDerWaalsContact O-CA 3.3Å; A217-N221 WeakPolarHBondContact O-CA 3.28Å; A217-N221 PolarHBondContact O-N 2.79Å; A217-K222 CarbonylContact C-O 3.17Å; A217-K222 WeakPolarHBondContact CA-O 3.42Å; A217-K222 WeakPolarHBondContact CB-O 3.04Å; A217-K222 PolarHBondContact O-N 3.44Å
218	C	90.3	Very high	85	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-63.5	-49.6	175.3	-170.3	0	0	0	0	111.9	C214 A215 S220 N221 C235 V238 I269	C214-C218 PolarHBondContact O-N 2.83Å; A215-C218 WeakPolarHBondContact O-CB 3.3Å; A215-C218 PolarHBondContact O-N 2.91Å; C218-S220 PolarHBondContact O-N 2.87Å; C218-N221 PolarHBondContact O-N 3.03Å; C218-N221 VanDerWaalsContact O-N 3.1Å; C218-C235 VanDerWaalsContact CA-SG 3.56Å; C218-C235 HydrophobicContact CB-CB 3.89Å; C218-C235 WeakPolarHBondContact CB-SG 3.01Å; C218-C235 VanDerWaalsContact SG-C 3.58Å; C218-C235 WeakPolarHBondContact SG-CB 3.3Å; C218-C235 PolarHBondContact SG-O 2.03Å; C218-C235 CovalentContact SG-SG 2.03Å; C218-C235 PolarHBondContact SG-SG 3.46Å; C218-V238 HydrophobicContact CB-CG2 3.51Å; C218-V238 WeakPolarHBondContact SG-CG2 3.22Å; C218-I269 HydrophobicContact CB-CD1 4.09Å; C218-I269 WeakPolarHBondContact SG-CD1 3.43Å
219	V	88.3	Confident	85.3	Confident	50 Å²	50	57.2 Å²	57.2	30%	0.303	32%	0.316	S	S	.	.	H	α-helix	trans	-62.6	-39.1	179.5	173	0	0	0	0	112.7	P187 I189 A215 E216 N221 I269	P187-V219 HydrophobicContact CB-CG1 4.46Å; P187-V219 HydrophobicContact CG-CG1 4Å; I189-V219 HydrophobicContact CD1-CG2 3.82Å; I189-V219 HydrophobicContact CG1-CG2 3.67Å; A215-V219 WeakPolarHBondContact O-CG2 3.42Å; A215-V219 PolarHBondContact O-N 3.1Å; E216-V219 PolarHBondContact O-N 3.23Å; V219-N221 VanDerWaalsContact C-N 3.29Å; V219-I269 HydrophobicContact CB-CD1 4.31Å; V219-I269 HydrophobicContact CG2-CD1 3.51Å; V219-I269 HydrophobicContact CG2-CG1 4.15Å
220	S	86.8	Confident	85.3	Confident	65 Å²	65	62 Å²	62	46%	0.455	35%	0.351	S	S	.	.	H	α-helix	trans	-83.8	-4.9	177.1	62.1	0	0	0	0	113.8	E216 A217 C218 K222	E216-S220 WeakPolarHBondContact O-CB 3.15Å; E216-S220 PolarHBondContact O-N 2.87Å; E216-S220 PolarHBondContact O-OG 2.67Å; A217-S220 PolarHBondContact O-OG 3.22Å; C218-S220 PolarHBondContact O-N 2.87Å; S220-K222 WeakPolarHBondContact O-CG 3.45Å; S220-K222 PolarHBondContact O-N 2.85Å
221	N	87.5	Confident	85	Confident	45 Å²	45	61 Å²	61	24%	0.241	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	32.9	-171.3	-157	48.9	0	0	0	114.2	A217 C218 V219 A228 L229 C235	A217-N221 CarbonylContact O-C 3.5Å; A217-N221 VanDerWaalsContact O-CA 3.3Å; A217-N221 WeakPolarHBondContact O-CA 3.28Å; A217-N221 PolarHBondContact O-N 2.79Å; C218-N221 PolarHBondContact O-N 3.03Å; C218-N221 VanDerWaalsContact O-N 3.1Å; V219-N221 VanDerWaalsContact C-N 3.29Å; N221-A228 WeakPolarHBondContact O-CA 3.07Å; N221-L229 PolarHBondContact O-N 3.26Å; N221-C235 PolarHBondContact OD1-N 2.98Å; N221-C235 VanDerWaalsContact OD1-N 3.13Å
222	K	86.7	Confident	84.5	Confident	100 Å²	100	61.4 Å²	61.4	44%	0.435	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	-135.7	152.4	-176.1	-70.4	171.2	-172.7	177.6	0	112.5	A217 S220 N227	A217-K222 CarbonylContact C-O 3.17Å; A217-K222 WeakPolarHBondContact CA-O 3.42Å; A217-K222 WeakPolarHBondContact CB-O 3.04Å; A217-K222 PolarHBondContact O-N 3.44Å; S220-K222 WeakPolarHBondContact O-CG 3.45Å; S220-K222 PolarHBondContact O-N 2.85Å; K222-N227 CarbonylContact C-O 3.56Å; K222-N227 WeakPolarHBondContact CA-O 3.3Å
223	D	82.5	Confident	84.3	Confident	42 Å²	42	61.6 Å²	61.6	23%	0.225	37%	0.365	C	S	.	.			trans	-81.6	178.2	169.1	68.1	22.7	0	0	0	112.7	D225 G226 N227 L229	D223-D225 PolarHBondContact O-N 3.04Å; D223-D225 WeakPolarHBondContact OD1-CA 3.45Å; D223-D225 PolarHBondContact OD1-N 2.93Å; D223-G226 PolarHBondContact O-N 2.94Å; D223-G226 VanDerWaalsContact O-N 3.07Å; D223-G226 PolarHBondContact OD1-N 2.84Å; D223-N227 PolarHBondContact N-O 2.65Å; D223-N227 PolarHBondContact OD1-N 2.84Å; D223-N227 PolarHBondContact OD1-ND2 3.4Å; D223-N227 WeakPolarHBondContact OD2-CB 3.34Å; D223-N227 PolarHBondContact OD2-ND2 3.08Å; D223-L229 HydrophobicContact CB-CD2 4.46Å
224	K	78.6	Confident	84.2	Confident	98 Å²	98	60.7 Å²	60.7	43%	0.426	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-25.9	176.7	-84.7	178.9	178.5	-161.3	0	114.9	G208 E213 G226	G208-K224 PolarHBondContact O-NZ 3.41Å; E213-K224 WeakPolarHBondContact OE1-CE 3.39Å; E213-K224 IonicContact OE1-NZ 2.84Å; E213-K224 PolarHBondContact OE1-NZ 2.88Å; E213-K224 WeakPolarHBondContact OE2-CE 3.27Å; E213-K224 IonicContact OE2-NZ 2.81Å; E213-K224 PolarHBondContact OE2-NZ 2.99Å; K224-G226 VanDerWaalsContact C-N 3.34Å
225	D	80.5	Confident	84.2	Confident	144 Å²	144	60.7 Å²	60.7	77%	0.77	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-5.4	179.4	-61.2	-57.1	0	0	0	111.6	D223	D223-D225 PolarHBondContact O-N 3.04Å; D223-D225 WeakPolarHBondContact OD1-CA 3.45Å; D223-D225 PolarHBondContact OD1-N 2.93Å
226	G	79.3	Confident	84.3	Confident	45 Å²	45	61.5 Å²	61.5	46%	0.464	37%	0.373	S	S	.	.	S	Bend	trans	93.1	3.3	176.6	0	0	0	0	0	114.8	D223 K224	D223-G226 PolarHBondContact O-N 2.94Å; D223-G226 VanDerWaalsContact O-N 3.07Å; D223-G226 PolarHBondContact OD1-N 2.84Å; K224-G226 VanDerWaalsContact C-N 3.34Å
227	N	83.7	Confident	84.6	Confident	92 Å²	92	57.1 Å²	57.1	49%	0.492	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-74	149.7	177.4	-43.2	-74.7	0	0	0	110.4	K222 D223	K222-N227 CarbonylContact C-O 3.56Å; K222-N227 WeakPolarHBondContact CA-O 3.3Å; D223-N227 PolarHBondContact N-O 2.65Å; D223-N227 PolarHBondContact OD1-N 2.84Å; D223-N227 PolarHBondContact OD1-ND2 3.4Å; D223-N227 WeakPolarHBondContact OD2-CB 3.34Å; D223-N227 PolarHBondContact OD2-ND2 3.08Å
228	A	83.2	Confident	84.8	Confident	73 Å²	73	57 Å²	57	60%	0.603	35%	0.35	S	S	*	.	B	Isolated β-bridge	trans	-68.2	140	175.7	0	0	0	0	0	111.9	N221 S230	N221-A228 WeakPolarHBondContact O-CA 3.07Å; A228-S230 PolarHBondContact O-N 3.34Å
229	L	84.4	Confident	84.9	Confident	16 Å²	16	57.1 Å²	57.1	8%	0.084	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-62	130.6	178.3	-65.7	178.3	0	0	0	111.4	L206 N221 D223 L231 C235 V247	L206-L229 HydrophobicContact CD1-CD2 3.89Å; L206-L229 HydrophobicContact CD2-CD2 3.96Å; N221-L229 PolarHBondContact O-N 3.26Å; D223-L229 HydrophobicContact CB-CD2 4.46Å; L229-L231 HydrophobicContact CB-CD1 4.11Å; L229-L231 HydrophobicContact CB-CG 4.23Å; L229-L231 HydrophobicContact CD1-CD1 4.2Å; L229-L231 PolarHBondContact O-N 3.19Å; L229-C235 HydrophobicContact CD1-CB 3.92Å; L229-V247 HydrophobicContact CD1-CG2 4.38Å
230	S	80.7	Confident	85	Confident	116 Å²	116	56.5 Å²	56.5	81%	0.811	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	63	179.9	-68.4	0	0	0	0	112.2	A228	A228-S230 PolarHBondContact O-N 3.34Å
231	L	80.1	Confident	85.1	Confident	28 Å²	28	56.4 Å²	56.4	15%	0.147	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-10.3	-178.6	-68.8	174.9	0	0	0	113.6	L229 Q233 C235 V247	L229-L231 HydrophobicContact CB-CD1 4.11Å; L229-L231 HydrophobicContact CB-CG 4.23Å; L229-L231 HydrophobicContact CD1-CD1 4.2Å; L229-L231 PolarHBondContact O-N 3.19Å; L231-Q233 VanDerWaalsContact CB-O 3.31Å; L231-Q233 WeakPolarHBondContact CB-O 3.41Å; L231-Q233 PolarHBondContact O-N 2.8Å; L231-C235 HydrophobicContact CD1-CB 3.68Å; L231-V247 HydrophobicContact CD1-CB 4.25Å; L231-V247 HydrophobicContact CD1-CG2 4.03Å; L231-V247 HydrophobicContact CD2-CG2 4.35Å; L231-V247 HydrophobicContact CG-CG2 4.46Å
232	G	76.1	Confident	84.9	Confident	73 Å²	73	59.4 Å²	59.4	75%	0.753	36%	0.361	S	S	*	.	S	Bend	trans	69	-11.9	-178.9	0	0	0	0	0	115.7
233	Q	81.9	Confident	84.6	Confident	132 Å²	132	56.5 Å²	56.5	62%	0.617	36%	0.359	S	S	*	.	S	Bend	trans	-145.2	159.9	175.5	-74.1	-62.4	-86	0	0	107.1	L231	L231-Q233 VanDerWaalsContact CB-O 3.31Å; L231-Q233 WeakPolarHBondContact CB-O 3.41Å; L231-Q233 PolarHBondContact O-N 2.8Å
234	P	85	Confident	84.9	Confident	54 Å²	54	58.2 Å²	58.2	35%	0.351	37%	0.366	S	S	.	.			trans	-58.9	150.5	177.2	24.6	-34.9	0	0	0	112.7	M180 A236 S249	M180-P234 HydrophobicContact CG-CB 3.66Å; M180-P234 HydrophobicContact CG-CG 4.09Å; M180-P234 HydrophobicContact SD-CB 3.77Å; P234-A236 PolarHBondContact O-N 2.58Å; P234-S249 WeakPolarHBondContact O-CA 3.49Å; P234-S249 WeakPolarHBondContact O-CB 3.44Å
235	C	89.8	Confident	85.4	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	35%	0.345	C	S	.	.			trans	-69	119.1	178.8	-177.7	0	0	0	0	112	C218 N221 L229 L231	C218-C235 VanDerWaalsContact CA-SG 3.56Å; C218-C235 HydrophobicContact CB-CB 3.89Å; C218-C235 WeakPolarHBondContact CB-SG 3.01Å; C218-C235 VanDerWaalsContact SG-C 3.58Å; C218-C235 WeakPolarHBondContact SG-CB 3.3Å; C218-C235 PolarHBondContact SG-O 2.03Å; C218-C235 CovalentContact SG-SG 2.03Å; C218-C235 PolarHBondContact SG-SG 3.46Å; N221-C235 PolarHBondContact OD1-N 2.98Å; N221-C235 VanDerWaalsContact OD1-N 3.13Å; L229-C235 HydrophobicContact CD1-CB 3.92Å; L231-C235 HydrophobicContact CD1-CB 3.68Å
236	A	90.3	Very high	86	Confident	20 Å²	20	50.2 Å²	50.2	17%	0.165	32%	0.322	C	S	.	.			trans	-103.1	-26.9	-178	0	0	0	0	0	113.3	P234 S248 K251 M268 I269	P234-A236 PolarHBondContact O-N 2.58Å; A236-S248 PolarHBondContact N-O 3.09Å; A236-K251 HydrophobicContact CB-CB 4.27Å; A236-K251 HydrophobicContact CB-CG 4.35Å; A236-M268 WeakPolarHBondContact O-CA 3.37Å; A236-I269 PolarHBondContact O-N 3.4Å
237	A	92.2	Very high	86.5	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	163	179.2	0	0	0	0	0	113.5	V200 S248 K251 Y266 M267 M268	V200-A237 HydrophobicContact CG2-CB 3.78Å; A237-S248 PolarHBondContact N-O 2.93Å; A237-S248 PolarHBondContact O-N 2.84Å; A237-K251 HydrophobicContact CB-CB 3.79Å; A237-Y266 HydrophobicContact CB-CE2 3.97Å; A237-M267 CarbonylContact C-O 3.5Å; A237-M267 VanDerWaalsContact CA-O 3.3Å; A237-M267 WeakPolarHBondContact CA-O 3.38Å; A237-M267 WeakPolarHBondContact CB-O 3.42Å; A237-M268 HydrophobicContact CB-CB 4.16Å
238	V	92	Very high	86.9	Confident	3 Å²	3	44.4 Å²	44.4	2%	0.018	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	143.2	-170.3	-170.8	0	0	0	0	108.9	C214 C218 R246 V247 Y266 M267	C214-V238 WeakPolarHBondContact SG-CG1 3.4Å; C218-V238 HydrophobicContact CB-CG2 3.51Å; C218-V238 WeakPolarHBondContact SG-CG2 3.22Å; V238-R246 CarbonylContact C-O 3.59Å; V238-R246 VanDerWaalsContact CA-O 3.27Å; V238-R246 WeakPolarHBondContact CA-O 3.38Å; V238-R246 WeakPolarHBondContact CG1-O 3.49Å; V238-V247 HydrophobicContact CG1-CG1 4.22Å; V238-V247 HydrophobicContact CG2-CG1 4.24Å; V238-Y266 CarbonylContact O-C 3.54Å; V238-M267 HydrophobicContact CB-CB 4.26Å; V238-M267 HydrophobicContact CB-CE 4.14Å; V238-M267 HydrophobicContact CG1-CE 3.78Å; V238-M267 PolarHBondContact N-O 2.91Å; V238-M267 PolarHBondContact O-N 3.49Å; V238-M267 VanDerWaalsContact O-O 3.12Å
239	V	92.8	Very high	87.1	Confident	3 Å²	3	43 Å²	43	2%	0.018	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	128.5	162.5	168.6	0	0	0	0	107.9	V200 R246 Y266	V200-V239 HydrophobicContact CB-CG2 3.84Å; V200-V239 HydrophobicContact CG1-CB 4.13Å; V200-V239 HydrophobicContact CG1-CG2 3.7Å; V239-R246 PolarHBondContact N-O 2.69Å; V239-R246 PolarHBondContact O-N 2.86Å; V239-Y266 HydrophobicContact CG2-CD2 3.91Å
240	Y	90.8	Very high	87.2	Confident	38 Å²	38	50 Å²	50	15%	0.149	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	121	171.6	-165.5	-99.8	0	0	0	109.6	H209 S210 M211 C214 E244 C245 S264 T265	H209-Y240 VanDerWaalsContact O-CE2 3.29Å; H209-Y240 WeakPolarHBondContact O-CE2 3.45Å; H209-Y240 PolarHBondContact O-OH 3.23Å; H209-Y240 VanDerWaalsContact O-OH 3.09Å; S210-Y240 WeakPolarHBondContact CA-OH 3.48Å; M211-Y240 HydrophobicContact CB-CD1 3.78Å; M211-Y240 HydrophobicContact CB-CD2 4.37Å; M211-Y240 HydrophobicContact CB-CE1 3.86Å; M211-Y240 HydrophobicContact CB-CE2 4.46Å; M211-Y240 HydrophobicContact CB-CG 4.02Å; M211-Y240 HydrophobicContact CE-CD1 3.59Å; M211-Y240 HydrophobicContact CE-CE1 4.3Å; M211-Y240 HydrophobicContact CE-CG 4.31Å; M211-Y240 HydrophobicContact CG-CD1 4.12Å; M211-Y240 HydrophobicContact CG-CG 4.17Å; C214-Y240 HydrophobicContact CB-CD2 4.13Å; C214-Y240 HydrophobicContact CB-CE2 4.44Å; Y240-E244 WeakPolarHBondContact CA-O 3.19Å; Y240-E244 WeakPolarHBondContact CD2-O 3.36Å; Y240-C245 HydrophobicContact CD2-CB 4.05Å; Y240-C245 HydrophobicContact CE2-CB 4.28Å; Y240-S264 CarbonylContact O-C 3.48Å; Y240-S264 WeakPolarHBondContact O-CA 3.49Å; Y240-T265 PolarHBondContact N-O 3.14Å; Y240-T265 PolarHBondContact O-N 2.99Å
241	Q	89	Confident	87.6	Confident	62 Å²	62	48 Å²	48	29%	0.29	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	125.5	-177.4	-171.7	-175.2	21.2	0	0	110	G243 E244 N261	Q241-G243 PolarHBondContact O-N 2.82Å; Q241-E244 PolarHBondContact N-O 2.94Å; Q241-E244 PolarHBondContact O-N 2.73Å; Q241-N261 PolarHBondContact NE2-ND2 3.29Å
242	S	82.2	Confident	88	Confident	109 Å²	109	47.5 Å²	47.5	76%	0.762	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	25.4	172.6	-58.6	0	0	0	0	116.8
243	G	82.3	Confident	88.1	Confident	39 Å²	39	52 Å²	52	40%	0.402	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.7	-5.3	-177	0	0	0	0	0	115.3	Q241	Q241-G243 PolarHBondContact O-N 2.82Å
244	E	87.5	Confident	88.1	Confident	77 Å²	77	52.2 Å²	52.2	36%	0.36	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	137	170.6	-161.2	-176.5	157.7	0	0	110.7	Y240 Q241 R246	Y240-E244 WeakPolarHBondContact CA-O 3.19Å; Y240-E244 WeakPolarHBondContact CD2-O 3.36Å; Q241-E244 PolarHBondContact N-O 2.94Å; Q241-E244 PolarHBondContact O-N 2.73Å; E244-R246 IonicContact OE1-CZ 3.21Å; E244-R246 IonicContact OE1-NE 2.73Å; E244-R246 PolarHBondContact OE1-NE 3.33Å; E244-R246 IonicContact OE1-NH2 2.86Å; E244-R246 PolarHBondContact OE1-NH2 3.39Å; E244-R246 IonicContact OE2-CZ 3.67Å; E244-R246 IonicContact OE2-NE 3.83Å; E244-R246 IonicContact OE2-NH2 2.8Å; E244-R246 PolarHBondContact OE2-NH2 3.33Å
245	C	90.2	Very high	88.1	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	126.8	174.9	173.7	0	0	0	0	108.7	A205 L206 H209 C214 Y240	A205-C245 CarbonylContact C-O 3.49Å; A205-C245 WeakPolarHBondContact CA-O 3.44Å; L206-C245 HydrophobicContact CB-CB 4.11Å; L206-C245 PolarHBondContact N-O 2.62Å; L206-C245 WeakPolarHBondContact O-CB 3.47Å; H209-C245 HydrophobicContact CB-CB 4.22Å; C214-C245 HydrophobicContact CB-CB 3.78Å; C214-C245 WeakPolarHBondContact CB-SG 3.47Å; C214-C245 WeakPolarHBondContact SG-CB 3.41Å; C214-C245 CovalentContact SG-SG 2.02Å; C214-C245 PolarHBondContact SG-SG 2.79Å; Y240-C245 HydrophobicContact CD2-CB 4.05Å; Y240-C245 HydrophobicContact CE2-CB 4.28Å
246	R	91.7	Very high	87.5	Confident	75 Å²	75	52.5 Å²	52.5	28%	0.283	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	131.7	172	-64.2	-171.6	-176.8	153.5	13.3	110.2	S201 S204 A205 V238 V239 E244	S201-R246 VanDerWaalsContact O-CD 3.23Å; S201-R246 WeakPolarHBondContact O-CD 3.42Å; S201-R246 PolarHBondContact O-NH1 2.92Å; S204-R246 WeakPolarHBondContact O-CA 3.37Å; A205-R246 HydrophobicContact CB-CG 4.24Å; V238-R246 CarbonylContact C-O 3.59Å; V238-R246 VanDerWaalsContact CA-O 3.27Å; V238-R246 WeakPolarHBondContact CA-O 3.38Å; V238-R246 WeakPolarHBondContact CG1-O 3.49Å; V239-R246 PolarHBondContact N-O 2.69Å; V239-R246 PolarHBondContact O-N 2.86Å; E244-R246 IonicContact OE1-CZ 3.21Å; E244-R246 IonicContact OE1-NE 2.73Å; E244-R246 PolarHBondContact OE1-NE 3.33Å; E244-R246 IonicContact OE1-NH2 2.86Å; E244-R246 PolarHBondContact OE1-NH2 3.39Å; E244-R246 IonicContact OE2-CZ 3.67Å; E244-R246 IonicContact OE2-NE 3.83Å; E244-R246 IonicContact OE2-NH2 2.8Å; E244-R246 PolarHBondContact OE2-NH2 3.33Å
247	V	90.7	Very high	87.2	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.006	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	149.6	-174.7	-66.4	0	0	0	0	112	G203 S204 L206 L229 L231 V238	G203-V247 WeakPolarHBondContact CA-O 3.28Å; S204-V247 PolarHBondContact N-O 3Å; S204-V247 WeakPolarHBondContact O-CG2 3.22Å; S204-V247 PolarHBondContact O-N 3.24Å; L206-V247 HydrophobicContact CD1-CG1 3.84Å; L206-V247 HydrophobicContact CD1-CG2 4.1Å; L206-V247 HydrophobicContact CG-CG1 4.5Å; L206-V247 HydrophobicContact CG-CG2 4.17Å; L229-V247 HydrophobicContact CD1-CG2 4.38Å; L231-V247 HydrophobicContact CD1-CB 4.25Å; L231-V247 HydrophobicContact CD1-CG2 4.03Å; L231-V247 HydrophobicContact CD2-CG2 4.35Å; L231-V247 HydrophobicContact CG-CG2 4.46Å; V238-V247 HydrophobicContact CG1-CG1 4.22Å; V238-V247 HydrophobicContact CG2-CG1 4.24Å
248	S	90.9	Very high	86.9	Confident	14 Å²	14	55.8 Å²	55.8	10%	0.098	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	142.2	-172.5	173	0	0	0	0	111.7	A236 A237 K250	A236-S248 PolarHBondContact N-O 3.09Å; A237-S248 PolarHBondContact N-O 2.93Å; A237-S248 PolarHBondContact O-N 2.84Å; S248-K250 PolarHBondContact O-N 2.79Å; S248-K250 PolarHBondContact OG-N 2.93Å; S248-K250 PolarHBondContact OG-O 2.9Å
249	S	88.5	Confident	86.7	Confident	44 Å²	44	63.4 Å²	63.4	31%	0.308	33%	0.326	S	S	.	.	S	Bend	trans	-82.2	4.5	168.6	48.1	0	0	0	0	113.9	P234	P234-S249 WeakPolarHBondContact O-CA 3.49Å; P234-S249 WeakPolarHBondContact O-CB 3.44Å
250	K	87.1	Confident	86.3	Confident	162 Å²	162	67.5 Å²	67.5	70%	0.704	36%	0.355	S	S	*	.			trans	-119.1	134.2	173.2	-60.6	179.3	-177.3	177.3	0	110.4	V200 S248	V200-K250 WeakPolarHBondContact CG2-O 3.39Å; S248-K250 PolarHBondContact O-N 2.79Å; S248-K250 PolarHBondContact OG-N 2.93Å; S248-K250 PolarHBondContact OG-O 2.9Å
251	K	88.9	Confident	86.2	Confident	75 Å²	75	66.9 Å²	66.9	33%	0.326	35%	0.354	S	S	.	.			trans	-114.5	164.5	169.4	65.2	176.5	175.6	177.6	0	110.5	A236 A237 Y266 M268 I269 E270	A236-K251 HydrophobicContact CB-CB 4.27Å; A236-K251 HydrophobicContact CB-CG 4.35Å; A237-K251 HydrophobicContact CB-CB 3.79Å; K251-Y266 WeakPolarHBondContact CA-OH 3.22Å; K251-Y266 WeakPolarHBondContact CB-OH 3.3Å; K251-M268 HydrophobicContact CB-CB 4.19Å; K251-M268 HydrophobicContact CD-CB 4.34Å; K251-M268 HydrophobicContact CD-SD 4.42Å; K251-I269 PolarHBondContact NZ-O 2.87Å; K251-E270 IonicContact NZ-OE1 3.46Å; K251-E270 PolarHBondContact NZ-OE1 3.29Å; K251-E270 IonicContact NZ-OE2 2.73Å; K251-E270 PolarHBondContact NZ-OE2 3.14Å
252	V	87.5	Confident	86	Confident	17 Å²	17	69 Å²	69	10%	0.103	37%	0.374	C	S	.	.			trans	-77.2	145.6	172.5	-58.2	0	0	0	0	112	D197 R254 L258 Y266	D197-V252 HydrophobicContact CB-CG1 3.95Å; V252-R254 VanDerWaalsContact C-N 3.32Å; V252-R254 WeakPolarHBondContact CG2-O 3.3Å; V252-R254 PolarHBondContact O-N 2.87Å; V252-L258 HydrophobicContact CB-CD2 4.5Å; V252-L258 HydrophobicContact CG1-CD2 3.8Å; V252-L258 HydrophobicContact CG2-CD2 3.88Å; V252-L258 HydrophobicContact CG2-CG 4.1Å; V252-Y266 HydrophobicContact CG2-CE1 4.27Å; V252-Y266 PolarHBondContact N-OH 3.31Å; V252-Y266 VanDerWaalsContact N-OH 3.09Å
253	D	79.4	Confident	86.2	Confident	166 Å²	166	69.4 Å²	69.4	89%	0.888	37%	0.367	S	S	*	.	S	Bend	trans	-74.4	-19.9	178.2	-57.4	-56.3	0	0	0	113.8
254	R	81.2	Confident	86.6	Confident	137 Å²	137	67.7 Å²	67.7	52%	0.517	35%	0.349	S	S	.	.	S	Bend	trans	-150.1	134	177.8	-61.4	-175.9	-178.3	-169.9	-4	109.1	V252 S256 S257 Y330	V252-R254 VanDerWaalsContact C-N 3.32Å; V252-R254 WeakPolarHBondContact CG2-O 3.3Å; V252-R254 PolarHBondContact O-N 2.87Å; R254-S256 PolarHBondContact O-N 2.77Å; R254-S256 VanDerWaalsContact O-N 3.08Å; R254-S257 PolarHBondContact O-N 2.78Å; R254-S257 VanDerWaalsContact O-N 3.15Å; R254-S257 PolarHBondContact O-OG 2.95Å; R254-Y330 HydrophobicContact CB-CE1 4.47Å; R254-Y330 HydrophobicContact CG-CE1 4.26Å
255	V	84.1	Confident	86.7	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.006	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-65.8	-13.7	178.5	-65.2	0	0	0	0	113.7	V192 S257 L258 M268 Y286 P288 V359	V192-V255 HydrophobicContact CG2-CG1 3.98Å; V255-S257 VanDerWaalsContact C-N 3.26Å; V255-S257 PolarHBondContact O-N 3.2Å; V255-L258 HydrophobicContact CB-CD1 3.94Å; V255-L258 HydrophobicContact CG1-CD1 4.13Å; V255-L258 WeakPolarHBondContact O-CB 3.49Å; V255-L258 WeakPolarHBondContact O-CG 3.43Å; V255-L258 PolarHBondContact O-N 3.23Å; V255-M268 HydrophobicContact CG1-CE 4.09Å; V255-Y286 HydrophobicContact CG1-CD2 3.95Å; V255-Y286 HydrophobicContact CG2-CD2 4.26Å; V255-P288 HydrophobicContact CB-CG 4.15Å; V255-P288 HydrophobicContact CG2-CG 3.96Å; V255-V359 HydrophobicContact CG2-CB 4.2Å; V255-V359 HydrophobicContact CG2-CG2 3.67Å
256	S	77.7	Confident	86.8	Confident	59 Å²	59	64.9 Å²	64.9	41%	0.413	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-72.6	-7.5	173.5	51.2	0	0	0	0	115.2	R254	R254-S256 PolarHBondContact O-N 2.77Å; R254-S256 VanDerWaalsContact O-N 3.08Å
257	S	83.8	Confident	86.9	Confident	76 Å²	76	61.4 Å²	61.4	53%	0.531	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-89.2	-11.9	170.4	68.7	0	0	0	0	114.1	R254 V255	R254-S257 PolarHBondContact O-N 2.78Å; R254-S257 VanDerWaalsContact O-N 3.15Å; R254-S257 PolarHBondContact O-OG 2.95Å; V255-S257 VanDerWaalsContact C-N 3.26Å; V255-S257 PolarHBondContact O-N 3.2Å
258	L	86.7	Confident	87	Confident	14 Å²	14	61.7 Å²	61.7	7%	0.073	33%	0.326	C	S	.	.	S	Bend	trans	-64.7	148.9	178.7	-62	171.5	0	0	0	111.3	V192 Y195 E196 D197 V252 V255 Y266	V192-L258 HydrophobicContact CB-CD1 4.12Å; V192-L258 HydrophobicContact CG1-CD1 3.88Å; V192-L258 HydrophobicContact CG2-CD1 4.16Å; Y195-L258 HydrophobicContact CD1-CB 3.73Å; Y195-L258 HydrophobicContact CG-CB 4.29Å; E196-L258 WeakPolarHBondContact O-CA 3.35Å; D197-L258 HydrophobicContact CB-CD2 3.79Å; V252-L258 HydrophobicContact CB-CD2 4.5Å; V252-L258 HydrophobicContact CG1-CD2 3.8Å; V252-L258 HydrophobicContact CG2-CD2 3.88Å; V252-L258 HydrophobicContact CG2-CG 4.1Å; V255-L258 HydrophobicContact CB-CD1 3.94Å; V255-L258 HydrophobicContact CG1-CD1 4.13Å; V255-L258 WeakPolarHBondContact O-CB 3.49Å; V255-L258 WeakPolarHBondContact O-CG 3.43Å; V255-L258 PolarHBondContact O-N 3.23Å; L258-Y266 HydrophobicContact CD1-CD1 3.71Å; L258-Y266 HydrophobicContact CD1-CE1 4.16Å; L258-Y266 HydrophobicContact CD1-CG 4.11Å; L258-Y266 HydrophobicContact CD2-CD1 3.99Å; L258-Y266 HydrophobicContact CD2-CD2 3.78Å; L258-Y266 HydrophobicContact CD2-CE1 4.12Å; L258-Y266 HydrophobicContact CD2-CE2 3.92Å; L258-Y266 HydrophobicContact CD2-CG 3.82Å
259	R	87.8	Confident	86.9	Confident	162 Å²	162	61.4 Å²	61.4	61%	0.611	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	140.5	172.3	-61.9	-169.3	179.2	-173.6	-1.2	109.4	Y195 E196 P198	Y195-R259 CarbonylContact C-O 3.59Å; Y195-R259 WeakPolarHBondContact CA-O 3.46Å; Y195-R259 WeakPolarHBondContact CD1-O 3.49Å; E196-R259 HydrophobicContact CG-CB 4.05Å; E196-R259 PolarHBondContact N-O 2.87Å; E196-R259 PolarHBondContact O-N 3.04Å; P198-R259 HydrophobicContact CG-CG 4.13Å
260	S	84.8	Confident	87	Confident	90 Å²	90	61 Å²	61	63%	0.629	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	128.2	172.9	-175.2	0	0	0	0	110.2	G194	G194-S260 CarbonylContact O-C 3.54Å; G194-S260 WeakPolarHBondContact O-CA 3.34Å; G194-S260 PolarHBondContact O-OG 3.04Å; G194-S260 VanDerWaalsContact O-OG 3.09Å
261	N	88.7	Confident	87.1	Confident	24 Å²	24	54.4 Å²	54.4	13%	0.128	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	106.9	174.8	169.9	1.6	0	0	0	106.2	G194 Y195 E196 Q241 D263 S264	G194-N261 CarbonylContact C-O 3.59Å; G194-N261 VanDerWaalsContact CA-O 3.24Å; G194-N261 WeakPolarHBondContact CA-O 3.41Å; G194-N261 CarbonylContact O-C 3.58Å; G194-N261 PolarHBondContact O-N 2.99Å; Y195-N261 PolarHBondContact N-O 3.02Å; E196-N261 HydrophobicContact CB-CB 4.45Å; E196-N261 HydrophobicContact CG-CB 3.91Å; E196-N261 PolarHBondContact OE2-ND2 2.79Å; Q241-N261 PolarHBondContact NE2-ND2 3.29Å; N261-D263 PolarHBondContact O-N 2.8Å; N261-D263 PolarHBondContact OD1-N 2.89Å; N261-S264 WeakPolarHBondContact CB-OG 3.42Å; N261-S264 PolarHBondContact ND2-OG 2.97Å; N261-S264 PolarHBondContact O-N 2.84Å; N261-S264 PolarHBondContact O-OG 2.99Å
262	P	84.2	Confident	87.2	Confident	108 Å²	108	50.9 Å²	50.9	70%	0.701	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	-21.2	-168.3	27.7	-35.7	0	0	0	113.8	S264	P262-S264 VanDerWaalsContact C-N 3.35Å
263	D	86.2	Confident	87.2	Confident	117 Å²	117	52.1 Å²	52.1	63%	0.626	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	5.4	-178.9	-59.6	-49.9	0	0	0	112.9	N261	N261-D263 PolarHBondContact O-N 2.8Å; N261-D263 PolarHBondContact OD1-N 2.89Å
264	S	90.2	Very high	87.5	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.014	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	150.3	178.7	70.3	0	0	0	0	113.6	G194 Y195 Y240 N261 P262	G194-S264 WeakPolarHBondContact CA-O 3.33Å; G194-S264 PolarHBondContact N-O 3.13Å; Y195-S264 VanDerWaalsContact C-OG 3.27Å; Y195-S264 PolarHBondContact N-O 2.93Å; Y195-S264 PolarHBondContact O-OG 3.17Å; Y240-S264 CarbonylContact O-C 3.48Å; Y240-S264 WeakPolarHBondContact O-CA 3.49Å; N261-S264 WeakPolarHBondContact CB-OG 3.42Å; N261-S264 PolarHBondContact ND2-OG 2.97Å; N261-S264 PolarHBondContact O-N 2.84Å; N261-S264 PolarHBondContact O-OG 2.99Å; P262-S264 VanDerWaalsContact C-N 3.35Å
265	T	90.8	Very high	87.7	Confident	18 Å²	18	50.8 Å²	50.8	11%	0.11	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	111	165.1	-57.8	0	0	0	0	108.5	E191 M211 Y240 M267	E191-T265 HydrophobicContact CB-CG2 4.39Å; M211-T265 HydrophobicContact CE-CG2 4.42Å; M211-T265 WeakPolarHBondContact CE-OG1 3.28Å; M211-T265 HydrophobicContact SD-CG2 4.5Å; Y240-T265 PolarHBondContact N-O 3.14Å; Y240-T265 PolarHBondContact O-N 2.99Å; T265-M267 HydrophobicContact CG2-CG 3.86Å
266	Y	92.9	Very high	87.7	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	137.9	162.9	175	-90.8	0	0	0	108.7	V192 Y195 D197 V200 A237 V238 V239 K251 V252 L258 M268	V192-Y266 HydrophobicContact CB-CD1 4.23Å; V192-Y266 HydrophobicContact CG2-CD1 3.87Å; V192-Y266 PolarHBondContact N-O 3.13Å; V192-Y266 PolarHBondContact O-N 2.89Å; Y195-Y266 WeakPolarHBondContact O-CB 3.02Å; Y195-Y266 PolarHBondContact O-N 3.34Å; D197-Y266 HydrophobicContact CB-CD2 3.95Å; D197-Y266 HydrophobicContact CB-CE2 3.78Å; V200-Y266 HydrophobicContact CB-CE2 4.49Å; V200-Y266 HydrophobicContact CG2-CE2 3.89Å; A237-Y266 HydrophobicContact CB-CE2 3.97Å; V238-Y266 CarbonylContact O-C 3.54Å; V239-Y266 HydrophobicContact CG2-CD2 3.91Å; K251-Y266 WeakPolarHBondContact CA-OH 3.22Å; K251-Y266 WeakPolarHBondContact CB-OH 3.3Å; V252-Y266 HydrophobicContact CG2-CE1 4.27Å; V252-Y266 PolarHBondContact N-OH 3.31Å; V252-Y266 VanDerWaalsContact N-OH 3.09Å; L258-Y266 HydrophobicContact CD1-CD1 3.71Å; L258-Y266 HydrophobicContact CD1-CE1 4.16Å; L258-Y266 HydrophobicContact CD1-CG 4.11Å; L258-Y266 HydrophobicContact CD2-CD1 3.99Å; L258-Y266 HydrophobicContact CD2-CD2 3.78Å; L258-Y266 HydrophobicContact CD2-CE1 4.12Å; L258-Y266 HydrophobicContact CD2-CE2 3.92Å; L258-Y266 HydrophobicContact CD2-CG 3.82Å; Y266-M268 HydrophobicContact CE1-CB 3.74Å; Y266-M268 HydrophobicContact CE1-CG 3.94Å; Y266-M268 HydrophobicContact CE1-SD 3.89Å
267	M	92.7	Very high	88.1	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	142.1	173.1	-54.3	177.5	-79.3	0	0	109.2	I189 V190 E191 M211 A215 A237 V238 T265	I189-M267 HydrophobicContact CG2-CB 4.12Å; I189-M267 HydrophobicContact CG2-SD 4.37Å; V190-M267 CarbonylContact O-C 3.55Å; V190-M267 WeakPolarHBondContact O-CA 3.33Å; E191-M267 HydrophobicContact CG-CG 4.11Å; E191-M267 HydrophobicContact CG-SD 4.18Å; M211-M267 HydrophobicContact CG-CE 3.96Å; M211-M267 HydrophobicContact CG-SD 4.07Å; A215-M267 HydrophobicContact CB-CE 4.18Å; A215-M267 HydrophobicContact CB-SD 4.1Å; A237-M267 CarbonylContact C-O 3.5Å; A237-M267 VanDerWaalsContact CA-O 3.3Å; A237-M267 WeakPolarHBondContact CA-O 3.38Å; A237-M267 WeakPolarHBondContact CB-O 3.42Å; V238-M267 HydrophobicContact CB-CB 4.26Å; V238-M267 HydrophobicContact CB-CE 4.14Å; V238-M267 HydrophobicContact CG1-CE 3.78Å; V238-M267 PolarHBondContact N-O 2.91Å; V238-M267 PolarHBondContact O-N 3.49Å; V238-M267 VanDerWaalsContact O-O 3.12Å; T265-M267 HydrophobicContact CG2-CG 3.86Å
268	M	92	Very high	87.9	Confident	8 Å²	8	49.8 Å²	49.8	4%	0.039	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	160.8	174.5	66.3	-176	-165.3	0	0	111.1	V190 A236 A237 K251 V255 Y266 E270 Y286	V190-M268 HydrophobicContact CB-CE 4.39Å; V190-M268 HydrophobicContact CB-CG 3.96Å; V190-M268 HydrophobicContact CG1-CE 4.19Å; V190-M268 HydrophobicContact CG1-CG 4.4Å; V190-M268 PolarHBondContact N-O 2.99Å; V190-M268 PolarHBondContact O-N 2.74Å; A236-M268 WeakPolarHBondContact O-CA 3.37Å; A237-M268 HydrophobicContact CB-CB 4.16Å; K251-M268 HydrophobicContact CB-CB 4.19Å; K251-M268 HydrophobicContact CD-CB 4.34Å; K251-M268 HydrophobicContact CD-SD 4.42Å; V255-M268 HydrophobicContact CG1-CE 4.09Å; Y266-M268 HydrophobicContact CE1-CB 3.74Å; Y266-M268 HydrophobicContact CE1-CG 3.94Å; Y266-M268 HydrophobicContact CE1-SD 3.89Å; M268-E270 HydrophobicContact CE-CG 4.3Å; M268-E270 WeakPolarHBondContact CE-OE1 3.42Å; M268-Y286 HydrophobicContact CE-CE2 3.99Å
269	I	90.6	Very high	87.2	Confident	8 Å²	8	52.3 Å²	52.3	4%	0.041	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	127.3	179.8	-55.8	167.4	0	0	0	109.9	M180 P187 K188 I189 C218 V219 A236 K251	M180-I269 HydrophobicContact CE-CB 3.65Å; M180-I269 HydrophobicContact CE-CD1 3.66Å; M180-I269 HydrophobicContact CE-CG1 4.24Å; M180-I269 HydrophobicContact CE-CG2 3.33Å; P187-I269 HydrophobicContact CB-CG2 3.56Å; K188-I269 WeakPolarHBondContact O-CA 3.47Å; I189-I269 HydrophobicContact CG1-CG1 4.38Å; C218-I269 HydrophobicContact CB-CD1 4.09Å; C218-I269 WeakPolarHBondContact SG-CD1 3.43Å; V219-I269 HydrophobicContact CB-CD1 4.31Å; V219-I269 HydrophobicContact CG2-CD1 3.51Å; V219-I269 HydrophobicContact CG2-CG1 4.15Å; A236-I269 PolarHBondContact O-N 3.4Å; K251-I269 PolarHBondContact NZ-O 2.87Å
270	E	88.8	Confident	86.9	Confident	36 Å²	36	44.6 Å²	44.6	17%	0.168	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	138.7	171.8	-68.3	-54.6	152.3	0	0	110.4	P187 K188 V190 K251 M268 F272	P187-E270 CarbonylContact C-O 3.51Å; P187-E270 WeakPolarHBondContact CA-O 3.12Å; K188-E270 PolarHBondContact N-O 2.02Å; K188-E270 PolarHBondContact O-N 2.77Å; V190-E270 HydrophobicContact CG2-CB 4.41Å; V190-E270 HydrophobicContact CG2-CG 3.94Å; K251-E270 IonicContact NZ-OE1 3.46Å; K251-E270 PolarHBondContact NZ-OE1 3.29Å; K251-E270 IonicContact NZ-OE2 2.73Å; K251-E270 PolarHBondContact NZ-OE2 3.14Å; M268-E270 HydrophobicContact CE-CG 4.3Å; M268-E270 WeakPolarHBondContact CE-OE1 3.42Å; E270-F272 HydrophobicContact CB-CD2 4.1Å; E270-F272 HydrophobicContact CB-CE2 3.5Å; E270-F272 HydrophobicContact CB-CZ 4.11Å; E270-F272 HydrophobicContact CG-CE2 4.4Å
271	C	90.4	Very high	86.5	Confident	22 Å²	22	44.7 Å²	44.7	15%	0.149	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	132.6	172.4	-62.3	0	0	0	0	109	C181 E185 R306	C181-C271 WeakPolarHBondContact CA-SG 3.26Å; C181-C271 HydrophobicContact CB-CB 3.65Å; C181-C271 WeakPolarHBondContact CB-SG 3Å; C181-C271 VanDerWaalsContact SG-CA 3.58Å; C181-C271 WeakPolarHBondContact SG-CB 3.46Å; C181-C271 CovalentContact SG-SG 2.03Å; C181-C271 PolarHBondContact SG-SG 2.92Å; E185-C271 HydrophobicContact CB-CB 4.18Å; C271-R306 PolarHBondContact O-NH1 3.33Å
272	F	90.1	Very high	86.1	Confident	1 Å²	1	46.3 Å²	46.3	0%	0.004	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	151.2	176.3	-71.9	-80.4	0	0	0	110.6	E185 L186 K188 E270 E274 V277 F284 R306 I309 E310 L313	E185-F272 CarbonylContact C-O 3.54Å; E185-F272 VanDerWaalsContact CA-O 3.25Å; E185-F272 WeakPolarHBondContact CA-O 3.17Å; L186-F272 PolarHBondContact N-O 3.31Å; L186-F272 PolarHBondContact O-N 2.88Å; K188-F272 HydrophobicContact CB-CD2 4.17Å; K188-F272 HydrophobicContact CB-CE2 4.46Å; K188-F272 HydrophobicContact CG-CD2 4.32Å; E270-F272 HydrophobicContact CB-CD2 4.1Å; E270-F272 HydrophobicContact CB-CE2 3.5Å; E270-F272 HydrophobicContact CB-CZ 4.11Å; E270-F272 HydrophobicContact CG-CE2 4.4Å; F272-E274 PolarHBondContact O-N 3.24Å; F272-V277 HydrophobicContact CB-CB 4.47Å; F272-V277 HydrophobicContact CB-CG1 3.57Å; F272-V277 HydrophobicContact CB-CG2 4.09Å; F272-V277 HydrophobicContact CD2-CG1 4.39Å; F272-V277 HydrophobicContact CG-CG1 4.09Å; F272-F284 HydrophobicContact CD2-CE2 4.1Å; F272-F284 HydrophobicContact CE2-CD2 4.06Å; F272-F284 AromaticContact CE2-CE2 3.66Å; F272-F284 HydrophobicContact CE2-CE2 3.66Å; F272-F284 HydrophobicContact CZ-CD2 4.48Å; F272-F284 HydrophobicContact CZ-CE2 4.11Å; F272-R306 HydrophobicContact CE1-CG 3.96Å; F272-I309 HydrophobicContact CE1-CB 4.13Å; F272-I309 HydrophobicContact CE1-CG2 3.55Å; F272-I309 HydrophobicContact CZ-CB 4.27Å; F272-I309 HydrophobicContact CZ-CD1 4.47Å; F272-I309 HydrophobicContact CZ-CG2 3.57Å; F272-E310 HydrophobicContact CD1-CG 3.89Å; F272-E310 HydrophobicContact CE1-CG 4.15Å; F272-L313 HydrophobicContact CD1-CD1 4.29Å
273	P	88.5	Confident	86.3	Confident	44 Å²	44	43.4 Å²	43.4	29%	0.286	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	125.7	176.4	-24.9	34.2	0	0	0	111.4	K275 L276	P273-K275 VanDerWaalsContact C-N 3.27Å; P273-K275 PolarHBondContact O-N 3.46Å; P273-K275 VanDerWaalsContact O-N 3.09Å; P273-L276 HydrophobicContact CB-CD1 4.42Å; P273-L276 HydrophobicContact CG-CD1 4.33Å; P273-L276 WeakPolarHBondContact O-CB 3.29Å; P273-L276 PolarHBondContact O-N 2.82Å
274	E	85.5	Confident	86.5	Confident	91 Å²	91	37.9 Å²	37.9	43%	0.425	20%	0.2	S	C	.	.	H	α-helix	trans	-45.2	-51.7	-170.2	169.7	170.9	-151.9	0	0	112.4	G184 L186 F272 L276 V277 T278	G184-E274 WeakPolarHBondContact O-CB 3.46Å; G184-E274 PolarHBondContact O-N 2.76Å; L186-E274 HydrophobicContact CD1-CB 4.22Å; L186-E274 HydrophobicContact CD1-CG 3.76Å; L186-E274 HydrophobicContact CG-CB 3.99Å; L186-E274 HydrophobicContact CG-CG 4.01Å; F272-E274 PolarHBondContact O-N 3.24Å; E274-L276 PolarHBondContact O-N 2.77Å; E274-V277 PolarHBondContact O-N 2.88Å; E274-T278 WeakPolarHBondContact CG-OG1 3.44Å; E274-T278 PolarHBondContact O-N 2.84Å; E274-T278 PolarHBondContact O-OG1 2.84Å
275	K	85.1	Confident	86.6	Confident	184 Å²	184	38.3 Å²	38.3	80%	0.8	20%	0.202	S	C	*	.	H	α-helix	trans	-50.4	-29.6	-177.1	-58.4	175.3	-175.9	171.3	0	114.4	P273	P273-K275 VanDerWaalsContact C-N 3.27Å; P273-K275 PolarHBondContact O-N 3.46Å; P273-K275 VanDerWaalsContact O-N 3.09Å
276	L	84.8	Confident	86.7	Confident	31 Å²	31	37.7 Å²	37.7	16%	0.162	20%	0.198	C	C	.	.	H	α-helix	trans	-80.7	-33.8	179.1	-64.6	-177.5	0	0	0	112.2	P273 E274 E310 L313 A314	P273-L276 HydrophobicContact CB-CD1 4.42Å; P273-L276 HydrophobicContact CG-CD1 4.33Å; P273-L276 WeakPolarHBondContact O-CB 3.29Å; P273-L276 PolarHBondContact O-N 2.82Å; E274-L276 PolarHBondContact O-N 2.77Å; L276-E310 HydrophobicContact CD1-CB 4.24Å; L276-E310 HydrophobicContact CD1-CG 4.15Å; L276-L313 HydrophobicContact CB-CB 4.01Å; L276-L313 HydrophobicContact CB-CD1 4.13Å; L276-L313 HydrophobicContact CD1-CB 4.26Å; L276-L313 HydrophobicContact CD1-CD1 4.5Å; L276-L313 HydrophobicContact CD2-CB 4.29Å; L276-L313 HydrophobicContact CG-CB 4.42Å; L276-A314 HydrophobicContact CD2-CB 4.14Å
277	V	85.5	Confident	86.6	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-117.9	-5.7	-163.4	-58.8	0	0	0	0	115.4	L186 K188 F272 E274 E279 C280 F284 L313	L186-V277 HydrophobicContact CB-CG2 3.91Å; L186-V277 HydrophobicContact CD1-CG2 4.41Å; K188-V277 HydrophobicContact CD-CB 4.45Å; K188-V277 WeakPolarHBondContact CE-O 3.25Å; K188-V277 HydrophobicContact CG-CB 4.12Å; K188-V277 HydrophobicContact CG-CG1 4.33Å; K188-V277 HydrophobicContact CG-CG2 4.34Å; F272-V277 HydrophobicContact CB-CB 4.47Å; F272-V277 HydrophobicContact CB-CG1 3.57Å; F272-V277 HydrophobicContact CB-CG2 4.09Å; F272-V277 HydrophobicContact CD2-CG1 4.39Å; F272-V277 HydrophobicContact CG-CG1 4.09Å; E274-V277 PolarHBondContact O-N 2.88Å; V277-E279 PolarHBondContact O-N 3.49Å; V277-C280 PolarHBondContact O-N 2.04Å; V277-C280 VanDerWaalsContact O-N 3.12Å; V277-F284 HydrophobicContact CG1-CZ 4.12Å; V277-L313 HydrophobicContact CG1-CD1 3.73Å; V277-L313 HydrophobicContact CG1-CD2 4.24Å
278	T	79.7	Confident	86.5	Confident	84 Å²	84	38.4 Å²	38.4	52%	0.515	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-36.6	172	-43.4	0	0	0	0	112.3	E274 C280	E274-T278 WeakPolarHBondContact CG-OG1 3.44Å; E274-T278 PolarHBondContact O-N 2.84Å; E274-T278 PolarHBondContact O-OG1 2.84Å; T278-C280 VanDerWaalsContact C-N 3.3Å; T278-C280 PolarHBondContact O-N 2.93Å
279	E	72.5	Confident	86.3	Confident	66 Å²	66	43.9 Å²	43.9	31%	0.308	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	21.1	-177.7	-65.1	176	-116.6	0	0	113	V277 P281 G366 R367	V277-E279 PolarHBondContact O-N 3.49Å; E279-P281 WeakPolarHBondContact O-CD 3.14Å; E279-G366 PolarHBondContact O-N 3.18Å; E279-R367 HydrophobicContact CB-CG 3.71Å; E279-R367 IonicContact OE1-CZ 2.61Å; E279-R367 IonicContact OE1-NE 2.89Å; E279-R367 PolarHBondContact OE1-NE 3.36Å; E279-R367 IonicContact OE1-NH2 3.96Å; E279-R367 PolarHBondContact OE1-NH2 3.39Å; E279-R367 WeakPolarHBondContact OE2-CG 2.97Å; E279-R367 IonicContact OE2-CZ 2.94Å; E279-R367 IonicContact OE2-NE 3.17Å; E279-R367 PolarHBondContact OE2-NE 3.21Å; E279-R367 IonicContact OE2-NH2 2.95Å
280	C	81.1	Confident	86.2	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.233	C	C	.	.			trans	-118.6	87.1	176.3	-55	0	0	0	0	111.2	K188 V277 T278 F284 G364 C365	K188-C280 WeakPolarHBondContact CE-O 2.89Å; K188-C280 PolarHBondContact NZ-O 3.44Å; V277-C280 PolarHBondContact O-N 2.04Å; V277-C280 VanDerWaalsContact O-N 3.12Å; T278-C280 VanDerWaalsContact C-N 3.3Å; T278-C280 PolarHBondContact O-N 2.93Å; C280-F284 HydrophobicContact CB-CE1 4.08Å; C280-G364 CarbonylContact C-O 3.51Å; C280-C365 HydrophobicContact CB-CB 3.93Å; C280-C365 WeakPolarHBondContact CB-SG 3.02Å; C280-C365 WeakPolarHBondContact SG-CB 3.25Å; C280-C365 CovalentContact SG-SG 2.04Å; C280-C365 PolarHBondContact SG-SG 2.85Å
281	P	75.8	Confident	86.3	Confident	92 Å²	92	43.4 Å²	43.4	60%	0.597	23%	0.225	S	C	*	.			trans	-73.8	-27.3	-172.2	29.5	-35.7	0	0	0	113.7	E279 G364	E279-P281 WeakPolarHBondContact O-CD 3.14Å; P281-G364 WeakPolarHBondContact CD-O 3.29Å
282	N	81.5	Confident	86.1	Confident	58 Å²	58	42.4 Å²	42.4	31%	0.31	22%	0.219	S	C	.	.	S	Bend	trans	-93.6	159	-177	-58.2	-18.9	0	0	0	111	G364	N282-G364 WeakPolarHBondContact CB-O 3.49Å; N282-G364 PolarHBondContact N-O 3.34Å; N282-G364 VanDerWaalsContact N-O 3.07Å
283	N	86.9	Confident	85.6	Confident	48 Å²	48	43.7 Å²	43.7	26%	0.257	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-62.2	154.4	172.9	-62.1	-14.5	0	0	0	110.8	I189 E191	I189-N283 HydrophobicContact CB-CB 4.27Å; I189-N283 HydrophobicContact CG2-CB 4.37Å; I189-N283 WeakPolarHBondContact O-CA 3Å; I189-N283 WeakPolarHBondContact O-CB 3.32Å; E191-N283 HydrophobicContact CG-CB 4.08Å; E191-N283 WeakPolarHBondContact OE1-CB 3.38Å; E191-N283 PolarHBondContact OE1-ND2 2.99Å
284	F	91.2	Very high	84.9	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	144.6	171.5	-64.2	-5.2	0	0	0	108.5	K188 I189 V190 E191 F272 V277 C280 Y286 I309 L313 E362 L363	K188-F284 HydrophobicContact CB-CE2 4.41Å; K188-F284 HydrophobicContact CD-CE1 4.48Å; K188-F284 HydrophobicContact CG-CE2 4.43Å; K188-F284 HydrophobicContact CG-CZ 4.2Å; I189-F284 PolarHBondContact O-N 3.25Å; V190-F284 CarbonylContact C-O 3.5Å; V190-F284 WeakPolarHBondContact CA-O 3.06Å; V190-F284 HydrophobicContact CG2-CB 4.34Å; E191-F284 PolarHBondContact N-O 2.03Å; F272-F284 HydrophobicContact CD2-CE2 4.1Å; F272-F284 HydrophobicContact CE2-CD2 4.06Å; F272-F284 AromaticContact CE2-CE2 3.66Å; F272-F284 HydrophobicContact CE2-CE2 3.66Å; F272-F284 HydrophobicContact CZ-CD2 4.48Å; F272-F284 HydrophobicContact CZ-CE2 4.11Å; V277-F284 HydrophobicContact CG1-CZ 4.12Å; C280-F284 HydrophobicContact CB-CE1 4.08Å; F284-Y286 HydrophobicContact CB-CE1 4.27Å; F284-I309 HydrophobicContact CE2-CG2 4.09Å; F284-L313 HydrophobicContact CE2-CD1 4.42Å; F284-L313 HydrophobicContact CZ-CD1 4.34Å; F284-L313 HydrophobicContact CZ-CD2 4.16Å; F284-E362 WeakPolarHBondContact CA-O 3.05Å; F284-L363 HydrophobicContact CD1-CD2 4.37Å; F284-L363 HydrophobicContact CD2-CD2 4.1Å; F284-L363 HydrophobicContact CE1-CD2 4.28Å; F284-L363 HydrophobicContact CE2-CD2 4.02Å; F284-L363 HydrophobicContact CG-CD2 4.28Å; F284-L363 HydrophobicContact CZ-CD2 4.11Å
285	V	91.4	Very high	84.7	Confident	11 Å²	11	41 Å²	41	7%	0.067	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	120.5	-178.8	-176	0	0	0	0	109.4	E191 P193 F361 E362	E191-V285 HydrophobicContact CB-CG2 4.46Å; E191-V285 WeakPolarHBondContact O-CA 2.81Å; P193-V285 HydrophobicContact CG-CG1 4.14Å; V285-F361 CarbonylContact O-C 3.48Å; V285-F361 WeakPolarHBondContact O-CA 3.43Å; V285-E362 HydrophobicContact CB-CB 4.36Å; V285-E362 PolarHBondContact N-O 3.01Å; V285-E362 VanDerWaalsContact N-O 3.09Å; V285-E362 PolarHBondContact O-N 3.18Å
286	Y	93.5	Very high	84.8	Confident	5 Å²	5	32.8 Å²	32.8	2%	0.02	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	149.8	175	-63.9	8.3	0	0	0	110.8	V190 E191 V255 M268 F284 E305 I309 V359 Y360 F361	V190-Y286 HydrophobicContact CB-CE1 4.41Å; V190-Y286 HydrophobicContact CG1-CD1 3.57Å; V190-Y286 HydrophobicContact CG1-CD2 3.61Å; V190-Y286 HydrophobicContact CG1-CE1 3.54Å; V190-Y286 HydrophobicContact CG1-CE2 3.58Å; V190-Y286 HydrophobicContact CG1-CG 3.57Å; V190-Y286 HydrophobicContact CG2-CE1 3.99Å; V190-Y286 HydrophobicContact CG2-CE2 4.44Å; E191-Y286 PolarHBondContact O-N 3.43Å; V255-Y286 HydrophobicContact CG1-CD2 3.95Å; V255-Y286 HydrophobicContact CG2-CD2 4.26Å; M268-Y286 HydrophobicContact CE-CE2 3.99Å; F284-Y286 HydrophobicContact CB-CE1 4.27Å; Y286-E305 VanDerWaalsContact CD2-OE1 3.3Å; Y286-E305 WeakPolarHBondContact CD2-OE1 3.41Å; Y286-E305 WeakPolarHBondContact CE2-OE1 3.3Å; Y286-I309 HydrophobicContact CE1-CD1 3.88Å; Y286-I309 HydrophobicContact CE2-CD1 4.46Å; Y286-I309 WeakPolarHBondContact OH-CD1 3.32Å; Y286-V359 HydrophobicContact CD2-CG2 4.11Å; Y286-V359 HydrophobicContact CG-CG2 4.27Å; Y286-Y360 CarbonylContact C-O 3.56Å; Y286-Y360 VanDerWaalsContact CA-O 3.3Å; Y286-Y360 WeakPolarHBondContact CA-O 3.28Å; Y286-F361 HydrophobicContact CD1-CB 3.52Å; Y286-F361 HydrophobicContact CE1-CB 3.81Å; Y286-F361 HydrophobicContact CG-CB 4.27Å
287	A	90.9	Very high	84.8	Confident	13 Å²	13	34.7 Å²	34.7	11%	0.107	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	107.3	170.8	0	0	0	0	0	109.6	H290 Y351 Y360	A287-H290 HydrophobicContact CB-CB 3.95Å; A287-Y351 WeakPolarHBondContact CB-OH 3.21Å; A287-Y360 HydrophobicContact CB-CD1 4.25Å; A287-Y360 PolarHBondContact N-O 2.72Å; A287-Y360 PolarHBondContact O-N 2.89Å
288	P	90.3	Very high	84.9	Confident	5 Å²	5	34.7 Å²	34.7	3%	0.032	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	146.8	169.4	-20.5	31.5	0	0	0	110.9	V192 Y195 V255 H290	V192-P288 HydrophobicContact CG1-CG 4.17Å; Y195-P288 HydrophobicContact CD2-CG 4.48Å; Y195-P288 HydrophobicContact CE1-CB 4.48Å; Y195-P288 HydrophobicContact CE1-CG 4.18Å; Y195-P288 HydrophobicContact CE2-CG 4.03Å; V255-P288 HydrophobicContact CB-CG 4.15Å; V255-P288 HydrophobicContact CG2-CG 3.96Å; P288-H290 VanDerWaalsContact C-N 3.28Å; P288-H290 PolarHBondContact O-N 2.96Å; P288-H290 PolarHBondContact O-ND1 3.41Å
289	K	88.2	Confident	85.4	Confident	122 Å²	122	30.7 Å²	30.7	53%	0.53	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	31.6	174.5	-60.3	-179.9	-179.6	176.7	0	114.8	E353 E354 V358	K289-E353 CarbonylContact O-C 3.43Å; K289-E353 VanDerWaalsContact O-CA 3.24Å; K289-E353 WeakPolarHBondContact O-CA 3.17Å; K289-E354 WeakPolarHBondContact CB-O 3.49Å; K289-E354 PolarHBondContact O-N 3.48Å; K289-V358 PolarHBondContact N-O 3.07Å
290	H	89.6	Confident	86.3	Confident	34 Å²	34	27.7 Å²	27.7	16%	0.157	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	150.8	178.6	-78.8	78.2	0	0	0	111.5	A287 P288 Y351 T352 Y360	A287-H290 HydrophobicContact CB-CB 3.95Å; P288-H290 VanDerWaalsContact C-N 3.28Å; P288-H290 PolarHBondContact O-N 2.96Å; P288-H290 PolarHBondContact O-ND1 3.41Å; H290-Y351 HydrophobicContact CB-CE2 3.89Å; H290-Y351 AromaticContact CD2-CE1 3.31Å; H290-Y351 WeakPolarHBondContact CD2-CE1 3.27Å; H290-Y351 AromaticContact CD2-CE2 4Å; H290-Y351 AromaticContact CD2-CZ 3.26Å; H290-Y351 PolarHBondContact CD2-OH 3.12Å; H290-Y351 VanDerWaalsContact CD2-OH 3.24Å; H290-Y351 AromaticContact CG-CZ 3.72Å; H290-Y351 AromaticContact NE2-CE1 3.85Å; H290-T352 WeakPolarHBondContact CA-O 3.46Å; H290-Y360 WeakPolarHBondContact O-CB 3.34Å
291	V	89.4	Confident	86.8	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	156.4	176.1	-62.6	0	0	0	0	111.6	V293 M327 Y351 T352 E354 V358	V291-V293 HydrophobicContact CG2-CG2 4.22Å; V291-M327 VanDerWaalsContact CA-SD 3.51Å; V291-M327 HydrophobicContact CB-SD 3.54Å; V291-M327 VanDerWaalsContact CB-SD 3.54Å; V291-M327 HydrophobicContact CG1-SD 3.83Å; V291-Y351 WeakPolarHBondContact O-CA 3.44Å; V291-T352 HydrophobicContact CG2-CG2 3.57Å; V291-T352 PolarHBondContact N-O 3.5Å; V291-T352 PolarHBondContact O-N 2.03Å; V291-E354 HydrophobicContact CG1-CB 4.09Å; V291-E354 HydrophobicContact CG2-CB 4.22Å; V291-V358 HydrophobicContact CG1-CG1 3.95Å; V291-V358 HydrophobicContact CG1-CG2 4.18Å
292	L	86.5	Confident	87.5	Confident	2 Å²	2	25.1 Å²	25.1	1%	0.01	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	98.5	177.6	-171.5	73.3	0	0	0	110.2	F295 M327 N340 E342 Q347 V350 Y351 Y360	L292-F295 HydrophobicContact CD2-CB 4.2Å; L292-M327 PolarHBondContact N-SD 3.16Å; L292-N340 HydrophobicContact CD2-CB 4.41Å; L292-E342 WeakPolarHBondContact CD2-O 3.34Å; L292-Q347 HydrophobicContact CD1-CB 4.25Å; L292-V350 HydrophobicContact CD1-CG2 4.02Å; L292-Y351 HydrophobicContact CD1-CD2 4.24Å; L292-Y360 HydrophobicContact CB-CD2 4.22Å; L292-Y360 HydrophobicContact CB-CE2 3.73Å; L292-Y360 HydrophobicContact CD2-CE2 4.2Å; L292-Y360 HydrophobicContact CG-CE2 4.48Å
293	V	80.2	Confident	87.8	Confident	28 Å²	28	27.1 Å²	27.1	17%	0.17	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	129.4	-166.5	-178	0	0	0	0	112.4	V291 F295 V350 T352 D414 K415	V291-V293 HydrophobicContact CG2-CG2 4.22Å; V293-F295 VanDerWaalsContact O-CD2 3.3Å; V293-F295 WeakPolarHBondContact O-CD2 3.44Å; V293-V350 HydrophobicContact CB-CB 4.25Å; V293-V350 PolarHBondContact N-O 3.26Å; V293-T352 HydrophobicContact CG2-CG2 3.77Å; V293-D414 VanDerWaalsContact CG1-O 3.3Å; V293-D414 WeakPolarHBondContact CG1-O 3.04Å; V293-K415 HydrophobicContact CG2-CB 4.23Å; V293-K415 HydrophobicContact CG2-CG 4.1Å
294	G	72.9	Confident	87.9	Confident	47 Å²	47	27 Å²	27	49%	0.485	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	-2.1	169.1	0	0	0	0	0	116.9
295	F	82.6	Confident	87.8	Confident	32 Å²	32	28.1 Å²	28.1	14%	0.14	17%	0.166	C	C	.	.			trans	-105.3	10.9	-177.6	-70.7	-85.9	0	0	0	114.7	L292 V293 K297 N340 T341 E342 Q347 V350 P388	L292-F295 HydrophobicContact CD2-CB 4.2Å; V293-F295 VanDerWaalsContact O-CD2 3.3Å; V293-F295 WeakPolarHBondContact O-CD2 3.44Å; F295-K297 PolarHBondContact O-N 2.9Å; F295-N340 VanDerWaalsContact O-CA 3.3Å; F295-N340 WeakPolarHBondContact O-CA 3.4Å; F295-T341 PolarHBondContact O-N 3.39Å; F295-E342 HydrophobicContact CB-CB 4.27Å; F295-E342 HydrophobicContact CD1-CB 3.81Å; F295-E342 HydrophobicContact CD1-CG 3.73Å; F295-E342 HydrophobicContact CE1-CB 4.5Å; F295-E342 HydrophobicContact CE1-CG 4.14Å; F295-E342 HydrophobicContact CG-CB 4.11Å; F295-Q347 HydrophobicContact CD1-CG 4.06Å; F295-Q347 HydrophobicContact CD2-CB 4.21Å; F295-Q347 HydrophobicContact CD2-CG 4.04Å; F295-Q347 HydrophobicContact CE1-CG 3.68Å; F295-Q347 HydrophobicContact CE2-CB 3.95Å; F295-Q347 HydrophobicContact CE2-CG 3.7Å; F295-Q347 HydrophobicContact CG-CG 4.23Å; F295-Q347 HydrophobicContact CZ-CB 4.25Å; F295-Q347 HydrophobicContact CZ-CG 3.51Å; F295-V350 HydrophobicContact CD2-CG2 3.83Å; F295-V350 HydrophobicContact CE2-CG2 3.62Å; F295-P388 HydrophobicContact CD1-CB 4.44Å; F295-P388 HydrophobicContact CD1-CG 3.77Å; F295-P388 HydrophobicContact CE1-CG 3.62Å
296	A	85.6	Confident	87.8	Confident	10 Å²	10	31.6 Å²	31.6	8%	0.083	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	118	174.6	0	0	0	0	0	111.6	I338 N340 V417	A296-I338 HydrophobicContact CB-CG2 3.46Å; A296-I338 VanDerWaalsContact CB-CG2 3.46Å; A296-N340 WeakPolarHBondContact CA-OD1 3.03Å; A296-N340 PolarHBondContact N-OD1 3.22Å; A296-V417 HydrophobicContact CB-CB 4.01Å; A296-V417 HydrophobicContact CB-CG1 3.85Å; A296-V417 HydrophobicContact CB-CG2 4.11Å
297	K	86.4	Confident	87.7	Confident	71 Å²	71	34.1 Å²	34.1	31%	0.309	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	-29.9	177.3	-178.8	70.6	172	-155.4	0	112.1	F295 F321 L339 T341 T394 A395	F295-K297 PolarHBondContact O-N 2.9Å; K297-F321 HydrophobicContact CB-CD2 4.03Å; K297-F321 HydrophobicContact CB-CE1 4.48Å; K297-F321 HydrophobicContact CB-CE2 3.87Å; K297-F321 HydrophobicContact CB-CG 4.42Å; K297-F321 HydrophobicContact CB-CZ 4.11Å; K297-F321 HydrophobicContact CD-CG 4.42Å; K297-F321 HydrophobicContact CG-CB 4.03Å; K297-F321 HydrophobicContact CG-CD1 3.65Å; K297-F321 HydrophobicContact CG-CD2 3.53Å; K297-F321 HydrophobicContact CG-CE1 3.9Å; K297-F321 HydrophobicContact CG-CE2 3.79Å; K297-F321 HydrophobicContact CG-CG 3.45Å; K297-F321 VanDerWaalsContact CG-CG 3.45Å; K297-F321 HydrophobicContact CG-CZ 3.97Å; K297-L339 PolarHBondContact N-O 2.6Å; K297-T341 HydrophobicContact CB-CG2 3.77Å; K297-T341 HydrophobicContact CD-CG2 4.09Å; K297-T341 HydrophobicContact CG-CG2 3.73Å; K297-T394 CarbonylContact O-C 3.37Å; K297-T394 WeakPolarHBondContact O-CA 3.47Å; K297-T394 WeakPolarHBondContact O-CB 3.44Å; K297-A395 PolarHBondContact O-N 3.31Å
298	A	87.4	Confident	87.8	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	154.1	171.1	0	0	0	0	0	111.3	L319 F321 L339 A395	A298-L319 HydrophobicContact CB-CD1 4.06Å; A298-F321 HydrophobicContact CB-CE1 3.71Å; A298-F321 HydrophobicContact CB-CZ 3.81Å; A298-L339 HydrophobicContact CB-CB 4.35Å; A298-L339 HydrophobicContact CB-CD1 4.49Å; A298-L339 PolarHBondContact N-O 2.81Å; A298-L339 PolarHBondContact O-N 3.35Å; A298-A395 HydrophobicContact CB-CB 4.32Å
299	V	90.5	Very high	88	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	132.3	167.8	-177	0	0	0	0	107.4	E335 I338 S397 Y409 V417 R418	V299-E335 HydrophobicContact CG1-CB 4Å; V299-E335 WeakPolarHBondContact CG1-O 3.3Å; V299-I338 HydrophobicContact CG1-CG1 4.47Å; V299-I338 HydrophobicContact CG2-CG1 4.33Å; V299-I338 HydrophobicContact CG2-CG2 4.43Å; V299-S397 WeakPolarHBondContact O-CB 3.4Å; V299-Y409 HydrophobicContact CB-CD2 3.85Å; V299-Y409 HydrophobicContact CB-CE2 3.79Å; V299-Y409 HydrophobicContact CG1-CD2 4.36Å; V299-Y409 HydrophobicContact CG1-CE2 3.83Å; V299-Y409 HydrophobicContact CG2-CD2 3.64Å; V299-Y409 HydrophobicContact CG2-CE2 3.96Å; V299-Y409 HydrophobicContact CG2-CG 4.44Å; V299-V417 HydrophobicContact CG2-CG1 3.53Å; V299-R418 HydrophobicContact CG1-CG 4.3Å
300	V	90.6	Very high	88.2	Confident	3 Å²	3	29.8 Å²	29.8	2%	0.018	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	163.4	-178.2	-61	0	0	0	0	110.3	L319 E335 N336 C337 L339	V300-L319 HydrophobicContact CG1-CD1 4.44Å; V300-E335 CarbonylContact O-C 3.46Å; V300-N336 PolarHBondContact O-N 2.67Å; V300-C337 HydrophobicContact CG2-CB 3.73Å; V300-C337 PolarHBondContact N-O 2.98Å; V300-C337 WeakPolarHBondContact O-CB 3.3Å; V300-C337 PolarHBondContact O-N 2.91Å; V300-L339 HydrophobicContact CG2-CD1 4.25Å; V300-L339 HydrophobicContact CG2-CG 4.42Å
301	T	90.9	Very high	88.3	Confident	35 Å²	35	29.1 Å²	29.1	22%	0.215	17%	0.166	C	C	.	.			trans	-92.5	137.2	168.2	-58.1	0	0	0	0	108.7	Q311 E335 N336	T301-Q311 PolarHBondContact O-NE2 2.89Å; T301-E335 PolarHBondContact OG1-N 3.15Å; T301-N336 WeakPolarHBondContact CA-OD1 3.47Å
302	A	90.8	Very high	88.5	Confident	2 Å²	2	29.1 Å²	29.1	2%	0.017	17%	0.166	C	C	.	.			trans	-136.5	140.1	171.9	0	0	0	0	0	109.7	S304 E307 C308 Y328 N336 C337	A302-S304 VanDerWaalsContact C-N 3.27Å; A302-S304 PolarHBondContact O-N 3.5Å; A302-E307 HydrophobicContact CB-CB 4.19Å; A302-E307 HydrophobicContact CB-CG 4.41Å; A302-C308 HydrophobicContact CB-CB 3.91Å; A302-Y328 HydrophobicContact CB-CE2 4.16Å; A302-N336 PolarHBondContact N-OD1 3.06Å; A302-N336 PolarHBondContact O-ND2 2.71Å; A302-N336 PolarHBondContact O-OD1 2.75Å; A302-C337 HydrophobicContact CB-CB 3.91Å
303	S	87.5	Confident	88.7	Confident	101 Å²	101	29.7 Å²	29.7	71%	0.706	17%	0.169	S	C	*	.	S	Bend	trans	-75.6	-16.1	177.9	64.6	0	0	0	0	113.7	E307	S303-E307 VanDerWaalsContact CB-OE2 3.3Å; S303-E307 WeakPolarHBondContact CB-OE2 3.25Å; S303-E307 PolarHBondContact N-OE2 3.27Å; S303-E307 PolarHBondContact OG-OE2 2.98Å
304	S	89.2	Confident	89.2	Confident	44 Å²	44	29.4 Å²	29.4	31%	0.308	17%	0.17	S	C	.	.	S	Bend	trans	-154.6	161.8	-179	62.8	0	0	0	0	112.2	A302 R306 E307 C308 Y328	A302-S304 VanDerWaalsContact C-N 3.27Å; A302-S304 PolarHBondContact O-N 3.5Å; S304-R306 VanDerWaalsContact C-N 3.31Å; S304-R306 PolarHBondContact O-N 3.1Å; S304-E307 PolarHBondContact O-N 3.44Å; S304-E307 WeakPolarHBondContact OG-CB 3.38Å; S304-E307 PolarHBondContact OG-N 3.17Å; S304-E307 VanDerWaalsContact OG-N 3.13Å; S304-C308 PolarHBondContact O-N 3.47Å; S304-Y328 WeakPolarHBondContact CA-OH 3.03Å
305	E	89.5	Confident	89.8	Confident	24 Å²	24	27.3 Å²	27.3	11%	0.112	15%	0.148	C	C	.	.	H	α-helix	trans	-55.4	-43.6	170.9	-177.7	175.5	175.9	0	0	111.8	Y286 E307 C308 I309 Y328 Y330 V359	Y286-E305 VanDerWaalsContact CD2-OE1 3.3Å; Y286-E305 WeakPolarHBondContact CD2-OE1 3.41Å; Y286-E305 WeakPolarHBondContact CE2-OE1 3.3Å; E305-E307 PolarHBondContact O-N 3.46Å; E305-C308 WeakPolarHBondContact O-CB 3.48Å; E305-C308 PolarHBondContact O-N 3.38Å; E305-I309 HydrophobicContact CG-CD1 4.37Å; E305-I309 WeakPolarHBondContact O-CG1 3.38Å; E305-I309 PolarHBondContact O-N 2.94Å; E305-Y328 HydrophobicContact CB-CD1 3.92Å; E305-Y328 HydrophobicContact CB-CE1 4.19Å; E305-Y328 HydrophobicContact CB-CG 4.35Å; E305-Y328 HydrophobicContact CG-CD1 4.49Å; E305-Y330 VanDerWaalsContact CD-OH 3.23Å; E305-Y330 PolarHBondContact OE1-OH 2.69Å; E305-Y330 VanDerWaalsContact OE2-CE1 3.25Å; E305-Y330 WeakPolarHBondContact OE2-CE1 3.36Å; E305-Y330 VanDerWaalsContact OE2-CZ 3.28Å; E305-Y330 PolarHBondContact OE2-OH 2.89Å; E305-V359 HydrophobicContact CG-CG1 4.12Å
306	R	90.4	Very high	89.8	Confident	85 Å²	85	29.4 Å²	29.4	32%	0.321	16%	0.16	S	C	.	.	H	α-helix	trans	-58.7	-47.1	173.6	176.9	175.5	165.7	159.1	-0.4	111.7	E185 C271 F272 S304 C308 I309 E310	E185-R306 IonicContact OE1-CZ 3.83Å; E185-R306 IonicContact OE1-NH1 3.98Å; E185-R306 PolarHBondContact OE1-NH1 2.87Å; E185-R306 IonicContact OE1-NH2 2.76Å; E185-R306 PolarHBondContact OE1-NH2 2.89Å; C271-R306 PolarHBondContact O-NH1 3.33Å; F272-R306 HydrophobicContact CE1-CG 3.96Å; S304-R306 VanDerWaalsContact C-N 3.31Å; S304-R306 PolarHBondContact O-N 3.1Å; R306-C308 VanDerWaalsContact C-N 3.32Å; R306-C308 PolarHBondContact O-N 3.33Å; R306-I309 PolarHBondContact O-N 2.88Å; R306-E310 IonicContact CZ-OE1 3.21Å; R306-E310 VanDerWaalsContact CZ-OE1 3.25Å; R306-E310 IonicContact NE-OE1 3.21Å; R306-E310 PolarHBondContact NE-OE1 2.62Å; R306-E310 IonicContact NH2-OE1 2.79Å; R306-E310 PolarHBondContact NH2-OE1 2.92Å; R306-E310 WeakPolarHBondContact O-CG 3.44Å; R306-E310 PolarHBondContact O-N 2.99Å
307	E	91.9	Very high	89.5	Confident	58 Å²	58	37.2 Å²	37.2	27%	0.271	20%	0.195	S	C	.	.	H	α-helix	trans	-64.6	-37.6	178.9	-165.6	-155	135.7	0	0	111.5	A302 S303 S304 E305 I309 E310 Q311	A302-E307 HydrophobicContact CB-CB 4.19Å; A302-E307 HydrophobicContact CB-CG 4.41Å; S303-E307 VanDerWaalsContact CB-OE2 3.3Å; S303-E307 WeakPolarHBondContact CB-OE2 3.25Å; S303-E307 PolarHBondContact N-OE2 3.27Å; S303-E307 PolarHBondContact OG-OE2 2.98Å; S304-E307 PolarHBondContact O-N 3.44Å; S304-E307 WeakPolarHBondContact OG-CB 3.38Å; S304-E307 PolarHBondContact OG-N 3.17Å; S304-E307 VanDerWaalsContact OG-N 3.13Å; E305-E307 PolarHBondContact O-N 3.46Å; E307-I309 VanDerWaalsContact C-N 3.3Å; E307-I309 PolarHBondContact O-N 3.48Å; E307-E310 PolarHBondContact O-N 2.84Å; E307-Q311 WeakPolarHBondContact O-CB 3.3Å; E307-Q311 WeakPolarHBondContact O-CG 3.39Å; E307-Q311 PolarHBondContact O-N 3.43Å; E307-Q311 PolarHBondContact OE1-NE2 2.78Å
308	C	94.2	Very high	89.1	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.6	-40.1	174.3	-175.9	0	0	0	0	112.1	A302 S304 E305 R306 Q311 C312 Y328 C337	A302-C308 HydrophobicContact CB-CB 3.91Å; S304-C308 PolarHBondContact O-N 3.47Å; E305-C308 WeakPolarHBondContact O-CB 3.48Å; E305-C308 PolarHBondContact O-N 3.38Å; R306-C308 VanDerWaalsContact C-N 3.32Å; R306-C308 PolarHBondContact O-N 3.33Å; C308-Q311 PolarHBondContact O-N 3.04Å; C308-C312 PolarHBondContact O-N 2.89Å; C308-Y328 HydrophobicContact CB-CD2 3.65Å; C308-Y328 HydrophobicContact CB-CE2 4.37Å; C308-Y328 HydrophobicContact CB-CG 4.33Å; C308-C337 WeakPolarHBondContact CA-SG 3.42Å; C308-C337 HydrophobicContact CB-CB 3.75Å; C308-C337 WeakPolarHBondContact CB-SG 3.08Å; C308-C337 WeakPolarHBondContact SG-CB 3.42Å; C308-C337 CovalentContact SG-SG 2.03Å; C308-C337 PolarHBondContact SG-SG 2.94Å
309	I	93.3	Very high	88.8	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-69	-42.2	175.3	-69.3	161.3	0	0	0	111.6	F272 F284 Y286 E305 R306 E307 Q311 C312 L313 F361 L363	F272-I309 HydrophobicContact CE1-CB 4.13Å; F272-I309 HydrophobicContact CE1-CG2 3.55Å; F272-I309 HydrophobicContact CZ-CB 4.27Å; F272-I309 HydrophobicContact CZ-CD1 4.47Å; F272-I309 HydrophobicContact CZ-CG2 3.57Å; F284-I309 HydrophobicContact CE2-CG2 4.09Å; Y286-I309 HydrophobicContact CE1-CD1 3.88Å; Y286-I309 HydrophobicContact CE2-CD1 4.46Å; Y286-I309 WeakPolarHBondContact OH-CD1 3.32Å; E305-I309 HydrophobicContact CG-CD1 4.37Å; E305-I309 WeakPolarHBondContact O-CG1 3.38Å; E305-I309 PolarHBondContact O-N 2.94Å; R306-I309 PolarHBondContact O-N 2.88Å; E307-I309 VanDerWaalsContact C-N 3.3Å; E307-I309 PolarHBondContact O-N 3.48Å; I309-Q311 VanDerWaalsContact C-N 3.32Å; I309-Q311 PolarHBondContact O-N 2.77Å; I309-C312 WeakPolarHBondContact O-CB 3.31Å; I309-C312 PolarHBondContact O-N 3.41Å; I309-C312 VanDerWaalsContact O-N 3.15Å; I309-L313 HydrophobicContact CG2-CD1 3.84Å; I309-L313 HydrophobicContact CG2-CG 4.41Å; I309-L313 WeakPolarHBondContact O-CG 3.4Å; I309-L313 PolarHBondContact O-N 3.16Å; I309-F361 HydrophobicContact CB-CE2 4.43Å; I309-F361 HydrophobicContact CD1-CG 4.36Å; I309-F361 HydrophobicContact CG1-CD1 4.07Å; I309-F361 HydrophobicContact CG1-CD2 3.74Å; I309-F361 HydrophobicContact CG1-CE1 3.99Å; I309-F361 HydrophobicContact CG1-CE2 3.65Å; I309-F361 HydrophobicContact CG1-CG 3.94Å; I309-F361 HydrophobicContact CG1-CZ 3.77Å; I309-L363 HydrophobicContact CG2-CD2 3.99Å
310	E	92.5	Very high	88.1	Confident	49 Å²	49	40.8 Å²	40.8	23%	0.229	24%	0.239	C	C	.	.	H	α-helix	trans	-62.3	-38.3	173.7	-72.1	-179.7	-179.3	0	0	111.7	F272 L276 R306 E307 L313 A314	F272-E310 HydrophobicContact CD1-CG 3.89Å; F272-E310 HydrophobicContact CE1-CG 4.15Å; L276-E310 HydrophobicContact CD1-CB 4.24Å; L276-E310 HydrophobicContact CD1-CG 4.15Å; R306-E310 IonicContact CZ-OE1 3.21Å; R306-E310 VanDerWaalsContact CZ-OE1 3.25Å; R306-E310 IonicContact NE-OE1 3.21Å; R306-E310 PolarHBondContact NE-OE1 2.62Å; R306-E310 IonicContact NH2-OE1 2.79Å; R306-E310 PolarHBondContact NH2-OE1 2.92Å; R306-E310 WeakPolarHBondContact O-CG 3.44Å; R306-E310 PolarHBondContact O-N 2.99Å; E307-E310 PolarHBondContact O-N 2.84Å; E310-L313 PolarHBondContact O-N 2.88Å; E310-A314 VanDerWaalsContact O-CB 3.26Å; E310-A314 WeakPolarHBondContact O-CB 3.02Å; E310-A314 PolarHBondContact O-N 3.16Å
311	Q	92.3	Very high	87.7	Confident	19 Å²	19	40.8 Å²	40.8	9%	0.089	24%	0.239	C	C	.	.	H	α-helix	trans	-68.1	-32.5	172.6	-69.5	-159.9	59.9	0	0	112.8	T301 E307 C308 I309 S315	T301-Q311 PolarHBondContact O-NE2 2.89Å; E307-Q311 WeakPolarHBondContact O-CB 3.3Å; E307-Q311 WeakPolarHBondContact O-CG 3.39Å; E307-Q311 PolarHBondContact O-N 3.43Å; E307-Q311 PolarHBondContact OE1-NE2 2.78Å; C308-Q311 PolarHBondContact O-N 3.04Å; I309-Q311 VanDerWaalsContact C-N 3.32Å; I309-Q311 PolarHBondContact O-N 2.77Å; Q311-S315 PolarHBondContact O-N 2.8Å; Q311-S315 VanDerWaalsContact O-N 3.12Å
312	C	93.3	Very high	87.3	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.007	24%	0.239	C	C	.	.	H	α-helix	trans	-68.4	-47.8	170.6	-173.2	0	0	0	0	111.3	C308 I309 A314 S315 C323 L339 F361 L363	C308-C312 PolarHBondContact O-N 2.89Å; I309-C312 WeakPolarHBondContact O-CB 3.31Å; I309-C312 PolarHBondContact O-N 3.41Å; I309-C312 VanDerWaalsContact O-N 3.15Å; C312-A314 VanDerWaalsContact C-N 3.31Å; C312-A314 PolarHBondContact O-N 3Å; C312-S315 WeakPolarHBondContact O-CB 3.1Å; C312-S315 PolarHBondContact O-N 2.81Å; C312-S315 VanDerWaalsContact O-N 3.1Å; C312-S315 PolarHBondContact O-OG 2.99Å; C312-C323 HydrophobicContact CB-CB 4.03Å; C312-C323 WeakPolarHBondContact CB-SG 3.36Å; C312-C323 WeakPolarHBondContact O-CB 3.38Å; C312-C323 WeakPolarHBondContact SG-CB 3.41Å; C312-C323 CovalentContact SG-SG 2.04Å; C312-C323 PolarHBondContact SG-SG 3.15Å; C312-L339 HydrophobicContact CB-CD2 3.67Å; C312-F361 HydrophobicContact CB-CE2 3.85Å; C312-F361 HydrophobicContact CB-CZ 4.13Å; C312-L363 HydrophobicContact CB-CD1 3.99Å; C312-L363 WeakPolarHBondContact SG-CD1 3.15Å
313	L	91.3	Very high	87.3	Confident	13 Å²	13	41.9 Å²	41.9	7%	0.068	24%	0.239	C	C	.	.	H	α-helix	trans	-60.7	-38.5	177.3	-72.5	161.1	0	0	0	112.5	F272 L276 V277 F284 I309 E310 S315 L363	F272-L313 HydrophobicContact CD1-CD1 4.29Å; L276-L313 HydrophobicContact CB-CB 4.01Å; L276-L313 HydrophobicContact CB-CD1 4.13Å; L276-L313 HydrophobicContact CD1-CB 4.26Å; L276-L313 HydrophobicContact CD1-CD1 4.5Å; L276-L313 HydrophobicContact CD2-CB 4.29Å; L276-L313 HydrophobicContact CG-CB 4.42Å; V277-L313 HydrophobicContact CG1-CD1 3.73Å; V277-L313 HydrophobicContact CG1-CD2 4.24Å; F284-L313 HydrophobicContact CE2-CD1 4.42Å; F284-L313 HydrophobicContact CZ-CD1 4.34Å; F284-L313 HydrophobicContact CZ-CD2 4.16Å; I309-L313 HydrophobicContact CG2-CD1 3.84Å; I309-L313 HydrophobicContact CG2-CG 4.41Å; I309-L313 WeakPolarHBondContact O-CG 3.4Å; I309-L313 PolarHBondContact O-N 3.16Å; E310-L313 PolarHBondContact O-N 2.88Å; L313-S315 VanDerWaalsContact C-N 3.35Å; L313-L363 HydrophobicContact CD2-CD1 3.74Å; L313-L363 HydrophobicContact CG-CD1 3.84Å
314	A	89.6	Confident	87.4	Confident	23 Å²	23	39.6 Å²	39.6	19%	0.19	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-1.3	177.2	0	0	0	0	0	114.4	L276 E310 C312 N316 E317 A318	L276-A314 HydrophobicContact CD2-CB 4.14Å; E310-A314 VanDerWaalsContact O-CB 3.26Å; E310-A314 WeakPolarHBondContact O-CB 3.02Å; E310-A314 PolarHBondContact O-N 3.16Å; C312-A314 VanDerWaalsContact C-N 3.31Å; C312-A314 PolarHBondContact O-N 3Å; A314-N316 VanDerWaalsContact C-N 3.26Å; A314-N316 PolarHBondContact O-N 2.78Å; A314-E317 PolarHBondContact O-N 3.44Å; A314-E317 VanDerWaalsContact O-N 3.14Å; A314-A318 VanDerWaalsContact O-CB 3.31Å; A314-A318 WeakPolarHBondContact O-CB 3.31Å; A314-A318 PolarHBondContact O-N 2.87Å
315	S	86.2	Confident	87.6	Confident	2 Å²	2	37.5 Å²	37.5	1%	0.014	20%	0.202	C	C	.	.	H	α-helix	trans	-53.7	-38	-174.9	56.1	0	0	0	0	114.2	Q311 C312 L313 E317 A318 L319 G320 F321 C323	Q311-S315 PolarHBondContact O-N 2.8Å; Q311-S315 VanDerWaalsContact O-N 3.12Å; C312-S315 WeakPolarHBondContact O-CB 3.1Å; C312-S315 PolarHBondContact O-N 2.81Å; C312-S315 VanDerWaalsContact O-N 3.1Å; C312-S315 PolarHBondContact O-OG 2.99Å; L313-S315 VanDerWaalsContact C-N 3.35Å; S315-E317 PolarHBondContact O-N 2.94Å; S315-A318 PolarHBondContact O-N 2.79Å; S315-L319 CarbonylContact O-C 3.54Å; S315-L319 WeakPolarHBondContact O-CA 3.03Å; S315-L319 WeakPolarHBondContact O-CB 3.44Å; S315-L319 PolarHBondContact O-N 2.84Å; S315-G320 PolarHBondContact O-N 3.26Å; S315-F321 CarbonylContact C-O 3.58Å; S315-F321 VanDerWaalsContact C-O 3.23Å; S315-F321 PolarHBondContact OG-O 3.08Å; S315-C323 WeakPolarHBondContact OG-CB 3.49Å; S315-C323 PolarHBondContact OG-N 3.42Å; S315-C323 VanDerWaalsContact OG-N 3.11Å
316	N	81.9	Confident	87.8	Confident	76 Å²	76	36.4 Å²	36.4	41%	0.406	20%	0.197	S	C	.	.	H	α-helix	trans	-62.7	-42.3	-179.5	-177.2	55.9	0	0	0	112.2	A314 G320 F321	A314-N316 VanDerWaalsContact C-N 3.26Å; A314-N316 PolarHBondContact O-N 2.78Å; N316-G320 PolarHBondContact O-N 3.24Å; N316-F321 WeakPolarHBondContact CA-O 3.29Å; N316-F321 PolarHBondContact N-O 3.03Å; N316-F321 VanDerWaalsContact N-O 3.09Å
317	E	79.9	Confident	88	Confident	174 Å²	174	32.6 Å²	32.6	81%	0.813	18%	0.183	S	C	*	.	H	α-helix	trans	-83.2	-34.3	179.5	-60.7	-174.1	167.9	0	0	112.3	A314 S315	A314-E317 PolarHBondContact O-N 3.44Å; A314-E317 VanDerWaalsContact O-N 3.14Å; S315-E317 PolarHBondContact O-N 2.94Å
318	A	78.9	Confident	88.1	Confident	47 Å²	47	30.7 Å²	30.7	39%	0.388	17%	0.174	S	C	.	.	H	α-helix	trans	-96.7	-20.7	-170.5	0	0	0	0	0	115.1	A314 S315	A314-A318 VanDerWaalsContact O-CB 3.31Å; A314-A318 WeakPolarHBondContact O-CB 3.31Å; A314-A318 PolarHBondContact O-N 2.87Å; S315-A318 PolarHBondContact O-N 2.79Å
319	L	79.3	Confident	87.9	Confident	36 Å²	36	31 Å²	31	19%	0.188	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.6	-5.6	-174.2	-59.8	172.3	0	0	0	113.5	A298 V300 S315 F321 L339 K398	A298-L319 HydrophobicContact CB-CD1 4.06Å; V300-L319 HydrophobicContact CG1-CD1 4.44Å; S315-L319 CarbonylContact O-C 3.54Å; S315-L319 WeakPolarHBondContact O-CA 3.03Å; S315-L319 WeakPolarHBondContact O-CB 3.44Å; S315-L319 PolarHBondContact O-N 2.84Å; L319-F321 HydrophobicContact CB-CD1 3.75Å; L319-F321 HydrophobicContact CB-CE1 3.51Å; L319-F321 HydrophobicContact CD1-CE1 3.74Å; L319-F321 HydrophobicContact CD1-CZ 4.21Å; L319-F321 HydrophobicContact CG-CE1 4.27Å; L319-L339 HydrophobicContact CD1-CD1 3.8Å; L319-K398 HydrophobicContact CD2-CG 4.36Å
320	G	77.5	Confident	87.6	Confident	64 Å²	64	32.4 Å²	32.4	66%	0.66	18%	0.18	S	C	*	.	S	Bend	trans	74.6	28	173.1	0	0	0	0	0	115.7	S315 N316	S315-G320 PolarHBondContact O-N 3.26Å; N316-G320 PolarHBondContact O-N 3.24Å
321	F	80.8	Confident	87.2	Confident	4 Å²	4	36.7 Å²	36.7	2%	0.018	20%	0.2	C	C	.	.	S	Bend	trans	-146.9	161.3	173.6	72.7	-91.5	0	0	0	111.7	K297 A298 S315 N316 L319 C323 L339 T341	K297-F321 HydrophobicContact CB-CD2 4.03Å; K297-F321 HydrophobicContact CB-CE1 4.48Å; K297-F321 HydrophobicContact CB-CE2 3.87Å; K297-F321 HydrophobicContact CB-CG 4.42Å; K297-F321 HydrophobicContact CB-CZ 4.11Å; K297-F321 HydrophobicContact CD-CG 4.42Å; K297-F321 HydrophobicContact CG-CB 4.03Å; K297-F321 HydrophobicContact CG-CD1 3.65Å; K297-F321 HydrophobicContact CG-CD2 3.53Å; K297-F321 HydrophobicContact CG-CE1 3.9Å; K297-F321 HydrophobicContact CG-CE2 3.79Å; K297-F321 HydrophobicContact CG-CG 3.45Å; K297-F321 VanDerWaalsContact CG-CG 3.45Å; K297-F321 HydrophobicContact CG-CZ 3.97Å; A298-F321 HydrophobicContact CB-CE1 3.71Å; A298-F321 HydrophobicContact CB-CZ 3.81Å; S315-F321 CarbonylContact C-O 3.58Å; S315-F321 VanDerWaalsContact C-O 3.23Å; S315-F321 PolarHBondContact OG-O 3.08Å; N316-F321 WeakPolarHBondContact CA-O 3.29Å; N316-F321 PolarHBondContact N-O 3.03Å; N316-F321 VanDerWaalsContact N-O 3.09Å; L319-F321 HydrophobicContact CB-CD1 3.75Å; L319-F321 HydrophobicContact CB-CE1 3.51Å; L319-F321 HydrophobicContact CD1-CE1 3.74Å; L319-F321 HydrophobicContact CD1-CZ 4.21Å; L319-F321 HydrophobicContact CG-CE1 4.27Å; F321-C323 HydrophobicContact CD2-CB 4.5Å; F321-C323 HydrophobicContact CE2-CB 3.83Å; F321-L339 HydrophobicContact CE2-CB 4.22Å; F321-L339 HydrophobicContact CZ-CB 3.78Å; F321-L339 HydrophobicContact CZ-CD1 4.18Å; F321-T341 HydrophobicContact CB-CG2 4.49Å; F321-T341 HydrophobicContact CD2-CG2 3.77Å; F321-T341 HydrophobicContact CE2-CG2 4.47Å; F321-T341 HydrophobicContact CG-CG2 4.47Å
322	Y	83.2	Confident	86.8	Confident	56 Å²	56	38.7 Å²	38.7	22%	0.22	21%	0.212	C	C	.	.			trans	-92.1	106.2	176.8	-168.1	-110.4	0	0	0	112.6	K324 C365 R367	Y322-K324 HydrophobicContact CD1-CG 3.9Å; Y322-K324 HydrophobicContact CE1-CG 4.07Å; Y322-K324 PolarHBondContact O-N 3.07Å; Y322-C365 WeakPolarHBondContact OH-CB 3.47Å; Y322-C365 PolarHBondContact OH-O 2.78Å; Y322-R367 HydrophobicContact CE2-CB 4.21Å
323	C	90.2	Very high	86.2	Confident	3 Å²	3	45.6 Å²	45.6	2%	0.02	25%	0.248	C	C	.	.			trans	-73.9	120.7	172.9	-170.9	0	0	0	0	110.8	C312 S315 F321 S325 N340	C312-C323 HydrophobicContact CB-CB 4.03Å; C312-C323 WeakPolarHBondContact CB-SG 3.36Å; C312-C323 WeakPolarHBondContact O-CB 3.38Å; C312-C323 WeakPolarHBondContact SG-CB 3.41Å; C312-C323 CovalentContact SG-SG 2.04Å; C312-C323 PolarHBondContact SG-SG 3.15Å; S315-C323 WeakPolarHBondContact OG-CB 3.49Å; S315-C323 PolarHBondContact OG-N 3.42Å; S315-C323 VanDerWaalsContact OG-N 3.11Å; F321-C323 HydrophobicContact CD2-CB 4.5Å; F321-C323 HydrophobicContact CE2-CB 3.83Å; C323-S325 PolarHBondContact SG-O 3.03Å; C323-N340 CarbonylContact C-O 3.52Å; C323-N340 WeakPolarHBondContact CA-O 3.23Å
324	K	90	Very high	85.9	Confident	54 Å²	54	48.5 Å²	48.5	24%	0.235	27%	0.267	C	S	.	.			trans	-98.9	-34.2	176.6	-62	-161.5	-169.6	97.8	0	112.9	Y322 N340 T341 E342 L363	Y322-K324 HydrophobicContact CD1-CG 3.9Å; Y322-K324 HydrophobicContact CE1-CG 4.07Å; Y322-K324 PolarHBondContact O-N 3.07Å; K324-N340 PolarHBondContact N-O 2.94Å; K324-T341 WeakPolarHBondContact CD-O 2.92Å; K324-T341 WeakPolarHBondContact CE-O 3.44Å; K324-T341 WeakPolarHBondContact CG-O 3.35Å; K324-T341 PolarHBondContact NZ-O 3.05Å; K324-E342 IonicContact NZ-OE2 3.33Å; K324-E342 PolarHBondContact NZ-OE2 2.93Å; K324-L363 PolarHBondContact O-N 3.49Å
325	S	93.2	Very high	85.7	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	167	177.2	72.7	0	0	0	0	110.2	C323 N340 E342 Y360 F361	C323-S325 PolarHBondContact SG-O 3.03Å; S325-N340 WeakPolarHBondContact O-CA 3.5Å; S325-N340 WeakPolarHBondContact O-CB 3Å; S325-N340 PolarHBondContact O-N 2.61Å; S325-N340 WeakPolarHBondContact OG-CB 3.41Å; S325-N340 PolarHBondContact OG-ND2 3.43Å; S325-E342 WeakPolarHBondContact CB-O 3.26Å; S325-E342 PolarHBondContact OG-O 3.26Å; S325-Y360 VanDerWaalsContact CB-OH 3.31Å; S325-Y360 WeakPolarHBondContact CB-OH 3.48Å; S325-Y360 WeakPolarHBondContact OG-CE2 3.24Å; S325-Y360 PolarHBondContact OG-OH 3.32Å; S325-F361 CarbonylContact C-O 3.55Å; S325-F361 WeakPolarHBondContact CA-O 3.44Å; S325-F361 WeakPolarHBondContact CB-O 3.04Å
326	G	93.9	Very high	86	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	177.4	171.2	0	0	0	0	0	112.8	I338 Y360 F361	G326-I338 CarbonylContact C-O 3.6Å; G326-I338 WeakPolarHBondContact CA-O 3.34Å; G326-Y360 WeakPolarHBondContact O-CA 3.45Å; G326-Y360 WeakPolarHBondContact O-CD2 3.36Å; G326-F361 VanDerWaalsContact C-CE1 3.47Å; G326-F361 PolarHBondContact N-O 2.88Å; G326-F361 PolarHBondContact O-N 2.03Å
327	M	93.8	Very high	86.5	Confident	6 Å²	6	45.4 Å²	45.4	3%	0.03	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	134.2	176.9	-61.1	171.2	-73.4	0	0	108.8	V291 L292 Y329 C337 I338 V358 V359 Y360	V291-M327 VanDerWaalsContact CA-SD 3.51Å; V291-M327 HydrophobicContact CB-SD 3.54Å; V291-M327 VanDerWaalsContact CB-SD 3.54Å; V291-M327 HydrophobicContact CG1-SD 3.83Å; L292-M327 PolarHBondContact N-SD 3.16Å; M327-Y329 HydrophobicContact CB-CE2 4.36Å; M327-C337 WeakPolarHBondContact O-CA 3.4Å; M327-I338 HydrophobicContact CB-CB 4.32Å; M327-I338 HydrophobicContact CE-CB 3.93Å; M327-I338 HydrophobicContact CE-CD1 4.03Å; M327-I338 HydrophobicContact CE-CG2 3.68Å; M327-I338 PolarHBondContact N-O 3.38Å; M327-I338 PolarHBondContact O-N 2.89Å; M327-V358 HydrophobicContact CB-CG2 4.23Å; M327-V359 CarbonylContact C-O 3.53Å; M327-V359 WeakPolarHBondContact CA-O 3.43Å; M327-Y360 HydrophobicContact CG-CD2 3.88Å
328	Y	94	Very high	87.2	Confident	18 Å²	18	37.1 Å²	37.1	7%	0.071	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	125.5	177.3	-178.3	-98.3	0	0	0	110.5	A302 S304 E305 C308 Y330 N336 C337 V358 V359	A302-Y328 HydrophobicContact CB-CE2 4.16Å; S304-Y328 WeakPolarHBondContact CA-OH 3.03Å; E305-Y328 HydrophobicContact CB-CD1 3.92Å; E305-Y328 HydrophobicContact CB-CE1 4.19Å; E305-Y328 HydrophobicContact CB-CG 4.35Å; E305-Y328 HydrophobicContact CG-CD1 4.49Å; C308-Y328 HydrophobicContact CB-CD2 3.65Å; C308-Y328 HydrophobicContact CB-CE2 4.37Å; C308-Y328 HydrophobicContact CB-CG 4.33Å; Y328-Y330 AromaticContact CD1-CD1 3.94Å; Y328-Y330 HydrophobicContact CD1-CD1 3.94Å; Y328-Y330 HydrophobicContact CD1-CE1 4.02Å; Y328-Y330 HydrophobicContact CD1-CG 4.4Å; Y328-Y330 AromaticContact CE1-CD1 3.66Å; Y328-Y330 HydrophobicContact CE1-CD1 3.66Å; Y328-Y330 HydrophobicContact CE1-CE1 4.04Å; Y328-Y330 HydrophobicContact CE1-CG 4.3Å; Y328-N336 WeakPolarHBondContact CA-O 3.49Å; Y328-N336 WeakPolarHBondContact CE2-ND2 3.33Å; Y328-C337 HydrophobicContact CD2-CB 4.37Å; Y328-V358 WeakPolarHBondContact O-CA 3.49Å; Y328-V359 HydrophobicContact CD1-CG1 4.39Å; Y328-V359 PolarHBondContact N-O 2.77Å; Y328-V359 PolarHBondContact O-N 2.92Å
329	Y	91.2	Very high	87.9	Confident	5 Å²	5	34.9 Å²	34.9	2%	0.02	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	118.6	178.9	-68.1	-100.1	0	0	0	109.9	M327 E331 D332 N336 I338 V358	M327-Y329 HydrophobicContact CB-CE2 4.36Å; Y329-E331 VanDerWaalsContact C-N 3.34Å; Y329-E331 PolarHBondContact O-N 2.85Å; Y329-D332 WeakPolarHBondContact CB-OD2 3.46Å; Y329-N336 PolarHBondContact N-O 2.77Å; Y329-I338 HydrophobicContact CE2-CD1 3.7Å; Y329-I338 HydrophobicContact CE2-CG1 4.38Å; Y329-V358 HydrophobicContact CD1-CB 3.82Å; Y329-V358 HydrophobicContact CD1-CG2 3.92Å; Y329-V358 HydrophobicContact CD2-CG2 4.01Å; Y329-V358 HydrophobicContact CE1-CB 3.8Å; Y329-V358 HydrophobicContact CE1-CG2 3.76Å; Y329-V358 HydrophobicContact CE2-CG2 3.85Å; Y329-V358 HydrophobicContact CG-CB 4.32Å; Y329-V358 HydrophobicContact CG-CG2 4.05Å
330	Y	87.1	Confident	88.4	Confident	31 Å²	31	33.2 Å²	33.2	12%	0.122	18%	0.18	C	C	.	.	S	Bend	trans	-75.4	-19.1	-175	-65.4	-75.9	0	0	0	114.4	R254 E305 Y328 S357 V359	R254-Y330 HydrophobicContact CB-CE1 4.47Å; R254-Y330 HydrophobicContact CG-CE1 4.26Å; E305-Y330 VanDerWaalsContact CD-OH 3.23Å; E305-Y330 PolarHBondContact OE1-OH 2.69Å; E305-Y330 VanDerWaalsContact OE2-CE1 3.25Å; E305-Y330 WeakPolarHBondContact OE2-CE1 3.36Å; E305-Y330 VanDerWaalsContact OE2-CZ 3.28Å; E305-Y330 PolarHBondContact OE2-OH 2.89Å; Y328-Y330 AromaticContact CD1-CD1 3.94Å; Y328-Y330 HydrophobicContact CD1-CD1 3.94Å; Y328-Y330 HydrophobicContact CD1-CE1 4.02Å; Y328-Y330 HydrophobicContact CD1-CG 4.4Å; Y328-Y330 AromaticContact CE1-CD1 3.66Å; Y328-Y330 HydrophobicContact CE1-CD1 3.66Å; Y328-Y330 HydrophobicContact CE1-CE1 4.04Å; Y328-Y330 HydrophobicContact CE1-CG 4.3Å; Y330-S357 WeakPolarHBondContact CD2-O 3.34Å; Y330-S357 PolarHBondContact N-O 2.78Å; Y330-V359 HydrophobicContact CE2-CB 4.05Å; Y330-V359 HydrophobicContact CE2-CG1 3.9Å
331	E	83.8	Confident	88.8	Confident	139 Å²	139	30.5 Å²	30.5	65%	0.65	15%	0.15	S	C	*	.	S	Bend	trans	-92	-18.4	-176.7	-73.7	168.2	-165.7	0	0	112.6	Y329 S357	Y329-E331 VanDerWaalsContact C-N 3.34Å; Y329-E331 PolarHBondContact O-N 2.85Å; E331-S357 WeakPolarHBondContact OE1-CB 3.47Å
332	D	84.5	Confident	88.9	Confident	61 Å²	61	30.8 Å²	30.8	33%	0.326	15%	0.152	S	C	.	.			trans	-95.7	132.9	-178.6	-65.6	-52.6	0	0	0	111.6	Y329 N336 R418	Y329-D332 WeakPolarHBondContact CB-OD2 3.46Å; D332-N336 HydrophobicContact CB-CB 3.68Å; D332-N336 VanDerWaalsContact O-CB 3.25Å; D332-N336 WeakPolarHBondContact O-CB 3.5Å; D332-N336 PolarHBondContact O-ND2 3.07Å; D332-R418 IonicContact OD2-CZ 3.8Å; D332-R418 VanDerWaalsContact OD2-CZ 3.25Å; D332-R418 IonicContact OD2-NH1 3.16Å; D332-R418 PolarHBondContact OD2-NH1 3.34Å; D332-R418 IonicContact OD2-NH2 2.8Å; D332-R418 PolarHBondContact OD2-NH2 2.88Å
333	N	80.7	Confident	89	Confident	145 Å²	145	28.6 Å²	28.6	78%	0.775	15%	0.145	S	C	*	.	S	Bend	trans	-97.4	-3.8	-179.3	-65.7	-86	0	0	0	113.6
334	T	85	Confident	88.8	Confident	75 Å²	75	32.6 Å²	32.6	46%	0.46	16%	0.16	S	C	.	.	S	Bend	trans	-147.9	145.4	-176.6	51.4	0	0	0	0	109.4	N336	T334-N336 PolarHBondContact O-N 2.98Å; T334-N336 VanDerWaalsContact O-N 3.1Å
335	E	85.6	Confident	88.1	Confident	34 Å²	34	34 Å²	34	16%	0.159	18%	0.176	C	C	.	.	S	Bend	trans	55.8	28.7	177.7	-54.5	170.4	137.1	0	0	111.9	V299 V300 T301 V407 Y409 R418 K422	V299-E335 HydrophobicContact CG1-CB 4Å; V299-E335 WeakPolarHBondContact CG1-O 3.3Å; V300-E335 CarbonylContact O-C 3.46Å; T301-E335 PolarHBondContact OG1-N 3.15Å; E335-V407 HydrophobicContact CG-CG2 4.29Å; E335-Y409 PolarHBondContact OE1-OH 2.77Å; E335-Y409 PolarHBondContact OE2-OH 2.91Å; E335-Y409 VanDerWaalsContact OE2-OH 3.07Å; E335-R418 WeakPolarHBondContact O-CD 3.36Å; E335-R418 PolarHBondContact O-NH1 3.27Å; E335-K422 IonicContact OE1-NZ 2.66Å; E335-K422 PolarHBondContact OE1-NZ 2.78Å; E335-K422 IonicContact OE2-NZ 2.78Å; E335-K422 PolarHBondContact OE2-NZ 2.79Å
336	N	90.7	Very high	87.3	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.011	19%	0.186	C	C	.	.			trans	-94.8	-6.4	-166.1	64.7	-18	0	0	0	114.6	V300 T301 A302 Y328 Y329 D332 T334	V300-N336 PolarHBondContact O-N 2.67Å; T301-N336 WeakPolarHBondContact CA-OD1 3.47Å; A302-N336 PolarHBondContact N-OD1 3.06Å; A302-N336 PolarHBondContact O-ND2 2.71Å; A302-N336 PolarHBondContact O-OD1 2.75Å; Y328-N336 WeakPolarHBondContact CA-O 3.49Å; Y328-N336 WeakPolarHBondContact CE2-ND2 3.33Å; Y329-N336 PolarHBondContact N-O 2.77Å; D332-N336 HydrophobicContact CB-CB 3.68Å; D332-N336 VanDerWaalsContact O-CB 3.25Å; D332-N336 WeakPolarHBondContact O-CB 3.5Å; D332-N336 PolarHBondContact O-ND2 3.07Å; T334-N336 PolarHBondContact O-N 2.98Å; T334-N336 VanDerWaalsContact O-N 3.1Å
337	C	94.3	Very high	86.5	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	117.2	179.4	175.9	0	0	0	0	109.9	V300 A302 C308 M327 Y328	V300-C337 HydrophobicContact CG2-CB 3.73Å; V300-C337 PolarHBondContact N-O 2.98Å; V300-C337 WeakPolarHBondContact O-CB 3.3Å; V300-C337 PolarHBondContact O-N 2.91Å; A302-C337 HydrophobicContact CB-CB 3.91Å; C308-C337 WeakPolarHBondContact CA-SG 3.42Å; C308-C337 HydrophobicContact CB-CB 3.75Å; C308-C337 WeakPolarHBondContact CB-SG 3.08Å; C308-C337 WeakPolarHBondContact SG-CB 3.42Å; C308-C337 CovalentContact SG-SG 2.03Å; C308-C337 PolarHBondContact SG-SG 2.94Å; M327-C337 WeakPolarHBondContact O-CA 3.4Å; Y328-C337 HydrophobicContact CD2-CB 4.37Å
338	I	93.5	Very high	85.8	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	130.6	179.7	-53.1	176.9	0	0	0	108.8	A296 V299 G326 M327 Y329 V417 R418	A296-I338 HydrophobicContact CB-CG2 3.46Å; A296-I338 VanDerWaalsContact CB-CG2 3.46Å; V299-I338 HydrophobicContact CG1-CG1 4.47Å; V299-I338 HydrophobicContact CG2-CG1 4.33Å; V299-I338 HydrophobicContact CG2-CG2 4.43Å; G326-I338 CarbonylContact C-O 3.6Å; G326-I338 WeakPolarHBondContact CA-O 3.34Å; M327-I338 HydrophobicContact CB-CB 4.32Å; M327-I338 HydrophobicContact CE-CB 3.93Å; M327-I338 HydrophobicContact CE-CD1 4.03Å; M327-I338 HydrophobicContact CE-CG2 3.68Å; M327-I338 PolarHBondContact N-O 3.38Å; M327-I338 PolarHBondContact O-N 2.89Å; Y329-I338 HydrophobicContact CE2-CD1 3.7Å; Y329-I338 HydrophobicContact CE2-CG1 4.38Å; I338-V417 HydrophobicContact CD1-CG1 4.03Å; I338-V417 HydrophobicContact CG2-CG1 4.29Å; I338-R418 HydrophobicContact CD1-CG 4.23Å
339	L	93.7	Very high	84.5	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	123.3	-174.2	-56.8	-175.3	0	0	0	110.3	K297 A298 V300 C312 L319 F321	K297-L339 PolarHBondContact N-O 2.6Å; A298-L339 HydrophobicContact CB-CB 4.35Å; A298-L339 HydrophobicContact CB-CD1 4.49Å; A298-L339 PolarHBondContact N-O 2.81Å; A298-L339 PolarHBondContact O-N 3.35Å; V300-L339 HydrophobicContact CG2-CD1 4.25Å; V300-L339 HydrophobicContact CG2-CG 4.42Å; C312-L339 HydrophobicContact CB-CD2 3.67Å; L319-L339 HydrophobicContact CD1-CD1 3.8Å; F321-L339 HydrophobicContact CE2-CB 4.22Å; F321-L339 HydrophobicContact CZ-CB 3.78Å; F321-L339 HydrophobicContact CZ-CD1 4.18Å
340	N	90.1	Very high	84	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	144.7	-171.8	-50.9	-44.5	0	0	0	112.5	L292 F295 A296 C323 K324 S325 E342	L292-N340 HydrophobicContact CD2-CB 4.41Å; F295-N340 VanDerWaalsContact O-CA 3.3Å; F295-N340 WeakPolarHBondContact O-CA 3.4Å; A296-N340 WeakPolarHBondContact CA-OD1 3.03Å; A296-N340 PolarHBondContact N-OD1 3.22Å; C323-N340 CarbonylContact C-O 3.52Å; C323-N340 WeakPolarHBondContact CA-O 3.23Å; K324-N340 PolarHBondContact N-O 2.94Å; S325-N340 WeakPolarHBondContact O-CA 3.5Å; S325-N340 WeakPolarHBondContact O-CB 3Å; S325-N340 PolarHBondContact O-N 2.61Å; S325-N340 WeakPolarHBondContact OG-CB 3.41Å; S325-N340 PolarHBondContact OG-ND2 3.43Å; N340-E342 VanDerWaalsContact C-N 3.33Å
341	T	85.3	Confident	83.9	Confident	7 Å²	7	51.5 Å²	51.5	4%	0.043	28%	0.275	C	S	.	.	S	Bend	trans	-84.5	-1.6	171.6	45.4	0	0	0	0	113.9	F295 K297 F321 K324	F295-T341 PolarHBondContact O-N 3.39Å; K297-T341 HydrophobicContact CB-CG2 3.77Å; K297-T341 HydrophobicContact CD-CG2 4.09Å; K297-T341 HydrophobicContact CG-CG2 3.73Å; F321-T341 HydrophobicContact CB-CG2 4.49Å; F321-T341 HydrophobicContact CD2-CG2 3.77Å; F321-T341 HydrophobicContact CE2-CG2 4.47Å; F321-T341 HydrophobicContact CG-CG2 4.47Å; K324-T341 WeakPolarHBondContact CD-O 2.92Å; K324-T341 WeakPolarHBondContact CE-O 3.44Å; K324-T341 WeakPolarHBondContact CG-O 3.35Å; K324-T341 PolarHBondContact NZ-O 3.05Å
342	E	84	Confident	83.9	Confident	10 Å²	10	47.2 Å²	47.2	5%	0.047	26%	0.258	C	S	.	.			trans	-134.7	177.1	-179.5	-73.5	-75	-132.9	0	0	111.4	R132 L292 F295 K324 S325 N340 T346 Q347	R132-E342 IonicContact CZ-OE2 2.65Å; R132-E342 VanDerWaalsContact NH2-CD 3.34Å; R132-E342 IonicContact NH2-OE1 2.77Å; R132-E342 PolarHBondContact NH2-OE1 2.92Å; R132-E342 IonicContact NH2-OE2 2.81Å; R132-E342 PolarHBondContact NH2-OE2 2.98Å; L292-E342 WeakPolarHBondContact CD2-O 3.34Å; F295-E342 HydrophobicContact CB-CB 4.27Å; F295-E342 HydrophobicContact CD1-CB 3.81Å; F295-E342 HydrophobicContact CD1-CG 3.73Å; F295-E342 HydrophobicContact CE1-CB 4.5Å; F295-E342 HydrophobicContact CE1-CG 4.14Å; F295-E342 HydrophobicContact CG-CB 4.11Å; K324-E342 IonicContact NZ-OE2 3.33Å; K324-E342 PolarHBondContact NZ-OE2 2.93Å; S325-E342 WeakPolarHBondContact CB-O 3.26Å; S325-E342 PolarHBondContact OG-O 3.26Å; N340-E342 VanDerWaalsContact C-N 3.33Å; E342-T346 WeakPolarHBondContact CB-OG1 3.35Å; E342-T346 WeakPolarHBondContact OE2-CB 3.5Å; E342-T346 PolarHBondContact OE2-OG1 2.98Å; E342-Q347 HydrophobicContact CB-CG 3.76Å; E342-Q347 HydrophobicContact CG-CG 4.02Å; E342-Q347 PolarHBondContact OE1-NE2 3.38Å
343	S	84.2	Confident	83.9	Confident	11 Å²	11	50.9 Å²	50.9	8%	0.077	27%	0.273	C	S	.	.			trans	-138.4	169.9	-172.6	58.2	0	0	0	0	111.3	S345 T346 Q347 Y360 E362	S343-S345 PolarHBondContact O-N 2.95Å; S343-S345 PolarHBondContact OG-OG 2.78Å; S343-T346 PolarHBondContact N-OG1 3.33Å; S343-T346 PolarHBondContact O-N 2.66Å; S343-T346 PolarHBondContact O-OG1 3.1Å; S343-T346 WeakPolarHBondContact OG-CG2 3.26Å; S343-T346 PolarHBondContact OG-OG1 3.27Å; S343-Q347 PolarHBondContact O-N 3.34Å; S343-Y360 VanDerWaalsContact CA-OH 3.31Å; S343-Y360 WeakPolarHBondContact CA-OH 3.36Å; S343-E362 WeakPolarHBondContact CB-OE1 2.9Å
344	R	85.7	Confident	83.7	Confident	87 Å²	87	45.6 Å²	45.6	33%	0.328	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-30.4	178.9	84.1	-162.8	153.3	116.1	5.6	111.5	T346 P348 Y351 Y360 E362	R344-T346 VanDerWaalsContact C-N 3.33Å; R344-P348 WeakPolarHBondContact O-CA 3.25Å; R344-P348 WeakPolarHBondContact O-CB 3.37Å; R344-P348 WeakPolarHBondContact O-CD 3.4Å; R344-P348 VanDerWaalsContact O-N 3.16Å; R344-Y351 HydrophobicContact CB-CD1 3.97Å; R344-Y351 HydrophobicContact CB-CD2 3.56Å; R344-Y351 HydrophobicContact CB-CE1 4.25Å; R344-Y351 HydrophobicContact CB-CE2 3.86Å; R344-Y351 HydrophobicContact CB-CG 3.61Å; R344-Y360 HydrophobicContact CB-CE1 4.39Å; R344-Y360 PolarHBondContact N-OH 2.92Å; R344-E362 WeakPolarHBondContact CB-OE1 3.42Å; R344-E362 WeakPolarHBondContact CG-OE1 3.13Å; R344-E362 IonicContact CZ-OE2 3.47Å; R344-E362 PolarHBondContact N-OE1 2.87Å; R344-E362 VanDerWaalsContact NE-CD 3.33Å; R344-E362 IonicContact NE-OE1 2.86Å; R344-E362 IonicContact NE-OE2 3.04Å; R344-E362 PolarHBondContact NE-OE2 2.99Å; R344-E362 IonicContact NH2-OE2 2.69Å; R344-E362 PolarHBondContact NH2-OE2 2.85Å
345	S	76.8	Confident	82.8	Confident	83 Å²	83	47 Å²	47	58%	0.58	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-23.7	175.6	51.6	0	0	0	0	113.4	S343	S343-S345 PolarHBondContact O-N 2.95Å; S343-S345 PolarHBondContact OG-OG 2.78Å
346	T	75.8	Confident	82.1	Confident	34 Å²	34	48 Å²	48	21%	0.209	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-23.3	177.9	64.4	0	0	0	0	113.2	R132 E342 S343 R344	R132-T346 VanDerWaalsContact NH1-CG2 3.29Å; R132-T346 VanDerWaalsContact NH2-CG2 3.34Å; E342-T346 WeakPolarHBondContact CB-OG1 3.35Å; E342-T346 WeakPolarHBondContact OE2-CB 3.5Å; E342-T346 PolarHBondContact OE2-OG1 2.98Å; S343-T346 PolarHBondContact N-OG1 3.33Å; S343-T346 PolarHBondContact O-N 2.66Å; S343-T346 PolarHBondContact O-OG1 3.1Å; S343-T346 WeakPolarHBondContact OG-CG2 3.26Å; S343-T346 PolarHBondContact OG-OG1 3.27Å; R344-T346 VanDerWaalsContact C-N 3.33Å
347	Q	77.8	Confident	81.8	Confident	57 Å²	57	49.3 Å²	49.3	27%	0.266	28%	0.281	S	S	.	.			trans	-135.9	56.2	-178.1	-61.1	-63.3	-16.3	0	0	112.4	L292 F295 E342 S343 N349 V350	L292-Q347 HydrophobicContact CD1-CB 4.25Å; F295-Q347 HydrophobicContact CD1-CG 4.06Å; F295-Q347 HydrophobicContact CD2-CB 4.21Å; F295-Q347 HydrophobicContact CD2-CG 4.04Å; F295-Q347 HydrophobicContact CE1-CG 3.68Å; F295-Q347 HydrophobicContact CE2-CB 3.95Å; F295-Q347 HydrophobicContact CE2-CG 3.7Å; F295-Q347 HydrophobicContact CG-CG 4.23Å; F295-Q347 HydrophobicContact CZ-CB 4.25Å; F295-Q347 HydrophobicContact CZ-CG 3.51Å; E342-Q347 HydrophobicContact CB-CG 3.76Å; E342-Q347 HydrophobicContact CG-CG 4.02Å; E342-Q347 PolarHBondContact OE1-NE2 3.38Å; S343-Q347 PolarHBondContact O-N 3.34Å; Q347-N349 VanDerWaalsContact C-N 3.25Å; Q347-N349 PolarHBondContact O-N 3.03Å; Q347-V350 HydrophobicContact CB-CG2 3.83Å; Q347-V350 VanDerWaalsContact O-CG2 3.27Å; Q347-V350 WeakPolarHBondContact O-CG2 3.49Å; Q347-V350 PolarHBondContact O-N 3.41Å
348	P	77.5	Confident	81.5	Confident	73 Å²	73	49.5 Å²	49.5	47%	0.474	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-63.7	-27	-172.5	25.2	-35.2	0	0	0	113.9	R344 V350 Y351	R344-P348 WeakPolarHBondContact O-CA 3.25Å; R344-P348 WeakPolarHBondContact O-CB 3.37Å; R344-P348 WeakPolarHBondContact O-CD 3.4Å; R344-P348 VanDerWaalsContact O-N 3.16Å; P348-V350 PolarHBondContact O-N 3.44Å; P348-Y351 PolarHBondContact O-N 3.48Å
349	N	68.3	Low	81.4	Confident	161 Å²	161	49.5 Å²	49.5	86%	0.861	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-73.9	-9.2	-175.5	-62.4	-26.9	0	0	0	114.4	Q347	Q347-N349 VanDerWaalsContact C-N 3.25Å; Q347-N349 PolarHBondContact O-N 3.03Å
350	V	79.3	Confident	81.4	Confident	47 Å²	47	49.5 Å²	49.5	29%	0.285	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-121.4	2.9	178.1	-64.4	0	0	0	0	112.9	L292 V293 F295 Q347 P348	L292-V350 HydrophobicContact CD1-CG2 4.02Å; V293-V350 HydrophobicContact CB-CB 4.25Å; V293-V350 PolarHBondContact N-O 3.26Å; F295-V350 HydrophobicContact CD2-CG2 3.83Å; F295-V350 HydrophobicContact CE2-CG2 3.62Å; Q347-V350 HydrophobicContact CB-CG2 3.83Å; Q347-V350 VanDerWaalsContact O-CG2 3.27Å; Q347-V350 WeakPolarHBondContact O-CG2 3.49Å; Q347-V350 PolarHBondContact O-N 3.41Å; P348-V350 PolarHBondContact O-N 3.44Å
351	Y	84.8	Confident	81.6	Confident	56 Å²	56	49.5 Å²	49.5	22%	0.22	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	118.8	171.1	-178.9	-107.4	0	0	0	108.1	A287 H290 V291 L292 R344 P348 Y360	A287-Y351 WeakPolarHBondContact CB-OH 3.21Å; H290-Y351 HydrophobicContact CB-CE2 3.89Å; H290-Y351 AromaticContact CD2-CE1 3.31Å; H290-Y351 WeakPolarHBondContact CD2-CE1 3.27Å; H290-Y351 AromaticContact CD2-CE2 4Å; H290-Y351 AromaticContact CD2-CZ 3.26Å; H290-Y351 PolarHBondContact CD2-OH 3.12Å; H290-Y351 VanDerWaalsContact CD2-OH 3.24Å; H290-Y351 AromaticContact CG-CZ 3.72Å; H290-Y351 AromaticContact NE2-CE1 3.85Å; V291-Y351 WeakPolarHBondContact O-CA 3.44Å; L292-Y351 HydrophobicContact CD1-CD2 4.24Å; R344-Y351 HydrophobicContact CB-CD1 3.97Å; R344-Y351 HydrophobicContact CB-CD2 3.56Å; R344-Y351 HydrophobicContact CB-CE1 4.25Å; R344-Y351 HydrophobicContact CB-CE2 3.86Å; R344-Y351 HydrophobicContact CB-CG 3.61Å; P348-Y351 PolarHBondContact O-N 3.48Å; Y351-Y360 HydrophobicContact CD2-CE1 4.29Å; Y351-Y360 AromaticContact CE2-CD1 3.55Å; Y351-Y360 HydrophobicContact CE2-CD1 3.55Å; Y351-Y360 HydrophobicContact CE2-CD2 4.46Å; Y351-Y360 AromaticContact CE2-CE1 3.58Å; Y351-Y360 HydrophobicContact CE2-CE1 3.58Å; Y351-Y360 HydrophobicContact CE2-CG 4Å
352	T	85	Confident	82	Confident	48 Å²	48	50 Å²	50	29%	0.294	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	149.1	-167.8	-175.4	0	0	0	0	111.1	H290 V291 V293 K415	H290-T352 WeakPolarHBondContact CA-O 3.46Å; V291-T352 HydrophobicContact CG2-CG2 3.57Å; V291-T352 PolarHBondContact N-O 3.5Å; V291-T352 PolarHBondContact O-N 2.03Å; V293-T352 HydrophobicContact CG2-CG2 3.77Å; T352-K415 HydrophobicContact CG2-CD 4.25Å; T352-K415 PolarHBondContact OG1-NZ 3.44Å
353	E	83.8	Confident	82.1	Confident	139 Å²	139	50.4 Å²	50.4	65%	0.65	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.6	149.3	169.8	-68.1	-178.1	167.8	0	0	111.5	K289 K415	K289-E353 CarbonylContact O-C 3.43Å; K289-E353 VanDerWaalsContact O-CA 3.24Å; K289-E353 WeakPolarHBondContact O-CA 3.17Å; E353-K415 PolarHBondContact O-NZ 2.9Å
354	E	77.3	Confident	81.6	Confident	33 Å²	33	50.4 Å²	50.4	15%	0.154	29%	0.288	C	S	.	.			trans	-135.5	146.4	171	-162.9	170.2	115.3	0	0	111	K289 V291 T356 V358	K289-E354 WeakPolarHBondContact CB-O 3.49Å; K289-E354 PolarHBondContact O-N 3.48Å; V291-E354 HydrophobicContact CG1-CB 4.09Å; V291-E354 HydrophobicContact CG2-CB 4.22Å; E354-T356 VanDerWaalsContact C-N 3.28Å; E354-T356 HydrophobicContact CG-CG2 4.23Å; E354-T356 WeakPolarHBondContact CG-OG1 3.14Å; E354-T356 PolarHBondContact O-N 3.08Å; E354-T356 VanDerWaalsContact OE1-CG2 3.28Å; E354-T356 WeakPolarHBondContact OE1-CG2 3.2Å; E354-T356 PolarHBondContact OE1-OG1 3.02Å; E354-V358 HydrophobicContact CB-CG1 4.39Å
355	A	64.6	Low	81	Confident	106 Å²	106	47.4 Å²	47.4	88%	0.876	28%	0.28	S	S	*	.	S	Bend	trans	-79.6	-8.7	-176.2	0	0	0	0	0	114.1
356	T	72.5	Confident	79.9	Confident	53 Å²	53	45.1 Å²	45.1	33%	0.325	27%	0.27	S	S	.	.	S	Bend	trans	-77.2	164.3	-177.9	54.3	0	0	0	0	112	E354 V358	E354-T356 VanDerWaalsContact C-N 3.28Å; E354-T356 HydrophobicContact CG-CG2 4.23Å; E354-T356 WeakPolarHBondContact CG-OG1 3.14Å; E354-T356 PolarHBondContact O-N 3.08Å; E354-T356 VanDerWaalsContact OE1-CG2 3.28Å; E354-T356 WeakPolarHBondContact OE1-CG2 3.2Å; E354-T356 PolarHBondContact OE1-OG1 3.02Å; T356-V358 PolarHBondContact O-N 3.41Å
357	S	82.9	Confident	78.7	Confident	31 Å²	31	47.2 Å²	47.2	22%	0.217	27%	0.274	C	S	.	.	S	Bend	trans	-79.8	72.9	174.3	-163.4	0	0	0	0	110.7	Y330 E331	Y330-S357 WeakPolarHBondContact CD2-O 3.34Å; Y330-S357 PolarHBondContact N-O 2.78Å; E331-S357 WeakPolarHBondContact OE1-CB 3.47Å
358	V	89.2	Confident	76.7	Confident	3 Å²	3	47.4 Å²	47.4	2%	0.018	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	146.1	-179.6	66.8	0	0	0	0	111.2	K289 V291 M327 Y328 Y329 E354 T356	K289-V358 PolarHBondContact N-O 3.07Å; V291-V358 HydrophobicContact CG1-CG1 3.95Å; V291-V358 HydrophobicContact CG1-CG2 4.18Å; M327-V358 HydrophobicContact CB-CG2 4.23Å; Y328-V358 WeakPolarHBondContact O-CA 3.49Å; Y329-V358 HydrophobicContact CD1-CB 3.82Å; Y329-V358 HydrophobicContact CD1-CG2 3.92Å; Y329-V358 HydrophobicContact CD2-CG2 4.01Å; Y329-V358 HydrophobicContact CE1-CB 3.8Å; Y329-V358 HydrophobicContact CE1-CG2 3.76Å; Y329-V358 HydrophobicContact CE2-CG2 3.85Å; Y329-V358 HydrophobicContact CG-CB 4.32Å; Y329-V358 HydrophobicContact CG-CG2 4.05Å; E354-V358 HydrophobicContact CB-CG1 4.39Å; T356-V358 PolarHBondContact O-N 3.41Å
359	V	91.9	Very high	74.5	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	130.1	165.8	58.9	0	0	0	0	109.6	V255 Y286 E305 M327 Y328 Y330	V255-V359 HydrophobicContact CG2-CB 4.2Å; V255-V359 HydrophobicContact CG2-CG2 3.67Å; Y286-V359 HydrophobicContact CD2-CG2 4.11Å; Y286-V359 HydrophobicContact CG-CG2 4.27Å; E305-V359 HydrophobicContact CG-CG1 4.12Å; M327-V359 CarbonylContact C-O 3.53Å; M327-V359 WeakPolarHBondContact CA-O 3.43Å; Y328-V359 HydrophobicContact CD1-CG1 4.39Å; Y328-V359 PolarHBondContact N-O 2.77Å; Y328-V359 PolarHBondContact O-N 2.92Å; Y330-V359 HydrophobicContact CE2-CB 4.05Å; Y330-V359 HydrophobicContact CE2-CG1 3.9Å
360	Y	93.8	Very high	72.9	Confident	1 Å²	1	47.1 Å²	47.1	0%	0.004	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	140.4	168.1	168.9	-94.2	0	0	0	109.5	Y286 A287 H290 L292 S325 G326 M327 S343 R344 Y351 E362	Y286-Y360 CarbonylContact C-O 3.56Å; Y286-Y360 VanDerWaalsContact CA-O 3.3Å; Y286-Y360 WeakPolarHBondContact CA-O 3.28Å; A287-Y360 HydrophobicContact CB-CD1 4.25Å; A287-Y360 PolarHBondContact N-O 2.72Å; A287-Y360 PolarHBondContact O-N 2.89Å; H290-Y360 WeakPolarHBondContact O-CB 3.34Å; L292-Y360 HydrophobicContact CB-CD2 4.22Å; L292-Y360 HydrophobicContact CB-CE2 3.73Å; L292-Y360 HydrophobicContact CD2-CE2 4.2Å; L292-Y360 HydrophobicContact CG-CE2 4.48Å; S325-Y360 VanDerWaalsContact CB-OH 3.31Å; S325-Y360 WeakPolarHBondContact CB-OH 3.48Å; S325-Y360 WeakPolarHBondContact OG-CE2 3.24Å; S325-Y360 PolarHBondContact OG-OH 3.32Å; G326-Y360 WeakPolarHBondContact O-CA 3.45Å; G326-Y360 WeakPolarHBondContact O-CD2 3.36Å; M327-Y360 HydrophobicContact CG-CD2 3.88Å; S343-Y360 VanDerWaalsContact CA-OH 3.31Å; S343-Y360 WeakPolarHBondContact CA-OH 3.36Å; R344-Y360 HydrophobicContact CB-CE1 4.39Å; R344-Y360 PolarHBondContact N-OH 2.92Å; Y351-Y360 HydrophobicContact CD2-CE1 4.29Å; Y351-Y360 AromaticContact CE2-CD1 3.55Å; Y351-Y360 HydrophobicContact CE2-CD1 3.55Å; Y351-Y360 HydrophobicContact CE2-CD2 4.46Å; Y351-Y360 AromaticContact CE2-CE1 3.58Å; Y351-Y360 HydrophobicContact CE2-CE1 3.58Å; Y351-Y360 HydrophobicContact CE2-CG 4Å; Y360-E362 HydrophobicContact CD1-CG 4.28Å; Y360-E362 HydrophobicContact CE1-CG 3.31Å; Y360-E362 WeakPolarHBondContact CE1-OE1 3.2Å; Y360-E362 WeakPolarHBondContact OH-CG 3.06Å; Y360-E362 PolarHBondContact OH-OE1 3.3Å
361	F	94	Very high	70.9	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	139.6	179.4	62.3	-94.2	0	0	0	112.4	V285 Y286 I309 C312 S325 G326 L363	V285-F361 CarbonylContact O-C 3.48Å; V285-F361 WeakPolarHBondContact O-CA 3.43Å; Y286-F361 HydrophobicContact CD1-CB 3.52Å; Y286-F361 HydrophobicContact CE1-CB 3.81Å; Y286-F361 HydrophobicContact CG-CB 4.27Å; I309-F361 HydrophobicContact CB-CE2 4.43Å; I309-F361 HydrophobicContact CD1-CG 4.36Å; I309-F361 HydrophobicContact CG1-CD1 4.07Å; I309-F361 HydrophobicContact CG1-CD2 3.74Å; I309-F361 HydrophobicContact CG1-CE1 3.99Å; I309-F361 HydrophobicContact CG1-CE2 3.65Å; I309-F361 HydrophobicContact CG1-CG 3.94Å; I309-F361 HydrophobicContact CG1-CZ 3.77Å; C312-F361 HydrophobicContact CB-CE2 3.85Å; C312-F361 HydrophobicContact CB-CZ 4.13Å; S325-F361 CarbonylContact C-O 3.55Å; S325-F361 WeakPolarHBondContact CA-O 3.44Å; S325-F361 WeakPolarHBondContact CB-O 3.04Å; G326-F361 VanDerWaalsContact C-CE1 3.47Å; G326-F361 PolarHBondContact N-O 2.88Å; G326-F361 PolarHBondContact O-N 2.03Å; F361-L363 HydrophobicContact CD2-CD2 3.92Å; F361-L363 HydrophobicContact CD2-CG 4.39Å; F361-L363 HydrophobicContact CE2-CD2 4.18Å; F361-L363 HydrophobicContact CE2-CG 4.46Å
362	E	92.1	Very high	68.7	Low	18 Å²	18	57.1 Å²	57.1	8%	0.084	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	130.9	173.7	-49.5	-158.8	127.3	0	0	110.3	F284 V285 S343 R344 Y360	F284-E362 WeakPolarHBondContact CA-O 3.05Å; V285-E362 HydrophobicContact CB-CB 4.36Å; V285-E362 PolarHBondContact N-O 3.01Å; V285-E362 VanDerWaalsContact N-O 3.09Å; V285-E362 PolarHBondContact O-N 3.18Å; S343-E362 WeakPolarHBondContact CB-OE1 2.9Å; R344-E362 WeakPolarHBondContact CB-OE1 3.42Å; R344-E362 WeakPolarHBondContact CG-OE1 3.13Å; R344-E362 IonicContact CZ-OE2 3.47Å; R344-E362 PolarHBondContact N-OE1 2.87Å; R344-E362 VanDerWaalsContact NE-CD 3.33Å; R344-E362 IonicContact NE-OE1 2.86Å; R344-E362 IonicContact NE-OE2 3.04Å; R344-E362 PolarHBondContact NE-OE2 2.99Å; R344-E362 IonicContact NH2-OE2 2.69Å; R344-E362 PolarHBondContact NH2-OE2 2.85Å; Y360-E362 HydrophobicContact CD1-CG 4.28Å; Y360-E362 HydrophobicContact CE1-CG 3.31Å; Y360-E362 WeakPolarHBondContact CE1-OE1 3.2Å; Y360-E362 WeakPolarHBondContact OH-CG 3.06Å; Y360-E362 PolarHBondContact OH-OE1 3.3Å
363	L	87.8	Confident	66.4	Low	17 Å²	17	58.5 Å²	58.5	9%	0.089	33%	0.333	C	S	.	.			trans	-89.2	121.3	175.2	-58	-171.3	0	0	0	109.8	F284 I309 C312 L313 K324 F361 C365	F284-L363 HydrophobicContact CD1-CD2 4.37Å; F284-L363 HydrophobicContact CD2-CD2 4.1Å; F284-L363 HydrophobicContact CE1-CD2 4.28Å; F284-L363 HydrophobicContact CE2-CD2 4.02Å; F284-L363 HydrophobicContact CG-CD2 4.28Å; F284-L363 HydrophobicContact CZ-CD2 4.11Å; I309-L363 HydrophobicContact CG2-CD2 3.99Å; C312-L363 HydrophobicContact CB-CD1 3.99Å; C312-L363 WeakPolarHBondContact SG-CD1 3.15Å; L313-L363 HydrophobicContact CD2-CD1 3.74Å; L313-L363 HydrophobicContact CG-CD1 3.84Å; K324-L363 PolarHBondContact O-N 3.49Å; F361-L363 HydrophobicContact CD2-CD2 3.92Å; F361-L363 HydrophobicContact CD2-CG 4.39Å; F361-L363 HydrophobicContact CE2-CD2 4.18Å; F361-L363 HydrophobicContact CE2-CG 4.46Å; L363-C365 HydrophobicContact CB-CB 4.47Å; L363-C365 PolarHBondContact O-N 3.29Å
364	G	73.3	Confident	64.2	Low	11 Å²	11	61.5 Å²	61.5	11%	0.113	34%	0.344	C	S	.	.			trans	-69.5	36.3	176.3	0	0	0	0	0	114.6	C280 P281 N282	C280-G364 CarbonylContact C-O 3.51Å; P281-G364 WeakPolarHBondContact CD-O 3.29Å; N282-G364 WeakPolarHBondContact CB-O 3.49Å; N282-G364 PolarHBondContact N-O 3.34Å; N282-G364 VanDerWaalsContact N-O 3.07Å
365	C	73.8	Confident	62.4	Low	24 Å²	24	69.4 Å²	69.4	16%	0.162	38%	0.378	C	S	.	.			trans	-93.3	125.4	-169.4	-57.6	0	0	0	0	112.6	C280 Y322 L363	C280-C365 HydrophobicContact CB-CB 3.93Å; C280-C365 WeakPolarHBondContact CB-SG 3.02Å; C280-C365 WeakPolarHBondContact SG-CB 3.25Å; C280-C365 CovalentContact SG-SG 2.04Å; C280-C365 PolarHBondContact SG-SG 2.85Å; Y322-C365 WeakPolarHBondContact OH-CB 3.47Å; Y322-C365 PolarHBondContact OH-O 2.78Å; L363-C365 HydrophobicContact CB-CB 4.47Å; L363-C365 PolarHBondContact O-N 3.29Å
366	G	51.7	Low	61.1	Low	36 Å²	36	71.2 Å²	71.2	37%	0.371	37%	0.366	S	S	.	.			trans	-120.3	60.8	-173.6	0	0	0	0	0	111.1	E279 T368	E279-G366 PolarHBondContact O-N 3.18Å; G366-T368 PolarHBondContact O-N 3.41Å
367	R	50.9	Low	59.4	Low	78 Å²	78	80 Å²	80	29%	0.294	39%	0.394	S	S	.	.			trans	-75.5	83.3	-171.3	-92.5	-170.3	151.7	125.3	0	113.1	E279 Y322	E279-R367 HydrophobicContact CB-CG 3.71Å; E279-R367 IonicContact OE1-CZ 2.61Å; E279-R367 IonicContact OE1-NE 2.89Å; E279-R367 PolarHBondContact OE1-NE 3.36Å; E279-R367 IonicContact OE1-NH2 3.96Å; E279-R367 PolarHBondContact OE1-NH2 3.39Å; E279-R367 WeakPolarHBondContact OE2-CG 2.97Å; E279-R367 IonicContact OE2-CZ 2.94Å; E279-R367 IonicContact OE2-NE 3.17Å; E279-R367 PolarHBondContact OE2-NE 3.21Å; E279-R367 IonicContact OE2-NH2 2.95Å; Y322-R367 HydrophobicContact CE2-CB 4.21Å
368	T	35.9	Very low	57.3	Low	61 Å²	61	87.4 Å²	87.4	37%	0.374	42%	0.422	S	S	.	.			trans	-53.7	138	170	71.8	0	0	0	0	111.4	E105 G366 R370	E105-T368 HydrophobicContact CG-CG2 4.11Å; G366-T368 PolarHBondContact O-N 3.41Å; T368-R370 PolarHBondContact O-N 3.49Å
369	G	31.4	Very low	54.9	Low	67 Å²	67	90.1 Å²	90.1	69%	0.691	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	29.2	-172.1	0	0	0	0	0	117.5
370	R	34.4	Very low	52.3	Low	160 Å²	160	98 Å²	98	60%	0.604	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-10.3	-166.4	-87.8	-176.6	165.5	159	0.3	117.5	E112 T368	E112-R370 VanDerWaalsContact CD-NH2 3.29Å; E112-R370 IonicContact OE1-CZ 2.77Å; E112-R370 IonicContact OE1-NH1 3.19Å; E112-R370 IonicContact OE1-NH2 3.47Å; E112-R370 PolarHBondContact OE1-NH2 2.84Å; E112-R370 IonicContact OE2-CZ 3Å; E112-R370 VanDerWaalsContact OE2-CZ 3.32Å; E112-R370 IonicContact OE2-NH1 2.69Å; E112-R370 PolarHBondContact OE2-NH1 3.31Å; E112-R370 IonicContact OE2-NH2 2.81Å; E112-R370 PolarHBondContact OE2-NH2 3.38Å; T368-R370 PolarHBondContact O-N 3.49Å
371	R	38.6	Very low	49.5	Very low	214 Å²	214	100.8 Å²	100.8	81%	0.808	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	-24.4	178	-81.7	-174.6	169.1	-177.4	-3	116.1
372	L	38.7	Very low	47	Very low	99 Å²	99	106 Å²	106	52%	0.518	52%	0.519	S	S	.	.	G	3₁₀ helix	trans	-76.9	-27.8	179.5	-80.8	158	0	0	0	113.9	K374 K375 F376	L372-K374 PolarHBondContact O-N 2.84Å; L372-K375 PolarHBondContact O-N 2.88Å; L372-K375 VanDerWaalsContact O-N 3.11Å; L372-F376 HydrophobicContact CD2-CB 4.3Å; L372-F376 HydrophobicContact CD2-CD2 3.44Å; L372-F376 VanDerWaalsContact CD2-CD2 3.44Å; L372-F376 HydrophobicContact CD2-CE2 3.9Å; L372-F376 HydrophobicContact CD2-CG 3.94Å; L372-F376 PolarHBondContact O-N 2.86Å
373	A	34.9	Very low	44.4	Very low	78 Å²	78	108.9 Å²	108.9	65%	0.645	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-60.8	-11.6	-172.4	0	0	0	0	0	116.4
374	K	38.9	Very low	42	Very low	202 Å²	202	113.6 Å²	113.6	88%	0.878	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-103.3	-4	177.7	-101.5	-176.2	176.1	-178.9	0	115.6	L372	L372-K374 PolarHBondContact O-N 2.84Å
375	K	40.1	Very low	40.3	Very low	199 Å²	199	118.7 Å²	118.7	87%	0.865	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.3	-30.1	170.9	-79.8	-169.6	174.2	-176.7	0	114.3	L372 R377	L372-K375 PolarHBondContact O-N 2.88Å; L372-K375 VanDerWaalsContact O-N 3.11Å; K375-R377 VanDerWaalsContact C-N 3.29Å; K375-R377 PolarHBondContact O-N 2.03Å; K375-R377 VanDerWaalsContact O-N 3.09Å
376	F	35.3	Very low	38.6	Very low	143 Å²	143	120.8 Å²	120.8	63%	0.627	60%	0.6	S	S	*	*			trans	-87.3	60.7	175.5	-89.2	-102.8	0	0	0	112.2	L372 K378	L372-F376 HydrophobicContact CD2-CB 4.3Å; L372-F376 HydrophobicContact CD2-CD2 3.44Å; L372-F376 VanDerWaalsContact CD2-CD2 3.44Å; L372-F376 HydrophobicContact CD2-CE2 3.9Å; L372-F376 HydrophobicContact CD2-CG 3.94Å; L372-F376 PolarHBondContact O-N 2.86Å; F376-K378 VanDerWaalsContact C-N 3.27Å
377	R	38.5	Very low	37.9	Very low	239 Å²	239	125.6 Å²	125.6	90%	0.902	62%	0.616	S	S	*	*			trans	-93.9	23.4	170	-145.4	179.9	-168.8	-170	2.9	112.6	K375	K375-R377 VanDerWaalsContact C-N 3.29Å; K375-R377 PolarHBondContact O-N 2.03Å; K375-R377 VanDerWaalsContact O-N 3.09Å
378	K	37.7	Very low	37	Very low	185 Å²	185	124.8 Å²	124.8	80%	0.804	62%	0.621	S	S	*	*	S	Bend	trans	-143	141.6	172.1	-65.9	-171.1	177.1	-172.7	0	107.7	F376	F376-K378 VanDerWaalsContact C-N 3.27Å
379	S	40.1	Very low	37.1	Very low	61 Å²	61	129.6 Å²	129.6	43%	0.427	64%	0.643	S	S	.	*			trans	52.6	78.8	-164.7	-162.4	0	0	0	0	115.1	S381 Q382	S379-S381 VanDerWaalsContact C-N 3.29Å; S379-S381 PolarHBondContact OG-OG 3.26Å; S379-S381 VanDerWaalsContact OG-OG 3.1Å; S379-Q382 PolarHBondContact OG-OE1 3.44Å
380	F	35.5	Very low	37.4	Very low	165 Å²	165	132.5 Å²	132.5	72%	0.724	65%	0.648	S	S	*	*			trans	-82.4	-11.1	160.3	-175.3	-114.8	0	0	0	111.8	L384	F380-L384 HydrophobicContact CD1-CD1 4.06Å; F380-L384 HydrophobicContact CE1-CD1 3.59Å; F380-L384 HydrophobicContact CZ-CD1 4.02Å
381	S	36.8	Very low	38.2	Very low	59 Å²	59	127.2 Å²	127.2	41%	0.413	64%	0.643	S	S	.	*	S	Bend	trans	-68.6	-45.2	-178.5	38.4	0	0	0	0	113.3	S379 A383 L384 F385	S379-S381 VanDerWaalsContact C-N 3.29Å; S379-S381 PolarHBondContact OG-OG 3.26Å; S379-S381 VanDerWaalsContact OG-OG 3.1Å; S381-A383 VanDerWaalsContact C-N 3.3Å; S381-A383 PolarHBondContact O-N 2.97Å; S381-L384 PolarHBondContact O-N 3.45Å; S381-F385 VanDerWaalsContact O-CD2 3.23Å; S381-F385 WeakPolarHBondContact O-CD2 3.4Å
382	Q	41.2	Very low	39.6	Very low	110 Å²	110	122 Å²	122	51%	0.514	63%	0.631	S	S	.	*	G	3₁₀ helix	trans	-63.2	-33.7	-176.6	-110.8	77	13.3	0	0	113.3	S379 L384 E832	S379-Q382 PolarHBondContact OG-OE1 3.44Å; Q382-L384 VanDerWaalsContact C-N 3.28Å; Q382-L384 PolarHBondContact O-N 3.17Å; Q382-E832 PolarHBondContact NE2-OE1 2.87Å
383	A	37.6	Very low	41.5	Very low	78 Å²	78	120.8 Å²	120.8	65%	0.645	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-80	-0.5	-172.8	0	0	0	0	0	115	S381	S381-A383 VanDerWaalsContact C-N 3.3Å; S381-A383 PolarHBondContact O-N 2.97Å
384	L	37.7	Very low	43.7	Very low	116 Å²	116	117.4 Å²	117.4	61%	0.607	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-102.1	1	178.7	-90.7	160.7	0	0	0	113.9	F380 S381 Q382	F380-L384 HydrophobicContact CD1-CD1 4.06Å; F380-L384 HydrophobicContact CE1-CD1 3.59Å; F380-L384 HydrophobicContact CZ-CD1 4.02Å; S381-L384 PolarHBondContact O-N 3.45Å; Q382-L384 VanDerWaalsContact C-N 3.28Å; Q382-L384 PolarHBondContact O-N 3.17Å
385	F	36.8	Very low	45.7	Very low	118 Å²	118	109.2 Å²	109.2	52%	0.518	56%	0.561	S	S	.	*			trans	-100.3	15	-175.4	-75.8	-75	0	0	0	115.6	S381 L387	S381-F385 VanDerWaalsContact O-CD2 3.23Å; S381-F385 WeakPolarHBondContact O-CD2 3.4Å; F385-L387 PolarHBondContact O-N 3.13Å
386	D	37.2	Very low	47.6	Very low	68 Å²	68	103 Å²	103	36%	0.364	53%	0.532	S	S	.	.			trans	-75.6	23.5	172.5	-86.5	-23.5	0	0	0	114
387	L	37.9	Very low	49.9	Very low	138 Å²	138	96.3 Å²	96.3	72%	0.723	50%	0.503	S	S	*	.	S	Bend	trans	-95.9	109	164.3	-85.3	163.8	0	0	0	109.3	F385 L389	F385-L387 PolarHBondContact O-N 3.13Å; L387-L389 VanDerWaalsContact C-N 3.34Å; L387-L389 PolarHBondContact O-N 2.65Å
388	P	31.1	Very low	51.8	Low	61 Å²	61	89.2 Å²	89.2	40%	0.396	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	78	-173.9	31.7	-36	0	0	0	111.9	F295	F295-P388 HydrophobicContact CD1-CB 4.44Å; F295-P388 HydrophobicContact CD1-CG 3.77Å; F295-P388 HydrophobicContact CE1-CG 3.62Å
389	L	38.8	Very low	53.7	Low	161 Å²	161	83.6 Å²	83.6	84%	0.843	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144	-1.8	176.9	-111.8	164.8	0	0	0	116.1	L387	L387-L389 VanDerWaalsContact C-N 3.34Å; L387-L389 PolarHBondContact O-N 2.65Å
390	T	38.3	Very low	55.1	Low	128 Å²	128	82.2 Å²	82.2	79%	0.785	45%	0.451	S	S	*	.	S	Bend	trans	-136.1	70.3	169.9	52.2	0	0	0	0	110.9
391	G	51.5	Low	56.5	Low	49 Å²	49	80.3 Å²	80.3	51%	0.505	46%	0.458	S	S	.	.			trans	-160.7	96.9	176.7	0	0	0	0	0	110.6	W393 T411	G391-W393 PolarHBondContact O-N 2.89Å; G391-T411 PolarHBondContact O-OG1 3.26Å
392	L	67.1	Low	57.8	Low	105 Å²	105	81.8 Å²	81.8	55%	0.55	47%	0.469	S	S	.	.	S	Bend	trans	-69.6	-5.5	178.4	-83.6	169.7	0	0	0	113.5	R410 T411	L392-R410 CarbonylContact O-C 3.44Å; L392-R410 VanDerWaalsContact O-CA 3.22Å; L392-R410 WeakPolarHBondContact O-CA 3.43Å; L392-R410 WeakPolarHBondContact O-CG 3.43Å; L392-T411 VanDerWaalsContact C-OG1 3.25Å; L392-T411 WeakPolarHBondContact CA-OG1 3.39Å; L392-T411 PolarHBondContact O-N 2.98Å; L392-T411 PolarHBondContact O-OG1 2.7Å
393	W	78.6	Confident	59	Low	74 Å²	74	80.1 Å²	80.1	28%	0.28	47%	0.466	S	S	.	.	B	Isolated β-bridge	trans	-141.9	150.8	-174.4	-64.1	91.3	0	0	0	111.5	G391 R408 Y409 R410 E423	G391-W393 PolarHBondContact O-N 2.89Å; W393-R408 HydrophobicContact CE3-CG 3.87Å; W393-R408 HydrophobicContact CZ3-CG 4.44Å; W393-Y409 CarbonylContact C-O 3.4Å; W393-Y409 VanDerWaalsContact CA-O 3.26Å; W393-Y409 WeakPolarHBondContact CA-O 3.19Å; W393-R410 HydrophobicContact CD2-CB 4.16Å; W393-R410 HydrophobicContact CD2-CG 4.41Å; W393-R410 HydrophobicContact CE3-CB 3.89Å; W393-R410 VanDerWaalsContact CE3-N 3.26Å; W393-R410 HydrophobicContact CH2-CB 3.88Å; W393-R410 HydrophobicContact CH2-CG 4.45Å; W393-R410 HydrophobicContact CZ2-CB 4.16Å; W393-R410 HydrophobicContact CZ2-CG 4.23Å; W393-R410 HydrophobicContact CZ3-CB 3.75Å; W393-E423 HydrophobicContact CH2-CG 3.71Å; W393-E423 HydrophobicContact CZ2-CG 4.47Å; W393-E423 WeakPolarHBondContact CZ2-OE1 3.47Å; W393-E423 HydrophobicContact CZ3-CB 4.31Å; W393-E423 HydrophobicContact CZ3-CG 3.81Å
394	T	80.9	Confident	60.7	Low	7 Å²	7	82.7 Å²	82.7	4%	0.043	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-63.5	161.4	162.6	69.1	0	0	0	0	110.7	K297 R408 Y409 V417	K297-T394 CarbonylContact O-C 3.37Å; K297-T394 WeakPolarHBondContact O-CA 3.47Å; K297-T394 WeakPolarHBondContact O-CB 3.44Å; T394-R408 WeakPolarHBondContact OG1-CA 3.45Å; T394-Y409 PolarHBondContact N-O 2.79Å; T394-Y409 PolarHBondContact OG1-N 2.84Å; T394-V417 HydrophobicContact CG2-CG2 4.45Å
395	A	80.1	Confident	62.7	Low	29 Å²	29	78.1 Å²	78.1	24%	0.24	44%	0.443	C	S	.	.	B	Isolated β-bridge	trans	-56.7	154.6	160.2	0	0	0	0	0	110.6	K297 A298	K297-A395 PolarHBondContact O-N 3.31Å; A298-A395 HydrophobicContact CB-CB 4.32Å
396	W	81.7	Confident	64.9	Low	68 Å²	68	72.5 Å²	72.5	26%	0.258	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-68.7	134.5	172	-74.8	104.4	0	0	0	110.7	S406 V407 R408 E423 R425	W396-S406 WeakPolarHBondContact CZ3-O 3.03Å; W396-V407 CarbonylContact C-O 3.57Å; W396-V407 WeakPolarHBondContact CA-O 3.02Å; W396-V407 VanDerWaalsContact CE3-C 3.5Å; W396-R408 HydrophobicContact CD2-CB 4.17Å; W396-R408 HydrophobicContact CD2-CG 3.96Å; W396-R408 VanDerWaalsContact CE2-CD 3.49Å; W396-R408 HydrophobicContact CE3-CB 4.05Å; W396-R408 HydrophobicContact CE3-CG 3.88Å; W396-R408 HydrophobicContact CH2-CG 3.87Å; W396-R408 HydrophobicContact CZ2-CG 3.96Å; W396-R408 VanDerWaalsContact CZ2-NE 3.28Å; W396-R408 HydrophobicContact CZ3-CB 4.39Å; W396-R408 HydrophobicContact CZ3-CG 3.82Å; W396-E423 HydrophobicContact CH2-CB 3.88Å; W396-E423 WeakPolarHBondContact CH2-OE2 3.31Å; W396-E423 HydrophobicContact CZ3-CB 4.35Å; W396-R425 VanDerWaalsContact CB-NH2 3.34Å; W396-R425 HydrophobicContact CD2-CG 4.47Å; W396-R425 VanDerWaalsContact CD2-NE 3.34Å; W396-R425 HydrophobicContact CE3-CG 3.86Å; W396-R425 HydrophobicContact CH2-CB 3.99Å; W396-R425 HydrophobicContact CH2-CG 3.94Å; W396-R425 HydrophobicContact CZ3-CB 4Å; W396-R425 HydrophobicContact CZ3-CG 3.57Å
397	S	82.3	Confident	67.3	Low	4 Å²	4	69.7 Å²	69.7	3%	0.028	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-60.6	158.5	171.2	80.9	0	0	0	0	111.4	V299 S406 V407	V299-S397 WeakPolarHBondContact O-CB 3.4Å; S397-S406 WeakPolarHBondContact O-CB 3.06Å; S397-S406 PolarHBondContact O-OG 3.06Å; S397-S406 WeakPolarHBondContact OG-CA 3.41Å; S397-V407 PolarHBondContact N-O 3.5Å; S397-V407 PolarHBondContact OG-N 3.28Å
398	K	79.1	Confident	69.7	Low	90 Å²	90	65.9 Å²	65.9	39%	0.391	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-56	152	160.9	-67.3	175	-177.3	165.9	0	110.2	L319 T400	L319-K398 HydrophobicContact CD2-CG 4.36Å; K398-T400 PolarHBondContact O-N 2.04Å
399	C	78.5	Confident	72.3	Confident	67 Å²	67	63.1 Å²	63.1	45%	0.453	36%	0.361	S	S	.	.			trans	-64.4	115.8	172.4	-70.7	0	0	0	0	110	S405 C427	C399-S405 WeakPolarHBondContact CA-O 3.39Å; C399-C427 VanDerWaalsContact CA-SG 3.55Å; C399-C427 HydrophobicContact CB-CB 3.81Å; C399-C427 WeakPolarHBondContact CB-SG 3.31Å; C399-C427 WeakPolarHBondContact SG-CB 3.46Å; C399-C427 CovalentContact SG-SG 2.02Å; C399-C427 PolarHBondContact SG-SG 2.75Å
400	T	68.9	Low	74.3	Confident	31 Å²	31	60.7 Å²	60.7	19%	0.19	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-80.5	127.3	179.5	-49.1	0	0	0	0	109.7	K398 S402 T403 E404 S405	K398-T400 PolarHBondContact O-N 2.04Å; T400-S402 WeakPolarHBondContact CG2-OG 3.45Å; T400-S402 PolarHBondContact O-N 3.15Å; T400-T403 PolarHBondContact O-N 2.82Å; T400-E404 PolarHBondContact O-N 3.45Å; T400-S405 PolarHBondContact N-O 3.28Å
401	S	63.6	Low	75.8	Confident	125 Å²	125	57 Å²	57	87%	0.874	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-21.9	-176.2	49.1	0	0	0	0	114.1
402	S	64.7	Low	76.8	Confident	91 Å²	91	57.2 Å²	57.2	64%	0.636	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-15	178	54.5	0	0	0	0	114.7	T400	T400-S402 WeakPolarHBondContact CG2-OG 3.45Å; T400-S402 PolarHBondContact O-N 3.15Å
403	T	66.1	Low	76.8	Confident	75 Å²	75	61.8 Å²	61.8	46%	0.46	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.4	-5.4	-173.5	61.5	0	0	0	0	114.4	T400 S405	T400-T403 PolarHBondContact O-N 2.82Å; T403-S405 WeakPolarHBondContact CB-OG 3.3Å; T403-S405 PolarHBondContact O-N 3.43Å; T403-S405 PolarHBondContact OG1-N 2.89Å; T403-S405 PolarHBondContact OG1-OG 3.2Å
404	E	73.5	Confident	76.6	Confident	131 Å²	131	61.5 Å²	61.5	61%	0.612	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.9	30.9	-168.5	-61.4	-163.8	161.2	0	0	113.7	T400 S426 C427	T400-E404 PolarHBondContact O-N 3.45Å; E404-S426 WeakPolarHBondContact O-CA 3.22Å; E404-C427 WeakPolarHBondContact O-CB 3.4Å; E404-C427 PolarHBondContact O-N 2.93Å
405	S	79	Confident	76.2	Confident	21 Å²	21	65.4 Å²	65.4	15%	0.147	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	156.4	-173.7	73.6	0	0	0	0	113.3	C399 T400 T403 R425	C399-S405 WeakPolarHBondContact CA-O 3.39Å; T400-S405 PolarHBondContact N-O 3.28Å; T403-S405 WeakPolarHBondContact CB-OG 3.3Å; T403-S405 PolarHBondContact O-N 3.43Å; T403-S405 PolarHBondContact OG1-N 2.89Å; T403-S405 PolarHBondContact OG1-OG 3.2Å; S405-R425 CarbonylContact C-O 3.36Å; S405-R425 VanDerWaalsContact CA-O 3.29Å; S405-R425 WeakPolarHBondContact CA-O 3.38Å
406	S	84.8	Confident	76.2	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	139.1	174.2	166.2	0	0	0	0	107.6	W396 S397 R425	W396-S406 WeakPolarHBondContact CZ3-O 3.03Å; S397-S406 WeakPolarHBondContact O-CB 3.06Å; S397-S406 PolarHBondContact O-OG 3.06Å; S397-S406 WeakPolarHBondContact OG-CA 3.41Å; S406-R425 PolarHBondContact N-O 2.92Å; S406-R425 WeakPolarHBondContact O-CG 3.37Å; S406-R425 PolarHBondContact O-N 2.02Å; S406-R425 PolarHBondContact OG-NE 3.41Å; S406-R425 PolarHBondContact OG-NH2 3.49Å; S406-R425 VanDerWaalsContact OG-NH2 3.08Å
407	V	86.8	Confident	76.1	Confident	9 Å²	9	62.1 Å²	62.1	6%	0.055	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	155.5	-170.3	-63.4	0	0	0	0	112.5	E335 W396 S397 Y409 E423 T424	E335-V407 HydrophobicContact CG-CG2 4.29Å; W396-V407 CarbonylContact C-O 3.57Å; W396-V407 WeakPolarHBondContact CA-O 3.02Å; W396-V407 VanDerWaalsContact CE3-C 3.5Å; S397-V407 PolarHBondContact N-O 3.5Å; S397-V407 PolarHBondContact OG-N 3.28Å; V407-Y409 HydrophobicContact CG2-CE2 4.37Å; V407-E423 VanDerWaalsContact CA-O 3.29Å; V407-E423 WeakPolarHBondContact CA-O 3.25Å; V407-T424 HydrophobicContact CG1-CG2 3.95Å
408	R	88.2	Confident	76.1	Confident	58 Å²	58	64.1 Å²	64.1	22%	0.219	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	152.4	166.8	64.4	175.1	-178.4	164.5	5.3	111.3	W393 T394 W396 K422 E423	W393-R408 HydrophobicContact CE3-CG 3.87Å; W393-R408 HydrophobicContact CZ3-CG 4.44Å; T394-R408 WeakPolarHBondContact OG1-CA 3.45Å; W396-R408 HydrophobicContact CD2-CB 4.17Å; W396-R408 HydrophobicContact CD2-CG 3.96Å; W396-R408 VanDerWaalsContact CE2-CD 3.49Å; W396-R408 HydrophobicContact CE3-CB 4.05Å; W396-R408 HydrophobicContact CE3-CG 3.88Å; W396-R408 HydrophobicContact CH2-CG 3.87Å; W396-R408 HydrophobicContact CZ2-CG 3.96Å; W396-R408 VanDerWaalsContact CZ2-NE 3.28Å; W396-R408 HydrophobicContact CZ3-CB 4.39Å; W396-R408 HydrophobicContact CZ3-CG 3.82Å; R408-K422 CarbonylContact O-C 3.5Å; R408-K422 WeakPolarHBondContact O-CA 3.11Å; R408-E423 HydrophobicContact CG-CB 4.01Å; R408-E423 IonicContact CZ-OE1 3.72Å; R408-E423 IonicContact CZ-OE2 2.74Å; R408-E423 PolarHBondContact N-O 2.83Å; R408-E423 IonicContact NE-OE1 3.19Å; R408-E423 IonicContact NE-OE2 2.97Å; R408-E423 PolarHBondContact NE-OE2 2.85Å; R408-E423 IonicContact NH2-OE1 2.63Å; R408-E423 PolarHBondContact NH2-OE1 2.84Å; R408-E423 IonicContact NH2-OE2 2.89Å; R408-E423 PolarHBondContact NH2-OE2 2.02Å; R408-E423 PolarHBondContact O-N 2.79Å
409	Y	86.3	Confident	76.4	Confident	2 Å²	2	65 Å²	65	1%	0.008	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	141.8	-177.7	-69.9	-94.3	0	0	0	110.9	V299 E335 W393 T394 V407 V417 R418 K422	V299-Y409 HydrophobicContact CB-CD2 3.85Å; V299-Y409 HydrophobicContact CB-CE2 3.79Å; V299-Y409 HydrophobicContact CG1-CD2 4.36Å; V299-Y409 HydrophobicContact CG1-CE2 3.83Å; V299-Y409 HydrophobicContact CG2-CD2 3.64Å; V299-Y409 HydrophobicContact CG2-CE2 3.96Å; V299-Y409 HydrophobicContact CG2-CG 4.44Å; E335-Y409 PolarHBondContact OE1-OH 2.77Å; E335-Y409 PolarHBondContact OE2-OH 2.91Å; E335-Y409 VanDerWaalsContact OE2-OH 3.07Å; W393-Y409 CarbonylContact C-O 3.4Å; W393-Y409 VanDerWaalsContact CA-O 3.26Å; W393-Y409 WeakPolarHBondContact CA-O 3.19Å; T394-Y409 PolarHBondContact N-O 2.79Å; T394-Y409 PolarHBondContact OG1-N 2.84Å; V407-Y409 HydrophobicContact CG2-CE2 4.37Å; Y409-V417 VanDerWaalsContact CD1-O 3.22Å; Y409-V417 WeakPolarHBondContact CD1-O 3.33Å; Y409-R418 VanDerWaalsContact CE1-CA 3.41Å; Y409-R418 HydrophobicContact CE1-CB 4.09Å; Y409-R418 HydrophobicContact CE1-CG 4.44Å; Y409-R418 WeakPolarHBondContact CE1-O 3.38Å; Y409-K422 HydrophobicContact CD1-CB 3.52Å; Y409-K422 HydrophobicContact CD1-CD 4.38Å; Y409-K422 HydrophobicContact CE1-CB 3.52Å; Y409-K422 HydrophobicContact CE1-CD 3.5Å; Y409-K422 HydrophobicContact CE1-CG 4.13Å; Y409-K422 HydrophobicContact CG-CB 4.13Å
410	R	81	Confident	76.7	Confident	111 Å²	111	62.1 Å²	62.1	42%	0.419	32%	0.322	S	S	.	.	B	Isolated β-bridge	trans	-73.7	134.7	173.4	-166.6	-178.2	174.1	152.7	0.7	108.8	L392 W393 C412 C420 P421	L392-R410 CarbonylContact O-C 3.44Å; L392-R410 VanDerWaalsContact O-CA 3.22Å; L392-R410 WeakPolarHBondContact O-CA 3.43Å; L392-R410 WeakPolarHBondContact O-CG 3.43Å; W393-R410 HydrophobicContact CD2-CB 4.16Å; W393-R410 HydrophobicContact CD2-CG 4.41Å; W393-R410 HydrophobicContact CE3-CB 3.89Å; W393-R410 VanDerWaalsContact CE3-N 3.26Å; W393-R410 HydrophobicContact CH2-CB 3.88Å; W393-R410 HydrophobicContact CH2-CG 4.45Å; W393-R410 HydrophobicContact CZ2-CB 4.16Å; W393-R410 HydrophobicContact CZ2-CG 4.23Å; W393-R410 HydrophobicContact CZ3-CB 3.75Å; R410-C412 PolarHBondContact O-N 2.04Å; R410-C420 WeakPolarHBondContact O-CB 3.43Å; R410-C420 PolarHBondContact O-SG 2.88Å; R410-P421 HydrophobicContact CB-CB 4.24Å; R410-P421 WeakPolarHBondContact CB-O 3.48Å; R410-P421 PolarHBondContact N-O 2.83Å
411	T	68.8	Low	77.4	Confident	51 Å²	51	64.5 Å²	64.5	31%	0.313	34%	0.338	S	S	.	.			trans	-65.3	124.2	173.3	41.2	0	0	0	0	109.7	G391 L392	G391-T411 PolarHBondContact O-OG1 3.26Å; L392-T411 VanDerWaalsContact C-OG1 3.25Å; L392-T411 WeakPolarHBondContact CA-OG1 3.39Å; L392-T411 PolarHBondContact O-N 2.98Å; L392-T411 PolarHBondContact O-OG1 2.7Å
412	C	72.5	Confident	78.6	Confident	53 Å²	53	63.2 Å²	63.2	36%	0.358	32%	0.316	S	S	.	.			trans	-140.8	-173.9	-177.7	89.5	0	0	0	0	111.9	R410 C420	R410-C412 PolarHBondContact O-N 2.04Å; C412-C420 HydrophobicContact CB-CB 3.76Å; C412-C420 WeakPolarHBondContact CB-SG 3.49Å; C412-C420 VanDerWaalsContact SG-CA 3.52Å; C412-C420 WeakPolarHBondContact SG-CB 3.16Å; C412-C420 CovalentContact SG-SG 2.03Å; C412-C420 PolarHBondContact SG-SG 2.85Å
413	R	66.7	Low	79.7	Confident	200 Å²	200	62 Å²	62	76%	0.755	30%	0.301	S	S	*	.	S	Bend	trans	-96.1	6.8	-175.2	-75.3	-177.3	171.2	166.5	-4	114.8
414	D	75.5	Confident	80.6	Confident	69 Å²	69	62.6 Å²	62.6	37%	0.369	30%	0.304	S	S	.	.	S	Bend	trans	-71.6	159.3	175.1	-151.9	-71.6	0	0	0	110.9	V293 D416 N419	V293-D414 VanDerWaalsContact CG1-O 3.3Å; V293-D414 WeakPolarHBondContact CG1-O 3.04Å; D414-D416 PolarHBondContact OD1-N 2.84Å; D414-N419 HydrophobicContact CB-CB 4.01Å; D414-N419 VanDerWaalsContact CG-CB 3.44Å; D414-N419 PolarHBondContact OD1-ND2 3.23Å
415	K	72.4	Confident	81	Confident	88 Å²	88	60.3 Å²	60.3	38%	0.383	29%	0.29	S	S	.	.	S	Bend	trans	-67.6	-47.7	175.7	-81.8	-160.4	167.6	-157.3	0	110.5	V293 T352 E353	V293-K415 HydrophobicContact CG2-CB 4.23Å; V293-K415 HydrophobicContact CG2-CG 4.1Å; T352-K415 HydrophobicContact CG2-CD 4.25Å; T352-K415 PolarHBondContact OG1-NZ 3.44Å; E353-K415 PolarHBondContact O-NZ 2.9Å
416	D	79	Confident	81.1	Confident	12 Å²	12	62.4 Å²	62.4	6%	0.064	31%	0.305	C	S	.	.	S	Bend	trans	-96.3	120.4	176.5	-175.8	-4	0	0	0	109	D414 R418 N419	D414-D416 PolarHBondContact OD1-N 2.84Å; D416-R418 VanDerWaalsContact CG-NE 3.31Å; D416-R418 PolarHBondContact O-N 2.94Å; D416-R418 VanDerWaalsContact OD1-CB 3.29Å; D416-R418 WeakPolarHBondContact OD1-CB 3.44Å; D416-R418 WeakPolarHBondContact OD1-CG 3.5Å; D416-R418 PolarHBondContact OD1-N 3.05Å; D416-R418 IonicContact OD1-NE 3.94Å; D416-R418 PolarHBondContact OD1-NE 2.8Å; D416-R418 IonicContact OD2-CZ 2.74Å; D416-R418 IonicContact OD2-NE 2.78Å; D416-R418 PolarHBondContact OD2-NE 2.69Å; D416-R418 IonicContact OD2-NH2 2.64Å; D416-R418 PolarHBondContact OD2-NH2 3.18Å; D416-N419 WeakPolarHBondContact O-CB 3.44Å; D416-N419 PolarHBondContact O-N 2.9Å; D416-N419 VanDerWaalsContact O-N 3.08Å
417	V	81.1	Confident	80.6	Confident	16 Å²	16	63.5 Å²	63.5	10%	0.097	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-59.4	-19.4	177.9	80.5	0	0	0	0	112	A296 V299 I338 T394 Y409 N419 C420	A296-V417 HydrophobicContact CB-CB 4.01Å; A296-V417 HydrophobicContact CB-CG1 3.85Å; A296-V417 HydrophobicContact CB-CG2 4.11Å; V299-V417 HydrophobicContact CG2-CG1 3.53Å; I338-V417 HydrophobicContact CD1-CG1 4.03Å; I338-V417 HydrophobicContact CG2-CG1 4.29Å; T394-V417 HydrophobicContact CG2-CG2 4.45Å; Y409-V417 VanDerWaalsContact CD1-O 3.22Å; Y409-V417 WeakPolarHBondContact CD1-O 3.33Å; V417-N419 VanDerWaalsContact C-N 3.26Å; V417-N419 PolarHBondContact O-N 3.46Å; V417-C420 WeakPolarHBondContact O-CB 3.11Å; V417-C420 PolarHBondContact O-N 3.12Å; V417-C420 PolarHBondContact O-SG 2.92Å
418	R	82.2	Confident	79.4	Confident	46 Å²	46	67.4 Å²	67.4	17%	0.174	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-73.7	-18	-179.4	-56.2	174.6	-54.9	156.3	11.5	113.3	V299 D332 E335 I338 Y409 D416 C420	V299-R418 HydrophobicContact CG1-CG 4.3Å; D332-R418 IonicContact OD2-CZ 3.8Å; D332-R418 VanDerWaalsContact OD2-CZ 3.25Å; D332-R418 IonicContact OD2-NH1 3.16Å; D332-R418 PolarHBondContact OD2-NH1 3.34Å; D332-R418 IonicContact OD2-NH2 2.8Å; D332-R418 PolarHBondContact OD2-NH2 2.88Å; E335-R418 WeakPolarHBondContact O-CD 3.36Å; E335-R418 PolarHBondContact O-NH1 3.27Å; I338-R418 HydrophobicContact CD1-CG 4.23Å; Y409-R418 VanDerWaalsContact CE1-CA 3.41Å; Y409-R418 HydrophobicContact CE1-CB 4.09Å; Y409-R418 HydrophobicContact CE1-CG 4.44Å; Y409-R418 WeakPolarHBondContact CE1-O 3.38Å; D416-R418 VanDerWaalsContact CG-NE 3.31Å; D416-R418 PolarHBondContact O-N 2.94Å; D416-R418 VanDerWaalsContact OD1-CB 3.29Å; D416-R418 WeakPolarHBondContact OD1-CB 3.44Å; D416-R418 WeakPolarHBondContact OD1-CG 3.5Å; D416-R418 PolarHBondContact OD1-N 3.05Å; D416-R418 IonicContact OD1-NE 3.94Å; D416-R418 PolarHBondContact OD1-NE 2.8Å; D416-R418 IonicContact OD2-CZ 2.74Å; D416-R418 IonicContact OD2-NE 2.78Å; D416-R418 PolarHBondContact OD2-NE 2.69Å; D416-R418 IonicContact OD2-NH2 2.64Å; D416-R418 PolarHBondContact OD2-NH2 3.18Å; R418-C420 VanDerWaalsContact C-N 3.31Å
419	N	84.3	Confident	77.6	Confident	108 Å²	108	75.9 Å²	75.9	58%	0.578	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-78.4	-14.8	168.5	-65.3	-27.9	0	0	0	112.6	D414 D416 V417	D414-N419 HydrophobicContact CB-CB 4.01Å; D414-N419 VanDerWaalsContact CG-CB 3.44Å; D414-N419 PolarHBondContact OD1-ND2 3.23Å; D416-N419 WeakPolarHBondContact O-CB 3.44Å; D416-N419 PolarHBondContact O-N 2.9Å; D416-N419 VanDerWaalsContact O-N 3.08Å; V417-N419 VanDerWaalsContact C-N 3.26Å; V417-N419 PolarHBondContact O-N 3.46Å
420	C	84.3	Confident	75.5	Confident	7 Å²	7	79.7 Å²	79.7	5%	0.047	40%	0.395	C	S	.	.	S	Bend	trans	-73.6	158.1	177.6	-57	0	0	0	0	112.1	R410 C412 V417 R418 K422	R410-C420 WeakPolarHBondContact O-CB 3.43Å; R410-C420 PolarHBondContact O-SG 2.88Å; C412-C420 HydrophobicContact CB-CB 3.76Å; C412-C420 WeakPolarHBondContact CB-SG 3.49Å; C412-C420 VanDerWaalsContact SG-CA 3.52Å; C412-C420 WeakPolarHBondContact SG-CB 3.16Å; C412-C420 CovalentContact SG-SG 2.03Å; C412-C420 PolarHBondContact SG-SG 2.85Å; V417-C420 WeakPolarHBondContact O-CB 3.11Å; V417-C420 PolarHBondContact O-N 3.12Å; V417-C420 PolarHBondContact O-SG 2.92Å; R418-C420 VanDerWaalsContact C-N 3.31Å; C420-K422 PolarHBondContact O-N 3.26Å
421	P	85.5	Confident	73.4	Confident	81 Å²	81	82.9 Å²	82.9	53%	0.526	42%	0.415	S	S	.	.			trans	-54.2	128.6	176.5	-26.1	34.6	0	0	0	112.2	R410	R410-P421 HydrophobicContact CB-CB 4.24Å; R410-P421 WeakPolarHBondContact CB-O 3.48Å; R410-P421 PolarHBondContact N-O 2.83Å
422	K	87	Confident	71.7	Confident	98 Å²	98	87 Å²	87	43%	0.426	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	150.8	-176.4	81.8	178.5	-172.7	168.6	0	113.8	E335 R408 Y409 C420	E335-K422 IonicContact OE1-NZ 2.66Å; E335-K422 PolarHBondContact OE1-NZ 2.78Å; E335-K422 IonicContact OE2-NZ 2.78Å; E335-K422 PolarHBondContact OE2-NZ 2.79Å; R408-K422 CarbonylContact O-C 3.5Å; R408-K422 WeakPolarHBondContact O-CA 3.11Å; Y409-K422 HydrophobicContact CD1-CB 3.52Å; Y409-K422 HydrophobicContact CD1-CD 4.38Å; Y409-K422 HydrophobicContact CE1-CB 3.52Å; Y409-K422 HydrophobicContact CE1-CD 3.5Å; Y409-K422 HydrophobicContact CE1-CG 4.13Å; Y409-K422 HydrophobicContact CG-CB 4.13Å; C420-K422 PolarHBondContact O-N 3.26Å
423	E	88	Confident	69.6	Low	66 Å²	66	93.2 Å²	93.2	31%	0.308	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	147.3	169.3	-74.9	178.6	-162.2	0	0	110.7	W393 W396 V407 R408	W393-E423 HydrophobicContact CH2-CG 3.71Å; W393-E423 HydrophobicContact CZ2-CG 4.47Å; W393-E423 WeakPolarHBondContact CZ2-OE1 3.47Å; W393-E423 HydrophobicContact CZ3-CB 4.31Å; W393-E423 HydrophobicContact CZ3-CG 3.81Å; W396-E423 HydrophobicContact CH2-CB 3.88Å; W396-E423 WeakPolarHBondContact CH2-OE2 3.31Å; W396-E423 HydrophobicContact CZ3-CB 4.35Å; V407-E423 VanDerWaalsContact CA-O 3.29Å; V407-E423 WeakPolarHBondContact CA-O 3.25Å; R408-E423 HydrophobicContact CG-CB 4.01Å; R408-E423 IonicContact CZ-OE1 3.72Å; R408-E423 IonicContact CZ-OE2 2.74Å; R408-E423 PolarHBondContact N-O 2.83Å; R408-E423 IonicContact NE-OE1 3.19Å; R408-E423 IonicContact NE-OE2 2.97Å; R408-E423 PolarHBondContact NE-OE2 2.85Å; R408-E423 IonicContact NH2-OE1 2.63Å; R408-E423 PolarHBondContact NH2-OE1 2.84Å; R408-E423 IonicContact NH2-OE2 2.89Å; R408-E423 PolarHBondContact NH2-OE2 2.02Å; R408-E423 PolarHBondContact O-N 2.79Å
424	T	86	Confident	67.8	Low	87 Å²	87	93.5 Å²	93.5	53%	0.534	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	127.1	176.2	-53.6	0	0	0	0	109.3	V407	V407-T424 HydrophobicContact CG1-CG2 3.95Å
425	R	82.6	Confident	65.8	Low	84 Å²	84	98.1 Å²	98.1	32%	0.317	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	143.7	173.5	68.1	-175.2	176.5	160.1	4.4	110.3	W396 S405 S406	W396-R425 VanDerWaalsContact CB-NH2 3.34Å; W396-R425 HydrophobicContact CD2-CG 4.47Å; W396-R425 VanDerWaalsContact CD2-NE 3.34Å; W396-R425 HydrophobicContact CE3-CG 3.86Å; W396-R425 HydrophobicContact CH2-CB 3.99Å; W396-R425 HydrophobicContact CH2-CG 3.94Å; W396-R425 HydrophobicContact CZ3-CB 4Å; W396-R425 HydrophobicContact CZ3-CG 3.57Å; S405-R425 CarbonylContact C-O 3.36Å; S405-R425 VanDerWaalsContact CA-O 3.29Å; S405-R425 WeakPolarHBondContact CA-O 3.38Å; S406-R425 PolarHBondContact N-O 2.92Å; S406-R425 WeakPolarHBondContact O-CG 3.37Å; S406-R425 PolarHBondContact O-N 2.02Å; S406-R425 PolarHBondContact OG-NE 3.41Å; S406-R425 PolarHBondContact OG-NH2 3.49Å; S406-R425 VanDerWaalsContact OG-NH2 3.08Å
426	S	80.6	Confident	63.8	Low	64 Å²	64	99.8 Å²	99.8	45%	0.448	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	139.6	167.9	177.9	0	0	0	0	110.2	E404 S428	E404-S426 WeakPolarHBondContact O-CA 3.22Å; S426-S428 VanDerWaalsContact C-N 3.27Å; S426-S428 PolarHBondContact O-N 2.98Å; S426-S428 PolarHBondContact OG-N 2.66Å; S426-S428 PolarHBondContact OG-OG 2.72Å
427	C	73.7	Confident	61.5	Low	23 Å²	23	105.4 Å²	105.4	16%	0.155	54%	0.539	C	S	.	.	S	Bend	trans	-78.1	-10.2	-179.7	-68.3	0	0	0	0	113.8	C399 E404 R429 V430	C399-C427 VanDerWaalsContact CA-SG 3.55Å; C399-C427 HydrophobicContact CB-CB 3.81Å; C399-C427 WeakPolarHBondContact CB-SG 3.31Å; C399-C427 WeakPolarHBondContact SG-CB 3.46Å; C399-C427 CovalentContact SG-SG 2.02Å; C399-C427 PolarHBondContact SG-SG 2.75Å; E404-C427 WeakPolarHBondContact O-CB 3.4Å; E404-C427 PolarHBondContact O-N 2.93Å; C427-R429 PolarHBondContact O-N 3.04Å; C427-V430 PolarHBondContact O-N 2.69Å
428	S	61.2	Low	59.2	Low	91 Å²	91	111.4 Å²	111.4	64%	0.636	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	5.7	175.9	60.1	0	0	0	0	116.1	S426	S426-S428 VanDerWaalsContact C-N 3.27Å; S426-S428 PolarHBondContact O-N 2.98Å; S426-S428 PolarHBondContact OG-N 2.66Å; S426-S428 PolarHBondContact OG-OG 2.72Å
429	R	50.7	Low	57	Low	236 Å²	236	117.1 Å²	117.1	89%	0.891	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.3	9	173.1	-74.8	-169.4	175.5	-179.2	1.3	114.8	C427	C427-R429 PolarHBondContact O-N 3.04Å
430	V	42.3	Very low	54.4	Low	83 Å²	83	116.3 Å²	116.3	50%	0.503	60%	0.604	S	S	.	*			trans	-115.3	61.7	-177.4	-165.4	0	0	0	0	110.5	C427	C427-V430 PolarHBondContact O-N 2.69Å
431	Q	37.4	Very low	52.1	Low	177 Å²	177	124.6 Å²	124.6	83%	0.827	64%	0.642	S	S	*	*			trans	-115.7	116	166.9	-82.6	-171	-24.7	0	0	110.9
432	I	32.1	Very low	49.7	Very low	138 Å²	138	127.3 Å²	127.3	71%	0.708	66%	0.661	S	S	*	*			trans	61.1	96.1	153.1	-45.7	168	0	0	0	116.2
433	H	29.6	Very low	47	Very low	183 Å²	183	127.8 Å²	127.8	85%	0.847	68%	0.677	S	S	*	*			trans	-142.3	43.3	146.1	-152.1	-75.6	0	0	0	112.9
434	F	29.2	Very low	44.5	Very low	207 Å²	207	132.7 Å²	132.7	91%	0.908	70%	0.704	S	S	*	*			trans	-112.5	93.5	163.7	-97.9	-89.4	0	0	0	108.1
435	Q	32.7	Very low	41.9	Very low	166 Å²	166	134.9 Å²	134.9	78%	0.776	72%	0.717	S	S	*	*			trans	-113.2	123.5	170.4	-162	75.6	24.3	0	0	107.9
436	C	31.2	Very low	39.5	Very low	122 Å²	122	134.6 Å²	134.6	82%	0.824	73%	0.732	S	S	*	*			trans	-68.6	139.9	-176.5	-61.8	0	0	0	0	112.1
437	V	29.9	Very low	37.2	Very low	130 Å²	130	137.1 Å²	137.1	79%	0.788	75%	0.75	S	S	*	*			trans	-77	156.4	148.6	-174	0	0	0	0	107.7
438	I	31.8	Very low	35.4	Very low	142 Å²	142	140.9 Å²	140.9	73%	0.728	78%	0.776	S	S	*	*	S	Bend	trans	96.9	105.4	174	-50.9	-63.8	0	0	0	115
439	I	36.3	Very low	34.2	Very low	166 Å²	166	142.7 Å²	142.7	85%	0.851	78%	0.784	S	S	*	*			trans	69	170.5	170.7	3.3	-175.6	0	0	0	119.4
440	S	30.8	Very low	33.1	Very low	91 Å²	91	139.7 Å²	139.7	64%	0.636	78%	0.784	S	S	*	*			trans	-109.7	162.3	-140.1	51.1	0	0	0	0	115.8
441	E	34.4	Very low	32.7	Very low	182 Å²	182	140.8 Å²	140.8	85%	0.85	79%	0.794	S	S	*	*			trans	59.2	96.4	154.8	-71.7	172.4	-155.6	0	0	119.1
442	C	36.3	Very low	32.4	Very low	137 Å²	137	138.5 Å²	138.5	93%	0.926	79%	0.792	S	S	*	*				-158.4	131.6	127.1	-108.9	0	0	0	0	111.3
443	S	30.3	Very low	32.3	Very low	109 Å²	109	141.7 Å²	141.7	76%	0.762	80%	0.8	S	S	*	*			trans	-120.7	135	-179.9	-65.4	0	0	0	0	110.3
444	I	35.1	Very low	32.4	Very low	169 Å²	169	138.9 Å²	138.9	87%	0.867	80%	0.799	S	S	*	*			trans	-159.3	89.1	156.4	-96.5	140.3	0	0	0	109.7
445	V	32.2	Very low	32.4	Very low	133 Å²	133	134.5 Å²	134.5	81%	0.806	79%	0.794	S	S	*	*				15.1	132.3	117.9	-176.9	0	0	0	0	115.9
446	A	31	Very low	32.3	Very low	77 Å²	77	131.7 Å²	131.7	64%	0.636	80%	0.799	S	S	*	*			cis	-170.9	173.1	-2.8	0	0	0	0	0	112.9
447	S	32.7	Very low	32.3	Very low	118 Å²	118	129.7 Å²	129.7	83%	0.825	80%	0.799	S	S	*	*			trans	67	135	151.3	-64.6	0	0	0	0	118.8
448	S	35.4	Very low	32.4	Very low	101 Å²	101	133.7 Å²	133.7	71%	0.706	80%	0.8	S	S	*	*			cis	-163.6	152.5	42.1	39	0	0	0	0	115.3
449	T	36.4	Very low	32.5	Very low	129 Å²	129	132.9 Å²	132.9	79%	0.791	79%	0.791	S	S	*	*			trans	46.8	103.5	150.7	53.5	0	0	0	0	121.4
450	L	28	Very low	32.6	Very low	173 Å²	173	130.8 Å²	130.8	91%	0.906	79%	0.789	S	S	*	*			trans	-76.1	149.9	148.3	-82.6	162.2	0	0	0	111.7
451	P	33.7	Very low	32.9	Very low	107 Å²	107	132.2 Å²	132.2	70%	0.695	79%	0.789	S	S	*	*			trans	-129.7	120.1	147.3	33.8	-20.9	0	0	0	114
452	T	32	Very low	33.1	Very low	128 Å²	128	131.3 Å²	131.3	79%	0.785	79%	0.79	S	S	*	*			trans	23.9	128.7	144.3	54.7	0	0	0	0	121.8
453	K	28.9	Very low	33.2	Very low	205 Å²	205	130.7 Å²	130.7	89%	0.891	78%	0.777	S	S	*	*			trans	-50	149	159.3	-72.4	175.2	174.6	172.7	0	113.2
454	P	31.6	Very low	33.5	Very low	125 Å²	125	131 Å²	131	81%	0.812	77%	0.77	S	S	*	*				-120.8	-175.2	127.1	36.6	-31.7	0	0	0	112.6
455	S	30.2	Very low	33.5	Very low	115 Å²	115	132.5 Å²	132.5	80%	0.804	77%	0.765	S	S	*	*			trans	-110	148.7	-166.9	-58.5	0	0	0	0	114.7
456	A	29.3	Very low	33.8	Very low	107 Å²	107	134 Å²	134	88%	0.884	76%	0.76	S	S	*	*			trans	53.4	109.9	150.4	0	0	0	0	0	120.4
457	G	32.4	Very low	34	Very low	80 Å²	80	140.9 Å²	140.9	83%	0.825	77%	0.77	S	S	*	*			trans	-121.6	163	154.9	0	0	0	0	0	110.6
458	R	31.6	Very low	34.2	Very low	214 Å²	214	143.2 Å²	143.2	81%	0.808	77%	0.765	S	S	*	*			trans	-158.5	151.2	-165.8	-157.7	-175.7	-174.3	-165.2	1.3	114
459	F	33.4	Very low	34.2	Very low	124 Å²	124	145.7 Å²	145.7	54%	0.544	76%	0.763	S	S	.	*			trans	69.2	164.5	165.7	-73.4	-50.6	0	0	0	117.4	D461	F459-D461 HydrophobicContact CD1-CB 4.24Å; F459-D461 WeakPolarHBondContact CD1-OD2 3.28Å; F459-D461 WeakPolarHBondContact CE1-OD1 3.37Å; F459-D461 WeakPolarHBondContact CE1-OD2 3.49Å
460	P	38.9	Very low	34.3	Very low	123 Å²	123	145.5 Å²	145.5	80%	0.799	76%	0.757	S	S	*	*			cis	-86.7	155.2	1.3	-3.1	25.2	0	0	0	113.5
461	D	37.5	Very low	34.6	Very low	120 Å²	120	145.5 Å²	145.5	64%	0.642	75%	0.753	S	S	*	*			cis	71.1	115.7	46.8	-86.3	-30.2	0	0	0	114.8	F459	F459-D461 HydrophobicContact CD1-CB 4.24Å; F459-D461 WeakPolarHBondContact CD1-OD2 3.28Å; F459-D461 WeakPolarHBondContact CE1-OD1 3.37Å; F459-D461 WeakPolarHBondContact CE1-OD2 3.49Å
462	D	37.3	Very low	35.1	Very low	163 Å²	163	144.4 Å²	144.4	87%	0.872	75%	0.745	S	S	*	*			trans	-148.9	127.2	133.9	-132.4	-18.4	0	0	0	115.1
463	D	38.3	Very low	35.3	Very low	124 Å²	124	145.3 Å²	145.3	66%	0.663	74%	0.74	S	S	*	*			trans	59	145.7	159.8	-130.5	1	0	0	0	128.1
464	L	36.7	Very low	35.8	Very low	115 Å²	115	142 Å²	142	60%	0.602	74%	0.737	S	S	*	*			trans	73.7	77.7	158.1	-54.5	-177	0	0	0	122.8
465	R	36.5	Very low	35.9	Very low	202 Å²	202	145 Å²	145	76%	0.762	73%	0.732	S	S	*	*				58.6	132.7	112.7	-71.4	171.5	-177.1	163.6	-0.4	119
466	K	37.4	Very low	36.2	Very low	164 Å²	164	151 Å²	151	71%	0.713	74%	0.737	S	S	*	*			cis	-171.3	136.6	33.8	-114.9	154.9	-177.9	174	0	111.4
467	R	36.5	Very low	36.7	Very low	221 Å²	221	154.1 Å²	154.1	83%	0.834	73%	0.733	S	S	*	*			trans	60.5	141.7	137.4	-69.4	-179.7	-179.4	-168.5	-0.8	119.8
468	K	35.5	Very low	36.8	Very low	167 Å²	167	153.8 Å²	153.8	73%	0.726	73%	0.73	S	S	*	*			cis	-169.3	143	-3.5	-142.9	-168.7	-177.9	-171.2	0	110.7
469	K	35.4	Very low	37.1	Very low	154 Å²	154	147.4 Å²	147.4	67%	0.67	72%	0.723	S	S	*	*			trans	57.4	153.2	148	-83.1	179.1	148.9	-76.2	0	119.5
470	D	39.6	Very low	37.3	Very low	124 Å²	124	152.8 Å²	152.8	66%	0.663	74%	0.741	S	S	*	*			cis	-140.5	-174.7	4.5	-112	-40.3	0	0	0	112.8
471	Q	34.9	Very low	37.1	Very low	174 Å²	174	150.7 Å²	150.7	81%	0.813	74%	0.741	S	S	*	*			trans	-144.9	-167.2	-162.1	-104.7	-163.4	7.1	0	0	111.3
472	P	42.4	Very low	37	Very low	83 Å²	83	149 Å²	149	54%	0.539	75%	0.752	S	S	.	*				-144.2	-162.6	-54	44.1	-25.9	0	0	0	114.9
473	H	37.3	Very low	36.9	Very low	148 Å²	148	145 Å²	145	69%	0.685	75%	0.75	S	S	*	*			trans	73.5	160.8	157.2	-64.1	-26.1	0	0	0	118.9
474	V	38.6	Very low	36.7	Very low	136 Å²	136	144.9 Å²	144.9	82%	0.824	76%	0.759	S	S	*	*			cis	-141.1	147.6	13.4	-177.9	0	0	0	0	109
475	R	35.2	Very low	36.8	Very low	187 Å²	187	148.8 Å²	148.8	71%	0.706	78%	0.776	S	S	*	*			cis	106.9	85.2	1.1	-164.9	-160	174.2	-163.9	-2.8	118.8
476	R	36.6	Very low	36.7	Very low	241 Å²	241	144.2 Å²	144.2	91%	0.909	78%	0.782	S	S	*	*			trans	172.1	169	156.2	-98.6	166.4	-178.6	-169.4	1.5	112
477	H	38.8	Very low	36.6	Very low	172 Å²	172	140.3 Å²	140.3	80%	0.796	79%	0.789	S	S	*	*				-177.1	143.2	-54.5	-116.9	-67.2	0	0	0	112.4
478	G	34.8	Very low	36.6	Very low	73 Å²	73	134.7 Å²	134.7	75%	0.753	79%	0.789	S	S	*	*			trans	108.2	163.8	150.2	0	0	0	0	0	118
479	A	37.1	Very low	36.6	Very low	80 Å²	80	132.5 Å²	132.5	66%	0.661	80%	0.795	S	S	*	*			cis	172.7	159.5	-34.9	0	0	0	0	0	110.4
480	Y	37.8	Very low	36.7	Very low	238 Å²	238	128.9 Å²	128.9	93%	0.933	80%	0.802	S	S	*	*			trans	67.5	149.5	178.6	-55.1	-90.4	0	0	0	115.4
481	G	35.8	Very low	36.5	Very low	78 Å²	78	128.4 Å²	128.4	80%	0.804	81%	0.808	S	S	*	*			cis	123.2	138.4	-3.5	0	0	0	0	0	112.9
482	G	35.4	Very low	36.5	Very low	84 Å²	84	124.2 Å²	124.2	87%	0.866	80%	0.803	S	S	*	*			cis	155.8	146.4	-3.1	0	0	0	0	0	111.5
483	G	33.8	Very low	36.2	Very low	81 Å²	81	131.8 Å²	131.8	84%	0.835	82%	0.822	S	S	*	*			trans	-177.4	158.6	-178.8	0	0	0	0	0	117.1
484	S	34.1	Very low	36.1	Very low	121 Å²	121	128.6 Å²	128.6	85%	0.846	83%	0.83	S	S	*	*			trans	-120.8	170.5	-175.3	-43.1	0	0	0	0	112.2
485	M	38.9	Very low	35.8	Very low	196 Å²	196	126.3 Å²	126.3	97%	0.966	83%	0.833	S	S	*	*			trans	-171	169.8	137.1	-98.8	-54.9	172.5	0	0	110.4
486	A	35	Very low	35.8	Very low	107 Å²	107	121 Å²	121	88%	0.884	84%	0.838	S	S	*	*			trans	-131.8	173.2	-166.2	0	0	0	0	0	114.6
487	G	35.1	Very low	35.6	Very low	82 Å²	82	115.5 Å²	115.5	85%	0.845	84%	0.836	S	S	*	*			trans	-164.7	148.5	171.9	0	0	0	0	0	112.7
488	A	36	Very low	35.5	Very low	103 Å²	103	116.5 Å²	116.5	85%	0.851	84%	0.843	S	S	*	*			trans	-115	-167	-179.9	0	0	0	0	0	110.2
489	S	36.2	Very low	35.4	Very low	120 Å²	120	117.7 Å²	117.7	84%	0.839	85%	0.846	S	S	*	*			cis	-173.6	159.8	10.2	43.4	0	0	0	0	109.3
490	G	36.6	Very low	35	Very low	79 Å²	79	117.3 Å²	117.3	81%	0.814	85%	0.85	S	S	*	*			trans	169.5	132.2	161.9	0	0	0	0	0	119.1
491	S	37.1	Very low	34.9	Very low	113 Å²	113	114.8 Å²	114.8	79%	0.79	85%	0.85	S	S	*	*			trans	-59.9	157.9	176.4	-44.6	0	0	0	0	115.1
492	A	33.2	Very low	34.8	Very low	86 Å²	86	115.4 Å²	115.4	71%	0.711	84%	0.842	S	S	*	*			cis	84.9	120.2	24.6	0	0	0	0	0	117.2
493	Y	37	Very low	34.6	Very low	242 Å²	242	118 Å²	118	95%	0.949	84%	0.836	S	S	*	*			trans	-175.5	132.8	158.3	-100.1	-62.3	0	0	0	114.7
494	G	35.5	Very low	34.8	Very low	82 Å²	82	120.1 Å²	120.1	85%	0.845	84%	0.838	S	S	*	*			trans	65.6	150.2	152.6	0	0	0	0	0	120.9
495	G	32.7	Very low	34.6	Very low	87 Å²	87	120.1 Å²	120.1	90%	0.897	83%	0.833	S	S	*	*			cis	136.8	107.9	-11.8	0	0	0	0	0	115
496	G	34.2	Very low	34.4	Very low	77 Å²	77	122.1 Å²	122.1	79%	0.794	83%	0.832	S	S	*	*			trans	177.5	148.7	174.1	0	0	0	0	0	115.2
497	S	31.6	Very low	34.3	Very low	124 Å²	124	121 Å²	121	87%	0.867	82%	0.823	S	S	*	*			trans	-155.3	177.5	-178.4	-71.6	0	0	0	0	111.5
498	M	36.9	Very low	34.1	Very low	194 Å²	194	121 Å²	121	96%	0.956	82%	0.822	S	S	*	*			trans	91.4	148.8	-172.7	-60.1	-168.9	-171.6	0	0	114.6
499	A	33	Very low	34	Very low	98 Å²	98	121.1 Å²	121.1	81%	0.81	82%	0.824	S	S	*	*			cis	-159.2	172	-20.6	0	0	0	0	0	108.5
500	G	29.2	Very low	33.6	Very low	72 Å²	72	121.1 Å²	121.1	74%	0.742	82%	0.823	S	S	*	*			trans	-93	173.4	-179	0	0	0	0	0	115
501	I	35.5	Very low	33.6	Very low	184 Å²	184	124 Å²	124	94%	0.944	83%	0.826	S	S	*	*			trans	-159.2	166.2	160.3	-106	155.7	0	0	0	109
502	S	33.8	Very low	33.3	Very low	91 Å²	91	126.6 Å²	126.6	64%	0.636	83%	0.83	S	S	*	*			trans	-113.4	172.4	-153.3	62.2	0	0	0	0	116.9
503	D	31.2	Very low	33.5	Very low	139 Å²	139	126 Å²	126	74%	0.743	83%	0.833	S	S	*	*			trans	49.5	132.4	149.8	-59.7	-43.1	0	0	0	122.3
504	S	37.3	Very low	33.1	Very low	125 Å²	125	117.9 Å²	117.9	87%	0.874	82%	0.822	S	S	*	*				-161.6	133.2	114.8	17.1	0	0	0	0	112.7
505	T	30.2	Very low	33.1	Very low	121 Å²	121	123.4 Å²	123.4	74%	0.742	83%	0.829	S	S	*	*			trans	-86.7	146.5	173.3	-48.5	0	0	0	0	110.4
506	Y	34.6	Very low	33	Very low	239 Å²	239	128.3 Å²	128.3	94%	0.937	83%	0.828	S	S	*	*			trans	-139.2	152.2	150.9	-121.9	-87.1	0	0	0	111.2
507	A	33.2	Very low	32.9	Very low	84 Å²	84	130.7 Å²	130.7	69%	0.694	83%	0.833	S	S	*	*			trans	-126.9	149.1	-158.3	0	0	0	0	0	114.4
508	G	30.8	Very low	33	Very low	80 Å²	80	128.3 Å²	128.3	83%	0.825	83%	0.828	S	S	*	*			trans	65	119.3	130.4	0	0	0	0	0	120.4
509	A	33.9	Very low	32.6	Very low	107 Å²	107	130.9 Å²	130.9	88%	0.884	83%	0.829	S	S	*	*			trans	-150.7	140.2	135.9	0	0	0	0	0	109.6
510	S	28.9	Very low	32.6	Very low	119 Å²	119	130.1 Å²	130.1	83%	0.832	83%	0.83	S	S	*	*			trans	-128.9	138.6	166.8	-179.2	0	0	0	0	107.8
511	T	36.7	Very low	32.6	Very low	141 Å²	141	130.7 Å²	130.7	87%	0.865	84%	0.837	S	S	*	*			trans	-133.8	121.9	170.3	38.9	0	0	0	0	110.1
512	D	31.2	Very low	32.4	Very low	166 Å²	166	125.9 Å²	125.9	89%	0.888	83%	0.833	S	S	*	*			trans	-81.6	161.5	175.6	-165.3	-1	0	0	0	110.7
513	G	36.9	Very low	32.1	Very low	75 Å²	75	128.1 Å²	128.1	77%	0.773	84%	0.842	S	S	*	*			trans	-169.9	52.8	-168.1	0	0	0	0	0	114.8
514	G	28.8	Very low	32.3	Very low	70 Å²	70	127.6 Å²	127.6	72%	0.722	85%	0.85	S	S	*	*			trans	-75.3	154.2	177.3	0	0	0	0	0	115.2
515	M	33.6	Very low	31.9	Very low	199 Å²	199	129 Å²	129	98%	0.98	85%	0.847	S	S	*	*			trans	-133.4	144.2	160.1	-82.5	-166.5	167.8	0	0	110.4
516	Q	30.9	Very low	32.1	Very low	189 Å²	189	130.1 Å²	130.1	88%	0.883	85%	0.854	S	S	*	*			trans	-110.7	170.7	-175.2	-72.5	-176	-17.6	0	0	112.9
517	S	32.6	Very low	31.9	Very low	128 Å²	128	122.2 Å²	122.2	90%	0.895	85%	0.845	S	S	*	*			trans	108.6	143.6	152.6	79.8	0	0	0	0	117.2
518	G	34	Very low	31.4	Very low	74 Å²	74	130.1 Å²	130.1	76%	0.763	86%	0.859	S	S	*	*			trans	151.7	75.5	-177.3	0	0	0	0	0	113.1
519	Y	28.6	Very low	31.4	Very low	247 Å²	247	129.9 Å²	129.9	97%	0.969	86%	0.857	S	S	*	*			trans	-66.4	151.4	176.7	-87.1	-107.4	0	0	0	112.7
520	G	33.3	Very low	31.1	Very low	82 Å²	82	134.3 Å²	134.3	85%	0.845	86%	0.859	S	S	*	*			trans	170.2	78.3	167.5	0	0	0	0	0	115
521	G	27.6	Very low	31	Very low	85 Å²	85	135.6 Å²	135.6	88%	0.876	86%	0.862	S	S	*	*			trans	-95.3	148.1	172.6	0	0	0	0	0	112.7
522	G	32.1	Very low	30.6	Very low	83 Å²	83	137.5 Å²	137.5	86%	0.856	86%	0.861	S	S	*	*			trans	-163	111.9	175.2	0	0	0	0	0	112.5
523	T	27.7	Very low	30.2	Very low	137 Å²	137	135.9 Å²	135.9	84%	0.84	86%	0.857	S	S	*	*			trans	-107.3	143.9	-179.7	47.8	0	0	0	0	111.6
524	S	34.8	Very low	29.9	Very low	128 Å²	128	138 Å²	138	90%	0.895	86%	0.857	S	S	*	*			trans	-156.7	144.1	163.8	-70	0	0	0	0	110.3
525	D	29.3	Very low	29.8	Very low	154 Å²	154	140.2 Å²	140.2	82%	0.824	86%	0.856	S	S	*	*			trans	-89.2	-177.8	-168.9	-87.7	-70.3	0	0	0	115.5
526	T	33.8	Very low	29.4	Very low	145 Å²	145	141.4 Å²	141.4	89%	0.89	85%	0.851	S	S	*	*			trans	95.8	134.4	166.3	72.8	0	0	0	0	116.6
527	G	30.6	Very low	29.2	Very low	73 Å²	73	135.8 Å²	135.8	75%	0.753	84%	0.844	S	S	*	*			cis	-168.8	160.8	-4.9	0	0	0	0	0	112.3
528	Y	24.4	Very low	29.1	Very low	250 Å²	250	138.8 Å²	138.8	98%	0.98	84%	0.844	S	S	*	*			trans	-70	143.4	-175.6	-81.8	-100.8	0	0	0	113.5
529	G	30.8	Very low	28.9	Very low	76 Å²	76	140.8 Å²	140.8	78%	0.784	84%	0.843	S	S	*	*			trans	-164.4	115.4	167.9	0	0	0	0	0	112.5
530	Q	26.6	Very low	28.8	Very low	199 Å²	199	133.7 Å²	133.7	93%	0.93	84%	0.835	S	S	*	*			trans	-87	134.7	176.5	-59.5	169.6	-79.4	0	0	110.7
531	V	27.1	Very low	28.7	Very low	146 Å²	146	136.1 Å²	136.1	89%	0.885	84%	0.836	S	S	*	*			trans	-136.7	146.6	160.2	-174.5	0	0	0	0	110.1
532	Q	28.6	Very low	28.8	Very low	182 Å²	182	136.9 Å²	136.9	85%	0.85	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-83	165.9	-160.5	-63	156.7	-26.9	0	0	114.8
533	V	23	Very low	28.9	Very low	132 Å²	132	139.3 Å²	139.3	80%	0.8	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-88.4	128.3	172.1	-176	0	0	0	0	110.7
534	P	29.6	Very low	29.1	Very low	120 Å²	120	141.4 Å²	141.4	78%	0.779	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-86.9	134.7	164.9	-8.5	27.2	0	0	0	112
535	V	26.8	Very low	28.9	Very low	116 Å²	116	141.2 Å²	141.2	70%	0.703	82%	0.823	S	S	*	*			trans	-97.5	-177.2	163.8	177.7	0	0	0	0	108.1
536	Y	26.4	Very low	28.8	Very low	224 Å²	224	137.4 Å²	137.4	88%	0.878	82%	0.82	S	S	*	*			trans	77.5	142	-178.1	-51.8	-84	0	0	0	115.2
537	G	26.3	Very low	28.8	Very low	70 Å²	70	136.6 Å²	136.6	72%	0.722	81%	0.809	S	S	*	*			cis	116.7	47	-11.3	0	0	0	0	0	116.8
538	Q	30.3	Very low	28.6	Very low	192 Å²	192	142.5 Å²	142.5	90%	0.897	82%	0.817	S	S	*	*			trans	-157.3	156.4	157.1	-109.9	165	6.7	0	0	110.7
539	P	29.6	Very low	28.8	Very low	115 Å²	115	139.2 Å²	139.2	75%	0.747	80%	0.804	S	S	*	*			trans	-117.6	172.9	-167.1	41.6	-31.8	0	0	0	116.2
540	A	26.4	Very low	28.7	Very low	98 Å²	98	140.8 Å²	140.8	81%	0.81	80%	0.8	S	S	*	*			trans	73.9	159.5	169.6	0	0	0	0	0	115.7
541	P	31.8	Very low	28.8	Very low	133 Å²	133	138.1 Å²	138.1	86%	0.864	80%	0.797	S	S	*	*			cis	-119.4	-163.8	12.7	43.4	-29.8	0	0	0	115.8
542	S	30	Very low	29.1	Very low	101 Å²	101	138.4 Å²	138.4	71%	0.706	79%	0.793	S	S	*	*			trans	-104.5	-171.3	-166.6	56.4	0	0	0	0	114.5
543	T	33.6	Very low	29.4	Very low	135 Å²	135	136 Å²	136	83%	0.828	79%	0.79	S	S	*	*			trans	67.9	145.5	-178.3	27.1	0	0	0	0	115.7
544	Q	31.2	Very low	30	Very low	180 Å²	180	134.2 Å²	134.2	84%	0.841	78%	0.781	S	S	*	*			cis	-133.8	172.3	8.7	-114.6	178.4	-6.4	0	0	111.6
545	P	31.8	Very low	31.4	Very low	124 Å²	124	134.7 Å²	134.7	81%	0.805	77%	0.773	S	S	*	*			trans	-100.7	164.9	-166.8	39.2	-36	0	0	0	115.6
546	G	27.3	Very low	33	Very low	74 Å²	74	137.7 Å²	137.7	76%	0.763	78%	0.78	S	S	*	*			trans	104.8	101.7	155.6	0	0	0	0	0	115.4
547	I	32.9	Very low	34.9	Very low	129 Å²	129	128.7 Å²	128.7	66%	0.662	75%	0.749	S	S	*	*			trans	-129.8	112.4	160.8	-39.1	177.4	0	0	0	109.2	Y549	I547-Y549 HydrophobicContact CB-CD2 4.47Å; I547-Y549 HydrophobicContact CB-CE2 4.01Å; I547-Y549 HydrophobicContact CG2-CD1 4.23Å; I547-Y549 HydrophobicContact CG2-CD2 3.93Å; I547-Y549 HydrophobicContact CG2-CE1 3.79Å; I547-Y549 HydrophobicContact CG2-CE2 3.46Å; I547-Y549 VanDerWaalsContact CG2-CE2 3.46Å; I547-Y549 HydrophobicContact CG2-CG 4.3Å
548	Q	25.7	Very low	37.3	Very low	196 Å²	196	129.2 Å²	129.2	92%	0.916	73%	0.733	S	S	*	*			trans	-102.6	92.1	178.7	-175.6	177.2	6.2	0	0	108.4
549	Y	28.6	Very low	39.7	Very low	182 Å²	182	120.4 Å²	120.4	71%	0.714	69%	0.693	S	S	*	*			trans	-76.5	149.5	177.1	-69	-68.8	0	0	0	111.7	I547	I547-Y549 HydrophobicContact CB-CD2 4.47Å; I547-Y549 HydrophobicContact CB-CE2 4.01Å; I547-Y549 HydrophobicContact CG2-CD1 4.23Å; I547-Y549 HydrophobicContact CG2-CD2 3.93Å; I547-Y549 HydrophobicContact CG2-CE1 3.79Å; I547-Y549 HydrophobicContact CG2-CE2 3.46Å; I547-Y549 VanDerWaalsContact CG2-CE2 3.46Å; I547-Y549 HydrophobicContact CG2-CG 4.3Å
550	P	30.1	Very low	42.1	Very low	109 Å²	109	119.4 Å²	119.4	71%	0.708	69%	0.687	S	S	*	*			trans	-71.4	142.1	-164.9	-20.1	33.8	0	0	0	114.2	L552	P550-L552 VanDerWaalsContact C-N 3.32Å; P550-L552 PolarHBondContact O-N 3.46Å
551	V	28.2	Very low	44.7	Very low	143 Å²	143	117.9 Å²	117.9	87%	0.867	66%	0.662	S	S	*	*			trans	-75.5	86.3	166.5	-177.3	0	0	0	0	108.6
552	L	32.7	Very low	47.1	Very low	152 Å²	152	114.8 Å²	114.8	80%	0.796	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-72.7	131.6	165.6	-81	165.8	0	0	0	109.4	P550	P550-L552 VanDerWaalsContact C-N 3.32Å; P550-L552 PolarHBondContact O-N 3.46Å
553	V	35.3	Very low	49.5	Very low	131 Å²	131	114.4 Å²	114.4	79%	0.794	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-61	140.7	-175.2	179.6	0	0	0	0	110
554	P	36.2	Very low	51.7	Low	94 Å²	94	114.2 Å²	114.2	61%	0.61	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-69.8	136	-169.2	-12.8	27.4	0	0	0	112	P570	P554-P570 HydrophobicContact CB-CG 3.4Å
555	Q	57.7	Low	54.2	Low	131 Å²	131	106 Å²	106	61%	0.612	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-63.1	156.6	161.6	-62.3	-162.1	11.7	0	0	109.7	P570	Q555-P570 VanDerWaalsContact O-CB 3.3Å; Q555-P570 WeakPolarHBondContact O-CB 2.96Å; Q555-P570 WeakPolarHBondContact O-CG 3.49Å
556	Q	60.4	Low	57	Low	178 Å²	178	100.3 Å²	100.3	83%	0.832	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-59.9	139.5	-177.4	-72.1	179.3	-24.4	0	0	111.5
557	P	67.6	Low	59.9	Low	35 Å²	35	102.7 Å²	102.7	23%	0.227	54%	0.537	C	S	.	.	P	Polyproline II helix	trans	-64	150.6	175.8	26.3	-32.7	0	0	0	111.7	C559 F561 A568 P570 Y642	P557-C559 PolarHBondContact O-N 3.32Å; P557-F561 HydrophobicContact CG-CD1 4.12Å; P557-F561 HydrophobicContact CG-CE1 3.47Å; P557-F561 VanDerWaalsContact CG-CE1 3.47Å; P557-F561 HydrophobicContact CG-CZ 4.35Å; P557-A568 HydrophobicContact CB-CB 3.88Å; P557-A568 HydrophobicContact CG-CB 3.87Å; P557-P570 HydrophobicContact CB-CB 4.02Å; P557-Y642 HydrophobicContact CB-CE1 3.97Å
558	M	76.5	Confident	62.6	Low	81 Å²	81	97.7 Å²	97.7	40%	0.399	52%	0.515	S	S	.	.	S	Bend	trans	-65.3	-0.7	-174.5	-63.8	-68.3	164.4	0	0	114.8	Y612 S640 Y642	M558-Y612 HydrophobicContact CB-CD1 4.4Å; M558-S640 PolarHBondContact N-OG 3.3Å; M558-Y642 PolarHBondContact N-OH 3.49Å
559	C	80.4	Confident	65.6	Low	8 Å²	8	89.3 Å²	89.3	5%	0.054	48%	0.478	C	S	.	.	S	Bend	trans	-124.9	141.6	-178.4	-80.7	0	0	0	0	111.9	P557 F561 C588 L592 Y642	P557-C559 PolarHBondContact O-N 3.32Å; C559-F561 WeakPolarHBondContact O-CD1 3.48Å; C559-C588 WeakPolarHBondContact CA-SG 3.29Å; C559-C588 HydrophobicContact CB-CB 4.27Å; C559-C588 WeakPolarHBondContact CB-SG 3.27Å; C559-C588 WeakPolarHBondContact SG-CB 3.06Å; C559-C588 CovalentContact SG-SG 2.02Å; C559-C588 PolarHBondContact SG-SG 2.94Å; C559-L592 HydrophobicContact CB-CD1 4.2Å; C559-Y642 HydrophobicContact CB-CE1 3.75Å; C559-Y642 HydrophobicContact CB-CE2 4.31Å; C559-Y642 WeakPolarHBondContact CB-OH 3.42Å; C559-Y642 PolarHBondContact N-OH 2.91Å
560	P	79.4	Confident	68.3	Low	94 Å²	94	81.7 Å²	81.7	61%	0.61	45%	0.451	S	S	*	.			trans	-64.6	135.6	145.7	32.1	-32.4	0	0	0	108.9
561	F	82.3	Confident	71	Confident	66 Å²	66	78.3 Å²	78.3	29%	0.289	43%	0.425	S	S	.	.			trans	-151.5	151.1	177.6	68.7	-75.7	0	0	0	108.7	P557 C559 P563 F566 A568 L592 Y642	P557-F561 HydrophobicContact CG-CD1 4.12Å; P557-F561 HydrophobicContact CG-CE1 3.47Å; P557-F561 VanDerWaalsContact CG-CE1 3.47Å; P557-F561 HydrophobicContact CG-CZ 4.35Å; C559-F561 WeakPolarHBondContact O-CD1 3.48Å; F561-P563 HydrophobicContact CE2-CB 4.19Å; F561-P563 WeakPolarHBondContact O-CD 3.27Å; F561-F566 HydrophobicContact CB-CB 4.44Å; F561-F566 HydrophobicContact CD2-CB 3.79Å; F561-F566 WeakPolarHBondContact CD2-O 3.04Å; F561-F566 VanDerWaalsContact CE2-O 3.28Å; F561-F566 WeakPolarHBondContact CE2-O 2.8Å; F561-F566 HydrophobicContact CG-CB 4.46Å; F561-A568 HydrophobicContact CD1-CB 4.3Å; F561-A568 HydrophobicContact CE1-CB 3.77Å; F561-A568 HydrophobicContact CE2-CB 4.03Å; F561-A568 HydrophobicContact CZ-CB 3.6Å; F561-L592 HydrophobicContact CB-CD1 3.75Å; F561-Y642 HydrophobicContact CD1-CE1 4.29Å
562	D	81.9	Confident	73.7	Confident	68 Å²	68	72.7 Å²	72.7	36%	0.364	39%	0.392	S	S	.	.			trans	-77.2	121.5	168.7	-175.7	-15.9	0	0	0	109.5	Q564 C565 F566	D562-Q564 PolarHBondContact O-N 3.39Å; D562-Q564 VanDerWaalsContact OD1-CB 3.28Å; D562-Q564 WeakPolarHBondContact OD1-CB 2.99Å; D562-Q564 WeakPolarHBondContact OD1-CG 3.35Å; D562-Q564 PolarHBondContact OD1-N 2.96Å; D562-C565 HydrophobicContact CB-CB 4.08Å; D562-C565 PolarHBondContact O-N 2.74Å; D562-F566 PolarHBondContact O-N 3.1Å
563	P	79.3	Confident	76.5	Confident	92 Å²	92	65.8 Å²	65.8	60%	0.597	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-14.6	176.2	28.9	-36.8	0	0	0	114.6	F561 F566	F561-P563 HydrophobicContact CE2-CB 4.19Å; F561-P563 WeakPolarHBondContact O-CD 3.27Å; P563-F566 WeakPolarHBondContact CA-O 3.24Å
564	Q	81.1	Confident	78.9	Confident	132 Å²	132	60 Å²	60	62%	0.617	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-37.9	167.2	-57.8	-168.4	53	0	0	111.3	D562 T645	D562-Q564 PolarHBondContact O-N 3.39Å; D562-Q564 VanDerWaalsContact OD1-CB 3.28Å; D562-Q564 WeakPolarHBondContact OD1-CB 2.99Å; D562-Q564 WeakPolarHBondContact OD1-CG 3.35Å; D562-Q564 PolarHBondContact OD1-N 2.96Å; Q564-T645 VanDerWaalsContact O-CB 3.3Å; Q564-T645 WeakPolarHBondContact O-CB 3.23Å; Q564-T645 WeakPolarHBondContact O-CG2 3.28Å; Q564-T645 PolarHBondContact O-OG1 3.29Å
565	C	83.9	Confident	81.1	Confident	6 Å²	6	56.4 Å²	56.4	4%	0.041	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-36.8	-177.8	-54.5	0	0	0	0	113.4	D562 P644 T645 C648	D562-C565 HydrophobicContact CB-CB 4.08Å; D562-C565 PolarHBondContact O-N 2.74Å; C565-P644 CarbonylContact O-C 3.47Å; C565-P644 WeakPolarHBondContact O-CA 2.97Å; C565-T645 PolarHBondContact O-N 3.16Å; C565-T645 PolarHBondContact O-OG1 3.27Å; C565-T645 VanDerWaalsContact O-OG1 3.13Å; C565-C648 WeakPolarHBondContact CA-SG 3.33Å; C565-C648 HydrophobicContact CB-CB 3.6Å; C565-C648 WeakPolarHBondContact CB-SG 3.41Å; C565-C648 WeakPolarHBondContact SG-CB 3.45Å; C565-C648 CovalentContact SG-SG 2.02Å; C565-C648 PolarHBondContact SG-SG 3.39Å
566	F	89.7	Confident	82.2	Confident	6 Å²	6	54.4 Å²	54.4	3%	0.026	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	147.1	-174.6	-74	-84.4	0	0	0	113.6	F561 D562 P563 L592 C595 L596 R643 P644	F561-F566 HydrophobicContact CB-CB 4.44Å; F561-F566 HydrophobicContact CD2-CB 3.79Å; F561-F566 WeakPolarHBondContact CD2-O 3.04Å; F561-F566 VanDerWaalsContact CE2-O 3.28Å; F561-F566 WeakPolarHBondContact CE2-O 2.8Å; F561-F566 HydrophobicContact CG-CB 4.46Å; D562-F566 PolarHBondContact O-N 3.1Å; P563-F566 WeakPolarHBondContact CA-O 3.24Å; F566-L592 HydrophobicContact CD1-CD2 4.28Å; F566-L592 HydrophobicContact CD2-CD2 4.37Å; F566-L592 HydrophobicContact CE1-CD2 4.12Å; F566-L592 HydrophobicContact CE2-CB 3.79Å; F566-L592 HydrophobicContact CE2-CD2 4.22Å; F566-L592 HydrophobicContact CE2-CG 4.41Å; F566-L592 HydrophobicContact CG-CD2 4.4Å; F566-L592 HydrophobicContact CZ-CB 3.96Å; F566-L592 HydrophobicContact CZ-CD2 4.09Å; F566-L592 WeakPolarHBondContact CZ-O 3.25Å; F566-C595 HydrophobicContact CE1-CB 4.15Å; F566-C595 HydrophobicContact CZ-CB 4.14Å; F566-L596 HydrophobicContact CE2-CD1 4.06Å; F566-L596 HydrophobicContact CE2-CD2 3.73Å; F566-L596 HydrophobicContact CE2-CG 3.8Å; F566-L596 HydrophobicContact CZ-CD1 4.49Å; F566-L596 HydrophobicContact CZ-CD2 3.64Å; F566-L596 HydrophobicContact CZ-CG 3.75Å; F566-R643 CarbonylContact C-O 3.51Å; F566-R643 WeakPolarHBondContact CA-O 3.31Å; F566-P644 HydrophobicContact CD1-CB 4.17Å; F566-P644 HydrophobicContact CE1-CB 3.84Å; F566-P644 HydrophobicContact CE1-CG 4.46Å; F566-P644 HydrophobicContact CZ-CB 4.42Å
567	K	88.6	Confident	83.1	Confident	123 Å²	123	46.6 Å²	46.6	54%	0.535	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	100.8	165.7	-72.1	176.7	-179.4	173.9	0	108.8	R643 T645	K567-R643 PolarHBondContact N-O 3.05Å; K567-R643 PolarHBondContact O-N 3.18Å; K567-T645 HydrophobicContact CD-CG2 4.47Å; K567-T645 HydrophobicContact CG-CG2 4.2Å
568	A	88.9	Confident	83.7	Confident	24 Å²	24	49.3 Å²	49.3	20%	0.198	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	158.1	177	0	0	0	0	0	112.6	P557 F561 I641 Y642	P557-A568 HydrophobicContact CB-CB 3.88Å; P557-A568 HydrophobicContact CG-CB 3.87Å; F561-A568 HydrophobicContact CD1-CB 4.3Å; F561-A568 HydrophobicContact CE1-CB 3.77Å; F561-A568 HydrophobicContact CE2-CB 4.03Å; F561-A568 HydrophobicContact CZ-CB 3.6Å; A568-I641 CarbonylContact C-O 3.53Å; A568-I641 VanDerWaalsContact CA-O 3.26Å; A568-I641 WeakPolarHBondContact CA-O 3.39Å; A568-Y642 HydrophobicContact CB-CD1 3.73Å; A568-Y642 HydrophobicContact CB-CE1 3.71Å
569	S	89	Confident	84.2	Confident	20 Å²	20	46.5 Å²	46.5	14%	0.14	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	98.7	171.1	-60.1	0	0	0	0	107.8	I641 R643	S569-I641 PolarHBondContact N-O 3.45Å; S569-I641 PolarHBondContact O-N 3.07Å; S569-R643 PolarHBondContact OG-NH2 2.59Å; S569-R643 VanDerWaalsContact OG-NH2 3.16Å
570	P	85.8	Confident	84.6	Confident	23 Å²	23	48.9 Å²	48.9	15%	0.149	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	165.9	-165.2	35.9	-37.8	0	0	0	113.1	P554 Q555 P557 C572	P554-P570 HydrophobicContact CB-CG 3.4Å; Q555-P570 VanDerWaalsContact O-CB 3.3Å; Q555-P570 WeakPolarHBondContact O-CB 2.96Å; Q555-P570 WeakPolarHBondContact O-CG 3.49Å; P557-P570 HydrophobicContact CB-CB 4.02Å; P570-C572 PolarHBondContact O-N 2.96Å; P570-C572 VanDerWaalsContact O-N 3.14Å; P570-C572 PolarHBondContact O-SG 3.11Å
571	E	85.9	Confident	84.9	Confident	37 Å²	37	46.5 Å²	46.5	17%	0.173	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	48.1	32.7	-170.6	-58.2	-165.1	108	0	0	113.3	K635 Y636 R639	E571-K635 CarbonylContact O-C 3.49Å; E571-K635 WeakPolarHBondContact O-CA 3.41Å; E571-K635 WeakPolarHBondContact O-CG 3.4Å; E571-K635 IonicContact OE1-NZ 3.89Å; E571-K635 WeakPolarHBondContact OE2-CE 3.21Å; E571-K635 IonicContact OE2-NZ 2.65Å; E571-K635 PolarHBondContact OE2-NZ 2.86Å; E571-Y636 CarbonylContact C-O 3.56Å; E571-Y636 CarbonylContact O-C 3.52Å; E571-Y636 PolarHBondContact O-N 2.81Å; E571-R639 VanDerWaalsContact CA-O 3.22Å; E571-R639 WeakPolarHBondContact CA-O 3.48Å; E571-R639 PolarHBondContact N-O 3.1Å
572	C	86.3	Confident	85.2	Confident	25 Å²	25	47.5 Å²	47.5	17%	0.169	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	150.8	-173.2	-70.4	0	0	0	0	112.1	P570 L634 R639 I641	P570-C572 PolarHBondContact O-N 2.96Å; P570-C572 VanDerWaalsContact O-N 3.14Å; P570-C572 PolarHBondContact O-SG 3.11Å; C572-L634 WeakPolarHBondContact CA-O 3.39Å; C572-R639 PolarHBondContact N-O 2.74Å; C572-R639 CarbonylContact O-C 3.24Å; C572-R639 WeakPolarHBondContact O-CB 3.46Å; C572-I641 HydrophobicContact CB-CD1 3.55Å; C572-I641 HydrophobicContact CB-CG1 3.82Å; C572-I641 WeakPolarHBondContact O-CG1 3.49Å
573	T	90.1	Very high	85.4	Confident	8 Å²	8	48.9 Å²	48.9	5%	0.049	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	167.7	165.8	-165	0	0	0	0	109.1	L634 Y636	T573-L634 HydrophobicContact CG2-CB 4.19Å; T573-L634 PolarHBondContact N-O 3.36Å; T573-L634 PolarHBondContact O-N 3.44Å; T573-Y636 HydrophobicContact CG2-CD2 4.25Å; T573-Y636 HydrophobicContact CG2-CG 4.2Å
574	I	86.1	Confident	85.7	Confident	10 Å²	10	47.8 Å²	47.8	5%	0.051	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	122.5	-179.3	-52.2	173.1	0	0	0	109.5	A577 S609 V611 F622 Q631 Y633 I641	I574-A577 HydrophobicContact CB-CB 4.08Å; I574-A577 HydrophobicContact CG2-CB 3.38Å; I574-S609 WeakPolarHBondContact CD1-OG 3.4Å; I574-V611 HydrophobicContact CD1-CG2 4.22Å; I574-V611 HydrophobicContact CG1-CG2 4.15Å; I574-F622 HydrophobicContact CB-CE1 4.45Å; I574-F622 HydrophobicContact CD1-CD2 4.2Å; I574-F622 HydrophobicContact CD1-CG 4.21Å; I574-Q631 HydrophobicContact CG2-CB 4.17Å; I574-Q631 HydrophobicContact CG2-CG 4.32Å; I574-Y633 HydrophobicContact CD1-CE1 4.45Å; I574-Y633 HydrophobicContact CG1-CD1 4.19Å; I574-Y633 HydrophobicContact CG1-CE1 4.03Å; I574-I641 HydrophobicContact CD1-CG2 4.05Å; I574-I641 HydrophobicContact CG1-CD1 3.76Å; I574-I641 HydrophobicContact CG1-CG1 4.38Å; I574-I641 HydrophobicContact CG1-CG2 4.26Å
575	S	82.4	Confident	85.7	Confident	18 Å²	18	46.5 Å²	46.5	13%	0.126	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	159	171.5	59.2	0	0	0	0	111.3	A577 Q631 H632	S575-A577 PolarHBondContact O-N 3.45Å; S575-Q631 WeakPolarHBondContact O-CA 3.32Å; S575-H632 PolarHBondContact N-O 3.41Å; S575-H632 PolarHBondContact OG-CD2 2.81Å; S575-H632 PolarHBondContact OG-CE1 2.73Å; S575-H632 PolarHBondContact OG-ND1 2.89Å; S575-H632 PolarHBondContact OG-NE2 2.65Å; S575-H632 PolarHBondContact OG-O 2.74Å; S575-H632 VanDerWaalsContact OG-O 3.04Å
576	N	80.6	Confident	85.8	Confident	88 Å²	88	47.2 Å²	47.2	47%	0.471	24%	0.242	S	C	.	.	S	Bend	trans	53.3	24	-178.1	-56.1	-18.2	0	0	0	114	P630 Q631	N576-P630 HydrophobicContact CB-CB 4.37Å; N576-P630 WeakPolarHBondContact CB-O 3.35Å; N576-P630 PolarHBondContact ND2-O 3.47Å; N576-Q631 WeakPolarHBondContact O-CG 3.43Å; N576-Q631 PolarHBondContact O-NE2 2.92Å
577	A	80.6	Confident	85.7	Confident	14 Å²	14	50.3 Å²	50.3	12%	0.116	26%	0.262	C	S	.	.			trans	-127.7	157.9	176.2	0	0	0	0	0	109.3	I574 S575 F622 V624 Q631	I574-A577 HydrophobicContact CB-CB 4.08Å; I574-A577 HydrophobicContact CG2-CB 3.38Å; S575-A577 PolarHBondContact O-N 3.45Å; A577-F622 HydrophobicContact CB-CD1 3.71Å; A577-F622 HydrophobicContact CB-CE1 3.77Å; A577-V624 HydrophobicContact CB-CG2 3.72Å; A577-Q631 HydrophobicContact CB-CG 3.71Å
578	Y	78.4	Confident	85.7	Confident	92 Å²	92	45.1 Å²	45.1	36%	0.361	24%	0.241	S	C	.	.			trans	-131.2	137.9	174.3	-74	-42.1	0	0	0	110.3	R97 D135 R154 F622	R97-Y578 VanDerWaalsContact CZ-CG 3.47Å; R97-Y578 VanDerWaalsContact NH2-CD1 3.26Å; D135-Y578 PolarHBondContact OD2-OH 3.01Å; R154-Y578 VanDerWaalsContact CZ-OH 3.32Å; R154-Y578 PolarHBondContact NH1-OH 3.08Å; R154-Y578 PolarHBondContact NH2-OH 3.41Å; Y578-F622 VanDerWaalsContact C-CE1 3.47Å; Y578-F622 WeakPolarHBondContact O-CD1 3.47Å
579	P	88.5	Confident	85.7	Confident	22 Å²	22	48 Å²	48	14%	0.143	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	144.5	171.9	30.2	-32.6	0	0	0	109.7	D620 I621 F622	P579-D620 HydrophobicContact CB-CB 3.98Å; P579-D620 HydrophobicContact CG-CB 4.2Å; P579-I621 CarbonylContact C-O 3.52Å; P579-I621 WeakPolarHBondContact CA-O 3.44Å; P579-I621 VanDerWaalsContact CB-O 3.27Å; P579-I621 WeakPolarHBondContact CB-O 2.88Å; P579-F622 HydrophobicContact CB-CD1 4.38Å; P579-F622 HydrophobicContact CB-CD2 4.39Å; P579-F622 HydrophobicContact CB-CE1 4.26Å; P579-F622 HydrophobicContact CB-CE2 4.25Å; P579-F622 HydrophobicContact CB-CG 4.45Å; P579-F622 HydrophobicContact CB-CZ 4.19Å; P579-F622 HydrophobicContact CG-CE1 4.43Å; P579-F622 HydrophobicContact CG-CZ 4.32Å
580	F	87.3	Confident	85.7	Confident	59 Å²	59	51.9 Å²	51.9	26%	0.259	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-23.4	172	66.4	-101.3	0	0	0	112	K598 Y605 I621 A623	F580-K598 HydrophobicContact CE2-CD 4.46Å; F580-K598 HydrophobicContact CZ-CB 4.37Å; F580-Y605 HydrophobicContact CB-CD2 4Å; F580-Y605 HydrophobicContact CB-CG 4.07Å; F580-Y605 HydrophobicContact CD1-CG 4.35Å; F580-Y605 HydrophobicContact CG-CD2 4.38Å; F580-Y605 HydrophobicContact CG-CG 4.14Å; F580-Y605 WeakPolarHBondContact CZ-O 3.34Å; F580-I621 HydrophobicContact CD1-CG2 4.5Å; F580-I621 WeakPolarHBondContact CD1-O 3.01Å; F580-I621 HydrophobicContact CE1-CG2 3.71Å; F580-I621 HydrophobicContact CE2-CG2 3.99Å; F580-I621 HydrophobicContact CZ-CB 4.38Å; F580-I621 HydrophobicContact CZ-CG2 3.42Å; F580-I621 VanDerWaalsContact CZ-CG2 3.42Å; F580-I621 PolarHBondContact N-O 3.24Å; F580-A623 HydrophobicContact CD1-CB 3.86Å; F580-A623 HydrophobicContact CE1-CB 4.12Å
581	E	86.9	Confident	86.1	Confident	43 Å²	43	50.8 Å²	50.8	20%	0.201	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	140.2	171.3	-177.6	171.3	176.4	0	0	109.5	R583 K598 I621	E581-R583 IonicContact OE1-CZ 3.13Å; E581-R583 IonicContact OE1-NE 2.78Å; E581-R583 PolarHBondContact OE1-NE 3.39Å; E581-R583 IonicContact OE1-NH2 2.76Å; E581-R583 PolarHBondContact OE1-NH2 3.07Å; E581-K598 WeakPolarHBondContact OE2-CD 3.22Å; E581-K598 WeakPolarHBondContact OE2-CE 3.16Å; E581-I621 HydrophobicContact CB-CB 4.2Å; E581-I621 HydrophobicContact CB-CG1 4.37Å; E581-I621 PolarHBondContact O-N 3.41Å
582	R	88.2	Confident	86.4	Confident	88 Å²	88	49.5 Å²	49.5	33%	0.332	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	135.3	172.7	164.5	174.6	-75.7	-164.8	-7.5	108.7	Y93 C619 D620	Y93-R582 VanDerWaalsContact CG-NH2 3.32Å; R582-C619 CarbonylContact C-O 3.19Å; R582-C619 VanDerWaalsContact CA-O 3.25Å; R582-C619 WeakPolarHBondContact CA-O 3.43Å; R582-D620 IonicContact CZ-OD1 3.84Å; R582-D620 IonicContact CZ-OD2 2.99Å; R582-D620 IonicContact NE-OD1 2.75Å; R582-D620 PolarHBondContact NE-OD1 3Å; R582-D620 VanDerWaalsContact NH2-CG 3.26Å; R582-D620 IonicContact NH2-OD1 3.16Å; R582-D620 PolarHBondContact NH2-OD1 2.89Å; R582-D620 IonicContact NH2-OD2 3.79Å; R582-D620 PolarHBondContact NH2-OD2 2.04Å
583	R	86.4	Confident	86.5	Confident	97 Å²	97	51.6 Å²	51.6	37%	0.366	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	138.8	170	-59.3	-163.2	-173.6	170.7	2.9	111.7	E581 V586 L594 S618 C619	E581-R583 IonicContact OE1-CZ 3.13Å; E581-R583 IonicContact OE1-NE 2.78Å; E581-R583 PolarHBondContact OE1-NE 3.39Å; E581-R583 IonicContact OE1-NH2 2.76Å; E581-R583 PolarHBondContact OE1-NH2 3.07Å; R583-V586 HydrophobicContact CB-CG1 3.53Å; R583-V586 HydrophobicContact CB-CG2 4.2Å; R583-L594 HydrophobicContact CG-CD2 3.89Å; R583-L594 VanDerWaalsContact CZ-CD1 3.45Å; R583-S618 WeakPolarHBondContact O-CA 3.43Å; R583-C619 PolarHBondContact N-O 2.78Å; R583-C619 PolarHBondContact O-N 2.99Å
584	T	85.1	Confident	86.5	Confident	68 Å²	68	51.4 Å²	51.4	42%	0.417	26%	0.264	S	S	.	.	S	Bend	trans	-155.4	131.4	-178.5	40.7	0	0	0	0	110.1
585	P	80.7	Confident	86.7	Confident	105 Å²	105	51 Å²	51	68%	0.682	26%	0.262	S	S	*	.	S	Bend	cis	-72.8	146.7	-18.6	33	-33.8	0	0	0	110.6	K617	P585-K617 WeakPolarHBondContact CA-O 3.43Å; P585-K617 HydrophobicContact CB-CB 4.19Å
586	V	86.8	Confident	87	Confident	21 Å²	21	50.3 Å²	50.3	13%	0.127	26%	0.257	C	S	.	.			trans	-138.4	157.1	164.4	-70	0	0	0	0	109.9	R583 E590 Y612 K617 C619	R583-V586 HydrophobicContact CB-CG1 3.53Å; R583-V586 HydrophobicContact CB-CG2 4.2Å; V586-E590 HydrophobicContact CB-CB 4.32Å; V586-Y612 WeakPolarHBondContact O-CE2 3.41Å; V586-Y612 PolarHBondContact O-OH 2.92Å; V586-K617 PolarHBondContact N-O 3.09Å; V586-K617 WeakPolarHBondContact O-CB 3.22Å; V586-C619 HydrophobicContact CG2-CB 3.5Å; V586-C619 VanDerWaalsContact CG2-CB 3.5Å
587	T	88	Confident	87.2	Confident	72 Å²	72	50.3 Å²	50.3	44%	0.442	25%	0.254	S	S	.	.			trans	-71.7	166.3	166.9	67	0	0	0	0	111.2	E590 C591	T587-E590 WeakPolarHBondContact CA-OE2 3.42Å; T587-E590 VanDerWaalsContact CB-OE2 3.23Å; T587-E590 WeakPolarHBondContact CB-OE2 3.48Å; T587-E590 VanDerWaalsContact CG2-OE2 3.3Å; T587-E590 WeakPolarHBondContact CG2-OE2 3.4Å; T587-E590 PolarHBondContact N-OE2 2.96Å; T587-E590 VanDerWaalsContact OG1-CD 3.28Å; T587-E590 VanDerWaalsContact OG1-CG 3.29Å; T587-E590 WeakPolarHBondContact OG1-CG 3.38Å; T587-E590 PolarHBondContact OG1-N 3.18Å; T587-E590 PolarHBondContact OG1-OE2 3.25Å; T587-C591 PolarHBondContact O-N 3.26Å
588	C	87.7	Confident	87.4	Confident	13 Å²	13	51.5 Å²	51.5	9%	0.088	26%	0.257	C	S	.	.	H	α-helix	trans	-57.6	-47.4	172.1	150.7	0	0	0	0	112.1	C559 C591 L592 Y612	C559-C588 WeakPolarHBondContact CA-SG 3.29Å; C559-C588 HydrophobicContact CB-CB 4.27Å; C559-C588 WeakPolarHBondContact CB-SG 3.27Å; C559-C588 WeakPolarHBondContact SG-CB 3.06Å; C559-C588 CovalentContact SG-SG 2.02Å; C559-C588 PolarHBondContact SG-SG 2.94Å; C588-C591 VanDerWaalsContact O-CB 3.24Å; C588-C591 WeakPolarHBondContact O-CB 3.36Å; C588-C591 PolarHBondContact O-N 3.22Å; C588-C591 VanDerWaalsContact O-N 3.1Å; C588-L592 PolarHBondContact O-N 2.87Å; C588-Y612 HydrophobicContact CB-CD1 4.19Å; C588-Y612 HydrophobicContact CB-CE1 3.9Å; C588-Y612 HydrophobicContact CB-CE2 4.42Å; C588-Y612 PolarHBondContact N-OH 3.43Å
589	N	88.6	Confident	87.4	Confident	84 Å²	84	48.7 Å²	48.7	45%	0.449	25%	0.247	S	C	.	.	H	α-helix	trans	-65.2	-47.6	-174.7	-66.3	19.5	0	0	0	110.4	C591 L592 D593	N589-C591 PolarHBondContact O-N 2.88Å; N589-L592 CarbonylContact O-C 3.54Å; N589-L592 WeakPolarHBondContact O-CA 3.47Å; N589-L592 WeakPolarHBondContact O-CB 3.47Å; N589-L592 PolarHBondContact O-N 3.49Å; N589-D593 PolarHBondContact O-N 3.09Å; N589-D593 VanDerWaalsContact O-OD2 3.1Å
590	E	90.1	Very high	86.3	Confident	103 Å²	103	50.3 Å²	50.3	48%	0.481	25%	0.252	S	S	.	.	H	α-helix	trans	-55.8	-28.4	174.2	-68.4	164.1	128.6	0	0	113	V586 T587 L594	V586-E590 HydrophobicContact CB-CB 4.32Å; T587-E590 WeakPolarHBondContact CA-OE2 3.42Å; T587-E590 VanDerWaalsContact CB-OE2 3.23Å; T587-E590 WeakPolarHBondContact CB-OE2 3.48Å; T587-E590 VanDerWaalsContact CG2-OE2 3.3Å; T587-E590 WeakPolarHBondContact CG2-OE2 3.4Å; T587-E590 PolarHBondContact N-OE2 2.96Å; T587-E590 VanDerWaalsContact OG1-CD 3.28Å; T587-E590 VanDerWaalsContact OG1-CG 3.29Å; T587-E590 WeakPolarHBondContact OG1-CG 3.38Å; T587-E590 PolarHBondContact OG1-N 3.18Å; T587-E590 PolarHBondContact OG1-OE2 3.25Å; E590-L594 WeakPolarHBondContact O-CB 3.49Å; E590-L594 PolarHBondContact O-N 2.84Å
591	C	92.7	Very high	84.9	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-72	-36	173.9	-176.4	0	0	0	0	113.1	T587 C588 N589 C595 Y612 C619	T587-C591 PolarHBondContact O-N 3.26Å; C588-C591 VanDerWaalsContact O-CB 3.24Å; C588-C591 WeakPolarHBondContact O-CB 3.36Å; C588-C591 PolarHBondContact O-N 3.22Å; C588-C591 VanDerWaalsContact O-N 3.1Å; N589-C591 PolarHBondContact O-N 2.88Å; C591-C595 PolarHBondContact O-N 3.27Å; C591-Y612 HydrophobicContact CB-CD2 3.88Å; C591-C619 WeakPolarHBondContact CA-SG 3.45Å; C591-C619 HydrophobicContact CB-CB 3.53Å; C591-C619 WeakPolarHBondContact CB-SG 3.13Å; C591-C619 WeakPolarHBondContact SG-CB 3.44Å; C591-C619 CovalentContact SG-SG 2.02Å; C591-C619 PolarHBondContact SG-SG 3.25Å
592	L	92.1	Very high	83.3	Confident	10 Å²	10	54.4 Å²	54.4	5%	0.052	28%	0.283	C	S	.	.	H	α-helix	trans	-75.3	-46.8	175.5	-61	-177.1	0	0	0	110.9	C559 F561 F566 C588 N589 L594 C595 L596 Y642	C559-L592 HydrophobicContact CB-CD1 4.2Å; F561-L592 HydrophobicContact CB-CD1 3.75Å; F566-L592 HydrophobicContact CD1-CD2 4.28Å; F566-L592 HydrophobicContact CD2-CD2 4.37Å; F566-L592 HydrophobicContact CE1-CD2 4.12Å; F566-L592 HydrophobicContact CE2-CB 3.79Å; F566-L592 HydrophobicContact CE2-CD2 4.22Å; F566-L592 HydrophobicContact CE2-CG 4.41Å; F566-L592 HydrophobicContact CG-CD2 4.4Å; F566-L592 HydrophobicContact CZ-CB 3.96Å; F566-L592 HydrophobicContact CZ-CD2 4.09Å; F566-L592 WeakPolarHBondContact CZ-O 3.25Å; C588-L592 PolarHBondContact O-N 2.87Å; N589-L592 CarbonylContact O-C 3.54Å; N589-L592 WeakPolarHBondContact O-CA 3.47Å; N589-L592 WeakPolarHBondContact O-CB 3.47Å; N589-L592 PolarHBondContact O-N 3.49Å; L592-L594 VanDerWaalsContact C-N 3.3Å; L592-L594 PolarHBondContact O-N 2.87Å; L592-C595 WeakPolarHBondContact O-CA 3.5Å; L592-C595 WeakPolarHBondContact O-CB 3.3Å; L592-C595 PolarHBondContact O-N 2.86Å; L592-L596 PolarHBondContact O-N 2.8Å; L592-Y642 HydrophobicContact CD2-CD1 3.97Å; L592-Y642 HydrophobicContact CD2-CD2 3.79Å; L592-Y642 HydrophobicContact CD2-CE2 4.5Å; L592-Y642 HydrophobicContact CD2-CG 3.49Å; L592-Y642 VanDerWaalsContact CD2-CG 3.49Å
593	D	89.4	Confident	81.6	Confident	68 Å²	68	58.5 Å²	58.5	36%	0.364	30%	0.3	S	S	.	.	H	α-helix	trans	-60	-41.6	177.1	-62	-40.6	0	0	0	110.9	N589 C595 L596 E597	N589-D593 PolarHBondContact O-N 3.09Å; N589-D593 VanDerWaalsContact O-OD2 3.1Å; D593-C595 VanDerWaalsContact C-N 3.32Å; D593-C595 PolarHBondContact O-N 3.2Å; D593-L596 PolarHBondContact O-N 2.79Å; D593-E597 WeakPolarHBondContact O-CB 3.08Å; D593-E597 PolarHBondContact O-N 2.81Å
594	L	89.1	Confident	80.6	Confident	5 Å²	5	59.2 Å²	59.2	3%	0.026	32%	0.317	C	S	.	.	H	α-helix	trans	-59.2	-39.5	170.5	176	59.3	0	0	0	112.8	R583 E590 L592 K598 I621	R583-L594 HydrophobicContact CG-CD2 3.89Å; R583-L594 VanDerWaalsContact CZ-CD1 3.45Å; E590-L594 WeakPolarHBondContact O-CB 3.49Å; E590-L594 PolarHBondContact O-N 2.84Å; L592-L594 VanDerWaalsContact C-N 3.3Å; L592-L594 PolarHBondContact O-N 2.87Å; L594-K598 HydrophobicContact CD1-CG 3.66Å; L594-K598 HydrophobicContact CG-CG 4.32Å; L594-K598 WeakPolarHBondContact O-CB 3.45Å; L594-K598 VanDerWaalsContact O-CG 3.22Å; L594-K598 WeakPolarHBondContact O-CG 3.39Å; L594-K598 PolarHBondContact O-N 2.94Å; L594-I621 HydrophobicContact CD2-CD1 4.02Å; L594-I621 HydrophobicContact CD2-CG1 3.8Å; L594-I621 HydrophobicContact CG-CD1 4.04Å; L594-I621 HydrophobicContact CG-CG1 4.07Å
595	C	91	Very high	80.1	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-68.3	-36.4	176.3	178.6	0	0	0	0	111.9	F566 C591 L592 D593 K598 Q599 C607 A610 I621	F566-C595 HydrophobicContact CE1-CB 4.15Å; F566-C595 HydrophobicContact CZ-CB 4.14Å; C591-C595 PolarHBondContact O-N 3.27Å; L592-C595 WeakPolarHBondContact O-CA 3.5Å; L592-C595 WeakPolarHBondContact O-CB 3.3Å; L592-C595 PolarHBondContact O-N 2.86Å; D593-C595 VanDerWaalsContact C-N 3.32Å; D593-C595 PolarHBondContact O-N 3.2Å; C595-K598 CarbonylContact O-C 3.51Å; C595-Q599 WeakPolarHBondContact O-CB 3.33Å; C595-Q599 PolarHBondContact O-N 2.77Å; C595-C607 HydrophobicContact CB-CB 4.03Å; C595-C607 WeakPolarHBondContact CB-SG 3.46Å; C595-C607 WeakPolarHBondContact O-CB 3.26Å; C595-C607 WeakPolarHBondContact SG-CB 3.45Å; C595-C607 CovalentContact SG-SG 2.04Å; C595-C607 PolarHBondContact SG-SG 3.09Å; C595-A610 HydrophobicContact CB-CB 4.05Å; C595-I621 HydrophobicContact CB-CD1 4.13Å
596	L	89.1	Confident	80.2	Confident	5 Å²	5	59.7 Å²	59.7	3%	0.026	30%	0.302	C	S	.	.	H	α-helix	trans	-67.6	-44.9	173.5	-62.2	179.4	0	0	0	111.3	F566 L592 D593 K598 Q599 F600 P644 C648 P650	F566-L596 HydrophobicContact CE2-CD1 4.06Å; F566-L596 HydrophobicContact CE2-CD2 3.73Å; F566-L596 HydrophobicContact CE2-CG 3.8Å; F566-L596 HydrophobicContact CZ-CD1 4.49Å; F566-L596 HydrophobicContact CZ-CD2 3.64Å; F566-L596 HydrophobicContact CZ-CG 3.75Å; L592-L596 PolarHBondContact O-N 2.8Å; D593-L596 PolarHBondContact O-N 2.79Å; L596-K598 VanDerWaalsContact C-N 3.34Å; L596-K598 PolarHBondContact O-N 2.59Å; L596-Q599 WeakPolarHBondContact O-CB 3.15Å; L596-Q599 PolarHBondContact O-N 3.18Å; L596-Q599 VanDerWaalsContact O-N 3.1Å; L596-F600 WeakPolarHBondContact O-CD2 3.46Å; L596-P644 HydrophobicContact CD2-CB 4.42Å; L596-C648 HydrophobicContact CD2-CB 4.49Å; L596-P650 HydrophobicContact CB-CB 3.95Å; L596-P650 HydrophobicContact CB-CG 4.5Å
597	E	85.5	Confident	80.4	Confident	88 Å²	88	58.8 Å²	58.8	41%	0.411	30%	0.297	S	S	.	.	H	α-helix	trans	-55.8	-47.8	173	-167.8	-141.7	130.2	0	0	111	D593 Q599 F600	D593-E597 WeakPolarHBondContact O-CB 3.08Å; D593-E597 PolarHBondContact O-N 2.81Å; E597-Q599 VanDerWaalsContact C-N 3.27Å; E597-Q599 PolarHBondContact O-N 3Å; E597-F600 PolarHBondContact O-N 3.12Å
598	K	84.5	Confident	80.5	Confident	38 Å²	38	60 Å²	60	17%	0.165	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	0.2	178.7	-63.5	-77.3	176.1	-91.8	0	113.5	F580 E581 L594 C595 L596 F600 I606 C607	F580-K598 HydrophobicContact CE2-CD 4.46Å; F580-K598 HydrophobicContact CZ-CB 4.37Å; E581-K598 WeakPolarHBondContact OE2-CD 3.22Å; E581-K598 WeakPolarHBondContact OE2-CE 3.16Å; L594-K598 HydrophobicContact CD1-CG 3.66Å; L594-K598 HydrophobicContact CG-CG 4.32Å; L594-K598 WeakPolarHBondContact O-CB 3.45Å; L594-K598 VanDerWaalsContact O-CG 3.22Å; L594-K598 WeakPolarHBondContact O-CG 3.39Å; L594-K598 PolarHBondContact O-N 2.94Å; C595-K598 CarbonylContact O-C 3.51Å; L596-K598 VanDerWaalsContact C-N 3.34Å; L596-K598 PolarHBondContact O-N 2.59Å; K598-F600 VanDerWaalsContact C-N 3.34Å; K598-I606 CarbonylContact O-C 3.58Å; K598-I606 VanDerWaalsContact O-CA 3.27Å; K598-I606 WeakPolarHBondContact O-CA 3.21Å; K598-C607 HydrophobicContact CB-CB 4.3Å; K598-C607 PolarHBondContact O-N 3.16Å
599	Q	77.5	Confident	80.7	Confident	33 Å²	33	59.4 Å²	59.4	15%	0.154	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-24.7	169.9	-172.1	169.8	12.1	0	0	111.2	C595 L596 E597 P644 G646	C595-Q599 WeakPolarHBondContact O-CB 3.33Å; C595-Q599 PolarHBondContact O-N 2.77Å; L596-Q599 WeakPolarHBondContact O-CB 3.15Å; L596-Q599 PolarHBondContact O-N 3.18Å; L596-Q599 VanDerWaalsContact O-N 3.1Å; E597-Q599 VanDerWaalsContact C-N 3.27Å; E597-Q599 PolarHBondContact O-N 3Å; Q599-P644 VanDerWaalsContact OE1-CB 3.23Å; Q599-G646 VanDerWaalsContact NE2-CA 3.31Å
600	F	66.4	Low	80.9	Confident	56 Å²	56	55.4 Å²	55.4	25%	0.246	27%	0.271	C	S	.	.	S	Bend	trans	-134.2	88.5	-171.6	-50.3	-70.2	0	0	0	111.5	L596 E597 K598 C648 Q649 P764	L596-F600 WeakPolarHBondContact O-CD2 3.46Å; E597-F600 PolarHBondContact O-N 3.12Å; K598-F600 VanDerWaalsContact C-N 3.34Å; F600-C648 WeakPolarHBondContact CE2-O 3.34Å; F600-Q649 HydrophobicContact CD2-CG 4.49Å; F600-Q649 HydrophobicContact CE2-CG 4.17Å; F600-P764 HydrophobicContact CD1-CB 3.45Å; F600-P764 VanDerWaalsContact CD1-CB 3.45Å; F600-P764 HydrophobicContact CD1-CG 3.72Å; F600-P764 HydrophobicContact CE1-CB 3.83Å; F600-P764 HydrophobicContact CE1-CG 4.17Å; F600-P764 HydrophobicContact CG-CB 4.39Å
601	G	56.4	Low	81.1	Confident	42 Å²	42	50.5 Å²	50.5	43%	0.433	25%	0.248	S	C	.	.	S	Bend	trans	-170.8	170	175.8	0	0	0	0	0	114.5	Y603	G601-Y603 PolarHBondContact O-N 2.84Å; G601-Y603 VanDerWaalsContact O-N 3.16Å
602	E	54.6	Low	81.2	Confident	146 Å²	146	51.3 Å²	51.3	68%	0.682	25%	0.251	S	S	*	.	S	Bend	trans	-73.9	4.5	-176.7	-68	-161.9	118.9	0	0	115.2	R828	E602-R828 IonicContact OE1-CZ 2.89Å; E602-R828 IonicContact OE1-NH1 3.25Å; E602-R828 PolarHBondContact OE1-NH1 2.84Å; E602-R828 IonicContact OE1-NH2 2.72Å; E602-R828 PolarHBondContact OE1-NH2 3.16Å
603	Y	52.8	Low	81.1	Confident	175 Å²	175	51.1 Å²	51.1	69%	0.686	25%	0.25	S	S	*	.	S	Bend	trans	-72.7	145.8	176.3	-96.7	-104.6	0	0	0	111.6	G601 Y605	G601-Y603 PolarHBondContact O-N 2.84Å; G601-Y603 VanDerWaalsContact O-N 3.16Å; Y603-Y605 PolarHBondContact O-N 3.11Å
604	P	64.5	Low	80.9	Confident	111 Å²	111	50.4 Å²	50.4	72%	0.721	25%	0.25	S	S	*	.	S	Bend	trans	-66.8	-5.8	-178.6	27.3	-35.8	0	0	0	114.5
605	Y	74	Confident	80.6	Confident	121 Å²	121	55 Å²	55	48%	0.475	28%	0.282	S	S	.	.			trans	-128.2	119.5	178.2	-56.3	-65.2	0	0	0	110.1	F580 Y603 A623	F580-Y605 HydrophobicContact CB-CD2 4Å; F580-Y605 HydrophobicContact CB-CG 4.07Å; F580-Y605 HydrophobicContact CD1-CG 4.35Å; F580-Y605 HydrophobicContact CG-CD2 4.38Å; F580-Y605 HydrophobicContact CG-CG 4.14Å; F580-Y605 WeakPolarHBondContact CZ-O 3.34Å; Y603-Y605 PolarHBondContact O-N 3.11Å; Y605-A623 HydrophobicContact CD1-CB 3.98Å; Y605-A623 HydrophobicContact CG-CB 4.49Å
606	I	83.8	Confident	80.3	Confident	63 Å²	63	57.6 Å²	57.6	32%	0.323	30%	0.301	S	S	.	.			trans	-96.8	148.1	173.2	60.7	174.2	0	0	0	110.8	K598 K608 A623	K598-I606 CarbonylContact O-C 3.58Å; K598-I606 VanDerWaalsContact O-CA 3.27Å; K598-I606 WeakPolarHBondContact O-CA 3.21Å; I606-K608 HydrophobicContact CG1-CG 4.35Å; I606-K608 PolarHBondContact O-N 2.59Å; I606-A623 WeakPolarHBondContact O-CA 3.29Å
607	C	89.6	Confident	80.2	Confident	2 Å²	2	63.2 Å²	63.2	1%	0.014	33%	0.325	C	S	.	.			trans	-62.4	122.1	171.9	-167.2	0	0	0	0	110.3	C595 K598 S609 I621	C595-C607 HydrophobicContact CB-CB 4.03Å; C595-C607 WeakPolarHBondContact CB-SG 3.46Å; C595-C607 WeakPolarHBondContact O-CB 3.26Å; C595-C607 WeakPolarHBondContact SG-CB 3.45Å; C595-C607 CovalentContact SG-SG 2.04Å; C595-C607 PolarHBondContact SG-SG 3.09Å; K598-C607 HydrophobicContact CB-CB 4.3Å; K598-C607 PolarHBondContact O-N 3.16Å; C607-S609 VanDerWaalsContact SG-C 3.6Å; C607-I621 HydrophobicContact CB-CG2 3.95Å
608	K	90.6	Very high	80.4	Confident	97 Å²	97	59.1 Å²	59.1	42%	0.422	31%	0.306	S	S	.	.	S	Bend	trans	-115.7	-16.9	165.4	-59	-160.5	-168.5	98.6	0	112.5	I606 F622 A623 V624	I606-K608 HydrophobicContact CG1-CG 4.35Å; I606-K608 PolarHBondContact O-N 2.59Å; K608-F622 PolarHBondContact N-O 2.97Å; K608-A623 WeakPolarHBondContact CD-O 3.3Å; K608-A623 PolarHBondContact NZ-O 3.4Å; K608-V624 CarbonylContact C-O 3.53Å; K608-V624 VanDerWaalsContact CB-C 3.49Å
609	S	92.5	Very high	80.9	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	153.6	160.7	56	0	0	0	0	111.2	I574 C607 F622 V624 Y642	I574-S609 WeakPolarHBondContact CD1-OG 3.4Å; C607-S609 VanDerWaalsContact SG-C 3.6Å; S609-F622 PolarHBondContact N-O 2.83Å; S609-F622 PolarHBondContact O-N 3.1Å; S609-V624 PolarHBondContact N-O 3.22Å; S609-V624 PolarHBondContact OG-O 3.07Å; S609-Y642 CarbonylContact C-O 3.43Å; S609-Y642 VanDerWaalsContact CA-O 3.22Å; S609-Y642 WeakPolarHBondContact CA-O 3.17Å
610	A	93.5	Very high	81.6	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	149.9	164.3	0	0	0	0	0	109.4	C595 D620 I621 I641 Y642	C595-A610 HydrophobicContact CB-CB 4.05Å; A610-D620 CarbonylContact C-O 3.58Å; A610-D620 VanDerWaalsContact CA-O 3.29Å; A610-D620 WeakPolarHBondContact CA-O 3.39Å; A610-I621 HydrophobicContact CB-CD1 3.74Å; A610-I641 CarbonylContact O-C 3.53Å; A610-I641 WeakPolarHBondContact O-CA 3.25Å; A610-Y642 PolarHBondContact N-O 3.18Å; A610-Y642 PolarHBondContact O-N 3.14Å
611	V	94.1	Very high	82.8	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	117.6	168.2	-175.7	0	0	0	0	108.3	I574 D620 F622 R639 S640 I641	I574-V611 HydrophobicContact CD1-CG2 4.22Å; I574-V611 HydrophobicContact CG1-CG2 4.15Å; V611-D620 HydrophobicContact CB-CB 4.25Å; V611-D620 PolarHBondContact N-O 2.77Å; V611-D620 PolarHBondContact O-N 3.36Å; V611-F622 HydrophobicContact CB-CE2 3.99Å; V611-F622 HydrophobicContact CG2-CD2 4.06Å; V611-F622 HydrophobicContact CG2-CE2 3.51Å; V611-F622 HydrophobicContact CG2-CZ 4.33Å; V611-R639 HydrophobicContact CG1-CB 4.1Å; V611-R639 HydrophobicContact CG1-CG 4.38Å; V611-S640 WeakPolarHBondContact CA-O 3.17Å; V611-I641 HydrophobicContact CG2-CB 4.3Å; V611-I641 HydrophobicContact CG2-CG1 3.97Å; V611-I641 HydrophobicContact CG2-CG2 4.11Å
612	Y	93.8	Very high	84.5	Confident	18 Å²	18	51.3 Å²	51.3	7%	0.071	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	137	174.5	-173.7	-106.1	0	0	0	109.9	M558 V586 C588 C591 S618 R639 S640	M558-Y612 HydrophobicContact CB-CD1 4.4Å; V586-Y612 WeakPolarHBondContact O-CE2 3.41Å; V586-Y612 PolarHBondContact O-OH 2.92Å; C588-Y612 HydrophobicContact CB-CD1 4.19Å; C588-Y612 HydrophobicContact CB-CE1 3.9Å; C588-Y612 HydrophobicContact CB-CE2 4.42Å; C588-Y612 PolarHBondContact N-OH 3.43Å; C591-Y612 HydrophobicContact CB-CD2 3.88Å; Y612-S618 WeakPolarHBondContact CA-O 3.3Å; Y612-R639 CarbonylContact O-C 3.6Å; Y612-R639 VanDerWaalsContact O-CA 3.29Å; Y612-R639 WeakPolarHBondContact O-CA 3.38Å; Y612-S640 PolarHBondContact N-O 2.81Å; Y612-S640 PolarHBondContact O-N 3.03Å
613	D	91.5	Very high	86.1	Confident	6 Å²	6	45.4 Å²	45.4	3%	0.032	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	116.4	173.9	-171.4	-36.2	0	0	0	109.2	S615 S616 K617 S618 R639	D613-S615 VanDerWaalsContact C-N 3.27Å; D613-S615 PolarHBondContact O-N 2.86Å; D613-S615 WeakPolarHBondContact OD1-CB 3.34Å; D613-S615 PolarHBondContact OD1-N 3.46Å; D613-S615 PolarHBondContact OD1-OG 2.77Å; D613-S616 WeakPolarHBondContact CB-OG 3.15Å; D613-S616 VanDerWaalsContact CG-OG 3.29Å; D613-S616 PolarHBondContact OD1-N 2.97Å; D613-K617 VanDerWaalsContact O-CA 3.28Å; D613-K617 WeakPolarHBondContact O-CA 3.27Å; D613-K617 PolarHBondContact O-N 2.98Å; D613-S618 WeakPolarHBondContact CB-OG 3.49Å; D613-S618 PolarHBondContact N-O 3.24Å; D613-S618 PolarHBondContact O-N 2.89Å; D613-R639 HydrophobicContact CB-CG 3.84Å; D613-R639 IonicContact OD2-CZ 2.73Å; D613-R639 IonicContact OD2-NE 3.2Å; D613-R639 PolarHBondContact OD2-NE 2.82Å; D613-R639 IonicContact OD2-NH2 3.6Å; D613-R639 PolarHBondContact OD2-NH2 3.02Å
614	S	85	Confident	87.7	Confident	52 Å²	52	39 Å²	39	36%	0.364	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-18.4	-177	64.3	0	0	0	0	113.4	G638	S614-G638 PolarHBondContact N-O 3.43Å; S614-G638 PolarHBondContact OG-O 2.83Å
615	S	82.5	Confident	88.7	Confident	101 Å²	101	35.3 Å²	35.3	71%	0.706	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-41.8	-177.4	71.2	0	0	0	0	112.4	D613	D613-S615 VanDerWaalsContact C-N 3.27Å; D613-S615 PolarHBondContact O-N 2.86Å; D613-S615 WeakPolarHBondContact OD1-CB 3.34Å; D613-S615 PolarHBondContact OD1-N 3.46Å; D613-S615 PolarHBondContact OD1-OG 2.77Å
616	S	83.5	Confident	88.8	Confident	56 Å²	56	29.6 Å²	29.6	39%	0.392	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-10.2	179.2	61.2	0	0	0	0	113.8	D613 S618	D613-S616 WeakPolarHBondContact CB-OG 3.15Å; D613-S616 VanDerWaalsContact CG-OG 3.29Å; D613-S616 PolarHBondContact OD1-N 2.97Å; S616-S618 PolarHBondContact O-N 2.84Å; S616-S618 VanDerWaalsContact OG-CB 3.24Å; S616-S618 WeakPolarHBondContact OG-CB 3.14Å; S616-S618 PolarHBondContact OG-N 3.13Å; S616-S618 PolarHBondContact OG-OG 2.82Å
617	K	87.7	Confident	88.4	Confident	122 Å²	122	31.2 Å²	31.2	53%	0.53	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	40.2	-166.6	-61.3	-174.8	-178.8	-178.8	0	111.7	P585 V586 D613	P585-K617 WeakPolarHBondContact CA-O 3.43Å; P585-K617 HydrophobicContact CB-CB 4.19Å; V586-K617 PolarHBondContact N-O 3.09Å; V586-K617 WeakPolarHBondContact O-CB 3.22Å; D613-K617 VanDerWaalsContact O-CA 3.28Å; D613-K617 WeakPolarHBondContact O-CA 3.27Å; D613-K617 PolarHBondContact O-N 2.98Å
618	S	90.4	Very high	87.7	Confident	3 Å²	3	35 Å²	35	2%	0.021	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	132.8	179.7	74.3	0	0	0	0	112.1	R583 Y612 D613 S616 R639	R583-S618 WeakPolarHBondContact O-CA 3.43Å; Y612-S618 WeakPolarHBondContact CA-O 3.3Å; D613-S618 WeakPolarHBondContact CB-OG 3.49Å; D613-S618 PolarHBondContact N-O 3.24Å; D613-S618 PolarHBondContact O-N 2.89Å; S616-S618 PolarHBondContact O-N 2.84Å; S616-S618 VanDerWaalsContact OG-CB 3.24Å; S616-S618 WeakPolarHBondContact OG-CB 3.14Å; S616-S618 PolarHBondContact OG-N 3.13Å; S616-S618 PolarHBondContact OG-OG 2.82Å; S618-R639 PolarHBondContact OG-NH2 3.48Å
619	C	93.6	Very high	85.9	Confident	0 Å²	0	36 Å²	36	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	126.7	167.4	-172.8	0	0	0	0	110.5	R582 R583 V586 C591 I621	R582-C619 CarbonylContact C-O 3.19Å; R582-C619 VanDerWaalsContact CA-O 3.25Å; R582-C619 WeakPolarHBondContact CA-O 3.43Å; R583-C619 PolarHBondContact N-O 2.78Å; R583-C619 PolarHBondContact O-N 2.99Å; V586-C619 HydrophobicContact CG2-CB 3.5Å; V586-C619 VanDerWaalsContact CG2-CB 3.5Å; C591-C619 WeakPolarHBondContact CA-SG 3.45Å; C591-C619 HydrophobicContact CB-CB 3.53Å; C591-C619 WeakPolarHBondContact CB-SG 3.13Å; C591-C619 WeakPolarHBondContact SG-CB 3.44Å; C591-C619 CovalentContact SG-SG 2.02Å; C591-C619 PolarHBondContact SG-SG 3.25Å; C619-I621 WeakPolarHBondContact SG-CD1 3.46Å
620	D	93.1	Very high	84.8	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	111.9	175.8	-73.8	-37.1	0	0	0	109.9	P579 R582 A610 V611 F622 R639	P579-D620 HydrophobicContact CB-CB 3.98Å; P579-D620 HydrophobicContact CG-CB 4.2Å; R582-D620 IonicContact CZ-OD1 3.84Å; R582-D620 IonicContact CZ-OD2 2.99Å; R582-D620 IonicContact NE-OD1 2.75Å; R582-D620 PolarHBondContact NE-OD1 3Å; R582-D620 VanDerWaalsContact NH2-CG 3.26Å; R582-D620 IonicContact NH2-OD1 3.16Å; R582-D620 PolarHBondContact NH2-OD1 2.89Å; R582-D620 IonicContact NH2-OD2 3.79Å; R582-D620 PolarHBondContact NH2-OD2 2.04Å; A610-D620 CarbonylContact C-O 3.58Å; A610-D620 VanDerWaalsContact CA-O 3.29Å; A610-D620 WeakPolarHBondContact CA-O 3.39Å; V611-D620 HydrophobicContact CB-CB 4.25Å; V611-D620 PolarHBondContact N-O 2.77Å; V611-D620 PolarHBondContact O-N 3.36Å; D620-F622 HydrophobicContact CB-CD2 4.32Å; D620-F622 HydrophobicContact CB-CE2 3.48Å; D620-F622 VanDerWaalsContact CB-CE2 3.48Å; D620-F622 HydrophobicContact CB-CZ 4.05Å; D620-F622 VanDerWaalsContact O-CD2 3.27Å; D620-F622 WeakPolarHBondContact O-CD2 3.44Å; D620-F622 WeakPolarHBondContact O-CE2 3.04Å; D620-R639 IonicContact OD2-CZ 3.29Å; D620-R639 IonicContact OD2-NH1 2.77Å; D620-R639 PolarHBondContact OD2-NH1 2.95Å; D620-R639 IonicContact OD2-NH2 2.69Å
621	I	92.3	Very high	84.1	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	123.8	-178.6	-51.4	-64.4	0	0	0	110.8	P579 F580 E581 L594 C595 C607 A610 C619	P579-I621 CarbonylContact C-O 3.52Å; P579-I621 WeakPolarHBondContact CA-O 3.44Å; P579-I621 VanDerWaalsContact CB-O 3.27Å; P579-I621 WeakPolarHBondContact CB-O 2.88Å; F580-I621 HydrophobicContact CD1-CG2 4.5Å; F580-I621 WeakPolarHBondContact CD1-O 3.01Å; F580-I621 HydrophobicContact CE1-CG2 3.71Å; F580-I621 HydrophobicContact CE2-CG2 3.99Å; F580-I621 HydrophobicContact CZ-CB 4.38Å; F580-I621 HydrophobicContact CZ-CG2 3.42Å; F580-I621 VanDerWaalsContact CZ-CG2 3.42Å; F580-I621 PolarHBondContact N-O 3.24Å; E581-I621 HydrophobicContact CB-CB 4.2Å; E581-I621 HydrophobicContact CB-CG1 4.37Å; E581-I621 PolarHBondContact O-N 3.41Å; L594-I621 HydrophobicContact CD2-CD1 4.02Å; L594-I621 HydrophobicContact CD2-CG1 3.8Å; L594-I621 HydrophobicContact CG-CD1 4.04Å; L594-I621 HydrophobicContact CG-CG1 4.07Å; C595-I621 HydrophobicContact CB-CD1 4.13Å; C607-I621 HydrophobicContact CB-CG2 3.95Å; A610-I621 HydrophobicContact CB-CD1 3.74Å; C619-I621 WeakPolarHBondContact SG-CD1 3.46Å
622	F	90.6	Very high	83.4	Confident	4 Å²	4	45.7 Å²	45.7	2%	0.018	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	141.9	-173.1	-64.8	-100.6	0	0	0	113.3	I574 A577 Y578 P579 K608 S609 V611 D620 V624	I574-F622 HydrophobicContact CB-CE1 4.45Å; I574-F622 HydrophobicContact CD1-CD2 4.2Å; I574-F622 HydrophobicContact CD1-CG 4.21Å; A577-F622 HydrophobicContact CB-CD1 3.71Å; A577-F622 HydrophobicContact CB-CE1 3.77Å; Y578-F622 VanDerWaalsContact C-CE1 3.47Å; Y578-F622 WeakPolarHBondContact O-CD1 3.47Å; P579-F622 HydrophobicContact CB-CD1 4.38Å; P579-F622 HydrophobicContact CB-CD2 4.39Å; P579-F622 HydrophobicContact CB-CE1 4.26Å; P579-F622 HydrophobicContact CB-CE2 4.25Å; P579-F622 HydrophobicContact CB-CG 4.45Å; P579-F622 HydrophobicContact CB-CZ 4.19Å; P579-F622 HydrophobicContact CG-CE1 4.43Å; P579-F622 HydrophobicContact CG-CZ 4.32Å; K608-F622 PolarHBondContact N-O 2.97Å; S609-F622 PolarHBondContact N-O 2.83Å; S609-F622 PolarHBondContact O-N 3.1Å; V611-F622 HydrophobicContact CB-CE2 3.99Å; V611-F622 HydrophobicContact CG2-CD2 4.06Å; V611-F622 HydrophobicContact CG2-CE2 3.51Å; V611-F622 HydrophobicContact CG2-CZ 4.33Å; D620-F622 HydrophobicContact CB-CD2 4.32Å; D620-F622 HydrophobicContact CB-CE2 3.48Å; D620-F622 VanDerWaalsContact CB-CE2 3.48Å; D620-F622 HydrophobicContact CB-CZ 4.05Å; D620-F622 VanDerWaalsContact O-CD2 3.27Å; D620-F622 WeakPolarHBondContact O-CD2 3.44Å; D620-F622 WeakPolarHBondContact O-CE2 3.04Å; F622-V624 HydrophobicContact CB-CG2 4.08Å; F622-V624 HydrophobicContact CD1-CG2 4.39Å; F622-V624 PolarHBondContact O-N 2.87Å
623	A	88.5	Confident	83	Confident	22 Å²	22	47.4 Å²	47.4	18%	0.182	27%	0.273	C	S	.	.	S	Bend	trans	-80.5	8.8	173.7	0	0	0	0	0	113.7	F580 Y605 I606 K608	F580-A623 HydrophobicContact CD1-CB 3.86Å; F580-A623 HydrophobicContact CE1-CB 4.12Å; Y605-A623 HydrophobicContact CD1-CB 3.98Å; Y605-A623 HydrophobicContact CG-CB 4.49Å; I606-A623 WeakPolarHBondContact O-CA 3.29Å; K608-A623 WeakPolarHBondContact CD-O 3.3Å; K608-A623 PolarHBondContact NZ-O 3.4Å
624	V	87.3	Confident	82.6	Confident	41 Å²	41	51.4 Å²	51.4	25%	0.248	29%	0.294	C	S	.	.	S	Bend	trans	-129.8	155.6	-178.6	-69.2	0	0	0	0	110	A577 K608 S609 F622 G626 Q631	A577-V624 HydrophobicContact CB-CG2 3.72Å; K608-V624 CarbonylContact C-O 3.53Å; K608-V624 VanDerWaalsContact CB-C 3.49Å; S609-V624 PolarHBondContact N-O 3.22Å; S609-V624 PolarHBondContact OG-O 3.07Å; F622-V624 HydrophobicContact CB-CG2 4.08Å; F622-V624 HydrophobicContact CD1-CG2 4.39Å; F622-V624 PolarHBondContact O-N 2.87Å; V624-G626 VanDerWaalsContact C-N 3.33Å; V624-Q631 HydrophobicContact CG2-CG 4.16Å
625	D	84.3	Confident	82.3	Confident	34 Å²	34	55.3 Å²	55.3	18%	0.182	31%	0.305	C	S	.	.			trans	-83.7	-12.8	175.8	56.9	12.2	0	0	0	113	L627 N628 Y633 R643	D625-L627 HydrophobicContact CB-CG 4.49Å; D625-L627 PolarHBondContact O-N 3.26Å; D625-L627 PolarHBondContact OD1-N 2.99Å; D625-N628 PolarHBondContact OD1-ND2 3.36Å; D625-N628 PolarHBondContact OD2-ND2 2.63Å; D625-Y633 WeakPolarHBondContact O-CE1 3.23Å; D625-Y633 PolarHBondContact O-OH 3.1Å; D625-R643 HydrophobicContact CB-CG 4.41Å; D625-R643 WeakPolarHBondContact O-CD 3.24Å
626	G	77.4	Confident	82.2	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.286	C	S	.	.	S	Bend	trans	72.4	10.6	-175.1	0	0	0	0	0	114.9	V624 H632 Y633	V624-G626 VanDerWaalsContact C-N 3.33Å; G626-H632 CarbonylContact O-C 3.57Å; G626-H632 VanDerWaalsContact O-CA 3.3Å; G626-H632 WeakPolarHBondContact O-CA 3.26Å; G626-Y633 WeakPolarHBondContact O-CD1 3.14Å; G626-Y633 WeakPolarHBondContact O-CE1 3.34Å
627	L	75.8	Confident	82	Confident	97 Å²	97	55.8 Å²	55.8	51%	0.508	29%	0.294	S	S	.	.			trans	-104.3	-2.6	-176	-61.9	176.6	0	0	0	113.6	D625 Y633	D625-L627 HydrophobicContact CB-CG 4.49Å; D625-L627 PolarHBondContact O-N 3.26Å; D625-L627 PolarHBondContact OD1-N 2.99Å; L627-Y633 HydrophobicContact CD2-CD1 4.49Å; L627-Y633 HydrophobicContact CD2-CD2 4.29Å; L627-Y633 HydrophobicContact CD2-CE1 3.94Å; L627-Y633 HydrophobicContact CD2-CE2 3.7Å; L627-Y633 HydrophobicContact CG-CE1 4.38Å
628	N	74.1	Confident	81.7	Confident	81 Å²	81	50.9 Å²	50.9	43%	0.433	28%	0.277	S	S	.	.	S	Bend	trans	-119	129.2	-175	-63.2	-91.5	0	0	0	110.5	D625 Q631	D625-N628 PolarHBondContact OD1-ND2 3.36Å; D625-N628 PolarHBondContact OD2-ND2 2.63Å; N628-Q631 CarbonylContact C-O 3.54Å; N628-Q631 WeakPolarHBondContact O-CA 3.44Å; N628-Q631 VanDerWaalsContact O-CB 3.29Å; N628-Q631 WeakPolarHBondContact O-CB 3.35Å; N628-Q631 PolarHBondContact O-N 2.76Å; N628-Q631 PolarHBondContact O-OE1 2.77Å
629	S	52.3	Low	81.7	Confident	120 Å²	120	51 Å²	51	84%	0.839	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	134.5	175.8	-175.6	0	0	0	0	111.5
630	P	70.1	Confident	81.6	Confident	70 Å²	70	51 Å²	51	46%	0.455	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	cis	-82.7	-7	13	32.9	-35.6	0	0	0	115.6	N576 H632	N576-P630 HydrophobicContact CB-CB 4.37Å; N576-P630 WeakPolarHBondContact CB-O 3.35Å; N576-P630 PolarHBondContact ND2-O 3.47Å; P630-H632 PolarHBondContact O-ND1 3.44Å
631	Q	78.2	Confident	81.6	Confident	39 Å²	39	51 Å²	51	18%	0.182	28%	0.278	C	S	.	.			trans	-69.5	147.4	176.3	-63.2	76.9	53.8	0	0	112.2	I574 S575 N576 A577 V624 N628	I574-Q631 HydrophobicContact CG2-CB 4.17Å; I574-Q631 HydrophobicContact CG2-CG 4.32Å; S575-Q631 WeakPolarHBondContact O-CA 3.32Å; N576-Q631 WeakPolarHBondContact O-CG 3.43Å; N576-Q631 PolarHBondContact O-NE2 2.92Å; A577-Q631 HydrophobicContact CB-CG 3.71Å; V624-Q631 HydrophobicContact CG2-CG 4.16Å; N628-Q631 CarbonylContact C-O 3.54Å; N628-Q631 WeakPolarHBondContact O-CA 3.44Å; N628-Q631 VanDerWaalsContact O-CB 3.29Å; N628-Q631 WeakPolarHBondContact O-CB 3.35Å; N628-Q631 PolarHBondContact O-N 2.76Å; N628-Q631 PolarHBondContact O-OE1 2.77Å
632	H	78.4	Confident	81.6	Confident	93 Å²	93	51 Å²	51	43%	0.431	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	169.2	168.3	52.6	-80.1	0	0	0	110	S575 G626 P630	S575-H632 PolarHBondContact N-O 3.41Å; S575-H632 PolarHBondContact OG-CD2 2.81Å; S575-H632 PolarHBondContact OG-CE1 2.73Å; S575-H632 PolarHBondContact OG-ND1 2.89Å; S575-H632 PolarHBondContact OG-NE2 2.65Å; S575-H632 PolarHBondContact OG-O 2.74Å; S575-H632 VanDerWaalsContact OG-O 3.04Å; G626-H632 CarbonylContact O-C 3.57Å; G626-H632 VanDerWaalsContact O-CA 3.3Å; G626-H632 WeakPolarHBondContact O-CA 3.26Å; P630-H632 PolarHBondContact O-ND1 3.44Å
633	Y	86.2	Confident	81.7	Confident	55 Å²	55	53.1 Å²	53.1	22%	0.216	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	130.1	172.1	-68.9	-2.7	0	0	0	109.7	I574 D625 G626 L627 I641 R643	I574-Y633 HydrophobicContact CD1-CE1 4.45Å; I574-Y633 HydrophobicContact CG1-CD1 4.19Å; I574-Y633 HydrophobicContact CG1-CE1 4.03Å; D625-Y633 WeakPolarHBondContact O-CE1 3.23Å; D625-Y633 PolarHBondContact O-OH 3.1Å; G626-Y633 WeakPolarHBondContact O-CD1 3.14Å; G626-Y633 WeakPolarHBondContact O-CE1 3.34Å; L627-Y633 HydrophobicContact CD2-CD1 4.49Å; L627-Y633 HydrophobicContact CD2-CD2 4.29Å; L627-Y633 HydrophobicContact CD2-CE1 3.94Å; L627-Y633 HydrophobicContact CD2-CE2 3.7Å; L627-Y633 HydrophobicContact CG-CE1 4.38Å; Y633-I641 HydrophobicContact CD1-CD1 3.38Å; Y633-I641 HydrophobicContact CD2-CD1 3.79Å; Y633-I641 HydrophobicContact CE1-CD1 3.42Å; Y633-I641 VanDerWaalsContact CE1-CD1 3.42Å; Y633-I641 HydrophobicContact CE1-CG2 4.39Å; Y633-I641 HydrophobicContact CE2-CD1 3.84Å; Y633-I641 HydrophobicContact CG-CD1 3.57Å; Y633-R643 VanDerWaalsContact OH-CD 3.23Å; Y633-R643 WeakPolarHBondContact OH-CD 3.42Å; Y633-R643 PolarHBondContact OH-NE 2.78Å
634	L	83.2	Confident	81.7	Confident	89 Å²	89	53 Å²	53	47%	0.466	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	129.3	173.5	-179.3	65.9	0	0	0	108.2	C572 T573 Y636	C572-L634 WeakPolarHBondContact CA-O 3.39Å; T573-L634 HydrophobicContact CG2-CB 4.19Å; T573-L634 PolarHBondContact N-O 3.36Å; T573-L634 PolarHBondContact O-N 3.44Å; L634-Y636 PolarHBondContact O-N 2.87Å
635	K	78.1	Confident	81.5	Confident	135 Å²	135	53.5 Å²	53.5	59%	0.587	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.9	124.9	176.7	-174.4	167.3	-175.3	162.7	0	109.7	E571	E571-K635 CarbonylContact O-C 3.49Å; E571-K635 WeakPolarHBondContact O-CA 3.41Å; E571-K635 WeakPolarHBondContact O-CG 3.4Å; E571-K635 IonicContact OE1-NZ 3.89Å; E571-K635 WeakPolarHBondContact OE2-CE 3.21Å; E571-K635 IonicContact OE2-NZ 2.65Å; E571-K635 PolarHBondContact OE2-NZ 2.86Å
636	Y	80.7	Confident	81.1	Confident	83 Å²	83	53.6 Å²	53.6	33%	0.325	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	101.1	-179.6	-160.5	-75.9	0	0	0	109.4	E571 T573 L634 R639	E571-Y636 CarbonylContact C-O 3.56Å; E571-Y636 CarbonylContact O-C 3.52Å; E571-Y636 PolarHBondContact O-N 2.81Å; T573-Y636 HydrophobicContact CG2-CD2 4.25Å; T573-Y636 HydrophobicContact CG2-CG 4.2Å; L634-Y636 PolarHBondContact O-N 2.87Å; Y636-R639 HydrophobicContact CD1-CB 4.1Å; Y636-R639 HydrophobicContact CD1-CG 3.67Å; Y636-R639 HydrophobicContact CE1-CG 4.16Å; Y636-R639 HydrophobicContact CG-CG 4.49Å; Y636-R639 PolarHBondContact O-N 2.97Å
637	P	80.6	Confident	81	Confident	84 Å²	84	58.6 Å²	58.6	55%	0.545	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	147	176.1	-25.7	35.7	0	0	0	112.3	R639	P637-R639 PolarHBondContact O-N 3.09Å
638	G	81.3	Confident	81	Confident	18 Å²	18	54.9 Å²	54.9	19%	0.186	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	80.4	-11	-174.1	0	0	0	0	0	115.2	S614	S614-G638 PolarHBondContact N-O 3.43Å; S614-G638 PolarHBondContact OG-O 2.83Å
639	R	89.8	Confident	80.6	Confident	7 Å²	7	57.3 Å²	57.3	3%	0.026	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	156.6	174.6	-71.5	-175.1	173.4	-118.8	-16.5	113	Y93 E571 C572 V611 Y612 D613 S618 D620 Y636 P637	Y93-R639 PolarHBondContact OH-NH1 2.87Å; E571-R639 VanDerWaalsContact CA-O 3.22Å; E571-R639 WeakPolarHBondContact CA-O 3.48Å; E571-R639 PolarHBondContact N-O 3.1Å; C572-R639 PolarHBondContact N-O 2.74Å; C572-R639 CarbonylContact O-C 3.24Å; C572-R639 WeakPolarHBondContact O-CB 3.46Å; V611-R639 HydrophobicContact CG1-CB 4.1Å; V611-R639 HydrophobicContact CG1-CG 4.38Å; Y612-R639 CarbonylContact O-C 3.6Å; Y612-R639 VanDerWaalsContact O-CA 3.29Å; Y612-R639 WeakPolarHBondContact O-CA 3.38Å; D613-R639 HydrophobicContact CB-CG 3.84Å; D613-R639 IonicContact OD2-CZ 2.73Å; D613-R639 IonicContact OD2-NE 3.2Å; D613-R639 PolarHBondContact OD2-NE 2.82Å; D613-R639 IonicContact OD2-NH2 3.6Å; D613-R639 PolarHBondContact OD2-NH2 3.02Å; S618-R639 PolarHBondContact OG-NH2 3.48Å; D620-R639 IonicContact OD2-CZ 3.29Å; D620-R639 IonicContact OD2-NH1 2.77Å; D620-R639 PolarHBondContact OD2-NH1 2.95Å; D620-R639 IonicContact OD2-NH2 2.69Å; Y636-R639 HydrophobicContact CD1-CB 4.1Å; Y636-R639 HydrophobicContact CD1-CG 3.67Å; Y636-R639 HydrophobicContact CE1-CG 4.16Å; Y636-R639 HydrophobicContact CG-CG 4.49Å; Y636-R639 PolarHBondContact O-N 2.97Å; P637-R639 PolarHBondContact O-N 3.09Å
640	S	91.2	Very high	80.9	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	135.3	172.1	-68.5	0	0	0	0	110.4	M558 V611 Y612 Y642	M558-S640 PolarHBondContact N-OG 3.3Å; V611-S640 WeakPolarHBondContact CA-O 3.17Å; Y612-S640 PolarHBondContact N-O 2.81Å; Y612-S640 PolarHBondContact O-N 3.03Å; S640-Y642 WeakPolarHBondContact CB-OH 3.33Å; S640-Y642 WeakPolarHBondContact O-CD2 2.91Å; S640-Y642 VanDerWaalsContact O-CE2 3.25Å; S640-Y642 WeakPolarHBondContact O-CE2 3.23Å
641	I	92.6	Very high	80	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	137.9	178.7	-44.1	175.6	0	0	0	108.8	A568 S569 C572 I574 A610 V611 Y633	A568-I641 CarbonylContact C-O 3.53Å; A568-I641 VanDerWaalsContact CA-O 3.26Å; A568-I641 WeakPolarHBondContact CA-O 3.39Å; S569-I641 PolarHBondContact N-O 3.45Å; S569-I641 PolarHBondContact O-N 3.07Å; C572-I641 HydrophobicContact CB-CD1 3.55Å; C572-I641 HydrophobicContact CB-CG1 3.82Å; C572-I641 WeakPolarHBondContact O-CG1 3.49Å; I574-I641 HydrophobicContact CD1-CG2 4.05Å; I574-I641 HydrophobicContact CG1-CD1 3.76Å; I574-I641 HydrophobicContact CG1-CG1 4.38Å; I574-I641 HydrophobicContact CG1-CG2 4.26Å; A610-I641 CarbonylContact O-C 3.53Å; A610-I641 WeakPolarHBondContact O-CA 3.25Å; V611-I641 HydrophobicContact CG2-CB 4.3Å; V611-I641 HydrophobicContact CG2-CG1 3.97Å; V611-I641 HydrophobicContact CG2-CG2 4.11Å; Y633-I641 HydrophobicContact CD1-CD1 3.38Å; Y633-I641 HydrophobicContact CD2-CD1 3.79Å; Y633-I641 HydrophobicContact CE1-CD1 3.42Å; Y633-I641 VanDerWaalsContact CE1-CD1 3.42Å; Y633-I641 HydrophobicContact CE1-CG2 4.39Å; Y633-I641 HydrophobicContact CE2-CD1 3.84Å; Y633-I641 HydrophobicContact CG-CD1 3.57Å
642	Y	93.2	Very high	78	Confident	0 Å²	0	61 Å²	61	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	116	175.1	-54.8	-85.7	0	0	0	109	P557 M558 C559 F561 A568 L592 S609 A610 S640	P557-Y642 HydrophobicContact CB-CE1 3.97Å; M558-Y642 PolarHBondContact N-OH 3.49Å; C559-Y642 HydrophobicContact CB-CE1 3.75Å; C559-Y642 HydrophobicContact CB-CE2 4.31Å; C559-Y642 WeakPolarHBondContact CB-OH 3.42Å; C559-Y642 PolarHBondContact N-OH 2.91Å; F561-Y642 HydrophobicContact CD1-CE1 4.29Å; A568-Y642 HydrophobicContact CB-CD1 3.73Å; A568-Y642 HydrophobicContact CB-CE1 3.71Å; L592-Y642 HydrophobicContact CD2-CD1 3.97Å; L592-Y642 HydrophobicContact CD2-CD2 3.79Å; L592-Y642 HydrophobicContact CD2-CE2 4.5Å; L592-Y642 HydrophobicContact CD2-CG 3.49Å; L592-Y642 VanDerWaalsContact CD2-CG 3.49Å; S609-Y642 CarbonylContact C-O 3.43Å; S609-Y642 VanDerWaalsContact CA-O 3.22Å; S609-Y642 WeakPolarHBondContact CA-O 3.17Å; A610-Y642 PolarHBondContact N-O 3.18Å; A610-Y642 PolarHBondContact O-N 3.14Å; S640-Y642 WeakPolarHBondContact CB-OH 3.33Å; S640-Y642 WeakPolarHBondContact O-CD2 2.91Å; S640-Y642 VanDerWaalsContact O-CE2 3.25Å; S640-Y642 WeakPolarHBondContact O-CE2 3.23Å
643	R	91.3	Very high	75.7	Confident	47 Å²	47	63.5 Å²	63.5	18%	0.177	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	120.7	172.6	-75.9	172.9	-77.9	99.6	4.2	109.2	F566 K567 S569 D625 Y633	F566-R643 CarbonylContact C-O 3.51Å; F566-R643 WeakPolarHBondContact CA-O 3.31Å; K567-R643 PolarHBondContact N-O 3.05Å; K567-R643 PolarHBondContact O-N 3.18Å; S569-R643 PolarHBondContact OG-NH2 2.59Å; S569-R643 VanDerWaalsContact OG-NH2 3.16Å; D625-R643 HydrophobicContact CB-CG 4.41Å; D625-R643 WeakPolarHBondContact O-CD 3.24Å; Y633-R643 VanDerWaalsContact OH-CD 3.23Å; Y633-R643 WeakPolarHBondContact OH-CD 3.42Å; Y633-R643 PolarHBondContact OH-NE 2.78Å
644	P	88.8	Confident	73.2	Confident	20 Å²	20	66.4 Å²	66.4	13%	0.13	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	149.7	173.5	28.3	-34.1	0	0	0	110.2	C565 F566 L596 Q599	C565-P644 CarbonylContact O-C 3.47Å; C565-P644 WeakPolarHBondContact O-CA 2.97Å; F566-P644 HydrophobicContact CD1-CB 4.17Å; F566-P644 HydrophobicContact CE1-CB 3.84Å; F566-P644 HydrophobicContact CE1-CG 4.46Å; F566-P644 HydrophobicContact CZ-CB 4.42Å; L596-P644 HydrophobicContact CD2-CB 4.42Å; Q599-P644 VanDerWaalsContact OE1-CB 3.23Å
645	T	83.9	Confident	70.7	Confident	51 Å²	51	66.9 Å²	66.9	31%	0.313	39%	0.388	S	S	.	.			trans	-85	-25.8	177.4	57.3	0	0	0	0	112.8	Q564 C565 K567 V647	Q564-T645 VanDerWaalsContact O-CB 3.3Å; Q564-T645 WeakPolarHBondContact O-CB 3.23Å; Q564-T645 WeakPolarHBondContact O-CG2 3.28Å; Q564-T645 PolarHBondContact O-OG1 3.29Å; C565-T645 PolarHBondContact O-N 3.16Å; C565-T645 PolarHBondContact O-OG1 3.27Å; C565-T645 VanDerWaalsContact O-OG1 3.13Å; K567-T645 HydrophobicContact CD-CG2 4.47Å; K567-T645 HydrophobicContact CG-CG2 4.2Å; T645-V647 PolarHBondContact OG1-N 3.42Å; T645-V647 VanDerWaalsContact OG1-N 3.16Å
646	G	76	Confident	68.4	Low	36 Å²	36	63.5 Å²	63.5	37%	0.371	39%	0.392	S	S	.	.	S	Bend	trans	87	3.6	-167.5	0	0	0	0	0	114.7	Q599	Q599-G646 VanDerWaalsContact NE2-CA 3.31Å
647	V	75.7	Confident	66	Low	106 Å²	106	68.1 Å²	68.1	64%	0.642	42%	0.422	S	S	*	.	S	Bend	trans	-82.1	-35.5	177.4	-179.9	0	0	0	0	112	T645	T645-V647 PolarHBondContact OG1-N 3.42Å; T645-V647 VanDerWaalsContact OG1-N 3.16Å
648	C	75.8	Confident	63.8	Low	19 Å²	19	69 Å²	69	13%	0.128	43%	0.427	C	S	.	.			trans	-104.7	145.1	-173.8	-53.2	0	0	0	0	112.3	C565 L596 F600	C565-C648 WeakPolarHBondContact CA-SG 3.33Å; C565-C648 HydrophobicContact CB-CB 3.6Å; C565-C648 WeakPolarHBondContact CB-SG 3.41Å; C565-C648 WeakPolarHBondContact SG-CB 3.45Å; C565-C648 CovalentContact SG-SG 2.02Å; C565-C648 PolarHBondContact SG-SG 3.39Å; L596-C648 HydrophobicContact CD2-CB 4.49Å; F600-C648 WeakPolarHBondContact CE2-O 3.34Å
649	Q	65.3	Low	61.5	Low	131 Å²	131	77.1 Å²	77.1	61%	0.612	46%	0.46	S	S	*	.			trans	-97.6	160.6	165.7	-71.7	-179.3	-10	0	0	109.3	F600 H651	F600-Q649 HydrophobicContact CD2-CG 4.49Å; F600-Q649 HydrophobicContact CE2-CG 4.17Å; Q649-H651 PolarHBondContact O-N 3.1Å
650	P	58	Low	58.9	Low	51 Å²	51	86 Å²	86	33%	0.331	50%	0.502	S	S	.	.			trans	-58.6	130.5	174.7	25.8	-35.5	0	0	0	110.1	L596 T652	L596-P650 HydrophobicContact CB-CB 3.95Å; L596-P650 HydrophobicContact CB-CG 4.5Å; P650-T652 PolarHBondContact O-N 3.16Å
651	H	52.4	Low	56.8	Low	138 Å²	138	89.7 Å²	89.7	64%	0.639	52%	0.524	S	S	*	.			trans	-71.7	102.2	179.5	-70.3	-71.7	0	0	0	110.6	Q649 T653	Q649-H651 PolarHBondContact O-N 3.1Å; H651-T653 PolarHBondContact O-N 2.88Å
652	T	35.8	Very low	54.9	Low	118 Å²	118	93.5 Å²	93.5	72%	0.724	55%	0.549	S	S	*	.			trans	-58.5	133.2	148.5	40.1	0	0	0	0	108.1	P650 T654	P650-T652 PolarHBondContact O-N 3.16Å; T652-T654 PolarHBondContact O-N 2.02Å
653	T	30.3	Very low	53.2	Low	145 Å²	145	100.1 Å²	100.1	89%	0.89	59%	0.585	S	S	*	*			trans	-74.5	71.7	-171.1	-46.8	0	0	0	0	112.2	H651 A655	H651-T653 PolarHBondContact O-N 2.88Å; T653-A655 PolarHBondContact O-N 2.95Å
654	T	34	Very low	52.2	Low	116 Å²	116	98.8 Å²	98.8	71%	0.712	58%	0.582	S	S	*	*			trans	-83.8	109.3	173.3	-54.7	0	0	0	0	109.6	T652	T652-T654 PolarHBondContact O-N 2.02Å
655	A	29.1	Very low	51.9	Low	99 Å²	99	98.5 Å²	98.5	82%	0.818	58%	0.58	S	S	*	*			trans	-83.3	123.6	176.7	0	0	0	0	0	111.2	T653	T653-A655 PolarHBondContact O-N 2.95Å
656	G	30.6	Very low	51.9	Low	64 Å²	64	100 Å²	100	66%	0.66	59%	0.591	S	S	*	*			trans	95.5	125.5	166.8	0	0	0	0	0	115.6
657	L	30.2	Very low	51.9	Low	181 Å²	181	107.5 Å²	107.5	95%	0.948	62%	0.616	S	S	*	*			trans	-71.5	133.3	150.4	-76.3	139.5	0	0	0	107.9
658	P	35.5	Very low	52	Low	102 Å²	102	105.7 Å²	105.7	66%	0.662	62%	0.619	S	S	*	*				-145.5	147.6	119.6	35.7	-20.8	0	0	0	115.8
659	E	32.5	Very low	52.5	Low	189 Å²	189	107.6 Å²	107.6	88%	0.883	63%	0.627	S	S	*	*	S	Bend	trans	62.8	169.6	153.2	-64.8	-177.2	124.9	0	0	119.8	V661	E659-V661 PolarHBondContact O-N 3.18Å
660	E	34.5	Very low	53.5	Low	193 Å²	193	105.3 Å²	105.3	90%	0.902	62%	0.617	S	S	*	*			trans	-79	106.1	-155.7	-61.1	-178.7	136.5	0	0	113.4
661	V	46.7	Very low	54.9	Low	77 Å²	77	104.8 Å²	104.8	47%	0.467	61%	0.613	S	S	.	*			trans	-68.2	125.9	163.5	-178.4	0	0	0	0	108.7	E659 N663	E659-V661 PolarHBondContact O-N 3.18Å; V661-N663 PolarHBondContact O-N 3.44Å
662	P	52.7	Low	56.6	Low	80 Å²	80	99 Å²	99	52%	0.519	59%	0.586	S	S	.	*			trans	-59.5	128	177.9	-24.1	34.1	0	0	0	111.4	T664	P662-T664 PolarHBondContact O-N 2.84Å
663	N	58.5	Low	59.2	Low	140 Å²	140	93.5 Å²	93.5	75%	0.749	55%	0.552	S	S	*	*			trans	-52.2	104.2	-177.8	-78.1	-23.7	0	0	0	112	V661 C665	V661-N663 PolarHBondContact O-N 3.44Å; N663-C665 PolarHBondContact O-N 2.89Å
664	T	70.7	Confident	62	Low	19 Å²	19	86.6 Å²	86.6	12%	0.117	51%	0.51	C	S	.	.	S	Bend	trans	-60.3	-31.5	-177.6	-55	0	0	0	0	112.1	P662 P671 P717 R719 V752	P662-T664 PolarHBondContact O-N 2.84Å; T664-P671 HydrophobicContact CG2-CB 4.14Å; T664-P717 HydrophobicContact CG2-CB 4.28Å; T664-R719 VanDerWaalsContact O-CZ 3.31Å; T664-R719 PolarHBondContact O-NH1 2.83Å; T664-R719 PolarHBondContact O-NH2 3.14Å; T664-V752 HydrophobicContact CG2-CG1 3.92Å
665	C	82.3	Confident	64.7	Low	14 Å²	14	83.3 Å²	83.3	10%	0.095	49%	0.486	C	S	.	.	S	Bend	trans	-123.8	156.6	-179.2	-70.8	0	0	0	0	112.3	N663 L669 C754	N663-C665 PolarHBondContact O-N 2.89Å; C665-L669 HydrophobicContact CB-CB 4.09Å; C665-L669 WeakPolarHBondContact CB-O 3.03Å; C665-C754 WeakPolarHBondContact CA-SG 3.13Å; C665-C754 HydrophobicContact CB-CB 3.72Å; C665-C754 WeakPolarHBondContact CB-SG 3.47Å; C665-C754 WeakPolarHBondContact SG-CA 3.48Å; C665-C754 WeakPolarHBondContact SG-CB 3.43Å; C665-C754 CovalentContact SG-SG 2.04Å; C665-C754 PolarHBondContact SG-SG 2.85Å
666	P	82.9	Confident	67.6	Low	82 Å²	82	78.6 Å²	78.6	53%	0.532	45%	0.448	S	S	.	.			trans	-57.9	156.4	170.1	-22.7	33.8	0	0	0	112.6	G668 L669	P666-G668 PolarHBondContact O-N 2.81Å; P666-L669 HydrophobicContact CG-CD1 4.44Å; P666-L669 PolarHBondContact O-N 2.93Å
667	E	77	Confident	70.3	Confident	193 Å²	193	77.4 Å²	77.4	90%	0.902	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	131.4	179.2	-64.7	-173.5	163.9	0	0	112.3
668	G	78	Confident	72.9	Confident	68 Å²	68	69.9 Å²	69.9	70%	0.701	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.6	-3.3	-177.6	0	0	0	0	0	115.6	P666	P666-G668 PolarHBondContact O-N 2.81Å
669	L	86.5	Confident	75.3	Confident	59 Å²	59	66.2 Å²	66.2	31%	0.309	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	142	172.9	-60.3	176.1	0	0	0	111.1	C665 P666 C754 P756	C665-L669 HydrophobicContact CB-CB 4.09Å; C665-L669 WeakPolarHBondContact CB-O 3.03Å; P666-L669 HydrophobicContact CG-CD1 4.44Å; P666-L669 PolarHBondContact O-N 2.93Å; L669-C754 HydrophobicContact CB-CB 3.98Å; L669-C754 HydrophobicContact CD1-CB 3.96Å; L669-P756 HydrophobicContact CD2-CG 3.98Å
670	Q	85.6	Confident	77.5	Confident	84 Å²	84	57.5 Å²	57.5	39%	0.393	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	144.6	178.7	-65.3	-64.2	-12	0	0	110.6	L755 E757 V760	Q670-L755 PolarHBondContact N-O 3.1Å; Q670-L755 PolarHBondContact O-N 2.96Å; Q670-E757 HydrophobicContact CG-CB 3.94Å; Q670-E757 HydrophobicContact CG-CG 4.16Å; Q670-V760 HydrophobicContact CB-CB 4.22Å; Q670-V760 HydrophobicContact CB-CG1 4.35Å; Q670-V760 HydrophobicContact CB-CG2 3.87Å
671	P	87.9	Confident	79.5	Confident	39 Å²	39	50.1 Å²	50.1	25%	0.253	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	138	179.8	30.8	-34.6	0	0	0	111.7	T664 L701 V752 L753	T664-P671 HydrophobicContact CG2-CB 4.14Å; P671-L701 HydrophobicContact CB-CD2 3.91Å; P671-L701 HydrophobicContact CG-CD2 4.44Å; P671-V752 HydrophobicContact CB-CG1 3.78Å; P671-L753 CarbonylContact C-O 3.55Å; P671-L753 WeakPolarHBondContact CA-O 3.29Å
672	K	88.1	Confident	80.5	Confident	17 Å²	17	55 Å²	55	7%	0.074	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	131.5	179.3	-173.1	71.5	-150.6	175.6	0	111	L753 L755 V760 C763 P764 N765 L767	K672-L753 PolarHBondContact N-O 3.04Å; K672-L753 PolarHBondContact O-N 2.65Å; K672-L755 HydrophobicContact CB-CD1 4.02Å; K672-L755 HydrophobicContact CB-CG 4.46Å; K672-L755 HydrophobicContact CG-CD1 4.1Å; K672-V760 HydrophobicContact CB-CG2 4.18Å; K672-V760 HydrophobicContact CD-CG1 4.16Å; K672-V760 HydrophobicContact CD-CG2 4.45Å; K672-C763 WeakPolarHBondContact CE-O 3.45Å; K672-C763 PolarHBondContact NZ-O 2.03Å; K672-P764 VanDerWaalsContact NZ-C 3.34Å; K672-P764 PolarHBondContact NZ-O 3.2Å; K672-N765 WeakPolarHBondContact CE-O 2.99Å; K672-N765 PolarHBondContact NZ-O 3.18Å; K672-L767 HydrophobicContact CG-CD1 3.87Å; K672-L767 HydrophobicContact CG-CG 4.02Å
673	V	89	Confident	81.1	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.012	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	126.8	174.5	166.9	0	0	0	0	111.6	L701 F750 N766 L767	V673-L701 HydrophobicContact CG2-CD1 3.55Å; V673-L701 HydrophobicContact CG2-CD2 3.9Å; V673-L701 HydrophobicContact CG2-CG 3.56Å; V673-F750 HydrophobicContact CG1-CB 4.16Å; V673-F750 HydrophobicContact CG1-CD1 3.66Å; V673-F750 HydrophobicContact CG1-CG 4.34Å; V673-N766 HydrophobicContact CG1-CB 4.16Å; V673-L767 PolarHBondContact O-N 2.79Å
674	A	89.6	Confident	81.6	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	127.5	154.4	0	0	0	0	0	109.7	F738 F750 K751 L753 L767 F769	A674-F738 HydrophobicContact CB-CE1 4.29Å; A674-F738 HydrophobicContact CB-CZ 4.09Å; A674-F750 CarbonylContact O-C 3.39Å; A674-F750 VanDerWaalsContact O-CA 3.24Å; A674-F750 WeakPolarHBondContact O-CA 3.37Å; A674-K751 HydrophobicContact CB-CB 4.32Å; A674-K751 PolarHBondContact N-O 2.04Å; A674-K751 PolarHBondContact O-N 3.34Å; A674-L753 HydrophobicContact CB-CD1 3.93Å; A674-L753 HydrophobicContact CB-CG 4.11Å; A674-L767 CarbonylContact C-O 3.51Å; A674-L767 VanDerWaalsContact CA-O 3.31Å; A674-L767 WeakPolarHBondContact CA-O 3.23Å; A674-F769 HydrophobicContact CB-CD2 3.47Å; A674-F769 VanDerWaalsContact CB-CD2 3.47Å; A674-F769 HydrophobicContact CB-CE2 3.43Å; A674-F769 VanDerWaalsContact CB-CE2 3.43Å; A674-F769 HydrophobicContact CB-CG 4.4Å; A674-F769 HydrophobicContact CB-CZ 4.36Å
675	E	91.1	Very high	81.9	Confident	47 Å²	47	56.9 Å²	56.9	22%	0.22	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	121.1	177.2	170.9	-170.2	116.1	0	0	109.1	T748 F750 N766 L767 F769 R847	E675-T748 HydrophobicContact CG-CG2 4.35Å; E675-F750 HydrophobicContact CB-CD1 4.19Å; E675-F750 HydrophobicContact CB-CE1 4.15Å; E675-F750 HydrophobicContact CG-CE1 4.03Å; E675-N766 HydrophobicContact CB-CB 4.08Å; E675-L767 PolarHBondContact N-O 2.77Å; E675-F769 PolarHBondContact O-N 2.8Å; E675-R847 IonicContact OE1-NH1 3.25Å; E675-R847 PolarHBondContact OE1-NH1 3.48Å
676	I	90.5	Very high	82	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	103	177.9	-43.8	110.7	0	0	0	108.8	Y679 F738 L741 T748 T749 K751 F769 P771	I676-Y679 HydrophobicContact CG2-CD2 4.13Å; I676-Y679 HydrophobicContact CG2-CG 4.36Å; I676-F738 HydrophobicContact CD1-CD1 4.12Å; I676-F738 HydrophobicContact CD1-CE1 3.77Å; I676-F738 HydrophobicContact CG1-CD1 3.87Å; I676-F738 HydrophobicContact CG1-CE1 3.68Å; I676-L741 HydrophobicContact CB-CD1 4.28Å; I676-L741 HydrophobicContact CD1-CD1 4.16Å; I676-L741 HydrophobicContact CG1-CD1 4.23Å; I676-L741 HydrophobicContact CG2-CD1 3.88Å; I676-T748 CarbonylContact O-C 3.56Å; I676-T748 WeakPolarHBondContact O-CA 3.22Å; I676-T749 HydrophobicContact CD1-CG2 3.94Å; I676-T749 WeakPolarHBondContact CD1-O 3.38Å; I676-T749 PolarHBondContact N-O 3.03Å; I676-T749 PolarHBondContact O-N 2.85Å; I676-K751 HydrophobicContact CD1-CB 4.14Å; I676-F769 HydrophobicContact CG1-CB 3.94Å; I676-P771 HydrophobicContact CG2-CG 4.14Å
677	A	85.9	Confident	82.2	Confident	38 Å²	38	58.8 Å²	58.8	31%	0.314	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	137.8	179.8	0	0	0	0	0	111.3	Y768	A677-Y768 HydrophobicContact CB-CE2 4.34Å
678	G	84.9	Confident	82.6	Confident	23 Å²	23	49.9 Å²	49.9	24%	0.237	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	82.1	11.5	178.5	0	0	0	0	0	114.9	D744 V747	G678-D744 CarbonylContact C-O 3.44Å; G678-D744 VanDerWaalsContact CA-O 3.25Å; G678-D744 WeakPolarHBondContact CA-O 3.22Å; G678-D744 CarbonylContact O-C 3.44Å; G678-D744 PolarHBondContact O-N 2.77Å; G678-V747 PolarHBondContact N-O 2.65Å
679	Y	85.8	Confident	82.5	Confident	25 Å²	25	50.5 Å²	50.5	10%	0.098	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	145.6	177.3	-67.3	-94.5	0	0	0	110.4	I676 L741 N742 T749 P771	I676-Y679 HydrophobicContact CG2-CD2 4.13Å; I676-Y679 HydrophobicContact CG2-CG 4.36Å; Y679-L741 HydrophobicContact CD1-CB 4.42Å; Y679-N742 CarbonylContact C-O 3.42Å; Y679-N742 VanDerWaalsContact CA-O 3.22Å; Y679-N742 WeakPolarHBondContact CA-O 3.34Å; Y679-T749 PolarHBondContact O-OG1 3.29Å; Y679-P771 HydrophobicContact CD1-CB 4.24Å; Y679-P771 HydrophobicContact CD1-CG 4.1Å; Y679-P771 HydrophobicContact CD2-CG 4.11Å; Y679-P771 HydrophobicContact CE1-CB 3.96Å; Y679-P771 HydrophobicContact CE1-CG 4.29Å; Y679-P771 HydrophobicContact CE2-CB 4.37Å; Y679-P771 HydrophobicContact CE2-CG 4.29Å; Y679-P771 HydrophobicContact CG-CG 4.03Å; Y679-P771 PolarHBondContact OH-O 2.71Å; Y679-P771 VanDerWaalsContact OH-O 3.12Å
680	G	79.7	Confident	82.1	Confident	6 Å²	6	53.8 Å²	53.8	6%	0.062	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	168.2	-174.4	0	0	0	0	0	115.1	N742 T749	G680-N742 PolarHBondContact N-O 3.32Å; G680-N742 PolarHBondContact O-N 3.33Å; G680-T749 WeakPolarHBondContact CA-OG1 3.05Å
681	I	75.5	Confident	82	Confident	38 Å²	38	50.1 Å²	50.1	20%	0.195	27%	0.266	C	S	.	.			trans	-126.8	149.1	162.9	48.8	148.3	0	0	0	110.3	S683 V736 L741	I681-S683 VanDerWaalsContact C-N 3.26Å; I681-S683 PolarHBondContact O-N 2.7Å; I681-V736 HydrophobicContact CD1-CG2 3.79Å; I681-V736 HydrophobicContact CG2-CG1 4.12Å; I681-L741 HydrophobicContact CG2-CD2 3.92Å
682	H	67.7	Low	82	Confident	179 Å²	179	51.1 Å²	51.1	83%	0.829	27%	0.269	S	S	*	.			trans	-76.3	81.3	169.6	-168.5	78.3	0	0	0	109.6
683	S	65.6	Low	81.8	Confident	15 Å²	15	51.6 Å²	51.6	11%	0.105	28%	0.276	C	S	.	.			trans	-65.3	151.9	-177.4	90.5	0	0	0	0	111.5	I681 G685 Q730	I681-S683 VanDerWaalsContact C-N 3.26Å; I681-S683 PolarHBondContact O-N 2.7Å; S683-G685 PolarHBondContact OG-N 2.81Å; S683-Q730 WeakPolarHBondContact OG-CB 3.21Å; S683-Q730 PolarHBondContact OG-OE1 2.85Å
684	R	69.1	Low	81.6	Confident	240 Å²	240	58.7 Å²	58.7	91%	0.906	31%	0.309	S	S	*	.			trans	-107	29.4	166.5	-63.3	-175.3	-179.5	177	0.9	110.9
685	G	76.7	Confident	81.6	Confident	24 Å²	24	62.4 Å²	62.4	25%	0.247	33%	0.327	C	S	.	.	S	Bend	trans	-76.5	-175.8	-173.4	0	0	0	0	0	114	S683 V731	S683-G685 PolarHBondContact OG-N 2.81Å; G685-V731 CarbonylContact C-O 3.57Å; G685-V731 WeakPolarHBondContact CA-O 3.43Å
686	Q	85.1	Confident	81.5	Confident	57 Å²	57	60.2 Å²	60.2	27%	0.266	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	127.9	168	-177.8	-175.6	7	0	0	109	L688 Q730 V731	Q686-L688 HydrophobicContact CG-CD2 4.09Å; Q686-Q730 WeakPolarHBondContact O-CA 3.26Å; Q686-V731 HydrophobicContact CB-CG2 3.93Å; Q686-V731 PolarHBondContact N-O 2.83Å; Q686-V731 WeakPolarHBondContact O-CG2 3.48Å; Q686-V731 PolarHBondContact O-N 2.98Å
687	T	87	Confident	81.5	Confident	80 Å²	80	60.6 Å²	60.6	49%	0.491	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	128.2	170.2	-53	0	0	0	0	109.8	P689 C729	T687-P689 WeakPolarHBondContact O-CD 3.32Å; T687-C729 CarbonylContact C-O 3.23Å; T687-C729 WeakPolarHBondContact CA-O 3.45Å
688	L	85.2	Confident	81.6	Confident	5 Å²	5	63.5 Å²	63.5	3%	0.026	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	101.8	176.6	-61	-179.6	0	0	0	109.5	Q686 A699 D705 L711 C729 V731	Q686-L688 HydrophobicContact CG-CD2 4.09Å; L688-A699 HydrophobicContact CD1-CB 3.92Å; L688-D705 HydrophobicContact CD2-CB 4.39Å; L688-L711 HydrophobicContact CD1-CD2 3.78Å; L688-L711 HydrophobicContact CD2-CD2 3.9Å; L688-L711 HydrophobicContact CG-CD2 4.4Å; L688-C729 HydrophobicContact CB-CB 4.06Å; L688-C729 PolarHBondContact N-O 2.82Å; L688-V731 HydrophobicContact CD1-CG1 3.86Å; L688-V731 HydrophobicContact CD1-CG2 3.95Å; L688-V731 HydrophobicContact CG-CG2 4.11Å
689	P	76.9	Confident	81.8	Confident	82 Å²	82	62.6 Å²	62.6	53%	0.532	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	155.4	179.5	28.2	-34.4	0	0	0	112.4	T687 H691	T687-P689 WeakPolarHBondContact O-CD 3.32Å; P689-H691 PolarHBondContact O-N 2.99Å; P689-H691 PolarHBondContact O-ND1 2.75Å
690	D	78.2	Confident	82	Confident	128 Å²	128	61.5 Å²	61.5	68%	0.684	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	7.7	-180	-15.1	-57.4	0	0	0	117.5	K706	D690-K706 IonicContact OD2-NZ 3.32Å; D690-K706 PolarHBondContact OD2-NZ 2.92Å
691	H	82	Confident	82.4	Confident	7 Å²	7	63.5 Å²	63.5	3%	0.032	32%	0.324	C	S	.	.			trans	-81.2	131.5	174.3	-67.8	59.2	0	0	0	110.1	P689 E695 K706 Y723 C729	P689-H691 PolarHBondContact O-N 2.99Å; P689-H691 PolarHBondContact O-ND1 2.75Å; H691-E695 WeakPolarHBondContact CA-OE2 3.41Å; H691-E695 HydrophobicContact CB-CB 4.12Å; H691-K706 VanDerWaalsContact CE1-CG 3.48Å; H691-K706 WeakPolarHBondContact CE1-CG 3.46Å; H691-K706 PolarHBondContact NE2-N 3.09Å; H691-Y723 WeakPolarHBondContact O-CE2 3.22Å; H691-C729 HydrophobicContact CB-CB 3.89Å
692	N	87.4	Confident	82.9	Confident	59 Å²	59	64 Å²	64	32%	0.316	33%	0.33	S	S	.	.			trans	-77.2	174.1	169.3	79.6	55.2	0	0	0	111.9	Q694 E695 C696	N692-Q694 VanDerWaalsContact C-N 3.32Å; N692-Q694 PolarHBondContact O-N 2.88Å; N692-Q694 WeakPolarHBondContact OD1-CA 3.29Å; N692-Q694 WeakPolarHBondContact OD1-CB 3.49Å; N692-Q694 PolarHBondContact OD1-N 3.03Å; N692-E695 PolarHBondContact N-OE2 2.78Å; N692-E695 WeakPolarHBondContact ND2-CG 3.37Å; N692-E695 PolarHBondContact ND2-OE1 2.92Å; N692-E695 PolarHBondContact ND2-OE2 2.74Å; N692-E695 VanDerWaalsContact ND2-OE2 3.13Å; N692-E695 PolarHBondContact O-N 3Å; N692-E695 PolarHBondContact OD1-N 3.25Å; N692-E695 VanDerWaalsContact OD1-N 3.15Å; N692-C696 VanDerWaalsContact O-CB 3.26Å; N692-C696 WeakPolarHBondContact O-CB 3.45Å; N692-C696 PolarHBondContact O-N 3.38Å
693	A	84.9	Confident	83.8	Confident	27 Å²	27	56.6 Å²	56.6	22%	0.223	30%	0.301	C	S	.	.	H	α-helix	trans	-56.5	-40.2	-177.2	0	0	0	0	0	114.1	C696 S697 Y723 F750	A693-C696 WeakPolarHBondContact O-CB 3.45Å; A693-S697 PolarHBondContact O-N 2.92Å; A693-S697 VanDerWaalsContact O-N 3.15Å; A693-Y723 HydrophobicContact CB-CD1 3.54Å; A693-Y723 HydrophobicContact CB-CE1 4.02Å; A693-Y723 HydrophobicContact CB-CG 3.89Å; A693-F750 HydrophobicContact CB-CE2 4.42Å; A693-F750 HydrophobicContact CB-CZ 4.18Å; A693-F750 WeakPolarHBondContact O-CE2 3.39Å; A693-F750 VanDerWaalsContact O-CZ 3.27Å; A693-F750 WeakPolarHBondContact O-CZ 3.27Å
694	Q	85.1	Confident	84.8	Confident	152 Å²	152	59.4 Å²	59.4	71%	0.71	31%	0.313	S	S	*	.	H	α-helix	trans	-73.3	-45.2	-179.2	-63.1	169.9	-20.1	0	0	110.5	N692 C696 S697 L698	N692-Q694 VanDerWaalsContact C-N 3.32Å; N692-Q694 PolarHBondContact O-N 2.88Å; N692-Q694 WeakPolarHBondContact OD1-CA 3.29Å; N692-Q694 WeakPolarHBondContact OD1-CB 3.49Å; N692-Q694 PolarHBondContact OD1-N 3.03Å; Q694-C696 VanDerWaalsContact C-N 3.28Å; Q694-C696 PolarHBondContact O-N 2.71Å; Q694-S697 PolarHBondContact O-N 3.41Å; Q694-S697 VanDerWaalsContact O-N 3.15Å; Q694-S697 PolarHBondContact O-OG 2.81Å; Q694-L698 WeakPolarHBondContact O-CB 3.05Å; Q694-L698 PolarHBondContact O-N 3.06Å
695	E	89.4	Confident	85.5	Confident	78 Å²	78	49.7 Å²	49.7	36%	0.364	28%	0.279	S	S	.	.	H	α-helix	trans	-59	-38.2	173.2	-71.4	161.1	-177.1	0	0	112.1	H691 N692 L698 A699	H691-E695 WeakPolarHBondContact CA-OE2 3.41Å; H691-E695 HydrophobicContact CB-CB 4.12Å; N692-E695 PolarHBondContact N-OE2 2.78Å; N692-E695 WeakPolarHBondContact ND2-CG 3.37Å; N692-E695 PolarHBondContact ND2-OE1 2.92Å; N692-E695 PolarHBondContact ND2-OE2 2.74Å; N692-E695 VanDerWaalsContact ND2-OE2 3.13Å; N692-E695 PolarHBondContact O-N 3Å; N692-E695 PolarHBondContact OD1-N 3.25Å; N692-E695 VanDerWaalsContact OD1-N 3.15Å; E695-L698 PolarHBondContact O-N 3.4Å; E695-A699 WeakPolarHBondContact O-CB 3.44Å; E695-A699 PolarHBondContact O-N 3Å
696	C	89.6	Confident	85.7	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-62.9	-42.6	174.7	-168	0	0	0	0	112.2	N692 A693 Q694 C700 C729	N692-C696 VanDerWaalsContact O-CB 3.26Å; N692-C696 WeakPolarHBondContact O-CB 3.45Å; N692-C696 PolarHBondContact O-N 3.38Å; A693-C696 WeakPolarHBondContact O-CB 3.45Å; Q694-C696 VanDerWaalsContact C-N 3.28Å; Q694-C696 PolarHBondContact O-N 2.71Å; C696-C700 PolarHBondContact O-N 3.08Å; C696-C729 WeakPolarHBondContact CA-SG 3.29Å; C696-C729 HydrophobicContact CB-CB 3.62Å; C696-C729 WeakPolarHBondContact CB-SG 3.38Å; C696-C729 VanDerWaalsContact SG-CA 3.59Å; C696-C729 WeakPolarHBondContact SG-CB 3.38Å; C696-C729 CovalentContact SG-SG 2.03Å; C696-C729 PolarHBondContact SG-SG 3Å
697	S	89.4	Confident	85.7	Confident	10 Å²	10	55.2 Å²	55.2	7%	0.07	31%	0.306	C	S	.	.	H	α-helix	trans	-68.7	-36.6	175.7	78.8	0	0	0	0	112.4	A693 Q694 L701	A693-S697 PolarHBondContact O-N 2.92Å; A693-S697 VanDerWaalsContact O-N 3.15Å; Q694-S697 PolarHBondContact O-N 3.41Å; Q694-S697 VanDerWaalsContact O-N 3.15Å; Q694-S697 PolarHBondContact O-OG 2.81Å; S697-L701 PolarHBondContact O-N 2.95Å
698	L	87.9	Confident	85.3	Confident	98 Å²	98	53.4 Å²	53.4	51%	0.513	30%	0.303	S	S	.	.	H	α-helix	trans	-69.5	-44.5	177.1	-177.4	61.6	0	0	0	111.8	Q694 E695 C700 L701 T702	Q694-L698 WeakPolarHBondContact O-CB 3.05Å; Q694-L698 PolarHBondContact O-N 3.06Å; E695-L698 PolarHBondContact O-N 3.4Å; L698-C700 VanDerWaalsContact C-N 3.26Å; L698-C700 PolarHBondContact O-N 2.67Å; L698-L701 WeakPolarHBondContact O-CA 3.44Å; L698-L701 WeakPolarHBondContact O-CB 3.49Å; L698-L701 PolarHBondContact O-N 3.24Å; L698-T702 HydrophobicContact CD1-CG2 3.95Å; L698-T702 HydrophobicContact CG-CG2 4.29Å; L698-T702 PolarHBondContact O-N 3.26Å; L698-T702 PolarHBondContact O-OG1 3.08Å; L698-T702 VanDerWaalsContact O-OG1 3.13Å
699	A	89.3	Confident	85.2	Confident	4 Å²	4	57.7 Å²	57.7	3%	0.033	33%	0.326	C	S	.	.	H	α-helix	trans	-59.4	-37.9	179	0	0	0	0	0	112.4	L688 E695 T702 G703 Q704 L711	L688-A699 HydrophobicContact CD1-CB 3.92Å; E695-A699 WeakPolarHBondContact O-CB 3.44Å; E695-A699 PolarHBondContact O-N 3Å; A699-T702 PolarHBondContact O-OG1 3.25Å; A699-G703 WeakPolarHBondContact O-CA 3.27Å; A699-G703 PolarHBondContact O-N 3.15Å; A699-Q704 WeakPolarHBondContact CA-O 3.45Å; A699-Q704 WeakPolarHBondContact CB-O 2.96Å; A699-Q704 PolarHBondContact O-N 2.64Å; A699-L711 WeakPolarHBondContact O-CD1 3.16Å
700	C	90	Very high	85.5	Confident	3 Å²	3	56.5 Å²	56.5	2%	0.02	33%	0.329	C	S	.	.	H	α-helix	trans	-70.8	-30.5	174	-169.6	0	0	0	0	113.1	C696 L698 C718 A721 V731	C696-C700 PolarHBondContact O-N 3.08Å; L698-C700 VanDerWaalsContact C-N 3.26Å; L698-C700 PolarHBondContact O-N 2.67Å; C700-C718 VanDerWaalsContact CA-SG 3.52Å; C700-C718 HydrophobicContact CB-CB 3.91Å; C700-C718 WeakPolarHBondContact CB-SG 3.02Å; C700-C718 WeakPolarHBondContact O-CB 3.21Å; C700-C718 WeakPolarHBondContact SG-CB 2.99Å; C700-C718 CovalentContact SG-SG 2.04Å; C700-C718 PolarHBondContact SG-SG 2.95Å; C700-A721 HydrophobicContact CB-CB 3.9Å; C700-V731 HydrophobicContact CB-CG1 4.33Å
701	L	87.9	Confident	85.8	Confident	47 Å²	47	51.6 Å²	51.6	25%	0.246	30%	0.302	C	S	.	.	H	α-helix	trans	-70.8	-45.7	172.9	-81.9	174.1	0	0	0	112.8	P671 V673 S697 L698 V752	P671-L701 HydrophobicContact CB-CD2 3.91Å; P671-L701 HydrophobicContact CG-CD2 4.44Å; V673-L701 HydrophobicContact CG2-CD1 3.55Å; V673-L701 HydrophobicContact CG2-CD2 3.9Å; V673-L701 HydrophobicContact CG2-CG 3.56Å; S697-L701 PolarHBondContact O-N 2.95Å; L698-L701 WeakPolarHBondContact O-CA 3.44Å; L698-L701 WeakPolarHBondContact O-CB 3.49Å; L698-L701 PolarHBondContact O-N 3.24Å; L701-V752 HydrophobicContact CD2-CG1 4.34Å; L701-V752 HydrophobicContact CD2-CG2 4.42Å
702	T	86	Confident	86	Confident	50 Å²	50	57 Å²	57	31%	0.307	33%	0.331	S	S	.	.	H	α-helix	trans	-81.6	-22.2	-175.4	56.9	0	0	0	0	113.2	L698 A699 Q704	L698-T702 HydrophobicContact CD1-CG2 3.95Å; L698-T702 HydrophobicContact CG-CG2 4.29Å; L698-T702 PolarHBondContact O-N 3.26Å; L698-T702 PolarHBondContact O-OG1 3.08Å; L698-T702 VanDerWaalsContact O-OG1 3.13Å; A699-T702 PolarHBondContact O-OG1 3.25Å; T702-Q704 VanDerWaalsContact C-N 3.27Å; T702-Q704 PolarHBondContact OG1-N 3.21Å; T702-Q704 PolarHBondContact OG1-O 3.2Å
703	G	86.7	Confident	85.8	Confident	23 Å²	23	54.6 Å²	54.6	24%	0.237	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	18.6	-168.7	0	0	0	0	0	113.3	A699 G710 L711	A699-G703 WeakPolarHBondContact O-CA 3.27Å; A699-G703 PolarHBondContact O-N 3.15Å; G703-G710 WeakPolarHBondContact O-CA 3.45Å; G703-L711 PolarHBondContact O-N 3.06Å
704	Q	86.2	Confident	85.7	Confident	74 Å²	74	64.5 Å²	64.5	35%	0.346	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-133.4	145.5	-174.4	-65.4	175.6	-16	0	0	112.3	A699 T702 N709	A699-Q704 WeakPolarHBondContact CA-O 3.45Å; A699-Q704 WeakPolarHBondContact CB-O 2.96Å; A699-Q704 PolarHBondContact O-N 2.64Å; T702-Q704 VanDerWaalsContact C-N 3.27Å; T702-Q704 PolarHBondContact OG1-N 3.21Å; T702-Q704 PolarHBondContact OG1-O 3.2Å; Q704-N709 CarbonylContact C-O 3.02Å; Q704-N709 VanDerWaalsContact CA-O 3.22Å; Q704-N709 WeakPolarHBondContact CA-O 3.41Å
705	D	84.9	Confident	85.1	Confident	35 Å²	35	60.9 Å²	60.9	19%	0.187	35%	0.353	C	S	.	.			trans	-74.7	174.2	171.1	82.4	-3.8	0	0	0	112.7	L688 S707 G708 N709	L688-D705 HydrophobicContact CD2-CB 4.39Å; D705-S707 PolarHBondContact O-N 2.69Å; D705-S707 VanDerWaalsContact OD1-CA 3.22Å; D705-S707 WeakPolarHBondContact OD1-CA 3.42Å; D705-S707 VanDerWaalsContact OD1-CB 3.24Å; D705-S707 WeakPolarHBondContact OD1-CB 3.22Å; D705-S707 PolarHBondContact OD1-N 3.23Å; D705-S707 PolarHBondContact OD1-OG 2.81Å; D705-S707 PolarHBondContact OD2-OG 3.03Å; D705-G708 PolarHBondContact O-N 2.9Å; D705-G708 PolarHBondContact OD1-N 3.07Å; D705-N709 PolarHBondContact N-O 3.45Å; D705-N709 WeakPolarHBondContact OD1-CB 3.11Å; D705-N709 PolarHBondContact OD1-N 2.88Å; D705-N709 PolarHBondContact OD1-ND2 3.26Å; D705-N709 PolarHBondContact OD2-ND2 3.48Å
706	K	81.8	Confident	84.9	Confident	115 Å²	115	63.5 Å²	63.5	50%	0.5	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-11.4	174.7	68.2	178	172.8	164	0	115.9	D690 H691	D690-K706 IonicContact OD2-NZ 3.32Å; D690-K706 PolarHBondContact OD2-NZ 2.92Å; H691-K706 VanDerWaalsContact CE1-CG 3.48Å; H691-K706 WeakPolarHBondContact CE1-CG 3.46Å; H691-K706 PolarHBondContact NE2-N 3.09Å
707	S	83.1	Confident	84.7	Confident	83 Å²	83	65.5 Å²	65.5	58%	0.58	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-4.3	-179.8	-15.3	0	0	0	0	112.5	D705 N709	D705-S707 PolarHBondContact O-N 2.69Å; D705-S707 VanDerWaalsContact OD1-CA 3.22Å; D705-S707 WeakPolarHBondContact OD1-CA 3.42Å; D705-S707 VanDerWaalsContact OD1-CB 3.24Å; D705-S707 WeakPolarHBondContact OD1-CB 3.22Å; D705-S707 PolarHBondContact OD1-N 3.23Å; D705-S707 PolarHBondContact OD1-OG 2.81Å; D705-S707 PolarHBondContact OD2-OG 3.03Å; S707-N709 WeakPolarHBondContact CB-ND2 3.35Å
708	G	79.5	Confident	84.7	Confident	42 Å²	42	65.2 Å²	65.2	43%	0.433	37%	0.374	S	S	.	.	S	Bend	trans	87.7	4.8	-174.5	0	0	0	0	0	115	D705	D705-G708 PolarHBondContact O-N 2.9Å; D705-G708 PolarHBondContact OD1-N 3.07Å
709	N	83.1	Confident	84.8	Confident	94 Å²	94	62.1 Å²	62.1	50%	0.503	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-75.2	136.9	177.3	-53.5	-62.2	0	0	0	110.4	Q704 D705 S707	Q704-N709 CarbonylContact C-O 3.02Å; Q704-N709 VanDerWaalsContact CA-O 3.22Å; Q704-N709 WeakPolarHBondContact CA-O 3.41Å; D705-N709 PolarHBondContact N-O 3.45Å; D705-N709 WeakPolarHBondContact OD1-CB 3.11Å; D705-N709 PolarHBondContact OD1-N 2.88Å; D705-N709 PolarHBondContact OD1-ND2 3.26Å; D705-N709 PolarHBondContact OD2-ND2 3.48Å; S707-N709 WeakPolarHBondContact CB-ND2 3.35Å
710	G	82.8	Confident	84.8	Confident	58 Å²	58	62 Å²	62	60%	0.598	36%	0.355	S	S	*	.	B	Isolated β-bridge	trans	-62.7	145.4	173.8	0	0	0	0	0	113.3	G703	G703-G710 WeakPolarHBondContact O-CA 3.45Å
711	L	85.5	Confident	84.9	Confident	25 Å²	25	61.9 Å²	61.9	13%	0.131	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-72.5	136.6	178.4	-59	178.3	0	0	0	112.5	L688 A699 G703 L713 C718 V731	L688-L711 HydrophobicContact CD1-CD2 3.78Å; L688-L711 HydrophobicContact CD2-CD2 3.9Å; L688-L711 HydrophobicContact CG-CD2 4.4Å; A699-L711 WeakPolarHBondContact O-CD1 3.16Å; G703-L711 PolarHBondContact O-N 3.06Å; L711-L713 HydrophobicContact CB-CD1 4.24Å; L711-L713 HydrophobicContact CB-CG 4.03Å; L711-L713 HydrophobicContact CD1-CD1 4.18Å; L711-L713 PolarHBondContact O-N 3.31Å; L711-C718 HydrophobicContact CD1-CB 4.24Å; L711-V731 HydrophobicContact CD1-CB 4.32Å; L711-V731 HydrophobicContact CD1-CG2 3.92Å; L711-V731 HydrophobicContact CD2-CG2 4.14Å; L711-V731 HydrophobicContact CG-CG2 4.5Å
712	D	84.8	Confident	85	Confident	119 Å²	119	60.1 Å²	60.1	64%	0.636	35%	0.345	S	S	*	.			trans	-81.3	69.7	174.5	-175	15.7	0	0	0	111.4
713	L	84.3	Confident	85.2	Confident	10 Å²	10	60.5 Å²	60.5	5%	0.052	34%	0.342	C	S	.	.	S	Bend	trans	-102.6	29.3	173.6	-61	-177.9	0	0	0	111.6	L711 G715 K716 C718 V731	L711-L713 HydrophobicContact CB-CD1 4.24Å; L711-L713 HydrophobicContact CB-CG 4.03Å; L711-L713 HydrophobicContact CD1-CD1 4.18Å; L711-L713 PolarHBondContact O-N 3.31Å; L713-G715 PolarHBondContact O-N 2.93Å; L713-K716 WeakPolarHBondContact CB-O 3.47Å; L713-K716 WeakPolarHBondContact O-CB 3.44Å; L713-K716 PolarHBondContact O-N 3.1Å; L713-C718 HydrophobicContact CD1-CB 3.54Å; L713-V731 HydrophobicContact CD2-CG2 4.49Å; L713-V731 WeakPolarHBondContact CD2-O 3.45Å
714	R	81.5	Confident	85.2	Confident	235 Å²	235	59.7 Å²	59.7	89%	0.887	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	37.7	179.9	-52.1	-177.6	-177.1	-164.7	-0.3	113.7	K716	R714-K716 VanDerWaalsContact C-N 3.31Å; R714-K716 PolarHBondContact O-N 3.09Å
715	G	74.1	Confident	85.1	Confident	75 Å²	75	61.1 Å²	61.1	77%	0.773	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	11.1	-178.9	0	0	0	0	0	115.3	L713	L713-G715 PolarHBondContact O-N 2.93Å
716	K	83.8	Confident	85	Confident	134 Å²	134	65.1 Å²	65.1	58%	0.583	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-93.8	148	168.6	-65.8	-174.9	174	-171.3	0	110.9	L713 R714	L713-K716 WeakPolarHBondContact CB-O 3.47Å; L713-K716 WeakPolarHBondContact O-CB 3.44Å; L713-K716 PolarHBondContact O-N 3.1Å; R714-K716 VanDerWaalsContact C-N 3.31Å; R714-K716 PolarHBondContact O-N 3.09Å
717	P	86.6	Confident	84.9	Confident	42 Å²	42	64.6 Å²	64.6	27%	0.273	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-64.4	153.2	169	29.5	-35.2	0	0	0	110.7	T664	T664-P717 HydrophobicContact CG2-CB 4.28Å
718	C	89.3	Confident	85	Confident	3 Å²	3	61.7 Å²	61.7	2%	0.02	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-67.2	145.5	169.8	-172.1	0	0	0	0	110.4	C700 L711 L713 T720	C700-C718 VanDerWaalsContact CA-SG 3.52Å; C700-C718 HydrophobicContact CB-CB 3.91Å; C700-C718 WeakPolarHBondContact CB-SG 3.02Å; C700-C718 WeakPolarHBondContact O-CB 3.21Å; C700-C718 WeakPolarHBondContact SG-CB 2.99Å; C700-C718 CovalentContact SG-SG 2.04Å; C700-C718 PolarHBondContact SG-SG 2.95Å; L711-C718 HydrophobicContact CD1-CB 4.24Å; L713-C718 HydrophobicContact CD1-CB 3.54Å; C718-T720 PolarHBondContact SG-O 3.11Å; C718-T720 VanDerWaalsContact SG-O 3.39Å
719	R	89.7	Confident	85.5	Confident	33 Å²	33	59.7 Å²	59.7	13%	0.125	33%	0.333	C	S	.	.			trans	-128.5	-35.7	-178.7	-79.2	-68.4	-171.5	-105.1	7.6	112.5	T664 D732 S734 E735 V752	T664-R719 VanDerWaalsContact O-CZ 3.31Å; T664-R719 PolarHBondContact O-NH1 2.83Å; T664-R719 PolarHBondContact O-NH2 3.14Å; R719-D732 PolarHBondContact N-O 2.95Å; R719-S734 VanDerWaalsContact CB-O 3.29Å; R719-S734 WeakPolarHBondContact CB-O 3.37Å; R719-E735 HydrophobicContact CB-CG 4.11Å; R719-E735 HydrophobicContact CG-CG 3.7Å; R719-E735 IonicContact CZ-OE1 3.64Å; R719-E735 IonicContact NE-OE1 2.74Å; R719-E735 PolarHBondContact NE-OE1 2.8Å; R719-E735 IonicContact NH2-OE1 3.69Å; R719-V752 PolarHBondContact O-N 3.46Å
720	T	90.2	Very high	85.9	Confident	2 Å²	2	57 Å²	57	1%	0.012	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	143.7	173.7	48.2	0	0	0	0	111.2	C718 D732 S734 V736 F750 K751	C718-T720 PolarHBondContact SG-O 3.11Å; C718-T720 VanDerWaalsContact SG-O 3.39Å; T720-D732 PolarHBondContact N-O 3.34Å; T720-D732 PolarHBondContact O-N 3.04Å; T720-S734 PolarHBondContact OG1-O 3.44Å; T720-S734 VanDerWaalsContact OG1-O 3.1Å; T720-V736 HydrophobicContact CG2-CB 4.05Å; T720-V736 HydrophobicContact CG2-CG2 3.76Å; T720-F750 CarbonylContact C-O 3.49Å; T720-F750 VanDerWaalsContact CA-O 3.25Å; T720-F750 WeakPolarHBondContact CA-O 3.45Å; T720-K751 HydrophobicContact CG2-CB 4.35Å; T720-K751 HydrophobicContact CG2-CG 4.45Å
721	A	90.5	Very high	86.2	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.008	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	155.1	165.5	0	0	0	0	0	108.9	C700 Q730 V731 T749 F750	C700-A721 HydrophobicContact CB-CB 3.9Å; A721-Q730 CarbonylContact C-O 3.57Å; A721-Q730 WeakPolarHBondContact CA-O 3.39Å; A721-V731 HydrophobicContact CB-CG1 3.9Å; A721-T749 CarbonylContact O-C 3.42Å; A721-T749 WeakPolarHBondContact O-CA 3.38Å; A721-T749 WeakPolarHBondContact O-CG2 3.48Å; A721-F750 HydrophobicContact CB-CB 4.31Å; A721-F750 HydrophobicContact CB-CD2 4.38Å; A721-F750 PolarHBondContact N-O 2.84Å; A721-F750 PolarHBondContact O-N 3.5Å
722	S	90.5	Very high	86.4	Confident	9 Å²	9	54.5 Å²	54.5	6%	0.063	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	127.2	172.3	-65.3	0	0	0	0	109.4	Q730 T748 T749	S722-Q730 PolarHBondContact N-O 3.35Å; S722-Q730 PolarHBondContact O-N 3.29Å; S722-T748 WeakPolarHBondContact CA-O 3.12Å; S722-T749 PolarHBondContact OG-OG1 3Å
723	Y	90.3	Very high	86.6	Confident	58 Å²	58	50.3 Å²	50.3	23%	0.227	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	135	177	176.4	-99.2	0	0	0	110.4	H691 A693 G728 C729 V747 T748	H691-Y723 WeakPolarHBondContact O-CE2 3.22Å; A693-Y723 HydrophobicContact CB-CD1 3.54Å; A693-Y723 HydrophobicContact CB-CE1 4.02Å; A693-Y723 HydrophobicContact CB-CG 3.89Å; Y723-G728 WeakPolarHBondContact CA-O 3.5Å; Y723-C729 HydrophobicContact CD2-CB 4.44Å; Y723-V747 WeakPolarHBondContact O-CA 3.3Å; Y723-T748 PolarHBondContact N-O 3.48Å; Y723-T748 PolarHBondContact O-N 3.39Å
724	S	88	Confident	86.6	Confident	7 Å²	7	51.8 Å²	51.8	5%	0.049	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	147.8	167.8	-179.1	0	0	0	0	110	N726 N727 G728 D746	S724-N726 PolarHBondContact O-N 2.88Å; S724-N726 PolarHBondContact OG-N 2.85Å; S724-N727 PolarHBondContact O-N 2.03Å; S724-G728 PolarHBondContact N-O 2.82Å; S724-G728 WeakPolarHBondContact O-CA 3.41Å; S724-G728 PolarHBondContact O-N 2.75Å; S724-D746 WeakPolarHBondContact CA-O 2.98Å; S724-D746 VanDerWaalsContact CB-O 3.23Å; S724-D746 WeakPolarHBondContact CB-O 3.32Å; S724-D746 PolarHBondContact OG-O 3.34Å
725	T	83.5	Confident	86.4	Confident	104 Å²	104	47.7 Å²	47.7	64%	0.638	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-29.1	173.8	48.4	0	0	0	0	112.9
726	N	81.6	Confident	86.7	Confident	118 Å²	118	45 Å²	45	63%	0.631	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-36.1	-176.8	-62.5	-43.2	0	0	0	113.2	S724	S724-N726 PolarHBondContact O-N 2.88Å; S724-N726 PolarHBondContact OG-N 2.85Å
727	N	79.7	Confident	86.4	Confident	104 Å²	104	40.7 Å²	40.7	56%	0.556	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.4	-3.9	-171.8	-66.3	-40.4	0	0	0	114	S724	S724-N727 PolarHBondContact O-N 2.03Å
728	G	85.9	Confident	86.1	Confident	22 Å²	22	38.7 Å²	38.7	23%	0.227	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	71.6	-151	-173.1	0	0	0	0	0	112.5	Y723 S724	Y723-G728 WeakPolarHBondContact CA-O 3.5Å; S724-G728 PolarHBondContact N-O 2.82Å; S724-G728 WeakPolarHBondContact O-CA 3.41Å; S724-G728 PolarHBondContact O-N 2.75Å
729	C	90.6	Very high	85.4	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	138.8	173	176.9	0	0	0	0	110.9	T687 L688 H691 C696 Y723	T687-C729 CarbonylContact C-O 3.23Å; T687-C729 WeakPolarHBondContact CA-O 3.45Å; L688-C729 HydrophobicContact CB-CB 4.06Å; L688-C729 PolarHBondContact N-O 2.82Å; H691-C729 HydrophobicContact CB-CB 3.89Å; C696-C729 WeakPolarHBondContact CA-SG 3.29Å; C696-C729 HydrophobicContact CB-CB 3.62Å; C696-C729 WeakPolarHBondContact CB-SG 3.38Å; C696-C729 VanDerWaalsContact SG-CA 3.59Å; C696-C729 WeakPolarHBondContact SG-CB 3.38Å; C696-C729 CovalentContact SG-SG 2.03Å; C696-C729 PolarHBondContact SG-SG 3Å; Y723-C729 HydrophobicContact CD2-CB 4.44Å
730	Q	90.1	Very high	84.8	Confident	38 Å²	38	42.3 Å²	42.3	18%	0.178	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	135.5	170	-59.2	-177.6	-15.4	0	0	109.4	S683 Q686 A721 S722	S683-Q730 WeakPolarHBondContact OG-CB 3.21Å; S683-Q730 PolarHBondContact OG-OE1 2.85Å; Q686-Q730 WeakPolarHBondContact O-CA 3.26Å; A721-Q730 CarbonylContact C-O 3.57Å; A721-Q730 WeakPolarHBondContact CA-O 3.39Å; S722-Q730 PolarHBondContact N-O 3.35Å; S722-Q730 PolarHBondContact O-N 3.29Å
731	V	89.8	Confident	84.4	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	135.9	-179	-66.6	0	0	0	0	111.5	G685 Q686 L688 C700 L711 L713 A721	G685-V731 CarbonylContact C-O 3.57Å; G685-V731 WeakPolarHBondContact CA-O 3.43Å; Q686-V731 HydrophobicContact CB-CG2 3.93Å; Q686-V731 PolarHBondContact N-O 2.83Å; Q686-V731 WeakPolarHBondContact O-CG2 3.48Å; Q686-V731 PolarHBondContact O-N 2.98Å; L688-V731 HydrophobicContact CD1-CG1 3.86Å; L688-V731 HydrophobicContact CD1-CG2 3.95Å; L688-V731 HydrophobicContact CG-CG2 4.11Å; C700-V731 HydrophobicContact CB-CG1 4.33Å; L711-V731 HydrophobicContact CD1-CB 4.32Å; L711-V731 HydrophobicContact CD1-CG2 3.92Å; L711-V731 HydrophobicContact CD2-CG2 4.14Å; L711-V731 HydrophobicContact CG-CG2 4.5Å; L713-V731 HydrophobicContact CD2-CG2 4.49Å; L713-V731 WeakPolarHBondContact CD2-O 3.45Å; A721-V731 HydrophobicContact CB-CG1 3.9Å
732	D	89.5	Confident	84	Confident	31 Å²	31	48 Å²	48	17%	0.166	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	153.6	-176.9	-167.7	7	0	0	0	112.2	R719 T720 S734	R719-D732 PolarHBondContact N-O 2.95Å; T720-D732 PolarHBondContact N-O 3.34Å; T720-D732 PolarHBondContact O-N 3.04Å; D732-S734 VanDerWaalsContact C-N 3.31Å; D732-S734 VanDerWaalsContact CG-OG 3.26Å; D732-S734 PolarHBondContact OD1-N 2.8Å; D732-S734 WeakPolarHBondContact OD2-CB 3.42Å; D732-S734 PolarHBondContact OD2-OG 2.91Å
733	S	88.4	Confident	83.5	Confident	31 Å²	31	52 Å²	52	22%	0.217	31%	0.305	C	S	.	.	S	Bend	trans	-85.5	1.7	174.5	66.2	0	0	0	0	113.8
734	S	84.5	Confident	83.3	Confident	40 Å²	40	52.4 Å²	52.4	28%	0.28	31%	0.311	S	S	.	.			trans	-79.2	132.2	-179.9	62.6	0	0	0	0	112	R719 T720 D732	R719-S734 VanDerWaalsContact CB-O 3.29Å; R719-S734 WeakPolarHBondContact CB-O 3.37Å; T720-S734 PolarHBondContact OG1-O 3.44Å; T720-S734 VanDerWaalsContact OG1-O 3.1Å; D732-S734 VanDerWaalsContact C-N 3.31Å; D732-S734 VanDerWaalsContact CG-OG 3.26Å; D732-S734 PolarHBondContact OD1-N 2.8Å; D732-S734 WeakPolarHBondContact OD2-CB 3.42Å; D732-S734 PolarHBondContact OD2-OG 2.91Å
735	E	78.1	Confident	83	Confident	149 Å²	149	57.5 Å²	57.5	70%	0.696	34%	0.344	S	S	*	.			trans	-84.7	121.4	171.1	-72.7	-178.7	-172.2	0	0	109.4	R719	R719-E735 HydrophobicContact CB-CG 4.11Å; R719-E735 HydrophobicContact CG-CG 3.7Å; R719-E735 IonicContact CZ-OE1 3.64Å; R719-E735 IonicContact NE-OE1 2.74Å; R719-E735 PolarHBondContact NE-OE1 2.8Å; R719-E735 IonicContact NH2-OE1 3.69Å
736	V	79.4	Confident	83.1	Confident	20 Å²	20	57.1 Å²	57.1	12%	0.121	34%	0.338	C	S	.	.			trans	-115	130	-174.4	-173	0	0	0	0	109.8	I681 T720 A740 L741 K751	I681-V736 HydrophobicContact CD1-CG2 3.79Å; I681-V736 HydrophobicContact CG2-CG1 4.12Å; T720-V736 HydrophobicContact CG2-CB 4.05Å; T720-V736 HydrophobicContact CG2-CG2 3.76Å; V736-A740 HydrophobicContact CG1-CB 4.47Å; V736-L741 HydrophobicContact CB-CD2 4.49Å; V736-L741 HydrophobicContact CG1-CD2 3.55Å; V736-L741 HydrophobicContact CG1-CG 4.35Å; V736-K751 WeakPolarHBondContact O-CD 3.44Å; V736-K751 VanDerWaalsContact O-CE 3.28Å; V736-K751 WeakPolarHBondContact O-CE 3.34Å; V736-K751 PolarHBondContact O-NZ 2.92Å
737	A	78.6	Confident	83.4	Confident	42 Å²	42	52.2 Å²	52.2	35%	0.347	31%	0.312	S	S	.	.			trans	-76.5	141.6	171.4	0	0	0	0	0	110	N739 A740	A737-N739 VanDerWaalsContact CB-OD1 3.23Å; A737-N739 WeakPolarHBondContact CB-OD1 3.38Å; A737-N739 PolarHBondContact O-N 2.82Å; A737-A740 HydrophobicContact CB-CB 4.41Å; A737-A740 WeakPolarHBondContact O-CB 3.49Å; A737-A740 PolarHBondContact O-N 3.26Å
738	F	80.2	Confident	83.8	Confident	1 Å²	1	49 Å²	49	0%	0.004	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-62.2	-28.4	-175	-66.8	-87.7	0	0	0	113	A674 I676 A740 L741 K751 L753 F769 P771 E788 Y813 V842	A674-F738 HydrophobicContact CB-CE1 4.29Å; A674-F738 HydrophobicContact CB-CZ 4.09Å; I676-F738 HydrophobicContact CD1-CD1 4.12Å; I676-F738 HydrophobicContact CD1-CE1 3.77Å; I676-F738 HydrophobicContact CG1-CD1 3.87Å; I676-F738 HydrophobicContact CG1-CE1 3.68Å; F738-A740 VanDerWaalsContact C-N 3.28Å; F738-A740 PolarHBondContact O-N 2.79Å; F738-L741 HydrophobicContact CD1-CD1 4.47Å; F738-K751 HydrophobicContact CE1-CD 4.22Å; F738-K751 HydrophobicContact CE2-CD 3.93Å; F738-K751 HydrophobicContact CZ-CD 3.75Å; F738-L753 HydrophobicContact CZ-CD2 4.43Å; F738-F769 HydrophobicContact CD1-CB 4.11Å; F738-F769 HydrophobicContact CD1-CD1 4.01Å; F738-F769 HydrophobicContact CD1-CG 4.21Å; F738-F769 HydrophobicContact CD2-CD1 4.48Å; F738-F769 HydrophobicContact CE1-CB 3.72Å; F738-F769 AromaticContact CE1-CD1 3.47Å; F738-F769 HydrophobicContact CE1-CD1 3.47Å; F738-F769 VanDerWaalsContact CE1-CD1 3.47Å; F738-F769 HydrophobicContact CE1-CD2 4.09Å; F738-F769 HydrophobicContact CE1-CE1 4.09Å; F738-F769 AromaticContact CE1-CG 3.49Å; F738-F769 HydrophobicContact CE1-CG 3.49Å; F738-F769 VanDerWaalsContact CE1-CG 3.49Å; F738-F769 HydrophobicContact CE2-CD1 4.01Å; F738-F769 AromaticContact CE2-CE1 3.91Å; F738-F769 HydrophobicContact CE2-CE1 3.91Å; F738-F769 HydrophobicContact CG-CD1 4.48Å; F738-F769 AromaticContact CZ-CD1 3.46Å; F738-F769 HydrophobicContact CZ-CD1 3.46Å; F738-F769 VanDerWaalsContact CZ-CD1 3.46Å; F738-F769 HydrophobicContact CZ-CD2 4.16Å; F738-F769 AromaticContact CZ-CE1 3.57Å; F738-F769 HydrophobicContact CZ-CE1 3.57Å; F738-F769 HydrophobicContact CZ-CE2 4.24Å; F738-F769 AromaticContact CZ-CG 3.8Å; F738-F769 HydrophobicContact CZ-CG 3.8Å; F738-F769 AromaticContact CZ-CZ 3.97Å; F738-F769 HydrophobicContact CZ-CZ 3.97Å; F738-P771 WeakPolarHBondContact O-CG 3.25Å; F738-E788 HydrophobicContact CD2-CG 4.33Å; F738-E788 VanDerWaalsContact CD2-OE1 3.24Å; F738-E788 WeakPolarHBondContact CD2-OE1 3.36Å; F738-E788 HydrophobicContact CE2-CG 4Å; F738-E788 WeakPolarHBondContact CE2-OE1 3.35Å; F738-Y813 WeakPolarHBondContact CD2-OH 3.34Å; F738-V842 HydrophobicContact CB-CB 4.39Å; F738-V842 HydrophobicContact CB-CG2 4.08Å; F738-V842 HydrophobicContact CD1-CG2 4.39Å; F738-V842 HydrophobicContact CG-CG2 4.24Å
739	N	74	Confident	84	Confident	55 Å²	55	48 Å²	48	29%	0.294	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-80.8	2.5	174.5	68.2	-18.1	0	0	0	114.6	A737 Y813	A737-N739 VanDerWaalsContact CB-OD1 3.23Å; A737-N739 WeakPolarHBondContact CB-OD1 3.38Å; A737-N739 PolarHBondContact O-N 2.82Å; N739-Y813 HydrophobicContact CB-CD2 4.03Å; N739-Y813 HydrophobicContact CB-CE2 4.22Å
740	A	77.1	Confident	84	Confident	56 Å²	56	48.4 Å²	48.4	46%	0.463	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-108.1	2.3	174.4	0	0	0	0	0	113	V736 A737 F738	V736-A740 HydrophobicContact CG1-CB 4.47Å; A737-A740 HydrophobicContact CB-CB 4.41Å; A737-A740 WeakPolarHBondContact O-CB 3.49Å; A737-A740 PolarHBondContact O-N 3.26Å; F738-A740 VanDerWaalsContact C-N 3.28Å; F738-A740 PolarHBondContact O-N 2.79Å
741	L	81.6	Confident	83.9	Confident	12 Å²	12	47.8 Å²	47.8	6%	0.063	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-79.4	141.6	171.5	-54	174	0	0	0	109.8	I676 Y679 I681 V736 F738 T749 P771	I676-L741 HydrophobicContact CB-CD1 4.28Å; I676-L741 HydrophobicContact CD1-CD1 4.16Å; I676-L741 HydrophobicContact CG1-CD1 4.23Å; I676-L741 HydrophobicContact CG2-CD1 3.88Å; Y679-L741 HydrophobicContact CD1-CB 4.42Å; I681-L741 HydrophobicContact CG2-CD2 3.92Å; V736-L741 HydrophobicContact CB-CD2 4.49Å; V736-L741 HydrophobicContact CG1-CD2 3.55Å; V736-L741 HydrophobicContact CG1-CG 4.35Å; F738-L741 HydrophobicContact CD1-CD1 4.47Å; L741-T749 HydrophobicContact CD2-CG2 4.29Å; L741-P771 HydrophobicContact CD1-CG 4.24Å
742	N	82.2	Confident	83.9	Confident	112 Å²	112	48.2 Å²	48.2	60%	0.599	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	147.4	173.5	-60.1	-88.9	0	0	0	109.2	Y679 G680 D744	Y679-N742 CarbonylContact C-O 3.42Å; Y679-N742 VanDerWaalsContact CA-O 3.22Å; Y679-N742 WeakPolarHBondContact CA-O 3.34Å; G680-N742 PolarHBondContact N-O 3.32Å; G680-N742 PolarHBondContact O-N 3.33Å; N742-D744 PolarHBondContact O-N 3.32Å
743	S	81.5	Confident	83.9	Confident	93 Å²	93	47.1 Å²	47.1	65%	0.65	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.5	119.3	173.4	55.4	0	0	0	0	110.5
744	D	84.3	Confident	83.9	Confident	66 Å²	66	47 Å²	47	35%	0.353	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	102.6	176.4	-171.7	-24.2	0	0	0	108.4	G678 N742 D746 V747	G678-D744 CarbonylContact C-O 3.44Å; G678-D744 VanDerWaalsContact CA-O 3.25Å; G678-D744 WeakPolarHBondContact CA-O 3.22Å; G678-D744 CarbonylContact O-C 3.44Å; G678-D744 PolarHBondContact O-N 2.77Å; N742-D744 PolarHBondContact O-N 3.32Å; D744-D746 PolarHBondContact O-N 2.02Å; D744-D746 PolarHBondContact OD1-N 2.91Å; D744-V747 HydrophobicContact CB-CB 4.11Å; D744-V747 HydrophobicContact CB-CG2 3.97Å; D744-V747 PolarHBondContact O-N 3.46Å; D744-V747 WeakPolarHBondContact OD2-CG2 3.19Å
745	P	82.6	Confident	84.1	Confident	113 Å²	113	45 Å²	45	73%	0.734	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.2	-19.5	-171.2	28.7	-35.7	0	0	0	113.6	V747	P745-V747 VanDerWaalsContact C-N 3.34Å
746	D	84.6	Confident	84.4	Confident	97 Å²	97	39.8 Å²	39.8	52%	0.519	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	7.7	-180	-70.1	-22.3	0	0	0	112.5	S724 D744	S724-D746 WeakPolarHBondContact CA-O 2.98Å; S724-D746 VanDerWaalsContact CB-O 3.23Å; S724-D746 WeakPolarHBondContact CB-O 3.32Å; S724-D746 PolarHBondContact OG-O 3.34Å; D744-D746 PolarHBondContact O-N 2.02Å; D744-D746 PolarHBondContact OD1-N 2.91Å
747	V	87.6	Confident	84.6	Confident	14 Å²	14	45 Å²	45	9%	0.085	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	140.4	179	179.6	0	0	0	0	111.5	G678 Y723 D744 P745	G678-V747 PolarHBondContact N-O 2.65Å; Y723-V747 WeakPolarHBondContact O-CA 3.3Å; D744-V747 HydrophobicContact CB-CB 4.11Å; D744-V747 HydrophobicContact CB-CG2 3.97Å; D744-V747 PolarHBondContact O-N 3.46Å; D744-V747 WeakPolarHBondContact OD2-CG2 3.19Å; P745-V747 VanDerWaalsContact C-N 3.34Å
748	T	88.4	Confident	84.6	Confident	36 Å²	36	49.9 Å²	49.9	22%	0.221	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	113.4	161.5	-58.6	0	0	0	0	109	E675 I676 S722 Y723 F750	E675-T748 HydrophobicContact CG-CG2 4.35Å; I676-T748 CarbonylContact O-C 3.56Å; I676-T748 WeakPolarHBondContact O-CA 3.22Å; S722-T748 WeakPolarHBondContact CA-O 3.12Å; Y723-T748 PolarHBondContact N-O 3.48Å; Y723-T748 PolarHBondContact O-N 3.39Å; T748-F750 HydrophobicContact CG2-CE1 3.99Å; T748-F750 HydrophobicContact CG2-CE2 4.04Å; T748-F750 HydrophobicContact CG2-CZ 3.64Å
749	T	90.5	Very high	84.6	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.006	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	142.3	172.2	-70.2	0	0	0	0	110.1	I676 Y679 G680 A721 S722 L741	I676-T749 HydrophobicContact CD1-CG2 3.94Å; I676-T749 WeakPolarHBondContact CD1-O 3.38Å; I676-T749 PolarHBondContact N-O 3.03Å; I676-T749 PolarHBondContact O-N 2.85Å; Y679-T749 PolarHBondContact O-OG1 3.29Å; G680-T749 WeakPolarHBondContact CA-OG1 3.05Å; A721-T749 CarbonylContact O-C 3.42Å; A721-T749 WeakPolarHBondContact O-CA 3.38Å; A721-T749 WeakPolarHBondContact O-CG2 3.48Å; S722-T749 PolarHBondContact OG-OG1 3Å; L741-T749 HydrophobicContact CD2-CG2 4.29Å
750	F	90.2	Very high	85	Confident	9 Å²	9	49.2 Å²	49.2	4%	0.039	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	136.7	170	-56.4	-81	0	0	0	109.1	V673 A674 E675 A693 T720 A721 T748	V673-F750 HydrophobicContact CG1-CB 4.16Å; V673-F750 HydrophobicContact CG1-CD1 3.66Å; V673-F750 HydrophobicContact CG1-CG 4.34Å; A674-F750 CarbonylContact O-C 3.39Å; A674-F750 VanDerWaalsContact O-CA 3.24Å; A674-F750 WeakPolarHBondContact O-CA 3.37Å; E675-F750 HydrophobicContact CB-CD1 4.19Å; E675-F750 HydrophobicContact CB-CE1 4.15Å; E675-F750 HydrophobicContact CG-CE1 4.03Å; A693-F750 HydrophobicContact CB-CE2 4.42Å; A693-F750 HydrophobicContact CB-CZ 4.18Å; A693-F750 WeakPolarHBondContact O-CE2 3.39Å; A693-F750 VanDerWaalsContact O-CZ 3.27Å; A693-F750 WeakPolarHBondContact O-CZ 3.27Å; T720-F750 CarbonylContact C-O 3.49Å; T720-F750 VanDerWaalsContact CA-O 3.25Å; T720-F750 WeakPolarHBondContact CA-O 3.45Å; A721-F750 HydrophobicContact CB-CB 4.31Å; A721-F750 HydrophobicContact CB-CD2 4.38Å; A721-F750 PolarHBondContact N-O 2.84Å; A721-F750 PolarHBondContact O-N 3.5Å; T748-F750 HydrophobicContact CG2-CE1 3.99Å; T748-F750 HydrophobicContact CG2-CE2 4.04Å; T748-F750 HydrophobicContact CG2-CZ 3.64Å
751	K	89.9	Confident	85	Confident	26 Å²	26	50 Å²	50	11%	0.113	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	132.4	175.9	175.9	177.7	172.6	178	0	109.4	A674 I676 T720 V736 F738 L753 E788	A674-K751 HydrophobicContact CB-CB 4.32Å; A674-K751 PolarHBondContact N-O 2.04Å; A674-K751 PolarHBondContact O-N 3.34Å; I676-K751 HydrophobicContact CD1-CB 4.14Å; T720-K751 HydrophobicContact CG2-CB 4.35Å; T720-K751 HydrophobicContact CG2-CG 4.45Å; V736-K751 WeakPolarHBondContact O-CD 3.44Å; V736-K751 VanDerWaalsContact O-CE 3.28Å; V736-K751 WeakPolarHBondContact O-CE 3.34Å; V736-K751 PolarHBondContact O-NZ 2.92Å; F738-K751 HydrophobicContact CE1-CD 4.22Å; F738-K751 HydrophobicContact CE2-CD 3.93Å; F738-K751 HydrophobicContact CZ-CD 3.75Å; K751-L753 HydrophobicContact CD-CD2 3.95Å; K751-L753 HydrophobicContact CG-CD2 4.03Å; K751-L753 PolarHBondContact O-N 3.36Å; K751-E788 IonicContact NZ-OE1 2.71Å; K751-E788 PolarHBondContact NZ-OE1 2.81Å
752	V	89.8	Confident	84.7	Confident	8 Å²	8	51.1 Å²	51.1	5%	0.048	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	113.8	173.4	-176.1	0	0	0	0	108.7	T664 P671 L701 R719	T664-V752 HydrophobicContact CG2-CG1 3.92Å; P671-V752 HydrophobicContact CB-CG1 3.78Å; L701-V752 HydrophobicContact CD2-CG1 4.34Å; L701-V752 HydrophobicContact CD2-CG2 4.42Å; R719-V752 PolarHBondContact O-N 3.46Å
753	L	88.7	Confident	84.5	Confident	8 Å²	8	45.9 Å²	45.9	4%	0.042	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	147.1	171	-57.7	-177.9	0	0	0	109.7	P671 K672 A674 F738 K751 L755 L767 F769 I792	P671-L753 CarbonylContact C-O 3.55Å; P671-L753 WeakPolarHBondContact CA-O 3.29Å; K672-L753 PolarHBondContact N-O 3.04Å; K672-L753 PolarHBondContact O-N 2.65Å; A674-L753 HydrophobicContact CB-CD1 3.93Å; A674-L753 HydrophobicContact CB-CG 4.11Å; F738-L753 HydrophobicContact CZ-CD2 4.43Å; K751-L753 HydrophobicContact CD-CD2 3.95Å; K751-L753 HydrophobicContact CG-CD2 4.03Å; K751-L753 PolarHBondContact O-N 3.36Å; L753-L755 HydrophobicContact CB-CG 4.3Å; L753-L767 HydrophobicContact CD1-CD1 4.22Å; L753-F769 HydrophobicContact CD1-CE2 4.12Å; L753-F769 HydrophobicContact CD1-CZ 3.91Å; L753-I792 HydrophobicContact CD1-CD1 3.76Å
754	C	89	Confident	84	Confident	28 Å²	28	42.9 Å²	42.9	19%	0.189	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	108.3	174.3	-67	0	0	0	0	109.3	C665 L669	C665-C754 WeakPolarHBondContact CA-SG 3.13Å; C665-C754 HydrophobicContact CB-CB 3.72Å; C665-C754 WeakPolarHBondContact CB-SG 3.47Å; C665-C754 WeakPolarHBondContact SG-CA 3.48Å; C665-C754 WeakPolarHBondContact SG-CB 3.43Å; C665-C754 CovalentContact SG-SG 2.04Å; C665-C754 PolarHBondContact SG-SG 2.85Å; L669-C754 HydrophobicContact CB-CB 3.98Å; L669-C754 HydrophobicContact CD1-CB 3.96Å
755	L	87.4	Confident	83.7	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	153.6	-173.5	-62.6	178.9	0	0	0	111.2	Q670 K672 L753 I759 V760 L767 T789 I792	Q670-L755 PolarHBondContact N-O 3.1Å; Q670-L755 PolarHBondContact O-N 2.96Å; K672-L755 HydrophobicContact CB-CD1 4.02Å; K672-L755 HydrophobicContact CB-CG 4.46Å; K672-L755 HydrophobicContact CG-CD1 4.1Å; L753-L755 HydrophobicContact CB-CG 4.3Å; L755-I759 HydrophobicContact CD1-CG2 4.25Å; L755-V760 HydrophobicContact CB-CG2 3.94Å; L755-L767 HydrophobicContact CD1-CD1 3.73Å; L755-T789 HydrophobicContact CD2-CG2 3.7Å; L755-I792 HydrophobicContact CD1-CG2 4.21Å; L755-I792 HydrophobicContact CD2-CG2 4.15Å
756	P	85.8	Confident	83.8	Confident	39 Å²	39	39.1 Å²	39.1	25%	0.253	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	141.7	174.1	-26	36.8	0	0	0	112.2	L669 E758 I759 V760 M793	L669-P756 HydrophobicContact CD2-CG 3.98Å; P756-E758 PolarHBondContact O-N 2.96Å; P756-E758 VanDerWaalsContact O-N 3.09Å; P756-I759 PolarHBondContact O-N 2.92Å; P756-V760 PolarHBondContact O-N 3.12Å; P756-M793 HydrophobicContact CG-CE 3.95Å; P756-M793 HydrophobicContact CG-SD 3.8Å
757	E	83.2	Confident	84	Confident	130 Å²	130	34.5 Å²	34.5	61%	0.607	19%	0.193	S	C	*	.	H	α-helix	trans	-49.5	-38.7	-176.8	-174	-176	146	0	0	113.3	Q670 I759 V760 A761	Q670-E757 HydrophobicContact CG-CB 3.94Å; Q670-E757 HydrophobicContact CG-CG 4.16Å; E757-I759 VanDerWaalsContact C-N 3.3Å; E757-I759 PolarHBondContact O-N 3.17Å; E757-V760 PolarHBondContact O-N 3.04Å; E757-V760 VanDerWaalsContact O-N 3.17Å; E757-A761 WeakPolarHBondContact O-CB 3.47Å; E757-A761 PolarHBondContact O-N 3.3Å
758	E	78.6	Confident	84.2	Confident	143 Å²	143	34.9 Å²	34.9	67%	0.668	19%	0.193	S	C	*	.	H	α-helix	trans	-54	-44.7	177.5	-59.5	-170.3	158.6	0	0	112.3	P756 D762	P756-E758 PolarHBondContact O-N 2.96Å; P756-E758 VanDerWaalsContact O-N 3.09Å; E758-D762 WeakPolarHBondContact O-CB 3.37Å; E758-D762 PolarHBondContact O-N 3.09Å; E758-D762 VanDerWaalsContact O-N 3.09Å
759	I	79.8	Confident	84.4	Confident	8 Å²	8	33.1 Å²	33.1	4%	0.041	18%	0.183	C	C	.	.	H	α-helix	trans	-73.6	-39.1	179.7	-63.1	-178.9	0	0	0	110.7	L755 P756 E757 A761 D762 C763 M793 A796	L755-I759 HydrophobicContact CD1-CG2 4.25Å; P756-I759 PolarHBondContact O-N 2.92Å; E757-I759 VanDerWaalsContact C-N 3.3Å; E757-I759 PolarHBondContact O-N 3.17Å; I759-A761 VanDerWaalsContact C-N 3.31Å; I759-A761 PolarHBondContact O-N 3.32Å; I759-D762 PolarHBondContact O-N 3.2Å; I759-C763 VanDerWaalsContact O-CB 3.23Å; I759-C763 WeakPolarHBondContact O-CB 3.43Å; I759-C763 PolarHBondContact O-N 3.24Å; I759-C763 PolarHBondContact O-SG 3.43Å; I759-M793 HydrophobicContact CD1-CE 3.8Å; I759-M793 HydrophobicContact CD1-SD 3.34Å; I759-M793 WeakPolarHBondContact CD1-SD 3.25Å; I759-A796 HydrophobicContact CD1-CB 3.62Å; I759-A796 HydrophobicContact CG1-CB 3.99Å; I759-A796 HydrophobicContact CG2-CB 4.48Å
760	V	81.9	Confident	84.4	Confident	34 Å²	34	33.1 Å²	33.1	21%	0.206	18%	0.183	C	C	.	.	H	α-helix	trans	-65.4	-37.1	179.9	-178.5	0	0	0	0	111.2	Q670 K672 L755 P756 E757	Q670-V760 HydrophobicContact CB-CB 4.22Å; Q670-V760 HydrophobicContact CB-CG1 4.35Å; Q670-V760 HydrophobicContact CB-CG2 3.87Å; K672-V760 HydrophobicContact CB-CG2 4.18Å; K672-V760 HydrophobicContact CD-CG1 4.16Å; K672-V760 HydrophobicContact CD-CG2 4.45Å; L755-V760 HydrophobicContact CB-CG2 3.94Å; P756-V760 PolarHBondContact O-N 3.12Å; E757-V760 PolarHBondContact O-N 3.04Å; E757-V760 VanDerWaalsContact O-N 3.17Å
761	A	78.2	Confident	84.4	Confident	73 Å²	73	32.8 Å²	32.8	60%	0.603	18%	0.181	S	C	*	.	H	α-helix	trans	-70.5	-35.2	173.1	0	0	0	0	0	113.4	E757 I759	E757-A761 WeakPolarHBondContact O-CB 3.47Å; E757-A761 PolarHBondContact O-N 3.3Å; I759-A761 VanDerWaalsContact C-N 3.31Å; I759-A761 PolarHBondContact O-N 3.32Å
762	D	75.7	Confident	84.3	Confident	36 Å²	36	34.1 Å²	34.1	19%	0.193	19%	0.188	C	C	.	.	H	α-helix	trans	-73	-29.9	177	-71.7	-35.4	0	0	0	113.7	E758 I759 P764 C848 A849 K850	E758-D762 WeakPolarHBondContact O-CB 3.37Å; E758-D762 PolarHBondContact O-N 3.09Å; E758-D762 VanDerWaalsContact O-N 3.09Å; I759-D762 PolarHBondContact O-N 3.2Å; D762-P764 VanDerWaalsContact C-CD 3.49Å; D762-P764 WeakPolarHBondContact O-CD 3.29Å; D762-C848 CarbonylContact O-C 3.58Å; D762-C848 WeakPolarHBondContact O-CA 3.02Å; D762-C848 WeakPolarHBondContact O-CB 3.46Å; D762-A849 PolarHBondContact O-N 2.81Å; D762-K850 HydrophobicContact CB-CD 4.37Å; D762-K850 HydrophobicContact CB-CG 4.43Å; D762-K850 VanDerWaalsContact CG-CD 3.41Å; D762-K850 VanDerWaalsContact CG-NZ 3.31Å; D762-K850 VanDerWaalsContact OD1-CD 3.25Å; D762-K850 WeakPolarHBondContact OD1-CD 3.39Å; D762-K850 WeakPolarHBondContact OD1-CE 3.38Å; D762-K850 WeakPolarHBondContact OD1-CG 3.49Å; D762-K850 IonicContact OD1-NZ 2.77Å; D762-K850 PolarHBondContact OD1-NZ 3.31Å; D762-K850 VanDerWaalsContact OD2-CD 3.23Å; D762-K850 WeakPolarHBondContact OD2-CD 3.48Å; D762-K850 WeakPolarHBondContact OD2-CE 3.27Å; D762-K850 IonicContact OD2-NZ 3.17Å; D762-K850 PolarHBondContact OD2-NZ 2.88Å
763	C	76.5	Confident	84.3	Confident	2 Å²	2	35 Å²	35	1%	0.014	19%	0.191	C	C	.	.			trans	-120	76.2	-167.4	-46.8	0	0	0	0	109.8	K672 I759 L767 C848	K672-C763 WeakPolarHBondContact CE-O 3.45Å; K672-C763 PolarHBondContact NZ-O 2.03Å; I759-C763 VanDerWaalsContact O-CB 3.23Å; I759-C763 WeakPolarHBondContact O-CB 3.43Å; I759-C763 PolarHBondContact O-N 3.24Å; I759-C763 PolarHBondContact O-SG 3.43Å; C763-L767 HydrophobicContact CB-CD2 4.31Å; C763-C848 HydrophobicContact CB-CB 3.92Å; C763-C848 WeakPolarHBondContact CB-SG 3.24Å; C763-C848 WeakPolarHBondContact SG-CB 3.05Å; C763-C848 CovalentContact SG-SG 2.03Å; C763-C848 PolarHBondContact SG-SG 2.86Å
764	P	71.8	Confident	84.4	Confident	30 Å²	30	34.6 Å²	34.6	20%	0.195	19%	0.189	C	C	.	.			trans	-70.5	-38.5	-171.6	26.7	-34.9	0	0	0	112.9	F600 K672 D762	F600-P764 HydrophobicContact CD1-CB 3.45Å; F600-P764 VanDerWaalsContact CD1-CB 3.45Å; F600-P764 HydrophobicContact CD1-CG 3.72Å; F600-P764 HydrophobicContact CE1-CB 3.83Å; F600-P764 HydrophobicContact CE1-CG 4.17Å; F600-P764 HydrophobicContact CG-CB 4.39Å; K672-P764 VanDerWaalsContact NZ-C 3.34Å; K672-P764 PolarHBondContact NZ-O 3.2Å; D762-P764 VanDerWaalsContact C-CD 3.49Å; D762-P764 WeakPolarHBondContact O-CD 3.29Å
765	N	77.7	Confident	84.5	Confident	59 Å²	59	33.3 Å²	33.3	32%	0.316	18%	0.181	S	C	.	.	S	Bend	trans	-64.1	160.5	177	-57.7	-57.5	0	0	0	112	K672 R847	K672-N765 WeakPolarHBondContact CE-O 2.99Å; K672-N765 PolarHBondContact NZ-O 3.18Å; N765-R847 HydrophobicContact CB-CB 3.92Å; N765-R847 PolarHBondContact ND2-O 2.82Å
766	N	84.8	Confident	84.4	Confident	41 Å²	41	34.7 Å²	34.7	22%	0.219	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-59.2	139	166.5	-70.1	-9.9	0	0	0	110.1	V673 E675 R847	V673-N766 HydrophobicContact CG1-CB 4.16Å; E675-N766 HydrophobicContact CB-CB 4.08Å; N766-R847 WeakPolarHBondContact O-CD 3.47Å
767	L	88.4	Confident	84.2	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	129.8	171.3	-55.2	176.4	0	0	0	107.4	K672 V673 A674 E675 L753 L755 C763 F769 L846	K672-L767 HydrophobicContact CG-CD1 3.87Å; K672-L767 HydrophobicContact CG-CG 4.02Å; V673-L767 PolarHBondContact O-N 2.79Å; A674-L767 CarbonylContact C-O 3.51Å; A674-L767 VanDerWaalsContact CA-O 3.31Å; A674-L767 WeakPolarHBondContact CA-O 3.23Å; E675-L767 PolarHBondContact N-O 2.77Å; L753-L767 HydrophobicContact CD1-CD1 4.22Å; L755-L767 HydrophobicContact CD1-CD1 3.73Å; C763-L767 HydrophobicContact CB-CD2 4.31Å; L767-F769 HydrophobicContact CB-CD2 4.29Å; L767-F769 HydrophobicContact CB-CE2 3.65Å; L767-F769 HydrophobicContact CD1-CE2 4.4Å; L767-L846 HydrophobicContact CD2-CB 4.43Å; L767-L846 HydrophobicContact CD2-CD2 4.12Å; L767-L846 WeakPolarHBondContact CD2-O 3.29Å
768	Y	91.5	Very high	84.3	Confident	21 Å²	21	31.5 Å²	31.5	8%	0.082	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	134.6	-179.7	170.1	-91.8	0	0	0	110.6	A677 A770 R827 Y843 F844 E845 R847	A677-Y768 HydrophobicContact CB-CE2 4.34Å; Y768-A770 HydrophobicContact CE1-CB 4.11Å; Y768-R827 VanDerWaalsContact CE2-NH2 3.27Å; Y768-Y843 HydrophobicContact CD1-CE1 4.22Å; Y768-Y843 HydrophobicContact CE1-CD1 4.4Å; Y768-Y843 HydrophobicContact CE1-CE1 4.16Å; Y768-F844 CarbonylContact O-C 3.47Å; Y768-F844 WeakPolarHBondContact O-CA 3.23Å; Y768-F844 WeakPolarHBondContact O-CB 3.3Å; Y768-E845 HydrophobicContact CD1-CG 4.16Å; Y768-E845 WeakPolarHBondContact CD1-OE1 3.37Å; Y768-E845 PolarHBondContact N-O 2.87Å; Y768-E845 PolarHBondContact O-N 2.04Å; Y768-R847 VanDerWaalsContact CB-CZ 3.42Å; Y768-R847 VanDerWaalsContact CB-NH2 3.25Å
769	F	92.5	Very high	84.8	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	145.6	179.6	-74	-106.1	0	0	0	111.1	A674 E675 I676 F738 L753 L767 I792 V842 Y843 F844	A674-F769 HydrophobicContact CB-CD2 3.47Å; A674-F769 VanDerWaalsContact CB-CD2 3.47Å; A674-F769 HydrophobicContact CB-CE2 3.43Å; A674-F769 VanDerWaalsContact CB-CE2 3.43Å; A674-F769 HydrophobicContact CB-CG 4.4Å; A674-F769 HydrophobicContact CB-CZ 4.36Å; E675-F769 PolarHBondContact O-N 2.8Å; I676-F769 HydrophobicContact CG1-CB 3.94Å; F738-F769 HydrophobicContact CD1-CB 4.11Å; F738-F769 HydrophobicContact CD1-CD1 4.01Å; F738-F769 HydrophobicContact CD1-CG 4.21Å; F738-F769 HydrophobicContact CD2-CD1 4.48Å; F738-F769 HydrophobicContact CE1-CB 3.72Å; F738-F769 AromaticContact CE1-CD1 3.47Å; F738-F769 HydrophobicContact CE1-CD1 3.47Å; F738-F769 VanDerWaalsContact CE1-CD1 3.47Å; F738-F769 HydrophobicContact CE1-CD2 4.09Å; F738-F769 HydrophobicContact CE1-CE1 4.09Å; F738-F769 AromaticContact CE1-CG 3.49Å; F738-F769 HydrophobicContact CE1-CG 3.49Å; F738-F769 VanDerWaalsContact CE1-CG 3.49Å; F738-F769 HydrophobicContact CE2-CD1 4.01Å; F738-F769 AromaticContact CE2-CE1 3.91Å; F738-F769 HydrophobicContact CE2-CE1 3.91Å; F738-F769 HydrophobicContact CG-CD1 4.48Å; F738-F769 AromaticContact CZ-CD1 3.46Å; F738-F769 HydrophobicContact CZ-CD1 3.46Å; F738-F769 VanDerWaalsContact CZ-CD1 3.46Å; F738-F769 HydrophobicContact CZ-CD2 4.16Å; F738-F769 AromaticContact CZ-CE1 3.57Å; F738-F769 HydrophobicContact CZ-CE1 3.57Å; F738-F769 HydrophobicContact CZ-CE2 4.24Å; F738-F769 AromaticContact CZ-CG 3.8Å; F738-F769 HydrophobicContact CZ-CG 3.8Å; F738-F769 AromaticContact CZ-CZ 3.97Å; F738-F769 HydrophobicContact CZ-CZ 3.97Å; L753-F769 HydrophobicContact CD1-CE2 4.12Å; L753-F769 HydrophobicContact CD1-CZ 3.91Å; L767-F769 HydrophobicContact CB-CD2 4.29Å; L767-F769 HydrophobicContact CB-CE2 3.65Å; L767-F769 HydrophobicContact CD1-CE2 4.4Å; F769-I792 HydrophobicContact CE1-CD1 4.36Å; F769-I792 HydrophobicContact CZ-CD1 3.71Å; F769-I792 HydrophobicContact CZ-CG1 4.29Å; F769-V842 HydrophobicContact CB-CG2 4.33Å; F769-V842 HydrophobicContact CD1-CG2 3.82Å; F769-Y843 CarbonylContact C-O 3.44Å; F769-Y843 WeakPolarHBondContact CA-O 3.12Å; F769-F844 HydrophobicContact CD1-CB 3.6Å; F769-F844 HydrophobicContact CD1-CD1 4.49Å; F769-F844 HydrophobicContact CD1-CG 4.35Å; F769-F844 HydrophobicContact CD2-CB 4.23Å; F769-F844 HydrophobicContact CE1-CB 3.58Å; F769-F844 HydrophobicContact CE1-CD1 4.02Å; F769-F844 AromaticContact CE1-CG 3.9Å; F769-F844 HydrophobicContact CE1-CG 3.9Å; F769-F844 HydrophobicContact CE2-CB 4.22Å; F769-F844 HydrophobicContact CG-CB 3.93Å; F769-F844 HydrophobicContact CZ-CB 3.89Å; F769-F844 HydrophobicContact CZ-CG 4.2Å
770	A	90.4	Very high	85.2	Confident	1 Å²	1	26.7 Å²	26.7	1%	0.008	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	106.7	172.8	0	0	0	0	0	110	Y768 H773 Y834 Y843	Y768-A770 HydrophobicContact CE1-CB 4.11Å; A770-H773 HydrophobicContact CB-CB 3.92Å; A770-Y834 WeakPolarHBondContact CB-OH 3.12Å; A770-Y843 HydrophobicContact CB-CD1 4.23Å; A770-Y843 PolarHBondContact N-O 2.86Å; A770-Y843 PolarHBondContact O-N 3.1Å
771	P	90.5	Very high	85.5	Confident	1 Å²	1	25.2 Å²	25.2	1%	0.006	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	152.6	166	-23.1	33.1	0	0	0	111.3	I676 Y679 F738 L741 H773	I676-P771 HydrophobicContact CG2-CG 4.14Å; Y679-P771 HydrophobicContact CD1-CB 4.24Å; Y679-P771 HydrophobicContact CD1-CG 4.1Å; Y679-P771 HydrophobicContact CD2-CG 4.11Å; Y679-P771 HydrophobicContact CE1-CB 3.96Å; Y679-P771 HydrophobicContact CE1-CG 4.29Å; Y679-P771 HydrophobicContact CE2-CB 4.37Å; Y679-P771 HydrophobicContact CE2-CG 4.29Å; Y679-P771 HydrophobicContact CG-CG 4.03Å; Y679-P771 PolarHBondContact OH-O 2.71Å; Y679-P771 VanDerWaalsContact OH-O 3.12Å; F738-P771 WeakPolarHBondContact O-CG 3.25Å; L741-P771 HydrophobicContact CD1-CG 4.24Å; P771-H773 PolarHBondContact O-N 2.8Å; P771-H773 VanDerWaalsContact O-N 3.1Å; P771-H773 PolarHBondContact O-ND1 3.47Å
772	H	88.2	Confident	86.2	Confident	55 Å²	55	21.8 Å²	21.8	26%	0.255	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	30.9	173.3	-57	-68.4	0	0	0	114.8	E836 D837 S839 V841	H772-E836 CarbonylContact O-C 3.58Å; H772-E836 WeakPolarHBondContact O-CA 3.28Å; H772-D837 PolarHBondContact O-N 2.79Å; H772-S839 PolarHBondContact ND1-O 2.86Å; H772-V841 PolarHBondContact N-O 2.9Å
773	H	90.6	Very high	86.8	Confident	25 Å²	25	20.5 Å²	20.5	12%	0.116	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	146.5	179.5	-81	79.2	0	0	0	111.8	A770 P771 Y834 S835 Y843	A770-H773 HydrophobicContact CB-CB 3.92Å; P771-H773 PolarHBondContact O-N 2.8Å; P771-H773 VanDerWaalsContact O-N 3.1Å; P771-H773 PolarHBondContact O-ND1 3.47Å; H773-Y834 HydrophobicContact CB-CE2 4Å; H773-Y834 AromaticContact CD2-CE1 3.29Å; H773-Y834 WeakPolarHBondContact CD2-CE1 3.34Å; H773-Y834 AromaticContact CD2-CZ 3.26Å; H773-Y834 PolarHBondContact CD2-OH 2.81Å; H773-Y834 VanDerWaalsContact CD2-OH 3.27Å; H773-Y834 AromaticContact CG-CZ 3.78Å; H773-Y834 AromaticContact NE2-CE1 3.81Å; H773-S835 WeakPolarHBondContact CA-O 3.41Å; H773-Y843 WeakPolarHBondContact O-CB 3.4Å
774	V	91.1	Very high	87.5	Confident	1 Å²	1	22.9 Å²	22.9	1%	0.006	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	152.7	176.8	-60.4	0	0	0	0	111.7	V776 M810 Y812 Y834 S835 D837 V841 K892	V774-V776 HydrophobicContact CG2-CG2 4.09Å; V774-M810 VanDerWaalsContact CA-SD 3.57Å; V774-M810 HydrophobicContact CB-SD 3.75Å; V774-M810 HydrophobicContact CG1-SD 4.11Å; V774-Y812 WeakPolarHBondContact CG1-OH 3.13Å; V774-Y834 WeakPolarHBondContact O-CA 3.27Å; V774-S835 PolarHBondContact N-O 3.49Å; V774-S835 PolarHBondContact O-N 2.76Å; V774-D837 HydrophobicContact CG1-CB 3.85Å; V774-D837 HydrophobicContact CG2-CB 4.11Å; V774-V841 HydrophobicContact CG1-CG1 3.95Å; V774-V841 HydrophobicContact CG1-CG2 4.29Å; V774-K892 HydrophobicContact CG2-CD 4.45Å
775	L	90.4	Very high	88.4	Confident	1 Å²	1	21.6 Å²	21.6	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	104.1	172.2	-172	73.2	0	0	0	109.2	F778 M810 N823 E825 Q830 V833 Y834 Y843	L775-F778 HydrophobicContact CD2-CB 4.31Å; L775-M810 HydrophobicContact CB-SD 4.48Å; L775-M810 PolarHBondContact N-SD 3.17Å; L775-N823 HydrophobicContact CD2-CB 4.31Å; L775-E825 HydrophobicContact CD2-CB 4.48Å; L775-E825 WeakPolarHBondContact CD2-O 3.32Å; L775-Q830 HydrophobicContact CD1-CB 4.17Å; L775-V833 HydrophobicContact CD1-CG2 4.02Å; L775-Y834 HydrophobicContact CD1-CD2 4.3Å; L775-Y843 HydrophobicContact CB-CD2 4.17Å; L775-Y843 HydrophobicContact CB-CE2 3.94Å; L775-Y843 HydrophobicContact CD2-CE2 4.29Å
776	V	85.1	Confident	88.8	Confident	29 Å²	29	26.5 Å²	26.5	18%	0.176	14%	0.143	C	C	.	.			trans	-79	138.9	-169.6	-175.2	0	0	0	0	111.7	V774 F778 V833 K891 K892	V774-V776 HydrophobicContact CG2-CG2 4.09Å; V776-F778 VanDerWaalsContact O-CD2 3.27Å; V776-F778 WeakPolarHBondContact O-CD2 3.03Å; V776-F778 PolarHBondContact O-N 2.71Å; V776-V833 HydrophobicContact CB-CB 4.26Å; V776-V833 PolarHBondContact N-O 2.81Å; V776-K891 WeakPolarHBondContact CG1-O 3.42Å; V776-K892 HydrophobicContact CG2-CB 4.35Å; V776-K892 HydrophobicContact CG2-CG 4.12Å
777	G	80.8	Confident	89	Confident	41 Å²	41	27.7 Å²	27.7	42%	0.423	15%	0.15	S	C	.	.	S	Bend	trans	85.1	-16.6	169.1	0	0	0	0	0	117.1
778	F	86	Confident	89	Confident	60 Å²	60	28.8 Å²	28.8	26%	0.263	16%	0.155	S	C	.	.			trans	-99.3	13.3	-173.7	-68.3	-77	0	0	0	115.5	L775 V776 K780 N823 T824 E825 Q830 V833	L775-F778 HydrophobicContact CD2-CB 4.31Å; V776-F778 VanDerWaalsContact O-CD2 3.27Å; V776-F778 WeakPolarHBondContact O-CD2 3.03Å; V776-F778 PolarHBondContact O-N 2.71Å; F778-K780 PolarHBondContact O-N 3.46Å; F778-N823 HydrophobicContact CB-CB 4.5Å; F778-N823 VanDerWaalsContact O-CA 3.25Å; F778-N823 WeakPolarHBondContact O-CA 3.42Å; F778-N823 WeakPolarHBondContact O-CB 3.32Å; F778-T824 PolarHBondContact O-N 2.79Å; F778-E825 HydrophobicContact CB-CB 4.1Å; F778-E825 HydrophobicContact CB-CG 4.3Å; F778-E825 HydrophobicContact CD1-CB 4Å; F778-E825 HydrophobicContact CD1-CG 3.38Å; F778-E825 HydrophobicContact CE1-CG 3.85Å; F778-E825 HydrophobicContact CG-CB 3.97Å; F778-E825 HydrophobicContact CG-CG 3.89Å; F778-Q830 HydrophobicContact CD1-CG 4.43Å; F778-Q830 HydrophobicContact CD2-CB 4.15Å; F778-Q830 HydrophobicContact CD2-CG 3.88Å; F778-Q830 HydrophobicContact CE1-CG 4.09Å; F778-Q830 HydrophobicContact CE2-CB 3.87Å; F778-Q830 HydrophobicContact CE2-CG 3.5Å; F778-Q830 VanDerWaalsContact CE2-CG 3.5Å; F778-Q830 HydrophobicContact CG-CG 4.34Å; F778-Q830 HydrophobicContact CZ-CB 4.44Å; F778-Q830 HydrophobicContact CZ-CG 3.61Å; F778-V833 HydrophobicContact CD2-CG2 3.9Å; F778-V833 HydrophobicContact CE2-CG2 3.66Å
779	A	88.9	Confident	88.8	Confident	5 Å²	5	29.9 Å²	29.9	4%	0.041	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	115.2	177.9	0	0	0	0	0	112	I821 N823 I894	A779-I821 HydrophobicContact CB-CG2 3.49Å; A779-I821 VanDerWaalsContact CB-CG2 3.49Å; A779-N823 WeakPolarHBondContact CA-OD1 3.47Å; A779-I894 HydrophobicContact CB-CB 4.03Å; A779-I894 HydrophobicContact CB-CG1 4Å; A779-I894 HydrophobicContact CB-CG2 4.07Å
780	K	88.3	Confident	88.6	Confident	46 Å²	46	32.5 Å²	32.5	20%	0.2	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	-28.5	-179.6	-176.3	56	-177.6	159.2	0	113.7	F778 F804 L822 T824 T871 E872	F778-K780 PolarHBondContact O-N 3.46Å; K780-F804 HydrophobicContact CB-CD2 4.2Å; K780-F804 HydrophobicContact CB-CE2 4.15Å; K780-F804 HydrophobicContact CB-CG 4.44Å; K780-F804 HydrophobicContact CB-CZ 4.35Å; K780-F804 HydrophobicContact CG-CB 4.18Å; K780-F804 HydrophobicContact CG-CD1 3.8Å; K780-F804 HydrophobicContact CG-CD2 3.96Å; K780-F804 HydrophobicContact CG-CE1 4.18Å; K780-F804 HydrophobicContact CG-CE2 4.3Å; K780-F804 HydrophobicContact CG-CG 3.72Å; K780-F804 HydrophobicContact CG-CZ 4.41Å; K780-L822 PolarHBondContact N-O 2.63Å; K780-T824 HydrophobicContact CB-CG2 3.79Å; K780-T824 HydrophobicContact CG-CG2 3.91Å; K780-T871 WeakPolarHBondContact O-CA 3.46Å; K780-T871 WeakPolarHBondContact O-CB 3.41Å; K780-E872 HydrophobicContact CD-CG 4.34Å; K780-E872 VanDerWaalsContact CE-OE1 3.22Å; K780-E872 WeakPolarHBondContact CE-OE1 3.22Å; K780-E872 HydrophobicContact CG-CG 4.49Å; K780-E872 IonicContact NZ-OE1 3.82Å; K780-E872 PolarHBondContact NZ-OE1 2.93Å; K780-E872 PolarHBondContact O-N 3.02Å
781	Q	89.2	Confident	88.8	Confident	2 Å²	2	32.4 Å²	32.4	1%	0.009	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	147.3	171.7	-166.7	-176	24.3	0	0	109.8	F804 L822 E872 W873 N875	Q781-F804 HydrophobicContact CB-CE1 3.75Å; Q781-F804 HydrophobicContact CB-CZ 3.96Å; Q781-L822 HydrophobicContact CB-CB 4.39Å; Q781-L822 HydrophobicContact CB-CD1 4.4Å; Q781-L822 PolarHBondContact N-O 2.74Å; Q781-L822 PolarHBondContact O-N 3.21Å; Q781-E872 HydrophobicContact CB-CB 4.26Å; Q781-E872 HydrophobicContact CG-CB 4.15Å; Q781-W873 PolarHBondContact NE2-O 2.95Å; Q781-N875 PolarHBondContact NE2-OD1 2.81Å
782	V	91.1	Very high	88.8	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	144.3	169.4	-178.7	0	0	0	0	108.5	E818 C820 I821 S874 Y886 I894	V782-E818 HydrophobicContact CG1-CB 3.99Å; V782-C820 CarbonylContact C-O 3.59Å; V782-I821 HydrophobicContact CG1-CG1 4.32Å; V782-I821 HydrophobicContact CG2-CG1 4.27Å; V782-I821 HydrophobicContact CG2-CG2 4.34Å; V782-S874 VanDerWaalsContact O-CA 3.26Å; V782-S874 WeakPolarHBondContact O-CA 3.49Å; V782-S874 WeakPolarHBondContact O-CB 3.22Å; V782-Y886 HydrophobicContact CB-CD2 4.03Å; V782-Y886 HydrophobicContact CB-CE2 3.67Å; V782-Y886 HydrophobicContact CG1-CE2 3.79Å; V782-Y886 HydrophobicContact CG2-CD2 3.63Å; V782-Y886 HydrophobicContact CG2-CE2 3.68Å; V782-I894 HydrophobicContact CG2-CG2 3.78Å
783	G	89	Confident	88.9	Confident	9 Å²	9	31.6 Å²	31.6	9%	0.093	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	177.3	-179.9	0	0	0	0	0	112.6	E818 N819 C820	G783-E818 CarbonylContact O-C 3.53Å; G783-E818 VanDerWaalsContact O-CA 3.3Å; G783-E818 WeakPolarHBondContact O-CA 3.17Å; G783-N819 PolarHBondContact O-N 3.47Å; G783-N819 VanDerWaalsContact O-N 3.11Å; G783-C820 PolarHBondContact N-O 3.17Å; G783-C820 PolarHBondContact O-N 3.45Å
784	T	90.3	Very high	88.9	Confident	53 Å²	53	31.6 Å²	31.6	33%	0.325	17%	0.173	S	C	.	.			trans	-114.4	118.2	178	-62.2	0	0	0	0	109.4	E818 N819 K877	T784-E818 PolarHBondContact OG1-N 3.31Å; T784-N819 WeakPolarHBondContact CA-OD1 3.44Å; T784-K877 WeakPolarHBondContact O-CE 3.49Å; T784-K877 PolarHBondContact O-NZ 2.79Å
785	A	90.6	Very high	88.9	Confident	2 Å²	2	31.7 Å²	31.7	2%	0.017	17%	0.173	C	C	.	.			trans	-112.5	149.8	173.2	0	0	0	0	0	110.5	D787 E790 C791 L794 Y811 N819 C820	A785-D787 WeakPolarHBondContact CB-O 3.4Å; A785-E790 VanDerWaalsContact CA-OE2 3.25Å; A785-E790 WeakPolarHBondContact CA-OE2 3.29Å; A785-E790 HydrophobicContact CB-CB 3.94Å; A785-E790 HydrophobicContact CB-CG 4.14Å; A785-C791 HydrophobicContact CB-CB 3.83Å; A785-L794 HydrophobicContact CB-CD1 4.29Å; A785-Y811 HydrophobicContact CB-CD2 4.23Å; A785-Y811 HydrophobicContact CB-CE2 3.83Å; A785-N819 PolarHBondContact N-OD1 3.28Å; A785-N819 PolarHBondContact O-ND2 2.79Å; A785-N819 PolarHBondContact O-OD1 2.93Å; A785-C820 HydrophobicContact CB-CB 3.92Å
786	Q	88.1	Confident	88.8	Confident	162 Å²	162	33.1 Å²	33.1	76%	0.757	19%	0.185	S	C	*	.	S	Bend	trans	-80.1	-29.5	174.6	-66.8	-177.8	5.6	0	0	112.5	E790 Y811	Q786-E790 PolarHBondContact N-OE2 2.82Å; Q786-Y811 PolarHBondContact O-OH 2.9Å
787	D	88.1	Confident	88.8	Confident	67 Å²	67	36.1 Å²	36.1	36%	0.358	20%	0.197	S	C	.	.	S	Bend	trans	-150.9	177.7	-179.9	57.3	45.3	0	0	0	110.8	A785 T789 E790 C791 Y811	A785-D787 WeakPolarHBondContact CB-O 3.4Å; D787-T789 PolarHBondContact O-N 2.58Å; D787-T789 VanDerWaalsContact OD1-CA 3.23Å; D787-T789 WeakPolarHBondContact OD1-CA 3.22Å; D787-T789 WeakPolarHBondContact OD1-CB 3.35Å; D787-T789 PolarHBondContact OD1-N 2.81Å; D787-E790 PolarHBondContact O-N 3.3Å; D787-E790 PolarHBondContact OD1-N 3.11Å; D787-C791 PolarHBondContact O-N 2.67Å; D787-Y811 WeakPolarHBondContact CA-OH 3.49Å; D787-Y811 PolarHBondContact N-OH 2.82Å
788	E	87.4	Confident	89	Confident	22 Å²	22	34.1 Å²	34.1	10%	0.103	18%	0.177	C	C	.	.	H	α-helix	trans	-57.2	-30	174	58.5	-121	-142.6	0	0	113.5	F738 K751 C791 I792 Y811 Y813	F738-E788 HydrophobicContact CD2-CG 4.33Å; F738-E788 VanDerWaalsContact CD2-OE1 3.24Å; F738-E788 WeakPolarHBondContact CD2-OE1 3.36Å; F738-E788 HydrophobicContact CE2-CG 4Å; F738-E788 WeakPolarHBondContact CE2-OE1 3.35Å; K751-E788 IonicContact NZ-OE1 2.71Å; K751-E788 PolarHBondContact NZ-OE1 2.81Å; E788-C791 PolarHBondContact O-N 3.04Å; E788-I792 VanDerWaalsContact O-CG1 3.27Å; E788-I792 WeakPolarHBondContact O-CG1 3.49Å; E788-I792 PolarHBondContact O-N 2.79Å; E788-Y811 HydrophobicContact CB-CD1 4.27Å; E788-Y813 VanDerWaalsContact OE2-CE1 3.26Å; E788-Y813 WeakPolarHBondContact OE2-CE1 3.42Å; E788-Y813 PolarHBondContact OE2-OH 3.02Å
789	T	87.5	Confident	88.7	Confident	44 Å²	44	33.3 Å²	33.3	27%	0.27	17%	0.173	S	C	.	.	H	α-helix	trans	-73.8	-45.3	-175.8	-50.3	0	0	0	0	110.9	L755 D787 C791 I792 M793	L755-T789 HydrophobicContact CD2-CG2 3.7Å; D787-T789 PolarHBondContact O-N 2.58Å; D787-T789 VanDerWaalsContact OD1-CA 3.23Å; D787-T789 WeakPolarHBondContact OD1-CA 3.22Å; D787-T789 WeakPolarHBondContact OD1-CB 3.35Å; D787-T789 PolarHBondContact OD1-N 2.81Å; T789-C791 PolarHBondContact O-N 3.11Å; T789-I792 WeakPolarHBondContact O-CB 3.45Å; T789-I792 PolarHBondContact O-N 2.98Å; T789-I792 VanDerWaalsContact O-N 3.17Å; T789-M793 VanDerWaalsContact O-CG 3.3Å; T789-M793 WeakPolarHBondContact O-CG 3.31Å; T789-M793 PolarHBondContact O-N 3.42Å
790	E	89.9	Confident	88.2	Confident	55 Å²	55	39.4 Å²	39.4	26%	0.257	20%	0.2	S	C	.	.	H	α-helix	trans	-62.1	-31.7	171.9	-173.2	177.5	-154.9	0	0	111.2	A785 Q786 D787 M793 L794 K877	A785-E790 VanDerWaalsContact CA-OE2 3.25Å; A785-E790 WeakPolarHBondContact CA-OE2 3.29Å; A785-E790 HydrophobicContact CB-CB 3.94Å; A785-E790 HydrophobicContact CB-CG 4.14Å; Q786-E790 PolarHBondContact N-OE2 2.82Å; D787-E790 PolarHBondContact O-N 3.3Å; D787-E790 PolarHBondContact OD1-N 3.11Å; E790-M793 WeakPolarHBondContact O-CB 3.29Å; E790-M793 PolarHBondContact O-N 3.46Å; E790-L794 HydrophobicContact CG-CD1 4.5Å; E790-L794 WeakPolarHBondContact O-CB 3.36Å; E790-L794 VanDerWaalsContact O-CG 3.29Å; E790-L794 WeakPolarHBondContact O-CG 3.32Å; E790-L794 PolarHBondContact O-N 2.94Å; E790-K877 WeakPolarHBondContact OE1-CE 3.42Å; E790-K877 IonicContact OE1-NZ 3.21Å; E790-K877 PolarHBondContact OE1-NZ 2.04Å; E790-K877 IonicContact OE2-NZ 3.96Å; E790-K877 PolarHBondContact OE2-NZ 2.86Å
791	C	93.5	Very high	87.6	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-69.1	-39.8	173.7	-166.9	0	0	0	0	112.8	A785 D787 E788 T789 L794 C795 Y811 C820 F844	A785-C791 HydrophobicContact CB-CB 3.83Å; D787-C791 PolarHBondContact O-N 2.67Å; E788-C791 PolarHBondContact O-N 3.04Å; T789-C791 PolarHBondContact O-N 3.11Å; C791-L794 PolarHBondContact O-N 3.45Å; C791-C795 PolarHBondContact O-N 3.31Å; C791-Y811 HydrophobicContact CB-CD2 3.85Å; C791-Y811 HydrophobicContact CB-CG 4.31Å; C791-C820 WeakPolarHBondContact CA-SG 3.38Å; C791-C820 HydrophobicContact CB-CB 3.82Å; C791-C820 WeakPolarHBondContact CB-SG 3.46Å; C791-C820 VanDerWaalsContact SG-CA 3.6Å; C791-C820 WeakPolarHBondContact SG-CB 3.49Å; C791-C820 CovalentContact SG-SG 2.04Å; C791-C820 PolarHBondContact SG-SG 2.82Å; C791-F844 HydrophobicContact CB-CE1 4.26Å; C791-F844 HydrophobicContact CB-CZ 4.12Å
792	I	91.3	Very high	86.8	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-58.5	-47.1	170.3	-69.1	160.8	0	0	0	110.6	L753 L755 F769 E788 T789 L794 C795 A796 F844 L846	L753-I792 HydrophobicContact CD1-CD1 3.76Å; L755-I792 HydrophobicContact CD1-CG2 4.21Å; L755-I792 HydrophobicContact CD2-CG2 4.15Å; F769-I792 HydrophobicContact CE1-CD1 4.36Å; F769-I792 HydrophobicContact CZ-CD1 3.71Å; F769-I792 HydrophobicContact CZ-CG1 4.29Å; E788-I792 VanDerWaalsContact O-CG1 3.27Å; E788-I792 WeakPolarHBondContact O-CG1 3.49Å; E788-I792 PolarHBondContact O-N 2.79Å; T789-I792 WeakPolarHBondContact O-CB 3.45Å; T789-I792 PolarHBondContact O-N 2.98Å; T789-I792 VanDerWaalsContact O-N 3.17Å; I792-L794 PolarHBondContact O-N 3.34Å; I792-C795 PolarHBondContact O-N 3.31Å; I792-A796 WeakPolarHBondContact O-CB 2.98Å; I792-A796 PolarHBondContact O-N 2.87Å; I792-F844 HydrophobicContact CB-CE2 4.36Å; I792-F844 HydrophobicContact CG1-CD2 4.18Å; I792-F844 HydrophobicContact CG1-CE1 4.45Å; I792-F844 HydrophobicContact CG1-CE2 3.72Å; I792-F844 HydrophobicContact CG1-CZ 3.86Å; I792-L846 HydrophobicContact CG1-CD2 4.45Å; I792-L846 HydrophobicContact CG2-CD2 3.9Å
793	M	88.8	Confident	86.1	Confident	39 Å²	39	42.9 Å²	42.9	19%	0.192	23%	0.234	C	C	.	.	H	α-helix	trans	-57.7	-46.5	176.6	-66.8	-60.8	-55.3	0	0	111.5	P756 I759 T789 E790 C795 A796 Q797	P756-M793 HydrophobicContact CG-CE 3.95Å; P756-M793 HydrophobicContact CG-SD 3.8Å; I759-M793 HydrophobicContact CD1-CE 3.8Å; I759-M793 HydrophobicContact CD1-SD 3.34Å; I759-M793 WeakPolarHBondContact CD1-SD 3.25Å; T789-M793 VanDerWaalsContact O-CG 3.3Å; T789-M793 WeakPolarHBondContact O-CG 3.31Å; T789-M793 PolarHBondContact O-N 3.42Å; E790-M793 WeakPolarHBondContact O-CB 3.29Å; E790-M793 PolarHBondContact O-N 3.46Å; M793-C795 PolarHBondContact O-N 3Å; M793-A796 PolarHBondContact O-N 2.84Å; M793-Q797 VanDerWaalsContact O-CB 3.3Å; M793-Q797 WeakPolarHBondContact O-CB 3.23Å; M793-Q797 WeakPolarHBondContact O-CG 2.94Å; M793-Q797 PolarHBondContact O-N 3.31Å
794	L	90.6	Very high	85.6	Confident	25 Å²	25	43.6 Å²	43.6	13%	0.131	24%	0.235	C	C	.	.	H	α-helix	trans	-61.7	-41.6	178.4	-75.6	169.8	0	0	0	112.4	A785 E790 C791 I792 A798 C820 L822	A785-L794 HydrophobicContact CB-CD1 4.29Å; E790-L794 HydrophobicContact CG-CD1 4.5Å; E790-L794 WeakPolarHBondContact O-CB 3.36Å; E790-L794 VanDerWaalsContact O-CG 3.29Å; E790-L794 WeakPolarHBondContact O-CG 3.32Å; E790-L794 PolarHBondContact O-N 2.94Å; C791-L794 PolarHBondContact O-N 3.45Å; I792-L794 PolarHBondContact O-N 3.34Å; L794-A798 PolarHBondContact O-N 2.85Å; L794-C820 HydrophobicContact CD1-CB 4.41Å; L794-L822 HydrophobicContact CB-CD1 4.34Å; L794-L822 HydrophobicContact CB-CD2 4.48Å
795	C	91.9	Very high	85.2	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.014	24%	0.237	C	C	.	.	H	α-helix	trans	-66.4	-48.1	175.7	-175.2	0	0	0	0	111.4	C791 I792 M793 Q797 A798 C806 A809 L822 F844 L846	C791-C795 PolarHBondContact O-N 3.31Å; I792-C795 PolarHBondContact O-N 3.31Å; M793-C795 PolarHBondContact O-N 3Å; C795-Q797 VanDerWaalsContact C-N 3.3Å; C795-Q797 PolarHBondContact O-N 3.4Å; C795-A798 WeakPolarHBondContact O-CB 3.11Å; C795-A798 PolarHBondContact O-N 3.05Å; C795-A798 VanDerWaalsContact O-N 3.15Å; C795-C806 VanDerWaalsContact CA-SG 3.51Å; C795-C806 HydrophobicContact CB-CB 4.05Å; C795-C806 WeakPolarHBondContact CB-SG 3.32Å; C795-C806 WeakPolarHBondContact O-CB 3.04Å; C795-C806 WeakPolarHBondContact SG-CB 3.49Å; C795-C806 CovalentContact SG-SG 2.04Å; C795-C806 PolarHBondContact SG-SG 3.05Å; C795-A809 HydrophobicContact CB-CB 4.17Å; C795-L822 HydrophobicContact CB-CD2 3.75Å; C795-F844 HydrophobicContact CB-CE2 4.29Å; C795-L846 HydrophobicContact CB-CD1 3.74Å; C795-L846 HydrophobicContact CB-CG 4.41Å; C795-L846 WeakPolarHBondContact SG-CD1 3.02Å
796	A	88	Confident	85.1	Confident	31 Å²	31	44.8 Å²	44.8	26%	0.256	24%	0.24	S	C	.	.	H	α-helix	trans	-61.4	-37.5	179	0	0	0	0	0	112.6	I759 I792 M793 L846	I759-A796 HydrophobicContact CD1-CB 3.62Å; I759-A796 HydrophobicContact CG1-CB 3.99Å; I759-A796 HydrophobicContact CG2-CB 4.48Å; I792-A796 WeakPolarHBondContact O-CB 2.98Å; I792-A796 PolarHBondContact O-N 2.87Å; M793-A796 PolarHBondContact O-N 2.84Å; A796-L846 HydrophobicContact CB-CD1 3.91Å
797	Q	85.7	Confident	85.2	Confident	92 Å²	92	38.2 Å²	38.2	43%	0.43	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	0.4	179	-64.4	-179	-5	0	0	113.9	M793 C795 Y799 E800 S801	M793-Q797 VanDerWaalsContact O-CB 3.3Å; M793-Q797 WeakPolarHBondContact O-CB 3.23Å; M793-Q797 WeakPolarHBondContact O-CG 2.94Å; M793-Q797 PolarHBondContact O-N 3.31Å; C795-Q797 VanDerWaalsContact C-N 3.3Å; C795-Q797 PolarHBondContact O-N 3.4Å; Q797-Y799 VanDerWaalsContact C-N 3.26Å; Q797-Y799 PolarHBondContact O-N 2.04Å; Q797-E800 PolarHBondContact O-N 3.06Å; Q797-E800 VanDerWaalsContact O-N 3.08Å; Q797-S801 WeakPolarHBondContact O-CB 3.38Å; Q797-S801 PolarHBondContact O-N 2.97Å; Q797-S801 PolarHBondContact O-OG 2.9Å
798	A	85.8	Confident	85.4	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-56	-40.5	-179.2	0	0	0	0	0	112.5	L794 C795 E800 S801 T802 G803 F804 C806 L822	L794-A798 PolarHBondContact O-N 2.85Å; C795-A798 WeakPolarHBondContact O-CB 3.11Å; C795-A798 PolarHBondContact O-N 3.05Å; C795-A798 VanDerWaalsContact O-N 3.15Å; A798-E800 VanDerWaalsContact C-N 3.32Å; A798-E800 PolarHBondContact O-N 3.24Å; A798-S801 WeakPolarHBondContact CA-OG 3.33Å; A798-S801 PolarHBondContact O-OG 3.17Å; A798-T802 PolarHBondContact O-N 2.93Å; A798-T802 PolarHBondContact O-OG1 2.93Å; A798-G803 PolarHBondContact O-N 2.86Å; A798-G803 VanDerWaalsContact O-N 3.09Å; A798-F804 CarbonylContact C-O 3.38Å; A798-F804 HydrophobicContact CB-CE1 3.98Å; A798-F804 HydrophobicContact CB-CE2 3.97Å; A798-F804 HydrophobicContact CB-CZ 3.66Å; A798-C806 HydrophobicContact CB-CB 3.81Å; A798-L822 HydrophobicContact CB-CD1 4.38Å
799	Y	79.5	Confident	85.8	Confident	43 Å²	43	34 Å²	34	17%	0.169	19%	0.191	C	C	.	.	H	α-helix	trans	-66.6	-30.8	179.3	-178.3	-95.8	0	0	0	113.5	Q797 G803 F804 R851 F855	Q797-Y799 VanDerWaalsContact C-N 3.26Å; Q797-Y799 PolarHBondContact O-N 2.04Å; Y799-G803 VanDerWaalsContact O-CA 3.32Å; Y799-G803 WeakPolarHBondContact O-CA 3.05Å; Y799-G803 PolarHBondContact O-N 3.46Å; Y799-F804 WeakPolarHBondContact CA-O 3.4Å; Y799-F804 PolarHBondContact N-O 3.36Å; Y799-R851 HydrophobicContact CE1-CB 4.48Å; Y799-F855 WeakPolarHBondContact OH-CB 3.16Å; Y799-F855 WeakPolarHBondContact OH-CD2 3.4Å
800	E	78.3	Confident	86.1	Confident	133 Å²	133	32.1 Å²	32.1	62%	0.621	18%	0.179	S	C	*	.	H	α-helix	trans	-90.3	-31.4	-179.7	-55.1	-154.2	170.1	0	0	112.3	Q797 A798	Q797-E800 PolarHBondContact O-N 3.06Å; Q797-E800 VanDerWaalsContact O-N 3.08Å; A798-E800 VanDerWaalsContact C-N 3.32Å; A798-E800 PolarHBondContact O-N 3.24Å
801	S	74.2	Confident	86.3	Confident	59 Å²	59	30.1 Å²	30.1	41%	0.413	17%	0.169	S	C	.	.	H	α-helix	trans	-82.8	-35.7	179.6	55.4	0	0	0	0	114.3	Q797 A798	Q797-S801 WeakPolarHBondContact O-CB 3.38Å; Q797-S801 PolarHBondContact O-N 2.97Å; Q797-S801 PolarHBondContact O-OG 2.9Å; A798-S801 WeakPolarHBondContact CA-OG 3.33Å; A798-S801 PolarHBondContact O-OG 3.17Å
802	T	73.8	Confident	86.3	Confident	32 Å²	32	30.4 Å²	30.4	20%	0.196	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.3	-43.5	-177.3	67.3	0	0	0	0	112.7	A798 F804 R859	A798-T802 PolarHBondContact O-N 2.93Å; A798-T802 PolarHBondContact O-OG1 2.93Å; T802-F804 WeakPolarHBondContact OG1-CD1 3.07Å; T802-F804 WeakPolarHBondContact OG1-CE1 3.29Å; T802-R859 PolarHBondContact O-NH1 3.2Å; T802-R859 PolarHBondContact O-NH2 3.3Å
803	G	75.2	Confident	86.2	Confident	31 Å²	31	32.8 Å²	32.8	32%	0.32	18%	0.18	S	C	.	.	S	Bend	trans	110.3	1.4	-179.8	0	0	0	0	0	116.1	A798 Y799	A798-G803 PolarHBondContact O-N 2.86Å; A798-G803 VanDerWaalsContact O-N 3.09Å; Y799-G803 VanDerWaalsContact O-CA 3.32Å; Y799-G803 WeakPolarHBondContact O-CA 3.05Å; Y799-G803 PolarHBondContact O-N 3.46Å
804	F	80.2	Confident	86	Confident	23 Å²	23	34 Å²	34	10%	0.101	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-84.7	155.9	164.8	79.8	-91.6	0	0	0	110.5	K780 Q781 A798 Y799 T802 C806 L822 T824	K780-F804 HydrophobicContact CB-CD2 4.2Å; K780-F804 HydrophobicContact CB-CE2 4.15Å; K780-F804 HydrophobicContact CB-CG 4.44Å; K780-F804 HydrophobicContact CB-CZ 4.35Å; K780-F804 HydrophobicContact CG-CB 4.18Å; K780-F804 HydrophobicContact CG-CD1 3.8Å; K780-F804 HydrophobicContact CG-CD2 3.96Å; K780-F804 HydrophobicContact CG-CE1 4.18Å; K780-F804 HydrophobicContact CG-CE2 4.3Å; K780-F804 HydrophobicContact CG-CG 3.72Å; K780-F804 HydrophobicContact CG-CZ 4.41Å; Q781-F804 HydrophobicContact CB-CE1 3.75Å; Q781-F804 HydrophobicContact CB-CZ 3.96Å; A798-F804 CarbonylContact C-O 3.38Å; A798-F804 HydrophobicContact CB-CE1 3.98Å; A798-F804 HydrophobicContact CB-CE2 3.97Å; A798-F804 HydrophobicContact CB-CZ 3.66Å; Y799-F804 WeakPolarHBondContact CA-O 3.4Å; Y799-F804 PolarHBondContact N-O 3.36Å; T802-F804 WeakPolarHBondContact OG1-CD1 3.07Å; T802-F804 WeakPolarHBondContact OG1-CE1 3.29Å; F804-C806 HydrophobicContact CE2-CB 3.87Å; F804-L822 HydrophobicContact CE2-CB 4.23Å; F804-L822 HydrophobicContact CZ-CB 3.75Å; F804-L822 HydrophobicContact CZ-CD1 4.06Å; F804-T824 HydrophobicContact CB-CG2 4.46Å; F804-T824 HydrophobicContact CD2-CG2 3.87Å; F804-T824 HydrophobicContact CG-CG2 4.48Å
805	N	81	Confident	85.9	Confident	68 Å²	68	36.7 Å²	36.7	36%	0.364	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-93.7	117.4	174.7	-166.2	37.2	0	0	0	108.9
806	C	89	Confident	85.5	Confident	13 Å²	13	45.9 Å²	45.9	9%	0.088	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-81.2	121.5	177.4	-172	0	0	0	0	109.4	C795 A798 F804 S808 N823	C795-C806 VanDerWaalsContact CA-SG 3.51Å; C795-C806 HydrophobicContact CB-CB 4.05Å; C795-C806 WeakPolarHBondContact CB-SG 3.32Å; C795-C806 WeakPolarHBondContact O-CB 3.04Å; C795-C806 WeakPolarHBondContact SG-CB 3.49Å; C795-C806 CovalentContact SG-SG 2.04Å; C795-C806 PolarHBondContact SG-SG 3.05Å; A798-C806 HydrophobicContact CB-CB 3.81Å; F804-C806 HydrophobicContact CE2-CB 3.87Å; C806-S808 PolarHBondContact SG-O 2.96Å; C806-S808 VanDerWaalsContact SG-O 3.34Å; C806-N823 WeakPolarHBondContact CA-O 3.49Å
807	A	89.3	Confident	85.4	Confident	23 Å²	23	47.4 Å²	47.4	19%	0.19	25%	0.253	C	S	.	.			trans	-96.8	-43.4	178.9	0	0	0	0	0	111.6	N823 T824 D826 L846	A807-N823 PolarHBondContact N-O 2.85Å; A807-T824 VanDerWaalsContact CB-O 3.27Å; A807-T824 WeakPolarHBondContact CB-O 3.3Å; A807-D826 HydrophobicContact CB-CB 4.37Å; A807-L846 PolarHBondContact O-N 2.8Å
808	S	93.4	Very high	85.6	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	166.1	174.7	71.7	0	0	0	0	111.4	C806 N823 E825 Y843 F844	C806-S808 PolarHBondContact SG-O 2.96Å; C806-S808 VanDerWaalsContact SG-O 3.34Å; S808-N823 WeakPolarHBondContact O-CA 3.1Å; S808-N823 WeakPolarHBondContact O-CB 3.37Å; S808-N823 PolarHBondContact O-N 2.97Å; S808-N823 WeakPolarHBondContact OG-CB 3.49Å; S808-N823 PolarHBondContact OG-ND2 2.95Å; S808-E825 WeakPolarHBondContact CB-O 3.23Å; S808-E825 PolarHBondContact OG-O 3.21Å; S808-Y843 VanDerWaalsContact CB-CE2 3.43Å; S808-Y843 WeakPolarHBondContact CB-OH 3.07Å; S808-Y843 WeakPolarHBondContact OG-CE2 3.43Å; S808-F844 CarbonylContact C-O 3.57Å; S808-F844 WeakPolarHBondContact CA-O 3.35Å; S808-F844 VanDerWaalsContact CB-O 3.25Å; S808-F844 WeakPolarHBondContact CB-O 3.21Å
809	A	95.1	Very high	85.8	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	168.6	172.1	0	0	0	0	0	111.4	C795 I821 L822 Y843 F844	C795-A809 HydrophobicContact CB-CB 4.17Å; A809-I821 CarbonylContact C-O 3.31Å; A809-I821 WeakPolarHBondContact CA-O 3.5Å; A809-I821 WeakPolarHBondContact CB-O 2.94Å; A809-L822 HydrophobicContact CB-CD2 3.7Å; A809-Y843 CarbonylContact O-C 3.6Å; A809-Y843 WeakPolarHBondContact O-CA 3.3Å; A809-F844 HydrophobicContact CB-CD2 4.41Å; A809-F844 HydrophobicContact CB-CE1 3.96Å; A809-F844 HydrophobicContact CB-CE2 3.76Å; A809-F844 HydrophobicContact CB-CZ 3.51Å; A809-F844 PolarHBondContact N-O 3.27Å; A809-F844 PolarHBondContact O-N 2.84Å
810	M	94.5	Very high	86.6	Confident	5 Å²	5	42.5 Å²	42.5	3%	0.025	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	132.8	179.1	-58.7	174.8	-70	0	0	109.6	V774 L775 Y812 C820 I821 V841 V842 Y843	V774-M810 VanDerWaalsContact CA-SD 3.57Å; V774-M810 HydrophobicContact CB-SD 3.75Å; V774-M810 HydrophobicContact CG1-SD 4.11Å; L775-M810 HydrophobicContact CB-SD 4.48Å; L775-M810 PolarHBondContact N-SD 3.17Å; M810-Y812 HydrophobicContact CB-CE2 4.18Å; M810-C820 WeakPolarHBondContact O-CA 3.31Å; M810-I821 HydrophobicContact CB-CB 4.39Å; M810-I821 HydrophobicContact CE-CB 3.95Å; M810-I821 HydrophobicContact CE-CD1 4.17Å; M810-I821 HydrophobicContact CE-CG2 3.66Å; M810-I821 PolarHBondContact N-O 3.13Å; M810-I821 PolarHBondContact O-N 2.92Å; M810-V841 HydrophobicContact CB-CG2 4.12Å; M810-V842 CarbonylContact C-O 3.51Å; M810-V842 WeakPolarHBondContact CA-O 3.42Å; M810-Y843 HydrophobicContact CG-CD2 4.15Å
811	Y	94.4	Very high	87.3	Confident	13 Å²	13	36.2 Å²	36.2	5%	0.051	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	126.2	177.6	-177	-108.5	0	0	0	111.6	A785 Q786 D787 E788 C791 Y813 N819 C820 V841 V842	A785-Y811 HydrophobicContact CB-CD2 4.23Å; A785-Y811 HydrophobicContact CB-CE2 3.83Å; Q786-Y811 PolarHBondContact O-OH 2.9Å; D787-Y811 WeakPolarHBondContact CA-OH 3.49Å; D787-Y811 PolarHBondContact N-OH 2.82Å; E788-Y811 HydrophobicContact CB-CD1 4.27Å; C791-Y811 HydrophobicContact CB-CD2 3.85Å; C791-Y811 HydrophobicContact CB-CG 4.31Å; Y811-Y813 HydrophobicContact CD1-CD1 4.15Å; Y811-Y813 HydrophobicContact CD1-CD2 4.45Å; Y811-Y813 AromaticContact CD1-CE1 3.88Å; Y811-Y813 HydrophobicContact CD1-CE1 3.88Å; Y811-Y813 HydrophobicContact CD1-CE2 4.21Å; Y811-Y813 HydrophobicContact CD1-CG 4.41Å; Y811-Y813 AromaticContact CD1-CZ 3.9Å; Y811-Y813 AromaticContact CE1-CD1 3.69Å; Y811-Y813 HydrophobicContact CE1-CD1 3.69Å; Y811-Y813 AromaticContact CE1-CE1 3.65Å; Y811-Y813 HydrophobicContact CE1-CE1 3.65Å; Y811-Y813 HydrophobicContact CE1-CG 4.23Å; Y811-N819 CarbonylContact C-O 3.48Å; Y811-N819 VanDerWaalsContact CA-O 3.31Å; Y811-N819 WeakPolarHBondContact CA-O 3.32Å; Y811-N819 HydrophobicContact CE2-CB 4.32Å; Y811-N819 WeakPolarHBondContact CE2-ND2 3.32Å; Y811-C820 HydrophobicContact CD2-CB 4.4Å; Y811-V841 CarbonylContact O-C 3.5Å; Y811-V841 VanDerWaalsContact O-CA 3.3Å; Y811-V841 WeakPolarHBondContact O-CA 3.27Å; Y811-V842 PolarHBondContact N-O 2.84Å; Y811-V842 PolarHBondContact O-N 2.69Å
812	Y	92.8	Very high	88.2	Confident	6 Å²	6	33.5 Å²	33.5	2%	0.024	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	108.7	-176.7	-75.2	-101.2	0	0	0	111.8	V774 M810 S814 E815 N819 I821 S839 Q840 V841 R895	V774-Y812 WeakPolarHBondContact CG1-OH 3.13Å; M810-Y812 HydrophobicContact CB-CE2 4.18Å; Y812-S814 VanDerWaalsContact C-N 3.32Å; Y812-S814 PolarHBondContact O-N 2.79Å; Y812-E815 PolarHBondContact O-N 2.78Å; Y812-N819 PolarHBondContact N-O 3.15Å; Y812-I821 HydrophobicContact CD2-CD1 4.29Å; Y812-I821 HydrophobicContact CE2-CD1 3.71Å; Y812-S839 WeakPolarHBondContact CE1-OG 3.41Å; Y812-Q840 CarbonylContact C-O 3.58Å; Y812-V841 HydrophobicContact CD1-CB 3.91Å; Y812-V841 HydrophobicContact CD1-CG2 4.12Å; Y812-V841 HydrophobicContact CD2-CB 4.49Å; Y812-V841 HydrophobicContact CD2-CG2 3.83Å; Y812-V841 HydrophobicContact CE1-CB 3.8Å; Y812-V841 HydrophobicContact CE1-CG2 3.91Å; Y812-V841 HydrophobicContact CE2-CB 4.36Å; Y812-V841 HydrophobicContact CE2-CG2 3.56Å; Y812-V841 HydrophobicContact CG-CB 4.27Å; Y812-V841 HydrophobicContact CG-CG2 4.1Å; Y812-R895 VanDerWaalsContact CE1-NH2 3.28Å; Y812-R895 VanDerWaalsContact CG-NH2 3.31Å
813	Y	89	Confident	89	Confident	50 Å²	50	32 Å²	32	20%	0.196	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-26.1	-177	-69.6	-79.7	0	0	0	114.7	F738 N739 E788 Y811 E815 Q840 V842	F738-Y813 WeakPolarHBondContact CD2-OH 3.34Å; N739-Y813 HydrophobicContact CB-CD2 4.03Å; N739-Y813 HydrophobicContact CB-CE2 4.22Å; E788-Y813 VanDerWaalsContact OE2-CE1 3.26Å; E788-Y813 WeakPolarHBondContact OE2-CE1 3.42Å; E788-Y813 PolarHBondContact OE2-OH 3.02Å; Y811-Y813 HydrophobicContact CD1-CD1 4.15Å; Y811-Y813 HydrophobicContact CD1-CD2 4.45Å; Y811-Y813 AromaticContact CD1-CE1 3.88Å; Y811-Y813 HydrophobicContact CD1-CE1 3.88Å; Y811-Y813 HydrophobicContact CD1-CE2 4.21Å; Y811-Y813 HydrophobicContact CD1-CG 4.41Å; Y811-Y813 AromaticContact CD1-CZ 3.9Å; Y811-Y813 AromaticContact CE1-CD1 3.69Å; Y811-Y813 HydrophobicContact CE1-CD1 3.69Å; Y811-Y813 AromaticContact CE1-CE1 3.65Å; Y811-Y813 HydrophobicContact CE1-CE1 3.65Å; Y811-Y813 HydrophobicContact CE1-CG 4.23Å; Y813-E815 VanDerWaalsContact C-N 3.32Å; Y813-Q840 PolarHBondContact N-O 2.78Å; Y813-V842 HydrophobicContact CE2-CB 4.07Å; Y813-V842 HydrophobicContact CE2-CG1 3.67Å
814	S	85.5	Confident	89.6	Confident	65 Å²	65	32.8 Å²	32.8	46%	0.455	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-25.9	178.5	58.6	0	0	0	0	113.1	Y812	Y812-S814 VanDerWaalsContact C-N 3.32Å; Y812-S814 PolarHBondContact O-N 2.79Å
815	E	86.9	Confident	89.9	Confident	82 Å²	82	34 Å²	34	38%	0.383	18%	0.178	S	C	.	.			trans	-101.5	133	-168	-56.7	-41.3	125	0	0	112.2	Y812 Y813 N819	Y812-E815 PolarHBondContact O-N 2.78Å; Y813-E815 VanDerWaalsContact C-N 3.32Å; E815-N819 HydrophobicContact CB-CB 3.81Å; E815-N819 VanDerWaalsContact O-CB 3.28Å; E815-N819 WeakPolarHBondContact O-CB 3.32Å; E815-N819 PolarHBondContact O-ND2 3.39Å
816	K	84.6	Confident	90.3	Very high	195 Å²	195	32.7 Å²	32.7	85%	0.848	17%	0.171	S	C	*	.	S	Bend	trans	-91.6	-3.5	-179.3	-62.5	-175.6	178.9	-178.1	0	114
817	S	86	Confident	90.3	Very high	63 Å²	63	35.2 Å²	35.2	44%	0.441	18%	0.179	S	C	.	.	S	Bend	trans	-154.1	147.6	-177.3	53.9	0	0	0	0	108.6	N819	S817-N819 PolarHBondContact O-N 2.74Å
818	E	88.7	Confident	90.1	Very high	30 Å²	30	40 Å²	40	14%	0.14	19%	0.192	C	C	.	.	S	Bend	trans	58.3	35.6	175.4	-54.7	173.3	162.7	0	0	110.8	V782 G783 T784 V884 Y886 R895 R901	V782-E818 HydrophobicContact CG1-CB 3.99Å; G783-E818 CarbonylContact O-C 3.53Å; G783-E818 VanDerWaalsContact O-CA 3.3Å; G783-E818 WeakPolarHBondContact O-CA 3.17Å; T784-E818 PolarHBondContact OG1-N 3.31Å; E818-V884 HydrophobicContact CG-CG1 4.02Å; E818-V884 WeakPolarHBondContact OE1-CB 3.24Å; E818-V884 VanDerWaalsContact OE1-CG1 3.31Å; E818-V884 WeakPolarHBondContact OE1-CG1 3.28Å; E818-Y886 WeakPolarHBondContact CB-OH 3.22Å; E818-Y886 PolarHBondContact OE2-OH 2.9Å; E818-R895 WeakPolarHBondContact O-CD 3.5Å; E818-R895 PolarHBondContact O-NH1 3.15Å; E818-R901 VanDerWaalsContact CD-NH2 3.26Å; E818-R901 IonicContact OE1-CZ 2.77Å; E818-R901 IonicContact OE1-NH1 2.79Å; E818-R901 PolarHBondContact OE1-NH1 2.89Å; E818-R901 IonicContact OE1-NH2 3.2Å; E818-R901 PolarHBondContact OE1-NH2 3.05Å; E818-R901 IonicContact OE2-CZ 3.33Å; E818-R901 IonicContact OE2-NH1 2.84Å; E818-R901 IonicContact OE2-NH2 2.98Å; E818-R901 PolarHBondContact OE2-NH2 2.88Å
819	N	91.5	Very high	89.6	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.011	20%	0.203	C	C	.	.			trans	-103.7	-10.4	-169.5	63.2	-8.3	0	0	0	113.1	G783 T784 A785 Y811 Y812 E815 S817	G783-N819 PolarHBondContact O-N 3.47Å; G783-N819 VanDerWaalsContact O-N 3.11Å; T784-N819 WeakPolarHBondContact CA-OD1 3.44Å; A785-N819 PolarHBondContact N-OD1 3.28Å; A785-N819 PolarHBondContact O-ND2 2.79Å; A785-N819 PolarHBondContact O-OD1 2.93Å; Y811-N819 CarbonylContact C-O 3.48Å; Y811-N819 VanDerWaalsContact CA-O 3.31Å; Y811-N819 WeakPolarHBondContact CA-O 3.32Å; Y811-N819 HydrophobicContact CE2-CB 4.32Å; Y811-N819 WeakPolarHBondContact CE2-ND2 3.32Å; Y812-N819 PolarHBondContact N-O 3.15Å; E815-N819 HydrophobicContact CB-CB 3.81Å; E815-N819 VanDerWaalsContact O-CB 3.28Å; E815-N819 WeakPolarHBondContact O-CB 3.32Å; E815-N819 PolarHBondContact O-ND2 3.39Å; S817-N819 PolarHBondContact O-N 2.74Å
820	C	94.5	Very high	89.1	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	116.1	175.3	-178.5	0	0	0	0	109.6	V782 G783 A785 C791 L794 M810 Y811	V782-C820 CarbonylContact C-O 3.59Å; G783-C820 PolarHBondContact N-O 3.17Å; G783-C820 PolarHBondContact O-N 3.45Å; A785-C820 HydrophobicContact CB-CB 3.92Å; C791-C820 WeakPolarHBondContact CA-SG 3.38Å; C791-C820 HydrophobicContact CB-CB 3.82Å; C791-C820 WeakPolarHBondContact CB-SG 3.46Å; C791-C820 VanDerWaalsContact SG-CA 3.6Å; C791-C820 WeakPolarHBondContact SG-CB 3.49Å; C791-C820 CovalentContact SG-SG 2.04Å; C791-C820 PolarHBondContact SG-SG 2.82Å; L794-C820 HydrophobicContact CD1-CB 4.41Å; M810-C820 WeakPolarHBondContact O-CA 3.31Å; Y811-C820 HydrophobicContact CD2-CB 4.4Å
821	I	94	Very high	88.8	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	123.9	-177.8	-56.5	173	0	0	0	108.4	A779 V782 A809 M810 Y812 I894 R895	A779-I821 HydrophobicContact CB-CG2 3.49Å; A779-I821 VanDerWaalsContact CB-CG2 3.49Å; V782-I821 HydrophobicContact CG1-CG1 4.32Å; V782-I821 HydrophobicContact CG2-CG1 4.27Å; V782-I821 HydrophobicContact CG2-CG2 4.34Å; A809-I821 CarbonylContact C-O 3.31Å; A809-I821 WeakPolarHBondContact CA-O 3.5Å; A809-I821 WeakPolarHBondContact CB-O 2.94Å; M810-I821 HydrophobicContact CB-CB 4.39Å; M810-I821 HydrophobicContact CE-CB 3.95Å; M810-I821 HydrophobicContact CE-CD1 4.17Å; M810-I821 HydrophobicContact CE-CG2 3.66Å; M810-I821 PolarHBondContact N-O 3.13Å; M810-I821 PolarHBondContact O-N 2.92Å; Y812-I821 HydrophobicContact CD2-CD1 4.29Å; Y812-I821 HydrophobicContact CE2-CD1 3.71Å; I821-I894 HydrophobicContact CD1-CG2 3.85Å; I821-I894 HydrophobicContact CG1-CG2 4.36Å; I821-I894 HydrophobicContact CG2-CG2 4.13Å; I821-R895 HydrophobicContact CD1-CG 4.42Å
822	L	93.4	Very high	88.2	Confident	3 Å²	3	54.6 Å²	54.6	2%	0.016	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	127.5	-173.7	-52.8	-174.2	0	0	0	110.8	K780 Q781 L794 C795 A798 F804 A809	K780-L822 PolarHBondContact N-O 2.63Å; Q781-L822 HydrophobicContact CB-CB 4.39Å; Q781-L822 HydrophobicContact CB-CD1 4.4Å; Q781-L822 PolarHBondContact N-O 2.74Å; Q781-L822 PolarHBondContact O-N 3.21Å; L794-L822 HydrophobicContact CB-CD1 4.34Å; L794-L822 HydrophobicContact CB-CD2 4.48Å; C795-L822 HydrophobicContact CB-CD2 3.75Å; A798-L822 HydrophobicContact CB-CD1 4.38Å; F804-L822 HydrophobicContact CE2-CB 4.23Å; F804-L822 HydrophobicContact CZ-CB 3.75Å; F804-L822 HydrophobicContact CZ-CD1 4.06Å; A809-L822 HydrophobicContact CB-CD2 3.7Å
823	N	91.1	Very high	87.8	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	148.8	-174.3	-50.5	-42.5	0	0	0	112.3	L775 F778 A779 C806 A807 S808	L775-N823 HydrophobicContact CD2-CB 4.31Å; F778-N823 HydrophobicContact CB-CB 4.5Å; F778-N823 VanDerWaalsContact O-CA 3.25Å; F778-N823 WeakPolarHBondContact O-CA 3.42Å; F778-N823 WeakPolarHBondContact O-CB 3.32Å; A779-N823 WeakPolarHBondContact CA-OD1 3.47Å; C806-N823 WeakPolarHBondContact CA-O 3.49Å; A807-N823 PolarHBondContact N-O 2.85Å; S808-N823 WeakPolarHBondContact O-CA 3.1Å; S808-N823 WeakPolarHBondContact O-CB 3.37Å; S808-N823 PolarHBondContact O-N 2.97Å; S808-N823 WeakPolarHBondContact OG-CB 3.49Å; S808-N823 PolarHBondContact OG-ND2 2.95Å
824	T	87.1	Confident	87.9	Confident	47 Å²	47	56.3 Å²	56.3	29%	0.288	28%	0.282	S	S	.	.	S	Bend	trans	-80.9	-20.7	170.9	47.5	0	0	0	0	113.7	F778 K780 F804 A807	F778-T824 PolarHBondContact O-N 2.79Å; K780-T824 HydrophobicContact CB-CG2 3.79Å; K780-T824 HydrophobicContact CG-CG2 3.91Å; F804-T824 HydrophobicContact CB-CG2 4.46Å; F804-T824 HydrophobicContact CD2-CG2 3.87Å; F804-T824 HydrophobicContact CG-CG2 4.48Å; A807-T824 VanDerWaalsContact CB-O 3.27Å; A807-T824 WeakPolarHBondContact CB-O 3.3Å
825	E	87	Confident	88	Confident	49 Å²	49	55 Å²	55	23%	0.229	27%	0.273	C	S	.	.			trans	-115.3	171.7	-177.4	-56	-51.8	128.4	0	0	111.5	L775 F778 S808 S829 Q830	L775-E825 HydrophobicContact CD2-CB 4.48Å; L775-E825 WeakPolarHBondContact CD2-O 3.32Å; F778-E825 HydrophobicContact CB-CB 4.1Å; F778-E825 HydrophobicContact CB-CG 4.3Å; F778-E825 HydrophobicContact CD1-CB 4Å; F778-E825 HydrophobicContact CD1-CG 3.38Å; F778-E825 HydrophobicContact CE1-CG 3.85Å; F778-E825 HydrophobicContact CG-CB 3.97Å; F778-E825 HydrophobicContact CG-CG 3.89Å; S808-E825 WeakPolarHBondContact CB-O 3.23Å; S808-E825 PolarHBondContact OG-O 3.21Å; E825-S829 WeakPolarHBondContact CB-OG 3.21Å; E825-S829 PolarHBondContact OE2-OG 2.77Å; E825-Q830 HydrophobicContact CB-CG 3.68Å; E825-Q830 HydrophobicContact CG-CG 3.92Å
826	D	88.3	Confident	88	Confident	40 Å²	40	57.6 Å²	57.6	21%	0.214	29%	0.285	C	S	.	.			trans	-134.2	170.2	177.3	66	45.5	0	0	0	111.9	A807 R828 S829 Q830 Y843 E845	A807-D826 HydrophobicContact CB-CB 4.37Å; D826-R828 PolarHBondContact O-N 2.88Å; D826-R828 VanDerWaalsContact O-N 3.1Å; D826-R828 VanDerWaalsContact OD1-CA 3.32Å; D826-R828 WeakPolarHBondContact OD1-CA 3.33Å; D826-R828 VanDerWaalsContact OD1-CB 3.27Å; D826-R828 WeakPolarHBondContact OD1-CB 3.33Å; D826-R828 PolarHBondContact OD1-N 2.89Å; D826-S829 PolarHBondContact N-OG 2.81Å; D826-S829 PolarHBondContact O-N 3.22Å; D826-S829 VanDerWaalsContact O-N 3.12Å; D826-S829 PolarHBondContact O-OG 2.79Å; D826-S829 PolarHBondContact OD1-N 2.73Å; D826-S829 PolarHBondContact OD1-OG 2.83Å; D826-Q830 PolarHBondContact O-N 3.28Å; D826-Y843 WeakPolarHBondContact CA-OH 3.45Å; D826-E845 HydrophobicContact CB-CG 4.27Å
827	R	90.3	Very high	88	Confident	66 Å²	66	49.9 Å²	49.9	25%	0.249	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-18.6	179	76.8	-178.1	168.8	101.4	-10.3	115.5	Y768 P831 Y834 Y843 E845	Y768-R827 VanDerWaalsContact CE2-NH2 3.27Å; R827-P831 VanDerWaalsContact O-CA 3.29Å; R827-P831 WeakPolarHBondContact O-CA 3.43Å; R827-P831 WeakPolarHBondContact O-CB 3.25Å; R827-Y834 HydrophobicContact CB-CD1 3.93Å; R827-Y834 HydrophobicContact CB-CD2 3.48Å; R827-Y834 VanDerWaalsContact CB-CD2 3.48Å; R827-Y834 HydrophobicContact CB-CE1 4.3Å; R827-Y834 HydrophobicContact CB-CE2 3.88Å; R827-Y834 HydrophobicContact CB-CG 3.49Å; R827-Y834 VanDerWaalsContact CB-CG 3.49Å; R827-Y843 PolarHBondContact N-OH 3Å; R827-E845 VanDerWaalsContact CD-OE1 3.32Å; R827-E845 WeakPolarHBondContact CD-OE1 3.22Å; R827-E845 VanDerWaalsContact CG-OE1 3.32Å; R827-E845 WeakPolarHBondContact CG-OE1 3.41Å; R827-E845 IonicContact CZ-OE1 3.95Å; R827-E845 IonicContact NE-OE1 2.69Å; R827-E845 PolarHBondContact NE-OE1 3.22Å; R827-E845 IonicContact NH2-OE1 2.78Å
828	R	84.6	Confident	87.7	Confident	124 Å²	124	54.7 Å²	54.7	47%	0.468	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-37.3	176.9	-57	-174.3	179	-142.6	6.8	110.3	E602 D826	E602-R828 IonicContact OE1-CZ 2.89Å; E602-R828 IonicContact OE1-NH1 3.25Å; E602-R828 PolarHBondContact OE1-NH1 2.84Å; E602-R828 IonicContact OE1-NH2 2.72Å; E602-R828 PolarHBondContact OE1-NH2 3.16Å; D826-R828 PolarHBondContact O-N 2.88Å; D826-R828 VanDerWaalsContact O-N 3.1Å; D826-R828 VanDerWaalsContact OD1-CA 3.32Å; D826-R828 WeakPolarHBondContact OD1-CA 3.33Å; D826-R828 VanDerWaalsContact OD1-CB 3.27Å; D826-R828 WeakPolarHBondContact OD1-CB 3.33Å; D826-R828 PolarHBondContact OD1-N 2.89Å
829	S	82.7	Confident	87.3	Confident	31 Å²	31	54.7 Å²	54.7	22%	0.217	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-32	172.4	57.7	0	0	0	0	113.8	E825 D826	E825-S829 WeakPolarHBondContact CB-OG 3.21Å; E825-S829 PolarHBondContact OE2-OG 2.77Å; D826-S829 PolarHBondContact N-OG 2.81Å; D826-S829 PolarHBondContact O-N 3.22Å; D826-S829 VanDerWaalsContact O-N 3.12Å; D826-S829 PolarHBondContact O-OG 2.79Å; D826-S829 PolarHBondContact OD1-N 2.73Å; D826-S829 PolarHBondContact OD1-OG 2.83Å
830	Q	85.3	Confident	87.1	Confident	62 Å²	62	59.2 Å²	59.2	29%	0.29	30%	0.298	S	S	.	.			trans	-135.1	61.5	-172.9	-62	-61.7	-22.4	0	0	112.2	L775 F778 E825 D826 E832 V833	L775-Q830 HydrophobicContact CD1-CB 4.17Å; F778-Q830 HydrophobicContact CD1-CG 4.43Å; F778-Q830 HydrophobicContact CD2-CB 4.15Å; F778-Q830 HydrophobicContact CD2-CG 3.88Å; F778-Q830 HydrophobicContact CE1-CG 4.09Å; F778-Q830 HydrophobicContact CE2-CB 3.87Å; F778-Q830 HydrophobicContact CE2-CG 3.5Å; F778-Q830 VanDerWaalsContact CE2-CG 3.5Å; F778-Q830 HydrophobicContact CG-CG 4.34Å; F778-Q830 HydrophobicContact CZ-CB 4.44Å; F778-Q830 HydrophobicContact CZ-CG 3.61Å; E825-Q830 HydrophobicContact CB-CG 3.68Å; E825-Q830 HydrophobicContact CG-CG 3.92Å; D826-Q830 PolarHBondContact O-N 3.28Å; Q830-E832 VanDerWaalsContact C-N 3.32Å; Q830-E832 PolarHBondContact O-N 2.82Å; Q830-V833 HydrophobicContact CB-CG2 3.87Å
831	P	87.3	Confident	86.9	Confident	71 Å²	71	59.4 Å²	59.4	46%	0.461	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-69.1	-24.6	-173.9	27.8	-35.6	0	0	0	114.2	R827 V833	R827-P831 VanDerWaalsContact O-CA 3.29Å; R827-P831 WeakPolarHBondContact O-CA 3.43Å; R827-P831 WeakPolarHBondContact O-CB 3.25Å; P831-V833 VanDerWaalsContact C-N 3.32Å; P831-V833 PolarHBondContact O-N 2.69Å
832	E	81.6	Confident	86.8	Confident	160 Å²	160	59.4 Å²	59.4	75%	0.748	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-78	-15.5	-174.3	-64.8	177.8	-162.1	0	0	113.7	Q382 Q830	Q382-E832 PolarHBondContact NE2-OE1 2.87Å; Q830-E832 VanDerWaalsContact C-N 3.32Å; Q830-E832 PolarHBondContact O-N 2.82Å
833	V	85.6	Confident	86.8	Confident	49 Å²	49	59.3 Å²	59.3	30%	0.297	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-114.9	4.6	177.4	-63.8	0	0	0	0	113.3	L775 V776 F778 Q830 P831	L775-V833 HydrophobicContact CD1-CG2 4.02Å; V776-V833 HydrophobicContact CB-CB 4.26Å; V776-V833 PolarHBondContact N-O 2.81Å; F778-V833 HydrophobicContact CD2-CG2 3.9Å; F778-V833 HydrophobicContact CE2-CG2 3.66Å; Q830-V833 HydrophobicContact CB-CG2 3.87Å; P831-V833 VanDerWaalsContact C-N 3.32Å; P831-V833 PolarHBondContact O-N 2.69Å
834	Y	89.3	Confident	86.9	Confident	43 Å²	43	59.3 Å²	59.3	17%	0.169	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	114.9	170.4	179.1	-102.8	0	0	0	108.2	A770 H773 V774 L775 R827 Y843	A770-Y834 WeakPolarHBondContact CB-OH 3.12Å; H773-Y834 HydrophobicContact CB-CE2 4Å; H773-Y834 AromaticContact CD2-CE1 3.29Å; H773-Y834 WeakPolarHBondContact CD2-CE1 3.34Å; H773-Y834 AromaticContact CD2-CZ 3.26Å; H773-Y834 PolarHBondContact CD2-OH 2.81Å; H773-Y834 VanDerWaalsContact CD2-OH 3.27Å; H773-Y834 AromaticContact CG-CZ 3.78Å; H773-Y834 AromaticContact NE2-CE1 3.81Å; V774-Y834 WeakPolarHBondContact O-CA 3.27Å; L775-Y834 HydrophobicContact CD1-CD2 4.3Å; R827-Y834 HydrophobicContact CB-CD1 3.93Å; R827-Y834 HydrophobicContact CB-CD2 3.48Å; R827-Y834 VanDerWaalsContact CB-CD2 3.48Å; R827-Y834 HydrophobicContact CB-CE1 4.3Å; R827-Y834 HydrophobicContact CB-CE2 3.88Å; R827-Y834 HydrophobicContact CB-CG 3.49Å; R827-Y834 VanDerWaalsContact CB-CG 3.49Å; Y834-Y843 HydrophobicContact CD2-CD2 4.49Å; Y834-Y843 HydrophobicContact CD2-CE1 4.5Å; Y834-Y843 HydrophobicContact CD2-CE2 4.34Å; Y834-Y843 AromaticContact CE2-CD1 3.62Å; Y834-Y843 HydrophobicContact CE2-CD1 3.62Å; Y834-Y843 HydrophobicContact CE2-CD2 4.12Å; Y834-Y843 AromaticContact CE2-CE1 3.72Å; Y834-Y843 HydrophobicContact CE2-CE1 3.72Å; Y834-Y843 HydrophobicContact CE2-CE2 4.18Å; Y834-Y843 AromaticContact CE2-CG 3.84Å; Y834-Y843 HydrophobicContact CE2-CG 3.84Å
835	S	88.9	Confident	87.1	Confident	38 Å²	38	57.2 Å²	57.2	27%	0.266	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	153.4	-170.5	65.8	0	0	0	0	112.7	H773 V774	H773-S835 WeakPolarHBondContact CA-O 3.41Å; V774-S835 PolarHBondContact N-O 3.49Å; V774-S835 PolarHBondContact O-N 2.76Å
836	E	86	Confident	86.9	Confident	136 Å²	136	55 Å²	55	64%	0.636	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.5	150.9	169.7	-70	174.5	173.9	0	0	111.4	H772 K892	H772-E836 CarbonylContact O-C 3.58Å; H772-E836 WeakPolarHBondContact O-CA 3.28Å; E836-K892 PolarHBondContact O-NZ 2.82Å
837	D	84.4	Confident	86.3	Confident	33 Å²	33	55.7 Å²	55.7	18%	0.176	28%	0.275	C	S	.	.			trans	-148.8	135	178.4	-161.6	-100.6	0	0	0	111.8	H772 V774 S839 K892	H772-D837 PolarHBondContact O-N 2.79Å; V774-D837 HydrophobicContact CG1-CB 3.85Å; V774-D837 HydrophobicContact CG2-CB 4.11Å; D837-S839 PolarHBondContact O-N 3.25Å; D837-S839 VanDerWaalsContact O-N 3.09Å; D837-S839 VanDerWaalsContact OD1-CB 3.3Å; D837-S839 WeakPolarHBondContact OD1-CB 3.5Å; D837-S839 PolarHBondContact OD1-N 2.87Å; D837-S839 PolarHBondContact OD1-OG 2.72Å; D837-K892 WeakPolarHBondContact OD2-CD 3.05Å; D837-K892 IonicContact OD2-NZ 3.89Å; D837-K892 PolarHBondContact OD2-NZ 2.69Å
838	D	80	Confident	85.4	Confident	165 Å²	165	54.9 Å²	54.9	88%	0.882	28%	0.279	S	S	*	.	S	Bend	trans	-68	-9.1	-174.2	-56.1	-56.5	0	0	0	113.9
839	S	81.2	Confident	84	Confident	30 Å²	30	52.5 Å²	52.5	21%	0.21	29%	0.286	C	S	.	.	S	Bend	trans	-71	159.1	178.9	59.9	0	0	0	0	112.8	H772 Y812 D837 V841	H772-S839 PolarHBondContact ND1-O 2.86Å; Y812-S839 WeakPolarHBondContact CE1-OG 3.41Å; D837-S839 PolarHBondContact O-N 3.25Å; D837-S839 VanDerWaalsContact O-N 3.09Å; D837-S839 VanDerWaalsContact OD1-CB 3.3Å; D837-S839 WeakPolarHBondContact OD1-CB 3.5Å; D837-S839 PolarHBondContact OD1-N 2.87Å; D837-S839 PolarHBondContact OD1-OG 2.72Å; S839-V841 PolarHBondContact O-N 2.85Å; S839-V841 WeakPolarHBondContact OG-CG1 3.31Å
840	Q	85.9	Confident	82.7	Confident	97 Å²	97	54.3 Å²	54.3	45%	0.453	29%	0.29	S	S	.	.	S	Bend	trans	-77.7	72.5	169.9	-66.1	-165.7	-6.2	0	0	110	Y812 Y813	Y812-Q840 CarbonylContact C-O 3.58Å; Y813-Q840 PolarHBondContact N-O 2.78Å
841	V	90.2	Very high	80.9	Confident	3 Å²	3	56.5 Å²	56.5	2%	0.018	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	151.2	177.9	65.1	0	0	0	0	110.7	H772 V774 M810 Y811 Y812 S839	H772-V841 PolarHBondContact N-O 2.9Å; V774-V841 HydrophobicContact CG1-CG1 3.95Å; V774-V841 HydrophobicContact CG1-CG2 4.29Å; M810-V841 HydrophobicContact CB-CG2 4.12Å; Y811-V841 CarbonylContact O-C 3.5Å; Y811-V841 VanDerWaalsContact O-CA 3.3Å; Y811-V841 WeakPolarHBondContact O-CA 3.27Å; Y812-V841 HydrophobicContact CD1-CB 3.91Å; Y812-V841 HydrophobicContact CD1-CG2 4.12Å; Y812-V841 HydrophobicContact CD2-CB 4.49Å; Y812-V841 HydrophobicContact CD2-CG2 3.83Å; Y812-V841 HydrophobicContact CE1-CB 3.8Å; Y812-V841 HydrophobicContact CE1-CG2 3.91Å; Y812-V841 HydrophobicContact CE2-CB 4.36Å; Y812-V841 HydrophobicContact CE2-CG2 3.56Å; Y812-V841 HydrophobicContact CG-CB 4.27Å; Y812-V841 HydrophobicContact CG-CG2 4.1Å; S839-V841 PolarHBondContact O-N 2.85Å; S839-V841 WeakPolarHBondContact OG-CG1 3.31Å
842	V	91.8	Very high	78.9	Confident	1 Å²	1	63.2 Å²	63.2	1%	0.006	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	126.1	162.4	65.7	0	0	0	0	109.9	F738 F769 M810 Y811 Y813	F738-V842 HydrophobicContact CB-CB 4.39Å; F738-V842 HydrophobicContact CB-CG2 4.08Å; F738-V842 HydrophobicContact CD1-CG2 4.39Å; F738-V842 HydrophobicContact CG-CG2 4.24Å; F769-V842 HydrophobicContact CB-CG2 4.33Å; F769-V842 HydrophobicContact CD1-CG2 3.82Å; M810-V842 CarbonylContact C-O 3.51Å; M810-V842 WeakPolarHBondContact CA-O 3.42Å; Y811-V842 PolarHBondContact N-O 2.84Å; Y811-V842 PolarHBondContact O-N 2.69Å; Y813-V842 HydrophobicContact CE2-CB 4.07Å; Y813-V842 HydrophobicContact CE2-CG1 3.67Å
843	Y	94	Very high	76.7	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	144.3	169.9	164.1	-84.5	0	0	0	109.6	Y768 F769 A770 H773 L775 S808 A809 M810 D826 R827 Y834 E845	Y768-Y843 HydrophobicContact CD1-CE1 4.22Å; Y768-Y843 HydrophobicContact CE1-CD1 4.4Å; Y768-Y843 HydrophobicContact CE1-CE1 4.16Å; F769-Y843 CarbonylContact C-O 3.44Å; F769-Y843 WeakPolarHBondContact CA-O 3.12Å; A770-Y843 HydrophobicContact CB-CD1 4.23Å; A770-Y843 PolarHBondContact N-O 2.86Å; A770-Y843 PolarHBondContact O-N 3.1Å; H773-Y843 WeakPolarHBondContact O-CB 3.4Å; L775-Y843 HydrophobicContact CB-CD2 4.17Å; L775-Y843 HydrophobicContact CB-CE2 3.94Å; L775-Y843 HydrophobicContact CD2-CE2 4.29Å; S808-Y843 VanDerWaalsContact CB-CE2 3.43Å; S808-Y843 WeakPolarHBondContact CB-OH 3.07Å; S808-Y843 WeakPolarHBondContact OG-CE2 3.43Å; A809-Y843 CarbonylContact O-C 3.6Å; A809-Y843 WeakPolarHBondContact O-CA 3.3Å; M810-Y843 HydrophobicContact CG-CD2 4.15Å; D826-Y843 WeakPolarHBondContact CA-OH 3.45Å; R827-Y843 PolarHBondContact N-OH 3Å; Y834-Y843 HydrophobicContact CD2-CD2 4.49Å; Y834-Y843 HydrophobicContact CD2-CE1 4.5Å; Y834-Y843 HydrophobicContact CD2-CE2 4.34Å; Y834-Y843 AromaticContact CE2-CD1 3.62Å; Y834-Y843 HydrophobicContact CE2-CD1 3.62Å; Y834-Y843 HydrophobicContact CE2-CD2 4.12Å; Y834-Y843 AromaticContact CE2-CE1 3.72Å; Y834-Y843 HydrophobicContact CE2-CE1 3.72Å; Y834-Y843 HydrophobicContact CE2-CE2 4.18Å; Y834-Y843 AromaticContact CE2-CG 3.84Å; Y834-Y843 HydrophobicContact CE2-CG 3.84Å; Y843-E845 HydrophobicContact CE1-CG 3.88Å; Y843-E845 WeakPolarHBondContact OH-CG 3.17Å
844	F	93.4	Very high	74.2	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	148.8	174.2	62.7	-93.6	0	0	0	115.1	Y768 F769 C791 I792 C795 S808 A809 L846	Y768-F844 CarbonylContact O-C 3.47Å; Y768-F844 WeakPolarHBondContact O-CA 3.23Å; Y768-F844 WeakPolarHBondContact O-CB 3.3Å; F769-F844 HydrophobicContact CD1-CB 3.6Å; F769-F844 HydrophobicContact CD1-CD1 4.49Å; F769-F844 HydrophobicContact CD1-CG 4.35Å; F769-F844 HydrophobicContact CD2-CB 4.23Å; F769-F844 HydrophobicContact CE1-CB 3.58Å; F769-F844 HydrophobicContact CE1-CD1 4.02Å; F769-F844 AromaticContact CE1-CG 3.9Å; F769-F844 HydrophobicContact CE1-CG 3.9Å; F769-F844 HydrophobicContact CE2-CB 4.22Å; F769-F844 HydrophobicContact CG-CB 3.93Å; F769-F844 HydrophobicContact CZ-CB 3.89Å; F769-F844 HydrophobicContact CZ-CG 4.2Å; C791-F844 HydrophobicContact CB-CE1 4.26Å; C791-F844 HydrophobicContact CB-CZ 4.12Å; I792-F844 HydrophobicContact CB-CE2 4.36Å; I792-F844 HydrophobicContact CG1-CD2 4.18Å; I792-F844 HydrophobicContact CG1-CE1 4.45Å; I792-F844 HydrophobicContact CG1-CE2 3.72Å; I792-F844 HydrophobicContact CG1-CZ 3.86Å; C795-F844 HydrophobicContact CB-CE2 4.29Å; S808-F844 CarbonylContact C-O 3.57Å; S808-F844 WeakPolarHBondContact CA-O 3.35Å; S808-F844 VanDerWaalsContact CB-O 3.25Å; S808-F844 WeakPolarHBondContact CB-O 3.21Å; A809-F844 HydrophobicContact CB-CD2 4.41Å; A809-F844 HydrophobicContact CB-CE1 3.96Å; A809-F844 HydrophobicContact CB-CE2 3.76Å; A809-F844 HydrophobicContact CB-CZ 3.51Å; A809-F844 PolarHBondContact N-O 3.27Å; A809-F844 PolarHBondContact O-N 2.84Å; F844-L846 HydrophobicContact CD2-CD2 3.78Å; F844-L846 HydrophobicContact CD2-CG 4.42Å; F844-L846 HydrophobicContact CE2-CD2 3.78Å; F844-L846 HydrophobicContact CE2-CG 4.36Å
845	E	92.4	Very high	71.7	Confident	3 Å²	3	71.9 Å²	71.9	1%	0.014	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	130.9	172.8	-64.8	158.3	-150.9	0	0	110.1	Y768 D826 R827 Y843 R847	Y768-E845 HydrophobicContact CD1-CG 4.16Å; Y768-E845 WeakPolarHBondContact CD1-OE1 3.37Å; Y768-E845 PolarHBondContact N-O 2.87Å; Y768-E845 PolarHBondContact O-N 2.04Å; D826-E845 HydrophobicContact CB-CG 4.27Å; R827-E845 VanDerWaalsContact CD-OE1 3.32Å; R827-E845 WeakPolarHBondContact CD-OE1 3.22Å; R827-E845 VanDerWaalsContact CG-OE1 3.32Å; R827-E845 WeakPolarHBondContact CG-OE1 3.41Å; R827-E845 IonicContact CZ-OE1 3.95Å; R827-E845 IonicContact NE-OE1 2.69Å; R827-E845 PolarHBondContact NE-OE1 3.22Å; R827-E845 IonicContact NH2-OE1 2.78Å; Y843-E845 HydrophobicContact CE1-CG 3.88Å; Y843-E845 WeakPolarHBondContact OH-CG 3.17Å; E845-R847 HydrophobicContact CB-CG 3.97Å; E845-R847 IonicContact OE2-CZ 2.73Å; E845-R847 IonicContact OE2-NE 2.77Å; E845-R847 PolarHBondContact OE2-NE 3Å; E845-R847 IonicContact OE2-NH2 3Å; E845-R847 PolarHBondContact OE2-NH2 2.73Å
846	L	82.1	Confident	69	Low	4 Å²	4	75.7 Å²	75.7	2%	0.021	38%	0.375	C	S	.	.			trans	-84.2	-21.4	177.1	-60.4	-172.1	0	0	0	114.4	L767 I792 C795 A796 A807 F844 C848	L767-L846 HydrophobicContact CD2-CB 4.43Å; L767-L846 HydrophobicContact CD2-CD2 4.12Å; L767-L846 WeakPolarHBondContact CD2-O 3.29Å; I792-L846 HydrophobicContact CG1-CD2 4.45Å; I792-L846 HydrophobicContact CG2-CD2 3.9Å; C795-L846 HydrophobicContact CB-CD1 3.74Å; C795-L846 HydrophobicContact CB-CG 4.41Å; C795-L846 WeakPolarHBondContact SG-CD1 3.02Å; A796-L846 HydrophobicContact CB-CD1 3.91Å; A807-L846 PolarHBondContact O-N 2.8Å; F844-L846 HydrophobicContact CD2-CD2 3.78Å; F844-L846 HydrophobicContact CD2-CG 4.42Å; F844-L846 HydrophobicContact CE2-CD2 3.78Å; F844-L846 HydrophobicContact CE2-CG 4.36Å; L846-C848 WeakPolarHBondContact CB-SG 3.43Å; L846-C848 PolarHBondContact O-N 2.91Å; L846-C848 PolarHBondContact O-SG 2.89Å
847	R	74.4	Confident	66.5	Low	54 Å²	54	78.6 Å²	78.6	20%	0.204	39%	0.386	C	S	.	.			trans	49.6	31.2	176.9	-59	-171.5	175.8	162.9	-0.3	115.4	E675 N765 N766 Y768 E845	E675-R847 IonicContact OE1-NH1 3.25Å; E675-R847 PolarHBondContact OE1-NH1 3.48Å; N765-R847 HydrophobicContact CB-CB 3.92Å; N765-R847 PolarHBondContact ND2-O 2.82Å; N766-R847 WeakPolarHBondContact O-CD 3.47Å; Y768-R847 VanDerWaalsContact CB-CZ 3.42Å; Y768-R847 VanDerWaalsContact CB-NH2 3.25Å; E845-R847 HydrophobicContact CB-CG 3.97Å; E845-R847 IonicContact OE2-CZ 2.73Å; E845-R847 IonicContact OE2-NE 2.77Å; E845-R847 PolarHBondContact OE2-NE 3Å; E845-R847 IonicContact OE2-NH2 3Å; E845-R847 PolarHBondContact OE2-NH2 2.73Å
848	C	71.7	Confident	64.1	Low	49 Å²	49	80.2 Å²	80.2	33%	0.331	40%	0.4	S	S	.	.			trans	-81.9	155.1	-173.4	-46.3	0	0	0	0	114.8	D762 C763 L846	D762-C848 CarbonylContact O-C 3.58Å; D762-C848 WeakPolarHBondContact O-CA 3.02Å; D762-C848 WeakPolarHBondContact O-CB 3.46Å; C763-C848 HydrophobicContact CB-CB 3.92Å; C763-C848 WeakPolarHBondContact CB-SG 3.24Å; C763-C848 WeakPolarHBondContact SG-CB 3.05Å; C763-C848 CovalentContact SG-SG 2.03Å; C763-C848 PolarHBondContact SG-SG 2.86Å; L846-C848 WeakPolarHBondContact CB-SG 3.43Å; L846-C848 PolarHBondContact O-N 2.91Å; L846-C848 PolarHBondContact O-SG 2.89Å
849	A	55.5	Low	61.9	Low	74 Å²	74	81 Å²	81	61%	0.612	39%	0.39	S	S	*	.			trans	-83.9	-6	178.8	0	0	0	0	0	114.2	D762 R851	D762-A849 PolarHBondContact O-N 2.81Å; A849-R851 PolarHBondContact O-N 3.23Å
850	K	55.5	Low	59.6	Low	68 Å²	68	89 Å²	89	30%	0.296	42%	0.422	S	S	.	.	S	Bend	trans	-72	101.1	-171.7	-111.2	-172.3	-174.5	154.1	0	113.7	D762	D762-K850 HydrophobicContact CB-CD 4.37Å; D762-K850 HydrophobicContact CB-CG 4.43Å; D762-K850 VanDerWaalsContact CG-CD 3.41Å; D762-K850 VanDerWaalsContact CG-NZ 3.31Å; D762-K850 VanDerWaalsContact OD1-CD 3.25Å; D762-K850 WeakPolarHBondContact OD1-CD 3.39Å; D762-K850 WeakPolarHBondContact OD1-CE 3.38Å; D762-K850 WeakPolarHBondContact OD1-CG 3.49Å; D762-K850 IonicContact OD1-NZ 2.77Å; D762-K850 PolarHBondContact OD1-NZ 3.31Å; D762-K850 VanDerWaalsContact OD2-CD 3.23Å; D762-K850 WeakPolarHBondContact OD2-CD 3.48Å; D762-K850 WeakPolarHBondContact OD2-CE 3.27Å; D762-K850 IonicContact OD2-NZ 3.17Å; D762-K850 PolarHBondContact OD2-NZ 2.88Å
851	R	48.5	Very low	57.2	Low	108 Å²	108	92.8 Å²	92.8	41%	0.408	44%	0.442	S	S	.	.			trans	66	56.2	146.4	-56.8	-174	-178.6	-172.1	10.1	119.9	Y799 A849 M853	Y799-R851 HydrophobicContact CE1-CB 4.48Å; A849-R851 PolarHBondContact O-N 3.23Å; R851-M853 PolarHBondContact O-N 2.98Å
852	R	45.5	Very low	54.5	Low	213 Å²	213	102.2 Å²	102.2	80%	0.804	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-8.5	158.4	-132.8	175	-171.5	170.1	4.9	114.5
853	M	33.6	Very low	51.5	Low	181 Å²	181	109.9 Å²	109.9	89%	0.892	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-150.8	55.2	-175.2	-65.2	-171.9	173.4	0	0	116.8	R851	R851-M853 PolarHBondContact O-N 2.98Å
854	K	33.9	Very low	48.6	Very low	143 Å²	143	114.1 Å²	114.1	62%	0.622	55%	0.553	S	S	*	*	S	Bend	trans	-135	16.3	171.1	-84.9	-162.2	175.3	178.3	0	118.1
855	F	36	Very low	45.7	Very low	110 Å²	110	120.3 Å²	120.3	48%	0.482	59%	0.593	S	S	.	*			trans	-132.8	39.9	177.4	-113.6	-103.4	0	0	0	115.4	Y799 K857 S858	Y799-F855 WeakPolarHBondContact OH-CB 3.16Å; Y799-F855 WeakPolarHBondContact OH-CD2 3.4Å; F855-K857 VanDerWaalsContact C-N 3.25Å; F855-K857 PolarHBondContact O-N 3.28Å; F855-S858 WeakPolarHBondContact CD1-OG 3.45Å; F855-S858 WeakPolarHBondContact CE1-OG 3.15Å; F855-S858 WeakPolarHBondContact CZ-OG 3.33Å
856	S	33.3	Very low	43.4	Very low	117 Å²	117	124.3 Å²	124.3	82%	0.818	62%	0.618	S	S	*	*	S	Bend	trans	-83	11.2	169.9	55.4	0	0	0	0	114.5
857	K	33.4	Very low	41.9	Very low	197 Å²	197	127.7 Å²	127.7	86%	0.857	64%	0.636	S	S	*	*	S	Bend	trans	-135.6	11	-170.7	-73.3	-166.8	172.6	-176.4	0	116.6	F855	F855-K857 VanDerWaalsContact C-N 3.25Å; F855-K857 PolarHBondContact O-N 3.28Å
858	S	34.5	Very low	41.2	Very low	67 Å²	67	132 Å²	132	47%	0.469	66%	0.663	S	S	.	*	S	Bend	trans	-154.2	27	-171.8	39	0	0	0	0	116.7	F855	F855-S858 WeakPolarHBondContact CD1-OG 3.45Å; F855-S858 WeakPolarHBondContact CE1-OG 3.15Å; F855-S858 WeakPolarHBondContact CZ-OG 3.33Å
859	R	33.7	Very low	41.6	Very low	181 Å²	181	133.2 Å²	133.2	68%	0.683	67%	0.666	S	S	*	*			trans	-135.6	44.6	155.8	-70.4	-163	-163.1	176.8	7.4	112.3	T802	T802-R859 PolarHBondContact O-NH1 3.2Å; T802-R859 PolarHBondContact O-NH2 3.3Å
860	F	33.2	Very low	43.1	Very low	198 Å²	198	131.1 Å²	131.1	87%	0.868	64%	0.643	S	S	*	*			trans	-67.6	147.5	138.4	-101.1	-100.2	0	0	0	107
861	M	33.8	Very low	44.5	Very low	178 Å²	178	128 Å²	128	88%	0.877	63%	0.629	S	S	*	*	S	Bend	trans	60.7	82.8	-170.5	-60.8	-179.2	157.3	0	0	114.8
862	K	34.1	Very low	46.3	Very low	201 Å²	201	125.6 Å²	125.6	87%	0.874	62%	0.623	S	S	*	*				-164.2	109.6	97.3	-164.2	164	-169.9	170.2	0	111.1	S864	K862-S864 PolarHBondContact O-N 2.93Å
863	D	28.8	Very low	48.2	Very low	161 Å²	161	117.8 Å²	117.8	86%	0.861	59%	0.593	S	S	*	*			trans	-68	123.9	179.9	-53.2	-91.4	0	0	0	111.6
864	S	33.3	Very low	50.7	Low	89 Å²	89	109.6 Å²	109.6	62%	0.622	55%	0.554	S	S	*	*			trans	-153.9	132	155	-172.5	0	0	0	0	105.8	K862 V866	K862-S864 PolarHBondContact O-N 2.93Å; S864-V866 PolarHBondContact O-N 3.4Å
865	P	33.6	Very low	52.8	Low	130 Å²	130	105.8 Å²	105.8	84%	0.844	54%	0.54	S	S	*	.			trans	-64.2	108	169.6	25.9	-30	0	0	0	107.3	D867	P865-D867 PolarHBondContact O-N 3.4Å
866	V	42.9	Very low	54.7	Low	87 Å²	87	103.2 Å²	103.2	53%	0.527	54%	0.535	S	S	.	.			trans	-80.7	114.8	172	-179.9	0	0	0	0	106	S864 D868	S864-V866 PolarHBondContact O-N 3.4Å; V866-D868 PolarHBondContact O-N 3.31Å
867	D	51.6	Low	56.4	Low	76 Å²	76	102.9 Å²	102.9	41%	0.406	52%	0.519	S	S	.	.			trans	-38.9	98.1	164.3	-82.7	-48.4	0	0	0	111.4	P865 D869 W870 R885	P865-D867 PolarHBondContact O-N 3.4Å; D867-D869 PolarHBondContact O-N 3.13Å; D867-W870 HydrophobicContact CB-CB 3.95Å; D867-W870 HydrophobicContact CB-CG 3.98Å; D867-W870 PolarHBondContact O-N 3.15Å; D867-R885 IonicContact OD2-CZ 2.71Å; D867-R885 IonicContact OD2-NH1 2.67Å; D867-R885 PolarHBondContact OD2-NH1 2.92Å; D867-R885 IonicContact OD2-NH2 3.07Å; D867-R885 PolarHBondContact OD2-NH2 3.2Å
868	D	59.6	Low	58.1	Low	145 Å²	145	95.4 Å²	95.4	78%	0.775	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-29.9	176.2	-84.1	-36.6	0	0	0	111.5	V866 W870 Q888	V866-D868 PolarHBondContact O-N 3.31Å; D868-W870 PolarHBondContact O-N 2.83Å; D868-Q888 PolarHBondContact O-NE2 2.92Å
869	D	80.4	Confident	59.5	Low	74 Å²	74	96.2 Å²	96.2	40%	0.396	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-11.9	174.3	-90.3	47.2	0	0	0	115	D867 R887 Q888	D867-D869 PolarHBondContact O-N 3.13Å; D869-R887 HydrophobicContact CB-CG 4.16Å; D869-R887 CarbonylContact O-C 3.48Å; D869-R887 VanDerWaalsContact O-CA 3.32Å; D869-R887 WeakPolarHBondContact O-CA 3.13Å; D869-R887 WeakPolarHBondContact O-CG 2.98Å; D869-R887 IonicContact OD2-CZ 3.59Å; D869-R887 IonicContact OD2-NE 2.69Å; D869-R887 PolarHBondContact OD2-NE 2.84Å; D869-R887 IonicContact OD2-NH2 3.77Å; D869-R887 PolarHBondContact OD2-NH2 3.34Å; D869-Q888 PolarHBondContact O-N 3.37Å
870	W	85.5	Confident	61.3	Low	30 Å²	30	94 Å²	94	11%	0.114	50%	0.497	C	S	.	.	B	Isolated β-bridge	trans	-125.7	150	-168.6	-68.8	72.1	0	0	0	114.1	D867 D868 R885 Y886 R887 P898 Q900	D867-W870 HydrophobicContact CB-CB 3.95Å; D867-W870 HydrophobicContact CB-CG 3.98Å; D867-W870 PolarHBondContact O-N 3.15Å; D868-W870 PolarHBondContact O-N 2.83Å; W870-R885 HydrophobicContact CE3-CG 3.8Å; W870-R885 HydrophobicContact CZ3-CG 4.33Å; W870-Y886 CarbonylContact C-O 3.56Å; W870-Y886 WeakPolarHBondContact CA-O 3.49Å; W870-R887 HydrophobicContact CD2-CB 3.91Å; W870-R887 HydrophobicContact CD2-CG 4.2Å; W870-R887 HydrophobicContact CE3-CB 4.06Å; W870-R887 HydrophobicContact CG-CB 4.48Å; W870-R887 HydrophobicContact CG-CG 4.4Å; W870-R887 HydrophobicContact CH2-CB 3.98Å; W870-R887 HydrophobicContact CZ2-CB 3.88Å; W870-R887 HydrophobicContact CZ2-CG 4.16Å; W870-R887 HydrophobicContact CZ3-CB 4.08Å; W870-P898 WeakPolarHBondContact CZ3-O 3.26Å; W870-Q900 HydrophobicContact CE3-CG 4.48Å; W870-Q900 HydrophobicContact CH2-CB 4.46Å; W870-Q900 HydrophobicContact CH2-CG 3.57Å; W870-Q900 HydrophobicContact CZ2-CG 4.41Å; W870-Q900 HydrophobicContact CZ3-CB 4Å; W870-Q900 HydrophobicContact CZ3-CG 3.6Å
871	T	86.4	Confident	63.3	Low	3 Å²	3	87.1 Å²	87.1	2%	0.018	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-65.3	158.7	168.4	74.9	0	0	0	0	110.7	K780 R885 Y886 I894	K780-T871 WeakPolarHBondContact O-CA 3.46Å; K780-T871 WeakPolarHBondContact O-CB 3.41Å; T871-R885 WeakPolarHBondContact O-CB 3.45Å; T871-R885 WeakPolarHBondContact OG1-CA 3.45Å; T871-R885 WeakPolarHBondContact OG1-CB 3.29Å; T871-Y886 PolarHBondContact N-O 2.9Å; T871-Y886 PolarHBondContact OG1-N 2.83Å; T871-I894 HydrophobicContact CG2-CG1 4.16Å
872	E	85.1	Confident	65.7	Low	57 Å²	57	83.9 Å²	83.9	27%	0.266	45%	0.452	S	S	.	.	B	Isolated β-bridge	trans	-60.5	158.9	161.3	-61.5	-55.4	150.3	0	0	110.6	K780 Q781	K780-E872 HydrophobicContact CD-CG 4.34Å; K780-E872 VanDerWaalsContact CE-OE1 3.22Å; K780-E872 WeakPolarHBondContact CE-OE1 3.22Å; K780-E872 HydrophobicContact CG-CG 4.49Å; K780-E872 IonicContact NZ-OE1 3.82Å; K780-E872 PolarHBondContact NZ-OE1 2.93Å; K780-E872 PolarHBondContact O-N 3.02Å; Q781-E872 HydrophobicContact CB-CB 4.26Å; Q781-E872 HydrophobicContact CG-CB 4.15Å
873	W	85.5	Confident	68.1	Low	48 Å²	48	75.4 Å²	75.4	18%	0.182	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-71.8	137.8	174.5	-69.7	88.9	0	0	0	110.8	Q781 Q883 V884 R885 Q900 R902	Q781-W873 PolarHBondContact NE2-O 2.95Å; W873-Q883 HydrophobicContact CB-CB 4.33Å; W873-Q883 HydrophobicContact CE3-CB 3.74Å; W873-Q883 HydrophobicContact CZ3-CB 4.5Å; W873-Q883 WeakPolarHBondContact CZ3-O 3.16Å; W873-V884 CarbonylContact C-O 3.57Å; W873-V884 WeakPolarHBondContact CA-O 3.41Å; W873-R885 HydrophobicContact CD2-CB 4.13Å; W873-R885 HydrophobicContact CD2-CG 3.92Å; W873-R885 HydrophobicContact CE3-CB 4.17Å; W873-R885 HydrophobicContact CE3-CG 4Å; W873-R885 HydrophobicContact CG-CB 4.49Å; W873-R885 HydrophobicContact CH2-CG 3.91Å; W873-R885 HydrophobicContact CZ2-CG 3.79Å; W873-R885 HydrophobicContact CZ3-CG 3.99Å; W873-Q900 HydrophobicContact CH2-CB 3.88Å; W873-Q900 HydrophobicContact CZ3-CB 4.47Å; W873-Q900 WeakPolarHBondContact CZ3-O 3.24Å; W873-R902 HydrophobicContact CD2-CG 4.47Å; W873-R902 VanDerWaalsContact CD2-CZ 3.46Å; W873-R902 HydrophobicContact CE3-CG 3.83Å; W873-R902 VanDerWaalsContact CG-CZ 3.49Å; W873-R902 HydrophobicContact CH2-CB 4.11Å; W873-R902 HydrophobicContact CH2-CG 3.9Å; W873-R902 HydrophobicContact CZ3-CB 4.02Å; W873-R902 HydrophobicContact CZ3-CG 3.52Å
874	S	85.7	Confident	71	Confident	10 Å²	10	67.8 Å²	67.8	7%	0.07	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-58.4	149.9	175.6	71.4	0	0	0	0	112.3	V782 Q883 V884	V782-S874 VanDerWaalsContact O-CA 3.26Å; V782-S874 WeakPolarHBondContact O-CA 3.49Å; V782-S874 WeakPolarHBondContact O-CB 3.22Å; S874-Q883 WeakPolarHBondContact O-CG 3.26Å; S874-Q883 PolarHBondContact O-NE2 3.3Å; S874-Q883 VanDerWaalsContact OG-CA 3.29Å; S874-Q883 WeakPolarHBondContact OG-CA 3.43Å; S874-V884 PolarHBondContact N-O 3.45Å; S874-V884 PolarHBondContact OG-N 3.35Å
875	N	78.5	Confident	73.7	Confident	63 Å²	63	65 Å²	65	34%	0.337	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-65.6	148.4	175.2	-65.3	-17.5	0	0	0	111	Q781	Q781-N875 PolarHBondContact NE2-OD1 2.81Å
876	C	75.1	Confident	76.4	Confident	56 Å²	56	58.9 Å²	58.9	38%	0.378	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-89.1	135.9	172.3	-63.4	0	0	0	0	109.7	Q883 C904	C876-Q883 VanDerWaalsContact SG-CD 3.53Å; C876-Q883 WeakPolarHBondContact SG-CG 3.19Å; C876-C904 HydrophobicContact CB-CB 4.03Å; C876-C904 WeakPolarHBondContact CB-SG 3.45Å; C876-C904 WeakPolarHBondContact SG-CB 3.23Å; C876-C904 CovalentContact SG-SG 2.03Å; C876-C904 PolarHBondContact SG-SG 2.78Å
877	K	70.9	Confident	78.6	Confident	109 Å²	109	60.1 Å²	60.1	47%	0.474	31%	0.306	S	S	.	.	S	Bend	trans	-96.7	-34.3	167	-61.9	-167.5	-176.9	-172.3	0	111.3	T784 E790 D881	T784-K877 WeakPolarHBondContact O-CE 3.49Å; T784-K877 PolarHBondContact O-NZ 2.79Å; E790-K877 WeakPolarHBondContact OE1-CE 3.42Å; E790-K877 IonicContact OE1-NZ 3.21Å; E790-K877 PolarHBondContact OE1-NZ 2.04Å; E790-K877 IonicContact OE2-NZ 3.96Å; E790-K877 PolarHBondContact OE2-NZ 2.86Å; K877-D881 WeakPolarHBondContact CA-OD2 3.42Å; K877-D881 WeakPolarHBondContact CB-OD2 3.48Å; K877-D881 PolarHBondContact N-OD2 2.83Å
878	S	67.5	Low	80.1	Confident	40 Å²	40	60.5 Å²	60.5	28%	0.28	31%	0.306	S	S	.	.	S	Bend	trans	-125.7	165	172.9	92.9	0	0	0	0	112.8	D880 D881	S878-D880 VanDerWaalsContact C-N 3.28Å; S878-D880 PolarHBondContact O-N 3.19Å; S878-D880 PolarHBondContact OG-N 2.79Å; S878-D880 VanDerWaalsContact OG-N 3.17Å; S878-D881 WeakPolarHBondContact CB-OD1 3.43Å; S878-D881 VanDerWaalsContact N-CG 3.34Å; S878-D881 PolarHBondContact N-OD2 3.02Å; S878-D881 VanDerWaalsContact OG-CG 3.24Å; S878-D881 PolarHBondContact OG-N 3.24Å; S878-D881 PolarHBondContact OG-OD1 3.18Å
879	P	64.9	Low	81.2	Confident	85 Å²	85	55.7 Å²	55.7	55%	0.552	28%	0.283	S	S	*	.	S	Bend	trans	-66.9	-25.1	172.1	-19.7	33.7	0	0	0	114.2	I906	P879-I906 HydrophobicContact CB-CG1 4.43Å
880	D	71.6	Confident	81.1	Confident	134 Å²	134	60.4 Å²	60.4	72%	0.717	31%	0.308	S	S	*	.	S	Bend	trans	-88.4	-11.6	-177.2	-70.2	-63.1	0	0	0	113.3	S878	S878-D880 VanDerWaalsContact C-N 3.28Å; S878-D880 PolarHBondContact O-N 3.19Å; S878-D880 PolarHBondContact OG-N 2.79Å; S878-D880 VanDerWaalsContact OG-N 3.17Å
881	D	75.6	Confident	80.9	Confident	53 Å²	53	63.4 Å²	63.4	28%	0.283	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-58.9	161.5	177.8	-68.9	0.6	0	0	0	112.6	K877 S878 C904	K877-D881 WeakPolarHBondContact CA-OD2 3.42Å; K877-D881 WeakPolarHBondContact CB-OD2 3.48Å; K877-D881 PolarHBondContact N-OD2 2.83Å; S878-D881 WeakPolarHBondContact CB-OD1 3.43Å; S878-D881 VanDerWaalsContact N-CG 3.34Å; S878-D881 PolarHBondContact N-OD2 3.02Å; S878-D881 VanDerWaalsContact OG-CG 3.24Å; S878-D881 PolarHBondContact OG-N 3.24Å; S878-D881 PolarHBondContact OG-OD1 3.18Å; D881-C904 PolarHBondContact O-N 2.79Å; D881-C904 PolarHBondContact O-SG 2.65Å
882	Q	82.3	Confident	80.7	Confident	110 Å²	110	67.8 Å²	67.8	51%	0.514	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	133.2	164	-62	-173.2	11.9	0	0	110.3	R902	Q882-R902 CarbonylContact C-O 3.5Å; Q882-R902 VanDerWaalsContact CA-O 3.22Å; Q882-R902 WeakPolarHBondContact CA-O 3.3Å
883	Q	86	Confident	80.7	Confident	23 Å²	23	66.6 Å²	66.6	11%	0.107	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	139.8	161.4	-54.7	-174.2	-79.1	0	0	109.4	W873 S874 C876 R901 R902 C904	W873-Q883 HydrophobicContact CB-CB 4.33Å; W873-Q883 HydrophobicContact CE3-CB 3.74Å; W873-Q883 HydrophobicContact CZ3-CB 4.5Å; W873-Q883 WeakPolarHBondContact CZ3-O 3.16Å; S874-Q883 WeakPolarHBondContact O-CG 3.26Å; S874-Q883 PolarHBondContact O-NE2 3.3Å; S874-Q883 VanDerWaalsContact OG-CA 3.29Å; S874-Q883 WeakPolarHBondContact OG-CA 3.43Å; C876-Q883 VanDerWaalsContact SG-CD 3.53Å; C876-Q883 WeakPolarHBondContact SG-CG 3.19Å; Q883-R901 CarbonylContact O-C 3.53Å; Q883-R901 WeakPolarHBondContact O-CA 3.48Å; Q883-R902 HydrophobicContact CB-CG 4.1Å; Q883-R902 PolarHBondContact N-O 3.39Å; Q883-R902 PolarHBondContact O-N 2.04Å; Q883-R902 VanDerWaalsContact OE1-CZ 3.23Å; Q883-C904 VanDerWaalsContact CG-SG 3.58Å
884	V	88.7	Confident	80.7	Confident	2 Å²	2	64.9 Å²	64.9	1%	0.012	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	153	170.8	69.9	0	0	0	0	110.6	E818 W873 S874 Y886 Q900 R901	E818-V884 HydrophobicContact CG-CG1 4.02Å; E818-V884 WeakPolarHBondContact OE1-CB 3.24Å; E818-V884 VanDerWaalsContact OE1-CG1 3.31Å; E818-V884 WeakPolarHBondContact OE1-CG1 3.28Å; W873-V884 CarbonylContact C-O 3.57Å; W873-V884 WeakPolarHBondContact CA-O 3.41Å; S874-V884 PolarHBondContact N-O 3.45Å; S874-V884 PolarHBondContact OG-N 3.35Å; V884-Y886 HydrophobicContact CB-CE2 4.37Å; V884-Y886 HydrophobicContact CG1-CE2 3.75Å; V884-Y886 HydrophobicContact CG2-CD2 4.33Å; V884-Y886 HydrophobicContact CG2-CE1 4.32Å; V884-Y886 HydrophobicContact CG2-CE2 3.67Å; V884-Q900 CarbonylContact C-O 3.54Å; V884-Q900 WeakPolarHBondContact CA-O 3.38Å; V884-R901 HydrophobicContact CG2-CG 4.17Å
885	R	90.1	Very high	80.8	Confident	29 Å²	29	66.9 Å²	66.9	11%	0.109	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	156.1	156.3	66.2	166.7	-175.1	159.5	5.7	110.4	D867 W870 T871 W873 S899 Q900	D867-R885 IonicContact OD2-CZ 2.71Å; D867-R885 IonicContact OD2-NH1 2.67Å; D867-R885 PolarHBondContact OD2-NH1 2.92Å; D867-R885 IonicContact OD2-NH2 3.07Å; D867-R885 PolarHBondContact OD2-NH2 3.2Å; W870-R885 HydrophobicContact CE3-CG 3.8Å; W870-R885 HydrophobicContact CZ3-CG 4.33Å; T871-R885 WeakPolarHBondContact O-CB 3.45Å; T871-R885 WeakPolarHBondContact OG1-CA 3.45Å; T871-R885 WeakPolarHBondContact OG1-CB 3.29Å; W873-R885 HydrophobicContact CD2-CB 4.13Å; W873-R885 HydrophobicContact CD2-CG 3.92Å; W873-R885 HydrophobicContact CE3-CB 4.17Å; W873-R885 HydrophobicContact CE3-CG 4Å; W873-R885 HydrophobicContact CG-CB 4.49Å; W873-R885 HydrophobicContact CH2-CG 3.91Å; W873-R885 HydrophobicContact CZ2-CG 3.79Å; W873-R885 HydrophobicContact CZ3-CG 3.99Å; R885-S899 CarbonylContact O-C 3.46Å; R885-S899 VanDerWaalsContact O-CA 3.29Å; R885-S899 WeakPolarHBondContact O-CA 3.25Å; R885-S899 WeakPolarHBondContact O-CB 3.49Å; R885-Q900 HydrophobicContact CG-CB 4.07Å; R885-Q900 PolarHBondContact N-O 3.17Å; R885-Q900 PolarHBondContact O-N 3.21Å
886	Y	91.3	Very high	81.3	Confident	3 Å²	3	68.9 Å²	68.9	1%	0.012	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	153.7	-179.7	-58	-97.1	0	0	0	110.2	V782 E818 W870 T871 V884 I894 R895	V782-Y886 HydrophobicContact CB-CD2 4.03Å; V782-Y886 HydrophobicContact CB-CE2 3.67Å; V782-Y886 HydrophobicContact CG1-CE2 3.79Å; V782-Y886 HydrophobicContact CG2-CD2 3.63Å; V782-Y886 HydrophobicContact CG2-CE2 3.68Å; E818-Y886 WeakPolarHBondContact CB-OH 3.22Å; E818-Y886 PolarHBondContact OE2-OH 2.9Å; W870-Y886 CarbonylContact C-O 3.56Å; W870-Y886 WeakPolarHBondContact CA-O 3.49Å; T871-Y886 PolarHBondContact N-O 2.9Å; T871-Y886 PolarHBondContact OG1-N 2.83Å; V884-Y886 HydrophobicContact CB-CE2 4.37Å; V884-Y886 HydrophobicContact CG1-CE2 3.75Å; V884-Y886 HydrophobicContact CG2-CD2 4.33Å; V884-Y886 HydrophobicContact CG2-CE1 4.32Å; V884-Y886 HydrophobicContact CG2-CE2 3.67Å; Y886-I894 VanDerWaalsContact CD1-O 3.32Å; Y886-I894 WeakPolarHBondContact CD1-O 3.49Å; Y886-I894 HydrophobicContact CG-CG1 4.37Å; Y886-R895 HydrophobicContact CE1-CB 4.04Å; Y886-R895 HydrophobicContact CE1-CG 4.16Å
887	R	89.3	Confident	82	Confident	113 Å²	113	66.5 Å²	66.5	43%	0.426	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-85.7	138.1	167.3	-162.2	-179	-179.7	-169.6	-1.5	108.7	D869 W870 C897 P898	D869-R887 HydrophobicContact CB-CG 4.16Å; D869-R887 CarbonylContact O-C 3.48Å; D869-R887 VanDerWaalsContact O-CA 3.32Å; D869-R887 WeakPolarHBondContact O-CA 3.13Å; D869-R887 WeakPolarHBondContact O-CG 2.98Å; D869-R887 IonicContact OD2-CZ 3.59Å; D869-R887 IonicContact OD2-NE 2.69Å; D869-R887 PolarHBondContact OD2-NE 2.84Å; D869-R887 IonicContact OD2-NH2 3.77Å; D869-R887 PolarHBondContact OD2-NH2 3.34Å; W870-R887 HydrophobicContact CD2-CB 3.91Å; W870-R887 HydrophobicContact CD2-CG 4.2Å; W870-R887 HydrophobicContact CE3-CB 4.06Å; W870-R887 HydrophobicContact CG-CB 4.48Å; W870-R887 HydrophobicContact CG-CG 4.4Å; W870-R887 HydrophobicContact CH2-CB 3.98Å; W870-R887 HydrophobicContact CZ2-CB 3.88Å; W870-R887 HydrophobicContact CZ2-CG 4.16Å; W870-R887 HydrophobicContact CZ3-CB 4.08Å; R887-C897 WeakPolarHBondContact O-CB 3.01Å; R887-P898 HydrophobicContact CB-CB 4.47Å; R887-P898 PolarHBondContact N-O 2.62Å
888	Q	82.6	Confident	82.9	Confident	84 Å²	84	65 Å²	65	39%	0.393	33%	0.332	S	S	.	.			trans	-61.4	135.5	170.3	-65.7	167.5	36.1	0	0	109.5	D868 D869	D868-Q888 PolarHBondContact O-NE2 2.92Å; D869-Q888 PolarHBondContact O-N 3.37Å
889	C	83.1	Confident	84	Confident	44 Å²	44	65.9 Å²	65.9	30%	0.297	34%	0.338	S	S	.	.			trans	-159.4	168.7	178.3	87.4	0	0	0	0	111.1	K891 C897	C889-K891 PolarHBondContact O-N 3.3Å; C889-K891 WeakPolarHBondContact SG-CG 3.25Å; C889-C897 HydrophobicContact CB-CB 3.93Å; C889-C897 WeakPolarHBondContact CB-SG 3.23Å; C889-C897 VanDerWaalsContact SG-CA 3.54Å; C889-C897 WeakPolarHBondContact SG-CB 3.43Å; C889-C897 CovalentContact SG-SG 2.04Å; C889-C897 PolarHBondContact SG-SG 2.94Å
890	D	77.5	Confident	85.3	Confident	173 Å²	173	65.3 Å²	65.3	93%	0.925	33%	0.328	S	S	*	.	S	Bend	trans	-73.5	31.2	-173.2	-44.1	-55.3	0	0	0	114.9
891	K	82.3	Confident	86.1	Confident	93 Å²	93	64.8 Å²	64.8	40%	0.404	32%	0.316	S	S	.	.			trans	-98.2	141.1	178	-70.9	-73.4	-160.1	149.4	0	110	V776 C889 D893 D896	V776-K891 WeakPolarHBondContact CG1-O 3.42Å; C889-K891 PolarHBondContact O-N 3.3Å; C889-K891 WeakPolarHBondContact SG-CG 3.25Å; K891-D893 VanDerWaalsContact C-N 3.3Å; K891-D893 WeakPolarHBondContact CB-O 3.06Å; K891-D893 PolarHBondContact O-N 3.09Å; K891-D896 HydrophobicContact CB-CB 3.96Å; K891-D896 HydrophobicContact CD-CB 3.95Å; K891-D896 WeakPolarHBondContact CE-OD2 3.39Å; K891-D896 HydrophobicContact CG-CB 3.89Å; K891-D896 IonicContact NZ-OD2 2.65Å; K891-D896 PolarHBondContact NZ-OD2 2.81Å
892	K	81.6	Confident	86.6	Confident	94 Å²	94	66.3 Å²	66.3	41%	0.409	32%	0.318	S	S	.	.	S	Bend	trans	-52.3	-51.1	172.6	-89.8	-157.1	175.2	-168.6	0	111.3	V774 V776 E836 D837	V774-K892 HydrophobicContact CG2-CD 4.45Å; V776-K892 HydrophobicContact CG2-CB 4.35Å; V776-K892 HydrophobicContact CG2-CG 4.12Å; E836-K892 PolarHBondContact O-NZ 2.82Å; D837-K892 WeakPolarHBondContact OD2-CD 3.05Å; D837-K892 IonicContact OD2-NZ 3.89Å; D837-K892 PolarHBondContact OD2-NZ 2.69Å
893	D	84.9	Confident	86.7	Confident	32 Å²	32	68.3 Å²	68.3	17%	0.171	33%	0.325	C	S	.	.	S	Bend	trans	-96	125.3	175.7	-169.9	-20.8	0	0	0	109.7	K891 R895 D896	K891-D893 VanDerWaalsContact C-N 3.3Å; K891-D893 WeakPolarHBondContact CB-O 3.06Å; K891-D893 PolarHBondContact O-N 3.09Å; D893-R895 VanDerWaalsContact CG-NE 3.34Å; D893-R895 PolarHBondContact O-N 2.82Å; D893-R895 VanDerWaalsContact O-N 3.16Å; D893-R895 VanDerWaalsContact OD1-CB 3.23Å; D893-R895 WeakPolarHBondContact OD1-CB 3.33Å; D893-R895 WeakPolarHBondContact OD1-CG 3.2Å; D893-R895 IonicContact OD1-CZ 3.77Å; D893-R895 PolarHBondContact OD1-N 3.12Å; D893-R895 IonicContact OD1-NE 2.66Å; D893-R895 PolarHBondContact OD1-NE 2.74Å; D893-R895 IonicContact OD2-CZ 2.72Å; D893-R895 IonicContact OD2-NE 2.85Å; D893-R895 PolarHBondContact OD2-NE 2.85Å; D893-R895 IonicContact OD2-NH2 2.75Å; D893-R895 PolarHBondContact OD2-NH2 3.45Å; D893-D896 WeakPolarHBondContact O-CB 3.43Å; D893-D896 PolarHBondContact O-N 2.87Å
894	I	86.2	Confident	86.3	Confident	13 Å²	13	67.7 Å²	67.7	7%	0.067	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-60.8	-21.6	175.9	-166.9	61.6	0	0	0	112.4	A779 V782 I821 T871 Y886 D896 C897	A779-I894 HydrophobicContact CB-CB 4.03Å; A779-I894 HydrophobicContact CB-CG1 4Å; A779-I894 HydrophobicContact CB-CG2 4.07Å; V782-I894 HydrophobicContact CG2-CG2 3.78Å; I821-I894 HydrophobicContact CD1-CG2 3.85Å; I821-I894 HydrophobicContact CG1-CG2 4.36Å; I821-I894 HydrophobicContact CG2-CG2 4.13Å; T871-I894 HydrophobicContact CG2-CG1 4.16Å; Y886-I894 VanDerWaalsContact CD1-O 3.32Å; Y886-I894 WeakPolarHBondContact CD1-O 3.49Å; Y886-I894 HydrophobicContact CG-CG1 4.37Å; I894-D896 VanDerWaalsContact C-N 3.28Å; I894-D896 PolarHBondContact O-N 2.71Å; I894-C897 HydrophobicContact CD1-CB 4.44Å; I894-C897 VanDerWaalsContact O-CB 3.23Å; I894-C897 WeakPolarHBondContact O-CB 3.39Å; I894-C897 PolarHBondContact O-N 3.2Å; I894-C897 VanDerWaalsContact O-N 3.11Å
895	R	86.6	Confident	85.1	Confident	52 Å²	52	75.2 Å²	75.2	20%	0.196	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-76.2	-19.5	-177.5	-56.9	172.6	-57.8	176.3	5.4	112.9	Y812 E818 I821 Y886 D893	Y812-R895 VanDerWaalsContact CE1-NH2 3.28Å; Y812-R895 VanDerWaalsContact CG-NH2 3.31Å; E818-R895 WeakPolarHBondContact O-CD 3.5Å; E818-R895 PolarHBondContact O-NH1 3.15Å; I821-R895 HydrophobicContact CD1-CG 4.42Å; Y886-R895 HydrophobicContact CE1-CB 4.04Å; Y886-R895 HydrophobicContact CE1-CG 4.16Å; D893-R895 VanDerWaalsContact CG-NE 3.34Å; D893-R895 PolarHBondContact O-N 2.82Å; D893-R895 VanDerWaalsContact O-N 3.16Å; D893-R895 VanDerWaalsContact OD1-CB 3.23Å; D893-R895 WeakPolarHBondContact OD1-CB 3.33Å; D893-R895 WeakPolarHBondContact OD1-CG 3.2Å; D893-R895 IonicContact OD1-CZ 3.77Å; D893-R895 PolarHBondContact OD1-N 3.12Å; D893-R895 IonicContact OD1-NE 2.66Å; D893-R895 PolarHBondContact OD1-NE 2.74Å; D893-R895 IonicContact OD2-CZ 2.72Å; D893-R895 IonicContact OD2-NE 2.85Å; D893-R895 PolarHBondContact OD2-NE 2.85Å; D893-R895 IonicContact OD2-NH2 2.75Å; D893-R895 PolarHBondContact OD2-NH2 3.45Å
896	D	88.7	Confident	83.2	Confident	104 Å²	104	80.6 Å²	80.6	56%	0.556	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-75.9	-11.5	169.5	-117.2	28	0	0	0	112.4	K891 D893 I894	K891-D896 HydrophobicContact CB-CB 3.96Å; K891-D896 HydrophobicContact CD-CB 3.95Å; K891-D896 WeakPolarHBondContact CE-OD2 3.39Å; K891-D896 HydrophobicContact CG-CB 3.89Å; K891-D896 IonicContact NZ-OD2 2.65Å; K891-D896 PolarHBondContact NZ-OD2 2.81Å; D893-D896 WeakPolarHBondContact O-CB 3.43Å; D893-D896 PolarHBondContact O-N 2.87Å; I894-D896 VanDerWaalsContact C-N 3.28Å; I894-D896 PolarHBondContact O-N 2.71Å
897	C	89.7	Confident	80.8	Confident	6 Å²	6	85.8 Å²	85.8	4%	0.041	42%	0.417	C	S	.	.	S	Bend	trans	-85.5	160.3	177.2	-61.2	0	0	0	0	112.7	R887 C889 I894 S899	R887-C897 WeakPolarHBondContact O-CB 3.01Å; C889-C897 HydrophobicContact CB-CB 3.93Å; C889-C897 WeakPolarHBondContact CB-SG 3.23Å; C889-C897 VanDerWaalsContact SG-CA 3.54Å; C889-C897 WeakPolarHBondContact SG-CB 3.43Å; C889-C897 CovalentContact SG-SG 2.04Å; C889-C897 PolarHBondContact SG-SG 2.94Å; I894-C897 HydrophobicContact CD1-CB 4.44Å; I894-C897 VanDerWaalsContact O-CB 3.23Å; I894-C897 WeakPolarHBondContact O-CB 3.39Å; I894-C897 PolarHBondContact O-N 3.2Å; I894-C897 VanDerWaalsContact O-N 3.11Å; C897-S899 PolarHBondContact O-N 2.91Å
898	P	90.9	Very high	78	Confident	78 Å²	78	85.2 Å²	85.2	51%	0.506	44%	0.436	S	S	.	.			trans	-56.6	128.3	179.2	-25.5	35.3	0	0	0	112.6	W870 R887	W870-P898 WeakPolarHBondContact CZ3-O 3.26Å; R887-P898 HydrophobicContact CB-CB 4.47Å; R887-P898 PolarHBondContact N-O 2.62Å
899	S	90.4	Very high	75.6	Confident	58 Å²	58	85.7 Å²	85.7	41%	0.406	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	159.5	-175.8	58.7	0	0	0	0	113.7	R885 C897	R885-S899 CarbonylContact O-C 3.46Å; R885-S899 VanDerWaalsContact O-CA 3.29Å; R885-S899 WeakPolarHBondContact O-CA 3.25Å; R885-S899 WeakPolarHBondContact O-CB 3.49Å; C897-S899 PolarHBondContact O-N 2.91Å
900	Q	91.3	Very high	73.1	Confident	74 Å²	74	86.5 Å²	86.5	35%	0.346	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	138.6	171.1	-75.4	174.8	7.1	0	0	109.1	W870 W873 V884 R885	W870-Q900 HydrophobicContact CE3-CG 4.48Å; W870-Q900 HydrophobicContact CH2-CB 4.46Å; W870-Q900 HydrophobicContact CH2-CG 3.57Å; W870-Q900 HydrophobicContact CZ2-CG 4.41Å; W870-Q900 HydrophobicContact CZ3-CB 4Å; W870-Q900 HydrophobicContact CZ3-CG 3.6Å; W873-Q900 HydrophobicContact CH2-CB 3.88Å; W873-Q900 HydrophobicContact CZ3-CB 4.47Å; W873-Q900 WeakPolarHBondContact CZ3-O 3.24Å; V884-Q900 CarbonylContact C-O 3.54Å; V884-Q900 WeakPolarHBondContact CA-O 3.38Å; R885-Q900 HydrophobicContact CG-CB 4.07Å; R885-Q900 PolarHBondContact N-O 3.17Å; R885-Q900 PolarHBondContact O-N 3.21Å
901	R	90.1	Very high	71	Confident	123 Å²	123	87.3 Å²	87.3	46%	0.464	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	142.8	177.1	-64.6	175.8	-179.6	-75.5	-10.4	110	E818 Q883 V884	E818-R901 VanDerWaalsContact CD-NH2 3.26Å; E818-R901 IonicContact OE1-CZ 2.77Å; E818-R901 IonicContact OE1-NH1 2.79Å; E818-R901 PolarHBondContact OE1-NH1 2.89Å; E818-R901 IonicContact OE1-NH2 3.2Å; E818-R901 PolarHBondContact OE1-NH2 3.05Å; E818-R901 IonicContact OE2-CZ 3.33Å; E818-R901 IonicContact OE2-NH1 2.84Å; E818-R901 IonicContact OE2-NH2 2.98Å; E818-R901 PolarHBondContact OE2-NH2 2.88Å; Q883-R901 CarbonylContact O-C 3.53Å; Q883-R901 WeakPolarHBondContact O-CA 3.48Å; V884-R901 HydrophobicContact CG2-CG 4.17Å
902	R	85.8	Confident	68.8	Low	84 Å²	84	88 Å²	88	32%	0.317	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	150	172.1	72	-176	-171.4	-156.9	-3	110	W873 Q882 Q883	W873-R902 HydrophobicContact CD2-CG 4.47Å; W873-R902 VanDerWaalsContact CD2-CZ 3.46Å; W873-R902 HydrophobicContact CE3-CG 3.83Å; W873-R902 VanDerWaalsContact CG-CZ 3.49Å; W873-R902 HydrophobicContact CH2-CB 4.11Å; W873-R902 HydrophobicContact CH2-CG 3.9Å; W873-R902 HydrophobicContact CZ3-CB 4.02Å; W873-R902 HydrophobicContact CZ3-CG 3.52Å; Q882-R902 CarbonylContact C-O 3.5Å; Q882-R902 VanDerWaalsContact CA-O 3.22Å; Q882-R902 WeakPolarHBondContact CA-O 3.3Å; Q883-R902 HydrophobicContact CB-CG 4.1Å; Q883-R902 PolarHBondContact N-O 3.39Å; Q883-R902 PolarHBondContact O-N 2.04Å; Q883-R902 VanDerWaalsContact OE1-CZ 3.23Å
903	K	83	Confident	66.6	Low	153 Å²	153	91.8 Å²	91.8	67%	0.665	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.8	144.9	166.1	-69.3	-162.3	173	-157.8	0	110.4	K905	K903-K905 PolarHBondContact O-N 2.83Å
904	C	77.9	Confident	64.4	Low	10 Å²	10	96.7 Å²	96.7	7%	0.068	51%	0.509	C	S	.	.	P	Polyproline II helix	trans	-53.6	126.6	170.2	-78.2	0	0	0	0	110.4	C876 D881 Q883 I906	C876-C904 HydrophobicContact CB-CB 4.03Å; C876-C904 WeakPolarHBondContact CB-SG 3.45Å; C876-C904 WeakPolarHBondContact SG-CB 3.23Å; C876-C904 CovalentContact SG-SG 2.03Å; C876-C904 PolarHBondContact SG-SG 2.78Å; D881-C904 PolarHBondContact O-N 2.79Å; D881-C904 PolarHBondContact O-SG 2.65Å; Q883-C904 VanDerWaalsContact CG-SG 3.58Å; C904-I906 PolarHBondContact O-N 2.88Å
905	K	64.1	Low	62.1	Low	159 Å²	159	104.3 Å²	104.3	69%	0.691	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-76.4	117.5	174.8	-75.1	-170.7	175	-175	0	107.9	K903 V907	K903-K905 PolarHBondContact O-N 2.83Å; K905-V907 PolarHBondContact O-N 2.89Å
906	I	50.7	Low	59.9	Low	142 Å²	142	103.7 Å²	103.7	73%	0.728	54%	0.543	S	S	*	.			trans	-60.2	101	168.5	-57.2	175.2	0	0	0	107.6	P879 C904 A908	P879-I906 HydrophobicContact CB-CG1 4.43Å; C904-I906 PolarHBondContact O-N 2.88Å; I906-A908 PolarHBondContact O-N 3.25Å; I906-A908 VanDerWaalsContact O-N 3.14Å
907	V	39.4	Very low	57.7	Low	113 Å²	113	104.2 Å²	104.2	69%	0.685	54%	0.54	S	S	*	.			trans	-78.5	97.3	171	-176.9	0	0	0	0	106.7	K905 S909	K905-V907 PolarHBondContact O-N 2.89Å; V907-S909 PolarHBondContact O-N 2.03Å
908	A	31.1	Very low	55.7	Low	100 Å²	100	106.6 Å²	106.6	83%	0.826	56%	0.557	S	S	*	*			trans	-72.2	50.2	172.8	0	0	0	0	0	112	I906 G910	I906-A908 PolarHBondContact O-N 3.25Å; I906-A908 VanDerWaalsContact O-N 3.14Å; A908-G910 PolarHBondContact O-N 3.01Å
909	S	32.3	Very low	53.5	Low	94 Å²	94	111 Å²	111	66%	0.657	56%	0.564	S	S	*	*			trans	-81.1	103.1	163.2	55.6	0	0	0	0	107.6	V907	V907-S909 PolarHBondContact O-N 2.03Å
910	G	32	Very low	51.5	Low	62 Å²	62	114.5 Å²	114.5	64%	0.639	58%	0.575	S	S	*	*			trans	-60.5	169	-170.9	0	0	0	0	0	115.4	A908 N912	A908-G910 PolarHBondContact O-N 3.01Å; G910-N912 VanDerWaalsContact C-N 3.26Å; G910-N912 PolarHBondContact O-N 2.98Å
911	E	32.2	Very low	49.4	Very low	190 Å²	190	118.6 Å²	118.6	89%	0.888	59%	0.592	S	S	*	*	S	Bend	trans	-64.3	69	-173	-60.1	158.5	112	0	0	113.6
912	N	35.8	Very low	47.4	Very low	108 Å²	108	117.3 Å²	117.3	58%	0.578	59%	0.594	S	S	*	*			trans	-144	-2.4	-178.2	-103.7	-52.1	0	0	0	115.9	G910 W915 A916	G910-N912 VanDerWaalsContact C-N 3.26Å; G910-N912 PolarHBondContact O-N 2.98Å; N912-W915 PolarHBondContact O-N 2.84Å; N912-W915 WeakPolarHBondContact OD1-CB 3.36Å; N912-A916 VanDerWaalsContact O-CB 3.24Å; N912-A916 WeakPolarHBondContact O-CB 3.34Å; N912-A916 PolarHBondContact O-N 2.78Å
913	W	36.6	Very low	45.6	Very low	173 Å²	173	115.9 Å²	115.9	66%	0.655	60%	0.596	S	S	*	*	H	α-helix	trans	-62.3	-45.1	177	154	-116.1	0	0	0	113.3	A916 K917	W913-A916 PolarHBondContact O-N 3.22Å; W913-K917 HydrophobicContact CE3-CD 4.49Å; W913-K917 HydrophobicContact CH2-CD 4.12Å; W913-K917 HydrophobicContact CZ2-CD 4.1Å; W913-K917 HydrophobicContact CZ3-CD 4.28Å; W913-K917 HydrophobicContact CZ3-CG 4.43Å; W913-K917 PolarHBondContact O-N 2.81Å; W913-K917 VanDerWaalsContact O-N 3.07Å
914	L	37.3	Very low	43.9	Very low	134 Å²	134	118.7 Å²	118.7	70%	0.702	60%	0.602	S	S	*	*	H	α-helix	trans	-68.6	-41.1	177.4	-72.5	165.1	0	0	0	111.4	K917 S918	L914-K917 PolarHBondContact O-N 2.98Å; L914-S918 PolarHBondContact O-N 2.88Å
915	W	38.6	Very low	42.6	Very low	173 Å²	173	127.5 Å²	127.5	66%	0.655	64%	0.635	S	S	*	*	H	α-helix	trans	-61.2	-43.7	171.9	-76.3	104.4	0	0	0	111.8	N912 K917 S918 W919	N912-W915 PolarHBondContact O-N 2.84Å; N912-W915 WeakPolarHBondContact OD1-CB 3.36Å; W915-K917 PolarHBondContact O-N 2.91Å; W915-S918 CarbonylContact O-C 3.57Å; W915-S918 WeakPolarHBondContact O-CB 3.45Å; W915-S918 PolarHBondContact O-N 3.44Å; W915-S918 VanDerWaalsContact O-N 3.11Å; W915-W919 WeakPolarHBondContact O-CB 3.33Å; W915-W919 PolarHBondContact O-N 3.18Å
916	A	40.2	Very low	41.8	Very low	40 Å²	40	124.5 Å²	124.5	33%	0.331	63%	0.633	S	S	.	*	H	α-helix	trans	-62.7	-40.3	177.8	0	0	0	0	0	113	N912 W913 S918 M920	N912-A916 VanDerWaalsContact O-CB 3.24Å; N912-A916 WeakPolarHBondContact O-CB 3.34Å; N912-A916 PolarHBondContact O-N 2.78Å; W913-A916 PolarHBondContact O-N 3.22Å; A916-S918 VanDerWaalsContact C-N 3.35Å; A916-M920 HydrophobicContact CB-CE 4.23Å; A916-M920 WeakPolarHBondContact O-CB 3.39Å; A916-M920 WeakPolarHBondContact O-CE 3.4Å; A916-M920 WeakPolarHBondContact O-CG 3.48Å; A916-M920 PolarHBondContact O-N 2.63Å
917	K	43.6	Very low	41.4	Very low	115 Å²	115	126.8 Å²	126.8	50%	0.5	64%	0.638	S	S	.	*	H	α-helix	trans	-64.1	-38	171.5	-90.8	-178.7	167.1	175.9	0	112.3	W913 L914 W915 K921	W913-K917 HydrophobicContact CE3-CD 4.49Å; W913-K917 HydrophobicContact CH2-CD 4.12Å; W913-K917 HydrophobicContact CZ2-CD 4.1Å; W913-K917 HydrophobicContact CZ3-CD 4.28Å; W913-K917 HydrophobicContact CZ3-CG 4.43Å; W913-K917 PolarHBondContact O-N 2.81Å; W913-K917 VanDerWaalsContact O-N 3.07Å; L914-K917 PolarHBondContact O-N 2.98Å; W915-K917 PolarHBondContact O-N 2.91Å; K917-K921 PolarHBondContact O-N 3.39Å
918	S	47.6	Very low	41.1	Very low	56 Å²	56	128.8 Å²	128.8	39%	0.392	66%	0.657	S	S	.	*	H	α-helix	trans	-70.2	-45.3	176.5	-163.2	0	0	0	0	112.1	L914 W915 A916 M920 K921 L922	L914-S918 PolarHBondContact O-N 2.88Å; W915-S918 CarbonylContact O-C 3.57Å; W915-S918 WeakPolarHBondContact O-CB 3.45Å; W915-S918 PolarHBondContact O-N 3.44Å; W915-S918 VanDerWaalsContact O-N 3.11Å; A916-S918 VanDerWaalsContact C-N 3.35Å; S918-M920 PolarHBondContact O-N 3.1Å; S918-K921 WeakPolarHBondContact O-CB 3.05Å; S918-K921 PolarHBondContact O-N 2.84Å; S918-K921 VanDerWaalsContact O-N 3.09Å; S918-L922 PolarHBondContact O-N 3.44Å
919	W	44.5	Very low	41.6	Very low	171 Å²	171	130.3 Å²	130.3	65%	0.648	65%	0.649	S	S	*	*	H	α-helix	trans	-63.9	-38.8	176.3	-120.4	66.4	0	0	0	112.1	W915 K921 L922 C923	W915-W919 WeakPolarHBondContact O-CB 3.33Å; W915-W919 PolarHBondContact O-N 3.18Å; W919-K921 VanDerWaalsContact C-N 3.29Å; W919-K921 PolarHBondContact O-N 2.93Å; W919-L922 PolarHBondContact O-N 2.91Å; W919-C923 VanDerWaalsContact CE3-SG 3.56Å; W919-C923 WeakPolarHBondContact O-CB 3.5Å; W919-C923 PolarHBondContact O-N 2.76Å; W919-C923 PolarHBondContact O-SG 2.91Å
920	M	47	Very low	42.1	Very low	130 Å²	130	132.2 Å²	132.2	64%	0.64	65%	0.649	S	S	*	*	H	α-helix	trans	-68.1	-24.5	173	-78.8	-174.2	-90.7	0	0	113.7	A916 S918	A916-M920 HydrophobicContact CB-CE 4.23Å; A916-M920 WeakPolarHBondContact O-CB 3.39Å; A916-M920 WeakPolarHBondContact O-CE 3.4Å; A916-M920 WeakPolarHBondContact O-CG 3.48Å; A916-M920 PolarHBondContact O-N 2.63Å; S918-M920 PolarHBondContact O-N 3.1Å
921	K	47.8	Very low	42.7	Very low	161 Å²	161	136.1 Å²	136.1	70%	0.7	65%	0.649	S	S	*	*	H	α-helix	trans	-75	-43	166.8	-79.8	-173.3	173.1	-175.9	0	111.7	K917 S918 W919 R924 Y925	K917-K921 PolarHBondContact O-N 3.39Å; S918-K921 WeakPolarHBondContact O-CB 3.05Å; S918-K921 PolarHBondContact O-N 2.84Å; S918-K921 VanDerWaalsContact O-N 3.09Å; W919-K921 VanDerWaalsContact C-N 3.29Å; W919-K921 PolarHBondContact O-N 2.93Å; K921-R924 PolarHBondContact O-N 2.92Å; K921-Y925 PolarHBondContact O-N 3.29Å
922	L	48.2	Very low	43.3	Very low	96 Å²	96	132.9 Å²	132.9	50%	0.503	64%	0.635	S	S	.	*	H	α-helix	trans	-66.2	-43.3	178.8	-84.4	157.6	0	0	0	113	S918 W919 R924 Y925 C926	S918-L922 PolarHBondContact O-N 3.44Å; W919-L922 PolarHBondContact O-N 2.91Å; L922-R924 PolarHBondContact O-N 3.44Å; L922-Y925 CarbonylContact O-C 3.58Å; L922-Y925 VanDerWaalsContact O-C 3.31Å; L922-Y925 VanDerWaalsContact O-CA 3.31Å; L922-Y925 WeakPolarHBondContact O-CA 3.4Å; L922-Y925 WeakPolarHBondContact O-CB 3.41Å; L922-Y925 PolarHBondContact O-N 3.03Å; L922-C926 PolarHBondContact O-N 3.42Å; L922-C926 PolarHBondContact O-SG 2.81Å
923	C	48.8	Very low	43.8	Very low	53 Å²	53	134.4 Å²	134.4	36%	0.358	64%	0.639	S	S	.	*	H	α-helix	trans	-63.5	-28.7	175.8	-67.5	0	0	0	0	112.7	W919 Y925 C926 F927	W919-C923 VanDerWaalsContact CE3-SG 3.56Å; W919-C923 WeakPolarHBondContact O-CB 3.5Å; W919-C923 PolarHBondContact O-N 2.76Å; W919-C923 PolarHBondContact O-SG 2.91Å; C923-Y925 PolarHBondContact O-N 2.92Å; C923-C926 PolarHBondContact O-N 3.23Å; C923-F927 PolarHBondContact O-N 2.93Å
924	R	46	Very low	44.2	Very low	212 Å²	212	131.9 Å²	131.9	80%	0.8	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-16.5	169.2	-85.5	-170.6	171.9	-160.1	-2.1	114	K921 L922	K921-R924 PolarHBondContact O-N 2.92Å; L922-R924 PolarHBondContact O-N 3.44Å
925	Y	50.3	Low	44.7	Very low	195 Å²	195	131.7 Å²	131.7	77%	0.765	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.8	13.4	172.8	-96.6	-79.4	0	0	0	113	K921 L922 C923	K921-Y925 PolarHBondContact O-N 3.29Å; L922-Y925 CarbonylContact O-C 3.58Å; L922-Y925 VanDerWaalsContact O-C 3.31Å; L922-Y925 VanDerWaalsContact O-CA 3.31Å; L922-Y925 WeakPolarHBondContact O-CA 3.4Å; L922-Y925 WeakPolarHBondContact O-CB 3.41Å; L922-Y925 PolarHBondContact O-N 3.03Å; C923-Y925 PolarHBondContact O-N 2.92Å
926	C	47.7	Very low	45.2	Very low	96 Å²	96	128.5 Å²	128.5	65%	0.649	63%	0.631	S	S	*	*	S	Bend	trans	-130.2	6.2	173.1	-62.8	0	0	0	0	112.9	L922 C923	L922-C926 PolarHBondContact O-N 3.42Å; L922-C926 PolarHBondContact O-SG 2.81Å; C923-C926 PolarHBondContact O-N 3.23Å
927	F	42.3	Very low	45.6	Very low	191 Å²	191	135.9 Å²	135.9	84%	0.838	66%	0.656	S	S	*	*			trans	-125.8	19	171.7	-92.3	-85.8	0	0	0	111.9	C923	C923-F927 PolarHBondContact O-N 2.93Å
928	S	33.6	Very low	45.8	Very low	155 Å²	155	137.8 Å²	137.8	100%	1.084	67%	0.67	S	S	*	*			trans	-156	0	165	-67.7	0	0	0	0	107.4

Retrieved 928 of 928 residues in 1799.8 ms (Link to these results)

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