A0A087XL84_POEFO Loading...

Transmembrane serine protease 7

AlphaFold DB , UniProt , Accession A0A087XL84, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 838 aa.

						>A0A087XL84_POEFO|A0A087XL84
MSTKWKETEQTKGSDGDRPHQDTASIADVSVEVATVDHTLQKLRRMYRKTRRKPKGLKRLWAYLLNVPHITTITAAVLFVVVVVIWSLLWVFIFRRESYSGAYFAGMFRVANVEFIPEYRQAESHEFVSMATKIQQVVSSVYRTSSVARLYKQAVISDLSNNNKGGVLVHFWMVFIVPQMKTTAMREDFIEAILRDSINTSLKNRSSVGFLHELPVDMDSILINGVQRSDYSSNTADSQCVDKLYANLPGASVPLNVYSSWGGVNCHVKLTAVPGSLIRLTVTSFLIEPTGCVNDALTVYDALLPMRGRILHRLCELVSSSFSIVSTSNVMLLSFRMTSGSKSFNGHFEAVAEEICMSQIETKLDPDISGRIYSPFYPSLLPPQCSCSWRFKTPNSKLGVALQFENYALKPEDIKGCASGWWRVNEVIFCGMYVGHHTVFRIPDHSPQMEFRCSSPNSAQPFQASYYSYNISQPCQEGQFLCTTGLCVEKSRLCDGLDDCQDESDEVFCPRPTITCSTKIPPHPLFVCNGEMDCSDGVDEINCTKETSCSGIRYRCRSGSCILKKNAKCDDVPDCRDNSDEDDCACGLPAPLRKVGSTSGLDRIVGGVNSHEGEWPWQVSLHFAGSLYCGASVLSSDWLVSAAHCFRKESLSDPRSWSAHLGMLTQGSAKHVAEIQRIVVHEYYNAYTFDYDIALLQLKRPWPPSLWPLVQPVCLPPSSHTVTDTHRCLVTGWGYRSEEDKVLPSVLQKAEVSIMSQTECKKSYSPITPRMLCAGLPSGERDACRGDSGGPLSCQASDGGRWFLIGIVSWGSGCGRPNLPGVYTRVTKFTSWIYSHIS
					

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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	33.2	Very low	26.5	Very low	244 Å²	244	170.5 Å²	170.5	100%	1.202	85%	0.852	S	S	*	*				0	75.5	0	-127.1	159.2	117.7	0	0	106.4
2	S	25.7	Very low	26.3	Very low	109 Å²	109	173.8 Å²	173.8	76%	0.762	86%	0.858	S	S	*	*				50.2	101.7	92.6	-169.6	0	0	0	0	114
3	T	29.6	Very low	26.1	Very low	130 Å²	130	166.6 Å²	166.6	80%	0.798	86%	0.855	S	S	*	*			trans	-177.9	104.2	133.1	29.2	0	0	0	0	107.4
4	K	27.9	Very low	25.9	Very low	166 Å²	166	163.3 Å²	163.3	72%	0.722	85%	0.854	S	S	*	*				61.6	123.2	79.8	-127.6	179.6	-166.6	-177.1	0	110.2
5	W	26	Very low	26.1	Very low	210 Å²	210	163.7 Å²	163.7	80%	0.795	86%	0.858	S	S	*	*				-166.8	138.4	63.5	-77.7	81.8	0	0	0	108.6
6	K	26.6	Very low	26.1	Very low	178 Å²	178	158.2 Å²	158.2	77%	0.774	85%	0.853	S	S	*	*				79	108.4	61.9	-128.2	-166.1	-169.5	-167.2	0	115.1
7	E	25.4	Very low	26	Very low	184 Å²	184	156.7 Å²	156.7	86%	0.86	84%	0.844	S	S	*	*			trans	-172.5	107.6	138.3	-106.9	168.4	-178.9	0	0	108.7
8	T	24.4	Very low	25.8	Very low	126 Å²	126	159.8 Å²	159.8	77%	0.773	84%	0.842	S	S	*	*				44.4	116.5	94.3	15.7	0	0	0	0	113.6
9	E	24.4	Very low	25.9	Very low	196 Å²	196	157.4 Å²	157.4	92%	0.916	84%	0.836	S	S	*	*				-160.3	150	77.8	-113.7	175.8	164.6	0	0	114.5
10	Q	23.7	Very low	25.8	Very low	179 Å²	179	158.8 Å²	158.8	84%	0.836	84%	0.838	S	S	*	*			trans	-101.7	138.4	175.7	-112.4	175.6	-12.9	0	0	109.2
11	T	24.3	Very low	25.9	Very low	153 Å²	153	159.3 Å²	159.3	94%	0.939	84%	0.835	S	S	*	*			trans	-140.9	137.1	148.9	28.8	0	0	0	0	111.6
12	K	24.2	Very low	25.5	Very low	211 Å²	211	155 Å²	155	92%	0.917	82%	0.817	S	S	*	*			trans	-89.2	158.9	-171.5	-85.7	173.5	165.9	176.7	0	113.1
13	G	23.3	Very low	25.6	Very low	80 Å²	80	156 Å²	156	83%	0.825	82%	0.819	S	S	*	*			trans	122.7	136.5	156.4	0	0	0	0	0	111.1
14	S	24.5	Very low	25.4	Very low	120 Å²	120	154.5 Å²	154.5	84%	0.839	82%	0.82	S	S	*	*			cis	-163.8	152.7	12.4	167.4	0	0	0	0	107.2
15	D	28.6	Very low	25.3	Very low	170 Å²	170	150.7 Å²	150.7	91%	0.909	81%	0.814	S	S	*	*			trans	-53.1	145.9	172.4	-130.9	-15.2	0	0	0	113
16	G	25.6	Very low	25.8	Very low	75 Å²	75	148.3 Å²	148.3	77%	0.773	82%	0.815	S	S	*	*			trans	-176	111.3	179	0	0	0	0	0	113.3
17	D	24.8	Very low	25.9	Very low	133 Å²	133	143.2 Å²	143.2	71%	0.711	81%	0.807	S	S	*	*			trans	-79.5	141.8	-160.6	-152.7	18.3	0	0	0	115.9
18	R	22.7	Very low	26.1	Very low	213 Å²	213	141.3 Å²	141.3	80%	0.804	80%	0.802	S	S	*	*			trans	81.9	153.3	155.8	-55.7	176	-165.8	-163.6	-1.1	121.4
19	P	27.7	Very low	26.4	Very low	113 Å²	113	141 Å²	141	73%	0.734	80%	0.8	S	S	*	*			cis	-121.8	149.7	-3.2	36.5	-20.3	0	0	0	114.6	Q21	P19-Q21 PolarHBondContact O-N 2.89Å
20	H	24.1	Very low	26.5	Very low	186 Å²	186	136.1 Å²	136.1	86%	0.861	79%	0.787	S	S	*	*			trans	-66.4	111.6	166.5	-87.4	-76.8	0	0	0	110.2
21	Q	26.4	Very low	26.7	Very low	170 Å²	170	133.2 Å²	133.2	79%	0.794	78%	0.782	S	S	*	*			trans	-97.2	101.1	165.1	-165	161.7	-4.6	0	0	106	P19 T23	P19-Q21 PolarHBondContact O-N 2.89Å; Q21-T23 VanDerWaalsContact C-N 3.33Å; Q21-T23 PolarHBondContact O-N 3.39Å
22	D	25.1	Very low	26.7	Very low	152 Å²	152	134.3 Å²	134.3	81%	0.813	78%	0.776	S	S	*	*			trans	-64.9	91.8	178.1	-75.2	-29.9	0	0	0	109.7	A24	D22-A24 PolarHBondContact O-N 2.72Å
23	T	27.4	Very low	27	Very low	131 Å²	131	129.4 Å²	129.4	80%	0.804	76%	0.763	S	S	*	*			trans	-75.7	97	160.1	36.5	0	0	0	0	107.8	Q21 S25	Q21-T23 VanDerWaalsContact C-N 3.33Å; Q21-T23 PolarHBondContact O-N 3.39Å; T23-S25 PolarHBondContact O-N 3.24Å
24	A	25.8	Very low	27.3	Very low	99 Å²	99	129.7 Å²	129.7	82%	0.818	76%	0.758	S	S	*	*			trans	-62.9	108.8	173.3	0	0	0	0	0	110.1	D22	D22-A24 PolarHBondContact O-N 2.72Å
25	S	26.9	Very low	27.9	Very low	86 Å²	86	128.9 Å²	128.9	60%	0.601	75%	0.748	S	S	*	*			trans	-64.4	139.5	167.4	158.3	0	0	0	0	110.7	T23 A27	T23-S25 PolarHBondContact O-N 3.24Å; S25-A27 PolarHBondContact O-N 2.93Å; S25-A27 VanDerWaalsContact O-N 3.14Å; S25-A27 PolarHBondContact OG-N 2.96Å
26	I	35.1	Very low	28.5	Very low	159 Å²	159	125.5 Å²	125.5	82%	0.815	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	2.2	-176.8	-72.2	169.3	0	0	0	113
27	A	29	Very low	29.3	Very low	72 Å²	72	127.1 Å²	127.1	60%	0.595	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	-12.7	-179.9	0	0	0	0	0	115.5	S25	S25-A27 PolarHBondContact O-N 2.93Å; S25-A27 VanDerWaalsContact O-N 3.14Å; S25-A27 PolarHBondContact OG-N 2.96Å
28	D	29.3	Very low	30	Very low	143 Å²	143	128 Å²	128	77%	0.765	72%	0.724	S	S	*	*			trans	-106.6	64	-177	-84	-32.3	0	0	0	113.1
29	V	31.3	Very low	30.9	Very low	119 Å²	119	121.9 Å²	121.9	72%	0.721	71%	0.711	S	S	*	*			trans	-132.5	67.1	155.4	-169.1	0	0	0	0	108.5	V31	V29-V31 PolarHBondContact O-N 3.46Å
30	S	25.9	Very low	31.6	Very low	94 Å²	94	120.2 Å²	120.2	66%	0.657	70%	0.695	S	S	*	*			trans	-64.5	122.9	154.9	60.1	0	0	0	0	107.3	E32	S30-E32 PolarHBondContact O-N 3.45Å
31	V	27.9	Very low	32.8	Very low	119 Å²	119	117.2 Å²	117.2	72%	0.721	68%	0.681	S	S	*	*			trans	-70	95.5	161.7	178.5	0	0	0	0	104.6	V29 V33	V29-V31 PolarHBondContact O-N 3.46Å; V31-V33 HydrophobicContact CG1-CG2 4.02Å; V31-V33 PolarHBondContact O-N 2.94Å
32	E	24.3	Very low	33.7	Very low	176 Å²	176	116.3 Å²	116.3	82%	0.822	68%	0.675	S	S	*	*			trans	-60	90	160.1	-83.6	-166.1	154.6	0	0	107.2	S30 A34	S30-E32 PolarHBondContact O-N 3.45Å; E32-A34 VanDerWaalsContact C-N 3.27Å; E32-A34 PolarHBondContact O-N 2.87Å
33	V	32.1	Very low	34.7	Very low	107 Å²	107	114.1 Å²	114.1	65%	0.648	66%	0.663	S	S	*	*			trans	-65.8	102.1	153.7	-179.9	0	0	0	0	104	V31 T35	V31-V33 HydrophobicContact CG1-CG2 4.02Å; V31-V33 PolarHBondContact O-N 2.94Å; V33-T35 HydrophobicContact CG1-CG2 4.34Å; V33-T35 PolarHBondContact O-N 2.84Å
34	A	28.9	Very low	35.7	Very low	87 Å²	87	116.8 Å²	116.8	72%	0.719	66%	0.658	S	S	*	*			trans	-57.7	91	169.3	0	0	0	0	0	108.3	E32 V36	E32-A34 VanDerWaalsContact C-N 3.27Å; E32-A34 PolarHBondContact O-N 2.87Å; A34-V36 PolarHBondContact O-N 3.31Å
35	T	36.4	Very low	36.6	Very low	102 Å²	102	121.7 Å²	121.7	63%	0.626	66%	0.655	S	S	*	*			trans	-71.8	122	171.9	49.1	0	0	0	0	107.1	V33 D37	V33-T35 HydrophobicContact CG1-CG2 4.34Å; V33-T35 PolarHBondContact O-N 2.84Å; T35-D37 PolarHBondContact O-N 3.44Å
36	V	41.4	Very low	37.5	Very low	100 Å²	100	123.5 Å²	123.5	61%	0.606	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	49.6	178.8	-175.3	0	0	0	0	110.1	A34 L40	A34-V36 PolarHBondContact O-N 3.31Å; V36-L40 HydrophobicContact CG1-CD1 4.06Å
37	D	41.9	Very low	37.7	Very low	109 Å²	109	125.9 Å²	125.9	58%	0.583	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.7	-33.8	179.2	-114.5	-24.1	0	0	0	111.9	T35 L40 Q41	T35-D37 PolarHBondContact O-N 3.44Å; D37-L40 PolarHBondContact O-N 2.92Å; D37-Q41 PolarHBondContact O-N 3.48Å
38	H	39.5	Very low	38.3	Very low	150 Å²	150	133.4 Å²	133.4	69%	0.694	67%	0.669	S	S	*	*	H	α-helix	trans	-75.2	-31	-179.7	-157.6	-93.9	0	0	0	113	K42	H38-K42 PolarHBondContact O-N 3.35Å
39	T	42.2	Very low	39	Very low	85 Å²	85	135.5 Å²	135.5	52%	0.521	67%	0.671	S	S	.	*	H	α-helix	trans	-74.7	-32.8	174.2	34.5	0	0	0	0	112.4	K42 L43	T39-K42 PolarHBondContact O-N 3.45Å; T39-L43 WeakPolarHBondContact O-CG 3.31Å; T39-L43 PolarHBondContact O-N 2.95Å; T39-L43 VanDerWaalsContact O-N 3.07Å
40	L	43.7	Very low	39.5	Very low	79 Å²	79	136.2 Å²	136.2	41%	0.414	68%	0.676	S	S	.	*	H	α-helix	trans	-75.6	-34	179.7	-124.4	118.8	0	0	0	112.6	V36 D37 R44	V36-L40 HydrophobicContact CG1-CD1 4.06Å; D37-L40 PolarHBondContact O-N 2.92Å; L40-R44 WeakPolarHBondContact O-CB 3.31Å; L40-R44 PolarHBondContact O-N 2.88Å
41	Q	48.3	Very low	40.2	Very low	122 Å²	122	143.7 Å²	143.7	57%	0.57	69%	0.69	S	S	*	*	H	α-helix	trans	-70.4	-33.7	172	-75.2	-170.7	-1.7	0	0	112.8	D37 R45	D37-Q41 PolarHBondContact O-N 3.48Å; Q41-R45 PolarHBondContact O-N 2.97Å
42	K	45	Very low	40.6	Very low	151 Å²	151	149.7 Å²	149.7	66%	0.657	70%	0.7	S	S	*	*	H	α-helix	trans	-69.8	-38.6	175.4	-146	174.6	-173.9	179.7	0	111.6	H38 T39 R45 M46	H38-K42 PolarHBondContact O-N 3.35Å; T39-K42 PolarHBondContact O-N 3.45Å; K42-R45 PolarHBondContact O-N 3.36Å; K42-M46 PolarHBondContact O-N 3.5Å; K42-M46 VanDerWaalsContact O-N 3.1Å
43	L	47.2	Very low	41.5	Very low	107 Å²	107	150.5 Å²	150.5	56%	0.56	70%	0.7	S	S	*	*	H	α-helix	trans	-69.1	-40.1	173.4	-77.1	163.5	0	0	0	112.6	T39 R45 M46 Y47	T39-L43 WeakPolarHBondContact O-CG 3.31Å; T39-L43 PolarHBondContact O-N 2.95Å; T39-L43 VanDerWaalsContact O-N 3.07Å; L43-R45 VanDerWaalsContact C-N 3.31Å; L43-R45 PolarHBondContact O-N 3.48Å; L43-M46 HydrophobicContact CD2-CE 3.8Å; L43-M46 PolarHBondContact O-N 2.96Å; L43-Y47 WeakPolarHBondContact O-CB 3.38Å; L43-Y47 PolarHBondContact O-N 3.35Å
44	R	47.8	Very low	41.7	Very low	186 Å²	186	151.4 Å²	151.4	70%	0.702	71%	0.708	S	S	*	*	H	α-helix	trans	-65.6	-29.9	173.6	-82	-179.2	173	177	-0.4	113.4	L40	L40-R44 WeakPolarHBondContact O-CB 3.31Å; L40-R44 PolarHBondContact O-N 2.88Å
45	R	45	Very low	42.3	Very low	203 Å²	203	157 Å²	157	77%	0.766	72%	0.716	S	S	*	*	H	α-helix	trans	-75.1	-34.2	173.1	-83.4	-178.4	173.3	171	-0.2	113	Q41 K42 L43	Q41-R45 PolarHBondContact O-N 2.97Å; K42-R45 PolarHBondContact O-N 3.36Å; L43-R45 VanDerWaalsContact C-N 3.31Å; L43-R45 PolarHBondContact O-N 3.48Å
46	M	45.4	Very low	43	Very low	123 Å²	123	155.2 Å²	155.2	61%	0.606	72%	0.719	S	S	*	*	H	α-helix	trans	-71.8	-35.2	173	-71.6	-165.9	-53.2	0	0	112.4	K42 L43 R48 K49	K42-M46 PolarHBondContact O-N 3.5Å; K42-M46 VanDerWaalsContact O-N 3.1Å; L43-M46 HydrophobicContact CD2-CE 3.8Å; L43-M46 PolarHBondContact O-N 2.96Å; M46-R48 VanDerWaalsContact C-N 3.26Å; M46-R48 PolarHBondContact O-N 2.9Å; M46-K49 PolarHBondContact O-N 3.34Å
47	Y	39.2	Very low	43.2	Very low	210 Å²	210	156.2 Å²	156.2	82%	0.824	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-9.9	-178.8	-148.2	-99.1	0	0	0	114.5	L43	L43-Y47 WeakPolarHBondContact O-CB 3.38Å; L43-Y47 PolarHBondContact O-N 3.35Å
48	R	41.9	Very low	43.2	Very low	230 Å²	230	161.1 Å²	161.1	87%	0.868	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	1.2	174.8	-94.1	-177	178	175.5	0.1	114.7	M46	M46-R48 VanDerWaalsContact C-N 3.26Å; M46-R48 PolarHBondContact O-N 2.9Å
49	K	43.4	Very low	43.7	Very low	187 Å²	187	165.3 Å²	165.3	81%	0.813	75%	0.746	S	S	*	*	S	Bend	trans	-110.4	11.8	-174.7	-110.2	-175.8	-179.2	-176.7	0	117.1	M46	M46-K49 PolarHBondContact O-N 3.34Å
50	T	41.3	Very low	43.8	Very low	133 Å²	133	166.5 Å²	166.5	82%	0.816	75%	0.748	S	S	*	*			trans	-131.5	74.9	174.7	18.6	0	0	0	0	111.3
51	R	40.5	Very low	43.6	Very low	251 Å²	251	173 Å²	173	95%	0.947	77%	0.768	S	S	*	*			trans	-114.2	87.1	160.7	-124.1	-172.6	-176.1	-175.7	2.3	108.4
52	R	37.3	Very low	43.4	Very low	246 Å²	246	171.6 Å²	171.6	93%	0.928	78%	0.777	S	S	*	*			trans	-135.8	120.4	155	-81.8	-169.7	174.9	170.7	-1.5	108.7
53	K	42	Very low	43.5	Very low	193 Å²	193	175.1 Å²	175.1	84%	0.839	79%	0.787	S	S	*	*			trans	-57	134.5	178.8	-69.1	173.2	172.2	176.6	0	110.6	K55	K53-K55 PolarHBondContact O-N 3.46Å
54	P	37.9	Very low	43.4	Very low	126 Å²	126	176 Å²	176	82%	0.818	79%	0.792	S	S	*	*			trans	-85.6	106.5	155.9	30.5	-23.6	0	0	0	108.5
55	K	40.9	Very low	43.4	Very low	203 Å²	203	173.6 Å²	173.6	88%	0.883	79%	0.792	S	S	*	*			trans	-84.9	109.1	152.9	-81.7	-174.3	176.5	-178.5	0	106	K53	K53-K55 PolarHBondContact O-N 3.46Å
56	G	51.6	Low	43.6	Very low	66 Å²	66	171.5 Å²	171.5	68%	0.68	80%	0.796	S	S	*	*			trans	142.8	57.1	173	0	0	0	0	0	114.3
57	L	44.5	Very low	44	Very low	120 Å²	120	170.3 Å²	170.3	63%	0.628	80%	0.796	S	S	*	*			trans	-140.7	44	163.5	-141.2	93.1	0	0	0	111.9	R59 L60	L57-R59 VanDerWaalsContact C-N 3.33Å; L57-R59 PolarHBondContact O-N 2.84Å; L57-L60 HydrophobicContact CD2-CB 4.21Å; L57-L60 HydrophobicContact CG-CB 4.34Å
58	K	42.4	Very low	44.5	Very low	212 Å²	212	165.7 Å²	165.7	92%	0.922	79%	0.792	S	S	*	*	S	Bend	trans	-92	69	159.7	-78.2	-170.5	176.3	-174.4	0	108.7
59	R	49.5	Very low	45.2	Very low	239 Å²	239	160.1 Å²	160.1	90%	0.902	78%	0.775	S	S	*	*	S	Bend	trans	-170.1	1.3	161.9	-113	171.8	-172.8	-175.7	1.4	116.2	L57	L57-R59 VanDerWaalsContact C-N 3.33Å; L57-R59 PolarHBondContact O-N 2.84Å
60	L	44.5	Very low	46	Very low	110 Å²	110	155 Å²	155	58%	0.576	76%	0.756	S	S	*	*	S	Bend	trans	-110.6	-5	-179.6	-117.3	117.7	0	0	0	115.3	L57	L57-L60 HydrophobicContact CD2-CB 4.21Å; L57-L60 HydrophobicContact CG-CB 4.34Å
61	W	40.5	Very low	46.9	Very low	215 Å²	215	153.6 Å²	153.6	81%	0.814	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	9.6	179.2	-99.5	79.2	0	0	0	114.6
62	A	44.3	Very low	48.1	Very low	92 Å²	92	145.3 Å²	145.3	76%	0.76	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.6	8.8	179.2	0	0	0	0	0	113.9
63	Y	46.8	Very low	49.7	Very low	225 Å²	225	138.7 Å²	138.7	88%	0.882	71%	0.707	S	S	*	*	S	Bend	trans	-129.7	6	179.5	-127.9	-90.2	0	0	0	114.4
64	L	44.6	Very low	51.1	Low	126 Å²	126	133.3 Å²	133.3	66%	0.66	69%	0.69	S	S	*	*	S	Bend	trans	-115.4	17.7	-179.2	-93.4	159.7	0	0	0	113.4
65	L	48.8	Very low	53	Low	135 Å²	135	130 Å²	130	71%	0.707	67%	0.674	S	S	*	*	S	Bend	trans	-116.9	78.7	166.9	-100	149.8	0	0	0	106.7
66	N	48.7	Very low	54.9	Low	159 Å²	159	123 Å²	123	85%	0.85	65%	0.653	S	S	*	*			trans	169.7	71.4	154.9	-89.1	-15.6	0	0	0	110.6
67	V	52.9	Low	56.5	Low	98 Å²	98	123.9 Å²	123.9	59%	0.594	65%	0.645	S	S	*	*			trans	-144.8	126	154.4	-172.5	0	0	0	0	108.1	H69	V67-H69 PolarHBondContact O-N 3.34Å
68	P	50.5	Low	58.4	Low	114 Å²	114	123.7 Å²	123.7	74%	0.74	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	26.2	-163.6	33.5	-37.1	0	0	0	114.9
69	H	56.9	Low	60.5	Low	113 Å²	113	120.4 Å²	120.4	52%	0.523	63%	0.63	S	S	.	*	T	Hydrogen-bonded Turn	trans	-127.7	1.9	-179.3	-71.7	-64	0	0	0	114.4	V67 T71 T72 I73	V67-H69 PolarHBondContact O-N 3.34Å; H69-T71 VanDerWaalsContact C-N 3.31Å; H69-T71 PolarHBondContact O-N 3.26Å; H69-T72 VanDerWaalsContact CA-OG1 3.31Å; H69-T72 WeakPolarHBondContact CA-OG1 3.35Å; H69-T72 PolarHBondContact O-N 2.87Å; H69-T72 PolarHBondContact O-OG1 3.44Å; H69-I73 HydrophobicContact CB-CD1 4.38Å; H69-I73 VanDerWaalsContact O-CG1 3.31Å; H69-I73 WeakPolarHBondContact O-CG1 3.34Å; H69-I73 PolarHBondContact O-N 3.38Å
70	I	58.9	Low	62.4	Low	78 Å²	78	113.2 Å²	113.2	40%	0.4	61%	0.613	S	S	.	*	H	α-helix	trans	-62.5	-40.9	-178.9	-67	173.4	0	0	0	110.8	T72 I73 T74	I70-T72 VanDerWaalsContact C-N 3.35Å; I70-T72 PolarHBondContact O-N 3.39Å; I70-I73 PolarHBondContact O-N 2.85Å; I70-T74 HydrophobicContact CG2-CG2 4.21Å; I70-T74 WeakPolarHBondContact O-CB 3.3Å; I70-T74 WeakPolarHBondContact O-CG2 3.33Å; I70-T74 PolarHBondContact O-N 3.5Å; I70-T74 PolarHBondContact O-OG1 2.75Å
71	T	60.2	Low	64.5	Low	104 Å²	104	111.3 Å²	111.3	64%	0.638	61%	0.605	S	S	*	*	H	α-helix	trans	-61.3	-42.9	176.9	50.9	0	0	0	0	111.8	H69 T74 A75	H69-T71 VanDerWaalsContact C-N 3.31Å; H69-T71 PolarHBondContact O-N 3.26Å; T71-T74 WeakPolarHBondContact CA-OG1 3.45Å; T71-T74 PolarHBondContact O-N 2.82Å; T71-T74 PolarHBondContact O-OG1 3.44Å; T71-A75 VanDerWaalsContact O-CB 3.31Å; T71-A75 WeakPolarHBondContact O-CB 3.24Å; T71-A75 PolarHBondContact O-N 2.61Å
72	T	65.4	Low	66.9	Low	78 Å²	78	104.9 Å²	104.9	48%	0.479	59%	0.59	S	S	.	*	H	α-helix	trans	-67.3	-39.6	177.4	45.9	0	0	0	0	112.6	H69 I70 A75 A76	H69-T72 VanDerWaalsContact CA-OG1 3.31Å; H69-T72 WeakPolarHBondContact CA-OG1 3.35Å; H69-T72 PolarHBondContact O-N 2.87Å; H69-T72 PolarHBondContact O-OG1 3.44Å; I70-T72 VanDerWaalsContact C-N 3.35Å; I70-T72 PolarHBondContact O-N 3.39Å; T72-A75 PolarHBondContact O-N 3.17Å; T72-A76 WeakPolarHBondContact O-CB 3.31Å; T72-A76 PolarHBondContact O-N 2.81Å
73	I	71.7	Confident	69.2	Low	106 Å²	106	103.5 Å²	103.5	54%	0.544	57%	0.572	S	S	.	*	H	α-helix	trans	-70	-42.2	177.4	-65	166.2	0	0	0	110.1	H69 I70 A75 A76 V77	H69-I73 HydrophobicContact CB-CD1 4.38Å; H69-I73 VanDerWaalsContact O-CG1 3.31Å; H69-I73 WeakPolarHBondContact O-CG1 3.34Å; H69-I73 PolarHBondContact O-N 3.38Å; I70-I73 PolarHBondContact O-N 2.85Å; I73-A75 VanDerWaalsContact C-N 3.33Å; I73-A75 PolarHBondContact O-N 3.47Å; I73-A76 PolarHBondContact O-N 3.47Å; I73-V77 HydrophobicContact CG2-CG2 4.47Å; I73-V77 VanDerWaalsContact O-CG2 3.3Å; I73-V77 WeakPolarHBondContact O-CG2 3.38Å; I73-V77 PolarHBondContact O-N 3.42Å
74	T	72.2	Confident	71.2	Confident	80 Å²	80	96.1 Å²	96.1	49%	0.491	55%	0.55	S	S	.	*	H	α-helix	trans	-63.5	-39.5	175.9	52.1	0	0	0	0	111.8	I70 T71 V77 L78	I70-T74 HydrophobicContact CG2-CG2 4.21Å; I70-T74 WeakPolarHBondContact O-CB 3.3Å; I70-T74 WeakPolarHBondContact O-CG2 3.33Å; I70-T74 PolarHBondContact O-N 3.5Å; I70-T74 PolarHBondContact O-OG1 2.75Å; T71-T74 WeakPolarHBondContact CA-OG1 3.45Å; T71-T74 PolarHBondContact O-N 2.82Å; T71-T74 PolarHBondContact O-OG1 3.44Å; T74-V77 PolarHBondContact O-N 3.38Å; T74-L78 WeakPolarHBondContact O-CB 3.4Å; T74-L78 PolarHBondContact O-N 2.77Å
75	A	77.3	Confident	73.2	Confident	57 Å²	57	94.4 Å²	94.4	47%	0.471	54%	0.541	S	S	.	.	H	α-helix	trans	-67.4	-41	176.8	0	0	0	0	0	112.1	T71 T72 I73 L78 F79	T71-A75 VanDerWaalsContact O-CB 3.31Å; T71-A75 WeakPolarHBondContact O-CB 3.24Å; T71-A75 PolarHBondContact O-N 2.61Å; T72-A75 PolarHBondContact O-N 3.17Å; I73-A75 VanDerWaalsContact C-N 3.33Å; I73-A75 PolarHBondContact O-N 3.47Å; A75-L78 PolarHBondContact O-N 3.27Å; A75-F79 WeakPolarHBondContact O-CB 3.45Å; A75-F79 PolarHBondContact O-N 2.75Å
76	A	80.4	Confident	74.9	Confident	55 Å²	55	97.2 Å²	97.2	46%	0.455	54%	0.542	S	S	.	.	H	α-helix	trans	-63.5	-43.1	175.8	0	0	0	0	0	111.9	T72 I73 F79 V80	T72-A76 WeakPolarHBondContact O-CB 3.31Å; T72-A76 PolarHBondContact O-N 2.81Å; I73-A76 PolarHBondContact O-N 3.47Å; A76-F79 PolarHBondContact O-N 2.79Å; A76-V80 WeakPolarHBondContact O-CG2 3.25Å; A76-V80 PolarHBondContact O-N 2.87Å
77	V	84.6	Confident	76.5	Confident	85 Å²	85	92.1 Å²	92.1	52%	0.515	52%	0.519	S	S	.	.	H	α-helix	trans	-64.8	-42.4	175.8	173.6	0	0	0	0	110.9	I73 T74 F79 V80 V81	I73-V77 HydrophobicContact CG2-CG2 4.47Å; I73-V77 VanDerWaalsContact O-CG2 3.3Å; I73-V77 WeakPolarHBondContact O-CG2 3.38Å; I73-V77 PolarHBondContact O-N 3.42Å; T74-V77 PolarHBondContact O-N 3.38Å; V77-F79 VanDerWaalsContact C-N 3.33Å; V77-F79 PolarHBondContact O-N 2.74Å; V77-V80 PolarHBondContact O-N 3.4Å; V77-V81 HydrophobicContact CG1-CG2 4.35Å; V77-V81 WeakPolarHBondContact O-CB 3.24Å; V77-V81 VanDerWaalsContact O-CG2 3.24Å; V77-V81 WeakPolarHBondContact O-CG2 3.22Å; V77-V81 PolarHBondContact O-N 2.8Å
78	L	85.6	Confident	77.9	Confident	116 Å²	116	92.5 Å²	92.5	61%	0.607	52%	0.517	S	S	*	.	H	α-helix	trans	-62.9	-40.6	176.7	-127.4	150.3	0	0	0	111.6	T74 A75 V81 V82	T74-L78 WeakPolarHBondContact O-CB 3.4Å; T74-L78 PolarHBondContact O-N 2.77Å; A75-L78 PolarHBondContact O-N 3.27Å; L78-V81 PolarHBondContact O-N 3.19Å; L78-V82 HydrophobicContact CD2-CG2 4.2Å; L78-V82 WeakPolarHBondContact O-CB 3.35Å; L78-V82 VanDerWaalsContact O-CG2 3.25Å; L78-V82 WeakPolarHBondContact O-CG2 3.46Å; L78-V82 PolarHBondContact O-N 2.97Å
79	F	85.8	Confident	79.3	Confident	143 Å²	143	91.3 Å²	91.3	63%	0.627	50%	0.504	S	S	*	.	H	α-helix	trans	-63.3	-46.5	175.5	-175.7	-100	0	0	0	111.7	A75 A76 V77 V81 V82 V83	A75-F79 WeakPolarHBondContact O-CB 3.45Å; A75-F79 PolarHBondContact O-N 2.75Å; A76-F79 PolarHBondContact O-N 2.79Å; V77-F79 VanDerWaalsContact C-N 3.33Å; V77-F79 PolarHBondContact O-N 2.74Å; F79-V81 VanDerWaalsContact C-N 3.33Å; F79-V81 PolarHBondContact O-N 3.37Å; F79-V82 PolarHBondContact O-N 2.96Å; F79-V83 HydrophobicContact CD1-CG2 4.11Å; F79-V83 HydrophobicContact CE1-CG2 3.77Å; F79-V83 HydrophobicContact CE2-CG2 4.32Å; F79-V83 HydrophobicContact CZ-CG2 3.88Å; F79-V83 WeakPolarHBondContact O-CB 3.28Å; F79-V83 VanDerWaalsContact O-CG2 3.28Å; F79-V83 WeakPolarHBondContact O-CG2 3.47Å; F79-V83 PolarHBondContact O-N 3.42Å
80	V	89.6	Confident	80	Confident	88 Å²	88	93.4 Å²	93.4	53%	0.533	51%	0.508	S	S	.	.	H	α-helix	trans	-61.5	-42.6	176.1	173.4	0	0	0	0	111	A76 V77 V83 V84	A76-V80 WeakPolarHBondContact O-CG2 3.25Å; A76-V80 PolarHBondContact O-N 2.87Å; V77-V80 PolarHBondContact O-N 3.4Å; V80-V83 PolarHBondContact O-N 3.1Å; V80-V84 HydrophobicContact CG1-CG2 4.3Å; V80-V84 WeakPolarHBondContact O-CB 3.19Å; V80-V84 VanDerWaalsContact O-CG2 3.24Å; V80-V84 WeakPolarHBondContact O-CG2 3.14Å; V80-V84 PolarHBondContact O-N 3.07Å
81	V	89.8	Confident	80.7	Confident	70 Å²	70	92.6 Å²	92.6	42%	0.424	51%	0.506	S	S	.	.	H	α-helix	trans	-63.9	-42.4	177.1	171.4	0	0	0	0	111.2	V77 L78 F79 V84 I85	V77-V81 HydrophobicContact CG1-CG2 4.35Å; V77-V81 WeakPolarHBondContact O-CB 3.24Å; V77-V81 VanDerWaalsContact O-CG2 3.24Å; V77-V81 WeakPolarHBondContact O-CG2 3.22Å; V77-V81 PolarHBondContact O-N 2.8Å; L78-V81 PolarHBondContact O-N 3.19Å; F79-V81 VanDerWaalsContact C-N 3.33Å; F79-V81 PolarHBondContact O-N 3.37Å; V81-V84 PolarHBondContact O-N 3.48Å; V81-I85 HydrophobicContact CG1-CD1 3.64Å; V81-I85 HydrophobicContact CG1-CG1 4.31Å; V81-I85 WeakPolarHBondContact O-CB 3.41Å; V81-I85 VanDerWaalsContact O-CG1 3.22Å; V81-I85 WeakPolarHBondContact O-CG1 3.34Å; V81-I85 PolarHBondContact O-N 3.29Å
82	V	90.8	Very high	80.9	Confident	80 Å²	80	94.7 Å²	94.7	49%	0.485	51%	0.507	S	S	.	.	H	α-helix	trans	-64.7	-43	176	170	0	0	0	0	110.9	L78 F79 V84 I85 W86	L78-V82 HydrophobicContact CD2-CG2 4.2Å; L78-V82 WeakPolarHBondContact O-CB 3.35Å; L78-V82 VanDerWaalsContact O-CG2 3.25Å; L78-V82 WeakPolarHBondContact O-CG2 3.46Å; L78-V82 PolarHBondContact O-N 2.97Å; F79-V82 PolarHBondContact O-N 2.96Å; V82-V84 PolarHBondContact O-N 3.38Å; V82-I85 PolarHBondContact O-N 3.48Å; V82-W86 WeakPolarHBondContact O-CB 3.2Å; V82-W86 PolarHBondContact O-N 3.29Å
83	V	90.9	Very high	80.6	Confident	63 Å²	63	96.7 Å²	96.7	38%	0.382	51%	0.513	S	S	.	.	H	α-helix	trans	-63.5	-42.3	176.6	171.2	0	0	0	0	110.9	F79 V80 W86 S87	F79-V83 HydrophobicContact CD1-CG2 4.11Å; F79-V83 HydrophobicContact CE1-CG2 3.77Å; F79-V83 HydrophobicContact CE2-CG2 4.32Å; F79-V83 HydrophobicContact CZ-CG2 3.88Å; F79-V83 WeakPolarHBondContact O-CB 3.28Å; F79-V83 VanDerWaalsContact O-CG2 3.28Å; F79-V83 WeakPolarHBondContact O-CG2 3.47Å; F79-V83 PolarHBondContact O-N 3.42Å; V80-V83 PolarHBondContact O-N 3.1Å; V83-W86 PolarHBondContact O-N 3.43Å; V83-S87 VanDerWaalsContact O-CB 3.3Å; V83-S87 WeakPolarHBondContact O-CB 3.19Å; V83-S87 PolarHBondContact O-N 3.04Å; V83-S87 PolarHBondContact O-OG 3.13Å
84	V	89.2	Confident	79.7	Confident	71 Å²	71	98 Å²	98	43%	0.43	52%	0.515	S	S	.	.	H	α-helix	trans	-66.7	-43.4	176.5	171.6	0	0	0	0	111.2	V80 V81 V82 W86 S87 L88	V80-V84 HydrophobicContact CG1-CG2 4.3Å; V80-V84 WeakPolarHBondContact O-CB 3.19Å; V80-V84 VanDerWaalsContact O-CG2 3.24Å; V80-V84 WeakPolarHBondContact O-CG2 3.14Å; V80-V84 PolarHBondContact O-N 3.07Å; V81-V84 PolarHBondContact O-N 3.48Å; V82-V84 PolarHBondContact O-N 3.38Å; V84-W86 VanDerWaalsContact C-N 3.34Å; V84-S87 WeakPolarHBondContact CA-OG 3.3Å; V84-S87 PolarHBondContact O-OG 2.76Å; V84-L88 HydrophobicContact CG1-CD1 3.83Å; V84-L88 HydrophobicContact CG1-CG 4.29Å; V84-L88 WeakPolarHBondContact O-CB 3.15Å; V84-L88 WeakPolarHBondContact O-CG 3.46Å; V84-L88 PolarHBondContact O-N 3.21Å
85	I	87.7	Confident	78.7	Confident	90 Å²	90	104.3 Å²	104.3	46%	0.462	53%	0.53	S	S	.	.	H	α-helix	trans	-64.9	-40.8	175.9	-71.5	170.6	0	0	0	110.5	V81 V82 L88 L89	V81-I85 HydrophobicContact CG1-CD1 3.64Å; V81-I85 HydrophobicContact CG1-CG1 4.31Å; V81-I85 WeakPolarHBondContact O-CB 3.41Å; V81-I85 VanDerWaalsContact O-CG1 3.22Å; V81-I85 WeakPolarHBondContact O-CG1 3.34Å; V81-I85 PolarHBondContact O-N 3.29Å; V82-I85 PolarHBondContact O-N 3.48Å; I85-L88 PolarHBondContact O-N 2.73Å; I85-L89 HydrophobicContact CG2-CD1 3.89Å; I85-L89 HydrophobicContact CG2-CG 4.48Å; I85-L89 VanDerWaalsContact O-CB 3.23Å; I85-L89 WeakPolarHBondContact O-CB 3.4Å; I85-L89 WeakPolarHBondContact O-CG 3.23Å; I85-L89 PolarHBondContact O-N 2.87Å
86	W	83.8	Confident	77.2	Confident	193 Å²	193	111.3 Å²	111.3	73%	0.731	54%	0.544	S	S	*	.	H	α-helix	trans	-72.1	-37.7	-179.3	-162.4	52	0	0	0	111.8	V82 V83 V84 L89 W90	V82-W86 WeakPolarHBondContact O-CB 3.2Å; V82-W86 PolarHBondContact O-N 3.29Å; V83-W86 PolarHBondContact O-N 3.43Å; V84-W86 VanDerWaalsContact C-N 3.34Å; W86-L89 PolarHBondContact O-N 3.46Å; W86-W90 WeakPolarHBondContact O-CB 3.29Å; W86-W90 PolarHBondContact O-N 3.06Å
87	S	82.4	Confident	75.8	Confident	52 Å²	52	113.7 Å²	113.7	36%	0.364	55%	0.546	S	S	.	.	H	α-helix	trans	-71.9	-35.7	172.2	48.8	0	0	0	0	112.3	V83 V84 W90 V91	V83-S87 VanDerWaalsContact O-CB 3.3Å; V83-S87 WeakPolarHBondContact O-CB 3.19Å; V83-S87 PolarHBondContact O-N 3.04Å; V83-S87 PolarHBondContact O-OG 3.13Å; V84-S87 WeakPolarHBondContact CA-OG 3.3Å; V84-S87 PolarHBondContact O-OG 2.76Å; S87-W90 PolarHBondContact O-N 3.08Å; S87-V91 WeakPolarHBondContact O-CB 3.34Å; S87-V91 WeakPolarHBondContact O-CG2 3.12Å; S87-V91 PolarHBondContact O-N 3.3Å
88	L	82.4	Confident	74.6	Confident	107 Å²	107	112.6 Å²	112.6	56%	0.56	54%	0.542	S	S	*	.	H	α-helix	trans	-66.9	-41.1	170.3	-75.3	173.4	0	0	0	111.6	V84 I85 V91 F92	V84-L88 HydrophobicContact CG1-CD1 3.83Å; V84-L88 HydrophobicContact CG1-CG 4.29Å; V84-L88 WeakPolarHBondContact O-CB 3.15Å; V84-L88 WeakPolarHBondContact O-CG 3.46Å; V84-L88 PolarHBondContact O-N 3.21Å; I85-L88 PolarHBondContact O-N 2.73Å; L88-V91 CarbonylContact O-C 3.58Å; L88-V91 PolarHBondContact O-N 3.04Å; L88-F92 VanDerWaalsContact O-CB 3.29Å; L88-F92 WeakPolarHBondContact O-CB 3.44Å; L88-F92 PolarHBondContact O-N 2.89Å
89	L	79	Confident	73.6	Confident	89 Å²	89	113.9 Å²	113.9	47%	0.466	54%	0.539	S	S	.	.	H	α-helix	trans	-64.5	-42.4	172.9	-88	166.7	0	0	0	111	I85 W86 F92 I93	I85-L89 HydrophobicContact CG2-CD1 3.89Å; I85-L89 HydrophobicContact CG2-CG 4.48Å; I85-L89 VanDerWaalsContact O-CB 3.23Å; I85-L89 WeakPolarHBondContact O-CB 3.4Å; I85-L89 WeakPolarHBondContact O-CG 3.23Å; I85-L89 PolarHBondContact O-N 2.87Å; W86-L89 PolarHBondContact O-N 3.46Å; L89-F92 PolarHBondContact O-N 3.08Å; L89-I93 HydrophobicContact CB-CD1 4.42Å; L89-I93 HydrophobicContact CD2-CD1 4.46Å; L89-I93 WeakPolarHBondContact O-CB 3.12Å; L89-I93 WeakPolarHBondContact O-CD1 3.43Å; L89-I93 WeakPolarHBondContact O-CG1 3.2Å; L89-I93 PolarHBondContact O-N 3.4Å
90	W	73	Confident	73.2	Confident	157 Å²	157	108.3 Å²	108.3	60%	0.595	52%	0.518	S	S	*	.	H	α-helix	trans	-61.7	-45.8	175	-174.3	77.3	0	0	0	110.3	W86 S87 F92 I93 F94	W86-W90 WeakPolarHBondContact O-CB 3.29Å; W86-W90 PolarHBondContact O-N 3.06Å; S87-W90 PolarHBondContact O-N 3.08Å; W90-F92 PolarHBondContact O-N 2.68Å; W90-I93 PolarHBondContact O-N 3.46Å; W90-F94 AromaticContact CD1-CD2 3.57Å; W90-F94 AromaticContact CD1-CE2 3.48Å; W90-F94 VanDerWaalsContact CD1-CE2 3.48Å; W90-F94 HydrophobicContact CD2-CD2 4.2Å; W90-F94 AromaticContact CE2-CD2 3.84Å; W90-F94 AromaticContact CE2-CE2 3.91Å; W90-F94 HydrophobicContact CG-CD2 4.04Å; W90-F94 HydrophobicContact CG-CE2 4.37Å; W90-F94 AromaticContact NE1-CD2 3.43Å; W90-F94 AromaticContact NE1-CE2 3.13Å; W90-F94 VanDerWaalsContact O-CB 3.3Å; W90-F94 WeakPolarHBondContact O-CB 3.23Å; W90-F94 WeakPolarHBondContact O-CD2 3.39Å; W90-F94 PolarHBondContact O-N 3.18Å
91	V	73.9	Confident	72.8	Confident	60 Å²	60	105.7 Å²	105.7	36%	0.364	51%	0.509	S	S	.	.	H	α-helix	trans	-62.8	-40.8	172.5	170.6	0	0	0	0	111.3	S87 L88 R95	S87-V91 WeakPolarHBondContact O-CB 3.34Å; S87-V91 WeakPolarHBondContact O-CG2 3.12Å; S87-V91 PolarHBondContact O-N 3.3Å; L88-V91 CarbonylContact O-C 3.58Å; L88-V91 PolarHBondContact O-N 3.04Å; V91-R95 HydrophobicContact CG1-CG 4.48Å; V91-R95 WeakPolarHBondContact O-CA 3.13Å; V91-R95 WeakPolarHBondContact O-CB 3.46Å; V91-R95 PolarHBondContact O-N 3.26Å
92	F	64.3	Low	72.7	Confident	149 Å²	149	102.9 Å²	102.9	65%	0.654	49%	0.493	S	S	*	.	H	α-helix	trans	-72.4	-35.5	-179.3	-132.6	-90.8	0	0	0	112.5	L88 L89 W90 R96	L88-F92 VanDerWaalsContact O-CB 3.29Å; L88-F92 WeakPolarHBondContact O-CB 3.44Å; L88-F92 PolarHBondContact O-N 2.89Å; L89-F92 PolarHBondContact O-N 3.08Å; W90-F92 PolarHBondContact O-N 2.68Å; F92-R96 VanDerWaalsContact O-CB 3.23Å; F92-R96 WeakPolarHBondContact O-CB 3.3Å; F92-R96 PolarHBondContact O-N 3.18Å
93	I	58.7	Low	72.6	Confident	120 Å²	120	100.7 Å²	100.7	62%	0.615	48%	0.477	S	S	*	.	H	α-helix	trans	-73.4	-42.7	177.2	-69.1	165.6	0	0	0	109.6	L89 W90	L89-I93 HydrophobicContact CB-CD1 4.42Å; L89-I93 HydrophobicContact CD2-CD1 4.46Å; L89-I93 WeakPolarHBondContact O-CB 3.12Å; L89-I93 WeakPolarHBondContact O-CD1 3.43Å; L89-I93 WeakPolarHBondContact O-CG1 3.2Å; L89-I93 PolarHBondContact O-N 3.4Å; W90-I93 PolarHBondContact O-N 3.46Å
94	F	52.2	Low	72.7	Confident	133 Å²	133	98 Å²	98	58%	0.583	46%	0.46	S	S	*	.	H	α-helix	trans	-80.5	-29.5	178.2	-83.9	-88.1	0	0	0	114.3	W90 R96	W90-F94 AromaticContact CD1-CD2 3.57Å; W90-F94 AromaticContact CD1-CE2 3.48Å; W90-F94 VanDerWaalsContact CD1-CE2 3.48Å; W90-F94 HydrophobicContact CD2-CD2 4.2Å; W90-F94 AromaticContact CE2-CD2 3.84Å; W90-F94 AromaticContact CE2-CE2 3.91Å; W90-F94 HydrophobicContact CG-CD2 4.04Å; W90-F94 HydrophobicContact CG-CE2 4.37Å; W90-F94 AromaticContact NE1-CD2 3.43Å; W90-F94 AromaticContact NE1-CE2 3.13Å; W90-F94 VanDerWaalsContact O-CB 3.3Å; W90-F94 WeakPolarHBondContact O-CB 3.23Å; W90-F94 WeakPolarHBondContact O-CD2 3.39Å; W90-F94 PolarHBondContact O-N 3.18Å; F94-R96 VanDerWaalsContact C-N 3.32Å
95	R	51.2	Low	72.8	Confident	212 Å²	212	94.7 Å²	94.7	80%	0.8	44%	0.44	S	S	*	.	H	α-helix	trans	-78.2	-13	172.4	-95.5	-176.2	158.1	168.1	-5	113.7	V91 E97	V91-R95 HydrophobicContact CG1-CG 4.48Å; V91-R95 WeakPolarHBondContact O-CA 3.13Å; V91-R95 WeakPolarHBondContact O-CB 3.46Å; V91-R95 PolarHBondContact O-N 3.26Å; R95-E97 PolarHBondContact O-N 2.75Å; R95-E97 VanDerWaalsContact O-N 3.13Å
96	R	45.6	Very low	73.1	Confident	205 Å²	205	90.4 Å²	90.4	77%	0.774	42%	0.418	S	S	*	.			trans	-85.3	38.2	175	-155.9	175.3	-179.8	-175.9	-1.1	111.3	F92 F94 S98	F92-R96 VanDerWaalsContact O-CB 3.23Å; F92-R96 WeakPolarHBondContact O-CB 3.3Å; F92-R96 PolarHBondContact O-N 3.18Å; F94-R96 VanDerWaalsContact C-N 3.32Å; R96-S98 PolarHBondContact O-N 3.35Å; R96-S98 VanDerWaalsContact O-N 3.1Å
97	E	51.5	Low	73.6	Confident	105 Å²	105	81.8 Å²	81.8	49%	0.491	39%	0.386	S	S	.	.			trans	-69.2	100	155.2	-79.6	-170.7	162.2	0	0	107.2	R95 Y99	R95-E97 PolarHBondContact O-N 2.75Å; R95-E97 VanDerWaalsContact O-N 3.13Å; E97-Y99 HydrophobicContact CB-CE2 4.46Å; E97-Y99 WeakPolarHBondContact O-CD2 3.29Å; E97-Y99 PolarHBondContact O-N 3.29Å
98	S	58.8	Low	74.1	Confident	61 Å²	61	79.4 Å²	79.4	43%	0.427	37%	0.369	S	S	.	.			trans	-65.1	119.4	168.4	-172.1	0	0	0	0	107.7	R96 Q179	R96-S98 PolarHBondContact O-N 3.35Å; R96-S98 VanDerWaalsContact O-N 3.1Å; S98-Q179 WeakPolarHBondContact O-CB 3.28Å; S98-Q179 VanDerWaalsContact O-CG 3.25Å; S98-Q179 WeakPolarHBondContact O-CG 3.21Å; S98-Q179 PolarHBondContact O-N 3.15Å; S98-Q179 PolarHBondContact OG-NE2 3.4Å
99	Y	66	Low	74.5	Confident	143 Å²	143	76 Å²	76	56%	0.561	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	133	173.1	-69	-86.1	0	0	0	109.4	E97 I176 V177 P178	E97-Y99 HydrophobicContact CB-CE2 4.46Å; E97-Y99 WeakPolarHBondContact O-CD2 3.29Å; E97-Y99 PolarHBondContact O-N 3.29Å; Y99-I176 HydrophobicContact CD1-CG2 3.88Å; Y99-I176 HydrophobicContact CG-CG2 4.13Å; Y99-V177 WeakPolarHBondContact CA-O 3.19Å; Y99-P178 HydrophobicContact CD1-CG 4.3Å; Y99-P178 HydrophobicContact CE1-CB 4.48Å; Y99-P178 HydrophobicContact CE1-CG 3.91Å
100	S	75.7	Confident	75.1	Confident	26 Å²	26	71.7 Å²	71.7	18%	0.182	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	149.3	171.2	49.8	0	0	0	0	110.3	V177 T182	S100-V177 PolarHBondContact N-O 3.07Å; S100-V177 PolarHBondContact O-N 3.48Å; S100-V177 PolarHBondContact OG-O 3.16Å; S100-T182 PolarHBondContact OG-OG1 2.95Å
101	G	82.1	Confident	75.8	Confident	33 Å²	33	64.3 Å²	64.3	34%	0.34	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	125.6	169.3	0	0	0	0	0	110	Y103 F175	G101-Y103 VanDerWaalsContact O-CD2 3.31Å; G101-Y103 WeakPolarHBondContact O-CD2 3.18Å; G101-Y103 WeakPolarHBondContact O-CE2 3.23Å; G101-F175 CarbonylContact C-O 3.49Å; G101-F175 WeakPolarHBondContact CA-O 3.29Å
102	A	87.6	Confident	76.2	Confident	12 Å²	12	68.4 Å²	68.4	10%	0.099	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	127.4	162.7	0	0	0	0	0	108.4	F104 F175 V177 M185	A102-F104 HydrophobicContact CB-CE2 4.01Å; A102-F175 HydrophobicContact CB-CB 4.32Å; A102-F175 PolarHBondContact N-O 3.25Å; A102-F175 PolarHBondContact O-N 3.01Å; A102-V177 HydrophobicContact CB-CG2 3.87Å; A102-M185 HydrophobicContact CB-SD 4.26Å
103	Y	89.1	Confident	77.3	Confident	34 Å²	34	63.2 Å²	63.2	13%	0.133	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	136.2	-173.3	-60.2	-94.7	0	0	0	109.2	G101 M173 V174 V226 R228 Y231	G101-Y103 VanDerWaalsContact O-CD2 3.31Å; G101-Y103 WeakPolarHBondContact O-CD2 3.18Å; G101-Y103 WeakPolarHBondContact O-CE2 3.23Å; Y103-M173 WeakPolarHBondContact CA-O 3.41Å; Y103-V174 HydrophobicContact CD1-CG1 4.36Å; Y103-V174 HydrophobicContact CD1-CG2 3.93Å; Y103-V174 HydrophobicContact CE1-CG1 4.09Å; Y103-V174 HydrophobicContact CE1-CG2 4.09Å; Y103-V226 VanDerWaalsContact C-CG2 3.5Å; Y103-V226 WeakPolarHBondContact O-CG2 3.39Å; Y103-V226 PolarHBondContact O-N 2.76Å; Y103-R228 HydrophobicContact CD2-CB 4.03Å; Y103-R228 HydrophobicContact CE2-CB 3.57Å; Y103-R228 HydrophobicContact CE2-CG 3.77Å; Y103-Y231 AromaticContact CD1-CD1 3.84Å; Y103-Y231 HydrophobicContact CD1-CD1 3.84Å; Y103-Y231 HydrophobicContact CD1-CD2 4.18Å; Y103-Y231 HydrophobicContact CD1-CE1 4.48Å; Y103-Y231 AromaticContact CD1-CG 3.65Å; Y103-Y231 HydrophobicContact CD1-CG 3.65Å; Y103-Y231 AromaticContact CE1-CD1 3.56Å; Y103-Y231 HydrophobicContact CE1-CD1 3.56Å; Y103-Y231 HydrophobicContact CE1-CE1 4.06Å; Y103-Y231 AromaticContact CE1-CG 3.9Å; Y103-Y231 HydrophobicContact CE1-CG 3.9Å
104	F	91.8	Very high	78.7	Confident	7 Å²	7	65.3 Å²	65.3	3%	0.031	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	138.3	177.5	-61	-93.6	0	0	0	110	A102 W172 M173 F175 M185 E187 I190 I223 N224	A102-F104 HydrophobicContact CB-CE2 4.01Å; F104-W172 CarbonylContact O-C 3.55Å; F104-W172 WeakPolarHBondContact O-CA 3.26Å; F104-M173 HydrophobicContact CB-CB 4.33Å; F104-M173 HydrophobicContact CB-CE 3.82Å; F104-M173 HydrophobicContact CG-CE 4.49Å; F104-M173 PolarHBondContact N-O 3.36Å; F104-M173 PolarHBondContact O-N 3.29Å; F104-F175 AromaticContact CD2-CD2 3.55Å; F104-F175 HydrophobicContact CD2-CD2 3.55Å; F104-F175 AromaticContact CD2-CE2 3.68Å; F104-F175 HydrophobicContact CD2-CE2 3.68Å; F104-F175 AromaticContact CE2-CD2 3.55Å; F104-F175 HydrophobicContact CE2-CD2 3.55Å; F104-F175 AromaticContact CE2-CE2 3.9Å; F104-F175 HydrophobicContact CE2-CE2 3.9Å; F104-F175 HydrophobicContact CE2-CG 4.45Å; F104-M185 HydrophobicContact CE2-CE 4.28Å; F104-M185 HydrophobicContact CE2-CG 4.44Å; F104-M185 HydrophobicContact CE2-SD 3.89Å; F104-M185 HydrophobicContact CZ-CG 3.92Å; F104-M185 HydrophobicContact CZ-SD 3.98Å; F104-E187 HydrophobicContact CD1-CG 4.49Å; F104-E187 HydrophobicContact CE1-CG 4.18Å; F104-I190 HydrophobicContact CE1-CG1 4.14Å; F104-I190 HydrophobicContact CE2-CG1 4.47Å; F104-I190 HydrophobicContact CZ-CG1 4.03Å; F104-I223 HydrophobicContact CB-CG2 3.95Å; F104-I223 HydrophobicContact CD1-CG2 4.08Å; F104-I223 HydrophobicContact CG-CG2 4.37Å; F104-N224 CarbonylContact C-O 3.56Å; F104-N224 VanDerWaalsContact CA-O 3.25Å; F104-N224 WeakPolarHBondContact CA-O 3.49Å
105	A	92.9	Very high	80.4	Confident	0 Å²	0	60 Å²	60	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	135.9	165.8	0	0	0	0	0	108.4	W172 I223 N224 V226 L304 M306	A105-W172 HydrophobicContact CB-CE3 3.89Å; A105-W172 HydrophobicContact CB-CH2 4.28Å; A105-W172 HydrophobicContact CB-CZ3 3.6Å; A105-I223 CarbonylContact O-C 3.49Å; A105-I223 WeakPolarHBondContact O-CA 2.99Å; A105-N224 PolarHBondContact N-O 3.47Å; A105-N224 PolarHBondContact O-N 3.24Å; A105-V226 HydrophobicContact CB-CG1 3.8Å; A105-L304 HydrophobicContact CB-CB 4.28Å; A105-L304 HydrophobicContact CB-CD1 4.21Å; A105-M306 HydrophobicContact CB-CG 3.8Å
106	G	93.3	Very high	82.3	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	154.6	177.8	0	0	0	0	0	112.1	F171 L222	G106-F171 PolarHBondContact N-O 3.32Å; G106-F171 VanDerWaalsContact O-CD1 3.26Å; G106-F171 WeakPolarHBondContact O-CD1 3.4Å; G106-F171 PolarHBondContact O-N 3.41Å; G106-L222 CarbonylContact C-O 3.45Å; G106-L222 VanDerWaalsContact CA-O 3.24Å; G106-L222 WeakPolarHBondContact CA-O 3.42Å
107	M	93.3	Very high	84.2	Confident	13 Å²	13	46.1 Å²	46.1	6%	0.064	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	148.7	168	71.1	-173.3	-68.5	0	0	111	L168 V169 I221 L222 M306 R309	M107-L168 HydrophobicContact CE-CD1 3.8Å; M107-L168 HydrophobicContact CE-CD2 3.89Å; M107-L168 HydrophobicContact CE-CG 4.23Å; M107-V169 WeakPolarHBondContact CA-O 3.43Å; M107-I221 WeakPolarHBondContact O-CA 3.42Å; M107-L222 HydrophobicContact CG-CB 3.96Å; M107-L222 PolarHBondContact N-O 2.96Å; M107-L222 PolarHBondContact O-N 2.78Å; M107-L222 HydrophobicContact SD-CB 4.42Å; M107-L222 HydrophobicContact SD-CD2 4.32Å; M107-M306 HydrophobicContact CB-CE 4.2Å; M107-M306 HydrophobicContact CB-SD 3.97Å; M107-M306 HydrophobicContact CG-CE 3.82Å; M107-M306 HydrophobicContact CG-SD 3.97Å; M107-M306 HydrophobicContact SD-CE 4.18Å; M107-M306 HydrophobicContact SD-SD 3.92Å; M107-R309 HydrophobicContact SD-CG 4.04Å; M107-R309 PolarHBondContact SD-NE 3.26Å; M107-R309 VanDerWaalsContact SD-NE 3.37Å
108	F	92.9	Very high	86.1	Confident	2 Å²	2	45 Å²	45	1%	0.009	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	160	165.5	63.7	-95.2	0	0	0	110.4	V110 I134 V138 V169 F171 L194 V216 I221	F108-V110 HydrophobicContact CD2-CG2 4.22Å; F108-V110 HydrophobicContact CE2-CG2 3.72Å; F108-I134 HydrophobicContact CE1-CG2 4.45Å; F108-I134 HydrophobicContact CE2-CG2 4.43Å; F108-I134 HydrophobicContact CZ-CG2 3.61Å; F108-V138 HydrophobicContact CE1-CG2 4.04Å; F108-V138 HydrophobicContact CZ-CG2 4.19Å; F108-V169 HydrophobicContact CD2-CB 4.48Å; F108-V169 HydrophobicContact CD2-CG2 4.39Å; F108-V169 HydrophobicContact CE1-CB 4.38Å; F108-V169 HydrophobicContact CE1-CG1 4.35Å; F108-V169 HydrophobicContact CE2-CB 4.23Å; F108-V169 HydrophobicContact CE2-CG2 3.94Å; F108-V169 HydrophobicContact CZ-CB 4.17Å; F108-V169 HydrophobicContact CZ-CG1 4.22Å; F108-V169 HydrophobicContact CZ-CG2 4.21Å; F108-V169 PolarHBondContact N-O 2.8Å; F108-V169 VanDerWaalsContact N-O 3.16Å; F108-V169 PolarHBondContact O-N 3.31Å; F108-F171 HydrophobicContact CD1-CD1 4.12Å; F108-F171 AromaticContact CD1-CE1 3.4Å; F108-F171 HydrophobicContact CD1-CE1 3.4Å; F108-F171 VanDerWaalsContact CD1-CE1 3.4Å; F108-F171 HydrophobicContact CD1-CZ 4.07Å; F108-F171 AromaticContact CE1-CD1 3.91Å; F108-F171 HydrophobicContact CE1-CD1 3.91Å; F108-F171 AromaticContact CE1-CE1 3.52Å; F108-F171 HydrophobicContact CE1-CE1 3.52Å; F108-F171 HydrophobicContact CE1-CZ 4.09Å; F108-L194 HydrophobicContact CD1-CD2 4.49Å; F108-V216 HydrophobicContact CB-CG1 4.27Å; F108-V216 HydrophobicContact CD2-CG1 3.81Å; F108-V216 HydrophobicContact CD2-CG2 4.12Å; F108-V216 HydrophobicContact CE2-CG2 4.06Å; F108-V216 HydrophobicContact CG-CG1 4.24Å; F108-I221 HydrophobicContact CB-CG1 3.79Å
109	R	91.5	Very high	87.6	Confident	34 Å²	34	43.5 Å²	43.5	13%	0.128	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	125.9	179	-174.2	178.9	78.5	107.5	-3.3	110.4	N162 K164 G165 L168 D217 S220	R109-N162 WeakPolarHBondContact CD-ND2 3.32Å; R109-K164 PolarHBondContact NH1-O 2.77Å; R109-G165 WeakPolarHBondContact CD-O 3.16Å; R109-G165 PolarHBondContact NH1-O 2.91Å; R109-L168 HydrophobicContact CB-CD1 4.16Å; R109-D217 HydrophobicContact CB-CB 4.21Å; R109-D217 IonicContact CZ-OD2 3.75Å; R109-D217 VanDerWaalsContact CZ-OD2 3.29Å; R109-D217 IonicContact NE-OD2 3.2Å; R109-D217 PolarHBondContact NE-OD2 3.5Å; R109-D217 IonicContact NH2-OD2 3.9Å; R109-D217 PolarHBondContact NH2-OD2 2.8Å; R109-D217 PolarHBondContact O-N 3.01Å; R109-S220 WeakPolarHBondContact CB-OG 3.37Å; R109-S220 PolarHBondContact N-OG 3.23Å
110	V	92.1	Very high	88.4	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	110.3	165.2	-176.7	0	0	0	0	107.5	F108 V113 G166 V167 V169 L214 P215	F108-V110 HydrophobicContact CD2-CG2 4.22Å; F108-V110 HydrophobicContact CE2-CG2 3.72Å; V110-V113 HydrophobicContact CG1-CB 4.18Å; V110-V113 HydrophobicContact CG1-CG2 3.64Å; V110-G166 CarbonylContact O-C 3.56Å; V110-G166 WeakPolarHBondContact O-CA 3.31Å; V110-V167 PolarHBondContact N-O 2.82Å; V110-V167 PolarHBondContact O-N 3.46Å; V110-V169 HydrophobicContact CG2-CG2 3.8Å; V110-L214 HydrophobicContact CG1-CD2 4.44Å; V110-P215 CarbonylContact C-O 3.58Å; V110-P215 VanDerWaalsContact CA-O 3.23Å; V110-P215 WeakPolarHBondContact CA-O 3.16Å; V110-P215 HydrophobicContact CG1-CG 4.24Å; V110-P215 WeakPolarHBondContact CG1-O 3.49Å
111	A	86.6	Confident	88.9	Confident	2 Å²	2	45.2 Å²	45.2	2%	0.017	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	165.3	178.3	0	0	0	0	0	110.8	V113 V208 P215	A111-V113 PolarHBondContact O-N 3.19Å; A111-V208 HydrophobicContact CB-CG1 3.82Å; A111-V208 HydrophobicContact CB-CG2 3.94Å; A111-P215 HydrophobicContact CB-CB 4.45Å; A111-P215 PolarHBondContact N-O 3.15Å; A111-P215 WeakPolarHBondContact O-CG 3.38Å
112	N	84	Confident	89	Confident	146 Å²	146	45.9 Å²	45.9	78%	0.781	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	19	173.6	-54.4	-17	0	0	0	116	P215	N112-P215 HydrophobicContact CB-CG 4.38Å
113	V	87	Confident	88.9	Confident	39 Å²	39	54.2 Å²	54.2	24%	0.236	27%	0.27	C	S	.	.			trans	-122.8	125.6	173.2	178.6	0	0	0	0	107.9	V110 A111 M130 G166 V167	V110-V113 HydrophobicContact CG1-CB 4.18Å; V110-V113 HydrophobicContact CG1-CG2 3.64Å; A111-V113 PolarHBondContact O-N 3.19Å; V113-M130 HydrophobicContact CG1-CE 3.61Å; V113-G166 CarbonylContact O-C 3.59Å; V113-G166 WeakPolarHBondContact O-CA 3.47Å; V113-V167 HydrophobicContact CB-CG2 4.22Å; V113-V167 HydrophobicContact CG1-CG2 3.75Å
114	E	87.8	Confident	89.2	Confident	164 Å²	164	53.2 Å²	53.2	77%	0.766	27%	0.268	S	S	*	.			trans	-75.5	140.1	178.6	-168.3	171.9	-178.1	0	0	111.2
115	F	88.7	Confident	89.3	Confident	21 Å²	21	59.7 Å²	59.7	9%	0.092	30%	0.297	C	S	.	.			trans	-80	123.3	173.2	179.4	-90.8	0	0	0	110.2	Y119 R120 L159 S160 N161 V167	F115-Y119 AromaticContact CD2-CD2 3.93Å; F115-Y119 HydrophobicContact CD2-CD2 3.93Å; F115-Y119 HydrophobicContact CE2-CD2 4.17Å; F115-Y119 HydrophobicContact CE2-CG 4.47Å; F115-R120 HydrophobicContact CE1-CG 4.24Å; F115-R120 HydrophobicContact CZ-CG 3.73Å; F115-L159 WeakPolarHBondContact CE2-O 3.45Å; F115-S160 VanDerWaalsContact CD2-O 3.29Å; F115-S160 WeakPolarHBondContact CD2-O 3.09Å; F115-S160 VanDerWaalsContact CE2-C 3.43Å; F115-N161 HydrophobicContact CB-CB 3.79Å; F115-N161 HydrophobicContact CD1-CB 4.04Å; F115-N161 HydrophobicContact CD2-CB 4.03Å; F115-N161 HydrophobicContact CG-CB 3.67Å; F115-V167 HydrophobicContact CB-CG2 4.43Å
116	I	89.9	Confident	89.4	Confident	52 Å²	52	63.3 Å²	63.3	27%	0.267	31%	0.314	S	S	.	.			trans	-104.8	146.6	174.7	63.8	177.9	0	0	0	111.1	E118 Y119 E126	I116-E118 WeakPolarHBondContact CB-OE2 3.44Å; I116-E118 HydrophobicContact CD1-CB 4.42Å; I116-E118 HydrophobicContact CG1-CB 4.46Å; I116-E118 PolarHBondContact O-N 2.89Å; I116-E118 VanDerWaalsContact O-N 3.15Å; I116-Y119 HydrophobicContact CD1-CD1 4.28Å; I116-Y119 HydrophobicContact CD1-CE1 3.88Å; I116-Y119 HydrophobicContact CD1-CE2 4.29Å; I116-Y119 HydrophobicContact CG1-CD1 3.92Å; I116-Y119 HydrophobicContact CG1-CD2 3.68Å; I116-Y119 HydrophobicContact CG1-CE1 3.87Å; I116-Y119 HydrophobicContact CG1-CE2 3.61Å; I116-Y119 HydrophobicContact CG1-CG 3.83Å; I116-Y119 WeakPolarHBondContact O-CB 3.47Å; I116-Y119 PolarHBondContact O-N 3.23Å; I116-Y119 VanDerWaalsContact O-N 3.12Å; I116-E126 HydrophobicContact CD1-CB 3.89Å; I116-E126 HydrophobicContact CD1-CG 3.74Å
117	P	86.1	Confident	89.4	Confident	75 Å²	75	64 Å²	64	49%	0.487	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-56.7	-29.7	-176.2	-26.3	35.7	0	0	0	115.1	Y119 R120	P117-Y119 PolarHBondContact O-N 3.38Å; P117-R120 WeakPolarHBondContact O-CB 3.36Å; P117-R120 WeakPolarHBondContact O-CG 3.4Å; P117-R120 PolarHBondContact O-N 3.37Å; P117-R120 VanDerWaalsContact O-N 3.08Å
118	E	90.1	Very high	89.4	Confident	82 Å²	82	66.7 Å²	66.7	38%	0.383	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-61.1	-29.3	-179.9	-64	70	-152.8	0	0	111.4	I116 R120 Q121 S124 E126	I116-E118 WeakPolarHBondContact CB-OE2 3.44Å; I116-E118 HydrophobicContact CD1-CB 4.42Å; I116-E118 HydrophobicContact CG1-CB 4.46Å; I116-E118 PolarHBondContact O-N 2.89Å; I116-E118 VanDerWaalsContact O-N 3.15Å; E118-R120 PolarHBondContact O-N 3.17Å; E118-R120 VanDerWaalsContact O-N 3.1Å; E118-Q121 PolarHBondContact O-N 2.99Å; E118-Q121 VanDerWaalsContact O-N 3.1Å; E118-S124 WeakPolarHBondContact O-CB 3.45Å; E118-S124 PolarHBondContact O-OG 3.21Å; E118-E126 HydrophobicContact CB-CB 3.9Å; E118-E126 HydrophobicContact CB-CG 3.96Å; E118-E126 HydrophobicContact CG-CG 4.3Å
119	Y	90.3	Very high	89.5	Confident	28 Å²	28	69.7 Å²	69.7	11%	0.11	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-62.4	-15.6	175.4	-68	-24.4	0	0	0	114.1	F115 I116 P117 Q121 E126 F127 M130 L159 V167	F115-Y119 AromaticContact CD2-CD2 3.93Å; F115-Y119 HydrophobicContact CD2-CD2 3.93Å; F115-Y119 HydrophobicContact CE2-CD2 4.17Å; F115-Y119 HydrophobicContact CE2-CG 4.47Å; I116-Y119 HydrophobicContact CD1-CD1 4.28Å; I116-Y119 HydrophobicContact CD1-CE1 3.88Å; I116-Y119 HydrophobicContact CD1-CE2 4.29Å; I116-Y119 HydrophobicContact CG1-CD1 3.92Å; I116-Y119 HydrophobicContact CG1-CD2 3.68Å; I116-Y119 HydrophobicContact CG1-CE1 3.87Å; I116-Y119 HydrophobicContact CG1-CE2 3.61Å; I116-Y119 HydrophobicContact CG1-CG 3.83Å; I116-Y119 WeakPolarHBondContact O-CB 3.47Å; I116-Y119 PolarHBondContact O-N 3.23Å; I116-Y119 VanDerWaalsContact O-N 3.12Å; P117-Y119 PolarHBondContact O-N 3.38Å; Y119-Q121 VanDerWaalsContact C-N 3.3Å; Y119-E126 HydrophobicContact CD1-CB 4.04Å; Y119-E126 HydrophobicContact CE1-CB 3.88Å; Y119-E126 WeakPolarHBondContact CE1-O 3.33Å; Y119-F127 VanDerWaalsContact O-CD2 3.28Å; Y119-F127 WeakPolarHBondContact O-CD2 3.24Å; Y119-M130 HydrophobicContact CE1-CB 3.87Å; Y119-M130 HydrophobicContact CE1-CG 4.43Å; Y119-L159 HydrophobicContact CD1-CD1 4.06Å; Y119-L159 HydrophobicContact CG-CB 4.46Å; Y119-L159 HydrophobicContact CG-CD1 4.12Å; Y119-V167 HydrophobicContact CD2-CG2 4.26Å; Y119-V167 HydrophobicContact CE2-CG2 3.91Å
120	R	84.6	Confident	89.6	Confident	71 Å²	71	69.1 Å²	69.1	27%	0.268	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-72	-27.1	175.3	-62.4	-177.2	-173	140.4	-2.3	112.7	F115 P117 E118 Y245	F115-R120 HydrophobicContact CE1-CG 4.24Å; F115-R120 HydrophobicContact CZ-CG 3.73Å; P117-R120 WeakPolarHBondContact O-CB 3.36Å; P117-R120 WeakPolarHBondContact O-CG 3.4Å; P117-R120 PolarHBondContact O-N 3.37Å; P117-R120 VanDerWaalsContact O-N 3.08Å; E118-R120 PolarHBondContact O-N 3.17Å; E118-R120 VanDerWaalsContact O-N 3.1Å; R120-Y245 VanDerWaalsContact NH1-CZ 3.33Å; R120-Y245 PolarHBondContact NH1-OH 3.42Å; R120-Y245 PolarHBondContact NH2-OH 3.09Å
121	Q	86	Confident	89.7	Confident	135 Å²	135	69.5 Å²	69.5	63%	0.631	36%	0.358	S	S	*	.	S	Bend	trans	-96.4	115.4	-176.7	-64	179.5	4.5	0	0	108.8	E118 Y119 E123 S124 F127	E118-Q121 PolarHBondContact O-N 2.99Å; E118-Q121 VanDerWaalsContact O-N 3.1Å; Y119-Q121 VanDerWaalsContact C-N 3.3Å; Q121-E123 PolarHBondContact O-N 2.75Å; Q121-E123 VanDerWaalsContact O-N 3.13Å; Q121-S124 WeakPolarHBondContact O-CB 3.44Å; Q121-S124 PolarHBondContact O-N 3.05Å; Q121-S124 VanDerWaalsContact O-N 3.07Å; Q121-S124 PolarHBondContact O-OG 3.05Å; Q121-F127 VanDerWaalsContact O-CB 3.29Å; Q121-F127 WeakPolarHBondContact O-CB 3.39Å
122	A	83.6	Confident	90.1	Very high	46 Å²	46	72.6 Å²	72.6	38%	0.38	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-19.2	-177.8	0	0	0	0	0	113.3	F127	A122-F127 HydrophobicContact CB-CD1 4.32Å; A122-F127 HydrophobicContact CB-CE1 4.04Å; A122-F127 HydrophobicContact CB-CZ 4.36Å; A122-F127 WeakPolarHBondContact O-CD1 3.39Å
123	E	86.4	Confident	90.5	Very high	188 Å²	188	70.4 Å²	70.4	88%	0.879	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-9	179	-62.1	175.6	-170.4	0	0	113.1	Q121	Q121-E123 PolarHBondContact O-N 2.75Å; Q121-E123 VanDerWaalsContact O-N 3.13Å
124	S	93.6	Very high	90.9	Very high	13 Å²	13	68.6 Å²	68.6	9%	0.091	35%	0.349	C	S	.	.	S	Bend	trans	-68.8	146.3	-179.8	74.3	0	0	0	0	111.2	E118 Q121 E126 F127 V128	E118-S124 WeakPolarHBondContact O-CB 3.45Å; E118-S124 PolarHBondContact O-OG 3.21Å; Q121-S124 WeakPolarHBondContact O-CB 3.44Å; Q121-S124 PolarHBondContact O-N 3.05Å; Q121-S124 VanDerWaalsContact O-N 3.07Å; Q121-S124 PolarHBondContact O-OG 3.05Å; S124-E126 PolarHBondContact O-N 2.98Å; S124-F127 PolarHBondContact O-N 3.19Å; S124-F127 WeakPolarHBondContact OG-CB 3.18Å; S124-F127 PolarHBondContact OG-N 3.4Å; S124-F127 VanDerWaalsContact OG-N 3.07Å; S124-V128 WeakPolarHBondContact O-CG2 3.21Å; S124-V128 PolarHBondContact O-N 2.78Å
125	H	94.3	Very high	91.2	Very high	142 Å²	142	64 Å²	64	66%	0.657	33%	0.328	S	S	*	.	H	α-helix	trans	-61.6	-38.4	178.2	174.5	-94.7	0	0	0	111.2	V128 S129	H125-V128 PolarHBondContact O-N 3.37Å; H125-S129 VanDerWaalsContact O-CB 3.29Å; H125-S129 WeakPolarHBondContact O-CB 3.25Å; H125-S129 PolarHBondContact O-N 3.37Å
126	E	94.5	Very high	91.4	Very high	76 Å²	76	69.8 Å²	69.8	36%	0.355	36%	0.355	S	S	.	.	H	α-helix	trans	-61.3	-47.3	177.5	-66.2	69.9	-152.8	0	0	111.3	I116 E118 Y119 S124 M130	I116-E126 HydrophobicContact CD1-CB 3.89Å; I116-E126 HydrophobicContact CD1-CG 3.74Å; E118-E126 HydrophobicContact CB-CB 3.9Å; E118-E126 HydrophobicContact CB-CG 3.96Å; E118-E126 HydrophobicContact CG-CG 4.3Å; Y119-E126 HydrophobicContact CD1-CB 4.04Å; Y119-E126 HydrophobicContact CE1-CB 3.88Å; Y119-E126 WeakPolarHBondContact CE1-O 3.33Å; S124-E126 PolarHBondContact O-N 2.98Å; E126-M130 PolarHBondContact O-N 3.04Å
127	F	94.1	Very high	91.5	Very high	15 Å²	15	68 Å²	68	7%	0.066	35%	0.346	C	S	.	.	H	α-helix	trans	-60.4	-51.5	175.9	175.5	-90.9	0	0	0	110.9	Y119 Q121 A122 S124 S129 M130 A131 L159	Y119-F127 VanDerWaalsContact O-CD2 3.28Å; Y119-F127 WeakPolarHBondContact O-CD2 3.24Å; Q121-F127 VanDerWaalsContact O-CB 3.29Å; Q121-F127 WeakPolarHBondContact O-CB 3.39Å; A122-F127 HydrophobicContact CB-CD1 4.32Å; A122-F127 HydrophobicContact CB-CE1 4.04Å; A122-F127 HydrophobicContact CB-CZ 4.36Å; A122-F127 WeakPolarHBondContact O-CD1 3.39Å; S124-F127 PolarHBondContact O-N 3.19Å; S124-F127 WeakPolarHBondContact OG-CB 3.18Å; S124-F127 PolarHBondContact OG-N 3.4Å; S124-F127 VanDerWaalsContact OG-N 3.07Å; F127-S129 VanDerWaalsContact C-N 3.31Å; F127-S129 PolarHBondContact O-N 2.73Å; F127-M130 PolarHBondContact O-N 3.18Å; F127-A131 HydrophobicContact CD1-CB 4.35Å; F127-A131 HydrophobicContact CE1-CB 4.12Å; F127-A131 HydrophobicContact CZ-CB 4.38Å; F127-A131 WeakPolarHBondContact O-CB 3.36Å; F127-A131 PolarHBondContact O-N 3.47Å; F127-L159 HydrophobicContact CD2-CB 4.15Å; F127-L159 HydrophobicContact CD2-CD1 3.73Å; F127-L159 HydrophobicContact CD2-CG 3.83Å; F127-L159 HydrophobicContact CE2-CB 4.14Å; F127-L159 HydrophobicContact CE2-CD1 4.09Å; F127-L159 HydrophobicContact CE2-CG 3.72Å
128	V	94.3	Very high	91.8	Very high	70 Å²	70	64.4 Å²	64.4	42%	0.424	32%	0.323	S	S	.	.	H	α-helix	trans	-60.2	-42.6	-177.4	174.2	0	0	0	0	111	S124 H125 T132	S124-V128 WeakPolarHBondContact O-CG2 3.21Å; S124-V128 PolarHBondContact O-N 2.78Å; H125-V128 PolarHBondContact O-N 3.37Å; V128-T132 HydrophobicContact CG1-CG2 4.3Å; V128-T132 WeakPolarHBondContact O-CB 3.26Å; V128-T132 WeakPolarHBondContact O-CG2 3.19Å; V128-T132 PolarHBondContact O-N 2.78Å; V128-T132 PolarHBondContact O-OG1 3.37Å
129	S	94.6	Very high	91.9	Very high	65 Å²	65	61.1 Å²	61.1	46%	0.455	31%	0.309	S	S	.	.	H	α-helix	trans	-61.7	-50.5	177.4	-179.4	0	0	0	0	112.4	H125 F127 T132 K133	H125-S129 VanDerWaalsContact O-CB 3.29Å; H125-S129 WeakPolarHBondContact O-CB 3.25Å; H125-S129 PolarHBondContact O-N 3.37Å; F127-S129 VanDerWaalsContact C-N 3.31Å; F127-S129 PolarHBondContact O-N 2.73Å; S129-T132 PolarHBondContact O-OG1 3.1Å; S129-K133 PolarHBondContact O-N 3.14Å; S129-K133 VanDerWaalsContact O-N 3.15Å
130	M	93.6	Very high	92	Very high	22 Å²	22	61.5 Å²	61.5	11%	0.108	32%	0.316	C	S	.	.	H	α-helix	trans	-66.9	-43.6	178.9	-179.3	58.8	100.8	0	0	111.7	V113 Y119 E126 F127 T132 K133 I134 L159	V113-M130 HydrophobicContact CG1-CE 3.61Å; Y119-M130 HydrophobicContact CE1-CB 3.87Å; Y119-M130 HydrophobicContact CE1-CG 4.43Å; E126-M130 PolarHBondContact O-N 3.04Å; F127-M130 PolarHBondContact O-N 3.18Å; M130-T132 PolarHBondContact O-N 2.96Å; M130-K133 PolarHBondContact O-N 3.42Å; M130-I134 HydrophobicContact CG-CD1 3.68Å; M130-I134 HydrophobicContact CG-CG1 4.45Å; M130-I134 WeakPolarHBondContact O-CD1 3.15Å; M130-I134 VanDerWaalsContact O-CG1 3.29Å; M130-I134 WeakPolarHBondContact O-CG1 3.35Å; M130-I134 PolarHBondContact O-N 3.28Å; M130-I134 HydrophobicContact SD-CD1 3.83Å; M130-I134 HydrophobicContact SD-CG1 4.09Å; M130-L159 HydrophobicContact CB-CD1 3.89Å; M130-L159 HydrophobicContact CG-CD1 3.72Å
131	A	94.2	Very high	92.3	Very high	8 Å²	8	58.4 Å²	58.4	7%	0.066	31%	0.305	C	S	.	.	H	α-helix	trans	-60.1	-45.4	178.9	0	0	0	0	0	111.8	F127 I134 Q135 I156	F127-A131 HydrophobicContact CD1-CB 4.35Å; F127-A131 HydrophobicContact CE1-CB 4.12Å; F127-A131 HydrophobicContact CZ-CB 4.38Å; F127-A131 WeakPolarHBondContact O-CB 3.36Å; F127-A131 PolarHBondContact O-N 3.47Å; A131-I134 PolarHBondContact O-N 2.9Å; A131-Q135 WeakPolarHBondContact O-CB 3.29Å; A131-Q135 PolarHBondContact O-N 2.93Å; A131-I156 HydrophobicContact CB-CB 3.86Å; A131-I156 HydrophobicContact CB-CG1 4.06Å; A131-I156 HydrophobicContact CB-CG2 4.08Å; A131-I156 WeakPolarHBondContact O-CG1 3.27Å
132	T	94.6	Very high	92.6	Very high	66 Å²	66	52 Å²	52	41%	0.405	28%	0.275	S	S	.	.	H	α-helix	trans	-64.6	-42	178	51.1	0	0	0	0	112.1	V128 S129 M130 I134 Q135 Q136	V128-T132 HydrophobicContact CG1-CG2 4.3Å; V128-T132 WeakPolarHBondContact O-CB 3.26Å; V128-T132 WeakPolarHBondContact O-CG2 3.19Å; V128-T132 PolarHBondContact O-N 2.78Å; V128-T132 PolarHBondContact O-OG1 3.37Å; S129-T132 PolarHBondContact O-OG1 3.1Å; M130-T132 PolarHBondContact O-N 2.96Å; T132-I134 PolarHBondContact O-N 3.48Å; T132-Q135 PolarHBondContact O-N 2.82Å; T132-Q136 WeakPolarHBondContact O-CG 3.26Å; T132-Q136 PolarHBondContact O-N 3.48Å
133	K	93.4	Very high	93.1	Very high	101 Å²	101	57.5 Å²	57.5	44%	0.439	29%	0.286	S	S	.	.	H	α-helix	trans	-57.5	-50	173.7	-175.6	178.9	-178.6	179.1	0	111.4	S129 M130 Q136 V137 L214	S129-K133 PolarHBondContact O-N 3.14Å; S129-K133 VanDerWaalsContact O-N 3.15Å; M130-K133 PolarHBondContact O-N 3.42Å; K133-Q136 PolarHBondContact O-N 2.89Å; K133-V137 WeakPolarHBondContact O-CG2 3.2Å; K133-V137 PolarHBondContact O-N 3.35Å; K133-L214 HydrophobicContact CD-CD2 4.34Å
134	I	93.8	Very high	93.2	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-65.7	-42.7	-179.8	-63.1	160.7	0	0	0	111	F108 M130 A131 T132 Q136 V137 V138 I156 L159 V169 L214	F108-I134 HydrophobicContact CE1-CG2 4.45Å; F108-I134 HydrophobicContact CE2-CG2 4.43Å; F108-I134 HydrophobicContact CZ-CG2 3.61Å; M130-I134 HydrophobicContact CG-CD1 3.68Å; M130-I134 HydrophobicContact CG-CG1 4.45Å; M130-I134 WeakPolarHBondContact O-CD1 3.15Å; M130-I134 VanDerWaalsContact O-CG1 3.29Å; M130-I134 WeakPolarHBondContact O-CG1 3.35Å; M130-I134 PolarHBondContact O-N 3.28Å; M130-I134 HydrophobicContact SD-CD1 3.83Å; M130-I134 HydrophobicContact SD-CG1 4.09Å; A131-I134 PolarHBondContact O-N 2.9Å; T132-I134 PolarHBondContact O-N 3.48Å; I134-Q136 VanDerWaalsContact C-N 3.3Å; I134-Q136 PolarHBondContact O-N 2.88Å; I134-V137 PolarHBondContact O-N 3.4Å; I134-V138 HydrophobicContact CG2-CG2 4.14Å; I134-V138 WeakPolarHBondContact O-CG2 3.42Å; I134-V138 PolarHBondContact O-N 3.47Å; I134-I156 HydrophobicContact CB-CD1 4.26Å; I134-I156 HydrophobicContact CB-CG1 4.47Å; I134-I156 HydrophobicContact CG2-CD1 3.84Å; I134-L159 HydrophobicContact CD1-CD2 3.99Å; I134-V169 HydrophobicContact CD1-CG1 4.29Å; I134-V169 HydrophobicContact CD1-CG2 3.66Å; I134-V169 HydrophobicContact CG2-CG1 4.07Å; I134-L214 HydrophobicContact CG1-CD1 4.12Å
135	Q	94.4	Very high	93.1	Very high	69 Å²	69	54.6 Å²	54.6	32%	0.322	28%	0.281	S	S	.	.	H	α-helix	trans	-59.6	-41	179.1	-174.8	171.8	-49.9	0	0	111.9	A131 T132 S139 A154 I156	A131-Q135 WeakPolarHBondContact O-CB 3.29Å; A131-Q135 PolarHBondContact O-N 2.93Å; T132-Q135 PolarHBondContact O-N 2.82Å; Q135-S139 WeakPolarHBondContact O-CB 3.29Å; Q135-S139 PolarHBondContact O-N 2.8Å; Q135-S139 PolarHBondContact O-OG 3.37Å; Q135-A154 VanDerWaalsContact CG-O 3.26Å; Q135-A154 WeakPolarHBondContact CG-O 3.32Å; Q135-A154 PolarHBondContact NE2-O 2.87Å; Q135-A154 PolarHBondContact OE1-O 3.15Å; Q135-I156 HydrophobicContact CB-CG1 4.18Å
136	Q	93.2	Very high	92.8	Very high	141 Å²	141	52.6 Å²	52.6	66%	0.659	28%	0.283	S	S	*	.	H	α-helix	trans	-62.7	-44.8	175.6	-75.1	175.1	-9.8	0	0	111.6	T132 K133 I134 S139 S140	T132-Q136 WeakPolarHBondContact O-CG 3.26Å; T132-Q136 PolarHBondContact O-N 3.48Å; K133-Q136 PolarHBondContact O-N 2.89Å; I134-Q136 VanDerWaalsContact C-N 3.3Å; I134-Q136 PolarHBondContact O-N 2.88Å; Q136-S139 PolarHBondContact O-N 2.98Å; Q136-S140 WeakPolarHBondContact O-CB 3.48Å; Q136-S140 PolarHBondContact O-N 3.41Å
137	V	91.3	Very high	92.5	Very high	14 Å²	14	49.4 Å²	49.4	9%	0.085	27%	0.269	C	S	.	.	H	α-helix	trans	-62.7	-51	178.5	171.1	0	0	0	0	111.1	K133 I134 S139 S140 V141 L211 H212 L214	K133-V137 WeakPolarHBondContact O-CG2 3.2Å; K133-V137 PolarHBondContact O-N 3.35Å; I134-V137 PolarHBondContact O-N 3.4Å; V137-S139 VanDerWaalsContact C-N 3.3Å; V137-S139 PolarHBondContact O-N 2.91Å; V137-S140 WeakPolarHBondContact O-CB 3.48Å; V137-S140 PolarHBondContact O-N 3.38Å; V137-V141 WeakPolarHBondContact O-CG2 3.37Å; V137-V141 PolarHBondContact O-N 2.92Å; V137-L211 HydrophobicContact CG1-CB 4.08Å; V137-L211 HydrophobicContact CG1-CD2 3.55Å; V137-L211 HydrophobicContact CG1-CG 3.48Å; V137-L211 VanDerWaalsContact CG1-CG 3.48Å; V137-L211 WeakPolarHBondContact CG1-O 3.3Å; V137-H212 HydrophobicContact CG1-CB 4.16Å; V137-H212 HydrophobicContact CG2-CB 4.02Å; V137-L214 HydrophobicContact CB-CD1 3.86Å; V137-L214 HydrophobicContact CG1-CD1 4.05Å; V137-L214 HydrophobicContact CG2-CD1 3.64Å; V137-L214 HydrophobicContact CG2-CG 4.35Å
138	V	92.3	Very high	92.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61	-41.3	177.8	175.9	0	0	0	0	110.9	F108 I134 S140 V141 Y142 A154 F171	F108-V138 HydrophobicContact CE1-CG2 4.04Å; F108-V138 HydrophobicContact CZ-CG2 4.19Å; I134-V138 HydrophobicContact CG2-CG2 4.14Å; I134-V138 WeakPolarHBondContact O-CG2 3.42Å; I134-V138 PolarHBondContact O-N 3.47Å; V138-S140 VanDerWaalsContact C-N 3.34Å; V138-S140 PolarHBondContact O-N 2.88Å; V138-V141 PolarHBondContact O-N 2.92Å; V138-Y142 HydrophobicContact CG1-CD2 3.99Å; V138-Y142 HydrophobicContact CG1-CE2 3.87Å; V138-Y142 VanDerWaalsContact O-CD2 3.3Å; V138-Y142 WeakPolarHBondContact O-CD2 3.36Å; V138-Y142 PolarHBondContact O-N 3.37Å; V138-A154 HydrophobicContact CG1-CB 3.93Å; V138-F171 HydrophobicContact CG1-CD2 4.4Å; V138-F171 HydrophobicContact CG1-CE2 4.13Å
139	S	93.3	Very high	92	Very high	13 Å²	13	59 Å²	59	9%	0.091	31%	0.305	C	S	.	.	H	α-helix	trans	-64.4	-38.3	177.7	-60.7	0	0	0	0	112.5	Q135 Q136 V137 R143 Y151	Q135-S139 WeakPolarHBondContact O-CB 3.29Å; Q135-S139 PolarHBondContact O-N 2.8Å; Q135-S139 PolarHBondContact O-OG 3.37Å; Q136-S139 PolarHBondContact O-N 2.98Å; V137-S139 VanDerWaalsContact C-N 3.3Å; V137-S139 PolarHBondContact O-N 2.91Å; S139-R143 VanDerWaalsContact O-CB 3.23Å; S139-R143 WeakPolarHBondContact O-CB 3.39Å; S139-R143 WeakPolarHBondContact O-CG 3.35Å; S139-R143 PolarHBondContact O-N 3.36Å; S139-Y151 WeakPolarHBondContact CA-OH 3.22Å; S139-Y151 PolarHBondContact OG-OH 2.92Å; S139-Y151 VanDerWaalsContact OG-OH 3.08Å
140	S	91.6	Very high	91.7	Very high	37 Å²	37	58.8 Å²	58.8	26%	0.259	30%	0.299	S	S	.	.	H	α-helix	trans	-60.4	-45.6	177.3	-172.7	0	0	0	0	111.3	Q136 V137 V138 Y142 R143 T144	Q136-S140 WeakPolarHBondContact O-CB 3.48Å; Q136-S140 PolarHBondContact O-N 3.41Å; V137-S140 WeakPolarHBondContact O-CB 3.48Å; V137-S140 PolarHBondContact O-N 3.38Å; V138-S140 VanDerWaalsContact C-N 3.34Å; V138-S140 PolarHBondContact O-N 2.88Å; S140-Y142 PolarHBondContact O-N 2.82Å; S140-R143 PolarHBondContact O-N 2.98Å; S140-T144 WeakPolarHBondContact O-CB 3.39Å; S140-T144 WeakPolarHBondContact O-CG2 3.47Å; S140-T144 PolarHBondContact O-N 3.15Å; S140-T144 VanDerWaalsContact O-N 3.07Å; S140-T144 PolarHBondContact O-OG1 3.38Å
141	V	91.4	Very high	91.6	Very high	5 Å²	5	58.7 Å²	58.7	3%	0.03	30%	0.298	C	S	.	.	H	α-helix	trans	-55.3	-55.8	177.3	171.1	0	0	0	0	111.3	V137 V138 R143 T144 S145 I193 L194 S197 L211	V137-V141 WeakPolarHBondContact O-CG2 3.37Å; V137-V141 PolarHBondContact O-N 2.92Å; V138-V141 PolarHBondContact O-N 2.92Å; V141-R143 PolarHBondContact O-N 3.33Å; V141-T144 PolarHBondContact O-N 3.06Å; V141-T144 PolarHBondContact O-OG1 3.37Å; V141-T144 VanDerWaalsContact O-OG1 3.05Å; V141-S145 WeakPolarHBondContact O-CB 3.33Å; V141-S145 PolarHBondContact O-N 3.43Å; V141-S145 VanDerWaalsContact O-N 3.15Å; V141-I193 HydrophobicContact CG1-CG2 4.11Å; V141-L194 HydrophobicContact CG1-CD1 4.21Å; V141-S197 VanDerWaalsContact CG1-OG 3.31Å; V141-S197 WeakPolarHBondContact CG1-OG 3.28Å; V141-L211 HydrophobicContact CG2-CD1 3.64Å; V141-L211 HydrophobicContact CG2-CD2 4.15Å; V141-L211 HydrophobicContact CG2-CG 4.1Å
142	Y	92.1	Very high	91.5	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-72.7	-31.2	-176	-70	-72.8	0	0	0	113.3	V138 S140 T144 S145 V147 A148 Y151 M173 F175 I190 I193 I223	V138-Y142 HydrophobicContact CG1-CD2 3.99Å; V138-Y142 HydrophobicContact CG1-CE2 3.87Å; V138-Y142 VanDerWaalsContact O-CD2 3.3Å; V138-Y142 WeakPolarHBondContact O-CD2 3.36Å; V138-Y142 PolarHBondContact O-N 3.37Å; S140-Y142 PolarHBondContact O-N 2.82Å; Y142-T144 VanDerWaalsContact C-N 3.26Å; Y142-T144 PolarHBondContact O-N 3.24Å; Y142-S145 PolarHBondContact O-N 3.16Å; Y142-S145 PolarHBondContact O-OG 3.45Å; Y142-V147 HydrophobicContact CD1-CG2 3.91Å; Y142-A148 VanDerWaalsContact O-CA 3.28Å; Y142-A148 WeakPolarHBondContact O-CA 3.38Å; Y142-A148 PolarHBondContact O-N 3.42Å; Y142-Y151 HydrophobicContact CD2-CD2 4.5Å; Y142-Y151 HydrophobicContact CD2-CE2 4.11Å; Y142-Y151 HydrophobicContact CG-CD2 4.09Å; Y142-Y151 HydrophobicContact CG-CE2 4.15Å; Y142-M173 HydrophobicContact CD2-SD 3.97Å; Y142-M173 HydrophobicContact CE1-SD 4.44Å; Y142-M173 HydrophobicContact CE2-CE 4.48Å; Y142-M173 HydrophobicContact CE2-SD 3.26Å; Y142-M173 WeakPolarHBondContact CE2-SD 3.45Å; Y142-M173 VanDerWaalsContact CZ-SD 3.53Å; Y142-F175 HydrophobicContact CD1-CE1 4.47Å; Y142-F175 HydrophobicContact CD1-CZ 4.08Å; Y142-F175 HydrophobicContact CE1-CZ 4.31Å; Y142-F175 HydrophobicContact CG-CZ 4.48Å; Y142-I190 HydrophobicContact CE1-CG2 3.73Å; Y142-I190 WeakPolarHBondContact OH-CG2 3.28Å; Y142-I190 PolarHBondContact OH-O 3.5Å; Y142-I190 VanDerWaalsContact OH-O 3.13Å; Y142-I193 HydrophobicContact CD1-CG2 4.01Å; Y142-I193 HydrophobicContact CE1-CB 4.19Å; Y142-I193 HydrophobicContact CE1-CG2 3.9Å; Y142-I223 WeakPolarHBondContact OH-CD1 3.34Å
143	R	93.6	Very high	91.4	Very high	163 Å²	163	63.8 Å²	63.8	62%	0.615	31%	0.314	S	S	*	.	H	α-helix	trans	-69.3	-20.6	174.5	-75.8	179	176.6	173.5	1	113.9	S139 S140 V141 A148 Y151	S139-R143 VanDerWaalsContact O-CB 3.23Å; S139-R143 WeakPolarHBondContact O-CB 3.39Å; S139-R143 WeakPolarHBondContact O-CG 3.35Å; S139-R143 PolarHBondContact O-N 3.36Å; S140-R143 PolarHBondContact O-N 2.98Å; V141-R143 PolarHBondContact O-N 3.33Å; R143-A148 WeakPolarHBondContact O-CB 3.04Å; R143-Y151 HydrophobicContact CG-CD1 3.87Å; R143-Y151 HydrophobicContact CG-CE1 4.1Å
144	T	89.7	Confident	91.4	Very high	114 Å²	114	59 Å²	59	70%	0.699	29%	0.293	S	S	*	.	H	α-helix	trans	-99.6	-7.9	176.5	52.8	0	0	0	0	113.2	S140 V141 Y142	S140-T144 WeakPolarHBondContact O-CB 3.39Å; S140-T144 WeakPolarHBondContact O-CG2 3.47Å; S140-T144 PolarHBondContact O-N 3.15Å; S140-T144 VanDerWaalsContact O-N 3.07Å; S140-T144 PolarHBondContact O-OG1 3.38Å; V141-T144 PolarHBondContact O-N 3.06Å; V141-T144 PolarHBondContact O-OG1 3.37Å; V141-T144 VanDerWaalsContact O-OG1 3.05Å; Y142-T144 VanDerWaalsContact C-N 3.26Å; Y142-T144 PolarHBondContact O-N 3.24Å
145	S	90.1	Very high	91.2	Very high	25 Å²	25	61.2 Å²	61.2	18%	0.175	31%	0.307	C	S	.	.	S	Bend	trans	-84.1	176.3	-179.2	77.7	0	0	0	0	114.2	V141 Y142 V147 A148	V141-S145 WeakPolarHBondContact O-CB 3.33Å; V141-S145 PolarHBondContact O-N 3.43Å; V141-S145 VanDerWaalsContact O-N 3.15Å; Y142-S145 PolarHBondContact O-N 3.16Å; Y142-S145 PolarHBondContact O-OG 3.45Å; S145-V147 PolarHBondContact O-N 3.34Å; S145-V147 WeakPolarHBondContact OG-CG2 3.36Å; S145-V147 PolarHBondContact OG-N 3.29Å; S145-A148 VanDerWaalsContact O-CB 3.29Å; S145-A148 WeakPolarHBondContact O-CB 3.36Å; S145-A148 PolarHBondContact O-N 3.5Å
146	S	87.9	Confident	91.2	Very high	100 Å²	100	58.5 Å²	58.5	70%	0.699	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-19.9	173.8	58.6	0	0	0	0	114.3
147	V	88.8	Confident	91.1	Very high	10 Å²	10	52.6 Å²	52.6	6%	0.061	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	8.4	178.7	-60.8	0	0	0	0	113.8	Y142 S145 R149 L150 Y151 F175 M185 F189 I190 I193	Y142-V147 HydrophobicContact CD1-CG2 3.91Å; S145-V147 PolarHBondContact O-N 3.34Å; S145-V147 WeakPolarHBondContact OG-CG2 3.36Å; S145-V147 PolarHBondContact OG-N 3.29Å; V147-R149 PolarHBondContact O-N 2.83Å; V147-L150 PolarHBondContact O-N 3.16Å; V147-Y151 PolarHBondContact O-N 3.26Å; V147-Y151 VanDerWaalsContact O-N 3.08Å; V147-F175 HydrophobicContact CB-CE1 4.2Å; V147-F175 HydrophobicContact CG2-CE1 3.73Å; V147-F175 HydrophobicContact CG2-CZ 4.44Å; V147-M185 HydrophobicContact CG1-CE 4.43Å; V147-F189 HydrophobicContact CG1-CD1 4.38Å; V147-F189 HydrophobicContact CG1-CE1 3.57Å; V147-F189 HydrophobicContact CG1-CZ 4.44Å; V147-I190 HydrophobicContact CG1-CD1 4.35Å; V147-I193 HydrophobicContact CG1-CD1 4.05Å; V147-I193 HydrophobicContact CG2-CD1 3.86Å
148	A	89.3	Confident	91.1	Very high	37 Å²	37	52.3 Å²	52.3	31%	0.306	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-36.5	-176.6	0	0	0	0	0	114.1	Y142 R143 S145 L150	Y142-A148 VanDerWaalsContact O-CA 3.28Å; Y142-A148 WeakPolarHBondContact O-CA 3.38Å; Y142-A148 PolarHBondContact O-N 3.42Å; R143-A148 WeakPolarHBondContact O-CB 3.04Å; S145-A148 VanDerWaalsContact O-CB 3.29Å; S145-A148 WeakPolarHBondContact O-CB 3.36Å; S145-A148 PolarHBondContact O-N 3.5Å; A148-L150 VanDerWaalsContact C-N 3.29Å; A148-L150 PolarHBondContact O-N 3.19Å
149	R	88.2	Confident	91.1	Very high	249 Å²	249	52.5 Å²	52.5	94%	0.94	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-21.8	179.4	-66.1	-178	67.7	162.1	1.5	114.1	V147	V147-R149 PolarHBondContact O-N 2.83Å
150	L	89.3	Confident	90.9	Very high	61 Å²	61	52.1 Å²	52.1	32%	0.319	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-24.1	-179.5	-56.3	175.7	0	0	0	111.4	V147 A148 K152 F175 I176	V147-L150 PolarHBondContact O-N 3.16Å; A148-L150 VanDerWaalsContact C-N 3.29Å; A148-L150 PolarHBondContact O-N 3.19Å; L150-K152 PolarHBondContact O-N 2.85Å; L150-F175 HydrophobicContact CB-CD1 4.16Å; L150-F175 CarbonylContact O-C 3.46Å; L150-F175 WeakPolarHBondContact O-CA 3.4Å; L150-I176 WeakPolarHBondContact CD2-O 3.45Å; L150-I176 PolarHBondContact O-N 3.43Å
151	Y	91.4	Very high	90.7	Very high	20 Å²	20	51.4 Å²	51.4	8%	0.078	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	127.3	-176.6	178.9	-102.7	0	0	0	111.9	S139 Y142 R143 V147 Q153 A154 F175	S139-Y151 WeakPolarHBondContact CA-OH 3.22Å; S139-Y151 PolarHBondContact OG-OH 2.92Å; S139-Y151 VanDerWaalsContact OG-OH 3.08Å; Y142-Y151 HydrophobicContact CD2-CD2 4.5Å; Y142-Y151 HydrophobicContact CD2-CE2 4.11Å; Y142-Y151 HydrophobicContact CG-CD2 4.09Å; Y142-Y151 HydrophobicContact CG-CE2 4.15Å; R143-Y151 HydrophobicContact CG-CD1 3.87Å; R143-Y151 HydrophobicContact CG-CE1 4.1Å; V147-Y151 PolarHBondContact O-N 3.26Å; V147-Y151 VanDerWaalsContact O-N 3.08Å; Y151-Q153 VanDerWaalsContact OH-C 3.25Å; Y151-A154 WeakPolarHBondContact OH-CB 3.18Å; Y151-A154 PolarHBondContact OH-N 3.31Å; Y151-F175 VanDerWaalsContact CA-CD1 3.48Å; Y151-F175 HydrophobicContact CD2-CD1 4.24Å; Y151-F175 AromaticContact CD2-CE1 3.69Å; Y151-F175 HydrophobicContact CD2-CE1 3.69Å; Y151-F175 HydrophobicContact CD2-CE2 4.48Å; Y151-F175 AromaticContact CD2-CZ 3.83Å; Y151-F175 HydrophobicContact CD2-CZ 3.83Å; Y151-F175 HydrophobicContact CG-CE1 4.24Å
152	K	91.5	Very high	89.8	Confident	104 Å²	104	52.3 Å²	52.3	45%	0.452	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-64.3	175.8	-169.8	-175.4	-174.4	-179.9	0	110.9	L150 V174 I176	L150-K152 PolarHBondContact O-N 2.85Å; K152-V174 HydrophobicContact CB-CB 4.33Å; K152-V174 HydrophobicContact CB-CG1 4.37Å; K152-V174 VanDerWaalsContact CB-O 3.24Å; K152-V174 WeakPolarHBondContact CB-O 3.31Å; K152-V174 HydrophobicContact CD-CG1 4.1Å; K152-V174 PolarHBondContact N-O 2.67Å; K152-I176 HydrophobicContact CB-CD1 4.37Å; K152-I176 HydrophobicContact CB-CG1 4.28Å; K152-I176 HydrophobicContact CD-CD1 4Å; K152-I176 HydrophobicContact CD-CG1 4.26Å; K152-I176 HydrophobicContact CG-CD1 4.21Å
153	Q	92.6	Very high	88.8	Confident	76 Å²	76	54.8 Å²	54.8	36%	0.355	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	161.7	-174.9	67.6	-173.1	23.5	0	0	112	Y151 V155 V174	Y151-Q153 VanDerWaalsContact OH-C 3.25Å; Q153-V155 HydrophobicContact CG-CG2 4.37Å; Q153-V174 PolarHBondContact O-N 3.24Å
154	A	92.7	Very high	87.8	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.008	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	147.4	163.7	0	0	0	0	0	109	Q135 V138 Y151 W172 M173	Q135-A154 VanDerWaalsContact CG-O 3.26Å; Q135-A154 WeakPolarHBondContact CG-O 3.32Å; Q135-A154 PolarHBondContact NE2-O 2.87Å; Q135-A154 PolarHBondContact OE1-O 3.15Å; V138-A154 HydrophobicContact CG1-CB 3.93Å; Y151-A154 WeakPolarHBondContact OH-CB 3.18Å; Y151-A154 PolarHBondContact OH-N 3.31Å; A154-W172 CarbonylContact C-O 3.33Å; A154-W172 WeakPolarHBondContact CA-O 3.37Å; A154-M173 HydrophobicContact CB-CG 4.24Å
155	V	91.6	Very high	87.3	Confident	47 Å²	47	50.2 Å²	50.2	29%	0.285	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	123.4	178.6	-179	0	0	0	0	108.3	Q153 S157 F171 W172	Q153-V155 HydrophobicContact CG-CG2 4.37Å; V155-S157 PolarHBondContact O-N 3.19Å; V155-F171 CarbonylContact O-C 3.58Å; V155-F171 VanDerWaalsContact O-CA 3.27Å; V155-F171 WeakPolarHBondContact O-CA 3.36Å; V155-F171 WeakPolarHBondContact O-CB 3.35Å; V155-W172 PolarHBondContact N-O 3.07Å; V155-W172 PolarHBondContact O-N 2.8Å
156	I	93.9	Very high	87.2	Confident	12 Å²	12	49.5 Å²	49.5	6%	0.062	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	121.5	174	-50.6	-51.3	0	0	0	108.3	A131 I134 Q135 L159 V169 F171	A131-I156 HydrophobicContact CB-CB 3.86Å; A131-I156 HydrophobicContact CB-CG1 4.06Å; A131-I156 HydrophobicContact CB-CG2 4.08Å; A131-I156 WeakPolarHBondContact O-CG1 3.27Å; I134-I156 HydrophobicContact CB-CD1 4.26Å; I134-I156 HydrophobicContact CB-CG1 4.47Å; I134-I156 HydrophobicContact CG2-CD1 3.84Å; Q135-I156 HydrophobicContact CB-CG1 4.18Å; I156-L159 HydrophobicContact CG2-CD2 3.98Å; I156-L159 HydrophobicContact CG2-CG 4.39Å; I156-V169 HydrophobicContact CD1-CG1 4.02Å; I156-V169 HydrophobicContact CG2-CG1 4.13Å; I156-F171 HydrophobicContact CD1-CB 3.62Å; I156-F171 HydrophobicContact CD1-CG 4.45Å
157	S	90.7	Very high	87.4	Confident	16 Å²	16	44.7 Å²	44.7	11%	0.112	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-50.6	-179.3	-179.9	0	0	0	0	111	V155 H170 K269	V155-S157 PolarHBondContact O-N 3.19Å; S157-H170 PolarHBondContact N-O 2.86Å; S157-K269 PolarHBondContact OG-NZ 3.29Å
158	D	91.6	Very high	87.5	Confident	8 Å²	8	44.6 Å²	44.6	4%	0.043	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	147.8	-174.2	-58	-90.4	0	0	0	110.8	H170 K243 K269 L303	D158-H170 HydrophobicContact CB-CB 4.38Å; D158-H170 PolarHBondContact N-O 2.89Å; D158-H170 PolarHBondContact O-N 3.43Å; D158-K243 WeakPolarHBondContact OD1-CE 3.39Å; D158-K243 IonicContact OD1-NZ 3.29Å; D158-K243 PolarHBondContact OD1-NZ 3.23Å; D158-K269 IonicContact OD1-NZ 2.94Å; D158-K269 PolarHBondContact OD1-NZ 3.03Å; D158-K269 IonicContact OD2-NZ 2.81Å; D158-K269 PolarHBondContact OD2-NZ 3.31Å; D158-L303 HydrophobicContact CB-CB 4.41Å; D158-L303 HydrophobicContact CB-CD1 3.8Å
159	L	92.1	Very high	87.8	Confident	5 Å²	5	42.8 Å²	42.8	3%	0.026	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	124.8	169.2	-63.6	179.2	0	0	0	106.9	F115 Y119 F127 M130 I134 I156 V167 V169	F115-L159 WeakPolarHBondContact CE2-O 3.45Å; Y119-L159 HydrophobicContact CD1-CD1 4.06Å; Y119-L159 HydrophobicContact CG-CB 4.46Å; Y119-L159 HydrophobicContact CG-CD1 4.12Å; F127-L159 HydrophobicContact CD2-CB 4.15Å; F127-L159 HydrophobicContact CD2-CD1 3.73Å; F127-L159 HydrophobicContact CD2-CG 3.83Å; F127-L159 HydrophobicContact CE2-CB 4.14Å; F127-L159 HydrophobicContact CE2-CD1 4.09Å; F127-L159 HydrophobicContact CE2-CG 3.72Å; M130-L159 HydrophobicContact CB-CD1 3.89Å; M130-L159 HydrophobicContact CG-CD1 3.72Å; I134-L159 HydrophobicContact CD1-CD2 3.99Å; I156-L159 HydrophobicContact CG2-CD2 3.98Å; I156-L159 HydrophobicContact CG2-CG 4.39Å; L159-V167 HydrophobicContact CB-CG1 4.08Å; L159-V167 HydrophobicContact CD2-CG1 3.98Å; L159-V167 HydrophobicContact CG-CG1 4.44Å; L159-V169 HydrophobicContact CD2-CB 4.31Å; L159-V169 HydrophobicContact CD2-CG1 4.14Å; L159-V169 HydrophobicContact CD2-CG2 3.96Å
160	S	89.9	Confident	88.1	Confident	5 Å²	5	31 Å²	31	4%	0.035	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	-178.2	177	73.9	0	0	0	0	110.4	F115 L168 H170	F115-S160 VanDerWaalsContact CD2-O 3.29Å; F115-S160 WeakPolarHBondContact CD2-O 3.09Å; F115-S160 VanDerWaalsContact CE2-C 3.43Å; S160-L168 PolarHBondContact N-O 3.01Å; S160-L168 PolarHBondContact O-N 2.89Å; S160-H170 PolarHBondContact OG-CE1 3.05Å
161	N	85.8	Confident	88.3	Confident	21 Å²	21	28 Å²	28	11%	0.112	15%	0.147	C	C	.	.			trans	-109.7	168	168.5	-163.9	6.5	0	0	0	108.5	F115 G166 N329	F115-N161 HydrophobicContact CB-CB 3.79Å; F115-N161 HydrophobicContact CD1-CB 4.04Å; F115-N161 HydrophobicContact CD2-CB 4.03Å; F115-N161 HydrophobicContact CG-CB 3.67Å; N161-G166 PolarHBondContact OD1-O 2.94Å; N161-N329 PolarHBondContact O-OD1 2.77Å
162	N	73.9	Confident	88.4	Confident	24 Å²	24	27.3 Å²	27.3	13%	0.128	14%	0.144	C	C	.	.			trans	-125.2	162.7	155.4	64.5	12.1	0	0	0	108.1	R109 K164 G165	R109-N162 WeakPolarHBondContact CD-ND2 3.32Å; N162-K164 PolarHBondContact O-N 2.82Å; N162-K164 WeakPolarHBondContact OD1-CB 3.29Å; N162-K164 PolarHBondContact OD1-N 2.87Å; N162-G165 PolarHBondContact O-N 3.07Å; N162-G165 VanDerWaalsContact O-N 3.09Å; N162-G165 PolarHBondContact OD1-N 3.36Å; N162-G165 PolarHBondContact OD1-O 3.22Å
163	N	70.5	Confident	88.4	Confident	52 Å²	52	22.3 Å²	22.3	28%	0.278	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	2.2	-179.5	-63	-14.6	0	0	0	113.4	G275 S276	N163-G275 VanDerWaalsContact OD1-CA 3.25Å; N163-G275 WeakPolarHBondContact OD1-CA 3.47Å; N163-G275 PolarHBondContact OD1-N 2.74Å; N163-S276 PolarHBondContact ND2-O 3.37Å
164	K	73.1	Confident	88.4	Confident	149 Å²	149	19.1 Å²	19.1	65%	0.648	11%	0.108	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.6	5.9	176.9	-54.6	-177.7	179.9	178.1	0	113.1	R109 N162	R109-K164 PolarHBondContact NH1-O 2.77Å; N162-K164 PolarHBondContact O-N 2.82Å; N162-K164 WeakPolarHBondContact OD1-CB 3.29Å; N162-K164 PolarHBondContact OD1-N 2.87Å
165	G	79.4	Confident	88.3	Confident	32 Å²	32	19.1 Å²	19.1	33%	0.33	11%	0.108	S	C	.	.	S	Bend	trans	69.9	169	-176.9	0	0	0	0	0	113.1	R109 N162	R109-G165 WeakPolarHBondContact CD-O 3.16Å; R109-G165 PolarHBondContact NH1-O 2.91Å; N162-G165 PolarHBondContact O-N 3.07Å; N162-G165 VanDerWaalsContact O-N 3.09Å; N162-G165 PolarHBondContact OD1-N 3.36Å; N162-G165 PolarHBondContact OD1-O 3.22Å
166	G	87.6	Confident	88.1	Confident	10 Å²	10	20.4 Å²	20.4	10%	0.103	11%	0.113	C	C	.	.	S	Bend	trans	97.6	-172.7	-171	0	0	0	0	0	112.6	V110 V113 N161	V110-G166 CarbonylContact O-C 3.56Å; V110-G166 WeakPolarHBondContact O-CA 3.31Å; V113-G166 CarbonylContact O-C 3.59Å; V113-G166 WeakPolarHBondContact O-CA 3.47Å; N161-G166 PolarHBondContact OD1-O 2.94Å
167	V	91.6	Very high	87.6	Confident	0 Å²	0	20 Å²	20	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	120.9	170.2	179.4	0	0	0	0	108.5	V110 V113 F115 Y119 L159	V110-V167 PolarHBondContact N-O 2.82Å; V110-V167 PolarHBondContact O-N 3.46Å; V113-V167 HydrophobicContact CB-CG2 4.22Å; V113-V167 HydrophobicContact CG1-CG2 3.75Å; F115-V167 HydrophobicContact CB-CG2 4.43Å; Y119-V167 HydrophobicContact CD2-CG2 4.26Å; Y119-V167 HydrophobicContact CE2-CG2 3.91Å; L159-V167 HydrophobicContact CB-CG1 4.08Å; L159-V167 HydrophobicContact CD2-CG1 3.98Å; L159-V167 HydrophobicContact CG-CG1 4.44Å
168	L	92	Very high	86.9	Confident	7 Å²	7	20.4 Å²	20.4	4%	0.037	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	116.8	175.4	-173	67.2	0	0	0	109.5	M107 R109 S160	M107-L168 HydrophobicContact CE-CD1 3.8Å; M107-L168 HydrophobicContact CE-CD2 3.89Å; M107-L168 HydrophobicContact CE-CG 4.23Å; R109-L168 HydrophobicContact CB-CD1 4.16Å; S160-L168 PolarHBondContact N-O 3.01Å; S160-L168 PolarHBondContact O-N 2.89Å
169	V	93.9	Very high	85.4	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	131.4	-175.1	-175.1	0	0	0	0	109.2	M107 F108 V110 I134 I156 L159 F171	M107-V169 WeakPolarHBondContact CA-O 3.43Å; F108-V169 HydrophobicContact CD2-CB 4.48Å; F108-V169 HydrophobicContact CD2-CG2 4.39Å; F108-V169 HydrophobicContact CE1-CB 4.38Å; F108-V169 HydrophobicContact CE1-CG1 4.35Å; F108-V169 HydrophobicContact CE2-CB 4.23Å; F108-V169 HydrophobicContact CE2-CG2 3.94Å; F108-V169 HydrophobicContact CZ-CB 4.17Å; F108-V169 HydrophobicContact CZ-CG1 4.22Å; F108-V169 HydrophobicContact CZ-CG2 4.21Å; F108-V169 PolarHBondContact N-O 2.8Å; F108-V169 VanDerWaalsContact N-O 3.16Å; F108-V169 PolarHBondContact O-N 3.31Å; V110-V169 HydrophobicContact CG2-CG2 3.8Å; I134-V169 HydrophobicContact CD1-CG1 4.29Å; I134-V169 HydrophobicContact CD1-CG2 3.66Å; I134-V169 HydrophobicContact CG2-CG1 4.07Å; I156-V169 HydrophobicContact CD1-CG1 4.02Å; I156-V169 HydrophobicContact CG2-CG1 4.13Å; L159-V169 HydrophobicContact CD2-CB 4.31Å; L159-V169 HydrophobicContact CD2-CG1 4.14Å; L159-V169 HydrophobicContact CD2-CG2 3.96Å; V169-F171 HydrophobicContact CG1-CD1 4.29Å
170	H	94.3	Very high	83.5	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	126.2	170.9	-63.6	83.8	0	0	0	109.5	S157 D158 S160 L303 L304	S157-H170 PolarHBondContact N-O 2.86Å; D158-H170 HydrophobicContact CB-CB 4.38Å; D158-H170 PolarHBondContact N-O 2.89Å; D158-H170 PolarHBondContact O-N 3.43Å; S160-H170 PolarHBondContact OG-CE1 3.05Å; H170-L303 PolarHBondContact NE2-N 3.3Å; H170-L304 HydrophobicContact CB-CD1 3.78Å; H170-L304 HydrophobicContact CB-CG 3.93Å
171	F	94.1	Very high	81.7	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	153.7	-172.9	66.5	-77.7	0	0	0	113.1	G106 F108 V138 V155 I156 V169 M173 L194	G106-F171 PolarHBondContact N-O 3.32Å; G106-F171 VanDerWaalsContact O-CD1 3.26Å; G106-F171 WeakPolarHBondContact O-CD1 3.4Å; G106-F171 PolarHBondContact O-N 3.41Å; F108-F171 HydrophobicContact CD1-CD1 4.12Å; F108-F171 AromaticContact CD1-CE1 3.4Å; F108-F171 HydrophobicContact CD1-CE1 3.4Å; F108-F171 VanDerWaalsContact CD1-CE1 3.4Å; F108-F171 HydrophobicContact CD1-CZ 4.07Å; F108-F171 AromaticContact CE1-CD1 3.91Å; F108-F171 HydrophobicContact CE1-CD1 3.91Å; F108-F171 AromaticContact CE1-CE1 3.52Å; F108-F171 HydrophobicContact CE1-CE1 3.52Å; F108-F171 HydrophobicContact CE1-CZ 4.09Å; V138-F171 HydrophobicContact CG1-CD2 4.4Å; V138-F171 HydrophobicContact CG1-CE2 4.13Å; V155-F171 CarbonylContact O-C 3.58Å; V155-F171 VanDerWaalsContact O-CA 3.27Å; V155-F171 WeakPolarHBondContact O-CA 3.36Å; V155-F171 WeakPolarHBondContact O-CB 3.35Å; I156-F171 HydrophobicContact CD1-CB 3.62Å; I156-F171 HydrophobicContact CD1-CG 4.45Å; V169-F171 HydrophobicContact CG1-CD1 4.29Å; F171-M173 HydrophobicContact CD2-CG 3.82Å; F171-M173 HydrophobicContact CD2-SD 4.41Å; F171-M173 HydrophobicContact CE2-CE 4.03Å; F171-M173 HydrophobicContact CE2-CG 3.71Å; F171-M173 HydrophobicContact CE2-SD 3.7Å; F171-L194 HydrophobicContact CZ-CD2 4.27Å
172	W	93.2	Very high	80.2	Confident	4 Å²	4	42 Å²	42	2%	0.015	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	149.1	172.4	-63.7	104.8	0	0	0	110.5	F104 A105 A154 V155 V226 Y231 N234 L304 P305	F104-W172 CarbonylContact O-C 3.55Å; F104-W172 WeakPolarHBondContact O-CA 3.26Å; A105-W172 HydrophobicContact CB-CE3 3.89Å; A105-W172 HydrophobicContact CB-CH2 4.28Å; A105-W172 HydrophobicContact CB-CZ3 3.6Å; A154-W172 CarbonylContact C-O 3.33Å; A154-W172 WeakPolarHBondContact CA-O 3.37Å; V155-W172 PolarHBondContact N-O 3.07Å; V155-W172 PolarHBondContact O-N 2.8Å; W172-V226 HydrophobicContact CE3-CG2 4Å; W172-V226 HydrophobicContact CH2-CG2 4.38Å; W172-V226 HydrophobicContact CZ3-CB 4Å; W172-V226 HydrophobicContact CZ3-CG1 3.97Å; W172-V226 HydrophobicContact CZ3-CG2 3.38Å; W172-Y231 HydrophobicContact CB-CD2 3.92Å; W172-Y231 HydrophobicContact CB-CE2 3.69Å; W172-Y231 AromaticContact CD2-CD2 3.72Å; W172-Y231 HydrophobicContact CD2-CD2 3.72Å; W172-Y231 HydrophobicContact CD2-CE2 4.32Å; W172-Y231 HydrophobicContact CE3-CD2 4.03Å; W172-Y231 AromaticContact CG-CD2 3.7Å; W172-Y231 HydrophobicContact CG-CD2 3.7Å; W172-Y231 AromaticContact CG-CE2 3.79Å; W172-Y231 HydrophobicContact CG-CE2 3.79Å; W172-N234 HydrophobicContact CZ2-CB 3.67Å; W172-L304 HydrophobicContact CD2-CD1 4.47Å; W172-L304 HydrophobicContact CH2-CD2 4.36Å; W172-L304 HydrophobicContact CZ2-CD2 3.49Å; W172-L304 VanDerWaalsContact CZ2-CD2 3.49Å; W172-L304 HydrophobicContact CZ2-CG 4.46Å; W172-P305 HydrophobicContact CH2-CG 3.76Å; W172-P305 HydrophobicContact CZ2-CG 4.46Å
173	M	92.7	Very high	79	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	141.9	167.7	-58.3	-179.3	-71	0	0	110.4	Y103 F104 Y142 A154 F171 F175 I190 I223	Y103-M173 WeakPolarHBondContact CA-O 3.41Å; F104-M173 HydrophobicContact CB-CB 4.33Å; F104-M173 HydrophobicContact CB-CE 3.82Å; F104-M173 HydrophobicContact CG-CE 4.49Å; F104-M173 PolarHBondContact N-O 3.36Å; F104-M173 PolarHBondContact O-N 3.29Å; Y142-M173 HydrophobicContact CD2-SD 3.97Å; Y142-M173 HydrophobicContact CE1-SD 4.44Å; Y142-M173 HydrophobicContact CE2-CE 4.48Å; Y142-M173 HydrophobicContact CE2-SD 3.26Å; Y142-M173 WeakPolarHBondContact CE2-SD 3.45Å; Y142-M173 VanDerWaalsContact CZ-SD 3.53Å; A154-M173 HydrophobicContact CB-CG 4.24Å; F171-M173 HydrophobicContact CD2-CG 3.82Å; F171-M173 HydrophobicContact CD2-SD 4.41Å; F171-M173 HydrophobicContact CE2-CE 4.03Å; F171-M173 HydrophobicContact CE2-CG 3.71Å; F171-M173 HydrophobicContact CE2-SD 3.7Å; M173-F175 HydrophobicContact CB-CE2 3.91Å; M173-F175 HydrophobicContact SD-CE2 4.47Å; M173-I190 HydrophobicContact CE-CG2 3.66Å; M173-I190 HydrophobicContact SD-CG2 4.49Å; M173-I223 HydrophobicContact CE-CD1 3.77Å; M173-I223 HydrophobicContact CE-CG1 4.43Å; M173-I223 HydrophobicContact CE-CG2 3.64Å
174	V	92.1	Very high	78	Confident	9 Å²	9	48.5 Å²	48.5	6%	0.055	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	128.8	179.4	-174.2	0	0	0	0	109.3	Y103 K152 Q153 Y231	Y103-V174 HydrophobicContact CD1-CG1 4.36Å; Y103-V174 HydrophobicContact CD1-CG2 3.93Å; Y103-V174 HydrophobicContact CE1-CG1 4.09Å; Y103-V174 HydrophobicContact CE1-CG2 4.09Å; K152-V174 HydrophobicContact CB-CB 4.33Å; K152-V174 HydrophobicContact CB-CG1 4.37Å; K152-V174 VanDerWaalsContact CB-O 3.24Å; K152-V174 WeakPolarHBondContact CB-O 3.31Å; K152-V174 HydrophobicContact CD-CG1 4.1Å; K152-V174 PolarHBondContact N-O 2.67Å; Q153-V174 PolarHBondContact O-N 3.24Å; V174-Y231 HydrophobicContact CG2-CE2 4.23Å
175	F	90.3	Very high	77.7	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	144.9	172.6	-62.2	-98.4	0	0	0	110	G101 A102 F104 Y142 V147 L150 Y151 M173 V177 M185 I190	G101-F175 CarbonylContact C-O 3.49Å; G101-F175 WeakPolarHBondContact CA-O 3.29Å; A102-F175 HydrophobicContact CB-CB 4.32Å; A102-F175 PolarHBondContact N-O 3.25Å; A102-F175 PolarHBondContact O-N 3.01Å; F104-F175 AromaticContact CD2-CD2 3.55Å; F104-F175 HydrophobicContact CD2-CD2 3.55Å; F104-F175 AromaticContact CD2-CE2 3.68Å; F104-F175 HydrophobicContact CD2-CE2 3.68Å; F104-F175 AromaticContact CE2-CD2 3.55Å; F104-F175 HydrophobicContact CE2-CD2 3.55Å; F104-F175 AromaticContact CE2-CE2 3.9Å; F104-F175 HydrophobicContact CE2-CE2 3.9Å; F104-F175 HydrophobicContact CE2-CG 4.45Å; Y142-F175 HydrophobicContact CD1-CE1 4.47Å; Y142-F175 HydrophobicContact CD1-CZ 4.08Å; Y142-F175 HydrophobicContact CE1-CZ 4.31Å; Y142-F175 HydrophobicContact CG-CZ 4.48Å; V147-F175 HydrophobicContact CB-CE1 4.2Å; V147-F175 HydrophobicContact CG2-CE1 3.73Å; V147-F175 HydrophobicContact CG2-CZ 4.44Å; L150-F175 HydrophobicContact CB-CD1 4.16Å; L150-F175 CarbonylContact O-C 3.46Å; L150-F175 WeakPolarHBondContact O-CA 3.4Å; Y151-F175 VanDerWaalsContact CA-CD1 3.48Å; Y151-F175 HydrophobicContact CD2-CD1 4.24Å; Y151-F175 AromaticContact CD2-CE1 3.69Å; Y151-F175 HydrophobicContact CD2-CE1 3.69Å; Y151-F175 HydrophobicContact CD2-CE2 4.48Å; Y151-F175 AromaticContact CD2-CZ 3.83Å; Y151-F175 HydrophobicContact CD2-CZ 3.83Å; Y151-F175 HydrophobicContact CG-CE1 4.24Å; M173-F175 HydrophobicContact CB-CE2 3.91Å; M173-F175 HydrophobicContact SD-CE2 4.47Å; F175-V177 HydrophobicContact CB-CG2 4.16Å; F175-M185 HydrophobicContact CB-CE 3.87Å; F175-M185 HydrophobicContact CB-SD 4.03Å; F175-M185 HydrophobicContact CD1-CE 3.26Å; F175-M185 HydrophobicContact CD1-SD 4.49Å; F175-M185 HydrophobicContact CD2-CE 3.75Å; F175-M185 HydrophobicContact CD2-SD 4.44Å; F175-M185 HydrophobicContact CE1-CE 3.57Å; F175-M185 HydrophobicContact CE2-CE 4.03Å; F175-M185 HydrophobicContact CG-CE 3.35Å; F175-M185 HydrophobicContact CG-SD 4.1Å; F175-M185 HydrophobicContact CZ-CE 3.94Å; F175-I190 HydrophobicContact CE2-CG2 4.33Å; F175-I190 HydrophobicContact CZ-CD1 4.26Å; F175-I190 HydrophobicContact CZ-CG2 4.23Å
176	I	88.4	Confident	77.5	Confident	75 Å²	75	48.7 Å²	48.7	39%	0.385	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	112	176.2	-57.7	175.8	0	0	0	107.4	Y99 L150 K152	Y99-I176 HydrophobicContact CD1-CG2 3.88Å; Y99-I176 HydrophobicContact CG-CG2 4.13Å; L150-I176 WeakPolarHBondContact CD2-O 3.45Å; L150-I176 PolarHBondContact O-N 3.43Å; K152-I176 HydrophobicContact CB-CD1 4.37Å; K152-I176 HydrophobicContact CB-CG1 4.28Å; K152-I176 HydrophobicContact CD-CD1 4Å; K152-I176 HydrophobicContact CD-CG1 4.26Å; K152-I176 HydrophobicContact CG-CD1 4.21Å
177	V	82.1	Confident	77.3	Confident	4 Å²	4	50.4 Å²	50.4	2%	0.024	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	140.2	-171.4	-169.5	0	0	0	0	110.1	Y99 S100 A102 F175 K181 M185	Y99-V177 WeakPolarHBondContact CA-O 3.19Å; S100-V177 PolarHBondContact N-O 3.07Å; S100-V177 PolarHBondContact O-N 3.48Å; S100-V177 PolarHBondContact OG-O 3.16Å; A102-V177 HydrophobicContact CB-CG2 3.87Å; F175-V177 HydrophobicContact CB-CG2 4.16Å; V177-K181 HydrophobicContact CG1-CB 4.14Å; V177-M185 HydrophobicContact CG2-SD 3.89Å
178	P	76.6	Confident	76.8	Confident	24 Å²	24	54.9 Å²	54.9	16%	0.156	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	135.1	170	-17.8	29.5	0	0	0	110.9	Y99 M180 K181	Y99-P178 HydrophobicContact CD1-CG 4.3Å; Y99-P178 HydrophobicContact CE1-CB 4.48Å; Y99-P178 HydrophobicContact CE1-CG 3.91Å; P178-M180 PolarHBondContact O-N 3.48Å; P178-K181 PolarHBondContact O-N 2.96Å
179	Q	60.9	Low	76.6	Confident	109 Å²	109	59.3 Å²	59.3	51%	0.509	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-55.8	-28.8	-170.6	-86.7	-167.7	5.7	0	0	115.4	S98 K181 T182	S98-Q179 WeakPolarHBondContact O-CB 3.28Å; S98-Q179 VanDerWaalsContact O-CG 3.25Å; S98-Q179 WeakPolarHBondContact O-CG 3.21Å; S98-Q179 PolarHBondContact O-N 3.15Å; S98-Q179 PolarHBondContact OG-NE2 3.4Å; Q179-K181 PolarHBondContact O-N 3.01Å; Q179-T182 WeakPolarHBondContact CA-OG1 3.48Å; Q179-T182 PolarHBondContact O-OG1 3.13Å
180	M	50.8	Low	76.4	Confident	187 Å²	187	59.3 Å²	59.3	92%	0.921	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-71.5	-10.9	177.4	-64.1	-68	-118.6	0	0	114.1	P178	P178-M180 PolarHBondContact O-N 3.48Å
181	K	53.6	Low	76.1	Confident	141 Å²	141	60.7 Å²	60.7	61%	0.613	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-118.4	6.9	179.6	-72	-172.9	176.9	-179	0	113.8	V177 P178 Q179 T183 A184	V177-K181 HydrophobicContact CG1-CB 4.14Å; P178-K181 PolarHBondContact O-N 2.96Å; Q179-K181 PolarHBondContact O-N 3.01Å; K181-T183 PolarHBondContact O-N 3.11Å; K181-A184 HydrophobicContact CB-CB 4.39Å; K181-A184 VanDerWaalsContact O-CB 3.32Å; K181-A184 WeakPolarHBondContact O-CB 3.23Å; K181-A184 PolarHBondContact O-N 3.01Å
182	T	52.8	Low	75.8	Confident	54 Å²	54	62.3 Å²	62.3	33%	0.331	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-60.6	-32.6	-177.1	-23.7	0	0	0	0	112.7	S100 Q179 A184	S100-T182 PolarHBondContact OG-OG1 2.95Å; Q179-T182 WeakPolarHBondContact CA-OG1 3.48Å; Q179-T182 PolarHBondContact O-OG1 3.13Å; T182-A184 VanDerWaalsContact C-N 3.32Å
183	T	49.1	Very low	75.6	Confident	139 Å²	139	63 Å²	63	85%	0.853	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-79.2	-9	174.6	40.5	0	0	0	0	114.2	K181	K181-T183 PolarHBondContact O-N 3.11Å
184	A	50	Low	75.4	Confident	74 Å²	74	63 Å²	63	61%	0.612	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-89	-14	-178.3	0	0	0	0	0	113.6	K181 T182 R186	K181-A184 HydrophobicContact CB-CB 4.39Å; K181-A184 VanDerWaalsContact O-CB 3.32Å; K181-A184 WeakPolarHBondContact O-CB 3.23Å; K181-A184 PolarHBondContact O-N 3.01Å; T182-A184 VanDerWaalsContact C-N 3.32Å; A184-R186 PolarHBondContact O-N 2.96Å
185	M	66.9	Low	75.2	Confident	29 Å²	29	66.1 Å²	66.1	14%	0.143	34%	0.338	C	S	.	.			trans	-89.4	86.7	179.4	-161.5	173.7	-164.6	0	0	110.1	A102 F104 V147 F175 V177 I190	A102-M185 HydrophobicContact CB-SD 4.26Å; F104-M185 HydrophobicContact CE2-CE 4.28Å; F104-M185 HydrophobicContact CE2-CG 4.44Å; F104-M185 HydrophobicContact CE2-SD 3.89Å; F104-M185 HydrophobicContact CZ-CG 3.92Å; F104-M185 HydrophobicContact CZ-SD 3.98Å; V147-M185 HydrophobicContact CG1-CE 4.43Å; F175-M185 HydrophobicContact CB-CE 3.87Å; F175-M185 HydrophobicContact CB-SD 4.03Å; F175-M185 HydrophobicContact CD1-CE 3.26Å; F175-M185 HydrophobicContact CD1-SD 4.49Å; F175-M185 HydrophobicContact CD2-CE 3.75Å; F175-M185 HydrophobicContact CD2-SD 4.44Å; F175-M185 HydrophobicContact CE1-CE 3.57Å; F175-M185 HydrophobicContact CE2-CE 4.03Å; F175-M185 HydrophobicContact CG-CE 3.35Å; F175-M185 HydrophobicContact CG-SD 4.1Å; F175-M185 HydrophobicContact CZ-CE 3.94Å; V177-M185 HydrophobicContact CG2-SD 3.89Å; M185-I190 HydrophobicContact CE-CD1 3.3Å; M185-I190 HydrophobicContact CE-CG1 4.11Å; M185-I190 HydrophobicContact CG-CD1 4.11Å; M185-I190 HydrophobicContact CG-CG1 4.3Å; M185-I190 HydrophobicContact SD-CD1 4.49Å
186	R	73.7	Confident	75	Confident	156 Å²	156	72.7 Å²	72.7	59%	0.589	37%	0.373	S	S	*	.			trans	-72.1	140.9	178.8	-79.4	171.8	37.3	117.7	0.5	111.8	A184 D188 F189 I190	A184-R186 PolarHBondContact O-N 2.96Å; R186-D188 VanDerWaalsContact C-N 3.33Å; R186-D188 IonicContact CZ-OD2 2.6Å; R186-D188 IonicContact NH1-OD2 3.77Å; R186-D188 IonicContact NH2-OD2 3.89Å; R186-D188 PolarHBondContact NH2-OD2 2.85Å; R186-D188 PolarHBondContact O-N 2.79Å; R186-F189 WeakPolarHBondContact O-CB 3.16Å; R186-F189 PolarHBondContact O-N 2.84Å; R186-F189 VanDerWaalsContact O-N 3.16Å; R186-I190 PolarHBondContact O-N 2.95Å
187	E	83.5	Confident	74.9	Confident	47 Å²	47	71.2 Å²	71.2	22%	0.22	37%	0.369	C	S	.	.	H	α-helix	trans	-55.1	-47.8	176.1	-57.8	175.5	-170.8	0	0	111.2	F104 F189 I190 E191 N224 G225 R307	F104-E187 HydrophobicContact CD1-CG 4.49Å; F104-E187 HydrophobicContact CE1-CG 4.18Å; E187-F189 PolarHBondContact O-N 2.93Å; E187-F189 VanDerWaalsContact O-N 3.11Å; E187-I190 PolarHBondContact O-N 3.23Å; E187-E191 PolarHBondContact O-N 2.94Å; E187-N224 VanDerWaalsContact OE2-CA 3.31Å; E187-N224 WeakPolarHBondContact OE2-CA 3.18Å; E187-N224 PolarHBondContact OE2-ND2 3.45Å; E187-G225 WeakPolarHBondContact OE1-CA 3.49Å; E187-G225 PolarHBondContact OE1-N 2.99Å; E187-G225 PolarHBondContact OE2-N 3.45Å; E187-R307 IonicContact OE1-NH1 2.73Å
188	D	82.9	Confident	75	Confident	94 Å²	94	71.6 Å²	71.6	50%	0.503	37%	0.371	S	S	.	.	H	α-helix	trans	-53.8	-34.7	178.4	-52.4	-10.9	0	0	0	113.4	R186 A192	R186-D188 VanDerWaalsContact C-N 3.33Å; R186-D188 IonicContact CZ-OD2 2.6Å; R186-D188 IonicContact NH1-OD2 3.77Å; R186-D188 IonicContact NH2-OD2 3.89Å; R186-D188 PolarHBondContact NH2-OD2 2.85Å; R186-D188 PolarHBondContact O-N 2.79Å; D188-A192 VanDerWaalsContact O-CB 3.29Å; D188-A192 WeakPolarHBondContact O-CB 3.36Å; D188-A192 PolarHBondContact O-N 2.71Å
189	F	86.8	Confident	74.9	Confident	99 Å²	99	76.5 Å²	76.5	43%	0.434	40%	0.396	S	S	.	.	H	α-helix	trans	-73.4	-39.1	-179.9	178.3	-109.3	0	0	0	111.7	V147 R186 E187 A192 I193	V147-F189 HydrophobicContact CG1-CD1 4.38Å; V147-F189 HydrophobicContact CG1-CE1 3.57Å; V147-F189 HydrophobicContact CG1-CZ 4.44Å; R186-F189 WeakPolarHBondContact O-CB 3.16Å; R186-F189 PolarHBondContact O-N 2.84Å; R186-F189 VanDerWaalsContact O-N 3.16Å; E187-F189 PolarHBondContact O-N 2.93Å; E187-F189 VanDerWaalsContact O-N 3.11Å; F189-A192 PolarHBondContact O-N 3.46Å; F189-I193 HydrophobicContact CD1-CD1 4.2Å; F189-I193 HydrophobicContact CE1-CD1 3.77Å; F189-I193 HydrophobicContact CZ-CD1 3.97Å; F189-I193 WeakPolarHBondContact O-CG1 3.5Å; F189-I193 PolarHBondContact O-N 3.34Å
190	I	89.4	Confident	75.2	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-68.8	-40.7	176.7	-56.6	-52.7	0	0	0	110.3	F104 Y142 V147 M173 F175 M185 R186 E187 I193 L194 I223	F104-I190 HydrophobicContact CE1-CG1 4.14Å; F104-I190 HydrophobicContact CE2-CG1 4.47Å; F104-I190 HydrophobicContact CZ-CG1 4.03Å; Y142-I190 HydrophobicContact CE1-CG2 3.73Å; Y142-I190 WeakPolarHBondContact OH-CG2 3.28Å; Y142-I190 PolarHBondContact OH-O 3.5Å; Y142-I190 VanDerWaalsContact OH-O 3.13Å; V147-I190 HydrophobicContact CG1-CD1 4.35Å; M173-I190 HydrophobicContact CE-CG2 3.66Å; M173-I190 HydrophobicContact SD-CG2 4.49Å; F175-I190 HydrophobicContact CE2-CG2 4.33Å; F175-I190 HydrophobicContact CZ-CD1 4.26Å; F175-I190 HydrophobicContact CZ-CG2 4.23Å; M185-I190 HydrophobicContact CE-CD1 3.3Å; M185-I190 HydrophobicContact CE-CG1 4.11Å; M185-I190 HydrophobicContact CG-CD1 4.11Å; M185-I190 HydrophobicContact CG-CG1 4.3Å; M185-I190 HydrophobicContact SD-CD1 4.49Å; R186-I190 PolarHBondContact O-N 2.95Å; E187-I190 PolarHBondContact O-N 3.23Å; I190-I193 PolarHBondContact O-N 3.02Å; I190-L194 PolarHBondContact O-N 2.92Å; I190-I223 HydrophobicContact CG2-CD1 4.25Å; I190-I223 HydrophobicContact CG2-CG2 4.29Å
191	E	87.9	Confident	75.4	Confident	29 Å²	29	69.2 Å²	69.2	14%	0.136	37%	0.372	C	S	.	.	H	α-helix	trans	-62.3	-44.5	174.3	-165.8	177.2	132.2	0	0	112.4	E187 I193 L194 R195 I221 I223	E187-E191 PolarHBondContact O-N 2.94Å; E191-I193 VanDerWaalsContact C-N 3.32Å; E191-I193 PolarHBondContact O-N 3.32Å; E191-L194 PolarHBondContact O-N 3.02Å; E191-L194 VanDerWaalsContact O-N 3.16Å; E191-R195 WeakPolarHBondContact O-CG 3.38Å; E191-R195 PolarHBondContact O-N 3.36Å; E191-R195 IonicContact OE1-CZ 3.36Å; E191-R195 IonicContact OE1-NE 3.93Å; E191-R195 PolarHBondContact OE1-NE 3.17Å; E191-R195 IonicContact OE1-NH2 2.6Å; E191-R195 PolarHBondContact OE1-NH2 3.13Å; E191-I221 HydrophobicContact CG-CG2 3.97Å; E191-I223 HydrophobicContact CB-CB 4.25Å; E191-I223 HydrophobicContact CB-CD1 4.3Å; E191-I223 HydrophobicContact CB-CG1 4.33Å; E191-I223 HydrophobicContact CG-CD1 4.47Å; E191-I223 HydrophobicContact CG-CG1 4.27Å; E191-I223 PolarHBondContact OE2-N 3.3Å
192	A	87.4	Confident	75.4	Confident	35 Å²	35	70.9 Å²	70.9	29%	0.289	39%	0.387	S	S	.	.	H	α-helix	trans	-58.2	-42.1	178.1	0	0	0	0	0	112.4	D188 F189 L194 R195 D196	D188-A192 VanDerWaalsContact O-CB 3.29Å; D188-A192 WeakPolarHBondContact O-CB 3.36Å; D188-A192 PolarHBondContact O-N 2.71Å; F189-A192 PolarHBondContact O-N 3.46Å; A192-L194 VanDerWaalsContact C-N 3.3Å; A192-L194 PolarHBondContact O-N 2.97Å; A192-R195 PolarHBondContact O-N 3.11Å; A192-D196 WeakPolarHBondContact O-CB 3.35Å; A192-D196 VanDerWaalsContact O-CG 3.25Å; A192-D196 PolarHBondContact O-N 2.86Å
193	I	89.1	Confident	75.4	Confident	17 Å²	17	77.4 Å²	77.4	9%	0.087	41%	0.411	C	S	.	.	H	α-helix	trans	-58	-43.4	177.3	-69.1	169.6	0	0	0	111.4	V141 Y142 V147 F189 I190 E191 S197	V141-I193 HydrophobicContact CG1-CG2 4.11Å; Y142-I193 HydrophobicContact CD1-CG2 4.01Å; Y142-I193 HydrophobicContact CE1-CB 4.19Å; Y142-I193 HydrophobicContact CE1-CG2 3.9Å; V147-I193 HydrophobicContact CG1-CD1 4.05Å; V147-I193 HydrophobicContact CG2-CD1 3.86Å; F189-I193 HydrophobicContact CD1-CD1 4.2Å; F189-I193 HydrophobicContact CE1-CD1 3.77Å; F189-I193 HydrophobicContact CZ-CD1 3.97Å; F189-I193 WeakPolarHBondContact O-CG1 3.5Å; F189-I193 PolarHBondContact O-N 3.34Å; I190-I193 PolarHBondContact O-N 3.02Å; E191-I193 VanDerWaalsContact C-N 3.32Å; E191-I193 PolarHBondContact O-N 3.32Å; I193-S197 WeakPolarHBondContact O-CB 3.47Å; I193-S197 PolarHBondContact O-N 3.03Å; I193-S197 PolarHBondContact O-OG 3.31Å
194	L	88.8	Confident	75.6	Confident	2 Å²	2	76.6 Å²	76.6	1%	0.01	40%	0.401	C	S	.	.	H	α-helix	trans	-68.1	-42.3	178.8	-172.2	63.5	0	0	0	111.4	F108 V141 F171 I190 E191 A192 S197 L211 I221 I223	F108-L194 HydrophobicContact CD1-CD2 4.49Å; V141-L194 HydrophobicContact CG1-CD1 4.21Å; F171-L194 HydrophobicContact CZ-CD2 4.27Å; I190-L194 PolarHBondContact O-N 2.92Å; E191-L194 PolarHBondContact O-N 3.02Å; E191-L194 VanDerWaalsContact O-N 3.16Å; A192-L194 VanDerWaalsContact C-N 3.3Å; A192-L194 PolarHBondContact O-N 2.97Å; L194-S197 PolarHBondContact O-N 3.34Å; L194-L211 HydrophobicContact CD1-CD2 3.93Å; L194-I221 HydrophobicContact CD2-CG2 3.97Å; L194-I223 HydrophobicContact CB-CD1 4.48Å; L194-I223 HydrophobicContact CD2-CD1 4.06Å
195	R	88.3	Confident	75.9	Confident	74 Å²	74	85.8 Å²	85.8	28%	0.279	42%	0.42	S	S	.	.	H	α-helix	trans	-62.4	-47.2	177.3	-71.4	178.4	177.7	-73.3	-4.5	112.1	E191 A192 S197 I198 M218 I221	E191-R195 WeakPolarHBondContact O-CG 3.38Å; E191-R195 PolarHBondContact O-N 3.36Å; E191-R195 IonicContact OE1-CZ 3.36Å; E191-R195 IonicContact OE1-NE 3.93Å; E191-R195 PolarHBondContact OE1-NE 3.17Å; E191-R195 IonicContact OE1-NH2 2.6Å; E191-R195 PolarHBondContact OE1-NH2 3.13Å; A192-R195 PolarHBondContact O-N 3.11Å; R195-S197 PolarHBondContact O-N 2.82Å; R195-I198 WeakPolarHBondContact O-CB 3.33Å; R195-I198 PolarHBondContact O-N 3.5Å; R195-I198 VanDerWaalsContact O-N 3.16Å; R195-M218 PolarHBondContact NH1-O 3.32Å; R195-I221 HydrophobicContact CG-CD1 4.08Å; R195-I221 PolarHBondContact NH2-O 2.97Å
196	D	86.6	Confident	75.7	Confident	137 Å²	137	87 Å²	87	73%	0.733	43%	0.432	S	S	*	.	H	α-helix	trans	-67.1	-21.8	-178.1	-70.8	-12.4	0	0	0	112.8	A192 I198	A192-D196 WeakPolarHBondContact O-CB 3.35Å; A192-D196 VanDerWaalsContact O-CG 3.25Å; A192-D196 PolarHBondContact O-N 2.86Å; D196-I198 VanDerWaalsContact C-N 3.28Å; D196-I198 PolarHBondContact O-N 2.79Å
197	S	85.9	Confident	75.6	Confident	45 Å²	45	81.8 Å²	81.8	32%	0.315	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-6.5	178.1	-59.8	0	0	0	0	113.6	V141 I193 L194 R195 L211	V141-S197 VanDerWaalsContact CG1-OG 3.31Å; V141-S197 WeakPolarHBondContact CG1-OG 3.28Å; I193-S197 WeakPolarHBondContact O-CB 3.47Å; I193-S197 PolarHBondContact O-N 3.03Å; I193-S197 PolarHBondContact O-OG 3.31Å; L194-S197 PolarHBondContact O-N 3.34Å; R195-S197 PolarHBondContact O-N 2.82Å; S197-L211 WeakPolarHBondContact O-CD1 3.25Å
198	I	84.1	Confident	75.4	Confident	11 Å²	11	81 Å²	81	6%	0.056	42%	0.418	C	S	.	.			trans	-86	117.5	-179.7	-66.5	170.8	0	0	0	109.5	R195 D196 T200 G209 L211 V216 M218 I221	R195-I198 WeakPolarHBondContact O-CB 3.33Å; R195-I198 PolarHBondContact O-N 3.5Å; R195-I198 VanDerWaalsContact O-N 3.16Å; D196-I198 VanDerWaalsContact C-N 3.28Å; D196-I198 PolarHBondContact O-N 2.79Å; I198-T200 PolarHBondContact O-N 3.1Å; I198-G209 VanDerWaalsContact CG2-CA 3.47Å; I198-L211 HydrophobicContact CG1-CB 4.47Å; I198-L211 HydrophobicContact CG1-CD1 4.02Å; I198-V216 HydrophobicContact CD1-CB 4.24Å; I198-V216 HydrophobicContact CD1-CG1 3.9Å; I198-M218 HydrophobicContact CB-CG 4.45Å; I198-M218 HydrophobicContact CD1-CG 3.91Å; I198-M218 HydrophobicContact CG2-CG 3.97Å; I198-M218 HydrophobicContact CG2-SD 4.12Å; I198-I221 HydrophobicContact CD1-CD1 3.36Å
199	N	74.9	Confident	75.3	Confident	127 Å²	127	76.6 Å²	76.6	68%	0.679	39%	0.394	S	S	*	.	B	Isolated β-bridge	trans	-76.6	113.6	173.8	-77	-19.5	0	0	0	110	G209 F210	N199-G209 CarbonylContact O-C 3.55Å; N199-G209 WeakPolarHBondContact O-CA 3.37Å; N199-F210 PolarHBondContact N-O 2.92Å; N199-F210 PolarHBondContact O-N 2.92Å
200	T	66.4	Low	75.2	Confident	73 Å²	73	76.6 Å²	76.6	45%	0.448	39%	0.394	S	S	.	.			trans	-93.4	138.5	175.6	56.4	0	0	0	0	111.8	I198 L202 M218	I198-T200 PolarHBondContact O-N 3.1Å; T200-L202 PolarHBondContact O-N 3.1Å; T200-M218 HydrophobicContact CG2-CE 4.4Å; T200-M218 HydrophobicContact CG2-SD 3.33Å; T200-M218 WeakPolarHBondContact CG2-SD 3.49Å
201	S	55.8	Low	74.9	Confident	70 Å²	70	76.7 Å²	76.7	49%	0.49	39%	0.394	S	S	.	.			trans	-74.8	118.8	171.1	-179.6	0	0	0	0	110.4	K203	S201-K203 PolarHBondContact O-N 3.4Å; S201-K203 VanDerWaalsContact O-N 3.15Å
202	L	53.6	Low	74.3	Confident	177 Å²	177	81.4 Å²	81.4	93%	0.927	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-11.4	178.8	-78.8	160.8	0	0	0	114.2	T200	T200-L202 PolarHBondContact O-N 3.1Å
203	K	52.9	Low	74	Confident	190 Å²	190	87.8 Å²	87.8	83%	0.826	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-22.5	-173.8	-95.1	-176.7	175	-179.5	0	114.8	S201	S201-K203 PolarHBondContact O-N 3.4Å; S201-K203 VanDerWaalsContact O-N 3.15Å
204	N	52.3	Low	73.8	Confident	122 Å²	122	87.2 Å²	87.2	65%	0.652	44%	0.437	S	S	*	.	S	Bend	trans	-134	132.5	172.3	-78.1	-24.3	0	0	0	107	S206	N204-S206 PolarHBondContact O-N 2.88Å
205	R	56.3	Low	73.8	Confident	267 Å²	267	87.9 Å²	87.9	100%	1.008	44%	0.441	S	S	*	.			trans	-67.1	57.2	169.7	-78	179.9	170.4	169.4	-3.9	110.7
206	S	63.4	Low	73.9	Confident	56 Å²	56	84.5 Å²	84.5	39%	0.392	43%	0.429	S	S	.	.			trans	-87.6	135.7	176.6	55.8	0	0	0	0	109.9	N204 V208	N204-S206 PolarHBondContact O-N 2.88Å; S206-V208 PolarHBondContact O-N 2.86Å; S206-V208 PolarHBondContact OG-O 2.92Å
207	S	72.3	Confident	74	Confident	45 Å²	45	78.8 Å²	78.8	32%	0.315	40%	0.398	S	S	.	.	S	Bend	trans	-66.5	-12.3	171.9	63.9	0	0	0	0	113.2	D217 M218 D219	S207-D217 PolarHBondContact OG-OD1 2.76Å; S207-D217 VanDerWaalsContact OG-OD1 3.09Å; S207-M218 VanDerWaalsContact O-CB 3.28Å; S207-M218 WeakPolarHBondContact O-CB 3.29Å; S207-M218 WeakPolarHBondContact O-CG 3.37Å; S207-M218 PolarHBondContact O-N 2.73Å; S207-D219 WeakPolarHBondContact CB-OD2 3.47Å
208	V	78.1	Confident	74	Confident	32 Å²	32	78.9 Å²	78.9	19%	0.194	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	121.4	178.1	-175.5	0	0	0	0	110.1	A111 S206 P215 V216 D217	A111-V208 HydrophobicContact CB-CG1 3.82Å; A111-V208 HydrophobicContact CB-CG2 3.94Å; S206-V208 PolarHBondContact O-N 2.86Å; S206-V208 PolarHBondContact OG-O 2.92Å; V208-P215 HydrophobicContact CG1-CB 4.07Å; V208-V216 WeakPolarHBondContact CA-O 3.34Å; V208-D217 HydrophobicContact CG2-CB 4.44Å
209	G	81.9	Confident	74.1	Confident	0 Å²	0	84.1 Å²	84.1	0%	0	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	-174.5	170.2	0	0	0	0	0	111.9	I198 N199 P215 V216	I198-G209 VanDerWaalsContact CG2-CA 3.47Å; N199-G209 CarbonylContact O-C 3.55Å; N199-G209 WeakPolarHBondContact O-CA 3.37Å; G209-P215 CarbonylContact O-C 3.51Å; G209-P215 WeakPolarHBondContact O-CA 3.24Å; G209-V216 PolarHBondContact N-O 3.19Å; G209-V216 PolarHBondContact O-N 2.6Å
210	F	84.4	Confident	74.7	Confident	99 Å²	99	78.9 Å²	78.9	43%	0.434	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	130.2	-177.7	-69.6	-90.9	0	0	0	112.2	N199 L214 P215	N199-F210 PolarHBondContact N-O 2.92Å; N199-F210 PolarHBondContact O-N 2.92Å; F210-L214 CarbonylContact C-O 3.46Å; F210-L214 WeakPolarHBondContact CA-O 3.39Å; F210-P215 HydrophobicContact CD1-CB 4.3Å; F210-P215 HydrophobicContact CE1-CB 3.95Å; F210-P215 HydrophobicContact CZ-CB 4.48Å
211	L	81.6	Confident	75.9	Confident	2 Å²	2	75.6 Å²	75.6	1%	0.01	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	95.8	173.3	-164.7	69.8	0	0	0	108.6	V137 V141 L194 S197 I198 E213 L214 V216	V137-L211 HydrophobicContact CG1-CB 4.08Å; V137-L211 HydrophobicContact CG1-CD2 3.55Å; V137-L211 HydrophobicContact CG1-CG 3.48Å; V137-L211 VanDerWaalsContact CG1-CG 3.48Å; V137-L211 WeakPolarHBondContact CG1-O 3.3Å; V141-L211 HydrophobicContact CG2-CD1 3.64Å; V141-L211 HydrophobicContact CG2-CD2 4.15Å; V141-L211 HydrophobicContact CG2-CG 4.1Å; L194-L211 HydrophobicContact CD1-CD2 3.93Å; S197-L211 WeakPolarHBondContact O-CD1 3.25Å; I198-L211 HydrophobicContact CG1-CB 4.47Å; I198-L211 HydrophobicContact CG1-CD1 4.02Å; L211-E213 PolarHBondContact O-N 3.16Å; L211-L214 PolarHBondContact N-O 3.12Å; L211-L214 WeakPolarHBondContact O-CB 3.31Å; L211-L214 PolarHBondContact O-N 2.85Å; L211-V216 HydrophobicContact CB-CG2 3.98Å
212	H	77.1	Confident	77.6	Confident	129 Å²	129	73.4 Å²	73.4	60%	0.597	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.5	59.3	-173.8	-79.6	51	0	0	0	112.1	V137 L214	V137-H212 HydrophobicContact CG1-CB 4.16Å; V137-H212 HydrophobicContact CG2-CB 4.02Å; H212-L214 PolarHBondContact O-N 3.08Å
213	E	80	Confident	79.4	Confident	168 Å²	168	65.1 Å²	65.1	79%	0.785	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	-1.9	-179.1	-50.9	178.3	172.3	0	0	116.5	L211 P215	L211-E213 PolarHBondContact O-N 3.16Å; E213-P215 WeakPolarHBondContact O-CD 3.34Å
214	L	85.9	Confident	81.2	Confident	5 Å²	5	56.7 Å²	56.7	3%	0.026	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	119.3	168.6	-71.5	170.7	0	0	0	110.4	V110 K133 I134 V137 F210 L211 H212 V216	V110-L214 HydrophobicContact CG1-CD2 4.44Å; K133-L214 HydrophobicContact CD-CD2 4.34Å; I134-L214 HydrophobicContact CG1-CD1 4.12Å; V137-L214 HydrophobicContact CB-CD1 3.86Å; V137-L214 HydrophobicContact CG1-CD1 4.05Å; V137-L214 HydrophobicContact CG2-CD1 3.64Å; V137-L214 HydrophobicContact CG2-CG 4.35Å; F210-L214 CarbonylContact C-O 3.46Å; F210-L214 WeakPolarHBondContact CA-O 3.39Å; L211-L214 PolarHBondContact N-O 3.12Å; L211-L214 WeakPolarHBondContact O-CB 3.31Å; L211-L214 PolarHBondContact O-N 2.85Å; H212-L214 PolarHBondContact O-N 3.08Å; L214-V216 HydrophobicContact CB-CG2 4.39Å; L214-V216 PolarHBondContact O-N 3.26Å
215	P	88.8	Confident	82.9	Confident	16 Å²	16	51.4 Å²	51.4	10%	0.104	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	111	172.2	28.5	-35.7	0	0	0	110.3	V110 A111 N112 V208 G209 F210 E213	V110-P215 CarbonylContact C-O 3.58Å; V110-P215 VanDerWaalsContact CA-O 3.23Å; V110-P215 WeakPolarHBondContact CA-O 3.16Å; V110-P215 HydrophobicContact CG1-CG 4.24Å; V110-P215 WeakPolarHBondContact CG1-O 3.49Å; A111-P215 HydrophobicContact CB-CB 4.45Å; A111-P215 PolarHBondContact N-O 3.15Å; A111-P215 WeakPolarHBondContact O-CG 3.38Å; N112-P215 HydrophobicContact CB-CG 4.38Å; V208-P215 HydrophobicContact CG1-CB 4.07Å; G209-P215 CarbonylContact O-C 3.51Å; G209-P215 WeakPolarHBondContact O-CA 3.24Å; F210-P215 HydrophobicContact CD1-CB 4.3Å; F210-P215 HydrophobicContact CE1-CB 3.95Å; F210-P215 HydrophobicContact CZ-CB 4.48Å; E213-P215 WeakPolarHBondContact O-CD 3.34Å
216	V	89.4	Confident	84.2	Confident	3 Å²	3	39.6 Å²	39.6	2%	0.018	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	131.2	-177.8	177.9	0	0	0	0	109.8	F108 I198 V208 G209 L211 L214 M218 I221	F108-V216 HydrophobicContact CB-CG1 4.27Å; F108-V216 HydrophobicContact CD2-CG1 3.81Å; F108-V216 HydrophobicContact CD2-CG2 4.12Å; F108-V216 HydrophobicContact CE2-CG2 4.06Å; F108-V216 HydrophobicContact CG-CG1 4.24Å; I198-V216 HydrophobicContact CD1-CB 4.24Å; I198-V216 HydrophobicContact CD1-CG1 3.9Å; V208-V216 WeakPolarHBondContact CA-O 3.34Å; G209-V216 PolarHBondContact N-O 3.19Å; G209-V216 PolarHBondContact O-N 2.6Å; L211-V216 HydrophobicContact CB-CG2 3.98Å; L214-V216 HydrophobicContact CB-CG2 4.39Å; L214-V216 PolarHBondContact O-N 3.26Å; V216-M218 PolarHBondContact O-N 2.87Å; V216-I221 HydrophobicContact CG1-CD1 4.25Å; V216-I221 HydrophobicContact CG1-CG1 4.36Å
217	D	88.7	Confident	85	Confident	17 Å²	17	40.5 Å²	40.5	9%	0.091	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	109.6	172.7	-175.7	3.7	0	0	0	110.3	R109 S207 V208 D219 S220	R109-D217 HydrophobicContact CB-CB 4.21Å; R109-D217 IonicContact CZ-OD2 3.75Å; R109-D217 VanDerWaalsContact CZ-OD2 3.29Å; R109-D217 IonicContact NE-OD2 3.2Å; R109-D217 PolarHBondContact NE-OD2 3.5Å; R109-D217 IonicContact NH2-OD2 3.9Å; R109-D217 PolarHBondContact NH2-OD2 2.8Å; R109-D217 PolarHBondContact O-N 3.01Å; S207-D217 PolarHBondContact OG-OD1 2.76Å; S207-D217 VanDerWaalsContact OG-OD1 3.09Å; V208-D217 HydrophobicContact CG2-CB 4.44Å; D217-D219 VanDerWaalsContact C-N 3.28Å; D217-D219 PolarHBondContact O-N 2.82Å; D217-D219 PolarHBondContact OD1-N 2.74Å; D217-S220 WeakPolarHBondContact O-CB 3.43Å; D217-S220 PolarHBondContact O-N 2.81Å; D217-S220 VanDerWaalsContact O-N 3.14Å; D217-S220 PolarHBondContact O-OG 3.14Å
218	M	86.3	Confident	85.4	Confident	48 Å²	48	46.8 Å²	46.8	24%	0.236	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	-34.8	-174.5	-70.7	171.2	41.2	0	0	112.9	R195 I198 T200 S207 V216 S220 I221	R195-M218 PolarHBondContact NH1-O 3.32Å; I198-M218 HydrophobicContact CB-CG 4.45Å; I198-M218 HydrophobicContact CD1-CG 3.91Å; I198-M218 HydrophobicContact CG2-CG 3.97Å; I198-M218 HydrophobicContact CG2-SD 4.12Å; T200-M218 HydrophobicContact CG2-CE 4.4Å; T200-M218 HydrophobicContact CG2-SD 3.33Å; T200-M218 WeakPolarHBondContact CG2-SD 3.49Å; S207-M218 VanDerWaalsContact O-CB 3.28Å; S207-M218 WeakPolarHBondContact O-CB 3.29Å; S207-M218 WeakPolarHBondContact O-CG 3.37Å; S207-M218 PolarHBondContact O-N 2.73Å; V216-M218 PolarHBondContact O-N 2.87Å; M218-S220 PolarHBondContact O-N 3.35Å; M218-I221 PolarHBondContact O-N 2.6Å
219	D	85.9	Confident	85.3	Confident	121 Å²	121	46.6 Å²	46.6	65%	0.647	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	-12.5	-177.3	-63	-28.9	0	0	0	112.4	S207 D217	S207-D219 WeakPolarHBondContact CB-OD2 3.47Å; D217-D219 VanDerWaalsContact C-N 3.28Å; D217-D219 PolarHBondContact O-N 2.82Å; D217-D219 PolarHBondContact OD1-N 2.74Å
220	S	88.1	Confident	85.3	Confident	16 Å²	16	47.7 Å²	47.7	11%	0.112	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-10.1	179.2	75	0	0	0	0	114.4	R109 D217 M218	R109-S220 WeakPolarHBondContact CB-OG 3.37Å; R109-S220 PolarHBondContact N-OG 3.23Å; D217-S220 WeakPolarHBondContact O-CB 3.43Å; D217-S220 PolarHBondContact O-N 2.81Å; D217-S220 VanDerWaalsContact O-N 3.14Å; D217-S220 PolarHBondContact O-OG 3.14Å; M218-S220 PolarHBondContact O-N 3.35Å
221	I	91	Very high	85.1	Confident	5 Å²	5	44.7 Å²	44.7	3%	0.026	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	129.2	-177.5	-60	168.3	0	0	0	109.5	M107 F108 E191 L194 R195 I198 V216 M218	M107-I221 WeakPolarHBondContact O-CA 3.42Å; F108-I221 HydrophobicContact CB-CG1 3.79Å; E191-I221 HydrophobicContact CG-CG2 3.97Å; L194-I221 HydrophobicContact CD2-CG2 3.97Å; R195-I221 HydrophobicContact CG-CD1 4.08Å; R195-I221 PolarHBondContact NH2-O 2.97Å; I198-I221 HydrophobicContact CD1-CD1 3.36Å; V216-I221 HydrophobicContact CG1-CD1 4.25Å; V216-I221 HydrophobicContact CG1-CG1 4.36Å; M218-I221 PolarHBondContact O-N 2.6Å
222	L	91.7	Very high	84.7	Confident	24 Å²	24	47.2 Å²	47.2	13%	0.126	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	136.1	170.4	175.2	69.2	0	0	0	108.9	G106 M107 M306 R309	G106-L222 CarbonylContact C-O 3.45Å; G106-L222 VanDerWaalsContact CA-O 3.24Å; G106-L222 WeakPolarHBondContact CA-O 3.42Å; M107-L222 HydrophobicContact CG-CB 3.96Å; M107-L222 PolarHBondContact N-O 2.96Å; M107-L222 PolarHBondContact O-N 2.78Å; M107-L222 HydrophobicContact SD-CB 4.42Å; M107-L222 HydrophobicContact SD-CD2 4.32Å; L222-M306 HydrophobicContact CB-CE 4.01Å; L222-M306 HydrophobicContact CD2-CE 3.73Å; L222-M306 HydrophobicContact CG-CE 3.68Å; L222-M306 VanDerWaalsContact O-CE 3.29Å; L222-M306 WeakPolarHBondContact O-CE 3.28Å; L222-R309 HydrophobicContact CD2-CG 3.67Å
223	I	92.1	Very high	84.4	Confident	2 Å²	2	41.2 Å²	41.2	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	128.1	175.4	-55.4	-175.8	0	0	0	109.6	F104 A105 Y142 M173 I190 E191 L194	F104-I223 HydrophobicContact CB-CG2 3.95Å; F104-I223 HydrophobicContact CD1-CG2 4.08Å; F104-I223 HydrophobicContact CG-CG2 4.37Å; A105-I223 CarbonylContact O-C 3.49Å; A105-I223 WeakPolarHBondContact O-CA 2.99Å; Y142-I223 WeakPolarHBondContact OH-CD1 3.34Å; M173-I223 HydrophobicContact CE-CD1 3.77Å; M173-I223 HydrophobicContact CE-CG1 4.43Å; M173-I223 HydrophobicContact CE-CG2 3.64Å; I190-I223 HydrophobicContact CG2-CD1 4.25Å; I190-I223 HydrophobicContact CG2-CG2 4.29Å; E191-I223 HydrophobicContact CB-CB 4.25Å; E191-I223 HydrophobicContact CB-CD1 4.3Å; E191-I223 HydrophobicContact CB-CG1 4.33Å; E191-I223 HydrophobicContact CG-CD1 4.47Å; E191-I223 HydrophobicContact CG-CG1 4.27Å; E191-I223 PolarHBondContact OE2-N 3.3Å; L194-I223 HydrophobicContact CB-CD1 4.48Å; L194-I223 HydrophobicContact CD2-CD1 4.06Å
224	N	90.4	Very high	83.6	Confident	14 Å²	14	33.6 Å²	33.6	8%	0.075	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	147.9	175.4	-67.7	126.1	0	0	0	112.3	F104 A105 E187 R307 G308	F104-N224 CarbonylContact C-O 3.56Å; F104-N224 VanDerWaalsContact CA-O 3.25Å; F104-N224 WeakPolarHBondContact CA-O 3.49Å; A105-N224 PolarHBondContact N-O 3.47Å; A105-N224 PolarHBondContact O-N 3.24Å; E187-N224 VanDerWaalsContact OE2-CA 3.31Å; E187-N224 WeakPolarHBondContact OE2-CA 3.18Å; E187-N224 PolarHBondContact OE2-ND2 3.45Å; N224-R307 PolarHBondContact OD1-N 2.8Å; N224-G308 PolarHBondContact OD1-N 2.94Å
225	G	86.8	Confident	82.4	Confident	11 Å²	11	35.6 Å²	35.6	11%	0.113	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	135.3	174	0	0	0	0	0	110.2	E187	E187-G225 WeakPolarHBondContact OE1-CA 3.49Å; E187-G225 PolarHBondContact OE1-N 2.99Å; E187-G225 PolarHBondContact OE2-N 3.45Å
226	V	84.1	Confident	80.6	Confident	19 Å²	19	40 Å²	40	12%	0.115	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	163	-173.2	-66.9	0	0	0	0	111.8	Y103 A105 W172 P305	Y103-V226 VanDerWaalsContact C-CG2 3.5Å; Y103-V226 WeakPolarHBondContact O-CG2 3.39Å; Y103-V226 PolarHBondContact O-N 2.76Å; A105-V226 HydrophobicContact CB-CG1 3.8Å; W172-V226 HydrophobicContact CE3-CG2 4Å; W172-V226 HydrophobicContact CH2-CG2 4.38Å; W172-V226 HydrophobicContact CZ3-CB 4Å; W172-V226 HydrophobicContact CZ3-CG1 3.97Å; W172-V226 HydrophobicContact CZ3-CG2 3.38Å; V226-P305 WeakPolarHBondContact CG1-O 3.07Å
227	Q	80.8	Confident	78.9	Confident	74 Å²	74	46.2 Å²	46.2	35%	0.346	26%	0.255	S	S	.	.			trans	-79.8	152.6	176	-59.3	-174.8	10.8	0	0	110.7	S229 D230 Y231	Q227-S229 WeakPolarHBondContact CB-OG 3.4Å; Q227-S229 PolarHBondContact O-N 2.85Å; Q227-D230 WeakPolarHBondContact CB-OD2 3.41Å; Q227-D230 PolarHBondContact N-OD2 2.85Å; Q227-D230 WeakPolarHBondContact O-CB 3.01Å; Q227-D230 PolarHBondContact O-N 2.92Å; Q227-D230 VanDerWaalsContact O-N 3.08Å; Q227-Y231 PolarHBondContact O-N 3.09Å
228	R	81.1	Confident	77.5	Confident	178 Å²	178	46.8 Å²	46.8	67%	0.672	26%	0.261	S	S	*	.	H	α-helix	trans	-55.2	-36.5	172.8	179.4	174.3	176.6	178.1	1	112.2	Y103 D230 Y231 S232	Y103-R228 HydrophobicContact CD2-CB 4.03Å; Y103-R228 HydrophobicContact CE2-CB 3.57Å; Y103-R228 HydrophobicContact CE2-CG 3.77Å; R228-D230 VanDerWaalsContact C-N 3.3Å; R228-D230 PolarHBondContact O-N 3.17Å; R228-Y231 PolarHBondContact O-N 3.38Å; R228-S232 PolarHBondContact O-N 3.22Å; R228-S232 PolarHBondContact O-OG 2.98Å; R228-S232 VanDerWaalsContact O-OG 3.11Å
229	S	76.3	Confident	76.4	Confident	28 Å²	28	54.3 Å²	54.3	20%	0.196	30%	0.296	C	S	.	.	H	α-helix	trans	-59.3	-42.4	177.7	51.2	0	0	0	0	111.9	Q227 Y231 S232 S233 N265	Q227-S229 WeakPolarHBondContact CB-OG 3.4Å; Q227-S229 PolarHBondContact O-N 2.85Å; S229-Y231 VanDerWaalsContact C-N 3.33Å; S229-Y231 PolarHBondContact O-N 3.17Å; S229-S232 WeakPolarHBondContact CA-OG 3.34Å; S229-S232 PolarHBondContact O-N 2.97Å; S229-S232 PolarHBondContact O-OG 3.26Å; S229-S233 WeakPolarHBondContact O-CB 3.5Å; S229-S233 PolarHBondContact O-N 3.08Å; S229-S233 PolarHBondContact O-OG 2.8Å; S229-N265 PolarHBondContact OG-ND2 3.09Å
230	D	79.9	Confident	75.9	Confident	22 Å²	22	49.6 Å²	49.6	12%	0.118	27%	0.272	C	S	.	.	H	α-helix	trans	-70.1	-32.2	-177.7	-54.1	-31.2	0	0	0	111.6	Q227 R228 S233 N234 N265 P305	Q227-D230 WeakPolarHBondContact CB-OD2 3.41Å; Q227-D230 PolarHBondContact N-OD2 2.85Å; Q227-D230 WeakPolarHBondContact O-CB 3.01Å; Q227-D230 PolarHBondContact O-N 2.92Å; Q227-D230 VanDerWaalsContact O-N 3.08Å; R228-D230 VanDerWaalsContact C-N 3.3Å; R228-D230 PolarHBondContact O-N 3.17Å; D230-S233 WeakPolarHBondContact CA-OG 3.34Å; D230-S233 PolarHBondContact O-OG 3.1Å; D230-S233 VanDerWaalsContact O-OG 3.09Å; D230-N234 WeakPolarHBondContact O-CB 2.92Å; D230-N234 PolarHBondContact O-N 3.33Å; D230-N234 PolarHBondContact O-ND2 3.17Å; D230-N265 PolarHBondContact OD1-ND2 2.9Å; D230-P305 HydrophobicContact CB-CG 3.94Å
231	Y	80.2	Confident	75.3	Confident	37 Å²	37	50.6 Å²	50.6	15%	0.145	28%	0.277	C	S	.	.	H	α-helix	trans	-67.7	-51.4	171.1	177.2	-102.8	0	0	0	110.8	Y103 W172 V174 Q227 R228 S229 S233 N234 T235	Y103-Y231 AromaticContact CD1-CD1 3.84Å; Y103-Y231 HydrophobicContact CD1-CD1 3.84Å; Y103-Y231 HydrophobicContact CD1-CD2 4.18Å; Y103-Y231 HydrophobicContact CD1-CE1 4.48Å; Y103-Y231 AromaticContact CD1-CG 3.65Å; Y103-Y231 HydrophobicContact CD1-CG 3.65Å; Y103-Y231 AromaticContact CE1-CD1 3.56Å; Y103-Y231 HydrophobicContact CE1-CD1 3.56Å; Y103-Y231 HydrophobicContact CE1-CE1 4.06Å; Y103-Y231 AromaticContact CE1-CG 3.9Å; Y103-Y231 HydrophobicContact CE1-CG 3.9Å; W172-Y231 HydrophobicContact CB-CD2 3.92Å; W172-Y231 HydrophobicContact CB-CE2 3.69Å; W172-Y231 AromaticContact CD2-CD2 3.72Å; W172-Y231 HydrophobicContact CD2-CD2 3.72Å; W172-Y231 HydrophobicContact CD2-CE2 4.32Å; W172-Y231 HydrophobicContact CE3-CD2 4.03Å; W172-Y231 AromaticContact CG-CD2 3.7Å; W172-Y231 HydrophobicContact CG-CD2 3.7Å; W172-Y231 AromaticContact CG-CE2 3.79Å; W172-Y231 HydrophobicContact CG-CE2 3.79Å; V174-Y231 HydrophobicContact CG2-CE2 4.23Å; Q227-Y231 PolarHBondContact O-N 3.09Å; R228-Y231 PolarHBondContact O-N 3.38Å; S229-Y231 VanDerWaalsContact C-N 3.33Å; S229-Y231 PolarHBondContact O-N 3.17Å; Y231-S233 VanDerWaalsContact C-N 3.29Å; Y231-S233 PolarHBondContact O-N 3.29Å; Y231-N234 PolarHBondContact O-N 3.5Å; Y231-N234 VanDerWaalsContact O-N 3.17Å; Y231-T235 HydrophobicContact CE1-CG2 4.15Å; Y231-T235 HydrophobicContact CE2-CG2 4.28Å; Y231-T235 WeakPolarHBondContact O-CG2 3.39Å; Y231-T235 PolarHBondContact O-N 2.98Å
232	S	75.1	Confident	74.8	Confident	54 Å²	54	53.8 Å²	53.8	38%	0.378	29%	0.294	S	S	.	.	H	α-helix	trans	-64.9	-29.6	-178.4	51.1	0	0	0	0	114.2	R228 S229 N234 T235	R228-S232 PolarHBondContact O-N 3.22Å; R228-S232 PolarHBondContact O-OG 2.98Å; R228-S232 VanDerWaalsContact O-OG 3.11Å; S229-S232 WeakPolarHBondContact CA-OG 3.34Å; S229-S232 PolarHBondContact O-N 2.97Å; S229-S232 PolarHBondContact O-OG 3.26Å; S232-N234 VanDerWaalsContact C-N 3.34Å; S232-T235 PolarHBondContact O-OG1 2.8Å
233	S	69.4	Low	74.5	Confident	4 Å²	4	57.2 Å²	57.2	3%	0.028	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-14.3	177.1	55.6	0	0	0	0	113.7	S229 D230 Y231 S238 V241 N265 H267	S229-S233 WeakPolarHBondContact O-CB 3.5Å; S229-S233 PolarHBondContact O-N 3.08Å; S229-S233 PolarHBondContact O-OG 2.8Å; D230-S233 WeakPolarHBondContact CA-OG 3.34Å; D230-S233 PolarHBondContact O-OG 3.1Å; D230-S233 VanDerWaalsContact O-OG 3.09Å; Y231-S233 VanDerWaalsContact C-N 3.29Å; Y231-S233 PolarHBondContact O-N 3.29Å; S233-S238 PolarHBondContact O-OG 3.24Å; S233-V241 WeakPolarHBondContact O-CG2 3.49Å; S233-N265 WeakPolarHBondContact CB-O 3.45Å; S233-H267 PolarHBondContact OG-CD2 3.13Å; S233-H267 PolarHBondContact OG-NE2 3.46Å
234	N	63	Low	74.3	Confident	8 Å²	8	59 Å²	59	4%	0.043	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-6.2	-178.6	-81	-60.8	0	0	0	113.6	W172 D230 Y231 S232 H267	W172-N234 HydrophobicContact CZ2-CB 3.67Å; D230-N234 WeakPolarHBondContact O-CB 2.92Å; D230-N234 PolarHBondContact O-N 3.33Å; D230-N234 PolarHBondContact O-ND2 3.17Å; Y231-N234 PolarHBondContact O-N 3.5Å; Y231-N234 VanDerWaalsContact O-N 3.17Å; S232-N234 VanDerWaalsContact C-N 3.34Å; N234-H267 PolarHBondContact ND2-CD2 2.67Å; N234-H267 PolarHBondContact ND2-NE2 3.5Å; N234-H267 VanDerWaalsContact ND2-NE2 3.1Å; N234-H267 WeakPolarHBondContact OD1-CB 3.44Å; N234-H267 PolarHBondContact OD1-CD2 2.77Å; N234-H267 VanDerWaalsContact OD1-CG 3.32Å
235	T	61.4	Low	74.3	Confident	47 Å²	47	62.3 Å²	62.3	29%	0.288	33%	0.33	S	S	.	.	S	Bend	trans	-73.7	146.1	175.5	46.1	0	0	0	0	111.4	Y231 S232 D237 S238	Y231-T235 HydrophobicContact CE1-CG2 4.15Å; Y231-T235 HydrophobicContact CE2-CG2 4.28Å; Y231-T235 WeakPolarHBondContact O-CG2 3.39Å; Y231-T235 PolarHBondContact O-N 2.98Å; S232-T235 PolarHBondContact O-OG1 2.8Å; T235-D237 PolarHBondContact O-N 2.9Å; T235-S238 PolarHBondContact O-N 3.02Å; T235-S238 PolarHBondContact O-OG 3.37Å
236	A	51.5	Low	74.3	Confident	107 Å²	107	61.9 Å²	61.9	88%	0.884	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-21	-170.9	0	0	0	0	0	115.7	S238	A236-S238 VanDerWaalsContact C-N 3.34Å; A236-S238 PolarHBondContact O-N 3.24Å
237	D	52.4	Low	74.2	Confident	134 Å²	134	65.7 Å²	65.7	72%	0.717	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	1.6	178.8	-68.8	-31.1	0	0	0	114.5	T235	T235-D237 PolarHBondContact O-N 2.9Å
238	S	59.9	Low	74.2	Confident	30 Å²	30	67.2 Å²	67.2	21%	0.21	36%	0.355	C	S	.	.			trans	-92	130.2	-179.1	68.2	0	0	0	0	112.3	S233 T235 A236 C240	S233-S238 PolarHBondContact O-OG 3.24Å; T235-S238 PolarHBondContact O-N 3.02Å; T235-S238 PolarHBondContact O-OG 3.37Å; A236-S238 VanDerWaalsContact C-N 3.34Å; A236-S238 PolarHBondContact O-N 3.24Å; S238-C240 PolarHBondContact O-N 3.39Å
239	Q	64.3	Low	73.9	Confident	206 Å²	206	63.2 Å²	63.2	96%	0.963	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	15.2	176	-63.9	-177.6	-7.3	0	0	113.9
240	C	74.1	Confident	73.7	Confident	21 Å²	21	64.3 Å²	64.3	14%	0.142	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.7	13.3	-159.2	176.6	0	0	0	0	111	S238 N265 C266 H267	S238-C240 PolarHBondContact O-N 3.39Å; C240-N265 VanDerWaalsContact SG-C 3.52Å; C240-N265 PolarHBondContact SG-O 2.85Å; C240-C266 HydrophobicContact CB-CB 4.18Å; C240-C266 WeakPolarHBondContact CB-SG 3.48Å; C240-C266 CarbonylContact O-C 3.53Å; C240-C266 VanDerWaalsContact O-CA 3.29Å; C240-C266 WeakPolarHBondContact O-CA 3.25Å; C240-C266 VanDerWaalsContact O-CB 3.27Å; C240-C266 WeakPolarHBondContact O-CB 2.99Å; C240-C266 WeakPolarHBondContact SG-CA 3.42Å; C240-C266 WeakPolarHBondContact SG-CB 3.47Å; C240-C266 CovalentContact SG-SG 2.03Å; C240-C266 PolarHBondContact SG-SG 2.77Å; C240-H267 PolarHBondContact O-N 3.37Å
241	V	76.3	Confident	73.9	Confident	38 Å²	38	65 Å²	65	23%	0.23	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	122.8	165.2	-175	0	0	0	0	109.1	S233 H267 K269	S233-V241 WeakPolarHBondContact O-CG2 3.49Å; V241-H267 CarbonylContact C-O 3.6Å; V241-H267 VanDerWaalsContact CA-O 3.25Å; V241-H267 WeakPolarHBondContact CA-O 3.37Å; V241-H267 HydrophobicContact CG2-CB 4.45Å; V241-K269 HydrophobicContact CG1-CD 4.06Å; V241-K269 HydrophobicContact CG1-CG 4.42Å
242	D	80.6	Confident	74.3	Confident	72 Å²	72	66.5 Å²	66.5	39%	0.385	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	143.6	170.8	-156.1	-3	0	0	0	110.4	H267 V268 K269	D242-H267 PolarHBondContact N-O 2.88Å; D242-V268 HydrophobicContact CB-CG1 4.38Å; D242-V268 HydrophobicContact CB-CG2 4.32Å; D242-V268 CarbonylContact O-C 3.52Å; D242-V268 WeakPolarHBondContact O-CA 3.29Å; D242-K269 PolarHBondContact O-N 2.9Å
243	K	85.4	Confident	75	Confident	96 Å²	96	65.7 Å²	65.7	42%	0.417	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	111.9	-178.8	-72	-172	172.4	-166.6	0	109.2	D158 K269	D158-K243 WeakPolarHBondContact OD1-CE 3.39Å; D158-K243 IonicContact OD1-NZ 3.29Å; D158-K243 PolarHBondContact OD1-NZ 3.23Å; K243-K269 HydrophobicContact CG-CB 4.19Å; K243-K269 HydrophobicContact CG-CD 4.3Å
244	L	88.3	Confident	75.9	Confident	40 Å²	40	69.8 Å²	69.8	21%	0.209	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	142.8	-177.5	-57.6	173.7	0	0	0	110.8	L255 V268 K269 L270 T271 F348	L244-L255 HydrophobicContact CD1-CD2 3.23Å; L244-V268 HydrophobicContact CD1-CG1 3.71Å; L244-V268 HydrophobicContact CG-CG1 4.2Å; L244-K269 PolarHBondContact N-O 2.94Å; L244-L270 HydrophobicContact CB-CD2 4.02Å; L244-L270 HydrophobicContact CD1-CD2 4.09Å; L244-T271 PolarHBondContact O-N 2.81Å; L244-T271 PolarHBondContact O-OG1 3.48Å; L244-F348 HydrophobicContact CB-CE1 3.83Å; L244-F348 HydrophobicContact CB-CZ 3.69Å; L244-F348 HydrophobicContact CD1-CE1 4.05Å
245	Y	89.1	Confident	77.1	Confident	83 Å²	83	69.8 Å²	69.8	33%	0.325	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	126.1	-176.4	180	-114.3	0	0	0	111.4	R120 N247 T271	R120-Y245 VanDerWaalsContact NH1-CZ 3.33Å; R120-Y245 PolarHBondContact NH1-OH 3.42Å; R120-Y245 PolarHBondContact NH2-OH 3.09Å; Y245-N247 HydrophobicContact CD1-CB 3.93Å; Y245-N247 HydrophobicContact CE1-CB 3.46Å; Y245-N247 VanDerWaalsContact CE1-CB 3.46Å; Y245-T271 CarbonylContact C-O 3.19Å; Y245-T271 VanDerWaalsContact CA-O 3.29Å; Y245-T271 WeakPolarHBondContact CA-O 3.42Å; Y245-T271 WeakPolarHBondContact CD2-O 3.13Å; Y245-T271 WeakPolarHBondContact CD2-OG1 3.21Å
246	A	88.1	Confident	78	Confident	2 Å²	2	71.9 Å²	71.9	2%	0.017	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	109.5	171	0	0	0	0	0	110.1	V253 T271 A272 V273 F348 A350	A246-V253 HydrophobicContact CB-CG2 4.38Å; A246-T271 PolarHBondContact N-O 3.28Å; A246-A272 WeakPolarHBondContact O-CA 3.29Å; A246-V273 PolarHBondContact O-N 2.86Å; A246-V273 VanDerWaalsContact O-N 3.1Å; A246-F348 HydrophobicContact CB-CD2 4.26Å; A246-F348 HydrophobicContact CB-CE2 3.63Å; A246-F348 HydrophobicContact CB-CZ 4.39Å; A246-A350 HydrophobicContact CB-CB 4Å
247	N	81.6	Confident	79.1	Confident	99 Å²	99	67.2 Å²	67.2	53%	0.529	38%	0.381	S	S	.	.			trans	-95	-25.5	-177.6	64.5	-18.7	0	0	0	113.9	Y245	Y245-N247 HydrophobicContact CD1-CB 3.93Å; Y245-N247 HydrophobicContact CE1-CB 3.46Å; Y245-N247 VanDerWaalsContact CE1-CB 3.46Å
248	L	80	Confident	79.9	Confident	105 Å²	105	66.5 Å²	66.5	55%	0.55	37%	0.369	S	S	.	.	S	Bend	trans	-109.6	121.1	-175.7	-70.6	168.7	0	0	0	109.8	G250 A251	L248-G250 PolarHBondContact O-N 3.38Å; L248-A251 HydrophobicContact CB-CB 3.66Å; L248-A251 WeakPolarHBondContact O-CB 3.3Å; L248-A251 PolarHBondContact O-N 2.85Å; L248-A251 VanDerWaalsContact O-N 3.15Å
249	P	76.2	Confident	79.8	Confident	95 Å²	95	67.6 Å²	67.6	62%	0.617	38%	0.377	S	S	*	.	B	Isolated β-bridge	trans	-56.8	130.2	174.8	-24.3	33.9	0	0	0	111.5	A251 A350	P249-A251 PolarHBondContact O-N 3.08Å; P249-A350 WeakPolarHBondContact CA-O 3.36Å
250	G	71.4	Confident	79.3	Confident	50 Å²	50	62.7 Å²	62.7	52%	0.515	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	-0.8	-178.8	0	0	0	0	0	116	L248 A350	L248-G250 PolarHBondContact O-N 3.38Å; G250-A350 PolarHBondContact N-O 2.89Å
251	A	84.2	Confident	78.4	Confident	36 Å²	36	66.1 Å²	66.1	30%	0.298	38%	0.375	S	S	.	.			trans	-77	124.7	170.3	0	0	0	0	0	110	L248 P249 E349	L248-A251 HydrophobicContact CB-CB 3.66Å; L248-A251 WeakPolarHBondContact O-CB 3.3Å; L248-A251 PolarHBondContact O-N 2.85Å; L248-A251 VanDerWaalsContact O-N 3.15Å; P249-A251 PolarHBondContact O-N 3.08Å; A251-E349 WeakPolarHBondContact O-CB 3.23Å
252	S	87.4	Confident	76.9	Confident	69 Å²	69	68 Å²	68	48%	0.483	40%	0.402	S	S	.	.			trans	-82.8	123.8	179	-179.9	0	0	0	0	110.9	H347	S252-H347 WeakPolarHBondContact OG-CB 3.47Å; S252-H347 PolarHBondContact OG-CD2 3.33Å
253	V	89.8	Confident	75.8	Confident	38 Å²	38	66.6 Å²	66.6	23%	0.23	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	113.8	174.3	-176.3	0	0	0	0	108.3	A246 H347 F348	A246-V253 HydrophobicContact CB-CG2 4.38Å; V253-H347 CarbonylContact O-C 3.53Å; V253-H347 WeakPolarHBondContact O-CA 3.21Å; V253-H347 WeakPolarHBondContact O-CB 3.01Å; V253-F348 HydrophobicContact CB-CD1 3.78Å; V253-F348 HydrophobicContact CB-CE1 3.38Å; V253-F348 HydrophobicContact CB-CE2 4.48Å; V253-F348 HydrophobicContact CB-CG 4.49Å; V253-F348 HydrophobicContact CB-CZ 3.77Å; V253-F348 HydrophobicContact CG1-CD1 4.12Å; V253-F348 HydrophobicContact CG1-CE1 3.34Å; V253-F348 HydrophobicContact CG1-CZ 3.83Å; V253-F348 HydrophobicContact CG2-CE1 4.17Å; V253-F348 HydrophobicContact CG2-CZ 4.03Å; V253-F348 PolarHBondContact N-O 2.03Å; V253-F348 PolarHBondContact O-N 2.78Å
254	P	89.6	Confident	74.8	Confident	90 Å²	90	66.5 Å²	66.5	58%	0.584	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	143.6	-175.8	28.5	-34.6	0	0	0	111.9
255	L	87	Confident	74	Confident	8 Å²	8	65.1 Å²	65.1	4%	0.042	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	103.2	176	-64.1	173.3	0	0	0	108.8	L244 V268 L270 L280 L333 F344 N345 G346 F348	L244-L255 HydrophobicContact CD1-CD2 3.23Å; L255-V268 HydrophobicContact CD2-CG1 4.43Å; L255-L270 HydrophobicContact CD1-CD1 4.32Å; L255-L270 HydrophobicContact CD1-CD2 4.47Å; L255-L270 HydrophobicContact CD2-CD2 4.22Å; L255-L280 HydrophobicContact CD1-CD1 3.51Å; L255-L333 HydrophobicContact CD1-CD1 3.81Å; L255-F344 HydrophobicContact CB-CD1 4.42Å; L255-F344 HydrophobicContact CB-CE1 3.72Å; L255-F344 HydrophobicContact CD1-CE1 4.29Å; L255-N345 CarbonylContact O-C 3.53Å; L255-G346 PolarHBondContact N-O 2.87Å; L255-G346 PolarHBondContact O-N 3.06Å; L255-F348 HydrophobicContact CD1-CB 4.26Å; L255-F348 HydrophobicContact CD1-CD1 3.78Å; L255-F348 HydrophobicContact CD1-CG 4.44Å; L255-F348 HydrophobicContact CD2-CD1 3.92Å; L255-F348 HydrophobicContact CD2-CE1 4.05Å; L255-F348 HydrophobicContact CG-CD1 3.83Å; L255-F348 HydrophobicContact CG-CE1 4.43Å
256	N	81.4	Confident	73.6	Confident	90 Å²	90	61.5 Å²	61.5	48%	0.481	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	111	176.1	-63	-37.7	0	0	0	108.5	Y258 F344 N345	N256-Y258 HydrophobicContact CB-CE2 3.81Å; N256-F344 WeakPolarHBondContact CA-O 3.27Å; N256-N345 PolarHBondContact OD1-OD1 3.42Å
257	V	74.1	Confident	73.5	Confident	10 Å²	10	61.4 Å²	61.4	6%	0.061	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	121.2	179.1	-176.1	0	0	0	0	108.3	W261 F335 M337 S343 F344	V257-W261 HydrophobicContact CG1-CD2 4.47Å; V257-W261 HydrophobicContact CG1-CE3 4.25Å; V257-W261 HydrophobicContact CG1-CZ3 4.39Å; V257-F335 HydrophobicContact CB-CE1 4.39Å; V257-F335 HydrophobicContact CB-CZ 4.45Å; V257-F335 HydrophobicContact CG2-CE1 4.31Å; V257-F335 HydrophobicContact CG2-CE2 4.13Å; V257-F335 HydrophobicContact CG2-CZ 3.88Å; V257-M337 HydrophobicContact CG1-CE 4.22Å; V257-S343 WeakPolarHBondContact O-CA 3.15Å; V257-F344 HydrophobicContact CB-CB 4.3Å; V257-F344 HydrophobicContact CG2-CD1 4.3Å; V257-F344 PolarHBondContact N-O 3.27Å; V257-F344 PolarHBondContact O-N 3.11Å
258	Y	68.6	Low	73.8	Confident	119 Å²	119	56.9 Å²	56.9	47%	0.467	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	151.9	177.3	-56.4	-73.1	0	0	0	110	N256 S260 N345	N256-Y258 HydrophobicContact CB-CE2 3.81Å; Y258-S260 PolarHBondContact O-N 2.74Å; Y258-S260 PolarHBondContact O-OG 3.49Å; Y258-N345 PolarHBondContact OH-OD1 3.18Å
259	S	57.6	Low	74.4	Confident	53 Å²	53	52.3 Å²	52.3	37%	0.371	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	20.7	-176.7	80.1	0	0	0	0	116.2	W261 K342	S259-W261 PolarHBondContact O-N 3.02Å; S259-K342 PolarHBondContact N-O 2.85Å; S259-K342 VanDerWaalsContact N-O 3.16Å
260	S	54.4	Low	75.2	Confident	103 Å²	103	47.8 Å²	47.8	72%	0.72	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-9.1	168.2	51.9	0	0	0	0	112.5	Y258 G262	Y258-S260 PolarHBondContact O-N 2.74Å; Y258-S260 PolarHBondContact O-OG 3.49Å; S260-G262 PolarHBondContact O-N 3.16Å; S260-G262 VanDerWaalsContact O-N 3.17Å
261	W	55.6	Low	76.1	Confident	92 Å²	92	46.7 Å²	46.7	35%	0.348	30%	0.297	S	S	.	.	S	Bend	trans	-85.3	82	175.6	-60	11.4	0	0	0	108.1	V257 S259 G263 C266	V257-W261 HydrophobicContact CG1-CD2 4.47Å; V257-W261 HydrophobicContact CG1-CE3 4.25Å; V257-W261 HydrophobicContact CG1-CZ3 4.39Å; S259-W261 PolarHBondContact O-N 3.02Å; W261-G263 PolarHBondContact O-N 3.49Å; W261-C266 HydrophobicContact CE3-CB 3.34Å; W261-C266 HydrophobicContact CZ3-CB 3.42Å; W261-C266 VanDerWaalsContact CZ3-CB 3.42Å
262	G	44.2	Very low	76.4	Confident	77 Å²	77	45 Å²	45	79%	0.794	28%	0.283	S	S	*	.			trans	-65.6	104.4	-175.2	0	0	0	0	0	112.7	S260	S260-G262 PolarHBondContact O-N 3.16Å; S260-G262 VanDerWaalsContact O-N 3.17Å
263	G	58.1	Low	76.3	Confident	44 Å²	44	43.6 Å²	43.6	45%	0.454	27%	0.271	S	S	.	.	S	Bend	trans	70.4	144.7	170.6	0	0	0	0	0	114.8	W261	W261-G263 PolarHBondContact O-N 3.49Å
264	V	63.5	Low	76	Confident	94 Å²	94	44.5 Å²	44.5	57%	0.57	28%	0.278	S	S	*	.	S	Bend	trans	82.6	133.9	174.3	-149.1	0	0	0	0	114.2	C266	V264-C266 PolarHBondContact O-N 2.76Å
265	N	72.9	Confident	75.6	Confident	11 Å²	11	42.5 Å²	42.5	6%	0.059	27%	0.273	C	S	.	.			trans	-47.1	126.6	-176.8	-53	-1.8	0	0	0	111.9	S229 D230 S233 C240 F335 R336	S229-N265 PolarHBondContact OG-ND2 3.09Å; D230-N265 PolarHBondContact OD1-ND2 2.9Å; S233-N265 WeakPolarHBondContact CB-O 3.45Å; C240-N265 VanDerWaalsContact SG-C 3.52Å; C240-N265 PolarHBondContact SG-O 2.85Å; N265-F335 CarbonylContact C-O 3.54Å; N265-F335 VanDerWaalsContact CA-O 3.3Å; N265-F335 WeakPolarHBondContact CA-O 3.29Å; N265-R336 WeakPolarHBondContact OD1-CG 3.25Å
266	C	79.1	Confident	75.7	Confident	7 Å²	7	42.6 Å²	42.6	5%	0.047	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	151.7	174.5	-64.3	0	0	0	0	113	C240 W261 V264 F335	C240-C266 HydrophobicContact CB-CB 4.18Å; C240-C266 WeakPolarHBondContact CB-SG 3.48Å; C240-C266 CarbonylContact O-C 3.53Å; C240-C266 VanDerWaalsContact O-CA 3.29Å; C240-C266 WeakPolarHBondContact O-CA 3.25Å; C240-C266 VanDerWaalsContact O-CB 3.27Å; C240-C266 WeakPolarHBondContact O-CB 2.99Å; C240-C266 WeakPolarHBondContact SG-CA 3.42Å; C240-C266 WeakPolarHBondContact SG-CB 3.47Å; C240-C266 CovalentContact SG-SG 2.03Å; C240-C266 PolarHBondContact SG-SG 2.77Å; W261-C266 HydrophobicContact CE3-CB 3.34Å; W261-C266 HydrophobicContact CZ3-CB 3.42Å; W261-C266 VanDerWaalsContact CZ3-CB 3.42Å; V264-C266 PolarHBondContact O-N 2.76Å; C266-F335 PolarHBondContact N-O 2.8Å; C266-F335 PolarHBondContact O-N 2.99Å
267	H	86.1	Confident	76.2	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	134.4	-171.8	-66.3	-63.3	0	0	0	110.8	S233 N234 C240 V241 D242 L332 L333 S334	S233-H267 PolarHBondContact OG-CD2 3.13Å; S233-H267 PolarHBondContact OG-NE2 3.46Å; N234-H267 PolarHBondContact ND2-CD2 2.67Å; N234-H267 PolarHBondContact ND2-NE2 3.5Å; N234-H267 VanDerWaalsContact ND2-NE2 3.1Å; N234-H267 WeakPolarHBondContact OD1-CB 3.44Å; N234-H267 PolarHBondContact OD1-CD2 2.77Å; N234-H267 VanDerWaalsContact OD1-CG 3.32Å; C240-H267 PolarHBondContact O-N 3.37Å; V241-H267 CarbonylContact C-O 3.6Å; V241-H267 VanDerWaalsContact CA-O 3.25Å; V241-H267 WeakPolarHBondContact CA-O 3.37Å; V241-H267 HydrophobicContact CG2-CB 4.45Å; D242-H267 PolarHBondContact N-O 2.88Å; H267-L332 HydrophobicContact CB-CD1 3.76Å; H267-L333 CarbonylContact C-O 3.54Å; H267-L333 VanDerWaalsContact CA-O 3.25Å; H267-L333 WeakPolarHBondContact CA-O 3.45Å; H267-S334 PolarHBondContact CE1-OG 2.91Å; H267-S334 PolarHBondContact ND1-OG 3.37Å
268	V	89.1	Confident	77.1	Confident	4 Å²	4	38.2 Å²	38.2	2%	0.024	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	112.9	171.8	-175.2	0	0	0	0	107.7	D242 L244 L255 L270 L333 F335	D242-V268 HydrophobicContact CB-CG1 4.38Å; D242-V268 HydrophobicContact CB-CG2 4.32Å; D242-V268 CarbonylContact O-C 3.52Å; D242-V268 WeakPolarHBondContact O-CA 3.29Å; L244-V268 HydrophobicContact CD1-CG1 3.71Å; L244-V268 HydrophobicContact CG-CG1 4.2Å; L255-V268 HydrophobicContact CD2-CG1 4.43Å; V268-L270 HydrophobicContact CG1-CD2 3.68Å; V268-L333 HydrophobicContact CB-CB 4.16Å; V268-L333 HydrophobicContact CB-CD1 4.45Å; V268-L333 PolarHBondContact N-O 3.16Å; V268-L333 PolarHBondContact O-N 2.81Å; V268-F335 HydrophobicContact CB-CE2 4.39Å; V268-F335 HydrophobicContact CG2-CD2 4.26Å; V268-F335 HydrophobicContact CG2-CE2 3.75Å
269	K	91.4	Very high	78.3	Confident	8 Å²	8	36.3 Å²	36.3	4%	0.035	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	112.6	179.1	-70.2	176.6	-178.6	-179.9	0	108.5	S157 D158 V241 D242 K243 L244 L303 L332	S157-K269 PolarHBondContact OG-NZ 3.29Å; D158-K269 IonicContact OD1-NZ 2.94Å; D158-K269 PolarHBondContact OD1-NZ 3.03Å; D158-K269 IonicContact OD2-NZ 2.81Å; D158-K269 PolarHBondContact OD2-NZ 3.31Å; V241-K269 HydrophobicContact CG1-CD 4.06Å; V241-K269 HydrophobicContact CG1-CG 4.42Å; D242-K269 PolarHBondContact O-N 2.9Å; K243-K269 HydrophobicContact CG-CB 4.19Å; K243-K269 HydrophobicContact CG-CD 4.3Å; L244-K269 PolarHBondContact N-O 2.94Å; K269-L303 HydrophobicContact CB-CD2 4.11Å; K269-L303 WeakPolarHBondContact CE-O 3.45Å; K269-L303 HydrophobicContact CG-CD2 4.38Å; K269-L332 HydrophobicContact CG-CD1 3.67Å
270	L	92.8	Very high	80.1	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	131.1	178.1	-50	-178.5	0	0	0	109.2	L244 L255 V268 I278 L280 V330 M331 L333 F348	L244-L270 HydrophobicContact CB-CD2 4.02Å; L244-L270 HydrophobicContact CD1-CD2 4.09Å; L255-L270 HydrophobicContact CD1-CD1 4.32Å; L255-L270 HydrophobicContact CD1-CD2 4.47Å; L255-L270 HydrophobicContact CD2-CD2 4.22Å; V268-L270 HydrophobicContact CG1-CD2 3.68Å; L270-I278 HydrophobicContact CB-CD1 3.91Å; L270-I278 HydrophobicContact CD1-CG2 4.4Å; L270-I278 WeakPolarHBondContact O-CD1 3.25Å; L270-L280 HydrophobicContact CD1-CD1 4.32Å; L270-V330 WeakPolarHBondContact O-CA 3.4Å; L270-M331 WeakPolarHBondContact CA-O 3.47Å; L270-M331 HydrophobicContact CB-CB 4.2Å; L270-M331 WeakPolarHBondContact CB-O 3.26Å; L270-M331 HydrophobicContact CD1-CB 4.44Å; L270-M331 HydrophobicContact CD1-CG 4.45Å; L270-M331 HydrophobicContact CD1-SD 4.08Å; L270-M331 PolarHBondContact N-O 3.04Å; L270-M331 PolarHBondContact O-N 3.43Å; L270-L333 HydrophobicContact CD1-CD1 4.02Å; L270-L333 HydrophobicContact CD1-CD2 4.25Å; L270-L333 HydrophobicContact CD1-CG 4.01Å; L270-L333 HydrophobicContact CG-CG 4.37Å; L270-F348 HydrophobicContact CB-CD2 4.39Å; L270-F348 HydrophobicContact CB-CE2 4.35Å; L270-F348 HydrophobicContact CD1-CB 4.1Å; L270-F348 HydrophobicContact CD1-CD1 4.3Å; L270-F348 HydrophobicContact CD1-CD2 4.34Å; L270-F348 HydrophobicContact CD1-CG 4Å; L270-F348 HydrophobicContact CD2-CD1 3.88Å; L270-F348 HydrophobicContact CD2-CE1 3.73Å; L270-F348 HydrophobicContact CD2-CE2 4.39Å; L270-F348 HydrophobicContact CD2-CG 4.27Å; L270-F348 HydrophobicContact CD2-CZ 4.01Å
271	T	91.6	Very high	82	Confident	28 Å²	28	29.9 Å²	29.9	17%	0.172	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	147.3	175.5	53.9	0	0	0	0	110.1	L244 Y245 A246 L303 N329 V330	L244-T271 PolarHBondContact O-N 2.81Å; L244-T271 PolarHBondContact O-OG1 3.48Å; Y245-T271 CarbonylContact C-O 3.19Å; Y245-T271 VanDerWaalsContact CA-O 3.29Å; Y245-T271 WeakPolarHBondContact CA-O 3.42Å; Y245-T271 WeakPolarHBondContact CD2-O 3.13Å; Y245-T271 WeakPolarHBondContact CD2-OG1 3.21Å; A246-T271 PolarHBondContact N-O 3.28Å; T271-L303 HydrophobicContact CG2-CD1 4.36Å; T271-L303 HydrophobicContact CG2-CD2 4.05Å; T271-N329 CarbonylContact C-O 3.5Å; T271-N329 WeakPolarHBondContact CA-O 3.41Å; T271-V330 HydrophobicContact CG2-CG1 4.26Å
272	A	90.3	Very high	83.8	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	165.7	177.1	0	0	0	0	0	111.8	A246 I278 N329 A350	A246-A272 WeakPolarHBondContact O-CA 3.29Å; A272-I278 HydrophobicContact CB-CD1 4.37Å; A272-I278 HydrophobicContact CB-CG1 3.78Å; A272-N329 HydrophobicContact CB-CB 4.19Å; A272-N329 PolarHBondContact N-O 2.83Å; A272-N329 PolarHBondContact O-ND2 2.75Å; A272-A350 HydrophobicContact CB-CB 3.96Å
273	V	86.3	Confident	85.9	Confident	39 Å²	39	24.6 Å²	24.6	24%	0.236	16%	0.16	C	C	.	.			trans	-51.8	139.2	172.9	65.6	0	0	0	0	111	A246 G275 S276 A350	A246-V273 PolarHBondContact O-N 2.86Å; A246-V273 VanDerWaalsContact O-N 3.1Å; V273-G275 PolarHBondContact O-N 2.99Å; V273-S276 WeakPolarHBondContact CG1-OG 3.4Å; V273-S276 WeakPolarHBondContact O-CB 3.45Å; V273-S276 PolarHBondContact O-N 2.97Å; V273-A350 HydrophobicContact CG1-CB 4.45Å
274	P	82.6	Confident	87.3	Confident	58 Å²	58	24 Å²	24	38%	0.377	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	139.9	178	-25.4	35.2	0	0	0	111.8	S276	P274-S276 VanDerWaalsContact C-N 3.33Å
275	G	81.1	Confident	88.2	Confident	47 Å²	47	19.7 Å²	19.7	49%	0.485	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	-2	-175.6	0	0	0	0	0	114.5	N163 V273	N163-G275 VanDerWaalsContact OD1-CA 3.25Å; N163-G275 WeakPolarHBondContact OD1-CA 3.47Å; N163-G275 PolarHBondContact OD1-N 2.74Å; V273-G275 PolarHBondContact O-N 2.99Å
276	S	88.4	Confident	88.4	Confident	10 Å²	10	23 Å²	23	7%	0.07	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	163.3	173.2	-61.4	0	0	0	0	111.9	N163 V273 P274 N329 V351	N163-S276 PolarHBondContact ND2-O 3.37Å; V273-S276 WeakPolarHBondContact CG1-OG 3.4Å; V273-S276 WeakPolarHBondContact O-CB 3.45Å; V273-S276 PolarHBondContact O-N 2.97Å; P274-S276 VanDerWaalsContact C-N 3.33Å; S276-N329 WeakPolarHBondContact O-CA 3.36Å; S276-N329 VanDerWaalsContact O-CB 3.24Å; S276-N329 WeakPolarHBondContact O-CB 3.32Å; S276-V351 CarbonylContact C-O 3.48Å; S276-V351 WeakPolarHBondContact CA-O 3.38Å; S276-V351 WeakPolarHBondContact CB-O 3.42Å
277	L	91.8	Very high	88.1	Confident	8 Å²	8	23.6 Å²	23.6	4%	0.042	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	167.9	167.2	-51.8	176.9	0	0	0	108.9	V325 A350 V351 E353 F376	L277-V325 HydrophobicContact CB-CG1 4.19Å; L277-V325 HydrophobicContact CD1-CG1 4.07Å; L277-A350 WeakPolarHBondContact O-CA 3.46Å; L277-V351 HydrophobicContact CB-CG2 3.87Å; L277-V351 PolarHBondContact N-O 3.11Å; L277-V351 PolarHBondContact O-N 2.89Å; L277-E353 HydrophobicContact CD1-CB 4.41Å; L277-E353 HydrophobicContact CD1-CG 4.45Å; L277-F376 HydrophobicContact CD1-CE1 3.98Å; L277-F376 HydrophobicContact CD1-CE2 4.21Å; L277-F376 HydrophobicContact CD1-CZ 3.44Å; L277-F376 VanDerWaalsContact CD1-CZ 3.44Å
278	I	93.2	Very high	87	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	122.9	175.2	-63.6	172.6	0	0	0	108.3	L270 A272 V325 S326 N329 M331 F348	L270-I278 HydrophobicContact CB-CD1 3.91Å; L270-I278 HydrophobicContact CD1-CG2 4.4Å; L270-I278 WeakPolarHBondContact O-CD1 3.25Å; A272-I278 HydrophobicContact CB-CD1 4.37Å; A272-I278 HydrophobicContact CB-CG1 3.78Å; I278-V325 WeakPolarHBondContact O-CA 3.47Å; I278-S326 WeakPolarHBondContact CB-OG 3.46Å; I278-S326 PolarHBondContact N-OG 2.94Å; I278-S326 PolarHBondContact O-N 3.01Å; I278-S326 PolarHBondContact O-OG 3.45Å; I278-N329 WeakPolarHBondContact CD1-O 3.35Å; I278-M331 HydrophobicContact CB-CE 4.11Å; I278-M331 HydrophobicContact CD1-CB 3.94Å; I278-M331 HydrophobicContact CG2-CB 4.38Å; I278-M331 HydrophobicContact CG2-CE 3.85Å; I278-M331 HydrophobicContact CG2-SD 4.12Å; I278-F348 HydrophobicContact CG2-CB 4.19Å; I278-F348 HydrophobicContact CG2-CD2 4.07Å
279	R	94.7	Very high	85.4	Confident	80 Å²	80	31.4 Å²	31.4	30%	0.302	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	116.2	165.2	-178.2	168.7	68.3	-168.7	0.4	108.5	I324 V325 F348 E349 V351	R279-I324 CarbonylContact C-O 3.57Å; R279-I324 WeakPolarHBondContact CA-O 3.39Å; R279-V325 HydrophobicContact CB-CG2 4.23Å; R279-V325 HydrophobicContact CG-CG2 4.13Å; R279-F348 CarbonylContact O-C 3.55Å; R279-F348 WeakPolarHBondContact O-CA 3.37Å; R279-E349 HydrophobicContact CB-CG 4Å; R279-E349 IonicContact CZ-OE1 2.74Å; R279-E349 IonicContact CZ-OE2 3.2Å; R279-E349 PolarHBondContact N-O 3.37Å; R279-E349 IonicContact NE-OE1 2.61Å; R279-E349 PolarHBondContact NE-OE1 2.78Å; R279-E349 IonicContact NH2-OE1 2.94Å; R279-E349 PolarHBondContact NH2-OE1 3.03Å; R279-E349 IonicContact NH2-OE2 3.87Å; R279-E349 PolarHBondContact NH2-OE2 2.92Å; R279-E349 PolarHBondContact O-N 3.2Å; R279-V351 HydrophobicContact CB-CG1 3.65Å; R279-V351 HydrophobicContact CB-CG2 4.16Å
280	L	95.4	Very high	83.7	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	121.8	173.4	175.5	73.1	0	0	0	108.9	L255 L270 V282 V299 S323 I324 M331 L333 F344 F348	L255-L280 HydrophobicContact CD1-CD1 3.51Å; L270-L280 HydrophobicContact CD1-CD1 4.32Å; L280-V282 HydrophobicContact CD2-CG2 4.32Å; L280-V282 HydrophobicContact CG-CG2 4.39Å; L280-V299 HydrophobicContact CD2-CG1 4.17Å; L280-V299 HydrophobicContact CD2-CG2 3.96Å; L280-S323 CarbonylContact O-C 3.59Å; L280-S323 WeakPolarHBondContact O-CA 3.38Å; L280-I324 HydrophobicContact CD2-CD1 4.37Å; L280-I324 PolarHBondContact N-O 2.79Å; L280-I324 PolarHBondContact O-N 3.31Å; L280-M331 HydrophobicContact CB-CE 4.17Å; L280-M331 HydrophobicContact CB-SD 3.76Å; L280-M331 HydrophobicContact CD2-SD 4.03Å; L280-M331 HydrophobicContact CG-SD 4.43Å; L280-L333 HydrophobicContact CD1-CD1 4.17Å; L280-L333 HydrophobicContact CD1-CD2 4.44Å; L280-L333 HydrophobicContact CD2-CD2 3.55Å; L280-F344 HydrophobicContact CD1-CZ 4.48Å; L280-F348 HydrophobicContact CD1-CB 4.19Å
281	T	94.2	Very high	82	Confident	21 Å²	21	35.8 Å²	35.8	13%	0.129	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	119.7	173.7	-56.7	0	0	0	0	109.5	T283 G346 H347	T281-T283 HydrophobicContact CG2-CG2 4.37Å; T281-G346 CarbonylContact O-C 3.46Å; T281-G346 WeakPolarHBondContact O-CA 3.21Å; T281-H347 VanDerWaalsContact CB-CE1 3.47Å; T281-H347 WeakPolarHBondContact CB-CE1 3.45Å; T281-H347 WeakPolarHBondContact CB-NE2 3.15Å; T281-H347 PolarHBondContact N-O 3.38Å; T281-H347 PolarHBondContact O-N 2.84Å; T281-H347 PolarHBondContact OG1-NE2 2.97Å
282	V	92.4	Very high	80.6	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	116.9	173.8	-177.9	0	0	0	0	107.8	L280 F285 L314 V318 S321 F322 F344	L280-V282 HydrophobicContact CD2-CG2 4.32Å; L280-V282 HydrophobicContact CG-CG2 4.39Å; V282-F285 HydrophobicContact CG1-CB 4.35Å; V282-L314 HydrophobicContact CG1-CD1 4.48Å; V282-L314 HydrophobicContact CG2-CD1 4.23Å; V282-V318 HydrophobicContact CG1-CG1 4.36Å; V282-S321 WeakPolarHBondContact O-CA 3.16Å; V282-F322 HydrophobicContact CB-CD1 4.41Å; V282-F322 HydrophobicContact CB-CE1 3.89Å; V282-F322 HydrophobicContact CB-CZ 4.05Å; V282-F322 HydrophobicContact CG1-CE1 4.2Å; V282-F322 HydrophobicContact CG2-CE1 4.41Å; V282-F322 HydrophobicContact CG2-CZ 4.05Å; V282-F322 PolarHBondContact N-O 2.92Å; V282-F322 PolarHBondContact O-N 3.18Å; V282-F322 VanDerWaalsContact O-N 3.16Å; V282-F344 HydrophobicContact CB-CE2 4.14Å; V282-F344 HydrophobicContact CG1-CD2 4.19Å; V282-F344 HydrophobicContact CG1-CE2 3.64Å; V282-F344 HydrophobicContact CG2-CE2 3.73Å; V282-F344 HydrophobicContact CG2-CZ 4.17Å
283	T	89.9	Confident	79.1	Confident	58 Å²	58	36.3 Å²	36.3	36%	0.356	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-38.1	-179	59	0	0	0	0	112	T281 N345	T281-T283 HydrophobicContact CG2-CG2 4.37Å; T283-N345 PolarHBondContact N-O 3.29Å; T283-N345 VanDerWaalsContact OG1-C 3.27Å; T283-N345 PolarHBondContact OG1-O 2.91Å
284	S	86.2	Confident	78	Confident	30 Å²	30	37.2 Å²	37.2	21%	0.21	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	141.4	174.4	52.8	0	0	0	0	110.4	N345	S284-N345 PolarHBondContact N-O 2.76Å; S284-N345 PolarHBondContact O-N 2.94Å; S284-N345 WeakPolarHBondContact OG-CB 2.84Å; S284-N345 PolarHBondContact OG-ND2 3.31Å
285	F	82.9	Confident	77.6	Confident	4 Å²	4	34.5 Å²	34.5	2%	0.018	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	110.3	173.4	-175.6	-119.8	0	0	0	108.4	V282 I287 L297 L314 V318 F344	V282-F285 HydrophobicContact CG1-CB 4.35Å; F285-I287 HydrophobicContact CD1-CB 4.42Å; F285-I287 HydrophobicContact CD1-CG2 4.26Å; F285-I287 HydrophobicContact CE1-CB 3.91Å; F285-I287 HydrophobicContact CE1-CD1 3.97Å; F285-I287 HydrophobicContact CE1-CG2 3.97Å; F285-I287 HydrophobicContact CZ-CB 4.24Å; F285-I287 HydrophobicContact CZ-CD1 4.05Å; F285-L297 HydrophobicContact CE1-CB 4.39Å; F285-L297 HydrophobicContact CE2-CB 3.98Å; F285-L297 HydrophobicContact CZ-CB 3.82Å; F285-L314 HydrophobicContact CD1-CB 4.14Å; F285-L314 HydrophobicContact CE1-CB 4.15Å; F285-V318 HydrophobicContact CB-CB 3.9Å; F285-V318 HydrophobicContact CB-CG2 3.87Å; F285-V318 PolarHBondContact N-O 3.26Å; F285-V318 PolarHBondContact O-N 2.95Å; F285-F344 HydrophobicContact CD2-CB 4.02Å; F285-F344 AromaticContact CD2-CD2 3.98Å; F285-F344 HydrophobicContact CD2-CD2 3.98Å; F285-F344 HydrophobicContact CE2-CB 4.43Å
286	L	76.6	Confident	77.5	Confident	82 Å²	82	32.5 Å²	32.5	43%	0.429	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	116.6	178.3	-57.3	-176.1	0	0	0	108.7	L317 S343	L286-L317 HydrophobicContact CD2-CD1 3.24Å; L286-L317 HydrophobicContact CG-CD1 4.49Å; L286-S343 WeakPolarHBondContact CD1-OG 3.32Å; L286-S343 PolarHBondContact N-O 3.45Å; L286-S343 PolarHBondContact O-N 2.59Å
287	I	73.1	Confident	77.5	Confident	19 Å²	19	32 Å²	32	10%	0.097	18%	0.182	C	C	.	.			trans	-132.9	135.1	178.3	-170.6	166.1	0	0	0	109.7	F285 D295	F285-I287 HydrophobicContact CD1-CB 4.42Å; F285-I287 HydrophobicContact CD1-CG2 4.26Å; F285-I287 HydrophobicContact CE1-CB 3.91Å; F285-I287 HydrophobicContact CE1-CD1 3.97Å; F285-I287 HydrophobicContact CE1-CG2 3.97Å; F285-I287 HydrophobicContact CZ-CB 4.24Å; F285-I287 HydrophobicContact CZ-CD1 4.05Å; I287-D295 VanDerWaalsContact CD1-C 3.46Å; I287-D295 HydrophobicContact CD1-CB 3.59Å; I287-D295 WeakPolarHBondContact CD1-O 3.26Å; I287-D295 HydrophobicContact CG1-CB 4.15Å
288	E	64.1	Low	77.3	Confident	77 Å²	77	32.2 Å²	32.2	36%	0.36	18%	0.183	S	C	.	.			trans	-69	137.2	171.5	-75.1	178.5	-164.6	0	0	109.7	T290	E288-T290 PolarHBondContact O-N 2.53Å
289	P	54.5	Low	77.4	Confident	90 Å²	90	32.2 Å²	32.2	58%	0.584	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	9	-174.6	25.7	-33.3	0	0	0	114.6	G291 Q676	P289-G291 VanDerWaalsContact C-N 3.29Å; P289-G291 PolarHBondContact O-N 3.18Å; P289-Q676 PolarHBondContact O-NE2 2.8Å
290	T	55.5	Low	77.3	Confident	87 Å²	87	29.5 Å²	29.5	53%	0.534	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-7.2	-169.5	55.4	0	0	0	0	114.7	E288	E288-T290 PolarHBondContact O-N 2.53Å
291	G	57.9	Low	77.2	Confident	14 Å²	14	30 Å²	30	14%	0.144	18%	0.175	C	C	.	.			trans	165.7	112.2	160.1	0	0	0	0	0	117.1	P289 V293 N294 D295	P289-G291 VanDerWaalsContact C-N 3.29Å; P289-G291 PolarHBondContact O-N 3.18Å; G291-V293 PolarHBondContact O-N 3.02Å; G291-N294 PolarHBondContact O-N 2.9Å; G291-D295 PolarHBondContact O-N 3.17Å
292	C	62	Low	77.2	Confident	26 Å²	26	29 Å²	29	18%	0.176	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-9.7	172.3	-79.7	0	0	0	0	115.6	D295 R313 C315	C292-D295 CarbonylContact C-O 3.56Å; C292-D295 WeakPolarHBondContact CA-O 3.46Å; C292-R313 PolarHBondContact O-NH2 3.02Å; C292-C315 HydrophobicContact CB-CB 3.47Å; C292-C315 VanDerWaalsContact CB-CB 3.47Å; C292-C315 WeakPolarHBondContact CB-SG 3.24Å; C292-C315 WeakPolarHBondContact SG-CB 3.48Å; C292-C315 PolarHBondContact SG-O 3.49Å; C292-C315 VanDerWaalsContact SG-O 3.39Å; C292-C315 CovalentContact SG-SG 2.04Å; C292-C315 PolarHBondContact SG-SG 3.17Å
293	V	57.6	Low	77.1	Confident	13 Å²	13	29.1 Å²	29.1	8%	0.079	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-38.2	-173.4	-170.4	0	0	0	0	112.9	G291 R336 D653 P654 R655	G291-V293 PolarHBondContact O-N 3.02Å; V293-R336 PolarHBondContact O-NH1 3.05Å; V293-D653 WeakPolarHBondContact CG1-OD1 3.32Å; V293-D653 WeakPolarHBondContact CG2-OD1 3.38Å; V293-P654 VanDerWaalsContact CG2-CD 3.45Å; V293-P654 HydrophobicContact CG2-CG 3.39Å; V293-R655 HydrophobicContact CB-CG 4.4Å; V293-R655 HydrophobicContact CG1-CG 4.24Å; V293-R655 VanDerWaalsContact CG1-NH2 3.28Å; V293-R655 HydrophobicContact CG2-CG 4.21Å
294	N	64.6	Low	77.2	Confident	57 Å²	57	26.4 Å²	26.4	31%	0.305	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-24	177.9	-73.7	-16.7	0	0	0	111.4	G291 R336 T338	G291-N294 PolarHBondContact O-N 2.9Å; N294-R336 CarbonylContact O-C 3.44Å; N294-R336 WeakPolarHBondContact O-CB 3.32Å; N294-R336 WeakPolarHBondContact O-CD 3.22Å; N294-R336 WeakPolarHBondContact O-CG 3.43Å; N294-T338 HydrophobicContact CB-CG2 3.69Å
295	D	72.9	Confident	77.4	Confident	2 Å²	2	25.1 Å²	25.1	1%	0.011	15%	0.145	C	C	.	.	S	Bend	trans	-121	107.7	-176.6	-59.9	-33.4	0	0	0	109	I287 G291 C292 R336 M337 T338 K342	I287-D295 VanDerWaalsContact CD1-C 3.46Å; I287-D295 HydrophobicContact CD1-CB 3.59Å; I287-D295 WeakPolarHBondContact CD1-O 3.26Å; I287-D295 HydrophobicContact CG1-CB 4.15Å; G291-D295 PolarHBondContact O-N 3.17Å; C292-D295 CarbonylContact C-O 3.56Å; C292-D295 WeakPolarHBondContact CA-O 3.46Å; D295-R336 VanDerWaalsContact CA-O 3.28Å; D295-R336 WeakPolarHBondContact CA-O 3.4Å; D295-M337 WeakPolarHBondContact OD1-CA 3.36Å; D295-T338 PolarHBondContact OD1-N 3.05Å; D295-T338 PolarHBondContact OD1-OG1 3.05Å; D295-T338 PolarHBondContact OD2-OG1 2.98Å; D295-K342 IonicContact OD1-NZ 3.26Å; D295-K342 PolarHBondContact OD1-NZ 3.01Å; D295-K342 WeakPolarHBondContact OD2-CE 3.28Å; D295-K342 IonicContact OD2-NZ 2.78Å; D295-K342 PolarHBondContact OD2-NZ 3.43Å
296	A	80.5	Confident	77.7	Confident	5 Å²	5	25 Å²	25	4%	0.041	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	150.7	178.5	0	0	0	0	0	110	R313 L314 C315 R336	A296-R313 HydrophobicContact CB-CG 4.26Å; A296-L314 CarbonylContact C-O 3.13Å; A296-L314 VanDerWaalsContact CA-O 3.24Å; A296-L314 WeakPolarHBondContact CA-O 3.46Å; A296-L314 WeakPolarHBondContact CB-O 3.36Å; A296-C315 HydrophobicContact CB-CB 4.24Å; A296-R336 PolarHBondContact N-O 3.1Å; A296-R336 PolarHBondContact O-N 3.17Å
297	L	86.6	Confident	78	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	114.5	160.6	167.1	56.7	0	0	0	107.6	F285 V299 R313 L314 L333 S334 F335 F344	F285-L297 HydrophobicContact CE1-CB 4.39Å; F285-L297 HydrophobicContact CE2-CB 3.98Å; F285-L297 HydrophobicContact CZ-CB 3.82Å; L297-V299 HydrophobicContact CG-CG2 4.43Å; L297-R313 WeakPolarHBondContact O-CA 3.39Å; L297-L314 HydrophobicContact CB-CB 4.26Å; L297-L314 HydrophobicContact CD2-CD1 3.89Å; L297-L314 HydrophobicContact CG-CD1 4.26Å; L297-L314 PolarHBondContact N-O 3.27Å; L297-L314 PolarHBondContact O-N 3.29Å; L297-L333 HydrophobicContact CD1-CB 4.04Å; L297-S334 WeakPolarHBondContact CA-O 3.3Å; L297-F335 HydrophobicContact CD1-CD1 3.96Å; L297-F335 HydrophobicContact CD1-CE1 3.62Å; L297-F335 HydrophobicContact CD1-CE2 4.23Å; L297-F335 HydrophobicContact CD1-CG 4.42Å; L297-F335 HydrophobicContact CD1-CZ 3.76Å; L297-F335 HydrophobicContact CD2-CE1 4.05Å; L297-F335 HydrophobicContact CD2-CZ 4.48Å; L297-F335 HydrophobicContact CG-CE1 4.28Å; L297-F344 HydrophobicContact CD2-CD2 3.47Å; L297-F344 VanDerWaalsContact CD2-CD2 3.47Å; L297-F344 HydrophobicContact CD2-CE2 3.34Å; L297-F344 HydrophobicContact CD2-CG 4.32Å; L297-F344 HydrophobicContact CD2-CZ 4.14Å
298	T	89	Confident	78.5	Confident	11 Å²	11	27 Å²	27	7%	0.067	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	127.1	173.6	-48	0	0	0	0	109.6	Y300 I310 R313 S334	T298-Y300 HydrophobicContact CG2-CD2 4.18Å; T298-Y300 HydrophobicContact CG2-CE1 4.01Å; T298-Y300 HydrophobicContact CG2-CE2 3.52Å; T298-Y300 VanDerWaalsContact CG2-CZ 3.41Å; T298-I310 HydrophobicContact CG2-CD1 4.49Å; T298-I310 HydrophobicContact CG2-CG1 4.17Å; T298-I310 HydrophobicContact CG2-CG2 4.13Å; T298-R313 HydrophobicContact CG2-CB 4.39Å; T298-S334 PolarHBondContact N-O 2.79Å; T298-S334 PolarHBondContact O-N 2.75Å
299	V	93.8	Very high	79.8	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	125.9	179.3	-173.8	0	0	0	0	108.1	L280 L297 L311 H312 I324 M331 L332 L333	L280-V299 HydrophobicContact CD2-CG1 4.17Å; L280-V299 HydrophobicContact CD2-CG2 3.96Å; L297-V299 HydrophobicContact CG-CG2 4.43Å; V299-L311 HydrophobicContact CB-CB 4.39Å; V299-L311 HydrophobicContact CG1-CB 4.18Å; V299-L311 HydrophobicContact CG1-CD1 4.15Å; V299-L311 PolarHBondContact O-N 3.5Å; V299-H312 PolarHBondContact N-O 3.44Å; V299-H312 PolarHBondContact O-N 2.86Å; V299-I324 HydrophobicContact CG2-CD1 4.06Å; V299-M331 HydrophobicContact CG1-CE 4.37Å; V299-M331 HydrophobicContact CG1-CG 3.74Å; V299-M331 HydrophobicContact CG1-SD 3.57Å; V299-M331 VanDerWaalsContact CG1-SD 3.57Å; V299-L332 CarbonylContact C-O 3.59Å; V299-L332 WeakPolarHBondContact CA-O 3.41Å; V299-L333 HydrophobicContact CB-CD2 4.36Å; V299-L333 HydrophobicContact CG1-CD2 3.93Å; V299-L333 HydrophobicContact CG2-CD2 3.95Å
300	Y	93.8	Very high	81.5	Confident	23 Å²	23	23.8 Å²	23.8	9%	0.09	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	144.8	180	-57.8	-95.1	0	0	0	111.4	T298 A302 P305 M306 R309 I310 M331 L332	T298-Y300 HydrophobicContact CG2-CD2 4.18Å; T298-Y300 HydrophobicContact CG2-CE1 4.01Å; T298-Y300 HydrophobicContact CG2-CE2 3.52Å; T298-Y300 VanDerWaalsContact CG2-CZ 3.41Å; Y300-A302 PolarHBondContact O-N 2.97Å; Y300-P305 HydrophobicContact CE1-CB 4.3Å; Y300-P305 HydrophobicContact CE2-CB 3.98Å; Y300-M306 VanDerWaalsContact CD1-O 3.25Å; Y300-M306 WeakPolarHBondContact CD1-O 2.91Å; Y300-R309 CarbonylContact C-O 3.44Å; Y300-R309 WeakPolarHBondContact CA-O 3.06Å; Y300-I310 HydrophobicContact CD1-CG1 3.67Å; Y300-I310 HydrophobicContact CE1-CD1 4.15Å; Y300-I310 HydrophobicContact CE1-CG1 3.41Å; Y300-I310 VanDerWaalsContact CE1-CG1 3.41Å; Y300-M331 CarbonylContact O-C 3.56Å; Y300-M331 VanDerWaalsContact O-CA 3.29Å; Y300-M331 WeakPolarHBondContact O-CA 3.44Å; Y300-M331 WeakPolarHBondContact O-CG 3.42Å; Y300-L332 HydrophobicContact CD2-CD2 4.16Å; Y300-L332 HydrophobicContact CD2-CG 4.37Å; Y300-L332 PolarHBondContact N-O 2.86Å; Y300-L332 PolarHBondContact O-N 2.82Å
301	D	93.3	Very high	83.3	Confident	10 Å²	10	19.7 Å²	19.7	5%	0.053	11%	0.105	C	C	.	.	S	Bend	trans	-85.3	36.2	173.4	-156.2	19.4	0	0	0	112.3	R309 L311 S326 T327	D301-R309 HydrophobicContact CB-CB 4.35Å; D301-R309 PolarHBondContact N-O 3.47Å; D301-L311 HydrophobicContact CB-CD1 4.01Å; D301-L311 HydrophobicContact CB-CD2 3.75Å; D301-L311 HydrophobicContact CB-CG 3.74Å; D301-S326 VanDerWaalsContact OD1-CB 3.32Å; D301-S326 WeakPolarHBondContact OD1-CB 3.05Å; D301-T327 VanDerWaalsContact CG-OG1 3.31Å; D301-T327 PolarHBondContact OD1-N 3.34Å; D301-T327 PolarHBondContact OD1-OG1 2.78Å; D301-T327 VanDerWaalsContact OD2-CB 3.26Å; D301-T327 WeakPolarHBondContact OD2-CB 3.25Å; D301-T327 WeakPolarHBondContact OD2-CG2 3.48Å; D301-T327 PolarHBondContact OD2-N 3.07Å; D301-T327 PolarHBondContact OD2-OG1 3.28Å
302	A	92.9	Very high	84.8	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	-156.3	169	-178.5	0	0	0	0	0	109.1	Y300 L304 M306 R309 L332	Y300-A302 PolarHBondContact O-N 2.97Å; A302-L304 VanDerWaalsContact C-N 3.31Å; A302-M306 HydrophobicContact CB-SD 4.39Å; A302-R309 HydrophobicContact CB-CB 4.05Å; A302-R309 HydrophobicContact CB-CG 4.09Å; A302-L332 WeakPolarHBondContact O-CB 3.48Å; A302-L332 PolarHBondContact O-N 2.82Å; A302-L332 VanDerWaalsContact O-N 3.11Å
303	L	92.3	Very high	86	Confident	4 Å²	4	25.9 Å²	25.9	2%	0.021	12%	0.123	C	C	.	.	S	Bend	trans	-87.4	1.5	175.3	-65.2	179.3	0	0	0	114	D158 H170 K269 T271 V330	D158-L303 HydrophobicContact CB-CB 4.41Å; D158-L303 HydrophobicContact CB-CD1 3.8Å; H170-L303 PolarHBondContact NE2-N 3.3Å; K269-L303 HydrophobicContact CB-CD2 4.11Å; K269-L303 WeakPolarHBondContact CE-O 3.45Å; K269-L303 HydrophobicContact CG-CD2 4.38Å; T271-L303 HydrophobicContact CG2-CD1 4.36Å; T271-L303 HydrophobicContact CG2-CD2 4.05Å; L303-V330 HydrophobicContact CD1-CB 4.48Å; L303-V330 HydrophobicContact CD1-CG1 4.07Å; L303-V330 HydrophobicContact CD2-CB 3.83Å; L303-V330 HydrophobicContact CD2-CG1 4.18Å; L303-V330 HydrophobicContact CG-CB 3.88Å; L303-V330 HydrophobicContact CG-CG1 4.03Å; L303-V330 HydrophobicContact CG-CG2 4.41Å
304	L	92	Very high	87.3	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-127.7	153.2	177.2	-68.3	-176.8	0	0	0	110.7	A105 H170 W172 A302 M306	A105-L304 HydrophobicContact CB-CB 4.28Å; A105-L304 HydrophobicContact CB-CD1 4.21Å; H170-L304 HydrophobicContact CB-CD1 3.78Å; H170-L304 HydrophobicContact CB-CG 3.93Å; W172-L304 HydrophobicContact CD2-CD1 4.47Å; W172-L304 HydrophobicContact CH2-CD2 4.36Å; W172-L304 HydrophobicContact CZ2-CD2 3.49Å; W172-L304 VanDerWaalsContact CZ2-CD2 3.49Å; W172-L304 HydrophobicContact CZ2-CG 4.46Å; A302-L304 VanDerWaalsContact C-N 3.31Å; L304-M306 HydrophobicContact CB-CG 3.97Å; L304-M306 HydrophobicContact CB-SD 4.37Å; L304-M306 PolarHBondContact O-N 3.38Å
305	P	89.9	Confident	87.9	Confident	4 Å²	4	24.8 Å²	24.8	3%	0.026	12%	0.119	C	C	.	.			trans	-74.3	76.1	179.8	30.5	-34	0	0	0	110.8	W172 V226 D230 Y300 L332	W172-P305 HydrophobicContact CH2-CG 3.76Å; W172-P305 HydrophobicContact CZ2-CG 4.46Å; V226-P305 WeakPolarHBondContact CG1-O 3.07Å; D230-P305 HydrophobicContact CB-CG 3.94Å; Y300-P305 HydrophobicContact CE1-CB 4.3Å; Y300-P305 HydrophobicContact CE2-CB 3.98Å; P305-L332 HydrophobicContact CB-CD2 4.25Å
306	M	88.6	Confident	87.9	Confident	0 Å²	0	29 Å²	29	0%	0	14%	0.138	C	C	.	.			trans	-101	119.6	-177	-61.7	-176.6	71.1	0	0	110.1	A105 M107 L222 Y300 A302 L304 G308 R309	A105-M306 HydrophobicContact CB-CG 3.8Å; M107-M306 HydrophobicContact CB-CE 4.2Å; M107-M306 HydrophobicContact CB-SD 3.97Å; M107-M306 HydrophobicContact CG-CE 3.82Å; M107-M306 HydrophobicContact CG-SD 3.97Å; M107-M306 HydrophobicContact SD-CE 4.18Å; M107-M306 HydrophobicContact SD-SD 3.92Å; L222-M306 HydrophobicContact CB-CE 4.01Å; L222-M306 HydrophobicContact CD2-CE 3.73Å; L222-M306 HydrophobicContact CG-CE 3.68Å; L222-M306 VanDerWaalsContact O-CE 3.29Å; L222-M306 WeakPolarHBondContact O-CE 3.28Å; Y300-M306 VanDerWaalsContact CD1-O 3.25Å; Y300-M306 WeakPolarHBondContact CD1-O 2.91Å; A302-M306 HydrophobicContact CB-SD 4.39Å; L304-M306 HydrophobicContact CB-CG 3.97Å; L304-M306 HydrophobicContact CB-SD 4.37Å; L304-M306 PolarHBondContact O-N 3.38Å; M306-G308 VanDerWaalsContact C-N 3.3Å; M306-G308 PolarHBondContact O-N 2.89Å; M306-R309 HydrophobicContact CB-CB 4.24Å; M306-R309 HydrophobicContact CB-CG 4.23Å; M306-R309 PolarHBondContact O-N 3.29Å
307	R	82.8	Confident	87.7	Confident	107 Å²	107	34 Å²	34	40%	0.404	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-57.8	-39.7	-176.2	-66.8	-176.5	-172.5	150.1	5.6	113.1	E187 N224 R309 I310	E187-R307 IonicContact OE1-NH1 2.73Å; N224-R307 PolarHBondContact OD1-N 2.8Å; R307-R309 PolarHBondContact O-N 3.29Å; R307-I310 HydrophobicContact CB-CD1 4.49Å; R307-I310 WeakPolarHBondContact O-CG1 3.29Å; R307-I310 PolarHBondContact O-N 2.96Å
308	G	84.4	Confident	87.4	Confident	38 Å²	38	34.8 Å²	34.8	39%	0.392	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-70.7	9.1	176.2	0	0	0	0	0	115.3	N224 M306	N224-G308 PolarHBondContact OD1-N 2.94Å; M306-G308 VanDerWaalsContact C-N 3.3Å; M306-G308 PolarHBondContact O-N 2.89Å
309	R	90.8	Very high	86.7	Confident	75 Å²	75	39.7 Å²	39.7	28%	0.283	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-132.7	20	178.9	-61.8	-68	179.3	-110.1	3.3	112.2	M107 L222 Y300 D301 A302 M306 R307 L311	M107-R309 HydrophobicContact SD-CG 4.04Å; M107-R309 PolarHBondContact SD-NE 3.26Å; M107-R309 VanDerWaalsContact SD-NE 3.37Å; L222-R309 HydrophobicContact CD2-CG 3.67Å; Y300-R309 CarbonylContact C-O 3.44Å; Y300-R309 WeakPolarHBondContact CA-O 3.06Å; D301-R309 HydrophobicContact CB-CB 4.35Å; D301-R309 PolarHBondContact N-O 3.47Å; A302-R309 HydrophobicContact CB-CB 4.05Å; A302-R309 HydrophobicContact CB-CG 4.09Å; M306-R309 HydrophobicContact CB-CB 4.24Å; M306-R309 HydrophobicContact CB-CG 4.23Å; M306-R309 PolarHBondContact O-N 3.29Å; R307-R309 PolarHBondContact O-N 3.29Å; R309-L311 PolarHBondContact O-N 3.49Å
310	I	91	Very high	86.3	Confident	24 Å²	24	43.7 Å²	43.7	12%	0.123	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	125.7	175.3	-66.5	166.8	0	0	0	109.1	T298 Y300 R307 N457	T298-I310 HydrophobicContact CG2-CD1 4.49Å; T298-I310 HydrophobicContact CG2-CG1 4.17Å; T298-I310 HydrophobicContact CG2-CG2 4.13Å; Y300-I310 HydrophobicContact CD1-CG1 3.67Å; Y300-I310 HydrophobicContact CE1-CD1 4.15Å; Y300-I310 HydrophobicContact CE1-CG1 3.41Å; Y300-I310 VanDerWaalsContact CE1-CG1 3.41Å; R307-I310 HydrophobicContact CB-CD1 4.49Å; R307-I310 WeakPolarHBondContact O-CG1 3.29Å; R307-I310 PolarHBondContact O-N 2.96Å; I310-N457 PolarHBondContact O-OD1 3.21Å
311	L	92.3	Very high	86.1	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-52.7	169.4	-68.6	177.4	0	0	0	109.9	V299 D301 R309 I324 M331 P383 S458	V299-L311 HydrophobicContact CB-CB 4.39Å; V299-L311 HydrophobicContact CG1-CB 4.18Å; V299-L311 HydrophobicContact CG1-CD1 4.15Å; V299-L311 PolarHBondContact O-N 3.5Å; D301-L311 HydrophobicContact CB-CD1 4.01Å; D301-L311 HydrophobicContact CB-CD2 3.75Å; D301-L311 HydrophobicContact CB-CG 3.74Å; R309-L311 PolarHBondContact O-N 3.49Å; L311-I324 HydrophobicContact CB-CG2 4.05Å; L311-I324 HydrophobicContact CD1-CG2 4.07Å; L311-M331 HydrophobicContact CD1-CE 3.93Å; L311-P383 HydrophobicContact CD2-CG 3.69Å; L311-S458 VanDerWaalsContact O-CB 3.3Å; L311-S458 WeakPolarHBondContact O-CB 3.44Å; L311-S458 PolarHBondContact O-N 2.76Å; L311-S458 PolarHBondContact O-OG 3.33Å
312	H	90.4	Very high	86	Confident	49 Å²	49	48.2 Å²	48.2	23%	0.227	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	150.4	-177.1	-161.2	64.1	0	0	0	111.3	V299 L314 I324	V299-H312 PolarHBondContact N-O 3.44Å; V299-H312 PolarHBondContact O-N 2.86Å; H312-L314 WeakPolarHBondContact NE2-CD2 3.43Å; H312-I324 HydrophobicContact CB-CD1 3.74Å; H312-I324 HydrophobicContact CB-CG1 4.36Å
313	R	87.1	Confident	86.1	Confident	122 Å²	122	48.8 Å²	48.8	46%	0.46	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	119.8	176.9	-178.3	175.4	176.7	174.3	-1.3	109.7	C292 A296 L297 T298	C292-R313 PolarHBondContact O-NH2 3.02Å; A296-R313 HydrophobicContact CB-CG 4.26Å; L297-R313 WeakPolarHBondContact O-CA 3.39Å; T298-R313 HydrophobicContact CG2-CB 4.39Å
314	L	83.1	Confident	86.2	Confident	13 Å²	13	48.6 Å²	48.6	7%	0.068	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	126.3	-179.4	-63.4	161.5	0	0	0	109.8	V282 F285 A296 L297 H312 V318 F322	V282-L314 HydrophobicContact CG1-CD1 4.48Å; V282-L314 HydrophobicContact CG2-CD1 4.23Å; F285-L314 HydrophobicContact CD1-CB 4.14Å; F285-L314 HydrophobicContact CE1-CB 4.15Å; A296-L314 CarbonylContact C-O 3.13Å; A296-L314 VanDerWaalsContact CA-O 3.24Å; A296-L314 WeakPolarHBondContact CA-O 3.46Å; A296-L314 WeakPolarHBondContact CB-O 3.36Å; L297-L314 HydrophobicContact CB-CB 4.26Å; L297-L314 HydrophobicContact CD2-CD1 3.89Å; L297-L314 HydrophobicContact CG-CD1 4.26Å; L297-L314 PolarHBondContact N-O 3.27Å; L297-L314 PolarHBondContact O-N 3.29Å; H312-L314 WeakPolarHBondContact NE2-CD2 3.43Å; L314-V318 HydrophobicContact CD2-CG2 4.02Å; L314-F322 HydrophobicContact CD1-CE1 4.45Å; L314-F322 HydrophobicContact CD1-CZ 3.78Å; L314-F322 HydrophobicContact CD2-CE1 4.02Å; L314-F322 HydrophobicContact CD2-CZ 3.55Å; L314-F322 HydrophobicContact CG-CZ 4.17Å
315	C	78.2	Confident	86.3	Confident	33 Å²	33	48.6 Å²	48.6	22%	0.223	27%	0.265	C	S	.	.			trans	-141.9	10.6	175.3	78	0	0	0	0	113.6	C292 A296	C292-C315 HydrophobicContact CB-CB 3.47Å; C292-C315 VanDerWaalsContact CB-CB 3.47Å; C292-C315 WeakPolarHBondContact CB-SG 3.24Å; C292-C315 WeakPolarHBondContact SG-CB 3.48Å; C292-C315 PolarHBondContact SG-O 3.49Å; C292-C315 VanDerWaalsContact SG-O 3.39Å; C292-C315 CovalentContact SG-SG 2.04Å; C292-C315 PolarHBondContact SG-SG 3.17Å; A296-C315 HydrophobicContact CB-CB 4.24Å
316	E	73.3	Confident	86.5	Confident	91 Å²	91	48.4 Å²	48.4	43%	0.425	26%	0.263	S	S	.	.	S	Bend	trans	-120.9	165.9	176.7	-61	-166.8	148.2	0	0	110.4	V318 R677	E316-V318 PolarHBondContact O-N 3.14Å; E316-R677 IonicContact OE1-NH1 3.33Å
317	L	76.8	Confident	86.6	Confident	110 Å²	110	50.5 Å²	50.5	58%	0.576	28%	0.276	S	S	*	.			trans	-60.6	124.9	175.4	-176.3	76.1	0	0	0	109.8	L286	L286-L317 HydrophobicContact CD2-CD1 3.24Å; L286-L317 HydrophobicContact CG-CD1 4.49Å
318	V	79.6	Confident	86.9	Confident	17 Å²	17	46 Å²	46	10%	0.103	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-102.3	107.8	171.6	179.7	0	0	0	0	108.4	V282 F285 L314 E316 S320 F322	V282-V318 HydrophobicContact CG1-CG1 4.36Å; F285-V318 HydrophobicContact CB-CB 3.9Å; F285-V318 HydrophobicContact CB-CG2 3.87Å; F285-V318 PolarHBondContact N-O 3.26Å; F285-V318 PolarHBondContact O-N 2.95Å; L314-V318 HydrophobicContact CD2-CG2 4.02Å; E316-V318 PolarHBondContact O-N 3.14Å; V318-S320 WeakPolarHBondContact CG1-O 3.44Å; V318-F322 HydrophobicContact CG1-CD1 3.92Å; V318-F322 HydrophobicContact CG1-CE1 3.71Å; V318-F322 HydrophobicContact CG2-CE1 4.03Å
319	S	74.2	Confident	87.1	Confident	113 Å²	113	44.4 Å²	44.4	79%	0.79	24%	0.244	S	C	*	.			trans	-97.6	-25.9	176.5	56.4	0	0	0	0	113.3
320	S	84.4	Confident	87.2	Confident	84 Å²	84	40.9 Å²	40.9	59%	0.587	23%	0.23	S	C	*	.	S	Bend	trans	-106.8	135.3	175.8	57.6	0	0	0	0	111.2	V318	V318-S320 WeakPolarHBondContact CG1-O 3.44Å
321	S	89.8	Confident	87.3	Confident	84 Å²	84	39.8 Å²	39.8	59%	0.587	22%	0.224	S	C	*	.			trans	-70.5	140.4	178	62.3	0	0	0	0	112	V282	V282-S321 WeakPolarHBondContact O-CA 3.16Å
322	F	91.5	Very high	87.4	Confident	45 Å²	45	39.8 Å²	39.8	20%	0.197	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	163.4	173.1	71.6	-82.4	0	0	0	110.1	V282 L314 V318 I324 L380	V282-F322 HydrophobicContact CB-CD1 4.41Å; V282-F322 HydrophobicContact CB-CE1 3.89Å; V282-F322 HydrophobicContact CB-CZ 4.05Å; V282-F322 HydrophobicContact CG1-CE1 4.2Å; V282-F322 HydrophobicContact CG2-CE1 4.41Å; V282-F322 HydrophobicContact CG2-CZ 4.05Å; V282-F322 PolarHBondContact N-O 2.92Å; V282-F322 PolarHBondContact O-N 3.18Å; V282-F322 VanDerWaalsContact O-N 3.16Å; L314-F322 HydrophobicContact CD1-CE1 4.45Å; L314-F322 HydrophobicContact CD1-CZ 3.78Å; L314-F322 HydrophobicContact CD2-CE1 4.02Å; L314-F322 HydrophobicContact CD2-CZ 3.55Å; L314-F322 HydrophobicContact CG-CZ 4.17Å; V318-F322 HydrophobicContact CG1-CD1 3.92Å; V318-F322 HydrophobicContact CG1-CE1 3.71Å; V318-F322 HydrophobicContact CG2-CE1 4.03Å; F322-I324 HydrophobicContact CD2-CG1 4.29Å; F322-I324 HydrophobicContact CE2-CD1 3.75Å; F322-I324 HydrophobicContact CE2-CG1 3.81Å; F322-I324 HydrophobicContact CZ-CD1 4.46Å; F322-L380 HydrophobicContact CD2-CD1 3.96Å; F322-L380 HydrophobicContact CD2-CG 4.35Å; F322-L380 HydrophobicContact CE2-CD1 4Å
323	S	94.8	Very high	87.5	Confident	12 Å²	12	37.5 Å²	37.5	8%	0.084	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	147.8	-178.2	47.6	0	0	0	0	112.7	L280 S379 L380	L280-S323 CarbonylContact O-C 3.59Å; L280-S323 WeakPolarHBondContact O-CA 3.38Å; S323-S379 CarbonylContact O-C 3.6Å; S323-S379 WeakPolarHBondContact O-CA 3.44Å; S323-S379 VanDerWaalsContact OG-CA 3.23Å; S323-S379 WeakPolarHBondContact OG-CA 3.24Å; S323-S379 WeakPolarHBondContact OG-CB 3.4Å; S323-S379 PolarHBondContact OG-OG 2.86Å; S323-L380 PolarHBondContact O-N 2.85Å
324	I	95.4	Very high	87.6	Confident	0 Å²	0	32 Å²	32	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	136.7	176	-61.6	155	0	0	0	107.8	R279 L280 V299 L311 H312 F322 L380	R279-I324 CarbonylContact C-O 3.57Å; R279-I324 WeakPolarHBondContact CA-O 3.39Å; L280-I324 HydrophobicContact CD2-CD1 4.37Å; L280-I324 PolarHBondContact N-O 2.79Å; L280-I324 PolarHBondContact O-N 3.31Å; V299-I324 HydrophobicContact CG2-CD1 4.06Å; L311-I324 HydrophobicContact CB-CG2 4.05Å; L311-I324 HydrophobicContact CD1-CG2 4.07Å; H312-I324 HydrophobicContact CB-CD1 3.74Å; H312-I324 HydrophobicContact CB-CG1 4.36Å; F322-I324 HydrophobicContact CD2-CG1 4.29Å; F322-I324 HydrophobicContact CE2-CD1 3.75Å; F322-I324 HydrophobicContact CE2-CG1 3.81Å; F322-I324 HydrophobicContact CZ-CD1 4.46Å; I324-L380 HydrophobicContact CG1-CD1 3.88Å
325	V	94.1	Very high	87.5	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	137.6	174.8	-178	0	0	0	0	109.8	L277 I278 R279 F376 P382	L277-V325 HydrophobicContact CB-CG1 4.19Å; L277-V325 HydrophobicContact CD1-CG1 4.07Å; I278-V325 WeakPolarHBondContact O-CA 3.47Å; R279-V325 HydrophobicContact CB-CG2 4.23Å; R279-V325 HydrophobicContact CG-CG2 4.13Å; V325-F376 HydrophobicContact CB-CD2 4.47Å; V325-F376 HydrophobicContact CB-CG 4.44Å; V325-F376 HydrophobicContact CG1-CD1 4.35Å; V325-F376 HydrophobicContact CG1-CD2 4.18Å; V325-F376 HydrophobicContact CG1-CE1 4.41Å; V325-F376 HydrophobicContact CG1-CE2 4.26Å; V325-F376 HydrophobicContact CG1-CG 4.22Å; V325-F376 HydrophobicContact CG1-CZ 4.38Å; V325-F376 HydrophobicContact CG2-CB 3.87Å; V325-F376 HydrophobicContact CG2-CD1 4.43Å; V325-F376 HydrophobicContact CG2-CG 4.05Å; V325-P382 WeakPolarHBondContact O-CB 3.29Å
326	S	93.6	Very high	87.4	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.191	C	C	.	.			trans	-81.1	164.4	173	54.8	0	0	0	0	112.3	I278 D301 S328	I278-S326 WeakPolarHBondContact CB-OG 3.46Å; I278-S326 PolarHBondContact N-OG 2.94Å; I278-S326 PolarHBondContact O-N 3.01Å; I278-S326 PolarHBondContact O-OG 3.45Å; D301-S326 VanDerWaalsContact OD1-CB 3.32Å; D301-S326 WeakPolarHBondContact OD1-CB 3.05Å; S326-S328 VanDerWaalsContact C-N 3.32Å; S326-S328 WeakPolarHBondContact CB-O 3.37Å; S326-S328 PolarHBondContact OG-O 2.91Å
327	T	90.4	Very high	87.3	Confident	44 Å²	44	29.3 Å²	29.3	27%	0.27	18%	0.176	S	C	.	.	S	Bend	trans	-85.6	-9.6	172.3	69	0	0	0	0	112.9	D301 P382 P383 Q384	D301-T327 VanDerWaalsContact CG-OG1 3.31Å; D301-T327 PolarHBondContact OD1-N 3.34Å; D301-T327 PolarHBondContact OD1-OG1 2.78Å; D301-T327 VanDerWaalsContact OD2-CB 3.26Å; D301-T327 WeakPolarHBondContact OD2-CB 3.25Å; D301-T327 WeakPolarHBondContact OD2-CG2 3.48Å; D301-T327 PolarHBondContact OD2-N 3.07Å; D301-T327 PolarHBondContact OD2-OG1 3.28Å; T327-P382 HydrophobicContact CG2-CB 4.04Å; T327-P383 HydrophobicContact CG2-CB 4.18Å; T327-P383 HydrophobicContact CG2-CG 4.35Å; T327-Q384 HydrophobicContact CG2-CB 3.96Å; T327-Q384 HydrophobicContact CG2-CG 4.4Å
328	S	89.2	Confident	86.5	Confident	11 Å²	11	27.6 Å²	27.6	8%	0.077	17%	0.17	C	C	.	.	S	Bend	trans	-143.9	-177.9	-176.7	69.8	0	0	0	0	111.6	S326 V330	S326-S328 VanDerWaalsContact C-N 3.32Å; S326-S328 WeakPolarHBondContact CB-O 3.37Å; S326-S328 PolarHBondContact OG-O 2.91Å; S328-V330 PolarHBondContact O-N 3.09Å; S328-V330 VanDerWaalsContact OG-CG2 3.29Å; S328-V330 WeakPolarHBondContact OG-CG2 3.29Å
329	N	89.4	Confident	85.5	Confident	6 Å²	6	30.5 Å²	30.5	3%	0.032	19%	0.191	C	C	.	.	S	Bend	trans	-81.4	19.5	178.2	71.4	-43.6	0	0	0	113.6	N161 T271 A272 S276 I278	N161-N329 PolarHBondContact O-OD1 2.77Å; T271-N329 CarbonylContact C-O 3.5Å; T271-N329 WeakPolarHBondContact CA-O 3.41Å; A272-N329 HydrophobicContact CB-CB 4.19Å; A272-N329 PolarHBondContact N-O 2.83Å; A272-N329 PolarHBondContact O-ND2 2.75Å; S276-N329 WeakPolarHBondContact O-CA 3.36Å; S276-N329 VanDerWaalsContact O-CB 3.24Å; S276-N329 WeakPolarHBondContact O-CB 3.32Å; I278-N329 WeakPolarHBondContact CD1-O 3.35Å
330	V	91.9	Very high	84.9	Confident	1 Å²	1	26.8 Å²	26.8	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	145.7	177.3	-58.9	0	0	0	0	111.7	L270 T271 L303 S328	L270-V330 WeakPolarHBondContact O-CA 3.4Å; T271-V330 HydrophobicContact CG2-CG1 4.26Å; L303-V330 HydrophobicContact CD1-CB 4.48Å; L303-V330 HydrophobicContact CD1-CG1 4.07Å; L303-V330 HydrophobicContact CD2-CB 3.83Å; L303-V330 HydrophobicContact CD2-CG1 4.18Å; L303-V330 HydrophobicContact CG-CB 3.88Å; L303-V330 HydrophobicContact CG-CG1 4.03Å; L303-V330 HydrophobicContact CG-CG2 4.41Å; S328-V330 PolarHBondContact O-N 3.09Å; S328-V330 VanDerWaalsContact OG-CG2 3.29Å; S328-V330 WeakPolarHBondContact OG-CG2 3.29Å
331	M	94.5	Very high	83.9	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	142.5	175.3	-176.7	-175	-69.3	0	0	109.3	L270 I278 L280 V299 Y300 L311 L333	L270-M331 WeakPolarHBondContact CA-O 3.47Å; L270-M331 HydrophobicContact CB-CB 4.2Å; L270-M331 WeakPolarHBondContact CB-O 3.26Å; L270-M331 HydrophobicContact CD1-CB 4.44Å; L270-M331 HydrophobicContact CD1-CG 4.45Å; L270-M331 HydrophobicContact CD1-SD 4.08Å; L270-M331 PolarHBondContact N-O 3.04Å; L270-M331 PolarHBondContact O-N 3.43Å; I278-M331 HydrophobicContact CB-CE 4.11Å; I278-M331 HydrophobicContact CD1-CB 3.94Å; I278-M331 HydrophobicContact CG2-CB 4.38Å; I278-M331 HydrophobicContact CG2-CE 3.85Å; I278-M331 HydrophobicContact CG2-SD 4.12Å; L280-M331 HydrophobicContact CB-CE 4.17Å; L280-M331 HydrophobicContact CB-SD 3.76Å; L280-M331 HydrophobicContact CD2-SD 4.03Å; L280-M331 HydrophobicContact CG-SD 4.43Å; V299-M331 HydrophobicContact CG1-CE 4.37Å; V299-M331 HydrophobicContact CG1-CG 3.74Å; V299-M331 HydrophobicContact CG1-SD 3.57Å; V299-M331 VanDerWaalsContact CG1-SD 3.57Å; Y300-M331 CarbonylContact O-C 3.56Å; Y300-M331 VanDerWaalsContact O-CA 3.29Å; Y300-M331 WeakPolarHBondContact O-CA 3.44Å; Y300-M331 WeakPolarHBondContact O-CG 3.42Å; L311-M331 HydrophobicContact CD1-CE 3.93Å; M331-L333 HydrophobicContact CG-CD2 4.4Å; M331-L333 HydrophobicContact SD-CD2 4.17Å
332	L	94	Very high	83	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	128.8	173.9	173.3	71.4	0	0	0	110.2	H267 K269 V299 Y300 A302 P305	H267-L332 HydrophobicContact CB-CD1 3.76Å; K269-L332 HydrophobicContact CG-CD1 3.67Å; V299-L332 CarbonylContact C-O 3.59Å; V299-L332 WeakPolarHBondContact CA-O 3.41Å; Y300-L332 HydrophobicContact CD2-CD2 4.16Å; Y300-L332 HydrophobicContact CD2-CG 4.37Å; Y300-L332 PolarHBondContact N-O 2.86Å; Y300-L332 PolarHBondContact O-N 2.82Å; A302-L332 WeakPolarHBondContact O-CB 3.48Å; A302-L332 PolarHBondContact O-N 2.82Å; A302-L332 VanDerWaalsContact O-N 3.11Å; P305-L332 HydrophobicContact CB-CD2 4.25Å
333	L	92.3	Very high	82.3	Confident	1 Å²	1	22.2 Å²	22.2	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	125.5	168.2	-48.6	-175.9	0	0	0	108.8	L255 H267 V268 L270 L280 L297 V299 M331 F335	L255-L333 HydrophobicContact CD1-CD1 3.81Å; H267-L333 CarbonylContact C-O 3.54Å; H267-L333 VanDerWaalsContact CA-O 3.25Å; H267-L333 WeakPolarHBondContact CA-O 3.45Å; V268-L333 HydrophobicContact CB-CB 4.16Å; V268-L333 HydrophobicContact CB-CD1 4.45Å; V268-L333 PolarHBondContact N-O 3.16Å; V268-L333 PolarHBondContact O-N 2.81Å; L270-L333 HydrophobicContact CD1-CD1 4.02Å; L270-L333 HydrophobicContact CD1-CD2 4.25Å; L270-L333 HydrophobicContact CD1-CG 4.01Å; L270-L333 HydrophobicContact CG-CG 4.37Å; L280-L333 HydrophobicContact CD1-CD1 4.17Å; L280-L333 HydrophobicContact CD1-CD2 4.44Å; L280-L333 HydrophobicContact CD2-CD2 3.55Å; L297-L333 HydrophobicContact CD1-CB 4.04Å; V299-L333 HydrophobicContact CB-CD2 4.36Å; V299-L333 HydrophobicContact CG1-CD2 3.93Å; V299-L333 HydrophobicContact CG2-CD2 3.95Å; M331-L333 HydrophobicContact CG-CD2 4.4Å; M331-L333 HydrophobicContact SD-CD2 4.17Å; L333-F335 HydrophobicContact CB-CD2 4.41Å; L333-F335 HydrophobicContact CB-CE2 3.65Å; L333-F335 HydrophobicContact CB-CZ 4.14Å; L333-F335 HydrophobicContact CD1-CE2 4.29Å; L333-F335 HydrophobicContact CD1-CZ 4.2Å
334	S	88.3	Confident	81.8	Confident	7 Å²	7	21.7 Å²	21.7	5%	0.049	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	113.8	175.1	179.6	0	0	0	0	109.7	H267 L297 T298	H267-S334 PolarHBondContact CE1-OG 2.91Å; H267-S334 PolarHBondContact ND1-OG 3.37Å; L297-S334 WeakPolarHBondContact CA-O 3.3Å; T298-S334 PolarHBondContact N-O 2.79Å; T298-S334 PolarHBondContact O-N 2.75Å
335	F	81.6	Confident	81.5	Confident	4 Å²	4	23.4 Å²	23.4	2%	0.018	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	112.4	176.4	-63.3	-86	0	0	0	109.5	V257 N265 C266 V268 L297 L333 M337 F344	V257-F335 HydrophobicContact CB-CE1 4.39Å; V257-F335 HydrophobicContact CB-CZ 4.45Å; V257-F335 HydrophobicContact CG2-CE1 4.31Å; V257-F335 HydrophobicContact CG2-CE2 4.13Å; V257-F335 HydrophobicContact CG2-CZ 3.88Å; N265-F335 CarbonylContact C-O 3.54Å; N265-F335 VanDerWaalsContact CA-O 3.3Å; N265-F335 WeakPolarHBondContact CA-O 3.29Å; C266-F335 PolarHBondContact N-O 2.8Å; C266-F335 PolarHBondContact O-N 2.99Å; V268-F335 HydrophobicContact CB-CE2 4.39Å; V268-F335 HydrophobicContact CG2-CD2 4.26Å; V268-F335 HydrophobicContact CG2-CE2 3.75Å; L297-F335 HydrophobicContact CD1-CD1 3.96Å; L297-F335 HydrophobicContact CD1-CE1 3.62Å; L297-F335 HydrophobicContact CD1-CE2 4.23Å; L297-F335 HydrophobicContact CD1-CG 4.42Å; L297-F335 HydrophobicContact CD1-CZ 3.76Å; L297-F335 HydrophobicContact CD2-CE1 4.05Å; L297-F335 HydrophobicContact CD2-CZ 4.48Å; L297-F335 HydrophobicContact CG-CE1 4.28Å; L333-F335 HydrophobicContact CB-CD2 4.41Å; L333-F335 HydrophobicContact CB-CE2 3.65Å; L333-F335 HydrophobicContact CB-CZ 4.14Å; L333-F335 HydrophobicContact CD1-CE2 4.29Å; L333-F335 HydrophobicContact CD1-CZ 4.2Å; F335-M337 HydrophobicContact CB-CE 4.02Å; F335-M337 HydrophobicContact CD1-CE 3.72Å; F335-M337 HydrophobicContact CG-CE 4.22Å; F335-F344 HydrophobicContact CE1-CB 3.85Å; F335-F344 HydrophobicContact CE1-CD1 4Å; F335-F344 HydrophobicContact CE1-CD2 4.36Å; F335-F344 AromaticContact CE1-CG 3.81Å; F335-F344 HydrophobicContact CE1-CG 3.81Å; F335-F344 AromaticContact CZ-CD1 3.91Å; F335-F344 HydrophobicContact CZ-CD1 3.91Å; F335-F344 HydrophobicContact CZ-CE1 4.28Å; F335-F344 HydrophobicContact CZ-CG 4.19Å
336	R	76.7	Confident	81.4	Confident	54 Å²	54	23.7 Å²	23.7	20%	0.204	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	117.8	171.1	-148.4	-174.9	173.3	169.2	12.3	108.3	N265 V293 N294 D295 A296	N265-R336 WeakPolarHBondContact OD1-CG 3.25Å; V293-R336 PolarHBondContact O-NH1 3.05Å; N294-R336 CarbonylContact O-C 3.44Å; N294-R336 WeakPolarHBondContact O-CB 3.32Å; N294-R336 WeakPolarHBondContact O-CD 3.22Å; N294-R336 WeakPolarHBondContact O-CG 3.43Å; D295-R336 VanDerWaalsContact CA-O 3.28Å; D295-R336 WeakPolarHBondContact CA-O 3.4Å; A296-R336 PolarHBondContact N-O 3.1Å; A296-R336 PolarHBondContact O-N 3.17Å
337	M	70.1	Confident	81.3	Confident	23 Å²	23	26.1 Å²	26.1	11%	0.113	16%	0.163	C	C	.	.			trans	-138.3	102.8	-175.8	-57.6	-168.4	-177.2	0	0	110.5	V257 D295 F335 K342	V257-M337 HydrophobicContact CG1-CE 4.22Å; D295-M337 WeakPolarHBondContact OD1-CA 3.36Å; F335-M337 HydrophobicContact CB-CE 4.02Å; F335-M337 HydrophobicContact CD1-CE 3.72Å; F335-M337 HydrophobicContact CG-CE 4.22Å; M337-K342 HydrophobicContact CB-CD 4.13Å; M337-K342 HydrophobicContact CE-CB 4.19Å; M337-K342 HydrophobicContact CG-CD 3.83Å; M337-K342 HydrophobicContact SD-CB 3.96Å; M337-K342 HydrophobicContact SD-CD 4.06Å
338	T	60.7	Low	81.5	Confident	73 Å²	73	24 Å²	24	45%	0.448	15%	0.151	S	C	.	.	S	Bend	trans	-92.3	-34.1	-176.5	50.4	0	0	0	0	114.3	N294 D295	N294-T338 HydrophobicContact CB-CG2 3.69Å; D295-T338 PolarHBondContact OD1-N 3.05Å; D295-T338 PolarHBondContact OD1-OG1 3.05Å; D295-T338 PolarHBondContact OD2-OG1 2.98Å
339	S	59.1	Low	81.8	Confident	79 Å²	79	24.4 Å²	24.4	55%	0.552	15%	0.151	S	C	*	.	S	Bend	trans	-164.8	161.5	169.9	51	0	0	0	0	111.9	K342	S339-K342 VanDerWaalsContact O-CE 3.23Å; S339-K342 WeakPolarHBondContact O-CE 3.27Å; S339-K342 PolarHBondContact O-NZ 3.39Å
340	G	61.1	Low	81.9	Confident	34 Å²	34	24.2 Å²	24.2	35%	0.351	15%	0.15	S	C	.	.	S	Bend	trans	101	162.8	173.3	0	0	0	0	0	115.4	K342	G340-K342 PolarHBondContact O-N 2.96Å
341	S	63.4	Low	81.9	Confident	94 Å²	94	25 Å²	25	66%	0.657	16%	0.155	S	C	*	.			trans	-78.9	107.7	174.8	59	0	0	0	0	109.7
342	K	70.3	Confident	81.5	Confident	5 Å²	5	28.5 Å²	28.5	2%	0.022	18%	0.184	C	C	.	.			trans	-117.3	140.1	179	-63.6	172.6	-174.6	147.8	0	109.3	S259 D295 M337 S339 G340	S259-K342 PolarHBondContact N-O 2.85Å; S259-K342 VanDerWaalsContact N-O 3.16Å; D295-K342 IonicContact OD1-NZ 3.26Å; D295-K342 PolarHBondContact OD1-NZ 3.01Å; D295-K342 WeakPolarHBondContact OD2-CE 3.28Å; D295-K342 IonicContact OD2-NZ 2.78Å; D295-K342 PolarHBondContact OD2-NZ 3.43Å; M337-K342 HydrophobicContact CB-CD 4.13Å; M337-K342 HydrophobicContact CE-CB 4.19Å; M337-K342 HydrophobicContact CG-CD 3.83Å; M337-K342 HydrophobicContact SD-CB 3.96Å; M337-K342 HydrophobicContact SD-CD 4.06Å; S339-K342 VanDerWaalsContact O-CE 3.23Å; S339-K342 WeakPolarHBondContact O-CE 3.27Å; S339-K342 PolarHBondContact O-NZ 3.39Å; G340-K342 PolarHBondContact O-N 2.96Å
343	S	77.5	Confident	80.9	Confident	19 Å²	19	34.4 Å²	34.4	13%	0.133	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	130.8	175.5	63.8	0	0	0	0	109.9	V257 L286	V257-S343 WeakPolarHBondContact O-CA 3.15Å; L286-S343 WeakPolarHBondContact CD1-OG 3.32Å; L286-S343 PolarHBondContact N-O 3.45Å; L286-S343 PolarHBondContact O-N 2.59Å
344	F	84.5	Confident	80.2	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	125.4	166.1	170	-98.3	0	0	0	107.8	L255 N256 V257 L280 V282 F285 L297 F335	L255-F344 HydrophobicContact CB-CD1 4.42Å; L255-F344 HydrophobicContact CB-CE1 3.72Å; L255-F344 HydrophobicContact CD1-CE1 4.29Å; N256-F344 WeakPolarHBondContact CA-O 3.27Å; V257-F344 HydrophobicContact CB-CB 4.3Å; V257-F344 HydrophobicContact CG2-CD1 4.3Å; V257-F344 PolarHBondContact N-O 3.27Å; V257-F344 PolarHBondContact O-N 3.11Å; L280-F344 HydrophobicContact CD1-CZ 4.48Å; V282-F344 HydrophobicContact CB-CE2 4.14Å; V282-F344 HydrophobicContact CG1-CD2 4.19Å; V282-F344 HydrophobicContact CG1-CE2 3.64Å; V282-F344 HydrophobicContact CG2-CE2 3.73Å; V282-F344 HydrophobicContact CG2-CZ 4.17Å; F285-F344 HydrophobicContact CD2-CB 4.02Å; F285-F344 AromaticContact CD2-CD2 3.98Å; F285-F344 HydrophobicContact CD2-CD2 3.98Å; F285-F344 HydrophobicContact CE2-CB 4.43Å; L297-F344 HydrophobicContact CD2-CD2 3.47Å; L297-F344 VanDerWaalsContact CD2-CD2 3.47Å; L297-F344 HydrophobicContact CD2-CE2 3.34Å; L297-F344 HydrophobicContact CD2-CG 4.32Å; L297-F344 HydrophobicContact CD2-CZ 4.14Å; F335-F344 HydrophobicContact CE1-CB 3.85Å; F335-F344 HydrophobicContact CE1-CD1 4Å; F335-F344 HydrophobicContact CE1-CD2 4.36Å; F335-F344 AromaticContact CE1-CG 3.81Å; F335-F344 HydrophobicContact CE1-CG 3.81Å; F335-F344 AromaticContact CZ-CD1 3.91Å; F335-F344 HydrophobicContact CZ-CD1 3.91Å; F335-F344 HydrophobicContact CZ-CE1 4.28Å; F335-F344 HydrophobicContact CZ-CG 4.19Å
345	N	88.4	Confident	79.6	Confident	37 Å²	37	44.8 Å²	44.8	20%	0.198	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	136.9	168	-52.5	-52.6	0	0	0	108.6	L255 N256 Y258 T283 S284	L255-N345 CarbonylContact O-C 3.53Å; N256-N345 PolarHBondContact OD1-OD1 3.42Å; Y258-N345 PolarHBondContact OH-OD1 3.18Å; T283-N345 PolarHBondContact N-O 3.29Å; T283-N345 VanDerWaalsContact OG1-C 3.27Å; T283-N345 PolarHBondContact OG1-O 2.91Å; S284-N345 PolarHBondContact N-O 2.76Å; S284-N345 PolarHBondContact O-N 2.94Å; S284-N345 WeakPolarHBondContact OG-CB 2.84Å; S284-N345 PolarHBondContact OG-ND2 3.31Å
346	G	91.5	Very high	79.5	Confident	6 Å²	6	45.5 Å²	45.5	6%	0.062	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174	-171.2	179.4	0	0	0	0	0	111.1	L255 T281	L255-G346 PolarHBondContact N-O 2.87Å; L255-G346 PolarHBondContact O-N 3.06Å; T281-G346 CarbonylContact O-C 3.46Å; T281-G346 WeakPolarHBondContact O-CA 3.21Å
347	H	93.2	Very high	79.8	Confident	51 Å²	51	50 Å²	50	24%	0.236	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	162	170.2	57.8	-88.3	0	0	0	109.2	S252 V253 T281	S252-H347 WeakPolarHBondContact OG-CB 3.47Å; S252-H347 PolarHBondContact OG-CD2 3.33Å; V253-H347 CarbonylContact O-C 3.53Å; V253-H347 WeakPolarHBondContact O-CA 3.21Å; V253-H347 WeakPolarHBondContact O-CB 3.01Å; T281-H347 VanDerWaalsContact CB-CE1 3.47Å; T281-H347 WeakPolarHBondContact CB-CE1 3.45Å; T281-H347 WeakPolarHBondContact CB-NE2 3.15Å; T281-H347 PolarHBondContact N-O 3.38Å; T281-H347 PolarHBondContact O-N 2.84Å; T281-H347 PolarHBondContact OG1-NE2 2.97Å
348	F	94.7	Very high	80.5	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	156.4	169.5	78	-77.7	0	0	0	110.6	L244 A246 V253 L255 L270 I278 R279 L280	L244-F348 HydrophobicContact CB-CE1 3.83Å; L244-F348 HydrophobicContact CB-CZ 3.69Å; L244-F348 HydrophobicContact CD1-CE1 4.05Å; A246-F348 HydrophobicContact CB-CD2 4.26Å; A246-F348 HydrophobicContact CB-CE2 3.63Å; A246-F348 HydrophobicContact CB-CZ 4.39Å; V253-F348 HydrophobicContact CB-CD1 3.78Å; V253-F348 HydrophobicContact CB-CE1 3.38Å; V253-F348 HydrophobicContact CB-CE2 4.48Å; V253-F348 HydrophobicContact CB-CG 4.49Å; V253-F348 HydrophobicContact CB-CZ 3.77Å; V253-F348 HydrophobicContact CG1-CD1 4.12Å; V253-F348 HydrophobicContact CG1-CE1 3.34Å; V253-F348 HydrophobicContact CG1-CZ 3.83Å; V253-F348 HydrophobicContact CG2-CE1 4.17Å; V253-F348 HydrophobicContact CG2-CZ 4.03Å; V253-F348 PolarHBondContact N-O 2.03Å; V253-F348 PolarHBondContact O-N 2.78Å; L255-F348 HydrophobicContact CD1-CB 4.26Å; L255-F348 HydrophobicContact CD1-CD1 3.78Å; L255-F348 HydrophobicContact CD1-CG 4.44Å; L255-F348 HydrophobicContact CD2-CD1 3.92Å; L255-F348 HydrophobicContact CD2-CE1 4.05Å; L255-F348 HydrophobicContact CG-CD1 3.83Å; L255-F348 HydrophobicContact CG-CE1 4.43Å; L270-F348 HydrophobicContact CB-CD2 4.39Å; L270-F348 HydrophobicContact CB-CE2 4.35Å; L270-F348 HydrophobicContact CD1-CB 4.1Å; L270-F348 HydrophobicContact CD1-CD1 4.3Å; L270-F348 HydrophobicContact CD1-CD2 4.34Å; L270-F348 HydrophobicContact CD1-CG 4Å; L270-F348 HydrophobicContact CD2-CD1 3.88Å; L270-F348 HydrophobicContact CD2-CE1 3.73Å; L270-F348 HydrophobicContact CD2-CE2 4.39Å; L270-F348 HydrophobicContact CD2-CG 4.27Å; L270-F348 HydrophobicContact CD2-CZ 4.01Å; I278-F348 HydrophobicContact CG2-CB 4.19Å; I278-F348 HydrophobicContact CG2-CD2 4.07Å; R279-F348 CarbonylContact O-C 3.55Å; R279-F348 WeakPolarHBondContact O-CA 3.37Å; L280-F348 HydrophobicContact CD1-CB 4.19Å
349	E	94.2	Very high	81.7	Confident	19 Å²	19	55 Å²	55	9%	0.089	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	156	179.1	68.1	-163.6	125.2	0	0	110.9	A251 R279 V351	A251-E349 WeakPolarHBondContact O-CB 3.23Å; R279-E349 HydrophobicContact CB-CG 4Å; R279-E349 IonicContact CZ-OE1 2.74Å; R279-E349 IonicContact CZ-OE2 3.2Å; R279-E349 PolarHBondContact N-O 3.37Å; R279-E349 IonicContact NE-OE1 2.61Å; R279-E349 PolarHBondContact NE-OE1 2.78Å; R279-E349 IonicContact NH2-OE1 2.94Å; R279-E349 PolarHBondContact NH2-OE1 3.03Å; R279-E349 IonicContact NH2-OE2 3.87Å; R279-E349 PolarHBondContact NH2-OE2 2.92Å; R279-E349 PolarHBondContact O-N 3.2Å; E349-V351 HydrophobicContact CG-CG1 3.77Å
350	A	92.8	Very high	83	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.008	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	119.1	169.7	0	0	0	0	0	109.2	A246 P249 G250 A272 V273 L277	A246-A350 HydrophobicContact CB-CB 4Å; P249-A350 WeakPolarHBondContact CA-O 3.36Å; G250-A350 PolarHBondContact N-O 2.89Å; A272-A350 HydrophobicContact CB-CB 3.96Å; V273-A350 HydrophobicContact CG1-CB 4.45Å; L277-A350 WeakPolarHBondContact O-CA 3.46Å
351	V	91	Very high	84.2	Confident	19 Å²	19	57.5 Å²	57.5	12%	0.115	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	147.3	175.9	-59.5	0	0	0	0	110.3	S276 L277 R279 E349	S276-V351 CarbonylContact C-O 3.48Å; S276-V351 WeakPolarHBondContact CA-O 3.38Å; S276-V351 WeakPolarHBondContact CB-O 3.42Å; L277-V351 HydrophobicContact CB-CG2 3.87Å; L277-V351 PolarHBondContact N-O 3.11Å; L277-V351 PolarHBondContact O-N 2.89Å; R279-V351 HydrophobicContact CB-CG1 3.65Å; R279-V351 HydrophobicContact CB-CG2 4.16Å; E349-V351 HydrophobicContact CG-CG1 3.77Å
352	A	86.5	Confident	85.1	Confident	73 Å²	73	53.4 Å²	53.4	60%	0.603	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.2	152.3	172.1	0	0	0	0	0	110.5	E354	A352-E354 PolarHBondContact O-N 3.32Å
353	E	80.8	Confident	85.6	Confident	124 Å²	124	60.2 Å²	60.2	58%	0.579	31%	0.311	S	S	*	.			trans	-62.2	127.4	167.5	-171.8	169	-175.9	0	0	109.3	L277 I355	L277-E353 HydrophobicContact CD1-CB 4.41Å; L277-E353 HydrophobicContact CD1-CG 4.45Å; E353-I355 PolarHBondContact O-N 3.03Å
354	E	78.8	Confident	85.3	Confident	79 Å²	79	65.4 Å²	65.4	37%	0.369	34%	0.336	S	S	.	.			trans	-78.7	114.1	-173.9	-171.5	174.4	162	0	0	111.1	A352 C356 F376	A352-E354 PolarHBondContact O-N 3.32Å; E354-C356 VanDerWaalsContact C-N 3.34Å; E354-C356 HydrophobicContact CG-CB 4.23Å; E354-C356 PolarHBondContact O-N 2.84Å; E354-C356 VanDerWaalsContact O-N 3.14Å; E354-F376 HydrophobicContact CB-CD1 3.98Å; E354-F376 HydrophobicContact CB-CE1 3.44Å; E354-F376 VanDerWaalsContact CB-CE1 3.44Å; E354-F376 HydrophobicContact CB-CE2 4.42Å; E354-F376 HydrophobicContact CB-CZ 3.68Å; E354-F376 WeakPolarHBondContact OE2-CA 3.01Å; E354-F376 WeakPolarHBondContact OE2-CD1 3.47Å; E354-F376 PolarHBondContact OE2-N 2.77Å
355	I	75.5	Confident	84.4	Confident	146 Å²	146	70.5 Å²	70.5	75%	0.749	36%	0.363	S	S	*	.			trans	-85.6	84.6	170.5	-53.4	173.4	0	0	0	107.6	E353 M357	E353-I355 PolarHBondContact O-N 3.03Å; I355-M357 HydrophobicContact CG2-CG 4.32Å; I355-M357 HydrophobicContact CG2-SD 4.43Å; I355-M357 PolarHBondContact O-N 2.79Å; I355-M357 VanDerWaalsContact O-N 3.12Å
356	C	79.8	Confident	83.1	Confident	20 Å²	20	72.7 Å²	72.7	14%	0.135	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	84.6	178.5	-173.4	0	0	0	0	108.7	E354 C387 S388	E354-C356 VanDerWaalsContact C-N 3.34Å; E354-C356 HydrophobicContact CG-CB 4.23Å; E354-C356 PolarHBondContact O-N 2.84Å; E354-C356 VanDerWaalsContact O-N 3.14Å; C356-C387 HydrophobicContact CB-CB 3.42Å; C356-C387 VanDerWaalsContact CB-CB 3.42Å; C356-C387 WeakPolarHBondContact CB-SG 3.09Å; C356-C387 CarbonylContact O-C 3.59Å; C356-C387 WeakPolarHBondContact O-CA 3.17Å; C356-C387 PolarHBondContact O-SG 2.77Å; C356-C387 WeakPolarHBondContact SG-CB 3.32Å; C356-C387 CovalentContact SG-SG 2.01Å; C356-C387 PolarHBondContact SG-SG 2.95Å; C356-S388 PolarHBondContact O-N 2.92Å
357	M	82.6	Confident	81.8	Confident	147 Å²	147	78.3 Å²	78.3	72%	0.724	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.6	115.8	174	-74.1	-176.1	67.3	0	0	109.9	I355 S388	I355-M357 HydrophobicContact CG2-CG 4.32Å; I355-M357 HydrophobicContact CG2-SD 4.43Å; I355-M357 PolarHBondContact O-N 2.79Å; I355-M357 VanDerWaalsContact O-N 3.12Å; M357-S388 VanDerWaalsContact CA-O 3.32Å; M357-S388 WeakPolarHBondContact CA-O 3.31Å
358	S	83.8	Confident	80.8	Confident	43 Å²	43	80.4 Å²	80.4	30%	0.301	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	138.7	-179.9	64.5	0	0	0	0	112.7	S388 R390	S358-S388 PolarHBondContact N-O 2.82Å; S358-R390 PolarHBondContact O-N 3.26Å
359	Q	86.1	Confident	80	Confident	158 Å²	158	81.5 Å²	81.5	74%	0.738	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.2	122.8	164.3	-67.2	-171.8	-16.8	0	0	108.7	R390	Q359-R390 CarbonylContact C-O 3.59Å; Q359-R390 WeakPolarHBondContact CA-O 3.04Å; Q359-R390 HydrophobicContact CG-CB 4.39Å
360	I	87.6	Confident	79.7	Confident	22 Å²	22	81.5 Å²	81.5	11%	0.113	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	121.8	-172.2	-61.6	175.5	0	0	0	109.1	I372 R390 F391 K392 Y466	I360-I372 HydrophobicContact CD1-CG2 3.86Å; I360-R390 PolarHBondContact N-O 2.87Å; I360-F391 HydrophobicContact CB-CD1 3.87Å; I360-F391 HydrophobicContact CB-CE1 4.04Å; I360-F391 HydrophobicContact CD1-CD1 4.44Å; I360-F391 HydrophobicContact CD1-CE1 3.78Å; I360-F391 HydrophobicContact CD1-CZ 4Å; I360-F391 HydrophobicContact CG2-CD1 3.83Å; I360-F391 HydrophobicContact CG2-CE1 3.89Å; I360-F391 CarbonylContact O-C 3.6Å; I360-F391 VanDerWaalsContact O-CA 3.3Å; I360-F391 WeakPolarHBondContact O-CA 3.06Å; I360-K392 PolarHBondContact O-N 2.89Å; I360-Y466 HydrophobicContact CD1-CE1 4.23Å; I360-Y466 HydrophobicContact CG2-CD2 4.25Å; I360-Y466 HydrophobicContact CG2-CE1 4.16Å; I360-Y466 HydrophobicContact CG2-CE2 3.43Å; I360-Y466 VanDerWaalsContact CG2-CE2 3.43Å; I360-Y466 WeakPolarHBondContact CG2-OH 3.44Å
361	E	84.8	Confident	79.6	Confident	145 Å²	145	87.4 Å²	87.4	68%	0.678	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	124.6	170.1	-60.5	-166.7	151.5	0	0	109.6	K392	E361-K392 WeakPolarHBondContact CA-O 3.33Å; E361-K392 HydrophobicContact CG-CB 4.46Å
362	T	82.4	Confident	79.7	Confident	8 Å²	8	86.8 Å²	86.8	5%	0.049	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-86.8	151.7	-178.2	64.2	0	0	0	0	111.3	F391 K392 T393 P394 V400 Y466	T362-F391 HydrophobicContact CG2-CD1 4.16Å; T362-K392 PolarHBondContact N-O 2.91Å; T362-T393 WeakPolarHBondContact OG1-CA 3.19Å; T362-P394 VanDerWaalsContact O-CD 3.32Å; T362-P394 WeakPolarHBondContact O-CD 3.43Å; T362-P394 WeakPolarHBondContact O-CG 3.4Å; T362-V400 HydrophobicContact CG2-CG2 4.47Å; T362-Y466 HydrophobicContact CG2-CD2 4.06Å; T362-Y466 HydrophobicContact CG2-CE2 4.25Å
363	K	81.2	Confident	79.9	Confident	148 Å²	148	87.8 Å²	87.8	64%	0.643	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-86.2	163	175.1	-63.6	-179.8	-177.4	175.1	0	111.1	S369 S468	K363-S369 PolarHBondContact N-OG 3.33Å; K363-S468 PolarHBondContact O-OG 3.35Å
364	L	70.9	Confident	80.4	Confident	128 Å²	128	82 Å²	82	67%	0.67	41%	0.413	S	S	*	.	S	Bend	trans	-75.4	-22.6	-178.8	-153.1	94.7	0	0	0	113.2	P394 L398	L364-P394 HydrophobicContact CD1-CB 4.03Å; L364-P394 HydrophobicContact CD1-CG 4.27Å; L364-L398 HydrophobicContact CD1-CD1 4.05Å
365	D	65.1	Low	80.9	Confident	107 Å²	107	78.2 Å²	78.2	57%	0.572	40%	0.395	S	S	*	.	S	Bend	trans	-71.3	141.7	-179.7	-112.4	-34.5	0	0	0	111.2	D367	D365-D367 HydrophobicContact CB-CB 4.45Å; D365-D367 PolarHBondContact O-N 2.58Å
366	P	61.1	Low	81.6	Confident	83 Å²	83	72.4 Å²	72.4	54%	0.539	37%	0.365	S	S	.	.	S	Bend	trans	-68.6	-6.6	172.1	28.8	-33.3	0	0	0	113.1
367	D	65.3	Low	82.1	Confident	124 Å²	124	75.9 Å²	75.9	66%	0.663	38%	0.376	S	S	*	.	S	Bend	trans	-70	149.7	171.5	-82.7	-12.5	0	0	0	111.7	D365 S369	D365-D367 HydrophobicContact CB-CB 4.45Å; D365-D367 PolarHBondContact O-N 2.58Å; D367-S369 PolarHBondContact O-N 2.8Å
368	I	71.7	Confident	82.6	Confident	95 Å²	95	73 Å²	73	49%	0.487	37%	0.368	S	S	.	.			trans	-50.1	112.1	-176.2	-64.3	168.6	0	0	0	110	G370	I368-G370 WeakPolarHBondContact CG2-O 3.44Å
369	S	77.4	Confident	83	Confident	23 Å²	23	71 Å²	71	16%	0.161	35%	0.353	C	S	.	.			trans	-74	-30.4	-178.9	-71.4	0	0	0	0	111.9	K363 D367 Y466	K363-S369 PolarHBondContact N-OG 3.33Å; D367-S369 PolarHBondContact O-N 2.8Å; S369-Y466 WeakPolarHBondContact CB-O 3.47Å; S369-Y466 PolarHBondContact N-O 3.17Å
370	G	88.4	Confident	83.3	Confident	19 Å²	19	63.8 Å²	63.8	20%	0.196	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.5	-168	177.2	0	0	0	0	0	112.5	I368 S465 Y466	I368-G370 WeakPolarHBondContact CG2-O 3.44Å; G370-S465 CarbonylContact O-C 3.43Å; G370-S465 WeakPolarHBondContact O-CA 3.37Å; G370-Y466 VanDerWaalsContact C-CD1 3.47Å; G370-Y466 PolarHBondContact N-O 2.77Å; G370-Y466 WeakPolarHBondContact O-CD1 3.42Å; G370-Y466 PolarHBondContact O-N 2.97Å
371	R	91.4	Very high	83.4	Confident	125 Å²	125	62.9 Å²	62.9	47%	0.472	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	145.8	178.6	-64.5	-177.3	-178.9	-179	0.8	111.4	Y373 A464	R371-Y373 HydrophobicContact CB-CE2 4.07Å; R371-A464 CarbonylContact C-O 3.59Å; R371-A464 VanDerWaalsContact CA-O 3.28Å; R371-A464 WeakPolarHBondContact CA-O 3.28Å
372	I	92.1	Very high	83.7	Confident	5 Å²	5	56 Å²	56	3%	0.026	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	150.9	165.7	61.2	170.7	0	0	0	109.2	I360 W389 F391 L402 A464 Y466	I360-I372 HydrophobicContact CD1-CG2 3.86Å; I372-W389 HydrophobicContact CB-CZ2 4.49Å; I372-W389 HydrophobicContact CD1-CD2 4.45Å; I372-W389 HydrophobicContact CD1-CZ2 4.48Å; I372-W389 HydrophobicContact CG2-CG 4.49Å; I372-F391 HydrophobicContact CG2-CZ 4.25Å; I372-L402 HydrophobicContact CD1-CD1 4.23Å; I372-L402 HydrophobicContact CD1-CD2 4.11Å; I372-A464 HydrophobicContact CD1-CB 4.25Å; I372-A464 HydrophobicContact CG1-CB 3.82Å; I372-A464 PolarHBondContact N-O 2.77Å; I372-A464 PolarHBondContact O-N 2.79Å; I372-Y466 HydrophobicContact CG2-CD1 3.97Å; I372-Y466 HydrophobicContact CG2-CE1 4.19Å
373	Y	91.1	Very high	84.1	Confident	95 Å²	95	56.6 Å²	56.6	37%	0.373	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	151.1	-177.8	-57.2	-83.1	0	0	0	109.5	R371 Y377 W389 Q463	R371-Y373 HydrophobicContact CB-CE2 4.07Å; Y373-Y377 AromaticContact CD1-CD1 3.64Å; Y373-Y377 HydrophobicContact CD1-CD1 3.64Å; Y373-Y377 HydrophobicContact CD1-CD2 4.06Å; Y373-Y377 AromaticContact CD1-CE1 3.82Å; Y373-Y377 HydrophobicContact CD1-CE1 3.82Å; Y373-Y377 HydrophobicContact CD1-CE2 4.24Å; Y373-Y377 AromaticContact CD1-CG 3.79Å; Y373-Y377 HydrophobicContact CD1-CG 3.79Å; Y373-Y377 HydrophobicContact CE1-CD1 4.24Å; Y373-Y377 HydrophobicContact CE1-CE1 4.06Å; Y373-Y377 HydrophobicContact CG-CD1 4.22Å; Y373-Y377 HydrophobicContact CG-CG 4.18Å; Y373-W389 WeakPolarHBondContact O-CZ2 3.07Å; Y373-Q463 HydrophobicContact CD1-CB 3.84Å; Y373-Q463 HydrophobicContact CE1-CB 4.11Å
374	S	90.4	Very high	84.4	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.007	28%	0.284	C	S	.	.			trans	-62.4	155	169.2	69.5	0	0	0	0	111	F376 Y377 P461 F462	S374-F376 PolarHBondContact O-N 3.16Å; S374-Y377 WeakPolarHBondContact O-CB 2.93Å; S374-Y377 PolarHBondContact O-N 3.46Å; S374-P461 WeakPolarHBondContact OG-CA 3.38Å; S374-P461 WeakPolarHBondContact OG-CB 3.16Å; S374-F462 VanDerWaalsContact CB-CE1 3.46Å; S374-F462 WeakPolarHBondContact CB-O 3.23Å; S374-F462 PolarHBondContact N-O 3.29Å; S374-F462 PolarHBondContact OG-N 2.85Å; S374-F462 PolarHBondContact OG-O 3.34Å
375	P	89.9	Confident	85.3	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.006	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	138.1	173.9	-26.3	32.3	0	0	0	112.1	Y377 L381 C385 C387 F451	P375-Y377 PolarHBondContact O-N 2.91Å; P375-L381 HydrophobicContact CB-CD2 4.14Å; P375-L381 HydrophobicContact CG-CD2 4.28Å; P375-L381 WeakPolarHBondContact O-CD2 3.49Å; P375-C385 HydrophobicContact CB-CB 4.18Å; P375-C385 HydrophobicContact CG-CB 4.23Å; P375-C387 HydrophobicContact CG-CB 3.99Å; P375-F451 HydrophobicContact CG-CD1 4.37Å
376	F	90.6	Very high	86.5	Confident	24 Å²	24	46.6 Å²	46.6	11%	0.105	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	18.3	178.2	-49.3	-75.2	0	0	0	115.6	L277 V325 E354 S374 S379 P382	L277-F376 HydrophobicContact CD1-CE1 3.98Å; L277-F376 HydrophobicContact CD1-CE2 4.21Å; L277-F376 HydrophobicContact CD1-CZ 3.44Å; L277-F376 VanDerWaalsContact CD1-CZ 3.44Å; V325-F376 HydrophobicContact CB-CD2 4.47Å; V325-F376 HydrophobicContact CB-CG 4.44Å; V325-F376 HydrophobicContact CG1-CD1 4.35Å; V325-F376 HydrophobicContact CG1-CD2 4.18Å; V325-F376 HydrophobicContact CG1-CE1 4.41Å; V325-F376 HydrophobicContact CG1-CE2 4.26Å; V325-F376 HydrophobicContact CG1-CG 4.22Å; V325-F376 HydrophobicContact CG1-CZ 4.38Å; V325-F376 HydrophobicContact CG2-CB 3.87Å; V325-F376 HydrophobicContact CG2-CD1 4.43Å; V325-F376 HydrophobicContact CG2-CG 4.05Å; E354-F376 HydrophobicContact CB-CD1 3.98Å; E354-F376 HydrophobicContact CB-CE1 3.44Å; E354-F376 VanDerWaalsContact CB-CE1 3.44Å; E354-F376 HydrophobicContact CB-CE2 4.42Å; E354-F376 HydrophobicContact CB-CZ 3.68Å; E354-F376 WeakPolarHBondContact OE2-CA 3.01Å; E354-F376 WeakPolarHBondContact OE2-CD1 3.47Å; E354-F376 PolarHBondContact OE2-N 2.77Å; S374-F376 PolarHBondContact O-N 3.16Å; F376-S379 WeakPolarHBondContact O-CA 3.29Å; F376-S379 WeakPolarHBondContact O-CB 3.27Å; F376-S379 PolarHBondContact O-N 2.84Å; F376-S379 PolarHBondContact O-OG 2.91Å; F376-P382 HydrophobicContact CD2-CG 4.18Å; F376-P382 HydrophobicContact CE2-CG 4.1Å
377	Y	90.4	Very high	88	Confident	93 Å²	93	42.7 Å²	42.7	37%	0.365	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	134.8	178.8	-175.4	-86.1	0	0	0	112	Y373 S374 P375 P461 Q463	Y373-Y377 AromaticContact CD1-CD1 3.64Å; Y373-Y377 HydrophobicContact CD1-CD1 3.64Å; Y373-Y377 HydrophobicContact CD1-CD2 4.06Å; Y373-Y377 AromaticContact CD1-CE1 3.82Å; Y373-Y377 HydrophobicContact CD1-CE1 3.82Å; Y373-Y377 HydrophobicContact CD1-CE2 4.24Å; Y373-Y377 AromaticContact CD1-CG 3.79Å; Y373-Y377 HydrophobicContact CD1-CG 3.79Å; Y373-Y377 HydrophobicContact CE1-CD1 4.24Å; Y373-Y377 HydrophobicContact CE1-CE1 4.06Å; Y373-Y377 HydrophobicContact CG-CD1 4.22Å; Y373-Y377 HydrophobicContact CG-CG 4.18Å; S374-Y377 WeakPolarHBondContact O-CB 2.93Å; S374-Y377 PolarHBondContact O-N 3.46Å; P375-Y377 PolarHBondContact O-N 2.91Å; Y377-P461 HydrophobicContact CD2-CB 3.79Å; Y377-P461 HydrophobicContact CE2-CB 4.16Å; Y377-Q463 HydrophobicContact CE2-CB 4.26Å
378	P	91.9	Very high	89.3	Confident	86 Å²	86	38.1 Å²	38.1	56%	0.558	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	cis	-92.4	22.3	7.4	38	-37	0	0	0	114.4
379	S	92.8	Very high	90.4	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.172	C	C	.	.	S	Bend	trans	-72.2	152.3	-179.9	-43.3	0	0	0	0	112	S323 F376 L381	S323-S379 CarbonylContact O-C 3.6Å; S323-S379 WeakPolarHBondContact O-CA 3.44Å; S323-S379 VanDerWaalsContact OG-CA 3.23Å; S323-S379 WeakPolarHBondContact OG-CA 3.24Å; S323-S379 WeakPolarHBondContact OG-CB 3.4Å; S323-S379 PolarHBondContact OG-OG 2.86Å; F376-S379 WeakPolarHBondContact O-CA 3.29Å; F376-S379 WeakPolarHBondContact O-CB 3.27Å; F376-S379 PolarHBondContact O-N 2.84Å; F376-S379 PolarHBondContact O-OG 2.91Å; S379-L381 PolarHBondContact O-N 3.05Å
380	L	92.4	Very high	91.1	Very high	8 Å²	8	38.6 Å²	38.6	4%	0.042	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-58.1	134.8	167.9	-63.3	178.7	0	0	0	109.9	F322 S323 I324 A459	F322-L380 HydrophobicContact CD2-CD1 3.96Å; F322-L380 HydrophobicContact CD2-CG 4.35Å; F322-L380 HydrophobicContact CE2-CD1 4Å; S323-L380 PolarHBondContact O-N 2.85Å; I324-L380 HydrophobicContact CG1-CD1 3.88Å; L380-A459 CarbonylContact C-O 3.58Å; L380-A459 VanDerWaalsContact CA-O 3.3Å; L380-A459 WeakPolarHBondContact CA-O 3.48Å
381	L	90.6	Very high	91.4	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-67.7	128	-177.2	-71.8	169	0	0	0	110.4	P375 S379 F451 S458 A459 Q460 F462	P375-L381 HydrophobicContact CB-CD2 4.14Å; P375-L381 HydrophobicContact CG-CD2 4.28Å; P375-L381 WeakPolarHBondContact O-CD2 3.49Å; S379-L381 PolarHBondContact O-N 3.05Å; L381-F451 HydrophobicContact CD1-CE1 4.11Å; L381-F451 HydrophobicContact CD1-CZ 4.14Å; L381-F451 HydrophobicContact CD2-CE1 4.48Å; L381-S458 CarbonylContact O-C 3.55Å; L381-S458 WeakPolarHBondContact O-CA 3.19Å; L381-S458 WeakPolarHBondContact O-CB 3.39Å; L381-A459 HydrophobicContact CB-CB 4.28Å; L381-A459 PolarHBondContact N-O 3.12Å; L381-A459 PolarHBondContact O-N 3.31Å; L381-Q460 WeakPolarHBondContact CD1-O 3.46Å; L381-F462 HydrophobicContact CD1-CD1 4.24Å; L381-F462 HydrophobicContact CD1-CE1 4.23Å
382	P	91.2	Very high	91.4	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.013	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-65.3	159	174	24.3	-31	0	0	0	111.6	V325 T327 F376 Q384 C385 C453	V325-P382 WeakPolarHBondContact O-CB 3.29Å; T327-P382 HydrophobicContact CG2-CB 4.04Å; F376-P382 HydrophobicContact CD2-CG 4.18Å; F376-P382 HydrophobicContact CE2-CG 4.1Å; P382-Q384 PolarHBondContact O-N 2.68Å; P382-C385 HydrophobicContact CG-CB 3.99Å; P382-C385 PolarHBondContact O-SG 3.26Å; P382-C453 WeakPolarHBondContact O-CB 3.32Å
383	P	89.3	Confident	91.4	Very high	20 Å²	20	37.8 Å²	37.8	13%	0.13	18%	0.181	C	C	.	.	S	Bend	trans	-52.2	-29.4	175	-31.7	36.6	0	0	0	114.8	L311 T327 C453 S455	L311-P383 HydrophobicContact CD2-CG 3.69Å; T327-P383 HydrophobicContact CG2-CB 4.18Å; T327-P383 HydrophobicContact CG2-CG 4.35Å; P383-C453 CarbonylContact O-C 3.56Å; P383-C453 VanDerWaalsContact O-C 3.28Å; P383-C453 VanDerWaalsContact O-O 3.09Å; P383-S455 VanDerWaalsContact CA-O 3.28Å; P383-S455 WeakPolarHBondContact CA-O 3.4Å; P383-S455 VanDerWaalsContact CB-O 3.27Å; P383-S455 WeakPolarHBondContact CB-O 3.44Å
384	Q	88.6	Confident	91.3	Very high	123 Å²	123	37 Å²	37	58%	0.575	19%	0.188	S	C	*	.	S	Bend	trans	-129.9	119.4	177.3	-62	-179.5	22.7	0	0	109.6	T327 P382	T327-Q384 HydrophobicContact CG2-CB 3.96Å; T327-Q384 HydrophobicContact CG2-CG 4.4Å; P382-Q384 PolarHBondContact O-N 2.68Å
385	C	89.3	Confident	91.2	Very high	16 Å²	16	40.5 Å²	40.5	11%	0.108	21%	0.207	C	C	.	.			trans	-156	165.7	170.6	32	0	0	0	0	110.4	P375 P382 R452 C453	P375-C385 HydrophobicContact CB-CB 4.18Å; P375-C385 HydrophobicContact CG-CB 4.23Å; P382-C385 HydrophobicContact CG-CB 3.99Å; P382-C385 PolarHBondContact O-SG 3.26Å; C385-R452 WeakPolarHBondContact O-CA 3.19Å; C385-C453 HydrophobicContact CB-CB 4.1Å; C385-C453 WeakPolarHBondContact CB-SG 3.22Å; C385-C453 PolarHBondContact O-N 3.01Å; C385-C453 WeakPolarHBondContact SG-CB 3.4Å; C385-C453 CovalentContact SG-SG 2.01Å; C385-C453 PolarHBondContact SG-SG 2.76Å
386	S	90.4	Very high	91.2	Very high	34 Å²	34	44.7 Å²	44.7	24%	0.238	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	138	178.1	-170.2	0	0	0	0	111.1	F451 R452	S386-F451 CarbonylContact C-O 3.44Å; S386-F451 VanDerWaalsContact CA-O 3.28Å; S386-F451 WeakPolarHBondContact CA-O 3.29Å; S386-R452 VanDerWaalsContact CB-CZ 3.43Å; S386-R452 PolarHBondContact OG-NE 2.76Å; S386-R452 PolarHBondContact OG-NH2 2.91Å
387	C	91.9	Very high	91.2	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.007	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	149.7	164.1	-177.1	0	0	0	0	110.6	C356 P375 W389 E450 F451	C356-C387 HydrophobicContact CB-CB 3.42Å; C356-C387 VanDerWaalsContact CB-CB 3.42Å; C356-C387 WeakPolarHBondContact CB-SG 3.09Å; C356-C387 CarbonylContact O-C 3.59Å; C356-C387 WeakPolarHBondContact O-CA 3.17Å; C356-C387 PolarHBondContact O-SG 2.77Å; C356-C387 WeakPolarHBondContact SG-CB 3.32Å; C356-C387 CovalentContact SG-SG 2.01Å; C356-C387 PolarHBondContact SG-SG 2.95Å; P375-C387 HydrophobicContact CG-CB 3.99Å; C387-W389 HydrophobicContact CB-CH2 3.65Å; C387-W389 HydrophobicContact CB-CZ2 3.82Å; C387-W389 HydrophobicContact CB-CZ3 4.09Å; C387-W389 VanDerWaalsContact SG-CH2 3.59Å; C387-W389 WeakPolarHBondContact SG-CZ2 3.17Å; C387-E450 CarbonylContact O-C 3.55Å; C387-E450 WeakPolarHBondContact O-CA 3.16Å; C387-F451 PolarHBondContact N-O 3.3Å; C387-F451 PolarHBondContact O-N 3.14Å
388	S	93.1	Very high	91.3	Very high	28 Å²	28	47.3 Å²	47.3	20%	0.196	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	133.7	175.2	-54.9	0	0	0	0	112.1	C356 M357 S358 M449	C356-S388 PolarHBondContact O-N 2.92Å; M357-S388 VanDerWaalsContact CA-O 3.32Å; M357-S388 WeakPolarHBondContact CA-O 3.31Å; S358-S388 PolarHBondContact N-O 2.82Å; S388-M449 CarbonylContact C-O 3.44Å; S388-M449 WeakPolarHBondContact CA-O 3.41Å
389	W	94.1	Very high	91.3	Very high	9 Å²	9	43.2 Å²	43.2	3%	0.034	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	138.1	175.4	-55.4	-93.5	0	0	0	109.5	I372 Y373 C387 F391 W422 M449 F451 F462	I372-W389 HydrophobicContact CB-CZ2 4.49Å; I372-W389 HydrophobicContact CD1-CD2 4.45Å; I372-W389 HydrophobicContact CD1-CZ2 4.48Å; I372-W389 HydrophobicContact CG2-CG 4.49Å; Y373-W389 WeakPolarHBondContact O-CZ2 3.07Å; C387-W389 HydrophobicContact CB-CH2 3.65Å; C387-W389 HydrophobicContact CB-CZ2 3.82Å; C387-W389 HydrophobicContact CB-CZ3 4.09Å; C387-W389 VanDerWaalsContact SG-CH2 3.59Å; C387-W389 WeakPolarHBondContact SG-CZ2 3.17Å; W389-F391 HydrophobicContact CB-CD2 4.32Å; W389-F391 HydrophobicContact CB-CE2 3.66Å; W389-F391 HydrophobicContact CB-CZ 4.23Å; W389-F391 HydrophobicContact CG-CE2 4.48Å; W389-W422 HydrophobicContact CE3-CZ3 4.13Å; W389-W422 HydrophobicContact CH2-CH2 4.05Å; W389-W422 HydrophobicContact CH2-CZ3 4.17Å; W389-W422 HydrophobicContact CZ3-CE3 4.29Å; W389-W422 AromaticContact CZ3-CH2 3.87Å; W389-W422 HydrophobicContact CZ3-CH2 3.87Å; W389-W422 AromaticContact CZ3-CZ3 3.5Å; W389-W422 HydrophobicContact CZ3-CZ3 3.5Å; W389-M449 HydrophobicContact CB-CB 4.42Å; W389-M449 HydrophobicContact CE3-CB 4.25Å; W389-M449 PolarHBondContact N-O 2.01Å; W389-M449 PolarHBondContact O-N 2.89Å; W389-F451 HydrophobicContact CH2-CB 4Å; W389-F451 HydrophobicContact CZ3-CB 3.63Å; W389-F462 HydrophobicContact CH2-CZ 4.43Å
390	R	93.9	Very high	91.4	Very high	119 Å²	119	43.2 Å²	43.2	45%	0.449	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	115.8	169.7	-178.1	177.1	-69.8	179.7	-3.9	108.5	S358 Q359 I360	S358-R390 PolarHBondContact O-N 3.26Å; Q359-R390 CarbonylContact C-O 3.59Å; Q359-R390 WeakPolarHBondContact CA-O 3.04Å; Q359-R390 HydrophobicContact CG-CB 4.39Å; I360-R390 PolarHBondContact N-O 2.87Å
391	F	93.3	Very high	91.4	Very high	1 Å²	1	42.8 Å²	42.8	0%	0.004	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	154.7	177.2	-65.5	-92.8	0	0	0	110.7	I360 T362 I372 W389 V400 L402 S446 P447 M449 Y466	I360-F391 HydrophobicContact CB-CD1 3.87Å; I360-F391 HydrophobicContact CB-CE1 4.04Å; I360-F391 HydrophobicContact CD1-CD1 4.44Å; I360-F391 HydrophobicContact CD1-CE1 3.78Å; I360-F391 HydrophobicContact CD1-CZ 4Å; I360-F391 HydrophobicContact CG2-CD1 3.83Å; I360-F391 HydrophobicContact CG2-CE1 3.89Å; I360-F391 CarbonylContact O-C 3.6Å; I360-F391 VanDerWaalsContact O-CA 3.3Å; I360-F391 WeakPolarHBondContact O-CA 3.06Å; T362-F391 HydrophobicContact CG2-CD1 4.16Å; I372-F391 HydrophobicContact CG2-CZ 4.25Å; W389-F391 HydrophobicContact CB-CD2 4.32Å; W389-F391 HydrophobicContact CB-CE2 3.66Å; W389-F391 HydrophobicContact CB-CZ 4.23Å; W389-F391 HydrophobicContact CG-CE2 4.48Å; F391-V400 HydrophobicContact CB-CG2 3.79Å; F391-V400 HydrophobicContact CD1-CG1 3.99Å; F391-V400 HydrophobicContact CD2-CG1 4.48Å; F391-V400 HydrophobicContact CE1-CG1 4.28Å; F391-V400 HydrophobicContact CG-CG1 4.09Å; F391-V400 HydrophobicContact CG-CG2 4.21Å; F391-L402 HydrophobicContact CZ-CD2 4.11Å; F391-S446 CarbonylContact O-C 3.58Å; F391-S446 WeakPolarHBondContact O-CA 3.35Å; F391-P447 HydrophobicContact CB-CG 3.95Å; F391-P447 HydrophobicContact CD2-CG 4.45Å; F391-P447 PolarHBondContact N-O 3.31Å; F391-M449 HydrophobicContact CD2-SD 4.05Å; F391-M449 HydrophobicContact CE2-SD 3.58Å; F391-M449 VanDerWaalsContact CE2-SD 3.58Å; F391-Y466 HydrophobicContact CD1-CD2 4.43Å; F391-Y466 HydrophobicContact CE1-CD1 4.12Å; F391-Y466 AromaticContact CE1-CD2 3.92Å; F391-Y466 HydrophobicContact CE1-CD2 3.92Å; F391-Y466 HydrophobicContact CE1-CE2 4.42Å; F391-Y466 AromaticContact CE1-CG 3.77Å; F391-Y466 HydrophobicContact CE1-CG 3.77Å
392	K	92.8	Very high	91.6	Very high	121 Å²	121	42.7 Å²	42.7	53%	0.526	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	122.1	170	-172	-180	177.5	-168.2	0	109.3	I360 E361 T362 H445	I360-K392 PolarHBondContact O-N 2.89Å; E361-K392 WeakPolarHBondContact CA-O 3.33Å; E361-K392 HydrophobicContact CG-CB 4.46Å; T362-K392 PolarHBondContact N-O 2.91Å; K392-H445 WeakPolarHBondContact CA-O 3.28Å
393	T	91.3	Very high	91.8	Very high	10 Å²	10	45.3 Å²	45.3	6%	0.061	23%	0.233	C	C	.	.			trans	-89.6	156	176.9	68.5	0	0	0	0	111.1	T362 N395 L398 V400 H445	T362-T393 WeakPolarHBondContact OG1-CA 3.19Å; T393-N395 PolarHBondContact O-N 2.8Å; T393-N395 PolarHBondContact OG1-O 2.81Å; T393-L398 HydrophobicContact CG2-CB 4.32Å; T393-L398 PolarHBondContact OG1-O 2.81Å; T393-V400 HydrophobicContact CG2-CG2 3.68Å; T393-H445 PolarHBondContact N-O 3.07Å; T393-H445 VanDerWaalsContact OG1-CA 3.29Å; T393-H445 WeakPolarHBondContact OG1-CA 3.3Å; T393-H445 WeakPolarHBondContact OG1-CB 3.26Å; T393-H445 PolarHBondContact OG1-O 3.13Å
394	P	89.4	Confident	92	Very high	79 Å²	79	44.3 Å²	44.3	51%	0.513	23%	0.226	S	C	.	.	S	Bend	trans	-65.8	-21	179.1	-23.6	33.9	0	0	0	114.5	T362 L364	T362-P394 VanDerWaalsContact O-CD 3.32Å; T362-P394 WeakPolarHBondContact O-CD 3.43Å; T362-P394 WeakPolarHBondContact O-CG 3.4Å; L364-P394 HydrophobicContact CD1-CB 4.03Å; L364-P394 HydrophobicContact CD1-CG 4.27Å
395	N	88.1	Confident	92	Very high	74 Å²	74	42.4 Å²	42.4	40%	0.396	22%	0.217	S	C	.	.	S	Bend	trans	-144.7	139.9	-172.5	-176.3	-16.5	0	0	0	110.1	T393 K397 L398	T393-N395 PolarHBondContact O-N 2.8Å; T393-N395 PolarHBondContact OG1-O 2.81Å; N395-K397 PolarHBondContact O-N 3.28Å; N395-K397 VanDerWaalsContact O-N 3.11Å; N395-K397 PolarHBondContact OD1-N 3.37Å; N395-K397 VanDerWaalsContact OD1-N 3.08Å; N395-L398 HydrophobicContact CB-CD1 4.09Å; N395-L398 HydrophobicContact CB-CG 4.18Å; N395-L398 WeakPolarHBondContact O-CB 3.42Å; N395-L398 PolarHBondContact O-N 2.81Å
396	S	89.9	Confident	91.9	Very high	89 Å²	89	43.6 Å²	43.6	62%	0.622	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-17.3	177.7	57.6	0	0	0	0	115	L398	S396-L398 VanDerWaalsContact C-N 3.31Å
397	K	91.2	Very high	91.9	Very high	147 Å²	147	42 Å²	42	64%	0.639	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-10.9	173.5	-62.8	-175.2	-179.2	-177.8	0	114	N395 I471	N395-K397 PolarHBondContact O-N 3.28Å; N395-K397 VanDerWaalsContact O-N 3.11Å; N395-K397 PolarHBondContact OD1-N 3.37Å; N395-K397 VanDerWaalsContact OD1-N 3.08Å; K397-I471 WeakPolarHBondContact O-CG1 3.35Å; K397-I471 PolarHBondContact O-N 2.98Å; K397-I471 VanDerWaalsContact O-N 3.17Å
398	L	91.5	Very high	91.8	Very high	24 Å²	24	42.5 Å²	42.5	13%	0.126	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	137.1	-177.4	-61.5	175.5	0	0	0	110.8	L364 T393 N395 S396 H445 Y469 N470	L364-L398 HydrophobicContact CD1-CD1 4.05Å; T393-L398 HydrophobicContact CG2-CB 4.32Å; T393-L398 PolarHBondContact OG1-O 2.81Å; N395-L398 HydrophobicContact CB-CD1 4.09Å; N395-L398 HydrophobicContact CB-CG 4.18Å; N395-L398 WeakPolarHBondContact O-CB 3.42Å; N395-L398 PolarHBondContact O-N 2.81Å; S396-L398 VanDerWaalsContact C-N 3.31Å; L398-H445 WeakPolarHBondContact O-CA 3.39Å; L398-Y469 CarbonylContact C-O 3.56Å; L398-Y469 VanDerWaalsContact CA-O 3.25Å; L398-Y469 WeakPolarHBondContact CA-O 3.47Å; L398-N470 HydrophobicContact CD2-CB 4.47Å
399	G	92.8	Very high	91.7	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	178.8	169.8	0	0	0	0	0	111.4	I442 D444 S468 Y469	G399-I442 VanDerWaalsContact CA-O 3.29Å; G399-I442 WeakPolarHBondContact CA-O 3.36Å; G399-D444 WeakPolarHBondContact CA-O 3.3Å; G399-S468 VanDerWaalsContact O-CA 3.3Å; G399-S468 WeakPolarHBondContact O-CA 3.21Å; G399-Y469 PolarHBondContact N-O 3.38Å; G399-Y469 PolarHBondContact O-N 2.8Å
400	V	93.9	Very high	91.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	131.4	176.9	-179.3	0	0	0	0	109.4	T362 F391 T393 L402 I442 P447 Y469	T362-V400 HydrophobicContact CG2-CG2 4.47Å; F391-V400 HydrophobicContact CB-CG2 3.79Å; F391-V400 HydrophobicContact CD1-CG1 3.99Å; F391-V400 HydrophobicContact CD2-CG1 4.48Å; F391-V400 HydrophobicContact CE1-CG1 4.28Å; F391-V400 HydrophobicContact CG-CG1 4.09Å; F391-V400 HydrophobicContact CG-CG2 4.21Å; T393-V400 HydrophobicContact CG2-CG2 3.68Å; V400-L402 HydrophobicContact CG1-CD2 4.37Å; V400-I442 PolarHBondContact N-O 2.03Å; V400-I442 VanDerWaalsContact O-CD1 3.31Å; V400-I442 WeakPolarHBondContact O-CD1 3.07Å; V400-I442 PolarHBondContact O-N 2.94Å; V400-P447 HydrophobicContact CB-CG 4.11Å; V400-P447 HydrophobicContact CG2-CG 3.75Å; V400-Y469 WeakPolarHBondContact O-CE1 3.06Å
401	A	93.4	Very high	91	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	134.8	172.1	0	0	0	0	0	109.8	V439 F440 R441 Y466 Y467 Y469	A401-V439 HydrophobicContact CB-CG1 4.11Å; A401-F440 WeakPolarHBondContact CA-O 3.06Å; A401-R441 HydrophobicContact CB-CG 4.06Å; A401-Y466 VanDerWaalsContact O-CA 3.26Å; A401-Y466 WeakPolarHBondContact O-CA 3.32Å; A401-Y467 HydrophobicContact CB-CD1 4.32Å; A401-Y467 HydrophobicContact CB-CD2 3.96Å; A401-Y467 HydrophobicContact CB-CE1 3.93Å; A401-Y467 HydrophobicContact CB-CE2 3.51Å; A401-Y467 HydrophobicContact CB-CG 4.34Å; A401-Y467 VanDerWaalsContact CB-CZ 3.49Å; A401-Y467 PolarHBondContact N-O 2.94Å; A401-Y467 PolarHBondContact O-N 2.83Å; A401-Y467 VanDerWaalsContact O-N 3.13Å; A401-Y469 HydrophobicContact CB-CD1 3.9Å
402	L	94.7	Very high	90.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	113.5	172.1	-61.7	-175.3	0	0	0	109.1	I372 F391 V400 F404 V439 F440 I442 M449 S465	I372-L402 HydrophobicContact CD1-CD1 4.23Å; I372-L402 HydrophobicContact CD1-CD2 4.11Å; F391-L402 HydrophobicContact CZ-CD2 4.11Å; V400-L402 HydrophobicContact CG1-CD2 4.37Å; L402-F404 HydrophobicContact CB-CD2 4.39Å; L402-F404 HydrophobicContact CB-CE2 3.8Å; L402-F404 HydrophobicContact CB-CZ 4.28Å; L402-F404 HydrophobicContact CD1-CE2 4.31Å; L402-F404 HydrophobicContact CD1-CZ 4.14Å; L402-V439 CarbonylContact O-C 3.47Å; L402-V439 WeakPolarHBondContact O-CA 3.39Å; L402-F440 PolarHBondContact N-O 3.31Å; L402-F440 PolarHBondContact O-N 3.39Å; L402-I442 HydrophobicContact CG-CD1 4.31Å; L402-M449 HydrophobicContact CD1-CE 3.69Å; L402-M449 HydrophobicContact CD1-SD 3.81Å; L402-M449 HydrophobicContact CG-CE 4.34Å; L402-S465 CarbonylContact C-O 3.1Å
403	Q	94.5	Very high	89.9	Confident	56 Å²	56	48 Å²	48	26%	0.262	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	111	174.2	-178.6	176.1	15.2	0	0	110	T438 V439 A464 S465 Y467	Q403-T438 CarbonylContact C-O 3.57Å; Q403-T438 WeakPolarHBondContact CA-O 3.03Å; Q403-V439 HydrophobicContact CB-CG2 4.16Å; Q403-V439 HydrophobicContact CG-CG2 4.03Å; Q403-A464 CarbonylContact O-C 3.53Å; Q403-A464 WeakPolarHBondContact O-CA 3.4Å; Q403-S465 PolarHBondContact N-O 3.44Å; Q403-S465 PolarHBondContact O-N 2.86Å; Q403-Y467 HydrophobicContact CB-CE1 4.28Å
404	F	94	Very high	89	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	146.3	176.5	-66.8	-86.5	0	0	0	110.7	L402 Y407 L409 W422 H437 T438 F440 F462 A464	L402-F404 HydrophobicContact CB-CD2 4.39Å; L402-F404 HydrophobicContact CB-CE2 3.8Å; L402-F404 HydrophobicContact CB-CZ 4.28Å; L402-F404 HydrophobicContact CD1-CE2 4.31Å; L402-F404 HydrophobicContact CD1-CZ 4.14Å; F404-Y407 WeakPolarHBondContact CB-O 3.11Å; F404-Y407 HydrophobicContact CD1-CD1 4.01Å; F404-Y407 HydrophobicContact CD1-CG 4.28Å; F404-Y407 AromaticContact CE1-CD1 3.93Å; F404-Y407 HydrophobicContact CE1-CD1 3.93Å; F404-Y407 HydrophobicContact CZ-CD1 4.46Å; F404-L409 HydrophobicContact CE2-CD1 4.01Å; F404-L409 HydrophobicContact CE2-CG 4.1Å; F404-L409 HydrophobicContact CZ-CD1 4.05Å; F404-L409 HydrophobicContact CZ-CG 4.26Å; F404-W422 HydrophobicContact CE1-CH2 4.23Å; F404-W422 HydrophobicContact CE1-CZ2 4.19Å; F404-W422 HydrophobicContact CZ-CH2 4.13Å; F404-W422 HydrophobicContact CZ-CZ2 4.24Å; F404-H437 VanDerWaalsContact O-CA 3.29Å; F404-H437 WeakPolarHBondContact O-CA 3.45Å; F404-T438 PolarHBondContact N-O 3Å; F404-T438 PolarHBondContact O-N 2.92Å; F404-F440 HydrophobicContact CE2-CB 4.14Å; F404-F462 HydrophobicContact CD1-CD2 4.41Å; F404-F462 HydrophobicContact CE1-CD2 4.01Å; F404-F462 HydrophobicContact CE1-CE2 4.39Å; F404-A464 HydrophobicContact CD1-CB 3.58Å; F404-A464 HydrophobicContact CE1-CB 3.61Å; F404-A464 HydrophobicContact CG-CB 4.07Å; F404-A464 HydrophobicContact CZ-CB 4.11Å
405	E	87.7	Confident	88.1	Confident	82 Å²	82	59.4 Å²	59.4	38%	0.383	30%	0.303	S	S	.	.	S	Bend	trans	-82.2	-42.4	176.7	-68.7	-176.8	176.2	0	0	112.9	H436 H437 Q463	E405-H436 CarbonylContact O-C 3.53Å; E405-H436 VanDerWaalsContact O-O 3.07Å; E405-H437 WeakPolarHBondContact O-CA 3.45Å; E405-H437 PolarHBondContact O-CD2 3.19Å; E405-H437 PolarHBondContact O-N 2.74Å; E405-Q463 HydrophobicContact CG-CG 4.43Å; E405-Q463 PolarHBondContact OE1-NE2 2.87Å; E405-Q463 VanDerWaalsContact OE1-NE2 3.11Å; E405-Q463 PolarHBondContact OE2-NE2 2.76Å
406	N	87.1	Confident	87.6	Confident	42 Å²	42	57.1 Å²	57.1	23%	0.225	30%	0.297	C	S	.	.	S	Bend	trans	-142.3	28.2	-174.1	65	-19.5	0	0	0	112.6	Y433 V434	N406-Y433 VanDerWaalsContact O-CA 3.31Å; N406-Y433 WeakPolarHBondContact O-CA 3.38Å; N406-V434 CarbonylContact C-O 3.54Å; N406-V434 VanDerWaalsContact C-O 3.29Å; N406-V434 WeakPolarHBondContact CA-O 3.06Å; N406-V434 VanDerWaalsContact CB-O 3.31Å; N406-V434 WeakPolarHBondContact CB-O 3.45Å; N406-V434 PolarHBondContact O-N 2.66Å
407	Y	90.4	Very high	87.3	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	147.5	-173.8	-154.9	-107.5	0	0	0	109.8	F404 L409 W422 G431 M432 Y433 T438 F462	F404-Y407 WeakPolarHBondContact CB-O 3.11Å; F404-Y407 HydrophobicContact CD1-CD1 4.01Å; F404-Y407 HydrophobicContact CD1-CG 4.28Å; F404-Y407 AromaticContact CE1-CD1 3.93Å; F404-Y407 HydrophobicContact CE1-CD1 3.93Å; F404-Y407 HydrophobicContact CZ-CD1 4.46Å; Y407-L409 HydrophobicContact CD1-CD2 4.08Å; Y407-L409 HydrophobicContact CE1-CD2 3.7Å; Y407-W422 HydrophobicContact CE1-CZ2 4.2Å; Y407-W422 AromaticContact CE1-NE1 3.52Å; Y407-G431 WeakPolarHBondContact OH-CA 3.37Å; Y407-M432 CarbonylContact C-O 3.51Å; Y407-M432 WeakPolarHBondContact CA-O 3.49Å; Y407-Y433 AromaticContact CD2-CD1 3.63Å; Y407-Y433 HydrophobicContact CD2-CD1 3.63Å; Y407-Y433 AromaticContact CD2-CE1 3.53Å; Y407-Y433 HydrophobicContact CD2-CE1 3.53Å; Y407-Y433 HydrophobicContact CD2-CE2 4.48Å; Y407-Y433 HydrophobicContact CD2-CG 4.15Å; Y407-Y433 AromaticContact CD2-CZ 3.97Å; Y407-Y433 HydrophobicContact CE2-CD1 4.07Å; Y407-Y433 HydrophobicContact CE2-CD2 4.34Å; Y407-Y433 AromaticContact CE2-CE1 3.66Å; Y407-Y433 HydrophobicContact CE2-CE1 3.66Å; Y407-Y433 AromaticContact CE2-CE2 3.95Å; Y407-Y433 HydrophobicContact CE2-CE2 3.95Å; Y407-Y433 HydrophobicContact CE2-CG 4.37Å; Y407-Y433 AromaticContact CE2-CZ 3.57Å; Y407-T438 PolarHBondContact O-OG1 2.94Å; Y407-F462 HydrophobicContact CD2-CB 4.21Å; Y407-F462 HydrophobicContact CE1-CD1 4.37Å; Y407-F462 HydrophobicContact CE2-CD1 4.27Å; Y407-F462 HydrophobicContact CG-CB 4.16Å; Y407-F462 HydrophobicContact CG-CG 4.48Å
408	A	89.9	Confident	86.4	Confident	11 Å²	11	48.5 Å²	48.5	9%	0.091	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	144.6	177.6	0	0	0	0	0	109.9	G431 M432 V434 T438	A408-G431 WeakPolarHBondContact O-CA 3.25Å; A408-M432 PolarHBondContact N-O 3.33Å; A408-M432 PolarHBondContact O-N 2.74Å; A408-V434 HydrophobicContact CB-CG1 4.16Å; A408-V434 HydrophobicContact CB-CG2 4.1Å; A408-T438 HydrophobicContact CB-CG2 3.99Å
409	L	91.3	Very high	85.6	Confident	19 Å²	19	49.4 Å²	49.4	10%	0.099	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	128.2	175	-60.8	-176.3	0	0	0	109.6	F404 Y407 W422 F429 F440	F404-L409 HydrophobicContact CE2-CD1 4.01Å; F404-L409 HydrophobicContact CE2-CG 4.1Å; F404-L409 HydrophobicContact CZ-CD1 4.05Å; F404-L409 HydrophobicContact CZ-CG 4.26Å; Y407-L409 HydrophobicContact CD1-CD2 4.08Å; Y407-L409 HydrophobicContact CE1-CD2 3.7Å; L409-W422 HydrophobicContact CD1-CD2 4.21Å; L409-W422 HydrophobicContact CD1-CE3 4.43Å; L409-W422 HydrophobicContact CD1-CG 4.34Å; L409-W422 HydrophobicContact CD2-CB 4.47Å; L409-W422 HydrophobicContact CD2-CD2 3.99Å; L409-W422 HydrophobicContact CD2-CG 3.73Å; L409-F429 HydrophobicContact CB-CB 4.29Å; L409-F440 HydrophobicContact CB-CD2 3.87Å; L409-F440 HydrophobicContact CB-CE2 4.12Å; L409-F440 HydrophobicContact CB-CG 4.2Å; L409-F440 HydrophobicContact CD1-CB 4.35Å; L409-F440 HydrophobicContact CD1-CD1 3.72Å; L409-F440 HydrophobicContact CD1-CD2 4.32Å; L409-F440 HydrophobicContact CD1-CE1 4.02Å; L409-F440 HydrophobicContact CD1-CG 3.87Å; L409-F440 HydrophobicContact CD1-CZ 4.45Å; L409-F440 HydrophobicContact CG-CG 4.45Å
410	K	86.2	Confident	85.2	Confident	85 Å²	85	49.4 Å²	49.4	37%	0.37	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	147.9	173.4	-71.4	-164.5	179.4	179.2	0	110.6	F429 C430 M432	K410-F429 CarbonylContact O-C 3.55Å; K410-F429 WeakPolarHBondContact O-CA 3.46Å; K410-F429 WeakPolarHBondContact O-CB 3.01Å; K410-C430 PolarHBondContact N-O 3.37Å; K410-C430 PolarHBondContact O-N 3.22Å; K410-M432 HydrophobicContact CD-CE 3.43Å; K410-M432 VanDerWaalsContact CD-CE 3.43Å; K410-M432 HydrophobicContact CD-SD 4.24Å; K410-M432 VanDerWaalsContact CE-CE 3.42Å; K410-M432 HydrophobicContact CG-CE 3.86Å
411	P	87.8	Confident	85.1	Confident	94 Å²	94	53 Å²	53	61%	0.61	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.4	144.5	174.2	-24.5	33.9	0	0	0	111.6	F429	P411-F429 HydrophobicContact CG-CD1 4.32Å; P411-F429 HydrophobicContact CG-CE1 4.11Å
412	E	85.1	Confident	85.1	Confident	91 Å²	91	53 Å²	53	43%	0.425	28%	0.279	S	S	.	.			trans	-61.1	138.4	174.4	-177.3	176.4	-144.7	0	0	111.4	I428	E412-I428 HydrophobicContact CB-CB 4.14Å; E412-I428 HydrophobicContact CB-CG2 3.99Å; E412-I428 HydrophobicContact CG-CG2 4.43Å; E412-I428 PolarHBondContact N-O 3.28Å; E412-I428 WeakPolarHBondContact OE2-CB 3.27Å; E412-I428 WeakPolarHBondContact OE2-CG2 3.35Å
413	D	77	Confident	85.1	Confident	106 Å²	106	57.1 Å²	57.1	57%	0.567	30%	0.295	S	S	*	.			trans	-107.4	170.6	173.6	-172.1	20.4	0	0	0	110.3	K415 G416	D413-K415 PolarHBondContact O-N 2.74Å; D413-G416 PolarHBondContact O-N 3.45Å
414	I	73.7	Confident	85.1	Confident	170 Å²	170	54.8 Å²	54.8	87%	0.872	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-25.1	-175.6	-57.2	168	0	0	0	113
415	K	69.8	Low	84.9	Confident	157 Å²	157	57.7 Å²	57.7	68%	0.683	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-4.5	-178.5	-65	178.4	-178.2	169.1	0	114.4	D413 Y687	D413-K415 PolarHBondContact O-N 2.74Å; K415-Y687 HydrophobicContact CB-CD1 4.31Å; K415-Y687 HydrophobicContact CB-CE1 4.13Å; K415-Y687 HydrophobicContact CD-CD1 4.14Å; K415-Y687 HydrophobicContact CD-CE1 4.46Å
416	G	77.8	Confident	85	Confident	26 Å²	26	60.3 Å²	60.3	27%	0.268	31%	0.312	S	S	.	.			trans	70.4	-178.5	-176	0	0	0	0	0	114	D413	D413-G416 PolarHBondContact O-N 3.45Å
417	C	82.9	Confident	85.2	Confident	23 Å²	23	62 Å²	62	16%	0.155	32%	0.324	C	S	.	.			trans	-94.5	134.6	-176.9	-53	0	0	0	0	113.5	G420 W421 C430	C417-G420 VanDerWaalsContact CB-O 3.3Å; C417-G420 WeakPolarHBondContact CB-O 3.46Å; C417-W421 HydrophobicContact CB-CB 4.03Å; C417-C430 WeakPolarHBondContact CA-SG 3.4Å; C417-C430 HydrophobicContact CB-CB 3.71Å; C417-C430 WeakPolarHBondContact CB-SG 2.79Å; C417-C430 WeakPolarHBondContact SG-CA 2.95Å; C417-C430 WeakPolarHBondContact SG-CB 3.37Å; C417-C430 CovalentContact SG-SG 2.04Å; C417-C430 PolarHBondContact SG-SG 3.13Å
418	A	72	Confident	85.3	Confident	33 Å²	33	64.7 Å²	64.7	27%	0.273	34%	0.338	S	S	.	.	S	Bend	trans	-88.2	-33	-178.8	0	0	0	0	0	114.5	Y687	A418-Y687 HydrophobicContact CB-CD2 4.1Å; A418-Y687 HydrophobicContact CB-CE2 3.25Å
419	S	75.6	Confident	85.4	Confident	42 Å²	42	65.5 Å²	65.5	29%	0.294	34%	0.339	S	S	.	.	S	Bend	trans	-122.5	43.1	-169.9	-56.8	0	0	0	0	111.8
420	G	84.1	Confident	85.4	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.34	C	S	.	.			trans	85.8	162.3	-173.5	0	0	0	0	0	113.7	C417 R452 S454	C417-G420 VanDerWaalsContact CB-O 3.3Å; C417-G420 WeakPolarHBondContact CB-O 3.46Å; G420-R452 CarbonylContact C-O 3.6Å; G420-R452 WeakPolarHBondContact CA-O 3.07Å; G420-S454 WeakPolarHBondContact CA-OG 3.41Å; G420-S454 PolarHBondContact N-OG 2.75Å
421	W	91.5	Very high	85.5	Confident	75 Å²	75	61.6 Å²	61.6	28%	0.284	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	152.1	-178.6	59.9	-89.1	0	0	0	111.2	C417 R423 I428 F429 F451 R452	C417-W421 HydrophobicContact CB-CB 4.03Å; W421-R423 HydrophobicContact CE3-CB 4.4Å; W421-R423 HydrophobicContact CZ3-CB 3.91Å; W421-I428 HydrophobicContact CB-CG2 3.92Å; W421-I428 HydrophobicContact CE3-CG2 4.21Å; W421-F429 CarbonylContact C-O 3.58Å; W421-F429 WeakPolarHBondContact CA-O 3.38Å; W421-F451 WeakPolarHBondContact O-CD2 3.26Å; W421-R452 HydrophobicContact CD2-CB 3.98Å; W421-R452 HydrophobicContact CD2-CG 4.49Å; W421-R452 VanDerWaalsContact CE2-CB 3.46Å; W421-R452 HydrophobicContact CG-CB 4.35Å; W421-R452 HydrophobicContact CH2-CB 4.39Å; W421-R452 HydrophobicContact CH2-CG 3.88Å; W421-R452 HydrophobicContact CZ2-CB 3.7Å; W421-R452 HydrophobicContact CZ2-CG 3.5Å; W421-R452 PolarHBondContact N-O 2.71Å; W421-R452 PolarHBondContact O-N 2.04Å
422	W	93.8	Very high	85.3	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	129.5	179.1	-70	72.4	0	0	0	108.7	W389 F404 Y407 L409 I428 F429 E450 F451 F462	W389-W422 HydrophobicContact CE3-CZ3 4.13Å; W389-W422 HydrophobicContact CH2-CH2 4.05Å; W389-W422 HydrophobicContact CH2-CZ3 4.17Å; W389-W422 HydrophobicContact CZ3-CE3 4.29Å; W389-W422 AromaticContact CZ3-CH2 3.87Å; W389-W422 HydrophobicContact CZ3-CH2 3.87Å; W389-W422 AromaticContact CZ3-CZ3 3.5Å; W389-W422 HydrophobicContact CZ3-CZ3 3.5Å; F404-W422 HydrophobicContact CE1-CH2 4.23Å; F404-W422 HydrophobicContact CE1-CZ2 4.19Å; F404-W422 HydrophobicContact CZ-CH2 4.13Å; F404-W422 HydrophobicContact CZ-CZ2 4.24Å; Y407-W422 HydrophobicContact CE1-CZ2 4.2Å; Y407-W422 AromaticContact CE1-NE1 3.52Å; L409-W422 HydrophobicContact CD1-CD2 4.21Å; L409-W422 HydrophobicContact CD1-CE3 4.43Å; L409-W422 HydrophobicContact CD1-CG 4.34Å; L409-W422 HydrophobicContact CD2-CB 4.47Å; L409-W422 HydrophobicContact CD2-CD2 3.99Å; L409-W422 HydrophobicContact CD2-CG 3.73Å; W422-I428 CarbonylContact O-C 3.48Å; W422-I428 VanDerWaalsContact O-CA 3.29Å; W422-I428 WeakPolarHBondContact O-CA 3.12Å; W422-F429 HydrophobicContact CB-CB 4.22Å; W422-F429 PolarHBondContact N-O 3.03Å; W422-F429 PolarHBondContact O-N 3.37Å; W422-E450 CarbonylContact C-O 3.59Å; W422-E450 VanDerWaalsContact CA-O 3.26Å; W422-E450 WeakPolarHBondContact CA-O 3.23Å; W422-F451 AromaticContact CD1-CD2 3.52Å; W422-F451 AromaticContact CD1-CE2 3.98Å; W422-F451 HydrophobicContact CD2-CB 3.99Å; W422-F451 AromaticContact CD2-CD2 3.86Å; W422-F451 HydrophobicContact CD2-CD2 3.86Å; W422-F451 HydrophobicContact CD2-CG 4.27Å; W422-F451 AromaticContact CE2-CD2 3.41Å; W422-F451 VanDerWaalsContact CE2-CD2 3.41Å; W422-F451 AromaticContact CE2-CG 3.9Å; W422-F451 HydrophobicContact CE3-CB 4.06Å; W422-F451 AromaticContact CG-CD2 3.95Å; W422-F451 HydrophobicContact CG-CD2 3.95Å; W422-F451 HydrophobicContact CH2-CB 4.34Å; W422-F451 HydrophobicContact CZ2-CB 4.28Å; W422-F451 AromaticContact CZ2-CD2 4Å; W422-F451 HydrophobicContact CZ2-CD2 4Å; W422-F451 HydrophobicContact CZ2-CG 4.11Å; W422-F451 HydrophobicContact CZ3-CB 4.23Å; W422-F451 AromaticContact NE1-CD2 3.12Å; W422-F451 AromaticContact NE1-CE2 3.44Å; W422-F462 AromaticContact CH2-CE2 3.56Å; W422-F462 HydrophobicContact CH2-CE2 3.56Å; W422-F462 AromaticContact CH2-CZ 3.56Å; W422-F462 HydrophobicContact CH2-CZ 3.56Å; W422-F462 HydrophobicContact CZ2-CD2 4.3Å; W422-F462 AromaticContact CZ2-CE1 3.74Å; W422-F462 HydrophobicContact CZ2-CE1 3.74Å; W422-F462 AromaticContact CZ2-CE2 3.51Å; W422-F462 HydrophobicContact CZ2-CE2 3.51Å; W422-F462 AromaticContact CZ2-CZ 3.19Å; W422-F462 HydrophobicContact CZ2-CZ 3.19Å
423	R	94.6	Very high	85.4	Confident	87 Å²	87	55.5 Å²	55.5	33%	0.328	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	122.3	166	-160.5	170.9	172.3	171.5	-4	108.4	W421 E426 V427 M449 E450	W421-R423 HydrophobicContact CE3-CB 4.4Å; W421-R423 HydrophobicContact CZ3-CB 3.91Å; R423-E426 IonicContact CZ-OE1 2.84Å; R423-E426 IonicContact CZ-OE2 3.4Å; R423-E426 IonicContact NE-OE1 3.41Å; R423-E426 PolarHBondContact NE-OE1 2.03Å; R423-E426 IonicContact NE-OE2 2.78Å; R423-E426 IonicContact NH2-OE1 3.38Å; R423-E426 PolarHBondContact NH2-OE1 2.94Å; R423-E426 IonicContact NH2-OE2 3.72Å; R423-E426 PolarHBondContact NH2-OE2 2.82Å; R423-V427 CarbonylContact C-O 3.58Å; R423-V427 WeakPolarHBondContact CA-O 3.3Å; R423-M449 CarbonylContact O-C 3.58Å; R423-M449 VanDerWaalsContact O-CA 3.22Å; R423-M449 WeakPolarHBondContact O-CA 3.32Å; R423-E450 HydrophobicContact CB-CB 4.15Å; R423-E450 PolarHBondContact N-O 2.88Å; R423-E450 PolarHBondContact O-N 3.01Å
424	V	94.7	Very high	85.8	Confident	7 Å²	7	50.8 Å²	50.8	4%	0.042	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	112.1	173.1	-175	0	0	0	0	106.9	E426 V427 F429 F440 I442 M449	V424-E426 VanDerWaalsContact C-N 3.28Å; V424-E426 PolarHBondContact O-N 3.33Å; V424-V427 PolarHBondContact N-O 3.15Å; V424-V427 PolarHBondContact O-N 2.97Å; V424-F429 HydrophobicContact CB-CD2 4.14Å; V424-F429 HydrophobicContact CB-CE2 3.88Å; V424-F429 HydrophobicContact CG2-CD2 3.96Å; V424-F429 HydrophobicContact CG2-CE2 4.16Å; V424-F440 HydrophobicContact CG1-CE1 4.5Å; V424-F440 HydrophobicContact CG2-CE1 4.15Å; V424-I442 HydrophobicContact CG1-CG1 3.84Å; V424-I442 HydrophobicContact CG1-CG2 3.96Å; V424-M449 HydrophobicContact CG1-CE 4Å; V424-M449 HydrophobicContact CG1-CG 4.34Å; V424-M449 HydrophobicContact CG2-CE 4.24Å; V424-M449 HydrophobicContact CG2-CG 4.25Å
425	N	90.1	Very high	86.2	Confident	61 Å²	61	44.9 Å²	44.9	33%	0.326	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	48	47.1	179.2	-63.5	-11.6	0	0	0	113.8	V427 D444 P447 Q448	N425-V427 VanDerWaalsContact C-N 3.31Å; N425-V427 PolarHBondContact O-N 3Å; N425-D444 PolarHBondContact ND2-OD2 3.4Å; N425-P447 VanDerWaalsContact OD1-CA 3.25Å; N425-P447 WeakPolarHBondContact OD1-CA 3.48Å; N425-Q448 PolarHBondContact N-O 2.86Å; N425-Q448 VanDerWaalsContact N-O 3.11Å; N425-Q448 PolarHBondContact OD1-N 3.05Å
426	E	88.7	Confident	86.9	Confident	137 Å²	137	38.5 Å²	38.5	64%	0.64	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.2	-6.4	-177.6	-53.4	-63.3	122	0	0	117	R423 V424	R423-E426 IonicContact CZ-OE1 2.84Å; R423-E426 IonicContact CZ-OE2 3.4Å; R423-E426 IonicContact NE-OE1 3.41Å; R423-E426 PolarHBondContact NE-OE1 2.03Å; R423-E426 IonicContact NE-OE2 2.78Å; R423-E426 IonicContact NH2-OE1 3.38Å; R423-E426 PolarHBondContact NH2-OE1 2.94Å; R423-E426 IonicContact NH2-OE2 3.72Å; R423-E426 PolarHBondContact NH2-OE2 2.82Å; V424-E426 VanDerWaalsContact C-N 3.28Å; V424-E426 PolarHBondContact O-N 3.33Å
427	V	91.6	Very high	87.5	Confident	78 Å²	78	42 Å²	42	47%	0.473	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	134.9	176	-176.8	0	0	0	0	110.3	R423 V424 N425 F429	R423-V427 CarbonylContact C-O 3.58Å; R423-V427 WeakPolarHBondContact CA-O 3.3Å; V424-V427 PolarHBondContact N-O 3.15Å; V424-V427 PolarHBondContact O-N 2.97Å; N425-V427 VanDerWaalsContact C-N 3.31Å; N425-V427 PolarHBondContact O-N 3Å; V427-F429 HydrophobicContact CB-CE2 3.72Å; V427-F429 HydrophobicContact CB-CZ 4.24Å; V427-F429 HydrophobicContact CG1-CD2 4.25Å; V427-F429 HydrophobicContact CG1-CE2 3.55Å; V427-F429 HydrophobicContact CG1-CZ 3.72Å; V427-F429 WeakPolarHBondContact O-CD2 3.49Å
428	I	92.4	Very high	88	Confident	57 Å²	57	41.3 Å²	41.3	29%	0.292	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	132.3	179	-57	179.1	0	0	0	110.2	E412 W421 W422	E412-I428 HydrophobicContact CB-CB 4.14Å; E412-I428 HydrophobicContact CB-CG2 3.99Å; E412-I428 HydrophobicContact CG-CG2 4.43Å; E412-I428 PolarHBondContact N-O 3.28Å; E412-I428 WeakPolarHBondContact OE2-CB 3.27Å; E412-I428 WeakPolarHBondContact OE2-CG2 3.35Å; W421-I428 HydrophobicContact CB-CG2 3.92Å; W421-I428 HydrophobicContact CE3-CG2 4.21Å; W422-I428 CarbonylContact O-C 3.48Å; W422-I428 VanDerWaalsContact O-CA 3.29Å; W422-I428 WeakPolarHBondContact O-CA 3.12Å
429	F	93	Very high	89.1	Confident	27 Å²	27	40.2 Å²	40.2	12%	0.118	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	136.7	174.9	-61.9	-97.5	0	0	0	109.8	L409 K410 P411 W421 W422 V424 V427 F440	L409-F429 HydrophobicContact CB-CB 4.29Å; K410-F429 CarbonylContact O-C 3.55Å; K410-F429 WeakPolarHBondContact O-CA 3.46Å; K410-F429 WeakPolarHBondContact O-CB 3.01Å; P411-F429 HydrophobicContact CG-CD1 4.32Å; P411-F429 HydrophobicContact CG-CE1 4.11Å; W421-F429 CarbonylContact C-O 3.58Å; W421-F429 WeakPolarHBondContact CA-O 3.38Å; W422-F429 HydrophobicContact CB-CB 4.22Å; W422-F429 PolarHBondContact N-O 3.03Å; W422-F429 PolarHBondContact O-N 3.37Å; V424-F429 HydrophobicContact CB-CD2 4.14Å; V424-F429 HydrophobicContact CB-CE2 3.88Å; V424-F429 HydrophobicContact CG2-CD2 3.96Å; V424-F429 HydrophobicContact CG2-CE2 4.16Å; V427-F429 HydrophobicContact CB-CE2 3.72Å; V427-F429 HydrophobicContact CB-CZ 4.24Å; V427-F429 HydrophobicContact CG1-CD2 4.25Å; V427-F429 HydrophobicContact CG1-CE2 3.55Å; V427-F429 HydrophobicContact CG1-CZ 3.72Å; V427-F429 WeakPolarHBondContact O-CD2 3.49Å; F429-F440 AromaticContact CD1-CE2 3.91Å; F429-F440 HydrophobicContact CD1-CE2 3.91Å; F429-F440 AromaticContact CD1-CZ 3.98Å; F429-F440 HydrophobicContact CD1-CZ 3.98Å; F429-F440 HydrophobicContact CD2-CZ 4.29Å; F429-F440 AromaticContact CE1-CE2 3.69Å; F429-F440 HydrophobicContact CE1-CE2 3.69Å; F429-F440 AromaticContact CE1-CZ 3.68Å; F429-F440 HydrophobicContact CE1-CZ 3.68Å; F429-F440 HydrophobicContact CE2-CZ 4.01Å; F429-F440 HydrophobicContact CG-CZ 4.29Å; F429-F440 HydrophobicContact CZ-CE2 4.18Å; F429-F440 AromaticContact CZ-CZ 3.71Å; F429-F440 HydrophobicContact CZ-CZ 3.71Å
430	C	90.2	Very high	90	Very high	18 Å²	18	39.8 Å²	39.8	12%	0.122	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	134	169.7	-56.6	0	0	0	0	110.2	K410 C417	K410-C430 PolarHBondContact N-O 3.37Å; K410-C430 PolarHBondContact O-N 3.22Å; C417-C430 WeakPolarHBondContact CA-SG 3.4Å; C417-C430 HydrophobicContact CB-CB 3.71Å; C417-C430 WeakPolarHBondContact CB-SG 2.79Å; C417-C430 WeakPolarHBondContact SG-CA 2.95Å; C417-C430 WeakPolarHBondContact SG-CB 3.37Å; C417-C430 CovalentContact SG-SG 2.04Å; C417-C430 PolarHBondContact SG-SG 3.13Å
431	G	88.8	Confident	90.4	Very high	4 Å²	4	41.7 Å²	41.7	4%	0.041	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	143.6	173.3	0	0	0	0	0	112.4	Y407 A408	Y407-G431 WeakPolarHBondContact OH-CA 3.37Å; A408-G431 WeakPolarHBondContact O-CA 3.25Å
432	M	84.9	Confident	90.6	Very high	26 Å²	26	38.5 Å²	38.5	13%	0.128	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	136.3	-179.5	-53.7	-173.6	-44.3	0	0	110	Y407 A408 K410 N685 T688	Y407-M432 CarbonylContact C-O 3.51Å; Y407-M432 WeakPolarHBondContact CA-O 3.49Å; A408-M432 PolarHBondContact N-O 3.33Å; A408-M432 PolarHBondContact O-N 2.74Å; K410-M432 HydrophobicContact CD-CE 3.43Å; K410-M432 VanDerWaalsContact CD-CE 3.43Å; K410-M432 HydrophobicContact CD-SD 4.24Å; K410-M432 VanDerWaalsContact CE-CE 3.42Å; K410-M432 HydrophobicContact CG-CE 3.86Å; M432-N685 PolarHBondContact SD-ND2 3.04Å; M432-N685 VanDerWaalsContact SD-ND2 3.45Å; M432-T688 HydrophobicContact SD-CG2 4.36Å
433	Y	85.9	Confident	90.6	Very high	31 Å²	31	42.8 Å²	42.8	12%	0.122	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	137	173.1	-60.4	-84.3	0	0	0	110.4	N406 Y407 A459 Q460	N406-Y433 VanDerWaalsContact O-CA 3.31Å; N406-Y433 WeakPolarHBondContact O-CA 3.38Å; Y407-Y433 AromaticContact CD2-CD1 3.63Å; Y407-Y433 HydrophobicContact CD2-CD1 3.63Å; Y407-Y433 AromaticContact CD2-CE1 3.53Å; Y407-Y433 HydrophobicContact CD2-CE1 3.53Å; Y407-Y433 HydrophobicContact CD2-CE2 4.48Å; Y407-Y433 HydrophobicContact CD2-CG 4.15Å; Y407-Y433 AromaticContact CD2-CZ 3.97Å; Y407-Y433 HydrophobicContact CE2-CD1 4.07Å; Y407-Y433 HydrophobicContact CE2-CD2 4.34Å; Y407-Y433 AromaticContact CE2-CE1 3.66Å; Y407-Y433 HydrophobicContact CE2-CE1 3.66Å; Y407-Y433 AromaticContact CE2-CE2 3.95Å; Y407-Y433 HydrophobicContact CE2-CE2 3.95Å; Y407-Y433 HydrophobicContact CE2-CG 4.37Å; Y407-Y433 AromaticContact CE2-CZ 3.57Å; Y433-A459 HydrophobicContact CE2-CB 4.49Å; Y433-Q460 HydrophobicContact CD1-CB 4.08Å; Y433-Q460 HydrophobicContact CE1-CB 3.55Å; Y433-Q460 WeakPolarHBondContact CE1-O 3.5Å; Y433-Q460 HydrophobicContact CE2-CB 4.48Å; Y433-Q460 VanDerWaalsContact CZ-O 3.26Å; Y433-Q460 PolarHBondContact OH-O 2.78Å
434	V	86.4	Confident	90.5	Very high	8 Å²	8	40.6 Å²	40.6	5%	0.048	22%	0.221	C	C	.	.			trans	-137.2	150.1	179.5	-68.9	0	0	0	0	108.9	N406 A408 H436 T438	N406-V434 CarbonylContact C-O 3.54Å; N406-V434 VanDerWaalsContact C-O 3.29Å; N406-V434 WeakPolarHBondContact CA-O 3.06Å; N406-V434 VanDerWaalsContact CB-O 3.31Å; N406-V434 WeakPolarHBondContact CB-O 3.45Å; N406-V434 PolarHBondContact O-N 2.66Å; A408-V434 HydrophobicContact CB-CG1 4.16Å; A408-V434 HydrophobicContact CB-CG2 4.1Å; V434-H436 WeakPolarHBondContact CG2-O 3.18Å; V434-H436 PolarHBondContact O-N 3.38Å; V434-H436 VanDerWaalsContact O-N 3.16Å; V434-T438 HydrophobicContact CG2-CG2 3.96Å
435	G	82.1	Confident	90.4	Very high	46 Å²	46	44.2 Å²	44.2	47%	0.474	24%	0.238	S	C	.	.	S	Bend	trans	-80.7	21	179.6	0	0	0	0	0	115.1	Y691	G435-Y691 WeakPolarHBondContact CA-OH 3.37Å; G435-Y691 PolarHBondContact N-OH 3.08Å
436	H	84.3	Confident	90.5	Very high	23 Å²	23	43.8 Å²	43.8	11%	0.106	24%	0.239	C	C	.	.	S	Bend	trans	-151	162	-176	58.8	-87.3	0	0	0	112.1	E405 V434 Q501	E405-H436 CarbonylContact O-C 3.53Å; E405-H436 VanDerWaalsContact O-O 3.07Å; V434-H436 WeakPolarHBondContact CG2-O 3.18Å; V434-H436 PolarHBondContact O-N 3.38Å; V434-H436 VanDerWaalsContact O-N 3.16Å; H436-Q501 HydrophobicContact CB-CB 3.85Å; H436-Q501 HydrophobicContact CB-CG 3.94Å
437	H	90.1	Very high	90.8	Very high	98 Å²	98	37.2 Å²	37.2	45%	0.454	21%	0.209	S	C	.	.			trans	-70.8	143.6	-179.6	-63	-177.8	0	0	0	111.4	F404 E405	F404-H437 VanDerWaalsContact O-CA 3.29Å; F404-H437 WeakPolarHBondContact O-CA 3.45Å; E405-H437 WeakPolarHBondContact O-CA 3.45Å; E405-H437 PolarHBondContact O-CD2 3.19Å; E405-H437 PolarHBondContact O-N 2.74Å
438	T	93.5	Very high	90.9	Very high	9 Å²	9	38.2 Å²	38.2	6%	0.055	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	159.2	172.9	77.2	0	0	0	0	111.5	Q403 F404 Y407 A408 V434	Q403-T438 CarbonylContact C-O 3.57Å; Q403-T438 WeakPolarHBondContact CA-O 3.03Å; F404-T438 PolarHBondContact N-O 3Å; F404-T438 PolarHBondContact O-N 2.92Å; Y407-T438 PolarHBondContact O-OG1 2.94Å; A408-T438 HydrophobicContact CB-CG2 3.99Å; V434-T438 HydrophobicContact CG2-CG2 3.96Å
439	V	94.4	Very high	91	Very high	11 Å²	11	35.5 Å²	35.5	7%	0.067	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	111.4	177.7	-177.1	0	0	0	0	109.9	A401 L402 Q403 R441 T484 G485 L486	A401-V439 HydrophobicContact CB-CG1 4.11Å; L402-V439 CarbonylContact O-C 3.47Å; L402-V439 WeakPolarHBondContact O-CA 3.39Å; Q403-V439 HydrophobicContact CB-CG2 4.16Å; Q403-V439 HydrophobicContact CG-CG2 4.03Å; V439-R441 HydrophobicContact CG1-CG 4.23Å; V439-T484 PolarHBondContact N-O 2.93Å; V439-G485 WeakPolarHBondContact CB-O 3.17Å; V439-G485 WeakPolarHBondContact O-CA 3.35Å; V439-L486 HydrophobicContact CG2-CD2 3.95Å
440	F	95.2	Very high	91.1	Very high	33 Å²	33	35.8 Å²	35.8	15%	0.145	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	118.1	174.5	-175.2	-106.2	0	0	0	110.4	A401 L402 F404 L409 V424 F429 I442	A401-F440 WeakPolarHBondContact CA-O 3.06Å; L402-F440 PolarHBondContact N-O 3.31Å; L402-F440 PolarHBondContact O-N 3.39Å; F404-F440 HydrophobicContact CE2-CB 4.14Å; L409-F440 HydrophobicContact CB-CD2 3.87Å; L409-F440 HydrophobicContact CB-CE2 4.12Å; L409-F440 HydrophobicContact CB-CG 4.2Å; L409-F440 HydrophobicContact CD1-CB 4.35Å; L409-F440 HydrophobicContact CD1-CD1 3.72Å; L409-F440 HydrophobicContact CD1-CD2 4.32Å; L409-F440 HydrophobicContact CD1-CE1 4.02Å; L409-F440 HydrophobicContact CD1-CG 3.87Å; L409-F440 HydrophobicContact CD1-CZ 4.45Å; L409-F440 HydrophobicContact CG-CG 4.45Å; V424-F440 HydrophobicContact CG1-CE1 4.5Å; V424-F440 HydrophobicContact CG2-CE1 4.15Å; F429-F440 AromaticContact CD1-CE2 3.91Å; F429-F440 HydrophobicContact CD1-CE2 3.91Å; F429-F440 AromaticContact CD1-CZ 3.98Å; F429-F440 HydrophobicContact CD1-CZ 3.98Å; F429-F440 HydrophobicContact CD2-CZ 4.29Å; F429-F440 AromaticContact CE1-CE2 3.69Å; F429-F440 HydrophobicContact CE1-CE2 3.69Å; F429-F440 AromaticContact CE1-CZ 3.68Å; F429-F440 HydrophobicContact CE1-CZ 3.68Å; F429-F440 HydrophobicContact CE2-CZ 4.01Å; F429-F440 HydrophobicContact CG-CZ 4.29Å; F429-F440 HydrophobicContact CZ-CE2 4.18Å; F429-F440 AromaticContact CZ-CZ 3.71Å; F429-F440 HydrophobicContact CZ-CZ 3.71Å; F440-I442 HydrophobicContact CD1-CD1 3.66Å; F440-I442 HydrophobicContact CD1-CG1 3.98Å; F440-I442 HydrophobicContact CE1-CD1 3.81Å; F440-I442 HydrophobicContact CE1-CG1 3.6Å
441	R	93.1	Very high	91.2	Very high	40 Å²	40	35 Å²	35	15%	0.151	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	128.9	-177.7	-76.7	-173.9	-170.5	71.5	-1.1	111.6	A401 V439 Y469 P474 G485 C487	A401-R441 HydrophobicContact CB-CG 4.06Å; V439-R441 HydrophobicContact CG1-CG 4.23Å; R441-Y469 HydrophobicContact CB-CE1 3.82Å; R441-Y469 HydrophobicContact CB-CE2 4.47Å; R441-Y469 HydrophobicContact CG-CD1 4.23Å; R441-Y469 HydrophobicContact CG-CE1 3.87Å; R441-Y469 HydrophobicContact CG-CE2 4.37Å; R441-P474 PolarHBondContact NE-O 3.24Å; R441-G485 VanDerWaalsContact CZ-O 3.24Å; R441-G485 PolarHBondContact NH1-O 2.82Å; R441-G485 PolarHBondContact NH2-O 2.9Å; R441-C487 PolarHBondContact NH2-SG 2.8Å
442	I	94.5	Very high	91.4	Very high	7 Å²	7	39.7 Å²	39.7	4%	0.036	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	112.5	176.1	-51.8	90.5	0	0	0	108.3	G399 V400 L402 V424 F440 D444 P447 M449	G399-I442 VanDerWaalsContact CA-O 3.29Å; G399-I442 WeakPolarHBondContact CA-O 3.36Å; V400-I442 PolarHBondContact N-O 2.03Å; V400-I442 VanDerWaalsContact O-CD1 3.31Å; V400-I442 WeakPolarHBondContact O-CD1 3.07Å; V400-I442 PolarHBondContact O-N 2.94Å; L402-I442 HydrophobicContact CG-CD1 4.31Å; V424-I442 HydrophobicContact CG1-CG1 3.84Å; V424-I442 HydrophobicContact CG1-CG2 3.96Å; F440-I442 HydrophobicContact CD1-CD1 3.66Å; F440-I442 HydrophobicContact CD1-CG1 3.98Å; F440-I442 HydrophobicContact CE1-CD1 3.81Å; F440-I442 HydrophobicContact CE1-CG1 3.6Å; I442-D444 HydrophobicContact CG2-CB 4.06Å; I442-D444 PolarHBondContact O-N 3.46Å; I442-P447 HydrophobicContact CB-CB 4.49Å; I442-P447 HydrophobicContact CG2-CB 3.79Å; I442-P447 HydrophobicContact CG2-CG 4.26Å; I442-M449 HydrophobicContact CD1-CE 3.11Å; I442-M449 HydrophobicContact CG1-CE 3.53Å
443	P	93.3	Very high	91.7	Very high	90 Å²	90	39.2 Å²	39.2	58%	0.584	21%	0.206	S	C	*	.			trans	-79.5	55.4	179.8	34.7	-36.3	0	0	0	111.2	Y469 I471	P443-Y469 WeakPolarHBondContact CA-OH 3.2Å; P443-I471 HydrophobicContact CB-CD1 4.45Å; P443-I471 HydrophobicContact CB-CG1 4.4Å; P443-I471 HydrophobicContact CB-CG2 3.77Å
444	D	93.3	Very high	91.7	Very high	41 Å²	41	40 Å²	40	22%	0.219	22%	0.216	C	C	.	.			trans	-140.9	140.9	177.7	-170.1	-5.7	0	0	0	110.3	G399 N425 I442 S446 P447	G399-D444 WeakPolarHBondContact CA-O 3.3Å; N425-D444 PolarHBondContact ND2-OD2 3.4Å; I442-D444 HydrophobicContact CG2-CB 4.06Å; I442-D444 PolarHBondContact O-N 3.46Å; D444-S446 PolarHBondContact OD1-N 3.36Å; D444-P447 HydrophobicContact CB-CB 4.3Å; D444-P447 WeakPolarHBondContact O-CD 3.47Å
445	H	92.2	Very high	91.6	Very high	84 Å²	84	40.5 Å²	40.5	39%	0.389	22%	0.22	S	C	.	.	S	Bend	trans	-76.1	-20	176.8	76	-58.1	0	0	0	114.3	K392 T393 L398	K392-H445 WeakPolarHBondContact CA-O 3.28Å; T393-H445 PolarHBondContact N-O 3.07Å; T393-H445 VanDerWaalsContact OG1-CA 3.29Å; T393-H445 WeakPolarHBondContact OG1-CA 3.3Å; T393-H445 WeakPolarHBondContact OG1-CB 3.26Å; T393-H445 PolarHBondContact OG1-O 3.13Å; L398-H445 WeakPolarHBondContact O-CA 3.39Å
446	S	93.4	Very high	91.6	Very high	51 Å²	51	43.1 Å²	43.1	36%	0.357	23%	0.228	S	C	.	.	S	Bend	trans	-141.7	56.7	179	58.6	0	0	0	0	114.3	F391 D444	F391-S446 CarbonylContact O-C 3.58Å; F391-S446 WeakPolarHBondContact O-CA 3.35Å; D444-S446 PolarHBondContact OD1-N 3.36Å
447	P	94.7	Very high	91.8	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.239	C	C	.	.			trans	-70	138.5	-172.8	28.1	-32.3	0	0	0	111.9	F391 V400 N425 I442 D444	F391-P447 HydrophobicContact CB-CG 3.95Å; F391-P447 HydrophobicContact CD2-CG 4.45Å; F391-P447 PolarHBondContact N-O 3.31Å; V400-P447 HydrophobicContact CB-CG 4.11Å; V400-P447 HydrophobicContact CG2-CG 3.75Å; N425-P447 VanDerWaalsContact OD1-CA 3.25Å; N425-P447 WeakPolarHBondContact OD1-CA 3.48Å; I442-P447 HydrophobicContact CB-CB 4.49Å; I442-P447 HydrophobicContact CG2-CB 3.79Å; I442-P447 HydrophobicContact CG2-CG 4.26Å; D444-P447 HydrophobicContact CB-CB 4.3Å; D444-P447 WeakPolarHBondContact O-CD 3.47Å
448	Q	94.1	Very high	91.9	Very high	98 Å²	98	41 Å²	41	46%	0.458	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	128	169.7	-179	168.8	-25.4	0	0	109.6	N425	N425-Q448 PolarHBondContact N-O 2.86Å; N425-Q448 VanDerWaalsContact N-O 3.11Å; N425-Q448 PolarHBondContact OD1-N 3.05Å
449	M	94.5	Very high	91.6	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	137	-177.1	-64	-178.8	159.5	0	0	111.2	S388 W389 F391 L402 R423 V424 I442	S388-M449 CarbonylContact C-O 3.44Å; S388-M449 WeakPolarHBondContact CA-O 3.41Å; W389-M449 HydrophobicContact CB-CB 4.42Å; W389-M449 HydrophobicContact CE3-CB 4.25Å; W389-M449 PolarHBondContact N-O 2.01Å; W389-M449 PolarHBondContact O-N 2.89Å; F391-M449 HydrophobicContact CD2-SD 4.05Å; F391-M449 HydrophobicContact CE2-SD 3.58Å; F391-M449 VanDerWaalsContact CE2-SD 3.58Å; L402-M449 HydrophobicContact CD1-CE 3.69Å; L402-M449 HydrophobicContact CD1-SD 3.81Å; L402-M449 HydrophobicContact CG-CE 4.34Å; R423-M449 CarbonylContact O-C 3.58Å; R423-M449 VanDerWaalsContact O-CA 3.22Å; R423-M449 WeakPolarHBondContact O-CA 3.32Å; V424-M449 HydrophobicContact CG1-CE 4Å; V424-M449 HydrophobicContact CG1-CG 4.34Å; V424-M449 HydrophobicContact CG2-CE 4.24Å; V424-M449 HydrophobicContact CG2-CG 4.25Å; I442-M449 HydrophobicContact CD1-CE 3.11Å; I442-M449 HydrophobicContact CG1-CE 3.53Å
450	E	93.7	Very high	91.3	Very high	32 Å²	32	45.6 Å²	45.6	15%	0.15	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	126.3	170.2	-176.9	-178.8	-173.7	0	0	108.9	C387 W422 R423 R452	C387-E450 CarbonylContact O-C 3.55Å; C387-E450 WeakPolarHBondContact O-CA 3.16Å; W422-E450 CarbonylContact C-O 3.59Å; W422-E450 VanDerWaalsContact CA-O 3.26Å; W422-E450 WeakPolarHBondContact CA-O 3.23Å; R423-E450 HydrophobicContact CB-CB 4.15Å; R423-E450 PolarHBondContact N-O 2.88Å; R423-E450 PolarHBondContact O-N 3.01Å; E450-R452 HydrophobicContact CG-CG 4.26Å; E450-R452 IonicContact OE1-CZ 3.26Å; E450-R452 VanDerWaalsContact OE1-CZ 3.26Å; E450-R452 IonicContact OE1-NE 3.56Å; E450-R452 PolarHBondContact OE1-NE 2.87Å; E450-R452 IonicContact OE1-NH2 3.31Å; E450-R452 PolarHBondContact OE1-NH2 2.79Å
451	F	93.4	Very high	91.1	Very high	2 Å²	2	45 Å²	45	1%	0.009	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	132.6	170.6	171.6	-116.6	0	0	0	109.8	P375 L381 S386 C387 W389 W421 W422 C453 F462	P375-F451 HydrophobicContact CG-CD1 4.37Å; L381-F451 HydrophobicContact CD1-CE1 4.11Å; L381-F451 HydrophobicContact CD1-CZ 4.14Å; L381-F451 HydrophobicContact CD2-CE1 4.48Å; S386-F451 CarbonylContact C-O 3.44Å; S386-F451 VanDerWaalsContact CA-O 3.28Å; S386-F451 WeakPolarHBondContact CA-O 3.29Å; C387-F451 PolarHBondContact N-O 3.3Å; C387-F451 PolarHBondContact O-N 3.14Å; W389-F451 HydrophobicContact CH2-CB 4Å; W389-F451 HydrophobicContact CZ3-CB 3.63Å; W421-F451 WeakPolarHBondContact O-CD2 3.26Å; W422-F451 AromaticContact CD1-CD2 3.52Å; W422-F451 AromaticContact CD1-CE2 3.98Å; W422-F451 HydrophobicContact CD2-CB 3.99Å; W422-F451 AromaticContact CD2-CD2 3.86Å; W422-F451 HydrophobicContact CD2-CD2 3.86Å; W422-F451 HydrophobicContact CD2-CG 4.27Å; W422-F451 AromaticContact CE2-CD2 3.41Å; W422-F451 VanDerWaalsContact CE2-CD2 3.41Å; W422-F451 AromaticContact CE2-CG 3.9Å; W422-F451 HydrophobicContact CE3-CB 4.06Å; W422-F451 AromaticContact CG-CD2 3.95Å; W422-F451 HydrophobicContact CG-CD2 3.95Å; W422-F451 HydrophobicContact CH2-CB 4.34Å; W422-F451 HydrophobicContact CZ2-CB 4.28Å; W422-F451 AromaticContact CZ2-CD2 4Å; W422-F451 HydrophobicContact CZ2-CD2 4Å; W422-F451 HydrophobicContact CZ2-CG 4.11Å; W422-F451 HydrophobicContact CZ3-CB 4.23Å; W422-F451 AromaticContact NE1-CD2 3.12Å; W422-F451 AromaticContact NE1-CE2 3.44Å; F451-C453 WeakPolarHBondContact CE1-SG 3.19Å; F451-F462 AromaticContact CD1-CE1 3.93Å; F451-F462 HydrophobicContact CD1-CE1 3.93Å; F451-F462 AromaticContact CD1-CZ 3.87Å; F451-F462 HydrophobicContact CD1-CZ 3.87Å; F451-F462 HydrophobicContact CD2-CE1 4.5Å; F451-F462 AromaticContact CE1-CE1 3.55Å; F451-F462 HydrophobicContact CE1-CE1 3.55Å; F451-F462 AromaticContact CE1-CZ 3.99Å; F451-F462 HydrophobicContact CE1-CZ 3.99Å; F451-F462 HydrophobicContact CE2-CE1 4.17Å; F451-F462 HydrophobicContact CG-CE1 4.38Å; F451-F462 HydrophobicContact CG-CZ 4.22Å; F451-F462 AromaticContact CZ-CE1 3.68Å; F451-F462 HydrophobicContact CZ-CE1 3.68Å; F451-F462 HydrophobicContact CZ-CZ 4.42Å
452	R	92.2	Very high	91	Very high	103 Å²	103	43.2 Å²	43.2	39%	0.389	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	129.4	177.3	-73.5	-80.7	-173.3	177.7	-7.1	110.5	C385 S386 G420 W421 E450	C385-R452 WeakPolarHBondContact O-CA 3.19Å; S386-R452 VanDerWaalsContact CB-CZ 3.43Å; S386-R452 PolarHBondContact OG-NE 2.76Å; S386-R452 PolarHBondContact OG-NH2 2.91Å; G420-R452 CarbonylContact C-O 3.6Å; G420-R452 WeakPolarHBondContact CA-O 3.07Å; W421-R452 HydrophobicContact CD2-CB 3.98Å; W421-R452 HydrophobicContact CD2-CG 4.49Å; W421-R452 VanDerWaalsContact CE2-CB 3.46Å; W421-R452 HydrophobicContact CG-CB 4.35Å; W421-R452 HydrophobicContact CH2-CB 4.39Å; W421-R452 HydrophobicContact CH2-CG 3.88Å; W421-R452 HydrophobicContact CZ2-CB 3.7Å; W421-R452 HydrophobicContact CZ2-CG 3.5Å; W421-R452 PolarHBondContact N-O 2.71Å; W421-R452 PolarHBondContact O-N 2.04Å; E450-R452 HydrophobicContact CG-CG 4.26Å; E450-R452 IonicContact OE1-CZ 3.26Å; E450-R452 VanDerWaalsContact OE1-CZ 3.26Å; E450-R452 IonicContact OE1-NE 3.56Å; E450-R452 PolarHBondContact OE1-NE 2.87Å; E450-R452 IonicContact OE1-NH2 3.31Å; E450-R452 PolarHBondContact OE1-NH2 2.79Å
453	C	90.6	Very high	90.9	Very high	15 Å²	15	44.2 Å²	44.2	10%	0.101	24%	0.242	C	C	.	.			trans	-80.8	136	177	-43	0	0	0	0	109.6	P382 P383 C385 F451	P382-C453 WeakPolarHBondContact O-CB 3.32Å; P383-C453 CarbonylContact O-C 3.56Å; P383-C453 VanDerWaalsContact O-C 3.28Å; P383-C453 VanDerWaalsContact O-O 3.09Å; C385-C453 HydrophobicContact CB-CB 4.1Å; C385-C453 WeakPolarHBondContact CB-SG 3.22Å; C385-C453 PolarHBondContact O-N 3.01Å; C385-C453 WeakPolarHBondContact SG-CB 3.4Å; C385-C453 CovalentContact SG-SG 2.01Å; C385-C453 PolarHBondContact SG-SG 2.76Å; F451-C453 WeakPolarHBondContact CE1-SG 3.19Å
454	S	85.9	Confident	90.9	Very high	48 Å²	48	40 Å²	40	34%	0.336	22%	0.215	S	C	.	.			trans	-143.4	16.2	-179.6	70.5	0	0	0	0	113.5	G420	G420-S454 WeakPolarHBondContact CA-OG 3.41Å; G420-S454 PolarHBondContact N-OG 2.75Å
455	S	85.1	Confident	91	Very high	19 Å²	19	38.6 Å²	38.6	13%	0.133	21%	0.208	C	C	.	.			trans	-73.8	141.5	179.7	175	0	0	0	0	110.4	P383 N457	P383-S455 VanDerWaalsContact CA-O 3.28Å; P383-S455 WeakPolarHBondContact CA-O 3.4Å; P383-S455 VanDerWaalsContact CB-O 3.27Å; P383-S455 WeakPolarHBondContact CB-O 3.44Å; S455-N457 VanDerWaalsContact C-N 3.27Å; S455-N457 VanDerWaalsContact CB-O 3.23Å; S455-N457 WeakPolarHBondContact CB-O 3.48Å; S455-N457 PolarHBondContact O-N 2.85Å; S455-N457 PolarHBondContact OG-O 2.95Å
456	P	83.1	Confident	91	Very high	100 Å²	100	36 Å²	36	65%	0.649	20%	0.196	S	C	*	.	S	Bend	trans	-63.1	-34.1	177.1	24.6	-33.7	0	0	0	112.8
457	N	88.5	Confident	90.9	Very high	62 Å²	62	35.3 Å²	35.3	33%	0.332	19%	0.185	S	C	.	.	S	Bend	trans	-117.9	171.6	178	-59.2	-23.4	0	0	0	109.9	I310 S455 A459	I310-N457 PolarHBondContact O-OD1 3.21Å; S455-N457 VanDerWaalsContact C-N 3.27Å; S455-N457 VanDerWaalsContact CB-O 3.23Å; S455-N457 WeakPolarHBondContact CB-O 3.48Å; S455-N457 PolarHBondContact O-N 2.85Å; S455-N457 PolarHBondContact OG-O 2.95Å; N457-A459 PolarHBondContact O-N 3.4Å
458	S	90.8	Very high	90.8	Very high	15 Å²	15	35.6 Å²	35.6	11%	0.105	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-61.1	131.3	175.1	-61.8	0	0	0	0	111.9	L311 L381	L311-S458 VanDerWaalsContact O-CB 3.3Å; L311-S458 WeakPolarHBondContact O-CB 3.44Å; L311-S458 PolarHBondContact O-N 2.76Å; L311-S458 PolarHBondContact O-OG 3.33Å; L381-S458 CarbonylContact O-C 3.55Å; L381-S458 WeakPolarHBondContact O-CA 3.19Å; L381-S458 WeakPolarHBondContact O-CB 3.39Å
459	A	88.4	Confident	90.6	Very high	14 Å²	14	32 Å²	32	12%	0.116	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-102.6	161.9	-178.3	0	0	0	0	0	111.8	L380 L381 Y433 N457	L380-A459 CarbonylContact C-O 3.58Å; L380-A459 VanDerWaalsContact CA-O 3.3Å; L380-A459 WeakPolarHBondContact CA-O 3.48Å; L381-A459 HydrophobicContact CB-CB 4.28Å; L381-A459 PolarHBondContact N-O 3.12Å; L381-A459 PolarHBondContact O-N 3.31Å; Y433-A459 HydrophobicContact CE2-CB 4.49Å; N457-A459 PolarHBondContact O-N 3.4Å
460	Q	88.2	Confident	90.4	Very high	102 Å²	102	35 Å²	35	48%	0.477	19%	0.186	S	C	.	.	P	Polyproline II helix	trans	-65.1	144.6	179.2	-67.5	-66.9	-23.9	0	0	111.3	L381 Y433	L381-Q460 WeakPolarHBondContact CD1-O 3.46Å; Y433-Q460 HydrophobicContact CD1-CB 4.08Å; Y433-Q460 HydrophobicContact CE1-CB 3.55Å; Y433-Q460 WeakPolarHBondContact CE1-O 3.5Å; Y433-Q460 HydrophobicContact CE2-CB 4.48Å; Y433-Q460 VanDerWaalsContact CZ-O 3.26Å; Y433-Q460 PolarHBondContact OH-O 2.78Å
461	P	90.5	Very high	90.3	Very high	22 Å²	22	36.1 Å²	36.1	14%	0.143	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-65.4	159.8	170.6	29.2	-36	0	0	0	110.9	S374 Y377	S374-P461 WeakPolarHBondContact OG-CA 3.38Å; S374-P461 WeakPolarHBondContact OG-CB 3.16Å; Y377-P461 HydrophobicContact CD2-CB 3.79Å; Y377-P461 HydrophobicContact CE2-CB 4.16Å
462	F	90.6	Very high	90.2	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.009	23%	0.229	C	C	.	.			trans	-129.2	156.4	168.6	65.3	-101.4	0	0	0	110.4	S374 L381 W389 F404 Y407 W422 F451	S374-F462 VanDerWaalsContact CB-CE1 3.46Å; S374-F462 WeakPolarHBondContact CB-O 3.23Å; S374-F462 PolarHBondContact N-O 3.29Å; S374-F462 PolarHBondContact OG-N 2.85Å; S374-F462 PolarHBondContact OG-O 3.34Å; L381-F462 HydrophobicContact CD1-CD1 4.24Å; L381-F462 HydrophobicContact CD1-CE1 4.23Å; W389-F462 HydrophobicContact CH2-CZ 4.43Å; F404-F462 HydrophobicContact CD1-CD2 4.41Å; F404-F462 HydrophobicContact CE1-CD2 4.01Å; F404-F462 HydrophobicContact CE1-CE2 4.39Å; Y407-F462 HydrophobicContact CD2-CB 4.21Å; Y407-F462 HydrophobicContact CE1-CD1 4.37Å; Y407-F462 HydrophobicContact CE2-CD1 4.27Å; Y407-F462 HydrophobicContact CG-CB 4.16Å; Y407-F462 HydrophobicContact CG-CG 4.48Å; W422-F462 AromaticContact CH2-CE2 3.56Å; W422-F462 HydrophobicContact CH2-CE2 3.56Å; W422-F462 AromaticContact CH2-CZ 3.56Å; W422-F462 HydrophobicContact CH2-CZ 3.56Å; W422-F462 HydrophobicContact CZ2-CD2 4.3Å; W422-F462 AromaticContact CZ2-CE1 3.74Å; W422-F462 HydrophobicContact CZ2-CE1 3.74Å; W422-F462 AromaticContact CZ2-CE2 3.51Å; W422-F462 HydrophobicContact CZ2-CE2 3.51Å; W422-F462 AromaticContact CZ2-CZ 3.19Å; W422-F462 HydrophobicContact CZ2-CZ 3.19Å; F451-F462 AromaticContact CD1-CE1 3.93Å; F451-F462 HydrophobicContact CD1-CE1 3.93Å; F451-F462 AromaticContact CD1-CZ 3.87Å; F451-F462 HydrophobicContact CD1-CZ 3.87Å; F451-F462 HydrophobicContact CD2-CE1 4.5Å; F451-F462 AromaticContact CE1-CE1 3.55Å; F451-F462 HydrophobicContact CE1-CE1 3.55Å; F451-F462 AromaticContact CE1-CZ 3.99Å; F451-F462 HydrophobicContact CE1-CZ 3.99Å; F451-F462 HydrophobicContact CE2-CE1 4.17Å; F451-F462 HydrophobicContact CG-CE1 4.38Å; F451-F462 HydrophobicContact CG-CZ 4.22Å; F451-F462 AromaticContact CZ-CE1 3.68Å; F451-F462 HydrophobicContact CZ-CE1 3.68Å; F451-F462 HydrophobicContact CZ-CZ 4.42Å
463	Q	92.6	Very high	90	Very high	28 Å²	28	40.5 Å²	40.5	13%	0.131	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	149.4	167	63.1	177.2	-22.1	0	0	109.8	Y373 Y377 E405	Y373-Q463 HydrophobicContact CD1-CB 3.84Å; Y373-Q463 HydrophobicContact CE1-CB 4.11Å; Y377-Q463 HydrophobicContact CE2-CB 4.26Å; E405-Q463 HydrophobicContact CG-CG 4.43Å; E405-Q463 PolarHBondContact OE1-NE2 2.87Å; E405-Q463 VanDerWaalsContact OE1-NE2 3.11Å; E405-Q463 PolarHBondContact OE2-NE2 2.76Å
464	A	93.8	Very high	89.9	Confident	1 Å²	1	42 Å²	42	1%	0.008	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	135	175.1	0	0	0	0	0	111.3	R371 I372 Q403 F404	R371-A464 CarbonylContact C-O 3.59Å; R371-A464 VanDerWaalsContact CA-O 3.28Å; R371-A464 WeakPolarHBondContact CA-O 3.28Å; I372-A464 HydrophobicContact CD1-CB 4.25Å; I372-A464 HydrophobicContact CG1-CB 3.82Å; I372-A464 PolarHBondContact N-O 2.77Å; I372-A464 PolarHBondContact O-N 2.79Å; Q403-A464 CarbonylContact O-C 3.53Å; Q403-A464 WeakPolarHBondContact O-CA 3.4Å; F404-A464 HydrophobicContact CD1-CB 3.58Å; F404-A464 HydrophobicContact CE1-CB 3.61Å; F404-A464 HydrophobicContact CG-CB 4.07Å; F404-A464 HydrophobicContact CZ-CB 4.11Å
465	S	94	Very high	90.2	Very high	12 Å²	12	40.5 Å²	40.5	8%	0.084	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	140.1	168.1	-62.7	0	0	0	0	109.3	G370 L402 Q403	G370-S465 CarbonylContact O-C 3.43Å; G370-S465 WeakPolarHBondContact O-CA 3.37Å; L402-S465 CarbonylContact C-O 3.1Å; Q403-S465 PolarHBondContact N-O 3.44Å; Q403-S465 PolarHBondContact O-N 2.86Å
466	Y	93.3	Very high	90.3	Very high	30 Å²	30	45.8 Å²	45.8	12%	0.118	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	147.7	178.2	68.6	-95.8	0	0	0	112.1	I360 T362 S369 G370 I372 F391 A401	I360-Y466 HydrophobicContact CD1-CE1 4.23Å; I360-Y466 HydrophobicContact CG2-CD2 4.25Å; I360-Y466 HydrophobicContact CG2-CE1 4.16Å; I360-Y466 HydrophobicContact CG2-CE2 3.43Å; I360-Y466 VanDerWaalsContact CG2-CE2 3.43Å; I360-Y466 WeakPolarHBondContact CG2-OH 3.44Å; T362-Y466 HydrophobicContact CG2-CD2 4.06Å; T362-Y466 HydrophobicContact CG2-CE2 4.25Å; S369-Y466 WeakPolarHBondContact CB-O 3.47Å; S369-Y466 PolarHBondContact N-O 3.17Å; G370-Y466 VanDerWaalsContact C-CD1 3.47Å; G370-Y466 PolarHBondContact N-O 2.77Å; G370-Y466 WeakPolarHBondContact O-CD1 3.42Å; G370-Y466 PolarHBondContact O-N 2.97Å; I372-Y466 HydrophobicContact CG2-CD1 3.97Å; I372-Y466 HydrophobicContact CG2-CE1 4.19Å; F391-Y466 HydrophobicContact CD1-CD2 4.43Å; F391-Y466 HydrophobicContact CE1-CD1 4.12Å; F391-Y466 AromaticContact CE1-CD2 3.92Å; F391-Y466 HydrophobicContact CE1-CD2 3.92Å; F391-Y466 HydrophobicContact CE1-CE2 4.42Å; F391-Y466 AromaticContact CE1-CG 3.77Å; F391-Y466 HydrophobicContact CE1-CG 3.77Å; A401-Y466 VanDerWaalsContact O-CA 3.26Å; A401-Y466 WeakPolarHBondContact O-CA 3.32Å
467	Y	91.7	Very high	90.5	Very high	36 Å²	36	49 Å²	49	14%	0.141	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	165.1	175.1	57.2	-87.2	0	0	0	110.6	A401 Q403	A401-Y467 HydrophobicContact CB-CD1 4.32Å; A401-Y467 HydrophobicContact CB-CD2 3.96Å; A401-Y467 HydrophobicContact CB-CE1 3.93Å; A401-Y467 HydrophobicContact CB-CE2 3.51Å; A401-Y467 HydrophobicContact CB-CG 4.34Å; A401-Y467 VanDerWaalsContact CB-CZ 3.49Å; A401-Y467 PolarHBondContact N-O 2.94Å; A401-Y467 PolarHBondContact O-N 2.83Å; A401-Y467 VanDerWaalsContact O-N 3.13Å; Q403-Y467 HydrophobicContact CB-CE1 4.28Å
468	S	91.7	Very high	90.5	Very high	5 Å²	5	48 Å²	48	4%	0.035	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	146.6	174.7	74.8	0	0	0	0	110.8	K363 G399	K363-S468 PolarHBondContact O-OG 3.35Å; G399-S468 VanDerWaalsContact O-CA 3.3Å; G399-S468 WeakPolarHBondContact O-CA 3.21Å
469	Y	90.4	Very high	90.7	Very high	22 Å²	22	50 Å²	50	9%	0.086	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	155.6	178.8	80.4	-82.7	0	0	0	111.1	L398 G399 V400 A401 R441 P443 I471 P474	L398-Y469 CarbonylContact C-O 3.56Å; L398-Y469 VanDerWaalsContact CA-O 3.25Å; L398-Y469 WeakPolarHBondContact CA-O 3.47Å; G399-Y469 PolarHBondContact N-O 3.38Å; G399-Y469 PolarHBondContact O-N 2.8Å; V400-Y469 WeakPolarHBondContact O-CE1 3.06Å; A401-Y469 HydrophobicContact CB-CD1 3.9Å; R441-Y469 HydrophobicContact CB-CE1 3.82Å; R441-Y469 HydrophobicContact CB-CE2 4.47Å; R441-Y469 HydrophobicContact CG-CD1 4.23Å; R441-Y469 HydrophobicContact CG-CE1 3.87Å; R441-Y469 HydrophobicContact CG-CE2 4.37Å; P443-Y469 WeakPolarHBondContact CA-OH 3.2Å; Y469-I471 PolarHBondContact O-N 2.04Å; Y469-P474 HydrophobicContact CD2-CB 4.31Å; Y469-P474 HydrophobicContact CE2-CB 4.22Å; Y469-P474 HydrophobicContact CE2-CG 4.39Å
470	N	90.7	Very high	90.8	Very high	65 Å²	65	52.2 Å²	52.2	35%	0.348	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	119	176.1	-174.5	-17.9	0	0	0	110.6	L398 S472 Q473	L398-N470 HydrophobicContact CD2-CB 4.47Å; N470-S472 PolarHBondContact O-N 3.08Å; N470-S472 PolarHBondContact OD1-N 3.39Å; N470-Q473 HydrophobicContact CB-CB 4.44Å; N470-Q473 CarbonylContact O-C 3.56Å; N470-Q473 PolarHBondContact O-N 3.32Å; N470-Q473 VanDerWaalsContact O-O 3.11Å
471	I	90.9	Very high	91	Very high	55 Å²	55	51 Å²	51	28%	0.282	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-36.6	-176.9	-61.3	171.4	0	0	0	111.5	K397 P443 Y469 Q473	K397-I471 WeakPolarHBondContact O-CG1 3.35Å; K397-I471 PolarHBondContact O-N 2.98Å; K397-I471 VanDerWaalsContact O-N 3.17Å; P443-I471 HydrophobicContact CB-CD1 4.45Å; P443-I471 HydrophobicContact CB-CG1 4.4Å; P443-I471 HydrophobicContact CB-CG2 3.77Å; Y469-I471 PolarHBondContact O-N 2.04Å; I471-Q473 VanDerWaalsContact C-N 3.31Å
472	S	90.6	Very high	91.1	Very high	113 Å²	113	50.2 Å²	50.2	79%	0.79	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-18.5	179.9	-56.2	0	0	0	0	113.3	N470	N470-S472 PolarHBondContact O-N 3.08Å; N470-S472 PolarHBondContact OD1-N 3.39Å
473	Q	89.3	Confident	91.1	Very high	84 Å²	84	56 Å²	56	39%	0.393	30%	0.303	S	S	.	.			trans	-140.9	79.5	-177.1	-173.9	170.7	17.3	0	0	110.2	N470 I471 C475	N470-Q473 HydrophobicContact CB-CB 4.44Å; N470-Q473 CarbonylContact O-C 3.56Å; N470-Q473 PolarHBondContact O-N 3.32Å; N470-Q473 VanDerWaalsContact O-O 3.11Å; I471-Q473 VanDerWaalsContact C-N 3.31Å; Q473-C475 VanDerWaalsContact C-N 3.3Å; Q473-C475 WeakPolarHBondContact CG-O 3.4Å; Q473-C475 PolarHBondContact O-N 2.96Å
474	P	88.8	Confident	90.9	Very high	47 Å²	47	55.5 Å²	55.5	31%	0.305	30%	0.302	S	S	.	.	S	Bend	trans	-67.3	-24.7	-173.4	-23.2	34.6	0	0	0	115.7	R441 Y469 L481	R441-P474 PolarHBondContact NE-O 3.24Å; Y469-P474 HydrophobicContact CD2-CB 4.31Å; Y469-P474 HydrophobicContact CE2-CB 4.22Å; Y469-P474 HydrophobicContact CE2-CG 4.39Å; P474-L481 HydrophobicContact CB-CD2 4.29Å
475	C	90.6	Very high	90.8	Very high	17 Å²	17	55.8 Å²	55.8	12%	0.115	31%	0.306	C	S	.	.	S	Bend	trans	-125	156.2	173.6	-63.8	0	0	0	0	109.3	Q473 Q479 C487	Q473-C475 VanDerWaalsContact C-N 3.3Å; Q473-C475 WeakPolarHBondContact CG-O 3.4Å; Q473-C475 PolarHBondContact O-N 2.96Å; C475-Q479 HydrophobicContact CB-CB 3.83Å; C475-C487 WeakPolarHBondContact CA-SG 3.43Å; C475-C487 HydrophobicContact CB-CB 3.77Å; C475-C487 WeakPolarHBondContact CB-SG 3.35Å; C475-C487 WeakPolarHBondContact SG-CB 3.48Å; C475-C487 CovalentContact SG-SG 2.04Å; C475-C487 PolarHBondContact SG-SG 2.8Å
476	Q	87.9	Confident	90.7	Very high	130 Å²	130	56.7 Å²	56.7	61%	0.607	31%	0.309	S	S	*	.			trans	-63.7	162.3	179.2	-63	-175.9	-18.2	0	0	111.7	G478 Q479	Q476-G478 PolarHBondContact O-N 2.93Å; Q476-Q479 HydrophobicContact CB-CG 4.39Å; Q476-Q479 WeakPolarHBondContact O-CB 3.29Å; Q476-Q479 PolarHBondContact O-N 2.97Å; Q476-Q479 VanDerWaalsContact O-N 3.1Å
477	E	88.2	Confident	90.6	Very high	168 Å²	168	57.4 Å²	57.4	79%	0.785	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	135.5	173	-63.9	-168	172.6	0	0	110.5	Q479	E477-Q479 VanDerWaalsContact C-N 3.34Å
478	G	88.3	Confident	90.7	Very high	41 Å²	41	56.4 Å²	56.4	42%	0.423	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	3.1	-176.2	0	0	0	0	0	115.1	Q476 K490	Q476-G478 PolarHBondContact O-N 2.93Å; G478-K490 VanDerWaalsContact O-CB 3.31Å; G478-K490 WeakPolarHBondContact O-CB 3.46Å; G478-K490 VanDerWaalsContact O-CG 3.24Å; G478-K490 WeakPolarHBondContact O-CG 3.43Å; G478-K490 PolarHBondContact O-N 2.93Å
479	Q	93.5	Very high	90.8	Very high	55 Å²	55	61.2 Å²	61.2	26%	0.257	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	156.4	173.6	-66.4	177.7	-16.2	0	0	112.8	C475 Q476 E477 C487 V488 K490	C475-Q479 HydrophobicContact CB-CB 3.83Å; Q476-Q479 HydrophobicContact CB-CG 4.39Å; Q476-Q479 WeakPolarHBondContact O-CB 3.29Å; Q476-Q479 PolarHBondContact O-N 2.97Å; Q476-Q479 VanDerWaalsContact O-N 3.1Å; E477-Q479 VanDerWaalsContact C-N 3.34Å; Q479-C487 HydrophobicContact CB-CB 4.41Å; Q479-V488 CarbonylContact C-O 3.53Å; Q479-V488 WeakPolarHBondContact CA-O 3.37Å; Q479-V488 WeakPolarHBondContact CB-O 3.37Å; Q479-K490 WeakPolarHBondContact O-CE 3.37Å
480	F	91.8	Very high	90.7	Very high	62 Å²	62	66.4 Å²	66.4	27%	0.272	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	139.3	173.2	173.4	-103.3	0	0	0	109.7	C487 V488 L493 D505	F480-C487 WeakPolarHBondContact O-CA 3.44Å; F480-V488 HydrophobicContact CB-CG2 4.12Å; F480-V488 HydrophobicContact CD1-CG2 3.89Å; F480-V488 PolarHBondContact N-O 3.07Å; F480-V488 PolarHBondContact O-N 2.97Å; F480-L493 HydrophobicContact CD1-CD1 3.98Å; F480-L493 HydrophobicContact CD2-CD1 4.03Å; F480-L493 HydrophobicContact CE1-CD1 3.99Å; F480-L493 HydrophobicContact CE2-CD1 4.05Å; F480-L493 HydrophobicContact CG-CD1 3.99Å; F480-L493 HydrophobicContact CZ-CD1 4.03Å; F480-D505 HydrophobicContact CE1-CB 4.5Å
481	L	92.7	Very high	90.5	Very high	77 Å²	77	67.4 Å²	67.4	40%	0.403	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	113.8	179.6	177	64.8	0	0	0	110	P474	P474-L481 HydrophobicContact CB-CD2 4.29Å
482	C	92.4	Very high	90.4	Very high	5 Å²	5	69.7 Å²	69.7	3%	0.034	38%	0.378	C	S	.	.			trans	-71.1	160.9	176.1	-55.2	0	0	0	0	112.3	T484 G485 L486 C500	C482-T484 VanDerWaalsContact C-N 3.28Å; C482-T484 WeakPolarHBondContact CB-OG1 3.22Å; C482-T484 PolarHBondContact O-N 2.91Å; C482-G485 WeakPolarHBondContact O-CA 3.3Å; C482-G485 PolarHBondContact O-N 2.88Å; C482-L486 HydrophobicContact CB-CB 4.2Å; C482-L486 WeakPolarHBondContact CB-O 3.48Å; C482-L486 PolarHBondContact N-O 2.9Å; C482-L486 PolarHBondContact SG-O 3.48Å; C482-L486 VanDerWaalsContact SG-O 3.35Å; C482-C500 HydrophobicContact CB-CB 3.53Å; C482-C500 WeakPolarHBondContact CB-SG 3.33Å; C482-C500 WeakPolarHBondContact SG-CA 3.38Å; C482-C500 WeakPolarHBondContact SG-CB 3.3Å; C482-C500 CovalentContact SG-SG 2.02Å; C482-C500 PolarHBondContact SG-SG 2.69Å
483	T	89.6	Confident	90.4	Very high	123 Å²	123	67.8 Å²	67.8	76%	0.755	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-28.7	173.5	-46.6	0	0	0	0	111.8	G485 D502 S504	T483-G485 PolarHBondContact O-N 3.4Å; T483-D502 VanDerWaalsContact C-OD2 3.3Å; T483-D502 WeakPolarHBondContact CA-OD2 3.42Å; T483-D502 WeakPolarHBondContact CB-OD2 3.47Å; T483-D502 PolarHBondContact N-OD2 3.01Å; T483-S504 VanDerWaalsContact CB-OG 3.28Å; T483-S504 WeakPolarHBondContact CB-OG 3.44Å; T483-S504 PolarHBondContact N-OG 2.89Å; T483-S504 PolarHBondContact OG1-OG 2.99Å
484	T	88.9	Confident	90.2	Very high	17 Å²	17	64.7 Å²	64.7	10%	0.104	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-13.1	166.5	53.6	0	0	0	0	113.8	V439 C482 L486 C500 D502	V439-T484 PolarHBondContact N-O 2.93Å; C482-T484 VanDerWaalsContact C-N 3.28Å; C482-T484 WeakPolarHBondContact CB-OG1 3.22Å; C482-T484 PolarHBondContact O-N 2.91Å; T484-L486 VanDerWaalsContact C-N 3.3Å; T484-L486 PolarHBondContact OG1-N 3.5Å; T484-C500 VanDerWaalsContact CG2-O 3.26Å; T484-C500 WeakPolarHBondContact CG2-O 3.17Å; T484-C500 PolarHBondContact OG1-O 2.94Å; T484-D502 HydrophobicContact CG2-CB 3.66Å; T484-D502 WeakPolarHBondContact CG2-OD2 3.22Å; T484-D502 PolarHBondContact N-OD2 3.16Å
485	G	90.6	Very high	89.9	Confident	8 Å²	8	64.1 Å²	64.1	8%	0.082	34%	0.34	C	S	.	.	S	Bend	trans	81.6	0.5	-171.4	0	0	0	0	0	114.2	V439 R441 C482 T483	V439-G485 WeakPolarHBondContact CB-O 3.17Å; V439-G485 WeakPolarHBondContact O-CA 3.35Å; R441-G485 VanDerWaalsContact CZ-O 3.24Å; R441-G485 PolarHBondContact NH1-O 2.82Å; R441-G485 PolarHBondContact NH2-O 2.9Å; C482-G485 WeakPolarHBondContact O-CA 3.3Å; C482-G485 PolarHBondContact O-N 2.88Å; T483-G485 PolarHBondContact O-N 3.4Å
486	L	92.3	Very high	89.4	Confident	31 Å²	31	64.5 Å²	64.5	16%	0.162	35%	0.347	C	S	.	.			trans	-64.3	151	170.9	-64.4	171.9	0	0	0	110.7	V439 C482 T484 Q501	V439-L486 HydrophobicContact CG2-CD2 3.95Å; C482-L486 HydrophobicContact CB-CB 4.2Å; C482-L486 WeakPolarHBondContact CB-O 3.48Å; C482-L486 PolarHBondContact N-O 2.9Å; C482-L486 PolarHBondContact SG-O 3.48Å; C482-L486 VanDerWaalsContact SG-O 3.35Å; T484-L486 VanDerWaalsContact C-N 3.3Å; T484-L486 PolarHBondContact OG1-N 3.5Å; L486-Q501 HydrophobicContact CD1-CG 4.23Å
487	C	92.5	Very high	89.2	Confident	44 Å²	44	60.2 Å²	60.2	30%	0.297	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	119.6	170.7	-62.7	0	0	0	0	108.2	R441 C475 Q479 F480	R441-C487 PolarHBondContact NH2-SG 2.8Å; C475-C487 WeakPolarHBondContact CA-SG 3.43Å; C475-C487 HydrophobicContact CB-CB 3.77Å; C475-C487 WeakPolarHBondContact CB-SG 3.35Å; C475-C487 WeakPolarHBondContact SG-CB 3.48Å; C475-C487 CovalentContact SG-SG 2.04Å; C475-C487 PolarHBondContact SG-SG 2.8Å; Q479-C487 HydrophobicContact CB-CB 4.41Å; F480-C487 WeakPolarHBondContact O-CA 3.44Å
488	V	92.8	Very high	89.1	Confident	15 Å²	15	53.5 Å²	53.5	9%	0.091	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	156.1	176.8	-62.5	0	0	0	0	109.5	Q479 F480 D499	Q479-V488 CarbonylContact C-O 3.53Å; Q479-V488 WeakPolarHBondContact CA-O 3.37Å; Q479-V488 WeakPolarHBondContact CB-O 3.37Å; F480-V488 HydrophobicContact CB-CG2 4.12Å; F480-V488 HydrophobicContact CD1-CG2 3.89Å; F480-V488 PolarHBondContact N-O 3.07Å; F480-V488 PolarHBondContact O-N 2.97Å; V488-D499 HydrophobicContact CG1-CB 3.96Å
489	E	93.5	Very high	89.2	Confident	107 Å²	107	53.2 Å²	53.2	50%	0.5	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	144.9	176.8	-65.1	-179	174.4	0	0	110.9	S491 R492	E489-S491 VanDerWaalsContact CB-OG 3.26Å; E489-S491 WeakPolarHBondContact CB-OG 3.22Å; E489-S491 PolarHBondContact O-N 2.87Å; E489-S491 VanDerWaalsContact O-N 3.13Å; E489-S491 PolarHBondContact OE2-OG 3.15Å; E489-R492 HydrophobicContact CB-CG 4.38Å; E489-R492 WeakPolarHBondContact O-CB 3.22Å; E489-R492 PolarHBondContact O-N 2.81Å
490	K	89.4	Confident	89	Confident	130 Å²	130	50.6 Å²	50.6	57%	0.565	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-61.7	-21.3	176.6	-77.7	178.5	-174.5	-176.2	0	113.5	G478 Q479 R492 L493	G478-K490 VanDerWaalsContact O-CB 3.31Å; G478-K490 WeakPolarHBondContact O-CB 3.46Å; G478-K490 VanDerWaalsContact O-CG 3.24Å; G478-K490 WeakPolarHBondContact O-CG 3.43Å; G478-K490 PolarHBondContact O-N 2.93Å; Q479-K490 WeakPolarHBondContact O-CE 3.37Å; K490-R492 PolarHBondContact O-N 3.32Å; K490-L493 WeakPolarHBondContact O-CB 3.48Å; K490-L493 PolarHBondContact O-N 2.73Å
491	S	85.9	Confident	88.8	Confident	87 Å²	87	51.4 Å²	51.4	61%	0.608	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-65.8	-22.4	172.2	46.4	0	0	0	0	113.3	E489	E489-S491 VanDerWaalsContact CB-OG 3.26Å; E489-S491 WeakPolarHBondContact CB-OG 3.22Å; E489-S491 PolarHBondContact O-N 2.87Å; E489-S491 VanDerWaalsContact O-N 3.13Å; E489-S491 PolarHBondContact OE2-OG 3.15Å
492	R	89	Confident	88.5	Confident	103 Å²	103	48.7 Å²	48.7	39%	0.389	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-90.7	-0.3	177.7	-64.3	179.3	179.9	-129.2	2.7	113.2	E489 K490 C494 D499	E489-R492 HydrophobicContact CB-CG 4.38Å; E489-R492 WeakPolarHBondContact O-CB 3.22Å; E489-R492 PolarHBondContact O-N 2.81Å; K490-R492 PolarHBondContact O-N 3.32Å; R492-C494 PolarHBondContact O-N 2.83Å; R492-D499 WeakPolarHBondContact CB-OD2 3.39Å; R492-D499 WeakPolarHBondContact CD-OD2 3.42Å; R492-D499 WeakPolarHBondContact CG-OD2 3.32Å; R492-D499 IonicContact CZ-OD1 2.82Å; R492-D499 IonicContact NH1-OD1 3.4Å; R492-D499 PolarHBondContact NH1-OD1 3.4Å; R492-D499 IonicContact NH1-OD2 2.86Å
493	L	89.5	Confident	88.2	Confident	72 Å²	72	49.3 Å²	49.3	38%	0.377	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	122.4	176	-172.5	72.8	0	0	0	108.8	F480 K490 D495 D505	F480-L493 HydrophobicContact CD1-CD1 3.98Å; F480-L493 HydrophobicContact CD2-CD1 4.03Å; F480-L493 HydrophobicContact CE1-CD1 3.99Å; F480-L493 HydrophobicContact CE2-CD1 4.05Å; F480-L493 HydrophobicContact CG-CD1 3.99Å; F480-L493 HydrophobicContact CZ-CD1 4.03Å; K490-L493 WeakPolarHBondContact O-CB 3.48Å; K490-L493 PolarHBondContact O-N 2.73Å; L493-D495 VanDerWaalsContact C-N 3.33Å; L493-D505 HydrophobicContact CD1-CB 4.35Å; L493-D505 WeakPolarHBondContact CD1-O 3.22Å
494	C	86.5	Confident	88.3	Confident	20 Å²	20	44.1 Å²	44.1	14%	0.135	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	32	178	-53.4	0	0	0	0	114	R492 G496 D505 E506 C509 H523	R492-C494 PolarHBondContact O-N 2.83Å; C494-G496 VanDerWaalsContact C-N 3.34Å; C494-D505 PolarHBondContact N-O 2.73Å; C494-E506 WeakPolarHBondContact CA-OE1 3.45Å; C494-E506 WeakPolarHBondContact CA-OE2 3.41Å; C494-E506 PolarHBondContact N-OE1 2.84Å; C494-C509 WeakPolarHBondContact CA-SG 3.3Å; C494-C509 HydrophobicContact CB-CB 3.64Å; C494-C509 WeakPolarHBondContact CB-SG 3.11Å; C494-C509 WeakPolarHBondContact SG-CA 2.96Å; C494-C509 WeakPolarHBondContact SG-CB 3.06Å; C494-C509 CovalentContact SG-SG 2.02Å; C494-C509 PolarHBondContact SG-SG 2.95Å; C494-H523 PolarHBondContact O-CE1 3.45Å; C494-H523 PolarHBondContact O-NE2 3.22Å
495	D	82.8	Confident	88.4	Confident	34 Å²	34	43.3 Å²	43.3	18%	0.182	23%	0.231	C	C	.	.	S	Bend	trans	-89.2	-3.2	-177.2	80.4	-10.2	0	0	0	113.4	L493 L497 E506	L493-D495 VanDerWaalsContact C-N 3.33Å; D495-L497 WeakPolarHBondContact OD1-CA 3.09Å; D495-L497 WeakPolarHBondContact OD1-CB 3.23Å; D495-L497 PolarHBondContact OD1-N 2.85Å; D495-E506 PolarHBondContact N-OE1 3.16Å; D495-E506 PolarHBondContact N-OE2 3.16Å
496	G	79.1	Confident	88.3	Confident	25 Å²	25	44.8 Å²	44.8	26%	0.258	24%	0.236	S	C	.	.	S	Bend	trans	93.1	2.4	-177.2	0	0	0	0	0	114.6	C494 E506 I552	C494-G496 VanDerWaalsContact C-N 3.34Å; G496-E506 WeakPolarHBondContact CA-OE2 3.19Å; G496-E506 VanDerWaalsContact N-CD 3.3Å; G496-E506 PolarHBondContact N-OE1 3.24Å; G496-E506 PolarHBondContact N-OE2 3.15Å; G496-I552 VanDerWaalsContact O-CG2 3.29Å; G496-I552 WeakPolarHBondContact O-CG2 3.44Å
497	L	83.6	Confident	88.1	Confident	40 Å²	40	44.1 Å²	44.1	21%	0.209	23%	0.233	C	C	.	.	S	Bend	trans	-116.2	142.5	180	-68.5	165.5	0	0	0	112	D495 D499 E506 I552	D495-L497 WeakPolarHBondContact OD1-CA 3.09Å; D495-L497 WeakPolarHBondContact OD1-CB 3.23Å; D495-L497 PolarHBondContact OD1-N 2.85Å; L497-D499 VanDerWaalsContact C-N 3.34Å; L497-D499 PolarHBondContact O-N 3.38Å; L497-D499 VanDerWaalsContact O-N 3.08Å; L497-E506 WeakPolarHBondContact O-CG 3.33Å; L497-I552 HydrophobicContact CD2-CB 4.24Å; L497-I552 HydrophobicContact CD2-CG1 4.11Å; L497-I552 HydrophobicContact CD2-CG2 3.64Å; L497-I552 HydrophobicContact CG-CG2 4.21Å
498	D	86.2	Confident	87.8	Confident	28 Å²	28	48 Å²	48	15%	0.15	25%	0.245	C	C	.	.			trans	-82.3	77.7	173.7	-177.9	13.6	0	0	0	109.9	Q501 D502 E503 R770 K828	D498-Q501 PolarHBondContact O-NE2 3.18Å; D498-Q501 WeakPolarHBondContact OD1-CA 3.38Å; D498-Q501 PolarHBondContact OD1-N 2.86Å; D498-D502 PolarHBondContact OD1-N 3.41Å; D498-D502 VanDerWaalsContact OD1-N 3.08Å; D498-E503 HydrophobicContact CB-CG 3.83Å; D498-E503 WeakPolarHBondContact OD1-CA 3.47Å; D498-E503 PolarHBondContact OD1-N 3.18Å; D498-R770 IonicContact OD2-NH1 3.78Å; D498-K828 IonicContact OD2-NZ 2.94Å; D498-K828 PolarHBondContact OD2-NZ 2.86Å; D498-K828 VanDerWaalsContact OD2-NZ 3.11Å
499	D	89.5	Confident	87.5	Confident	35 Å²	35	49.4 Å²	49.4	19%	0.187	26%	0.255	C	S	.	.	S	Bend	trans	-77.3	-32.5	175.9	-74.5	-63.9	0	0	0	111.6	V488 R492 L497 Q501 D505	V488-D499 HydrophobicContact CG1-CB 3.96Å; R492-D499 WeakPolarHBondContact CB-OD2 3.39Å; R492-D499 WeakPolarHBondContact CD-OD2 3.42Å; R492-D499 WeakPolarHBondContact CG-OD2 3.32Å; R492-D499 IonicContact CZ-OD1 2.82Å; R492-D499 IonicContact NH1-OD1 3.4Å; R492-D499 PolarHBondContact NH1-OD1 3.4Å; R492-D499 IonicContact NH1-OD2 2.86Å; L497-D499 VanDerWaalsContact C-N 3.34Å; L497-D499 PolarHBondContact O-N 3.38Å; L497-D499 VanDerWaalsContact O-N 3.08Å; D499-Q501 PolarHBondContact O-N 2.67Å; D499-D505 VanDerWaalsContact CA-OD2 3.3Å; D499-D505 WeakPolarHBondContact CA-OD2 3.14Å; D499-D505 VanDerWaalsContact CB-OD2 3.25Å; D499-D505 WeakPolarHBondContact CB-OD2 3.25Å; D499-D505 PolarHBondContact N-OD2 2.81Å
500	C	89.4	Confident	87	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.264	C	S	.	.	S	Bend	trans	-71.9	-10.9	176.9	-77.7	0	0	0	0	114.6	C482 T484 D502 D505	C482-C500 HydrophobicContact CB-CB 3.53Å; C482-C500 WeakPolarHBondContact CB-SG 3.33Å; C482-C500 WeakPolarHBondContact SG-CA 3.38Å; C482-C500 WeakPolarHBondContact SG-CB 3.3Å; C482-C500 CovalentContact SG-SG 2.02Å; C482-C500 PolarHBondContact SG-SG 2.69Å; T484-C500 VanDerWaalsContact CG2-O 3.26Å; T484-C500 WeakPolarHBondContact CG2-O 3.17Å; T484-C500 PolarHBondContact OG1-O 2.94Å; C500-D502 WeakPolarHBondContact CB-OD1 3.1Å; C500-D502 PolarHBondContact O-N 3.14Å; C500-D502 VanDerWaalsContact O-N 3.11Å; C500-D505 HydrophobicContact CB-CB 4.39Å; C500-D505 PolarHBondContact N-OD2 2.81Å
501	Q	87.7	Confident	86.3	Confident	78 Å²	78	54.7 Å²	54.7	36%	0.364	28%	0.28	S	S	.	.	S	Bend	trans	64.8	-2.9	-173.1	-54.3	-64.2	-45.9	0	0	115.1	H436 L486 D498 D499 R770	H436-Q501 HydrophobicContact CB-CB 3.85Å; H436-Q501 HydrophobicContact CB-CG 3.94Å; L486-Q501 HydrophobicContact CD1-CG 4.23Å; D498-Q501 PolarHBondContact O-NE2 3.18Å; D498-Q501 WeakPolarHBondContact OD1-CA 3.38Å; D498-Q501 PolarHBondContact OD1-N 2.86Å; D499-Q501 PolarHBondContact O-N 2.67Å; Q501-R770 PolarHBondContact O-NH1 2.02Å; Q501-R770 PolarHBondContact O-NH2 3.06Å
502	D	86.7	Confident	85.8	Confident	21 Å²	21	52.3 Å²	52.3	11%	0.112	26%	0.263	C	S	.	.	S	Bend	trans	-125.8	11.9	177	67.1	6.2	0	0	0	113.8	T483 T484 D498 C500 S504 K761 P769	T483-D502 VanDerWaalsContact C-OD2 3.3Å; T483-D502 WeakPolarHBondContact CA-OD2 3.42Å; T483-D502 WeakPolarHBondContact CB-OD2 3.47Å; T483-D502 PolarHBondContact N-OD2 3.01Å; T484-D502 HydrophobicContact CG2-CB 3.66Å; T484-D502 WeakPolarHBondContact CG2-OD2 3.22Å; T484-D502 PolarHBondContact N-OD2 3.16Å; D498-D502 PolarHBondContact OD1-N 3.41Å; D498-D502 VanDerWaalsContact OD1-N 3.08Å; C500-D502 WeakPolarHBondContact CB-OD1 3.1Å; C500-D502 PolarHBondContact O-N 3.14Å; C500-D502 VanDerWaalsContact O-N 3.11Å; D502-S504 PolarHBondContact O-N 2.54Å; D502-S504 WeakPolarHBondContact OD1-CB 3.37Å; D502-S504 PolarHBondContact OD1-N 2.8Å; D502-S504 PolarHBondContact OD1-OG 2.82Å; D502-S504 PolarHBondContact OD2-OG 2.77Å; D502-K761 PolarHBondContact O-NZ 2.81Å; D502-K761 VanDerWaalsContact O-NZ 3.08Å; D502-P769 WeakPolarHBondContact O-CD 3.17Å; D502-P769 WeakPolarHBondContact O-CG 3.26Å
503	E	87.6	Confident	85.2	Confident	18 Å²	18	53 Å²	53	8%	0.084	28%	0.279	C	S	.	.	S	Bend	trans	46.2	40	-172.3	-60.4	170.2	174	0	0	111.3	D498 D505 E506 V507 Q757 K761 P769 R825 K828	D498-E503 HydrophobicContact CB-CG 3.83Å; D498-E503 WeakPolarHBondContact OD1-CA 3.47Å; D498-E503 PolarHBondContact OD1-N 3.18Å; E503-D505 WeakPolarHBondContact CA-OD1 3.5Å; E503-E506 HydrophobicContact CB-CB 4.41Å; E503-V507 WeakPolarHBondContact O-CG1 3.13Å; E503-V507 WeakPolarHBondContact O-CG2 3.44Å; E503-Q757 VanDerWaalsContact OE2-CG 3.26Å; E503-Q757 WeakPolarHBondContact OE2-CG 3.32Å; E503-K761 PolarHBondContact O-NZ 3.08Å; E503-K761 VanDerWaalsContact O-NZ 3.15Å; E503-P769 HydrophobicContact CB-CB 4.31Å; E503-P769 HydrophobicContact CB-CG 3.62Å; E503-P769 HydrophobicContact CG-CB 3.56Å; E503-P769 HydrophobicContact CG-CG 3.4Å; E503-P769 VanDerWaalsContact CG-CG 3.4Å; E503-P769 WeakPolarHBondContact OE1-CB 3.34Å; E503-P769 WeakPolarHBondContact OE2-CB 3.29Å; E503-R825 IonicContact OE1-CZ 3.82Å; E503-R825 IonicContact OE1-NH1 2.76Å; E503-R825 PolarHBondContact OE1-NH1 2.85Å; E503-R825 IonicContact OE2-NH2 3.33Å; E503-K828 IonicContact OE1-NZ 3.87Å; E503-K828 PolarHBondContact OE1-NZ 3.14Å
504	S	90.6	Very high	84.6	Confident	14 Å²	14	53.3 Å²	53.3	10%	0.098	28%	0.28	C	S	.	.	S	Bend	trans	-77.8	-29.3	172.7	-64.6	0	0	0	0	112.6	T483 D502	T483-S504 VanDerWaalsContact CB-OG 3.28Å; T483-S504 WeakPolarHBondContact CB-OG 3.44Å; T483-S504 PolarHBondContact N-OG 2.89Å; T483-S504 PolarHBondContact OG1-OG 2.99Å; D502-S504 PolarHBondContact O-N 2.54Å; D502-S504 WeakPolarHBondContact OD1-CB 3.37Å; D502-S504 PolarHBondContact OD1-N 2.8Å; D502-S504 PolarHBondContact OD1-OG 2.82Å; D502-S504 PolarHBondContact OD2-OG 2.77Å
505	D	91	Very high	84.2	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.292	C	S	.	.	S	Bend	trans	-69.2	-31.4	171.9	44.6	-7.5	0	0	0	113.1	F480 L493 C494 D499 C500 E503 C509	F480-D505 HydrophobicContact CE1-CB 4.5Å; L493-D505 HydrophobicContact CD1-CB 4.35Å; L493-D505 WeakPolarHBondContact CD1-O 3.22Å; C494-D505 PolarHBondContact N-O 2.73Å; D499-D505 VanDerWaalsContact CA-OD2 3.3Å; D499-D505 WeakPolarHBondContact CA-OD2 3.14Å; D499-D505 VanDerWaalsContact CB-OD2 3.25Å; D499-D505 WeakPolarHBondContact CB-OD2 3.25Å; D499-D505 PolarHBondContact N-OD2 2.81Å; C500-D505 HydrophobicContact CB-CB 4.39Å; C500-D505 PolarHBondContact N-OD2 2.81Å; E503-D505 WeakPolarHBondContact CA-OD1 3.5Å; D505-C509 PolarHBondContact O-SG 3.25Å; D505-C509 VanDerWaalsContact O-SG 3.4Å
506	E	88.6	Confident	83.8	Confident	39 Å²	39	55.8 Å²	55.8	18%	0.182	30%	0.297	C	S	.	.	S	Bend	trans	-101.8	7.3	-174.5	-62.6	-54.1	120	0	0	114.7	C494 D495 G496 L497 E503 C509	C494-E506 WeakPolarHBondContact CA-OE1 3.45Å; C494-E506 WeakPolarHBondContact CA-OE2 3.41Å; C494-E506 PolarHBondContact N-OE1 2.84Å; D495-E506 PolarHBondContact N-OE1 3.16Å; D495-E506 PolarHBondContact N-OE2 3.16Å; G496-E506 WeakPolarHBondContact CA-OE2 3.19Å; G496-E506 VanDerWaalsContact N-CD 3.3Å; G496-E506 PolarHBondContact N-OE1 3.24Å; G496-E506 PolarHBondContact N-OE2 3.15Å; L497-E506 WeakPolarHBondContact O-CG 3.33Å; E503-E506 HydrophobicContact CB-CB 4.41Å; E506-C509 VanDerWaalsContact C-SG 3.59Å
507	V	88.4	Confident	83.4	Confident	16 Å²	16	58.1 Å²	58.1	10%	0.097	31%	0.31	C	S	.	.	S	Bend	trans	-114	149.6	179.5	-67.3	0	0	0	0	111.8	E503 C509 Q757 K761	E503-V507 WeakPolarHBondContact O-CG1 3.13Å; E503-V507 WeakPolarHBondContact O-CG2 3.44Å; V507-C509 PolarHBondContact O-N 2.83Å; V507-Q757 HydrophobicContact CG1-CB 4.27Å; V507-Q757 HydrophobicContact CG1-CG 4.04Å; V507-K761 HydrophobicContact CG1-CD 4.06Å; V507-K761 HydrophobicContact CG2-CD 4.45Å
508	F	86.8	Confident	82.5	Confident	127 Å²	127	63.6 Å²	63.6	56%	0.557	35%	0.345	S	S	*	.	S	Bend	trans	58.6	25	-174.1	-49.3	-75.7	0	0	0	113.7	T758 K762	F508-T758 HydrophobicContact CD1-CG2 3.52Å; F508-T758 HydrophobicContact CE1-CG2 3.7Å; F508-T758 HydrophobicContact CG-CG2 4.19Å; F508-T758 HydrophobicContact CZ-CG2 4.46Å; F508-T758 PolarHBondContact N-OG1 3.37Å; F508-T758 VanDerWaalsContact N-OG1 3.15Å; F508-K762 HydrophobicContact CE1-CG 4.1Å
509	C	84.8	Confident	81.6	Confident	43 Å²	43	71.6 Å²	71.6	29%	0.291	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-67.1	134.2	173.9	-69.1	0	0	0	0	111.7	C494 D505 E506 V507	C494-C509 WeakPolarHBondContact CA-SG 3.3Å; C494-C509 HydrophobicContact CB-CB 3.64Å; C494-C509 WeakPolarHBondContact CB-SG 3.11Å; C494-C509 WeakPolarHBondContact SG-CA 2.96Å; C494-C509 WeakPolarHBondContact SG-CB 3.06Å; C494-C509 CovalentContact SG-SG 2.02Å; C494-C509 PolarHBondContact SG-SG 2.95Å; D505-C509 PolarHBondContact O-SG 3.25Å; D505-C509 VanDerWaalsContact O-SG 3.4Å; E506-C509 VanDerWaalsContact C-SG 3.59Å; V507-C509 PolarHBondContact O-N 2.83Å
510	P	83	Confident	80.6	Confident	108 Å²	108	74.8 Å²	74.8	70%	0.701	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-63.2	139.3	164.9	28.7	-31.9	0	0	0	108.2	P512	P510-P512 VanDerWaalsContact O-CD 3.29Å; P510-P512 WeakPolarHBondContact O-CD 3.39Å; P510-P512 VanDerWaalsContact O-N 3.11Å
511	R	76.5	Confident	79.6	Confident	240 Å²	240	79.8 Å²	79.8	91%	0.906	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-58.4	120.4	172	-78.6	-173.3	176.7	173.1	-2	108.3
512	P	75.6	Confident	79	Confident	37 Å²	37	77.1 Å²	77.1	24%	0.24	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-63	144.8	-178.1	17.1	-22.7	0	0	0	110.3	P510 I514 H523 L525 F526	P510-P512 VanDerWaalsContact O-CD 3.29Å; P510-P512 WeakPolarHBondContact O-CD 3.39Å; P510-P512 VanDerWaalsContact O-N 3.11Å; P512-I514 PolarHBondContact O-N 3.25Å; P512-H523 HydrophobicContact CB-CB 4.07Å; P512-H523 HydrophobicContact CG-CB 4.07Å; P512-L525 HydrophobicContact CG-CD1 3.95Å; P512-F526 HydrophobicContact CB-CE2 4.15Å; P512-F526 HydrophobicContact CG-CE2 3.78Å; P512-F526 HydrophobicContact CG-CZ 4.1Å; P512-F526 WeakPolarHBondContact O-CE2 3.32Å; P512-F526 WeakPolarHBondContact O-CZ 3.25Å
513	T	75.1	Confident	78.6	Confident	118 Å²	118	78.5 Å²	78.5	72%	0.724	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-71.4	127.9	174.2	48	0	0	0	0	109.4	T515	T513-T515 PolarHBondContact O-N 2.78Å
514	I	76.9	Confident	78.1	Confident	79 Å²	79	80.5 Å²	80.5	41%	0.405	44%	0.437	S	S	.	.			trans	-67.6	113.9	176	-62.7	165.1	0	0	0	108.4	P512 C516 F526 D533	P512-I514 PolarHBondContact O-N 3.25Å; I514-C516 WeakPolarHBondContact CG2-SG 3.48Å; I514-F526 HydrophobicContact CB-CE2 4.47Å; I514-F526 HydrophobicContact CD1-CD1 4.24Å; I514-F526 HydrophobicContact CD1-CE1 3.96Å; I514-F526 HydrophobicContact CD1-CZ 4.14Å; I514-F526 HydrophobicContact CG1-CD1 4.01Å; I514-F526 HydrophobicContact CG1-CD2 3.76Å; I514-F526 HydrophobicContact CG1-CE1 3.75Å; I514-F526 HydrophobicContact CG1-CE2 3.49Å; I514-F526 VanDerWaalsContact CG1-CE2 3.49Å; I514-F526 HydrophobicContact CG1-CG 4.03Å; I514-F526 HydrophobicContact CG1-CZ 3.49Å; I514-F526 VanDerWaalsContact CG1-CZ 3.49Å; I514-D533 HydrophobicContact CD1-CB 4.13Å
515	T	78.4	Confident	77.5	Confident	61 Å²	61	83.5 Å²	83.5	37%	0.374	45%	0.451	S	S	.	.			trans	-117.1	93.6	173.6	47.7	0	0	0	0	110.1	T513 S517	T513-T515 PolarHBondContact O-N 2.78Å; T515-S517 PolarHBondContact O-N 3.33Å
516	C	74.6	Confident	77	Confident	44 Å²	44	85 Å²	85	30%	0.297	46%	0.458	S	S	.	.			trans	-88.4	96.6	174.2	-51.9	0	0	0	0	108.5	I514 C534	I514-C516 WeakPolarHBondContact CG2-SG 3.48Å; C516-C534 HydrophobicContact CB-CB 3.73Å; C516-C534 WeakPolarHBondContact CB-SG 3.24Å; C516-C534 WeakPolarHBondContact SG-CA 3.34Å; C516-C534 WeakPolarHBondContact SG-CB 3.41Å; C516-C534 CovalentContact SG-SG 2.02Å; C516-C534 PolarHBondContact SG-SG 2.91Å
517	S	71.4	Confident	76.8	Confident	75 Å²	75	84.9 Å²	84.9	52%	0.524	46%	0.46	S	S	.	.	B	Isolated β-bridge	trans	-145.7	143.2	176.9	-76.5	0	0	0	0	110.3	T515 K519 I520	T515-S517 PolarHBondContact O-N 3.33Å; S517-K519 PolarHBondContact O-N 3.15Å; S517-I520 CarbonylContact O-C 3.53Å; S517-I520 PolarHBondContact O-N 2.5Å; S517-I520 VanDerWaalsContact O-N 3.14Å
518	T	64.4	Low	76.6	Confident	155 Å²	155	84.3 Å²	84.3	95%	0.951	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-14.9	-179	50.3	0	0	0	0	114.8
519	K	67.6	Low	76.2	Confident	195 Å²	195	80.2 Å²	80.2	85%	0.848	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-19.3	-179.3	-66	-175.8	-180	179.7	0	114.6	S517	S517-K519 PolarHBondContact O-N 3.15Å
520	I	68.4	Low	75.8	Confident	102 Å²	102	81.4 Å²	81.4	52%	0.523	46%	0.46	S	S	.	.	B	Isolated β-bridge	trans	-134.1	111.7	-177.2	-58.8	175.2	0	0	0	106.8	S517	S517-I520 CarbonylContact O-C 3.53Å; S517-I520 PolarHBondContact O-N 2.5Å; S517-I520 VanDerWaalsContact O-N 3.14Å
521	P	67.8	Low	75.8	Confident	105 Å²	105	81 Å²	81	68%	0.682	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-62.6	148.8	178.7	26.3	-32.5	0	0	0	110.6
522	P	75.3	Confident	76.1	Confident	23 Å²	23	76.6 Å²	76.6	15%	0.149	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-57.7	155.1	172.7	-19.1	30.5	0	0	0	111.1	F526 V527 D539	P522-F526 HydrophobicContact CB-CB 4.39Å; P522-V527 HydrophobicContact CB-CG2 3.88Å; P522-V527 HydrophobicContact CG-CG2 4.3Å; P522-D539 HydrophobicContact CG-CB 4.5Å
523	H	78.6	Confident	76.6	Confident	49 Å²	49	76.9 Å²	76.9	23%	0.227	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-56.3	142.1	175.2	-167.5	-88.5	0	0	0	110.6	C494 P512 L525 F526	C494-H523 PolarHBondContact O-CE1 3.45Å; C494-H523 PolarHBondContact O-NE2 3.22Å; P512-H523 HydrophobicContact CB-CB 4.07Å; P512-H523 HydrophobicContact CG-CB 4.07Å; H523-L525 WeakPolarHBondContact ND1-CG 3.22Å; H523-L525 PolarHBondContact ND1-N 3.4Å; H523-L525 PolarHBondContact O-N 3.21Å; H523-F526 HydrophobicContact CB-CD2 3.7Å; H523-F526 HydrophobicContact CB-CE2 4Å; H523-F526 PolarHBondContact O-N 2.66Å
524	P	77.4	Confident	77	Confident	61 Å²	61	71.3 Å²	71.3	40%	0.396	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-24.6	-178	-29.6	35.2	0	0	0	115.8	F526 I552	P524-F526 VanDerWaalsContact C-N 3.29Å; P524-F526 PolarHBondContact O-N 3.19Å; P524-I552 HydrophobicContact CB-CD1 4.34Å
525	L	77.2	Confident	77.3	Confident	77 Å²	77	73.5 Å²	73.5	40%	0.403	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-32	174.6	-70.6	174.6	0	0	0	113.4	P512 H523 N529 K565	P512-L525 HydrophobicContact CG-CD1 3.95Å; H523-L525 WeakPolarHBondContact ND1-CG 3.22Å; H523-L525 PolarHBondContact ND1-N 3.4Å; H523-L525 PolarHBondContact O-N 3.21Å; L525-N529 PolarHBondContact O-ND2 3.42Å; L525-K565 PolarHBondContact O-NZ 2.91Å
526	F	80.1	Confident	77.5	Confident	30 Å²	30	75.9 Å²	75.9	13%	0.132	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-4.7	-177	-53.9	-59.7	0	0	0	113.4	P512 I514 P522 H523 P524 D533 D539	P512-F526 HydrophobicContact CB-CE2 4.15Å; P512-F526 HydrophobicContact CG-CE2 3.78Å; P512-F526 HydrophobicContact CG-CZ 4.1Å; P512-F526 WeakPolarHBondContact O-CE2 3.32Å; P512-F526 WeakPolarHBondContact O-CZ 3.25Å; I514-F526 HydrophobicContact CB-CE2 4.47Å; I514-F526 HydrophobicContact CD1-CD1 4.24Å; I514-F526 HydrophobicContact CD1-CE1 3.96Å; I514-F526 HydrophobicContact CD1-CZ 4.14Å; I514-F526 HydrophobicContact CG1-CD1 4.01Å; I514-F526 HydrophobicContact CG1-CD2 3.76Å; I514-F526 HydrophobicContact CG1-CE1 3.75Å; I514-F526 HydrophobicContact CG1-CE2 3.49Å; I514-F526 VanDerWaalsContact CG1-CE2 3.49Å; I514-F526 HydrophobicContact CG1-CG 4.03Å; I514-F526 HydrophobicContact CG1-CZ 3.49Å; I514-F526 VanDerWaalsContact CG1-CZ 3.49Å; P522-F526 HydrophobicContact CB-CB 4.39Å; H523-F526 HydrophobicContact CB-CD2 3.7Å; H523-F526 HydrophobicContact CB-CE2 4Å; H523-F526 PolarHBondContact O-N 2.66Å; P524-F526 VanDerWaalsContact C-N 3.29Å; P524-F526 PolarHBondContact O-N 3.19Å; F526-D533 HydrophobicContact CB-CB 4.21Å; F526-D533 HydrophobicContact CD1-CB 4.3Å; F526-D533 WeakPolarHBondContact CD1-OD2 3.47Å; F526-D539 WeakPolarHBondContact O-CB 3.18Å
527	V	84.6	Confident	77.9	Confident	37 Å²	37	74.2 Å²	74.2	22%	0.224	43%	0.428	C	S	.	.	S	Bend	trans	-94.3	127.5	-178.3	179.2	0	0	0	0	109.6	P522 N529	P522-V527 HydrophobicContact CB-CG2 3.88Å; P522-V527 HydrophobicContact CG-CG2 4.3Å; V527-N529 PolarHBondContact O-N 3.37Å
528	C	84.2	Confident	78.5	Confident	5 Å²	5	73.7 Å²	73.7	3%	0.034	42%	0.422	C	S	.	.	S	Bend	trans	52.3	39.9	176.8	-64.8	0	0	0	0	113	D539 E540 C543 L563	C528-D539 PolarHBondContact N-O 3.37Å; C528-E540 WeakPolarHBondContact CA-OE1 3.32Å; C528-E540 WeakPolarHBondContact CA-OE2 3.47Å; C528-E540 PolarHBondContact N-OE1 2.01Å; C528-C543 VanDerWaalsContact CA-SG 3.55Å; C528-C543 HydrophobicContact CB-CB 3.7Å; C528-C543 WeakPolarHBondContact CB-SG 3.49Å; C528-C543 WeakPolarHBondContact SG-CA 3.48Å; C528-C543 WeakPolarHBondContact SG-CB 3.44Å; C528-C543 CovalentContact SG-SG 2.03Å; C528-C543 PolarHBondContact SG-SG 2.98Å; C528-L563 HydrophobicContact CB-CB 4.13Å
529	N	77.6	Confident	79.4	Confident	41 Å²	41	66.4 Å²	66.4	22%	0.219	38%	0.377	C	S	.	.	S	Bend	trans	-95.5	-3.2	-178.8	72.8	-0.7	0	0	0	113.1	L525 V527 E531 D533 E540 K565	L525-N529 PolarHBondContact O-ND2 3.42Å; V527-N529 PolarHBondContact O-N 3.37Å; N529-E531 VanDerWaalsContact C-N 3.34Å; N529-E531 PolarHBondContact OD1-N 3.27Å; N529-E531 PolarHBondContact OD1-O 3.36Å; N529-D533 PolarHBondContact ND2-OD2 2.91Å; N529-E540 PolarHBondContact N-OE1 3.14Å; N529-E540 PolarHBondContact N-OE2 2.87Å; N529-E540 PolarHBondContact OD1-OE1 3.12Å; N529-E540 VanDerWaalsContact OD1-OE1 3.08Å; N529-K565 HydrophobicContact CB-CD 4.42Å
530	G	78.3	Confident	80.3	Confident	67 Å²	67	59.7 Å²	59.7	69%	0.691	35%	0.349	S	S	*	.	S	Bend	trans	85.2	1	-178.9	0	0	0	0	0	114.5	E540	G530-E540 VanDerWaalsContact CA-OE2 3.3Å; G530-E540 WeakPolarHBondContact CA-OE2 3.39Å; G530-E540 VanDerWaalsContact N-CD 3.32Å; G530-E540 PolarHBondContact N-OE1 2.92Å; G530-E540 PolarHBondContact N-OE2 2.91Å
531	E	81.8	Confident	81.1	Confident	101 Å²	101	59.5 Å²	59.5	47%	0.472	35%	0.348	S	S	.	.	S	Bend	trans	-111.2	140.6	176.4	-61.9	-173.8	-174	0	0	109.5	N529 D533 E540	N529-E531 VanDerWaalsContact C-N 3.34Å; N529-E531 PolarHBondContact OD1-N 3.27Å; N529-E531 PolarHBondContact OD1-O 3.36Å; E531-D533 VanDerWaalsContact C-N 3.33Å; E531-D533 PolarHBondContact O-N 3.12Å; E531-D533 VanDerWaalsContact O-N 3.08Å; E531-E540 WeakPolarHBondContact O-CG 3.31Å
532	M	83.3	Confident	82	Confident	147 Å²	147	58.7 Å²	58.7	72%	0.724	34%	0.337	S	S	*	.			trans	-83.4	81.7	174.9	-175.1	-178.1	-64.9	0	0	108.7	C534	M532-C534 VanDerWaalsContact CG-O 3.25Å; M532-C534 WeakPolarHBondContact CG-O 3.34Å
533	D	85	Confident	82.5	Confident	42 Å²	42	58.3 Å²	58.3	23%	0.225	34%	0.335	C	S	.	.			trans	-76.3	-35.6	178.1	-72	-59.5	0	0	0	111.3	I514 F526 N529 E531 D539	I514-D533 HydrophobicContact CD1-CB 4.13Å; F526-D533 HydrophobicContact CB-CB 4.21Å; F526-D533 HydrophobicContact CD1-CB 4.3Å; F526-D533 WeakPolarHBondContact CD1-OD2 3.47Å; N529-D533 PolarHBondContact ND2-OD2 2.91Å; E531-D533 VanDerWaalsContact C-N 3.33Å; E531-D533 PolarHBondContact O-N 3.12Å; E531-D533 VanDerWaalsContact O-N 3.08Å; D533-D539 WeakPolarHBondContact CA-OD2 3.44Å; D533-D539 VanDerWaalsContact CB-OD2 3.24Å; D533-D539 WeakPolarHBondContact CB-OD2 3.15Å; D533-D539 PolarHBondContact N-OD2 2.72Å
534	C	84.9	Confident	82.9	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.007	35%	0.345	C	S	.	.	S	Bend	trans	-87.6	139.2	172.8	-64.6	0	0	0	0	112.1	C516 M532 D536 G537 V538 D539	C516-C534 HydrophobicContact CB-CB 3.73Å; C516-C534 WeakPolarHBondContact CB-SG 3.24Å; C516-C534 WeakPolarHBondContact SG-CA 3.34Å; C516-C534 WeakPolarHBondContact SG-CB 3.41Å; C516-C534 CovalentContact SG-SG 2.02Å; C516-C534 PolarHBondContact SG-SG 2.91Å; M532-C534 VanDerWaalsContact CG-O 3.25Å; M532-C534 WeakPolarHBondContact CG-O 3.34Å; C534-D536 VanDerWaalsContact CB-OD1 3.27Å; C534-D536 WeakPolarHBondContact CB-OD1 3.27Å; C534-D536 PolarHBondContact O-N 3.17Å; C534-G537 PolarHBondContact O-N 3.45Å; C534-V538 HydrophobicContact CB-CG1 4Å; C534-D539 HydrophobicContact CB-CB 4.35Å; C534-D539 WeakPolarHBondContact CB-OD1 3.17Å; C534-D539 PolarHBondContact N-OD2 3.48Å
535	S	83.2	Confident	83.3	Confident	125 Å²	125	62.1 Å²	62.1	87%	0.874	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-21	-179.4	55.3	0	0	0	0	114.7
536	D	82.6	Confident	83.7	Confident	112 Å²	112	62.8 Å²	62.8	60%	0.599	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-2.3	176.8	60.3	-13.4	0	0	0	113.4	C534 V538	C534-D536 VanDerWaalsContact CB-OD1 3.27Å; C534-D536 WeakPolarHBondContact CB-OD1 3.27Å; C534-D536 PolarHBondContact O-N 3.17Å; D536-V538 PolarHBondContact O-N 3.21Å; D536-V538 VanDerWaalsContact OD1-CG1 3.26Å; D536-V538 WeakPolarHBondContact OD1-CG1 3.37Å; D536-V538 PolarHBondContact OD1-N 3.16Å
537	G	81.5	Confident	84	Confident	9 Å²	9	63.6 Å²	63.6	9%	0.093	36%	0.36	C	S	.	.			trans	65.7	18.2	-177.9	0	0	0	0	0	114.5	C534 D539 E540	C534-G537 PolarHBondContact O-N 3.45Å; G537-D539 WeakPolarHBondContact CA-OD1 3.14Å; G537-D539 PolarHBondContact O-N 2.97Å; G537-E540 PolarHBondContact O-N 2.8Å; G537-E540 VanDerWaalsContact O-N 3.16Å
538	V	84	Confident	84.1	Confident	63 Å²	63	66 Å²	66	38%	0.382	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-66	-21.3	-177.2	72.2	0	0	0	0	113.6	C534 D536 E540 I541	C534-V538 HydrophobicContact CB-CG1 4Å; D536-V538 PolarHBondContact O-N 3.21Å; D536-V538 VanDerWaalsContact OD1-CG1 3.26Å; D536-V538 WeakPolarHBondContact OD1-CG1 3.37Å; D536-V538 PolarHBondContact OD1-N 3.16Å; V538-E540 VanDerWaalsContact C-N 3.33Å; V538-I541 HydrophobicContact CG2-CD1 4Å; V538-I541 HydrophobicContact CG2-CG1 4.41Å; V538-I541 VanDerWaalsContact O-CG1 3.22Å; V538-I541 WeakPolarHBondContact O-CG1 3.14Å
539	D	83.6	Confident	84.1	Confident	3 Å²	3	69 Å²	69	2%	0.016	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-68.4	-27.6	173.7	50.6	-31.9	0	0	0	113.6	P522 F526 C528 D533 C534 G537	P522-D539 HydrophobicContact CG-CB 4.5Å; F526-D539 WeakPolarHBondContact O-CB 3.18Å; C528-D539 PolarHBondContact N-O 3.37Å; D533-D539 WeakPolarHBondContact CA-OD2 3.44Å; D533-D539 VanDerWaalsContact CB-OD2 3.24Å; D533-D539 WeakPolarHBondContact CB-OD2 3.15Å; D533-D539 PolarHBondContact N-OD2 2.72Å; C534-D539 HydrophobicContact CB-CB 4.35Å; C534-D539 WeakPolarHBondContact CB-OD1 3.17Å; C534-D539 PolarHBondContact N-OD2 3.48Å; G537-D539 WeakPolarHBondContact CA-OD1 3.14Å; G537-D539 PolarHBondContact O-N 2.97Å
540	E	87.4	Confident	84.3	Confident	54 Å²	54	69 Å²	69	25%	0.252	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-107.5	11.4	-175.2	-63.9	-56.2	121.6	0	0	113.9	C528 N529 G530 E531 G537 V538	C528-E540 WeakPolarHBondContact CA-OE1 3.32Å; C528-E540 WeakPolarHBondContact CA-OE2 3.47Å; C528-E540 PolarHBondContact N-OE1 2.01Å; N529-E540 PolarHBondContact N-OE1 3.14Å; N529-E540 PolarHBondContact N-OE2 2.87Å; N529-E540 PolarHBondContact OD1-OE1 3.12Å; N529-E540 VanDerWaalsContact OD1-OE1 3.08Å; G530-E540 VanDerWaalsContact CA-OE2 3.3Å; G530-E540 WeakPolarHBondContact CA-OE2 3.39Å; G530-E540 VanDerWaalsContact N-CD 3.32Å; G530-E540 PolarHBondContact N-OE1 2.92Å; G530-E540 PolarHBondContact N-OE2 2.91Å; E531-E540 WeakPolarHBondContact O-CG 3.31Å; G537-E540 PolarHBondContact O-N 2.8Å; G537-E540 VanDerWaalsContact O-N 3.16Å; V538-E540 VanDerWaalsContact C-N 3.33Å
541	I	85.6	Confident	84.2	Confident	98 Å²	98	68.3 Å²	68.3	50%	0.503	40%	0.395	S	S	.	.	S	Bend	trans	-98.7	152.5	175.3	61.9	168.4	0	0	0	112	V538 C543	V538-I541 HydrophobicContact CG2-CD1 4Å; V538-I541 HydrophobicContact CG2-CG1 4.41Å; V538-I541 VanDerWaalsContact O-CG1 3.22Å; V538-I541 WeakPolarHBondContact O-CG1 3.14Å; I541-C543 VanDerWaalsContact C-N 3.28Å; I541-C543 PolarHBondContact O-N 3.11Å
542	N	85	Confident	83.9	Confident	87 Å²	87	66.3 Å²	66.3	47%	0.465	39%	0.386	S	S	.	.	S	Bend	trans	62.1	23.1	176.1	-65.4	-43.2	0	0	0	116.2	T544 K545	N542-T544 PolarHBondContact O-N 2.72Å; N542-T544 VanDerWaalsContact O-N 3.14Å; N542-K545 HydrophobicContact CB-CD 3.82Å; N542-K545 HydrophobicContact CB-CG 4.06Å; N542-K545 VanDerWaalsContact CG-CE 3.42Å; N542-K545 PolarHBondContact ND2-NZ 2.98Å; N542-K545 VanDerWaalsContact ND2-NZ 3.16Å; N542-K545 WeakPolarHBondContact O-CB 3.2Å; N542-K545 PolarHBondContact O-N 2.82Å; N542-K545 VanDerWaalsContact O-N 3.11Å; N542-K545 WeakPolarHBondContact OD1-CE 3.37Å; N542-K545 PolarHBondContact OD1-NZ 3.18Å
543	C	86.8	Confident	84	Confident	15 Å²	15	62 Å²	62	10%	0.101	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-19.5	-178.3	-58	0	0	0	0	114.9	C528 I541 L563 K564	C528-C543 VanDerWaalsContact CA-SG 3.55Å; C528-C543 HydrophobicContact CB-CB 3.7Å; C528-C543 WeakPolarHBondContact CB-SG 3.49Å; C528-C543 WeakPolarHBondContact SG-CA 3.48Å; C528-C543 WeakPolarHBondContact SG-CB 3.44Å; C528-C543 CovalentContact SG-SG 2.03Å; C528-C543 PolarHBondContact SG-SG 2.98Å; I541-C543 VanDerWaalsContact C-N 3.28Å; I541-C543 PolarHBondContact O-N 3.11Å; C543-L563 WeakPolarHBondContact O-CA 3.31Å; C543-L563 PolarHBondContact O-N 3.41Å; C543-K564 HydrophobicContact CB-CB 4.01Å; C543-K564 PolarHBondContact O-N 3.24Å
544	T	87.2	Confident	84.2	Confident	70 Å²	70	60.9 Å²	60.9	43%	0.429	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	1.7	178.8	58.3	0	0	0	0	113.6	N542 I562 K564 D574	N542-T544 PolarHBondContact O-N 2.72Å; N542-T544 VanDerWaalsContact O-N 3.14Å; T544-I562 WeakPolarHBondContact O-CG2 3.4Å; T544-K564 HydrophobicContact CG2-CD 4.44Å; T544-D574 HydrophobicContact CG2-CB 3.86Å; T544-D574 VanDerWaalsContact CG2-OD1 3.31Å; T544-D574 WeakPolarHBondContact CG2-OD1 3.38Å
545	K	86.4	Confident	84.4	Confident	120 Å²	120	69.3 Å²	69.3	52%	0.522	39%	0.387	S	S	.	.	S	Bend	trans	-72.2	138.7	175.5	-72.3	-170.1	-180	161.8	0	110.9	N542 T547	N542-K545 HydrophobicContact CB-CD 3.82Å; N542-K545 HydrophobicContact CB-CG 4.06Å; N542-K545 VanDerWaalsContact CG-CE 3.42Å; N542-K545 PolarHBondContact ND2-NZ 2.98Å; N542-K545 VanDerWaalsContact ND2-NZ 3.16Å; N542-K545 WeakPolarHBondContact O-CB 3.2Å; N542-K545 PolarHBondContact O-N 2.82Å; N542-K545 VanDerWaalsContact O-N 3.11Å; N542-K545 WeakPolarHBondContact OD1-CE 3.37Å; N542-K545 PolarHBondContact OD1-NZ 3.18Å; K545-T547 PolarHBondContact O-N 3.11Å
546	E	85.1	Confident	84.8	Confident	92 Å²	92	63.5 Å²	63.5	43%	0.43	35%	0.346	S	S	.	.			trans	-58.8	132.7	174.4	-66	-179	162.5	0	0	110.7	S560 C561 R576	E546-S560 WeakPolarHBondContact OE1-CB 3.37Å; E546-C561 CarbonylContact C-O 2.95Å; E546-C561 WeakPolarHBondContact CA-O 3.28Å; E546-R576 VanDerWaalsContact CD-CZ 3.49Å; E546-R576 WeakPolarHBondContact OE1-CD 3.42Å; E546-R576 IonicContact OE1-CZ 3.72Å; E546-R576 IonicContact OE1-NE 2.8Å; E546-R576 IonicContact OE1-NH1 3.45Å; E546-R576 PolarHBondContact OE1-NH1 2.97Å; E546-R576 IonicContact OE2-CZ 3.36Å; E546-R576 IonicContact OE2-NH1 2.84Å; E546-R576 PolarHBondContact OE2-NH1 2.83Å; E546-R576 IonicContact OE2-NH2 3.78Å
547	T	85.9	Confident	85.1	Confident	47 Å²	47	66.6 Å²	66.6	29%	0.288	35%	0.349	S	S	.	.	B	Isolated β-bridge	trans	-139.3	174.4	-179.4	-171.5	0	0	0	0	109.6	K545 R553 C561 L563	K545-T547 PolarHBondContact O-N 3.11Å; T547-R553 HydrophobicContact CG2-CG 4.38Å; T547-R553 PolarHBondContact OG1-NH1 2.83Å; T547-C561 WeakPolarHBondContact CG2-O 3.42Å; T547-C561 PolarHBondContact N-O 3.18Å; T547-L563 HydrophobicContact CG2-CD2 4.18Å; T547-L563 HydrophobicContact CG2-CG 3.98Å
548	S	86.3	Confident	85.5	Confident	86 Å²	86	69.7 Å²	69.7	60%	0.601	37%	0.369	S	S	*	.			trans	-63.6	148.4	177	82	0	0	0	0	110.2	R553	S548-R553 WeakPolarHBondContact O-CD 3.2Å; S548-R553 PolarHBondContact O-NH1 2.99Å; S548-R553 PolarHBondContact OG-NH1 2.91Å
549	C	84.5	Confident	85.7	Confident	69 Å²	69	68.2 Å²	68.2	47%	0.466	37%	0.367	S	S	.	.			trans	-74	140.7	175.7	-66.6	0	0	0	0	111.3	C561	C549-C561 WeakPolarHBondContact CA-SG 3.38Å; C549-C561 HydrophobicContact CB-CB 3.97Å; C549-C561 WeakPolarHBondContact CB-SG 3.37Å; C549-C561 WeakPolarHBondContact SG-CB 3.26Å; C549-C561 CovalentContact SG-SG 2.04Å; C549-C561 PolarHBondContact SG-SG 3.39Å
550	S	81.9	Confident	86.1	Confident	40 Å²	40	69 Å²	69	28%	0.28	37%	0.373	S	S	.	.			trans	-150.3	171.6	171.1	72.8	0	0	0	0	109.7	I552 R553	S550-I552 VanDerWaalsContact C-N 3.28Å; S550-I552 PolarHBondContact O-N 3.42Å; S550-R553 PolarHBondContact O-N 2.78Å; S550-R553 VanDerWaalsContact O-N 3.14Å; S550-R553 VanDerWaalsContact OG-CD 3.32Å; S550-R553 WeakPolarHBondContact OG-CD 3.39Å; S550-R553 WeakPolarHBondContact OG-CG 3.17Å
551	G	75.5	Confident	86.3	Confident	54 Å²	54	66.6 Å²	66.6	56%	0.557	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-26.9	-175.4	0	0	0	0	0	115.3
552	I	76.3	Confident	86.6	Confident	58 Å²	58	62 Å²	62	30%	0.297	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-4.5	177.3	57.1	176.4	0	0	0	113.6	G496 L497 P524 S550	G496-I552 VanDerWaalsContact O-CG2 3.29Å; G496-I552 WeakPolarHBondContact O-CG2 3.44Å; L497-I552 HydrophobicContact CD2-CB 4.24Å; L497-I552 HydrophobicContact CD2-CG1 4.11Å; L497-I552 HydrophobicContact CD2-CG2 3.64Å; L497-I552 HydrophobicContact CG-CG2 4.21Å; P524-I552 HydrophobicContact CB-CD1 4.34Å; S550-I552 VanDerWaalsContact C-N 3.28Å; S550-I552 PolarHBondContact O-N 3.42Å
553	R	85.4	Confident	86.7	Confident	58 Å²	58	60.4 Å²	60.4	22%	0.219	33%	0.329	C	S	.	.	S	Bend	trans	-98.7	140.9	-177	-70.8	173.7	177	172.5	4.7	110.5	T547 S548 S550 C561 I562 L563	T547-R553 HydrophobicContact CG2-CG 4.38Å; T547-R553 PolarHBondContact OG1-NH1 2.83Å; S548-R553 WeakPolarHBondContact O-CD 3.2Å; S548-R553 PolarHBondContact O-NH1 2.99Å; S548-R553 PolarHBondContact OG-NH1 2.91Å; S550-R553 PolarHBondContact O-N 2.78Å; S550-R553 VanDerWaalsContact O-N 3.14Å; S550-R553 VanDerWaalsContact OG-CD 3.32Å; S550-R553 WeakPolarHBondContact OG-CD 3.39Å; S550-R553 WeakPolarHBondContact OG-CG 3.17Å; R553-C561 HydrophobicContact CB-CB 4.25Å; R553-I562 WeakPolarHBondContact CB-O 3.22Å; R553-L563 HydrophobicContact CG-CD2 4.13Å
554	Y	88.1	Confident	86.6	Confident	17 Å²	17	61.9 Å²	61.9	7%	0.067	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	132	175.2	-174.5	-99.9	0	0	0	109.8	C561 I562 A567 K568 D580 P717	Y554-C561 CarbonylContact O-C 3.49Å; Y554-C561 WeakPolarHBondContact O-CA 3.4Å; Y554-I562 HydrophobicContact CD1-CD1 4.13Å; Y554-I562 HydrophobicContact CD1-CG1 4.12Å; Y554-I562 HydrophobicContact CG-CG1 4.49Å; Y554-I562 PolarHBondContact N-O 3.34Å; Y554-I562 VanDerWaalsContact N-O 3.12Å; Y554-I562 PolarHBondContact O-N 3.21Å; Y554-A567 HydrophobicContact CD1-CB 4.05Å; Y554-A567 HydrophobicContact CG-CB 4.03Å; Y554-K568 HydrophobicContact CE2-CB 3.81Å; Y554-D580 HydrophobicContact CE1-CB 3.8Å; Y554-P717 HydrophobicContact CD2-CB 4.23Å; Y554-P717 HydrophobicContact CD2-CG 4.1Å; Y554-P717 HydrophobicContact CE2-CB 3.92Å; Y554-P717 HydrophobicContact CE2-CG 3.87Å
555	R	90.5	Very high	86.5	Confident	179 Å²	179	61.3 Å²	61.3	68%	0.675	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.2	115.9	-178.7	-178.3	177.3	179	-176.9	0.3	110.3
556	C	90.6	Very high	86.5	Confident	3 Å²	3	56.8 Å²	56.8	2%	0.02	31%	0.307	C	S	.	.			trans	-70.9	159	173.5	-53.4	0	0	0	0	111.1	S558 G559 S560 C575	C556-S558 VanDerWaalsContact C-N 3.26Å; C556-S558 PolarHBondContact O-N 3.28Å; C556-G559 PolarHBondContact O-N 3.32Å; C556-S560 WeakPolarHBondContact CB-O 3.23Å; C556-S560 PolarHBondContact N-O 3.4Å; C556-C575 HydrophobicContact CB-CB 3.78Å; C556-C575 WeakPolarHBondContact CB-SG 3.49Å; C556-C575 WeakPolarHBondContact SG-CB 3.44Å; C556-C575 CovalentContact SG-SG 2.04Å; C556-C575 PolarHBondContact SG-SG 2.91Å
557	R	90.6	Very high	86.6	Confident	176 Å²	176	52.4 Å²	52.4	66%	0.664	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-33.1	178.9	-171.4	-176	-63.6	152.8	6.8	112.5	G559 S579 D582	R557-G559 PolarHBondContact O-N 2.98Å; R557-S579 PolarHBondContact N-OG 2.99Å; R557-D582 IonicContact CZ-OD2 2.75Å; R557-D582 IonicContact NH1-OD2 3.62Å; R557-D582 PolarHBondContact NH1-OD2 3.47Å; R557-D582 IonicContact NH2-OD2 3.79Å; R557-D582 PolarHBondContact NH2-OD2 3.34Å
558	S	89.3	Confident	86.7	Confident	74 Å²	74	51.8 Å²	51.8	52%	0.517	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-15	172.7	58.1	0	0	0	0	114.4	C556 S560 D577	C556-S558 VanDerWaalsContact C-N 3.26Å; C556-S558 PolarHBondContact O-N 3.28Å; S558-S560 PolarHBondContact OG-OG 3.22Å; S558-D577 WeakPolarHBondContact CA-OD2 3.21Å; S558-D577 WeakPolarHBondContact CB-OD2 3.3Å; S558-D577 PolarHBondContact N-OD2 2.86Å; S558-D577 PolarHBondContact OG-OD2 2.91Å
559	G	88.7	Confident	86.8	Confident	32 Å²	32	47.7 Å²	47.7	33%	0.33	25%	0.252	S	S	.	.	S	Bend	trans	94.5	-4.1	-178.8	0	0	0	0	0	114.9	C556 R557	C556-G559 PolarHBondContact O-N 3.32Å; R557-G559 PolarHBondContact O-N 2.98Å
560	S	92.1	Very high	86.8	Confident	21 Å²	21	45.7 Å²	45.7	15%	0.147	24%	0.236	C	C	.	.			trans	-76.1	156.4	169.4	63.9	0	0	0	0	111.7	E546 C556 S558	E546-S560 WeakPolarHBondContact OE1-CB 3.37Å; C556-S560 WeakPolarHBondContact CB-O 3.23Å; C556-S560 PolarHBondContact N-O 3.4Å; S558-S560 PolarHBondContact OG-OG 3.22Å
561	C	91.1	Very high	86.9	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.014	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	143.4	-179.8	-73.4	0	0	0	0	111.9	E546 T547 C549 R553 Y554	E546-C561 CarbonylContact C-O 2.95Å; E546-C561 WeakPolarHBondContact CA-O 3.28Å; T547-C561 WeakPolarHBondContact CG2-O 3.42Å; T547-C561 PolarHBondContact N-O 3.18Å; C549-C561 WeakPolarHBondContact CA-SG 3.38Å; C549-C561 HydrophobicContact CB-CB 3.97Å; C549-C561 WeakPolarHBondContact CB-SG 3.37Å; C549-C561 WeakPolarHBondContact SG-CB 3.26Å; C549-C561 CovalentContact SG-SG 2.04Å; C549-C561 PolarHBondContact SG-SG 3.39Å; R553-C561 HydrophobicContact CB-CB 4.25Å; Y554-C561 CarbonylContact O-C 3.49Å; Y554-C561 WeakPolarHBondContact O-CA 3.4Å
562	I	90.9	Very high	87.5	Confident	3 Å²	3	49.4 Å²	49.4	2%	0.015	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	161.4	-180	63.1	174	0	0	0	111.1	T544 R553 Y554 K564 A567 D574	T544-I562 WeakPolarHBondContact O-CG2 3.4Å; R553-I562 WeakPolarHBondContact CB-O 3.22Å; Y554-I562 HydrophobicContact CD1-CD1 4.13Å; Y554-I562 HydrophobicContact CD1-CG1 4.12Å; Y554-I562 HydrophobicContact CG-CG1 4.49Å; Y554-I562 PolarHBondContact N-O 3.34Å; Y554-I562 VanDerWaalsContact N-O 3.12Å; Y554-I562 PolarHBondContact O-N 3.21Å; I562-K564 HydrophobicContact CD1-CB 4.35Å; I562-A567 HydrophobicContact CD1-CB 3.91Å; I562-D574 HydrophobicContact CD1-CB 3.47Å; I562-D574 VanDerWaalsContact CD1-CB 3.47Å
563	L	86.6	Confident	88.1	Confident	53 Å²	53	50.8 Å²	50.8	28%	0.277	26%	0.255	S	S	.	.			trans	-88.7	-21.7	-177.1	-71.9	169.9	0	0	0	113.7	C528 C543 T547 R553 K565	C528-L563 HydrophobicContact CB-CB 4.13Å; C543-L563 WeakPolarHBondContact O-CA 3.31Å; C543-L563 PolarHBondContact O-N 3.41Å; T547-L563 HydrophobicContact CG2-CD2 4.18Å; T547-L563 HydrophobicContact CG2-CG 3.98Å; R553-L563 HydrophobicContact CG-CD2 4.13Å; L563-K565 PolarHBondContact O-N 3.17Å
564	K	86.1	Confident	88.3	Confident	45 Å²	45	48.8 Å²	48.8	20%	0.196	25%	0.249	C	C	.	.			trans	-56.9	122.2	-179.7	-174.5	172.7	166.4	-158	0	110.6	C543 T544 I562 A567 D570 D574	C543-K564 HydrophobicContact CB-CB 4.01Å; C543-K564 PolarHBondContact O-N 3.24Å; T544-K564 HydrophobicContact CG2-CD 4.44Å; I562-K564 HydrophobicContact CD1-CB 4.35Å; K564-A567 HydrophobicContact CB-CB 4.4Å; K564-A567 HydrophobicContact CD-CB 4.44Å; K564-A567 HydrophobicContact CG-CB 4.32Å; K564-D570 WeakPolarHBondContact CE-OD2 3.07Å; K564-D570 IonicContact NZ-OD1 3.65Å; K564-D570 IonicContact NZ-OD2 2.65Å; K564-D570 PolarHBondContact NZ-OD2 2.81Å; K564-D574 VanDerWaalsContact CD-CG 3.5Å; K564-D574 VanDerWaalsContact CD-OD1 3.3Å; K564-D574 WeakPolarHBondContact CD-OD1 3.42Å; K564-D574 WeakPolarHBondContact CD-OD2 3.13Å; K564-D574 VanDerWaalsContact CE-OD2 3.29Å; K564-D574 WeakPolarHBondContact CE-OD2 3.32Å; K564-D574 IonicContact NZ-OD1 3.85Å; K564-D574 PolarHBondContact NZ-OD1 3.1Å; K564-D574 IonicContact NZ-OD2 2.67Å; K564-D574 PolarHBondContact NZ-OD2 2.85Å
565	K	83.7	Confident	88.5	Confident	58 Å²	58	48.3 Å²	48.3	25%	0.252	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	145.8	174.4	-66.2	-175.8	-170.1	170.2	0	109.9	L525 N529 L563 A567 T721	L525-K565 PolarHBondContact O-NZ 2.91Å; N529-K565 HydrophobicContact CB-CD 4.42Å; L563-K565 PolarHBondContact O-N 3.17Å; K565-A567 PolarHBondContact O-N 3.44Å; K565-A567 VanDerWaalsContact O-N 3.17Å; K565-T721 HydrophobicContact CD-CG2 4.44Å
566	N	86.7	Confident	88.5	Confident	25 Å²	25	49.3 Å²	49.3	13%	0.134	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	27.9	176.4	-59.4	-17.2	0	0	0	115.8	K568 H720 T721	N566-K568 PolarHBondContact O-N 3.05Å; N566-H720 VanDerWaalsContact OD1-CA 3.28Å; N566-H720 WeakPolarHBondContact OD1-CA 3.5Å; N566-H720 PolarHBondContact OD1-CD2 3.33Å; N566-H720 VanDerWaalsContact OD1-CG 3.26Å; N566-T721 PolarHBondContact ND2-O 2.99Å; N566-T721 PolarHBondContact OD1-N 3.15Å; N566-T721 PolarHBondContact OD1-O 2.63Å
567	A	88.3	Confident	88.5	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.266	C	S	.	.			trans	-61.1	-3.5	-178.9	0	0	0	0	0	116.3	Y554 I562 K564 K565 D574 D580	Y554-A567 HydrophobicContact CD1-CB 4.05Å; Y554-A567 HydrophobicContact CG-CB 4.03Å; I562-A567 HydrophobicContact CD1-CB 3.91Å; K564-A567 HydrophobicContact CB-CB 4.4Å; K564-A567 HydrophobicContact CD-CB 4.44Å; K564-A567 HydrophobicContact CG-CB 4.32Å; K565-A567 PolarHBondContact O-N 3.44Å; K565-A567 VanDerWaalsContact O-N 3.17Å; A567-D574 WeakPolarHBondContact CB-OD2 3.46Å; A567-D580 WeakPolarHBondContact O-CB 3.42Å
568	K	88.4	Confident	88.5	Confident	34 Å²	34	46.9 Å²	46.9	15%	0.148	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	125.6	-176.6	-176.4	-179.9	-179.7	-176.3	0	110.4	Y554 N566 D570 L715 P717 F803	Y554-K568 HydrophobicContact CE2-CB 3.81Å; N566-K568 PolarHBondContact O-N 3.05Å; K568-D570 VanDerWaalsContact C-N 3.26Å; K568-D570 PolarHBondContact O-N 2.84Å; K568-L715 PolarHBondContact NZ-O 3.36Å; K568-P717 HydrophobicContact CB-CG 4.19Å; K568-P717 HydrophobicContact CD-CG 4.41Å; K568-F803 WeakPolarHBondContact O-CZ 3.43Å
569	C	87.1	Confident	88.6	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.007	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	39.5	174.4	-60.5	0	0	0	0	113.2	D571 D580 E581 C584 R801 F803	C569-D571 VanDerWaalsContact C-N 3.34Å; C569-D580 PolarHBondContact N-O 3.07Å; C569-E581 WeakPolarHBondContact CA-OE1 3.35Å; C569-E581 WeakPolarHBondContact CA-OE2 3.4Å; C569-E581 PolarHBondContact N-OE1 2.86Å; C569-C584 WeakPolarHBondContact CA-SG 3.28Å; C569-C584 HydrophobicContact CB-CB 3.7Å; C569-C584 WeakPolarHBondContact CB-SG 3.48Å; C569-C584 WeakPolarHBondContact SG-CA 3.27Å; C569-C584 WeakPolarHBondContact SG-CB 3.32Å; C569-C584 CovalentContact SG-SG 2.04Å; C569-C584 PolarHBondContact SG-SG 2.94Å; C569-R801 VanDerWaalsContact O-CD 3.23Å; C569-R801 WeakPolarHBondContact O-CD 3.46Å; C569-R801 PolarHBondContact O-NE 2.96Å; C569-F803 HydrophobicContact CB-CZ 4.36Å
570	D	84.4	Confident	88.6	Confident	27 Å²	27	42.4 Å²	42.4	14%	0.144	22%	0.215	C	C	.	.	S	Bend	trans	-98.8	15.3	178	79.2	-8	0	0	0	112.7	K564 K568 V572 E581 D798	K564-D570 WeakPolarHBondContact CE-OD2 3.07Å; K564-D570 IonicContact NZ-OD1 3.65Å; K564-D570 IonicContact NZ-OD2 2.65Å; K564-D570 PolarHBondContact NZ-OD2 2.81Å; K568-D570 VanDerWaalsContact C-N 3.26Å; K568-D570 PolarHBondContact O-N 2.84Å; D570-V572 PolarHBondContact O-N 2.87Å; D570-V572 VanDerWaalsContact O-N 3.15Å; D570-V572 WeakPolarHBondContact OD1-CB 3.06Å; D570-V572 PolarHBondContact OD1-N 2.98Å; D570-E581 PolarHBondContact N-OE1 2.6Å; D570-D798 WeakPolarHBondContact CA-OD2 3.5Å
571	D	84.7	Confident	88.5	Confident	103 Å²	103	43 Å²	43	55%	0.551	22%	0.215	S	C	*	.	S	Bend	trans	62.3	13.2	-179.4	-58.2	-36.4	0	0	0	113.7	C569 E581 R801	C569-D571 VanDerWaalsContact C-N 3.34Å; D571-E581 VanDerWaalsContact CA-OE2 3.26Å; D571-E581 WeakPolarHBondContact CA-OE2 3.36Å; D571-E581 PolarHBondContact N-OE2 3.35Å; D571-R801 IonicContact OD1-CZ 2.69Å; D571-R801 IonicContact OD1-NE 3.88Å; D571-R801 IonicContact OD1-NH2 3.06Å; D571-R801 PolarHBondContact OD1-NH2 3.04Å
572	V	87	Confident	88.3	Confident	69 Å²	69	45.6 Å²	45.6	42%	0.418	23%	0.229	S	C	.	.	S	Bend	trans	-120.8	122	176.7	-178.3	0	0	0	0	110.6	D570 D574	D570-V572 PolarHBondContact O-N 2.87Å; D570-V572 VanDerWaalsContact O-N 3.15Å; D570-V572 WeakPolarHBondContact OD1-CB 3.06Å; D570-V572 PolarHBondContact OD1-N 2.98Å; V572-D574 PolarHBondContact O-N 2.86Å
573	P	89.8	Confident	87.8	Confident	86 Å²	86	52 Å²	52	56%	0.558	26%	0.264	S	S	*	.			trans	-74.6	99.4	176.4	31.9	-36	0	0	0	111.2	N578	P573-N578 WeakPolarHBondContact CB-OD1 3.46Å
574	D	90.2	Very high	87.8	Confident	16 Å²	16	50.3 Å²	50.3	9%	0.086	26%	0.256	C	S	.	.			trans	-94.4	-35.9	176.4	-56.1	-58.1	0	0	0	112.7	T544 I562 K564 A567 V572 D580	T544-D574 HydrophobicContact CG2-CB 3.86Å; T544-D574 VanDerWaalsContact CG2-OD1 3.31Å; T544-D574 WeakPolarHBondContact CG2-OD1 3.38Å; I562-D574 HydrophobicContact CD1-CB 3.47Å; I562-D574 VanDerWaalsContact CD1-CB 3.47Å; K564-D574 VanDerWaalsContact CD-CG 3.5Å; K564-D574 VanDerWaalsContact CD-OD1 3.3Å; K564-D574 WeakPolarHBondContact CD-OD1 3.42Å; K564-D574 WeakPolarHBondContact CD-OD2 3.13Å; K564-D574 VanDerWaalsContact CE-OD2 3.29Å; K564-D574 WeakPolarHBondContact CE-OD2 3.32Å; K564-D574 IonicContact NZ-OD1 3.85Å; K564-D574 PolarHBondContact NZ-OD1 3.1Å; K564-D574 IonicContact NZ-OD2 2.67Å; K564-D574 PolarHBondContact NZ-OD2 2.85Å; A567-D574 WeakPolarHBondContact CB-OD2 3.46Å; V572-D574 PolarHBondContact O-N 2.86Å; D574-D580 VanDerWaalsContact CA-OD2 3.29Å; D574-D580 WeakPolarHBondContact CA-OD2 2.96Å; D574-D580 VanDerWaalsContact CB-OD2 3.24Å; D574-D580 WeakPolarHBondContact CB-OD2 3.26Å; D574-D580 PolarHBondContact N-OD2 2.78Å
575	C	91.1	Very high	87.8	Confident	8 Å²	8	50.5 Å²	50.5	5%	0.054	27%	0.266	C	S	.	.	S	Bend	trans	-77.8	139.2	175.6	-71.6	0	0	0	0	111	C556 D577 N578 D580	C556-C575 HydrophobicContact CB-CB 3.78Å; C556-C575 WeakPolarHBondContact CB-SG 3.49Å; C556-C575 WeakPolarHBondContact SG-CB 3.44Å; C556-C575 CovalentContact SG-SG 2.04Å; C556-C575 PolarHBondContact SG-SG 2.91Å; C575-D577 VanDerWaalsContact CB-OD1 3.23Å; C575-D577 WeakPolarHBondContact CB-OD1 3.31Å; C575-D577 PolarHBondContact O-N 3.16Å; C575-D577 VanDerWaalsContact O-N 3.13Å; C575-N578 PolarHBondContact O-N 2.93Å; C575-D580 HydrophobicContact CB-CB 4.3Å; C575-D580 WeakPolarHBondContact CB-OD1 3.34Å; C575-D580 PolarHBondContact N-OD2 3.34Å
576	R	90.8	Very high	88.1	Confident	200 Å²	200	48.4 Å²	48.4	76%	0.755	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-28.7	176.7	-74.1	-173.7	176.2	155.4	0.9	113.8	E546	E546-R576 VanDerWaalsContact CD-CZ 3.49Å; E546-R576 WeakPolarHBondContact OE1-CD 3.42Å; E546-R576 IonicContact OE1-CZ 3.72Å; E546-R576 IonicContact OE1-NE 2.8Å; E546-R576 IonicContact OE1-NH1 3.45Å; E546-R576 PolarHBondContact OE1-NH1 2.97Å; E546-R576 IonicContact OE2-CZ 3.36Å; E546-R576 IonicContact OE2-NH1 2.84Å; E546-R576 PolarHBondContact OE2-NH1 2.83Å; E546-R576 IonicContact OE2-NH2 3.78Å
577	D	90.9	Very high	88.1	Confident	58 Å²	58	47.2 Å²	47.2	31%	0.31	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	5.2	178.8	65.3	-9.7	0	0	0	113.3	S558 C575 S579	S558-D577 WeakPolarHBondContact CA-OD2 3.21Å; S558-D577 WeakPolarHBondContact CB-OD2 3.3Å; S558-D577 PolarHBondContact N-OD2 2.86Å; S558-D577 PolarHBondContact OG-OD2 2.91Å; C575-D577 VanDerWaalsContact CB-OD1 3.23Å; C575-D577 WeakPolarHBondContact CB-OD1 3.31Å; C575-D577 PolarHBondContact O-N 3.16Å; C575-D577 VanDerWaalsContact O-N 3.13Å; D577-S579 PolarHBondContact O-N 2.92Å; D577-S579 VanDerWaalsContact O-N 3.12Å; D577-S579 VanDerWaalsContact OD1-CB 3.26Å; D577-S579 WeakPolarHBondContact OD1-CB 3.47Å; D577-S579 PolarHBondContact OD1-N 3.14Å; D577-S579 PolarHBondContact OD1-OG 2.88Å; D577-S579 PolarHBondContact OD2-OG 2.87Å
578	N	90.7	Very high	88.1	Confident	70 Å²	70	50.5 Å²	50.5	37%	0.374	27%	0.269	S	S	.	.			trans	57.6	21.4	-178.2	-160.1	84.1	0	0	0	113.8	P573 C575 D580 E581	P573-N578 WeakPolarHBondContact CB-OD1 3.46Å; C575-N578 PolarHBondContact O-N 2.93Å; N578-D580 VanDerWaalsContact C-N 3.26Å; N578-D580 WeakPolarHBondContact CA-OD1 3.39Å; N578-D580 PolarHBondContact O-N 3.1Å; N578-E581 PolarHBondContact O-N 3.02Å
579	S	91.4	Very high	87.5	Confident	11 Å²	11	51.2 Å²	51.2	8%	0.077	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-14.4	-174.4	59.3	0	0	0	0	114.6	R557 D577	R557-S579 PolarHBondContact N-OG 2.99Å; D577-S579 PolarHBondContact O-N 2.92Å; D577-S579 VanDerWaalsContact O-N 3.12Å; D577-S579 VanDerWaalsContact OD1-CB 3.26Å; D577-S579 WeakPolarHBondContact OD1-CB 3.47Å; D577-S579 PolarHBondContact OD1-N 3.14Å; D577-S579 PolarHBondContact OD1-OG 2.88Å; D577-S579 PolarHBondContact OD2-OG 2.87Å
580	D	88.5	Confident	86.6	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-32.7	170.2	50.7	-26.1	0	0	0	113.7	Y554 A567 C569 D574 C575 N578	Y554-D580 HydrophobicContact CE1-CB 3.8Å; A567-D580 WeakPolarHBondContact O-CB 3.42Å; C569-D580 PolarHBondContact N-O 3.07Å; D574-D580 VanDerWaalsContact CA-OD2 3.29Å; D574-D580 WeakPolarHBondContact CA-OD2 2.96Å; D574-D580 VanDerWaalsContact CB-OD2 3.24Å; D574-D580 WeakPolarHBondContact CB-OD2 3.26Å; D574-D580 PolarHBondContact N-OD2 2.78Å; C575-D580 HydrophobicContact CB-CB 4.3Å; C575-D580 WeakPolarHBondContact CB-OD1 3.34Å; C575-D580 PolarHBondContact N-OD2 3.34Å; N578-D580 VanDerWaalsContact C-N 3.26Å; N578-D580 WeakPolarHBondContact CA-OD1 3.39Å; N578-D580 PolarHBondContact O-N 3.1Å
581	E	89.8	Confident	85.6	Confident	33 Å²	33	53.9 Å²	53.9	15%	0.154	30%	0.299	C	S	.	.	S	Bend	trans	-102.1	9.1	179.6	-62.7	-53.6	119.3	0	0	113.6	C569 D570 D571 N578 C584	C569-E581 WeakPolarHBondContact CA-OE1 3.35Å; C569-E581 WeakPolarHBondContact CA-OE2 3.4Å; C569-E581 PolarHBondContact N-OE1 2.86Å; D570-E581 PolarHBondContact N-OE1 2.6Å; D571-E581 VanDerWaalsContact CA-OE2 3.26Å; D571-E581 WeakPolarHBondContact CA-OE2 3.36Å; D571-E581 PolarHBondContact N-OE2 3.35Å; N578-E581 PolarHBondContact O-N 3.02Å; E581-C584 VanDerWaalsContact C-SG 3.51Å; E581-C584 PolarHBondContact O-SG 3.19Å
582	D	86.6	Confident	84.2	Confident	57 Å²	57	53.8 Å²	53.8	31%	0.305	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	145.2	173	-84.2	-7.9	0	0	0	111.7	R557 C584	R557-D582 IonicContact CZ-OD2 2.75Å; R557-D582 IonicContact NH1-OD2 3.62Å; R557-D582 PolarHBondContact NH1-OD2 3.47Å; R557-D582 IonicContact NH2-OD2 3.79Å; R557-D582 PolarHBondContact NH2-OD2 3.34Å; D582-C584 VanDerWaalsContact C-N 3.33Å; D582-C584 PolarHBondContact O-N 2.68Å
583	D	81.9	Confident	82.4	Confident	138 Å²	138	60.9 Å²	60.9	74%	0.738	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	38.8	175.1	-164.2	29.2	0	0	0	114.7	A585	D583-A585 PolarHBondContact O-N 3.1Å
584	C	84.9	Confident	80.2	Confident	17 Å²	17	66.2 Å²	66.2	12%	0.115	33%	0.332	C	S	.	.			trans	-87.1	24.7	178.9	-58.7	0	0	0	0	113.5	C569 E581 D582 C586 R801	C569-C584 WeakPolarHBondContact CA-SG 3.28Å; C569-C584 HydrophobicContact CB-CB 3.7Å; C569-C584 WeakPolarHBondContact CB-SG 3.48Å; C569-C584 WeakPolarHBondContact SG-CA 3.27Å; C569-C584 WeakPolarHBondContact SG-CB 3.32Å; C569-C584 CovalentContact SG-SG 2.04Å; C569-C584 PolarHBondContact SG-SG 2.94Å; E581-C584 VanDerWaalsContact C-SG 3.51Å; E581-C584 PolarHBondContact O-SG 3.19Å; D582-C584 VanDerWaalsContact C-N 3.33Å; D582-C584 PolarHBondContact O-N 2.68Å; C584-C586 PolarHBondContact O-N 2.87Å; C584-R801 PolarHBondContact O-NH1 3.12Å
585	A	86.4	Confident	77.7	Confident	49 Å²	49	71 Å²	71	41%	0.405	36%	0.362	S	S	.	.			trans	-82	52.5	178.7	0	0	0	0	0	112.2	D583 W707	D583-A585 PolarHBondContact O-N 3.1Å; A585-W707 HydrophobicContact CB-CH2 4.26Å; A585-W707 HydrophobicContact CB-CZ2 4.47Å
586	C	89.9	Confident	75.5	Confident	14 Å²	14	74.4 Å²	74.4	10%	0.095	40%	0.397	C	S	.	.			trans	-148.1	164.3	-174.2	59.9	0	0	0	0	112	C584 L588 P712 C714	C584-C586 PolarHBondContact O-N 2.87Å; C586-L588 VanDerWaalsContact C-N 3.29Å; C586-L588 PolarHBondContact O-N 2.87Å; C586-P712 CarbonylContact C-O 3.48Å; C586-P712 WeakPolarHBondContact CA-O 3.23Å; C586-P712 HydrophobicContact CB-CG 4.2Å; C586-C714 HydrophobicContact CB-CB 4.04Å; C586-C714 WeakPolarHBondContact CB-SG 3.23Å; C586-C714 PolarHBondContact O-SG 3.43Å; C586-C714 WeakPolarHBondContact SG-CA 3.19Å; C586-C714 WeakPolarHBondContact SG-CB 3.37Å; C586-C714 CovalentContact SG-SG 2.04Å; C586-C714 PolarHBondContact SG-SG 3.08Å
587	G	87.9	Confident	72.8	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	40%	0.4	C	S	.	.			trans	68	22.2	166.4	0	0	0	0	0	115.1	P589 P712 R801 W802	G587-P589 WeakPolarHBondContact O-CD 3.29Å; G587-P712 PolarHBondContact N-O 3.23Å; G587-R801 WeakPolarHBondContact O-CA 3.39Å; G587-W802 WeakPolarHBondContact CA-O 3.42Å; G587-W802 PolarHBondContact O-N 2.68Å
588	L	87.2	Confident	70.1	Confident	69 Å²	69	73.6 Å²	73.6	36%	0.361	42%	0.422	S	S	.	.			trans	-103.9	108.3	-177.8	-63.6	172.9	0	0	0	111.1	C586 Q711 R801	C586-L588 VanDerWaalsContact C-N 3.29Å; C586-L588 PolarHBondContact O-N 2.87Å; L588-Q711 PolarHBondContact O-OE1 2.71Å; L588-R801 HydrophobicContact CD2-CG 4.05Å
589	P	76.4	Confident	67.6	Low	49 Å²	49	75.9 Å²	75.9	32%	0.318	44%	0.444	S	S	.	.			trans	-71.3	132.6	173.8	28.9	-33.2	0	0	0	110.1	G587 P591 E614	G587-P589 WeakPolarHBondContact O-CD 3.29Å; P589-P591 VanDerWaalsContact C-CD 3.45Å; P589-P591 WeakPolarHBondContact O-CD 3.34Å; P589-E614 VanDerWaalsContact CB-O 3.23Å; P589-E614 WeakPolarHBondContact CB-O 3.4Å
590	A	68.9	Low	64.8	Low	33 Å²	33	78.6 Å²	78.6	27%	0.273	47%	0.473	S	S	.	.			trans	-122	69.4	-179.3	0	0	0	0	0	111.2	L592 G613	A590-L592 PolarHBondContact O-N 2.95Å; A590-L592 VanDerWaalsContact O-N 3.07Å; A590-G613 CarbonylContact C-O 3.49Å; A590-G613 PolarHBondContact N-O 3.02Å
591	P	62.7	Low	62.5	Low	52 Å²	52	87.3 Å²	87.3	34%	0.338	52%	0.518	S	S	.	.			trans	-62.4	117	178.8	24.6	-31.6	0	0	0	110	P589 R593	P589-P591 VanDerWaalsContact C-CD 3.45Å; P589-P591 WeakPolarHBondContact O-CD 3.34Å; P591-R593 PolarHBondContact O-N 3.09Å
592	L	55.4	Low	59.6	Low	101 Å²	101	92 Å²	92	53%	0.529	55%	0.545	S	S	.	.	S	Bend	trans	-68.6	-3.1	-177.2	-70.5	172.6	0	0	0	113.8	A590 P708 L709	A590-L592 PolarHBondContact O-N 2.95Å; A590-L592 VanDerWaalsContact O-N 3.07Å; L592-P708 HydrophobicContact CD2-CB 4.15Å; L592-L709 HydrophobicContact CD1-CD2 3.73Å; L592-L709 HydrophobicContact CD1-CG 4.49Å
593	R	50	Low	57.3	Low	217 Å²	217	100.8 Å²	100.8	82%	0.819	57%	0.574	S	S	*	*			trans	-140.7	96.7	175.7	-77.4	-172.1	167.5	-173.4	-3.2	112.1	P591 V595	P591-R593 PolarHBondContact O-N 3.09Å; R593-V595 HydrophobicContact CB-CG2 4.39Å; R593-V595 PolarHBondContact O-N 2.02Å
594	K	43.7	Very low	55.2	Low	198 Å²	198	97.6 Å²	97.6	86%	0.861	56%	0.556	S	S	*	*			trans	-83.4	82.2	152.5	-78.4	-175.3	178.9	178.3	0	108.1
595	V	37.3	Very low	52.7	Low	118 Å²	118	100.8 Å²	100.8	72%	0.715	58%	0.575	S	S	*	*			trans	-84.1	118	163.7	179.8	0	0	0	0	106.2	R593 S597	R593-V595 HydrophobicContact CB-CG2 4.39Å; R593-V595 PolarHBondContact O-N 2.02Å; V595-S597 PolarHBondContact O-N 2.82Å
596	G	43.4	Very low	51.2	Low	78 Å²	78	99.6 Å²	99.6	80%	0.804	57%	0.567	S	S	*	*			trans	-53.4	122.2	-178.4	0	0	0	0	0	111.6
597	S	34	Very low	49.9	Very low	115 Å²	115	100.3 Å²	100.3	80%	0.804	58%	0.576	S	S	*	*			trans	-129.2	101.3	159.9	-163.9	0	0	0	0	107.9	V595	V595-S597 PolarHBondContact O-N 2.82Å
598	T	35.5	Very low	49.6	Very low	126 Å²	126	102.9 Å²	102.9	77%	0.773	59%	0.592	S	S	*	*			trans	-58.3	144.4	156.2	37.6	0	0	0	0	109.8
599	S	38.3	Very low	49.5	Very low	119 Å²	119	103.4 Å²	103.4	83%	0.832	60%	0.595	S	S	*	*			trans	58.1	112.1	162.4	59.8	0	0	0	0	118.9
600	G	31.4	Very low	50	Low	67 Å²	67	101.4 Å²	101.4	69%	0.691	58%	0.582	S	S	*	*			trans	160.3	90.3	160.2	0	0	0	0	0	112.5	D602	G600-D602 PolarHBondContact O-N 2.66Å
601	L	40.1	Very low	51	Low	183 Å²	183	105.5 Å²	105.5	96%	0.958	60%	0.596	S	S	*	*			trans	-65.2	80.9	157.9	-85.8	157.4	0	0	0	107.5	R603	L601-R603 PolarHBondContact O-N 2.96Å; L601-R603 VanDerWaalsContact O-N 3.14Å
602	D	30.5	Very low	52.1	Low	132 Å²	132	106.7 Å²	106.7	71%	0.706	60%	0.597	S	S	*	*			trans	-70.3	109.5	164.7	-85.3	-20.7	0	0	0	107.2	G600 I604	G600-D602 PolarHBondContact O-N 2.66Å; D602-I604 VanDerWaalsContact C-N 3.34Å; D602-I604 HydrophobicContact CB-CD1 3.74Å; D602-I604 HydrophobicContact CB-CG1 3.71Å; D602-I604 WeakPolarHBondContact O-CG1 3.42Å; D602-I604 PolarHBondContact O-N 2.9Å
603	R	36.7	Very low	53.4	Low	241 Å²	241	102.4 Å²	102.4	91%	0.909	58%	0.577	S	S	*	*			trans	-71.2	89.6	171.7	-168	-177.9	87.2	140.8	7	107.9	L601	L601-R603 PolarHBondContact O-N 2.96Å; L601-R603 VanDerWaalsContact O-N 3.14Å
604	I	38.6	Very low	55.3	Low	72 Å²	72	93.6 Å²	93.6	37%	0.369	55%	0.545	S	S	.	.			trans	-103	133	-172.2	-58.5	166	0	0	0	111	D602 V608 R781	D602-I604 VanDerWaalsContact C-N 3.34Å; D602-I604 HydrophobicContact CB-CD1 3.74Å; D602-I604 HydrophobicContact CB-CG1 3.71Å; D602-I604 WeakPolarHBondContact O-CG1 3.42Å; D602-I604 PolarHBondContact O-N 2.9Å; I604-V608 HydrophobicContact CB-CG2 4.38Å; I604-V608 HydrophobicContact CD1-CG2 4.2Å; I604-V608 HydrophobicContact CG2-CG2 3.73Å; I604-R781 PolarHBondContact O-NH2 2.61Å
605	V	31.9	Very low	57.6	Low	84 Å²	84	85 Å²	85	51%	0.509	51%	0.507	S	S	.	.			trans	-113.3	134.6	177.1	-178.7	0	0	0	0	107.5	E780	V605-E780 HydrophobicContact CG1-CB 3.81Å; V605-E780 VanDerWaalsContact CG1-CD 3.48Å; V605-E780 HydrophobicContact CG1-CG 3.84Å; V605-E780 WeakPolarHBondContact CG1-OE2 3.23Å
606	G	55.5	Low	60.3	Low	24 Å²	24	79.5 Å²	79.5	25%	0.247	47%	0.474	C	S	.	.	S	Bend	trans	81.3	153.5	-171	0	0	0	0	0	114
607	G	63.1	Low	62.8	Low	28 Å²	28	75.8 Å²	75.8	29%	0.289	44%	0.435	S	S	.	.			trans	-53.9	146	-173.8	0	0	0	0	0	114.4	Q748	G607-Q748 PolarHBondContact O-OE1 3.13Å
608	V	81.8	Confident	65.7	Low	55 Å²	55	70.5 Å²	70.5	33%	0.333	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	147	-177.6	-173.4	0	0	0	0	110.2	I604 S610 Q748 K749	I604-V608 HydrophobicContact CB-CG2 4.38Å; I604-V608 HydrophobicContact CD1-CG2 4.2Å; I604-V608 HydrophobicContact CG2-CG2 3.73Å; V608-S610 PolarHBondContact O-N 3.06Å; V608-Q748 CarbonylContact O-C 3.58Å; V608-Q748 WeakPolarHBondContact O-CA 3.36Å; V608-K749 HydrophobicContact CB-CG 4.47Å; V608-K749 PolarHBondContact N-O 3.05Å; V608-K749 PolarHBondContact O-N 2.79Å
609	N	85.1	Confident	68.6	Low	80 Å²	80	64.5 Å²	64.5	43%	0.428	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	132.2	172.3	-67.6	-18.3	0	0	0	110.9	R736 V746 Q748	N609-R736 PolarHBondContact OD1-NH2 2.93Å; N609-V746 HydrophobicContact CB-CG1 4.23Å; N609-Q748 PolarHBondContact OD1-NE2 3.11Å
610	S	86.9	Confident	71.3	Confident	6 Å²	6	58.8 Å²	58.8	4%	0.042	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-80.3	165.4	173.1	-62.7	0	0	0	0	112.1	V608 L664 L747	V608-S610 PolarHBondContact O-N 3.06Å; S610-L664 WeakPolarHBondContact O-CD1 3.29Å; S610-L747 WeakPolarHBondContact CB-O 2.98Å; S610-L747 PolarHBondContact N-O 2.66Å; S610-L747 PolarHBondContact OG-O 3.28Å
611	H	88.3	Confident	74.3	Confident	120 Å²	120	55.6 Å²	55.6	56%	0.556	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-99.3	159.7	172.4	-57.4	-70.3	0	0	0	112.2	G613 E614	H611-G613 PolarHBondContact O-N 2.91Å; H611-E614 HydrophobicContact CB-CB 4.21Å; H611-E614 IonicContact CD2-OE2 2.77Å; H611-E614 PolarHBondContact CD2-OE2 3.23Å; H611-E614 IonicContact CG-OE2 2.8Å; H611-E614 PolarHBondContact N-OE2 2.86Å; H611-E614 VanDerWaalsContact O-CB 3.27Å; H611-E614 WeakPolarHBondContact O-CB 3.32Å; H611-E614 PolarHBondContact O-N 3.35Å
612	E	85.8	Confident	76.7	Confident	77 Å²	77	47.5 Å²	47.5	36%	0.36	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	128	177.3	-166.2	172.3	-160.4	0	0	110.5	E614 L664 K670 L709	E612-E614 PolarHBondContact O-N 3.13Å; E612-L664 HydrophobicContact CB-CD2 4Å; E612-K670 WeakPolarHBondContact OE1-CE 3.43Å; E612-K670 IonicContact OE1-NZ 3.4Å; E612-K670 PolarHBondContact OE1-NZ 2.87Å; E612-L709 HydrophobicContact CG-CD2 3.89Å
613	G	83.6	Confident	79.5	Confident	10 Å²	10	43.3 Å²	43.3	10%	0.103	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	5	-176.7	0	0	0	0	0	114.9	A590 H611	A590-G613 CarbonylContact C-O 3.49Å; A590-G613 PolarHBondContact N-O 3.02Å; H611-G613 PolarHBondContact O-N 2.91Å
614	E	89.1	Confident	81.9	Confident	33 Å²	33	35.4 Å²	35.4	15%	0.154	21%	0.208	C	C	.	.	S	Bend	trans	-69.9	-39	179.1	-167.8	177.3	-175.7	0	0	112.4	P589 H611 E612 P616 K749	P589-E614 VanDerWaalsContact CB-O 3.23Å; P589-E614 WeakPolarHBondContact CB-O 3.4Å; H611-E614 HydrophobicContact CB-CB 4.21Å; H611-E614 IonicContact CD2-OE2 2.77Å; H611-E614 PolarHBondContact CD2-OE2 3.23Å; H611-E614 IonicContact CG-OE2 2.8Å; H611-E614 PolarHBondContact N-OE2 2.86Å; H611-E614 VanDerWaalsContact O-CB 3.27Å; H611-E614 WeakPolarHBondContact O-CB 3.32Å; H611-E614 PolarHBondContact O-N 3.35Å; E612-E614 PolarHBondContact O-N 3.13Å; E614-P616 WeakPolarHBondContact O-CD 3.49Å; E614-K749 IonicContact OE1-NZ 2.77Å; E614-K749 PolarHBondContact OE1-NZ 3.33Å; E614-K749 IonicContact OE2-NZ 2.68Å; E614-K749 PolarHBondContact OE2-NZ 2.98Å
615	W	92.9	Very high	84	Confident	17 Å²	17	34.9 Å²	34.9	6%	0.064	22%	0.22	C	C	.	.	S	Bend	trans	-124.4	72.4	-179.2	-55.8	105.3	0	0	0	110.4	W617 Q618 L729 T731 L747 K749 W802	W615-W617 AromaticContact CE3-CE2 3.94Å; W615-W617 HydrophobicContact CE3-CH2 4.21Å; W615-W617 AromaticContact CE3-CZ2 3.44Å; W615-W617 HydrophobicContact CE3-CZ2 3.44Å; W615-W617 VanDerWaalsContact CE3-CZ2 3.44Å; W615-W617 HydrophobicContact CZ3-CH2 4.38Å; W615-W617 AromaticContact CZ3-CZ2 3.69Å; W615-W617 HydrophobicContact CZ3-CZ2 3.69Å; W615-W617 PolarHBondContact O-N 3.25Å; W615-Q618 HydrophobicContact CB-CB 4.29Å; W615-Q618 WeakPolarHBondContact O-CB 3.48Å; W615-Q618 PolarHBondContact O-N 2.84Å; W615-Q618 VanDerWaalsContact O-N 3.1Å; W615-L729 HydrophobicContact CH2-CB 4.16Å; W615-L729 HydrophobicContact CH2-CD1 4.13Å; W615-L729 HydrophobicContact CH2-CD2 4.18Å; W615-L729 HydrophobicContact CH2-CG 4.39Å; W615-L729 HydrophobicContact CZ2-CB 4.42Å; W615-L729 HydrophobicContact CZ2-CD2 3.84Å; W615-T731 HydrophobicContact CD2-CG2 3.74Å; W615-T731 HydrophobicContact CE3-CG2 4.36Å; W615-T731 HydrophobicContact CG-CG2 3.8Å; W615-T731 HydrophobicContact CZ2-CG2 4.43Å; W615-L747 HydrophobicContact CB-CD2 4.3Å; W615-K749 HydrophobicContact CZ2-CD 4.32Å; W615-W802 HydrophobicContact CH2-CD2 4.3Å; W615-W802 HydrophobicContact CH2-CE3 4.21Å; W615-W802 AromaticContact CH2-CH2 3.85Å; W615-W802 HydrophobicContact CH2-CH2 3.85Å; W615-W802 AromaticContact CH2-CZ2 3.89Å; W615-W802 HydrophobicContact CH2-CZ2 3.89Å; W615-W802 AromaticContact CH2-CZ3 3.98Å; W615-W802 HydrophobicContact CH2-CZ3 3.98Å; W615-W802 AromaticContact CZ3-CD2 3.88Å; W615-W802 HydrophobicContact CZ3-CD2 3.88Å; W615-W802 AromaticContact CZ3-CE3 3.89Å; W615-W802 HydrophobicContact CZ3-CE3 3.89Å; W615-W802 HydrophobicContact CZ3-CH2 4.35Å; W615-W802 HydrophobicContact CZ3-CZ2 4.29Å; W615-W802 HydrophobicContact CZ3-CZ3 4.13Å
616	P	93.6	Very high	86.5	Confident	2 Å²	2	34.8 Å²	34.8	1%	0.013	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-16.2	-169	28.7	-35.9	0	0	0	113.8	E614 L709 V710 Q711	E614-P616 WeakPolarHBondContact O-CD 3.49Å; P616-L709 WeakPolarHBondContact CA-O 3.21Å; P616-V710 WeakPolarHBondContact O-CA 3.32Å; P616-Q711 HydrophobicContact CB-CB 3.96Å; P616-Q711 HydrophobicContact CB-CG 4.04Å; P616-Q711 HydrophobicContact CG-CB 3.9Å; P616-Q711 HydrophobicContact CG-CG 4.13Å; P616-Q711 PolarHBondContact O-N 3.03Å
617	W	95.8	Very high	88	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-6.9	174.1	48.3	86.1	0	0	0	114	W615 V619 S632 V633 Q711 V713 S793 W802	W615-W617 AromaticContact CE3-CE2 3.94Å; W615-W617 HydrophobicContact CE3-CH2 4.21Å; W615-W617 AromaticContact CE3-CZ2 3.44Å; W615-W617 HydrophobicContact CE3-CZ2 3.44Å; W615-W617 VanDerWaalsContact CE3-CZ2 3.44Å; W615-W617 HydrophobicContact CZ3-CH2 4.38Å; W615-W617 AromaticContact CZ3-CZ2 3.69Å; W615-W617 HydrophobicContact CZ3-CZ2 3.69Å; W615-W617 PolarHBondContact O-N 3.25Å; W617-V619 PolarHBondContact O-N 2.78Å; W617-S632 CarbonylContact O-C 3.29Å; W617-S632 VanDerWaalsContact O-CA 3.32Å; W617-S632 WeakPolarHBondContact O-CA 3.4Å; W617-V633 HydrophobicContact CB-CB 4.35Å; W617-V633 PolarHBondContact O-N 3.23Å; W617-Q711 WeakPolarHBondContact CA-O 3.07Å; W617-Q711 VanDerWaalsContact CB-O 3.28Å; W617-Q711 WeakPolarHBondContact CB-O 3.25Å; W617-Q711 PolarHBondContact N-O 2.84Å; W617-V713 HydrophobicContact CB-CB 3.81Å; W617-V713 HydrophobicContact CB-CG1 4.34Å; W617-V713 HydrophobicContact CD2-CB 3.88Å; W617-V713 HydrophobicContact CD2-CG2 4.14Å; W617-V713 HydrophobicContact CE3-CB 4.36Å; W617-V713 HydrophobicContact CG-CB 3.64Å; W617-V713 HydrophobicContact CG-CG1 4.45Å; W617-V713 HydrophobicContact CG-CG2 4.24Å; W617-S793 PolarHBondContact NE1-OG 3.11Å; W617-S793 VanDerWaalsContact NE1-OG 3.1Å; W617-W802 HydrophobicContact CH2-CB 3.48Å; W617-W802 VanDerWaalsContact CH2-CB 3.48Å; W617-W802 AromaticContact CH2-CD1 3.87Å; W617-W802 AromaticContact CH2-CG 3.65Å; W617-W802 HydrophobicContact CH2-CG 3.65Å; W617-W802 HydrophobicContact CZ2-CB 3.57Å; W617-W802 HydrophobicContact CZ2-CD2 4.4Å; W617-W802 AromaticContact CZ2-CG 3.83Å; W617-W802 HydrophobicContact CZ2-CG 3.83Å; W617-W802 HydrophobicContact CZ3-CB 4.45Å
618	Q	95.6	Very high	89.2	Confident	4 Å²	4	38.5 Å²	38.5	2%	0.019	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	130.9	-178.9	-172.2	67.8	13.8	0	0	111.5	W615 T731 W733 L747	W615-Q618 HydrophobicContact CB-CB 4.29Å; W615-Q618 WeakPolarHBondContact O-CB 3.48Å; W615-Q618 PolarHBondContact O-N 2.84Å; W615-Q618 VanDerWaalsContact O-N 3.1Å; Q618-T731 PolarHBondContact NE2-O 3.04Å; Q618-T731 PolarHBondContact OE1-OG1 3.07Å; Q618-W733 HydrophobicContact CG-CH2 3.8Å; Q618-W733 HydrophobicContact CG-CZ3 3.66Å; Q618-L747 HydrophobicContact CB-CD2 4.44Å; Q618-L747 HydrophobicContact CG-CD1 3.85Å; Q618-L747 HydrophobicContact CG-CD2 4.26Å
619	V	96	Very high	89.7	Confident	0 Å²	0	36 Å²	36	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	138.6	177.1	-177.6	0	0	0	0	110.9	W617 L621 G630 A631 V633 L639 A659 L661	W617-V619 PolarHBondContact O-N 2.78Å; V619-L621 HydrophobicContact CG1-CD2 4.24Å; V619-G630 CarbonylContact O-C 3.59Å; V619-G630 WeakPolarHBondContact O-CA 3.49Å; V619-A631 HydrophobicContact CB-CB 3.91Å; V619-A631 WeakPolarHBondContact CB-O 3.06Å; V619-A631 HydrophobicContact CG1-CB 4.2Å; V619-A631 PolarHBondContact N-O 2.87Å; V619-A631 PolarHBondContact O-N 2.91Å; V619-V633 HydrophobicContact CG2-CG2 3.51Å; V619-L639 HydrophobicContact CG1-CD1 4.04Å; V619-L639 HydrophobicContact CG2-CD2 4.04Å; V619-A659 HydrophobicContact CG1-CB 3.89Å; V619-L661 HydrophobicContact CG1-CG 4.37Å; V619-L661 HydrophobicContact CG2-CD2 4.29Å; V619-L661 HydrophobicContact CG2-CG 4.07Å
620	S	94.6	Very high	90.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	117.8	170	178.9	0	0	0	0	109.3	H622 L627 H660	S620-H622 PolarHBondContact OG-CD2 3.33Å; S620-H622 VanDerWaalsContact OG-CD2 3.26Å; S620-H622 PolarHBondContact OG-NE2 2.88Å; S620-L627 VanDerWaalsContact OG-CD1 3.29Å; S620-L627 WeakPolarHBondContact OG-CD1 3.24Å; S620-H660 PolarHBondContact N-O 3.1Å; S620-H660 VanDerWaalsContact N-O 3.08Å; S620-H660 PolarHBondContact O-N 2.96Å
621	L	94.3	Very high	90.6	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	122.5	175.3	-63.8	178.4	0	0	0	110.4	V619 Y628 C629 A631 L639 F646 W657 A659 L696	V619-L621 HydrophobicContact CG1-CD2 4.24Å; L621-Y628 PolarHBondContact O-N 3.13Å; L621-C629 WeakPolarHBondContact CA-O 3.47Å; L621-C629 HydrophobicContact CB-CB 4.5Å; L621-C629 VanDerWaalsContact CB-O 3.27Å; L621-C629 WeakPolarHBondContact CB-O 3.31Å; L621-C629 HydrophobicContact CD1-CB 4.39Å; L621-C629 PolarHBondContact N-O 2.82Å; L621-C629 PolarHBondContact O-N 2.92Å; L621-A631 HydrophobicContact CD1-CB 3.75Å; L621-A631 HydrophobicContact CD2-CB 4.15Å; L621-A631 HydrophobicContact CG-CB 3.76Å; L621-L639 HydrophobicContact CD2-CD1 4.44Å; L621-F646 HydrophobicContact CD1-CE1 4.3Å; L621-F646 HydrophobicContact CD1-CZ 3.74Å; L621-W657 HydrophobicContact CB-CE3 4.01Å; L621-W657 HydrophobicContact CB-CZ3 3.87Å; L621-W657 HydrophobicContact CD1-CZ3 4.44Å; L621-A659 HydrophobicContact CD2-CB 3.97Å; L621-L696 HydrophobicContact CD1-CD1 4.32Å; L621-L696 HydrophobicContact CD1-CD2 4.06Å; L621-L696 HydrophobicContact CD2-CD2 4.09Å
622	H	92	Very high	91	Very high	13 Å²	13	26.3 Å²	26.3	6%	0.06	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	127.3	179.1	-71.9	-125.4	0	0	0	110.4	S620 G625 S626 L627 W657 S658 H660	S620-H622 PolarHBondContact OG-CD2 3.33Å; S620-H622 VanDerWaalsContact OG-CD2 3.26Å; S620-H622 PolarHBondContact OG-NE2 2.88Å; H622-G625 PolarHBondContact ND1-O 3.48Å; H622-S626 CarbonylContact C-O 3.53Å; H622-S626 WeakPolarHBondContact CA-O 3.44Å; H622-L627 PolarHBondContact ND1-N 2.98Å; H622-W657 CarbonylContact O-C 3.51Å; H622-W657 VanDerWaalsContact O-CA 3.29Å; H622-W657 WeakPolarHBondContact O-CA 3.49Å; H622-S658 PolarHBondContact N-O 2.79Å; H622-S658 PolarHBondContact O-N 3.21Å; H622-H660 AromaticContact CD2-CD2 3.49Å; H622-H660 PolarHBondContact CD2-CD2 3.25Å; H622-H660 VanDerWaalsContact CD2-CD2 3.49Å; H622-H660 AromaticContact CD2-CG 3.85Å; H622-H660 AromaticContact CD2-NE2 3.7Å; H622-H660 AromaticContact CG-CD2 3.88Å; H622-H660 AromaticContact CG-NE2 3.65Å; H622-H660 AromaticContact NE2-CG 3.95Å
623	F	89.3	Confident	91.5	Very high	43 Å²	43	22.7 Å²	22.7	19%	0.189	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	125.8	170	179.6	-100.4	0	0	0	109.7	G625 S626 Y628 S650 L651 S656 W657	F623-G625 PolarHBondContact O-N 3.1Å; F623-G625 VanDerWaalsContact O-N 3.11Å; F623-S626 PolarHBondContact N-O 3.32Å; F623-S626 PolarHBondContact O-N 3.01Å; F623-Y628 HydrophobicContact CB-CD2 4.36Å; F623-Y628 HydrophobicContact CB-CG 4.22Å; F623-S650 WeakPolarHBondContact CE2-O 3.36Å; F623-L651 HydrophobicContact CD1-CD2 3.87Å; F623-L651 HydrophobicContact CD2-CD2 3.84Å; F623-L651 HydrophobicContact CE1-CD2 3.79Å; F623-L651 HydrophobicContact CE2-CD2 3.74Å; F623-L651 HydrophobicContact CG-CD2 3.89Å; F623-L651 HydrophobicContact CZ-CD2 3.72Å; F623-S656 CarbonylContact C-O 3.55Å; F623-S656 WeakPolarHBondContact CA-O 3.44Å; F623-W657 HydrophobicContact CB-CD2 4.26Å; F623-W657 HydrophobicContact CB-CE3 4.16Å; F623-W657 HydrophobicContact CB-CH2 4.19Å; F623-W657 HydrophobicContact CB-CZ2 4.25Å; F623-W657 HydrophobicContact CB-CZ3 4.13Å; F623-W657 HydrophobicContact CD2-CD2 4.06Å; F623-W657 AromaticContact CD2-CE2 3.6Å; F623-W657 HydrophobicContact CD2-CG 4.33Å; F623-W657 AromaticContact CD2-CZ2 3.98Å; F623-W657 HydrophobicContact CD2-CZ2 3.98Å; F623-W657 AromaticContact CD2-NE1 3.59Å; F623-W657 HydrophobicContact CG-CZ2 4.4Å
624	A	85.4	Confident	92.1	Very high	76 Å²	76	23 Å²	23	63%	0.628	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	37	-177.3	0	0	0	0	0	113.3	S626 S656	A624-S626 PolarHBondContact O-N 3.22Å; A624-S656 PolarHBondContact N-O 3.49Å
625	G	83.2	Confident	92.3	Very high	60 Å²	60	22.8 Å²	22.8	62%	0.619	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.4	-9.1	179.4	0	0	0	0	0	115.8	H622 F623	H622-G625 PolarHBondContact ND1-O 3.48Å; F623-G625 PolarHBondContact O-N 3.1Å; F623-G625 VanDerWaalsContact O-N 3.11Å
626	S	84.6	Confident	92.3	Very high	82 Å²	82	24.8 Å²	24.8	57%	0.573	16%	0.162	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	139.9	179.8	-57.8	0	0	0	0	111.4	H622 F623 A624 Y628	H622-S626 CarbonylContact C-O 3.53Å; H622-S626 WeakPolarHBondContact CA-O 3.44Å; F623-S626 PolarHBondContact N-O 3.32Å; F623-S626 PolarHBondContact O-N 3.01Å; A624-S626 PolarHBondContact O-N 3.22Å; S626-Y628 PolarHBondContact O-N 3.39Å
627	L	86.6	Confident	92.4	Very high	34 Å²	34	26.6 Å²	26.6	18%	0.178	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	130.3	171.1	165.4	64.4	0	0	0	109.4	S620 H622 W733 L743	S620-L627 VanDerWaalsContact OG-CD1 3.29Å; S620-L627 WeakPolarHBondContact OG-CD1 3.24Å; H622-L627 PolarHBondContact ND1-N 2.98Å; L627-W733 HydrophobicContact CD2-CB 3.8Å; L627-L743 HydrophobicContact CD2-CD1 4.3Å
628	Y	88.3	Confident	92.4	Very high	97 Å²	97	27 Å²	27	38%	0.38	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	-48.6	-178.7	-166.6	-87.7	0	0	0	112.4	L621 F623 S626 L651 W657	L621-Y628 PolarHBondContact O-N 3.13Å; F623-Y628 HydrophobicContact CB-CD2 4.36Å; F623-Y628 HydrophobicContact CB-CG 4.22Å; S626-Y628 PolarHBondContact O-N 3.39Å; Y628-L651 HydrophobicContact CE1-CD1 4.29Å; Y628-L651 HydrophobicContact CE2-CD2 4.36Å; Y628-L651 WeakPolarHBondContact OH-CD1 3.43Å; Y628-W657 AromaticContact CD1-CH2 3.52Å; Y628-W657 HydrophobicContact CD1-CH2 3.52Å; Y628-W657 HydrophobicContact CD1-CZ2 4.46Å; Y628-W657 HydrophobicContact CD1-CZ3 4.18Å; Y628-W657 HydrophobicContact CE1-CH2 4.17Å; Y628-W657 HydrophobicContact CG-CH2 4.06Å; Y628-W657 HydrophobicContact CG-CZ3 4.44Å
629	C	92.4	Very high	92.5	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.014	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	162.2	178.7	-78.4	0	0	0	0	111.2	L621 C645 S788	L621-C629 WeakPolarHBondContact CA-O 3.47Å; L621-C629 HydrophobicContact CB-CB 4.5Å; L621-C629 VanDerWaalsContact CB-O 3.27Å; L621-C629 WeakPolarHBondContact CB-O 3.31Å; L621-C629 HydrophobicContact CD1-CB 4.39Å; L621-C629 PolarHBondContact N-O 2.82Å; L621-C629 PolarHBondContact O-N 2.92Å; C629-C645 HydrophobicContact CB-CB 3.92Å; C629-C645 WeakPolarHBondContact CB-SG 3.45Å; C629-C645 WeakPolarHBondContact SG-CB 3.48Å; C629-C645 CovalentContact SG-SG 2.03Å; C629-C645 PolarHBondContact SG-SG 2.94Å; C629-S788 CarbonylContact C-O 3.5Å; C629-S788 VanDerWaalsContact CA-O 3.31Å; C629-S788 WeakPolarHBondContact CA-O 3.03Å; C629-S788 WeakPolarHBondContact CB-O 3.5Å
630	G	93.6	Very high	92.6	Very high	3 Å²	3	26.9 Å²	26.9	3%	0.031	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	167.2	162.3	0	0	0	0	0	111.9	V619 S641 S788 G789	V619-G630 CarbonylContact O-C 3.59Å; V619-G630 WeakPolarHBondContact O-CA 3.49Å; G630-S641 PolarHBondContact O-OG 3.15Å; G630-S788 PolarHBondContact N-O 2.77Å; G630-G789 VanDerWaalsContact C-C 3.48Å; G630-G789 CarbonylContact C-O 3.44Å; G630-G789 CarbonylContact O-C 3.37Å; G630-G789 WeakPolarHBondContact O-CA 3.21Å
631	A	96.7	Very high	92.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	172	169.2	0	0	0	0	0	110.3	V619 L621 V640 G789	V619-A631 HydrophobicContact CB-CB 3.91Å; V619-A631 WeakPolarHBondContact CB-O 3.06Å; V619-A631 HydrophobicContact CG1-CB 4.2Å; V619-A631 PolarHBondContact N-O 2.87Å; V619-A631 PolarHBondContact O-N 2.91Å; L621-A631 HydrophobicContact CD1-CB 3.75Å; L621-A631 HydrophobicContact CD2-CB 4.15Å; L621-A631 HydrophobicContact CG-CB 3.76Å; A631-V640 CarbonylContact C-O 3.4Å; A631-V640 VanDerWaalsContact CA-O 3.28Å; A631-V640 WeakPolarHBondContact CA-O 3.11Å; A631-V640 VanDerWaalsContact CB-O 3.32Å; A631-V640 WeakPolarHBondContact CB-O 3.26Å; A631-G789 WeakPolarHBondContact CA-O 3.49Å
632	S	97.4	Very high	92.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	142	177.2	-49.6	0	0	0	0	111.4	W617 L639 V640 P791	W617-S632 CarbonylContact O-C 3.29Å; W617-S632 VanDerWaalsContact O-CA 3.32Å; W617-S632 WeakPolarHBondContact O-CA 3.4Å; S632-L639 CarbonylContact O-C 3.19Å; S632-L639 VanDerWaalsContact O-CA 3.24Å; S632-L639 WeakPolarHBondContact O-CA 3.5Å; S632-V640 PolarHBondContact N-O 2.97Å; S632-V640 PolarHBondContact O-N 2.04Å; S632-P791 VanDerWaalsContact OG-CB 3.31Å; S632-P791 WeakPolarHBondContact OG-CB 3.14Å
633	V	97.1	Very high	92.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	126	175.6	-177.3	0	0	0	0	110.4	W617 V619 S635 L639 L661 V710 P712 V713	W617-V633 HydrophobicContact CB-CB 4.35Å; W617-V633 PolarHBondContact O-N 3.23Å; V619-V633 HydrophobicContact CG2-CG2 3.51Å; V633-S635 VanDerWaalsContact CG1-O 3.26Å; V633-S635 WeakPolarHBondContact CG1-O 3.46Å; V633-L639 HydrophobicContact CB-CD2 4.28Å; V633-L639 HydrophobicContact CG2-CD2 3.93Å; V633-L661 HydrophobicContact CG2-CD2 3.86Å; V633-V710 HydrophobicContact CG2-CG1 4.23Å; V633-P712 HydrophobicContact CG1-CB 4.34Å; V633-P712 VanDerWaalsContact O-CA 3.32Å; V633-P712 WeakPolarHBondContact O-CA 3.03Å; V633-V713 PolarHBondContact O-N 3.11Å
634	L	95.8	Very high	93	Very high	17 Å²	17	26 Å²	26	9%	0.089	17%	0.169	C	C	.	.			trans	-104.4	-35.7	173.2	-65	-172.2	0	0	0	112.9	W638 V640 L695 P712 V713 L715 L804 I833	L634-W638 HydrophobicContact CB-CB 4.37Å; L634-W638 PolarHBondContact N-O 3.19Å; L634-V640 HydrophobicContact CD1-CB 3.77Å; L634-V640 HydrophobicContact CD1-CG1 4.08Å; L634-V640 HydrophobicContact CD2-CB 4.37Å; L634-V640 HydrophobicContact CD2-CG1 3.73Å; L634-V640 HydrophobicContact CG-CB 4.01Å; L634-V640 HydrophobicContact CG-CG1 3.84Å; L634-L695 HydrophobicContact CD1-CD2 3.79Å; L634-P712 VanDerWaalsContact O-CB 3.27Å; L634-P712 WeakPolarHBondContact O-CB 3.45Å; L634-V713 HydrophobicContact CD2-CG1 4.41Å; L634-L715 HydrophobicContact CD2-CD1 4.26Å; L634-L715 HydrophobicContact CD2-CD2 3.63Å; L634-L715 HydrophobicContact CD2-CG 3.97Å; L634-L804 HydrophobicContact CD2-CD2 4.35Å; L634-I833 HydrophobicContact CD1-CG2 3.65Å
635	S	93.7	Very high	93.3	Very high	29 Å²	29	22.3 Å²	22.3	20%	0.203	14%	0.139	C	C	.	.	S	Bend	trans	-149.3	-168.2	178.4	78.8	0	0	0	0	111.2	V633 D637 W638 W702	V633-S635 VanDerWaalsContact CG1-O 3.26Å; V633-S635 WeakPolarHBondContact CG1-O 3.46Å; S635-D637 PolarHBondContact O-N 2.81Å; S635-D637 PolarHBondContact OG-N 3.2Å; S635-D637 PolarHBondContact OG-OD1 3.02Å; S635-W638 PolarHBondContact N-O 3.04Å; S635-W638 VanDerWaalsContact N-O 3.17Å; S635-W638 WeakPolarHBondContact OG-CB 3.45Å; S635-W638 PolarHBondContact OG-N 3.37Å; S635-W702 PolarHBondContact O-NE1 2.92Å
636	S	92.9	Very high	93.5	Very high	58 Å²	58	19.6 Å²	19.6	41%	0.406	11%	0.11	S	C	.	.	S	Bend	trans	-59.4	-26.2	172.8	50.4	0	0	0	0	114.3	P701 W702	S636-P701 CarbonylContact O-C 3.55Å; S636-P701 WeakPolarHBondContact O-CA 3.45Å; S636-P701 WeakPolarHBondContact O-CB 3.43Å; S636-W702 VanDerWaalsContact CA-NE1 3.31Å; S636-W702 PolarHBondContact O-N 3.02Å; S636-W702 PolarHBondContact O-NE1 2.89Å
637	D	94.6	Very high	92.8	Very high	40 Å²	40	22 Å²	22	21%	0.214	11%	0.107	C	C	.	.	S	Bend	trans	-137.1	-2.8	-171.7	66.7	-37.5	0	0	0	114.1	S635 Q697 L698 P701	S635-D637 PolarHBondContact O-N 2.81Å; S635-D637 PolarHBondContact OG-N 3.2Å; S635-D637 PolarHBondContact OG-OD1 3.02Å; D637-Q697 CarbonylContact O-C 3.5Å; D637-Q697 WeakPolarHBondContact O-CA 3Å; D637-Q697 PolarHBondContact OD2-NE2 2.91Å; D637-L698 PolarHBondContact O-N 2.91Å; D637-P701 HydrophobicContact CB-CB 4.28Å
638	W	96.6	Very high	91.8	Very high	10 Å²	10	26.7 Å²	26.7	4%	0.038	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	136.5	178.6	-71.9	97.9	0	0	0	113.2	L634 S635 R677 L695 Q697 H836 I837	L634-W638 HydrophobicContact CB-CB 4.37Å; L634-W638 PolarHBondContact N-O 3.19Å; S635-W638 PolarHBondContact N-O 3.04Å; S635-W638 VanDerWaalsContact N-O 3.17Å; S635-W638 WeakPolarHBondContact OG-CB 3.45Å; S635-W638 PolarHBondContact OG-N 3.37Å; W638-R677 VanDerWaalsContact CH2-CZ 3.46Å; W638-L695 HydrophobicContact CE3-CB 4.05Å; W638-L695 HydrophobicContact CZ3-CB 3.82Å; W638-L695 HydrophobicContact CZ3-CD1 4.39Å; W638-Q697 HydrophobicContact CD2-CB 4.24Å; W638-Q697 HydrophobicContact CD2-CG 4.2Å; W638-Q697 HydrophobicContact CE3-CB 3.99Å; W638-Q697 HydrophobicContact CE3-CG 4.45Å; W638-Q697 HydrophobicContact CH2-CB 4.16Å; W638-Q697 HydrophobicContact CZ2-CB 4.35Å; W638-Q697 HydrophobicContact CZ2-CG 4.21Å; W638-Q697 HydrophobicContact CZ3-CB 3.94Å; W638-H836 HydrophobicContact CH2-CB 4.39Å; W638-H836 WeakPolarHBondContact CZ2-O 3.34Å; W638-I837 HydrophobicContact CB-CG2 4Å; W638-I837 HydrophobicContact CD2-CB 4.4Å; W638-I837 HydrophobicContact CD2-CG2 3.65Å; W638-I837 HydrophobicContact CE3-CG2 4.08Å; W638-I837 HydrophobicContact CG-CB 4.17Å; W638-I837 HydrophobicContact CG-CG2 3.63Å
639	L	97.8	Very high	90.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	156.7	173.3	-49.9	179.7	0	0	0	110.2	V619 L621 S632 V633 A659 L661 L695 L696 L698	V619-L639 HydrophobicContact CG1-CD1 4.04Å; V619-L639 HydrophobicContact CG2-CD2 4.04Å; L621-L639 HydrophobicContact CD2-CD1 4.44Å; S632-L639 CarbonylContact O-C 3.19Å; S632-L639 VanDerWaalsContact O-CA 3.24Å; S632-L639 WeakPolarHBondContact O-CA 3.5Å; V633-L639 HydrophobicContact CB-CD2 4.28Å; V633-L639 HydrophobicContact CG2-CD2 3.93Å; L639-A659 HydrophobicContact CD1-CB 3.67Å; L639-L661 HydrophobicContact CD2-CD2 4.42Å; L639-L695 WeakPolarHBondContact O-CA 3.18Å; L639-L696 HydrophobicContact CB-CB 4.25Å; L639-L696 HydrophobicContact CB-CD1 4.38Å; L639-L696 PolarHBondContact N-O 3.26Å; L639-L696 PolarHBondContact O-N 2.93Å; L639-L698 HydrophobicContact CD1-CD2 3.75Å; L639-L698 HydrophobicContact CG-CD2 4.12Å; L639-L698 HydrophobicContact CG-CG 4.37Å
640	V	98.1	Very high	88.7	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	142.8	170.5	65.2	0	0	0	0	111	A631 S632 L634 I693 A694 L695 L804 I807	A631-V640 CarbonylContact C-O 3.4Å; A631-V640 VanDerWaalsContact CA-O 3.28Å; A631-V640 WeakPolarHBondContact CA-O 3.11Å; A631-V640 VanDerWaalsContact CB-O 3.32Å; A631-V640 WeakPolarHBondContact CB-O 3.26Å; S632-V640 PolarHBondContact N-O 2.97Å; S632-V640 PolarHBondContact O-N 2.04Å; L634-V640 HydrophobicContact CD1-CB 3.77Å; L634-V640 HydrophobicContact CD1-CG1 4.08Å; L634-V640 HydrophobicContact CD2-CB 4.37Å; L634-V640 HydrophobicContact CD2-CG1 3.73Å; L634-V640 HydrophobicContact CG-CB 4.01Å; L634-V640 HydrophobicContact CG-CG1 3.84Å; V640-I693 HydrophobicContact CG2-CD1 4.03Å; V640-I693 HydrophobicContact CG2-CG1 3.91Å; V640-A694 WeakPolarHBondContact CA-O 3.29Å; V640-L695 HydrophobicContact CB-CD2 4Å; V640-L695 HydrophobicContact CG2-CD2 4.04Å; V640-L804 HydrophobicContact CG1-CD2 3.55Å; V640-I807 HydrophobicContact CG2-CD1 3.6Å
641	S	97	Very high	87.7	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	-172.1	177.2	-169.2	0	0	0	0	110	G630 A694 G789	G630-S641 PolarHBondContact O-OG 3.15Å; S641-A694 PolarHBondContact N-O 3.07Å; S641-A694 PolarHBondContact O-N 3.1Å; S641-G789 WeakPolarHBondContact OG-CA 3.29Å
642	A	96.1	Very high	86.4	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.179	C	C	.	.			trans	-87.9	141.3	177.6	0	0	0	0	0	111.4	H644 C645 F646 I807	A642-H644 VanDerWaalsContact C-N 3.32Å; A642-H644 WeakPolarHBondContact CB-ND1 3.24Å; A642-H644 PolarHBondContact O-N 2.85Å; A642-C645 WeakPolarHBondContact O-CB 3.44Å; A642-C645 PolarHBondContact O-N 2.78Å; A642-F646 WeakPolarHBondContact O-CD2 3.33Å; A642-F646 WeakPolarHBondContact O-CE2 3.13Å; A642-I807 HydrophobicContact CB-CG2 4.16Å
643	A	94.4	Very high	85.4	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-63	-35.8	179.4	0	0	0	0	0	113.2	C645 F646 V680 Y684 D692	A643-C645 PolarHBondContact O-N 3.49Å; A643-F646 PolarHBondContact O-N 3.31Å; A643-V680 HydrophobicContact CB-CG1 3.72Å; A643-Y684 HydrophobicContact CB-CD1 3.63Å; A643-Y684 HydrophobicContact CB-CD2 3.59Å; A643-Y684 HydrophobicContact CB-CE1 3.89Å; A643-Y684 HydrophobicContact CB-CE2 3.89Å; A643-Y684 HydrophobicContact CB-CG 3.47Å; A643-Y684 VanDerWaalsContact CB-CG 3.47Å; A643-D692 WeakPolarHBondContact CA-OD1 3.1Å; A643-D692 WeakPolarHBondContact CB-OD1 3.13Å; A643-D692 PolarHBondContact N-OD1 3.2Å
644	H	90.8	Very high	84.7	Confident	37 Å²	37	36.6 Å²	36.6	17%	0.171	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-60.9	-20.7	-178.1	76	-102.9	0	0	0	112.9	A642 F646 Y684 F689 D692 S788 S809	A642-H644 VanDerWaalsContact C-N 3.32Å; A642-H644 WeakPolarHBondContact CB-ND1 3.24Å; A642-H644 PolarHBondContact O-N 2.85Å; H644-F646 VanDerWaalsContact C-N 3.25Å; H644-F646 PolarHBondContact O-N 3.14Å; H644-Y684 VanDerWaalsContact CA-OH 3.26Å; H644-Y684 WeakPolarHBondContact CA-OH 3.39Å; H644-Y684 WeakPolarHBondContact CB-OH 3.42Å; H644-F689 HydrophobicContact CB-CD1 4.16Å; H644-F689 HydrophobicContact CB-CE1 3.84Å; H644-D692 IonicContact CE1-OD2 2.84Å; H644-D692 IonicContact CG-OD1 3.58Å; H644-D692 IonicContact CG-OD2 2.58Å; H644-D692 PolarHBondContact N-OD1 3.33Å; H644-D692 IonicContact ND1-OD1 3.44Å; H644-D692 PolarHBondContact ND1-OD1 3.32Å; H644-D692 IonicContact ND1-OD2 2.79Å; H644-D692 PolarHBondContact ND1-OD2 3.27Å; H644-S788 VanDerWaalsContact NE2-CB 3.35Å; H644-S788 WeakPolarHBondContact NE2-CB 3.23Å; H644-S788 PolarHBondContact NE2-OG 2.93Å; H644-S809 PolarHBondContact CE1-O 3.42Å
645	C	91.1	Very high	83.9	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-65.1	-27.1	174.1	-63	0	0	0	0	112.8	C629 A642 A643 W657	C629-C645 HydrophobicContact CB-CB 3.92Å; C629-C645 WeakPolarHBondContact CB-SG 3.45Å; C629-C645 WeakPolarHBondContact SG-CB 3.48Å; C629-C645 CovalentContact SG-SG 2.03Å; C629-C645 PolarHBondContact SG-SG 2.94Å; A642-C645 WeakPolarHBondContact O-CB 3.44Å; A642-C645 PolarHBondContact O-N 2.78Å; A643-C645 PolarHBondContact O-N 3.49Å; C645-W657 HydrophobicContact CB-CH2 4.36Å; C645-W657 WeakPolarHBondContact O-CZ2 3.26Å
646	F	87.9	Confident	83.5	Confident	3 Å²	3	43.2 Å²	43.2	1%	0.013	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.8	2	-168.4	-49.3	-71	0	0	0	114.4	L621 A642 A643 H644 S652 W657 I678 V680 A694 L696	L621-F646 HydrophobicContact CD1-CE1 4.3Å; L621-F646 HydrophobicContact CD1-CZ 3.74Å; A642-F646 WeakPolarHBondContact O-CD2 3.33Å; A642-F646 WeakPolarHBondContact O-CE2 3.13Å; A643-F646 PolarHBondContact O-N 3.31Å; H644-F646 VanDerWaalsContact C-N 3.25Å; H644-F646 PolarHBondContact O-N 3.14Å; F646-S652 PolarHBondContact O-N 2.71Å; F646-W657 HydrophobicContact CD1-CD2 4.37Å; F646-W657 AromaticContact CD1-CE2 3.73Å; F646-W657 AromaticContact CD1-CH2 3.96Å; F646-W657 HydrophobicContact CD1-CH2 3.96Å; F646-W657 AromaticContact CD1-CZ2 3.52Å; F646-W657 HydrophobicContact CD1-CZ2 3.52Å; F646-W657 HydrophobicContact CE1-CD2 4.01Å; F646-W657 AromaticContact CE1-CE2 3.81Å; F646-W657 HydrophobicContact CE1-CE3 4.05Å; F646-W657 AromaticContact CE1-CH2 3.68Å; F646-W657 HydrophobicContact CE1-CH2 3.68Å; F646-W657 AromaticContact CE1-CZ2 3.67Å; F646-W657 HydrophobicContact CE1-CZ2 3.67Å; F646-W657 AromaticContact CE1-CZ3 3.89Å; F646-W657 HydrophobicContact CE1-CZ3 3.89Å; F646-I678 HydrophobicContact CB-CG2 3.89Å; F646-I678 HydrophobicContact CD1-CD1 3.77Å; F646-I678 HydrophobicContact CD1-CG1 4.39Å; F646-I678 HydrophobicContact CD1-CG2 3.91Å; F646-I678 HydrophobicContact CD2-CG2 3.9Å; F646-I678 HydrophobicContact CE1-CD1 4.24Å; F646-I678 HydrophobicContact CE1-CG2 4.48Å; F646-I678 HydrophobicContact CE2-CG2 4.48Å; F646-I678 HydrophobicContact CG-CD1 4.47Å; F646-I678 HydrophobicContact CG-CG2 3.59Å; F646-V680 HydrophobicContact CB-CG2 4.07Å; F646-A694 HydrophobicContact CD2-CB 3.64Å; F646-A694 HydrophobicContact CE2-CB 3.76Å; F646-L696 HydrophobicContact CE1-CD2 3.79Å; F646-L696 HydrophobicContact CE2-CD1 4.18Å; F646-L696 HydrophobicContact CZ-CD1 3.85Å; F646-L696 HydrophobicContact CZ-CD2 3.65Å; F646-L696 HydrophobicContact CZ-CG 4.05Å
647	R	69.9	Low	83.4	Confident	133 Å²	133	40.7 Å²	40.7	50%	0.502	20%	0.199	S	C	.	.			trans	-66.8	-41.5	-167.4	-177	179.2	61.2	139.2	-11.9	115.4	Y684	R647-Y684 HydrophobicContact CB-CE1 4.18Å; R647-Y684 HydrophobicContact CG-CE1 4.24Å
648	K	64.9	Low	83.4	Confident	132 Å²	132	40 Å²	40	57%	0.574	20%	0.197	S	C	*	.	S	Bend	trans	-67.8	145.4	-174.7	-63.9	-178.5	178.7	176.5	0	109	S650 L651 S652	K648-S650 PolarHBondContact O-N 2.94Å; K648-L651 HydrophobicContact CB-CB 4.26Å; K648-L651 HydrophobicContact CB-CD1 3.81Å; K648-L651 HydrophobicContact CB-CG 3.95Å; K648-L651 HydrophobicContact CD-CD1 4.05Å; K648-L651 HydrophobicContact CG-CD1 4Å; K648-L651 CarbonylContact O-C 3.55Å; K648-L651 WeakPolarHBondContact O-CA 3.26Å; K648-L651 WeakPolarHBondContact O-CB 3.33Å; K648-L651 PolarHBondContact O-N 3.16Å; K648-S652 PolarHBondContact O-N 3.11Å
649	E	57.6	Low	83.4	Confident	122 Å²	122	39.5 Å²	39.5	57%	0.57	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-29.8	-178.9	-71.3	-175.9	163.4	0	0	114	S652	E649-S652 PolarHBondContact O-OG 2.97Å; E649-S652 VanDerWaalsContact O-OG 3.09Å
650	S	59.9	Low	83.3	Confident	76 Å²	76	40.8 Å²	40.8	53%	0.531	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-26	173.5	58.1	0	0	0	0	113.9	F623 K648	F623-S650 WeakPolarHBondContact CE2-O 3.36Å; K648-S650 PolarHBondContact O-N 2.94Å
651	L	71.9	Confident	83.2	Confident	8 Å²	8	40.8 Å²	40.8	4%	0.042	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-15.2	-179.4	-61.8	175.7	0	0	0	112.5	F623 Y628 K648 D653 W657	F623-L651 HydrophobicContact CD1-CD2 3.87Å; F623-L651 HydrophobicContact CD2-CD2 3.84Å; F623-L651 HydrophobicContact CE1-CD2 3.79Å; F623-L651 HydrophobicContact CE2-CD2 3.74Å; F623-L651 HydrophobicContact CG-CD2 3.89Å; F623-L651 HydrophobicContact CZ-CD2 3.72Å; Y628-L651 HydrophobicContact CE1-CD1 4.29Å; Y628-L651 HydrophobicContact CE2-CD2 4.36Å; Y628-L651 WeakPolarHBondContact OH-CD1 3.43Å; K648-L651 HydrophobicContact CB-CB 4.26Å; K648-L651 HydrophobicContact CB-CD1 3.81Å; K648-L651 HydrophobicContact CB-CG 3.95Å; K648-L651 HydrophobicContact CD-CD1 4.05Å; K648-L651 HydrophobicContact CG-CD1 4Å; K648-L651 CarbonylContact O-C 3.55Å; K648-L651 WeakPolarHBondContact O-CA 3.26Å; K648-L651 WeakPolarHBondContact O-CB 3.33Å; K648-L651 PolarHBondContact O-N 3.16Å; L651-D653 VanDerWaalsContact C-N 3.33Å; L651-W657 HydrophobicContact CB-CZ2 4.28Å; L651-W657 HydrophobicContact CD2-CZ2 4.18Å; L651-W657 PolarHBondContact O-NE1 2.93Å
652	S	70.1	Confident	83	Confident	58 Å²	58	41.4 Å²	41.4	41%	0.406	21%	0.207	S	C	.	.	S	Bend	trans	-82.3	-7.5	176.5	61.1	0	0	0	0	113.8	F646 K648 E649 P654	F646-S652 PolarHBondContact O-N 2.71Å; K648-S652 PolarHBondContact O-N 3.11Å; E649-S652 PolarHBondContact O-OG 2.97Å; E649-S652 VanDerWaalsContact O-OG 3.09Å; S652-P654 WeakPolarHBondContact O-CD 3.28Å
653	D	74.4	Confident	82.8	Confident	36 Å²	36	41.8 Å²	41.8	19%	0.193	21%	0.209	C	C	.	.			trans	-80.9	107.9	174.5	-175.1	-17	0	0	0	111.1	V293 L651 R655 S656 W657	V293-D653 WeakPolarHBondContact CG1-OD1 3.32Å; V293-D653 WeakPolarHBondContact CG2-OD1 3.38Å; L651-D653 VanDerWaalsContact C-N 3.33Å; D653-R655 PolarHBondContact O-N 3.33Å; D653-R655 VanDerWaalsContact O-N 3.14Å; D653-R655 WeakPolarHBondContact OD1-CB 3.33Å; D653-R655 WeakPolarHBondContact OD1-CG 3.28Å; D653-R655 PolarHBondContact OD1-N 3.31Å; D653-R655 IonicContact OD1-NE 3.5Å; D653-R655 PolarHBondContact OD1-NE 3.35Å; D653-R655 IonicContact OD2-CZ 2.76Å; D653-R655 IonicContact OD2-NE 2.67Å; D653-R655 PolarHBondContact OD2-NE 3.07Å; D653-R655 IonicContact OD2-NH2 3.71Å; D653-R655 PolarHBondContact OD2-NH2 2.71Å; D653-S656 PolarHBondContact O-N 3.2Å; D653-W657 VanDerWaalsContact O-CD1 3.24Å
654	P	83.6	Confident	82.6	Confident	9 Å²	9	43.5 Å²	43.5	6%	0.058	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-61.9	-20.7	-178	25.4	-36.6	0	0	0	114.7	V293 S652 S656 W657 I675 I678	V293-P654 VanDerWaalsContact CG2-CD 3.45Å; V293-P654 HydrophobicContact CG2-CG 3.39Å; S652-P654 WeakPolarHBondContact O-CD 3.28Å; P654-S656 PolarHBondContact O-N 3.16Å; P654-W657 WeakPolarHBondContact O-CB 3.2Å; P654-W657 PolarHBondContact O-N 3.39Å; P654-I675 HydrophobicContact CB-CB 4.02Å; P654-I675 HydrophobicContact CB-CG2 3.79Å; P654-I678 HydrophobicContact CB-CD1 4.02Å; P654-I678 HydrophobicContact CB-CG1 4.22Å
655	R	79.6	Confident	82.5	Confident	140 Å²	140	44.4 Å²	44.4	53%	0.528	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-67.6	-25	-179.8	-63.2	178.8	-58.6	-172.4	-4.8	113.4	V293 D653 W657	V293-R655 HydrophobicContact CB-CG 4.4Å; V293-R655 HydrophobicContact CG1-CG 4.24Å; V293-R655 VanDerWaalsContact CG1-NH2 3.28Å; V293-R655 HydrophobicContact CG2-CG 4.21Å; D653-R655 PolarHBondContact O-N 3.33Å; D653-R655 VanDerWaalsContact O-N 3.14Å; D653-R655 WeakPolarHBondContact OD1-CB 3.33Å; D653-R655 WeakPolarHBondContact OD1-CG 3.28Å; D653-R655 PolarHBondContact OD1-N 3.31Å; D653-R655 IonicContact OD1-NE 3.5Å; D653-R655 PolarHBondContact OD1-NE 3.35Å; D653-R655 IonicContact OD2-CZ 2.76Å; D653-R655 IonicContact OD2-NE 2.67Å; D653-R655 PolarHBondContact OD2-NE 3.07Å; D653-R655 IonicContact OD2-NH2 3.71Å; D653-R655 PolarHBondContact OD2-NH2 2.71Å; R655-W657 PolarHBondContact O-N 2.99Å
656	S	84.6	Confident	82.2	Confident	45 Å²	45	47.3 Å²	47.3	32%	0.315	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-80.5	-6.1	176.7	-59.3	0	0	0	0	111.8	F623 A624 D653 P654	F623-S656 CarbonylContact C-O 3.55Å; F623-S656 WeakPolarHBondContact CA-O 3.44Å; A624-S656 PolarHBondContact N-O 3.49Å; D653-S656 PolarHBondContact O-N 3.2Å; P654-S656 PolarHBondContact O-N 3.16Å
657	W	91.6	Very high	82	Confident	5 Å²	5	50.7 Å²	50.7	2%	0.019	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	143.5	-177	-67.3	90.7	0	0	0	112.6	L621 H622 F623 Y628 C645 F646 L651 D653 P654 R655 I675 I678	L621-W657 HydrophobicContact CB-CE3 4.01Å; L621-W657 HydrophobicContact CB-CZ3 3.87Å; L621-W657 HydrophobicContact CD1-CZ3 4.44Å; H622-W657 CarbonylContact O-C 3.51Å; H622-W657 VanDerWaalsContact O-CA 3.29Å; H622-W657 WeakPolarHBondContact O-CA 3.49Å; F623-W657 HydrophobicContact CB-CD2 4.26Å; F623-W657 HydrophobicContact CB-CE3 4.16Å; F623-W657 HydrophobicContact CB-CH2 4.19Å; F623-W657 HydrophobicContact CB-CZ2 4.25Å; F623-W657 HydrophobicContact CB-CZ3 4.13Å; F623-W657 HydrophobicContact CD2-CD2 4.06Å; F623-W657 AromaticContact CD2-CE2 3.6Å; F623-W657 HydrophobicContact CD2-CG 4.33Å; F623-W657 AromaticContact CD2-CZ2 3.98Å; F623-W657 HydrophobicContact CD2-CZ2 3.98Å; F623-W657 AromaticContact CD2-NE1 3.59Å; F623-W657 HydrophobicContact CG-CZ2 4.4Å; Y628-W657 AromaticContact CD1-CH2 3.52Å; Y628-W657 HydrophobicContact CD1-CH2 3.52Å; Y628-W657 HydrophobicContact CD1-CZ2 4.46Å; Y628-W657 HydrophobicContact CD1-CZ3 4.18Å; Y628-W657 HydrophobicContact CE1-CH2 4.17Å; Y628-W657 HydrophobicContact CG-CH2 4.06Å; Y628-W657 HydrophobicContact CG-CZ3 4.44Å; C645-W657 HydrophobicContact CB-CH2 4.36Å; C645-W657 WeakPolarHBondContact O-CZ2 3.26Å; F646-W657 HydrophobicContact CD1-CD2 4.37Å; F646-W657 AromaticContact CD1-CE2 3.73Å; F646-W657 AromaticContact CD1-CH2 3.96Å; F646-W657 HydrophobicContact CD1-CH2 3.96Å; F646-W657 AromaticContact CD1-CZ2 3.52Å; F646-W657 HydrophobicContact CD1-CZ2 3.52Å; F646-W657 HydrophobicContact CE1-CD2 4.01Å; F646-W657 AromaticContact CE1-CE2 3.81Å; F646-W657 HydrophobicContact CE1-CE3 4.05Å; F646-W657 AromaticContact CE1-CH2 3.68Å; F646-W657 HydrophobicContact CE1-CH2 3.68Å; F646-W657 AromaticContact CE1-CZ2 3.67Å; F646-W657 HydrophobicContact CE1-CZ2 3.67Å; F646-W657 AromaticContact CE1-CZ3 3.89Å; F646-W657 HydrophobicContact CE1-CZ3 3.89Å; L651-W657 HydrophobicContact CB-CZ2 4.28Å; L651-W657 HydrophobicContact CD2-CZ2 4.18Å; L651-W657 PolarHBondContact O-NE1 2.93Å; D653-W657 VanDerWaalsContact O-CD1 3.24Å; P654-W657 WeakPolarHBondContact O-CB 3.2Å; P654-W657 PolarHBondContact O-N 3.39Å; R655-W657 PolarHBondContact O-N 2.99Å; W657-I675 HydrophobicContact CB-CB 4.31Å; W657-I675 HydrophobicContact CB-CG1 3.73Å; W657-I678 HydrophobicContact CG-CD1 4.44Å
658	S	94.6	Very high	83	Confident	26 Å²	26	47 Å²	47	18%	0.182	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	139.9	168	56.3	0	0	0	0	110.1	H622 H660 A673	H622-S658 PolarHBondContact N-O 2.79Å; H622-S658 PolarHBondContact O-N 3.21Å; S658-H660 PolarHBondContact OG-NE2 3.28Å; S658-A673 WeakPolarHBondContact CA-O 3.37Å
659	A	96.6	Very high	84.3	Confident	0 Å²	0	42 Å²	42	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	129.3	174.6	0	0	0	0	0	110	V619 L621 L639 L661 V672 A673 I675 L698	V619-A659 HydrophobicContact CG1-CB 3.89Å; L621-A659 HydrophobicContact CD2-CB 3.97Å; L639-A659 HydrophobicContact CD1-CB 3.67Å; A659-L661 HydrophobicContact CB-CD1 3.94Å; A659-V672 CarbonylContact O-C 3.46Å; A659-V672 WeakPolarHBondContact O-CA 3.4Å; A659-A673 PolarHBondContact N-O 2.77Å; A659-A673 PolarHBondContact O-N 3.41Å; A659-I675 HydrophobicContact CB-CD1 3.97Å; A659-L698 HydrophobicContact CB-CD2 4.03Å
660	H	95.7	Very high	86	Confident	27 Å²	27	40.8 Å²	40.8	13%	0.125	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	111.3	178.9	-69.8	-131.1	0	0	0	108.2	S620 H622 S658 M663 A669	S620-H660 PolarHBondContact N-O 3.1Å; S620-H660 VanDerWaalsContact N-O 3.08Å; S620-H660 PolarHBondContact O-N 2.96Å; H622-H660 AromaticContact CD2-CD2 3.49Å; H622-H660 PolarHBondContact CD2-CD2 3.25Å; H622-H660 VanDerWaalsContact CD2-CD2 3.49Å; H622-H660 AromaticContact CD2-CG 3.85Å; H622-H660 AromaticContact CD2-NE2 3.7Å; H622-H660 AromaticContact CG-CD2 3.88Å; H622-H660 AromaticContact CG-NE2 3.65Å; H622-H660 AromaticContact NE2-CG 3.95Å; S658-H660 PolarHBondContact OG-NE2 3.28Å; H660-M663 HydrophobicContact CB-CE 4.34Å; H660-M663 HydrophobicContact CB-SD 4.32Å; H660-A669 HydrophobicContact CB-CB 3.78Å
661	L	95.6	Very high	87.6	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	150.8	-173.7	-59.6	88.2	0	0	0	111.6	V619 V633 L639 A659 M663 K670 H671 A673 W702 V710	V619-L661 HydrophobicContact CG1-CG 4.37Å; V619-L661 HydrophobicContact CG2-CD2 4.29Å; V619-L661 HydrophobicContact CG2-CG 4.07Å; V633-L661 HydrophobicContact CG2-CD2 3.86Å; L639-L661 HydrophobicContact CD2-CD2 4.42Å; A659-L661 HydrophobicContact CB-CD1 3.94Å; L661-M663 PolarHBondContact O-N 3.19Å; L661-K670 PolarHBondContact O-N 3.43Å; L661-K670 VanDerWaalsContact O-N 3.12Å; L661-H671 HydrophobicContact CB-CB 4.41Å; L661-H671 PolarHBondContact N-O 2.8Å; L661-H671 PolarHBondContact O-N 2.84Å; L661-A673 HydrophobicContact CD1-CB 4.19Å; L661-W702 HydrophobicContact CD2-CG 4.41Å; L661-V710 HydrophobicContact CB-CG1 4.3Å; L661-V710 HydrophobicContact CB-CG2 3.87Å; L661-V710 HydrophobicContact CD2-CG1 3.73Å
662	G	92.4	Very high	88.7	Confident	12 Å²	12	42.7 Å²	42.7	12%	0.124	25%	0.252	C	S	.	.	S	Bend	trans	63.6	25.1	179.7	0	0	0	0	0	113.4	K670 L709	G662-K670 WeakPolarHBondContact O-CG 3.44Å; G662-L709 WeakPolarHBondContact CA-O 3.34Å
663	M	91.9	Very high	89.9	Confident	9 Å²	9	40.2 Å²	40.2	4%	0.044	24%	0.235	C	C	.	.			trans	-89.9	131.2	-176.7	-169.7	169	68.7	0	0	110.1	H660 L661 T665 Q666 A669 W733	H660-M663 HydrophobicContact CB-CE 4.34Å; H660-M663 HydrophobicContact CB-SD 4.32Å; L661-M663 PolarHBondContact O-N 3.19Å; M663-T665 WeakPolarHBondContact CG-O 3.43Å; M663-Q666 VanDerWaalsContact CE-NE2 3.34Å; M663-A669 HydrophobicContact CB-CB 4.22Å; M663-A669 HydrophobicContact CG-CB 4.34Å; M663-A669 HydrophobicContact SD-CB 4.04Å; M663-W733 HydrophobicContact CB-CH2 4.36Å; M663-W733 HydrophobicContact CB-CZ2 4.23Å; M663-W733 HydrophobicContact CE-CH2 4.06Å; M663-W733 HydrophobicContact CE-CZ2 3.88Å; M663-W733 HydrophobicContact CE-CZ3 4.46Å; M663-W733 HydrophobicContact CG-CZ2 4.34Å; M663-W733 WeakPolarHBondContact O-CZ2 3.48Å
664	L	89.1	Confident	90.8	Very high	35 Å²	35	44.1 Å²	44.1	18%	0.183	25%	0.252	C	S	.	.	S	Bend	trans	-102.6	-49.8	168	175.3	65.1	0	0	0	110.7	S610 E612 W733 V746 L747	S610-L664 WeakPolarHBondContact O-CD1 3.29Å; E612-L664 HydrophobicContact CB-CD2 4Å; L664-W733 PolarHBondContact O-NE1 3.15Å; L664-V746 HydrophobicContact CD1-CG1 3.93Å; L664-V746 HydrophobicContact CG-CG1 4.2Å; L664-L747 HydrophobicContact CD1-CB 3.99Å; L664-L747 PolarHBondContact O-N 3.08Å
665	T	89.6	Confident	91.1	Very high	56 Å²	56	44.1 Å²	44.1	34%	0.344	25%	0.252	S	S	.	.	B	Isolated β-bridge	trans	-104.2	136.4	179.1	-52.1	0	0	0	0	109.8	M663 G667 S668 S745	M663-T665 WeakPolarHBondContact CG-O 3.43Å; T665-G667 PolarHBondContact O-N 2.77Å; T665-S668 PolarHBondContact O-N 3.34Å; T665-S668 PolarHBondContact O-OG 2.95Å; T665-S745 CarbonylContact C-O 3.46Å; T665-S745 VanDerWaalsContact CA-O 3.23Å; T665-S745 WeakPolarHBondContact CA-O 3.3Å
666	Q	84.8	Confident	91.4	Very high	61 Å²	61	39.1 Å²	39.1	29%	0.285	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	128.2	177.1	-78.2	-68.5	-31.3	0	0	111	M663 W733 S745	M663-Q666 VanDerWaalsContact CE-NE2 3.34Å; Q666-W733 HydrophobicContact CG-CG 4.38Å; Q666-W733 VanDerWaalsContact NE2-CG 3.26Å; Q666-S745 PolarHBondContact N-O 3.25Å
667	G	84.4	Confident	91.4	Very high	74 Å²	74	39.7 Å²	39.7	76%	0.763	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.6	-4.4	-176.5	0	0	0	0	0	115.6	T665	T665-G667 PolarHBondContact O-N 2.77Å
668	S	90.3	Very high	91.2	Very high	55 Å²	55	41 Å²	41	39%	0.385	24%	0.237	S	C	.	.			trans	-109.8	41.1	178.6	81.9	0	0	0	0	113	T665	T665-S668 PolarHBondContact O-N 3.34Å; T665-S668 PolarHBondContact O-OG 2.95Å
669	A	91.8	Very high	90.9	Very high	28 Å²	28	40.3 Å²	40.3	23%	0.231	23%	0.231	C	C	.	.			trans	-64.6	139.9	177.9	0	0	0	0	0	111.5	H660 M663 V672	H660-A669 HydrophobicContact CB-CB 3.78Å; M663-A669 HydrophobicContact CB-CB 4.22Å; M663-A669 HydrophobicContact CG-CB 4.34Å; M663-A669 HydrophobicContact SD-CB 4.04Å; A669-V672 HydrophobicContact CB-CG2 3.92Å
670	K	93.2	Very high	90.6	Very high	97 Å²	97	42.7 Å²	42.7	42%	0.422	25%	0.246	S	C	.	.	S	Bend	trans	-83.5	-28.5	177.9	-55.5	-70.6	177.6	170.3	0	111.3	E612 L661 G662 L706 L709	E612-K670 WeakPolarHBondContact OE1-CE 3.43Å; E612-K670 IonicContact OE1-NZ 3.4Å; E612-K670 PolarHBondContact OE1-NZ 2.87Å; L661-K670 PolarHBondContact O-N 3.43Å; L661-K670 VanDerWaalsContact O-N 3.12Å; G662-K670 WeakPolarHBondContact O-CG 3.44Å; K670-L706 HydrophobicContact CB-CD2 4.02Å; K670-L709 HydrophobicContact CD-CD1 4.05Å; K670-L709 HydrophobicContact CG-CD1 3.89Å
671	H	94.4	Very high	90.3	Very high	42 Å²	42	42.1 Å²	42.1	19%	0.194	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	129.1	174.1	-169.2	61.6	0	0	0	110	L661 L706	L661-H671 HydrophobicContact CB-CB 4.41Å; L661-H671 PolarHBondContact N-O 2.8Å; L661-H671 PolarHBondContact O-N 2.84Å; H671-L706 HydrophobicContact CB-CD1 3.61Å
672	V	95.7	Very high	89.8	Confident	82 Å²	82	47.8 Å²	47.8	50%	0.497	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	117.1	171.6	-178.1	0	0	0	0	107	A659 A669	A659-V672 CarbonylContact O-C 3.46Å; A659-V672 WeakPolarHBondContact O-CA 3.4Å; A669-V672 HydrophobicContact CB-CG2 3.92Å
673	A	94.5	Very high	89.6	Confident	6 Å²	6	50.3 Å²	50.3	5%	0.05	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	137.9	-177.1	0	0	0	0	0	111	S658 A659 L661 L698	S658-A673 WeakPolarHBondContact CA-O 3.37Å; A659-A673 PolarHBondContact N-O 2.77Å; A659-A673 PolarHBondContact O-N 3.41Å; L661-A673 HydrophobicContact CD1-CB 4.19Å; A673-L698 HydrophobicContact CB-CD1 4.07Å; A673-L698 HydrophobicContact CB-CD2 3.78Å; A673-L698 HydrophobicContact CB-CG 4.35Å
674	E	92.2	Very high	89.4	Confident	118 Å²	118	51.5 Å²	51.5	55%	0.551	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	145.6	169	-70.2	171.4	-130.2	0	0	110.2	K699	E674-K699 HydrophobicContact CB-CB 4.13Å; E674-K699 HydrophobicContact CB-CD 4.08Å; E674-K699 PolarHBondContact O-N 2.85Å; E674-K699 WeakPolarHBondContact OE2-CD 3.42Å; E674-K699 IonicContact OE2-NZ 3.33Å; E674-K699 PolarHBondContact OE2-NZ 3.04Å
675	I	91.6	Very high	89.1	Confident	9 Å²	9	51.4 Å²	51.4	5%	0.046	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	129.6	174.2	-53.1	-54.4	0	0	0	109.5	P654 W657 A659 R677 I678 L696 L698	P654-I675 HydrophobicContact CB-CB 4.02Å; P654-I675 HydrophobicContact CB-CG2 3.79Å; W657-I675 HydrophobicContact CB-CB 4.31Å; W657-I675 HydrophobicContact CB-CG1 3.73Å; A659-I675 HydrophobicContact CB-CD1 3.97Å; I675-R677 WeakPolarHBondContact CG2-O 3.41Å; I675-I678 HydrophobicContact CG2-CG1 3.83Å; I675-L696 HydrophobicContact CD1-CB 4.33Å; I675-L696 HydrophobicContact CD1-CD2 4.04Å; I675-L696 HydrophobicContact CG1-CD2 4.21Å; I675-L696 HydrophobicContact CG2-CB 4.3Å; I675-L696 HydrophobicContact CG2-CD2 4.25Å; I675-L698 HydrophobicContact CD1-CD2 3.81Å
676	Q	85.4	Confident	88.7	Confident	35 Å²	35	49.5 Å²	49.5	16%	0.164	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-48.1	175.2	178.1	170.3	-5.4	0	0	111.6	P289 Q697 K699	P289-Q676 PolarHBondContact O-NE2 2.8Å; Q676-Q697 PolarHBondContact N-O 2.9Å; Q676-K699 HydrophobicContact CB-CB 4.06Å
677	R	83.7	Confident	88.4	Confident	57 Å²	57	52 Å²	52	22%	0.215	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	154.3	178.2	60.3	166.6	174.6	171.6	-4.1	112.1	E316 W638 I675 L696 Q697	E316-R677 IonicContact OE1-NH1 3.33Å; W638-R677 VanDerWaalsContact CH2-CZ 3.46Å; I675-R677 WeakPolarHBondContact CG2-O 3.41Å; R677-L696 WeakPolarHBondContact O-CA 3.29Å; R677-Q697 HydrophobicContact CG-CB 3.59Å; R677-Q697 PolarHBondContact O-N 2.04Å
678	I	88.6	Confident	88.2	Confident	33 Å²	33	49.9 Å²	49.9	17%	0.169	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	122.6	174.7	-60.8	162.9	0	0	0	106.5	F646 P654 W657 I675 V680 L695 L696	F646-I678 HydrophobicContact CB-CG2 3.89Å; F646-I678 HydrophobicContact CD1-CD1 3.77Å; F646-I678 HydrophobicContact CD1-CG1 4.39Å; F646-I678 HydrophobicContact CD1-CG2 3.91Å; F646-I678 HydrophobicContact CD2-CG2 3.9Å; F646-I678 HydrophobicContact CE1-CD1 4.24Å; F646-I678 HydrophobicContact CE1-CG2 4.48Å; F646-I678 HydrophobicContact CE2-CG2 4.48Å; F646-I678 HydrophobicContact CG-CD1 4.47Å; F646-I678 HydrophobicContact CG-CG2 3.59Å; P654-I678 HydrophobicContact CB-CD1 4.02Å; P654-I678 HydrophobicContact CB-CG1 4.22Å; W657-I678 HydrophobicContact CG-CD1 4.44Å; I675-I678 HydrophobicContact CG2-CG1 3.83Å; I678-V680 HydrophobicContact CG2-CG2 4.26Å; I678-L695 WeakPolarHBondContact CA-O 3.02Å; I678-L696 HydrophobicContact CG1-CD2 4.27Å; I678-L696 HydrophobicContact CG1-CG 4.45Å
679	V	88.1	Confident	88.1	Confident	10 Å²	10	50 Å²	50	6%	0.061	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	107.3	178.7	-175.4	0	0	0	0	107.7	A694 L695 W832	V679-A694 CarbonylContact O-C 3.39Å; V679-A694 WeakPolarHBondContact O-CA 3.42Å; V679-A694 WeakPolarHBondContact O-CB 3.1Å; V679-L695 HydrophobicContact CB-CB 4.34Å; V679-L695 PolarHBondContact N-O 3.27Å; V679-L695 PolarHBondContact O-N 3.19Å; V679-W832 HydrophobicContact CG1-CZ2 4.16Å
680	V	89.6	Confident	88.1	Confident	51 Å²	51	49.3 Å²	49.3	31%	0.309	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	138.4	174.6	173.8	0	0	0	0	108.4	A643 F646 I678 E682 Y684 A694	A643-V680 HydrophobicContact CB-CG1 3.72Å; F646-V680 HydrophobicContact CB-CG2 4.07Å; I678-V680 HydrophobicContact CG2-CG2 4.26Å; V680-E682 PolarHBondContact O-N 2.76Å; V680-Y684 HydrophobicContact CG1-CD1 3.99Å; V680-Y684 HydrophobicContact CG1-CG 4.25Å; V680-A694 HydrophobicContact CG2-CB 4.18Å
681	H	90.6	Very high	88.1	Confident	15 Å²	15	45.5 Å²	45.5	7%	0.069	22%	0.219	C	C	.	.			trans	-57.7	134.2	176.9	-162.9	-42.9	0	0	0	111.5	Y683 Y684 Y691 I693 F829 W832	H681-Y683 AromaticContact CE1-CD2 3.81Å; H681-Y683 PolarHBondContact ND1-N 2.93Å; H681-Y683 PolarHBondContact O-N 3.33Å; H681-Y683 VanDerWaalsContact O-N 3.16Å; H681-Y684 WeakPolarHBondContact O-CB 3.11Å; H681-Y684 PolarHBondContact O-N 2.82Å; H681-Y691 AromaticContact CD2-CD1 3.77Å; H681-Y691 AromaticContact CE1-CD1 3.39Å; H681-Y691 WeakPolarHBondContact CE1-CD1 3.33Å; H681-Y691 AromaticContact CE1-CE1 3.76Å; H681-Y691 AromaticContact CG-CD1 3.92Å; H681-Y691 AromaticContact ND1-CD1 3.71Å; H681-Y691 AromaticContact NE2-CD1 3.4Å; H681-Y691 WeakPolarHBondContact NE2-CD1 3.43Å; H681-Y691 AromaticContact NE2-CE1 3.8Å; H681-I693 HydrophobicContact CB-CG2 3.77Å; H681-I693 PolarHBondContact N-O 3.19Å; H681-F829 AromaticContact CD2-CD1 3.69Å; H681-F829 AromaticContact CD2-CE1 3.73Å; H681-F829 AromaticContact NE2-CD1 3.81Å; H681-F829 AromaticContact NE2-CE1 3.78Å; H681-W832 HydrophobicContact CB-CH2 4.28Å; H681-W832 HydrophobicContact CB-CZ2 3.89Å; H681-W832 AromaticContact CD2-CD1 3.99Å; H681-W832 AromaticContact CD2-CD2 3.73Å; H681-W832 AromaticContact CD2-CE2 3.71Å; H681-W832 AromaticContact CD2-CG 3.95Å; H681-W832 AromaticContact CD2-NE1 3.82Å; H681-W832 AromaticContact CG-CE2 3.95Å; H681-W832 AromaticContact CG-NE1 4Å; H681-W832 AromaticContact NE2-CD1 3.76Å; H681-W832 AromaticContact NE2-CG 3.9Å; H681-W832 AromaticContact NE2-NE1 3.96Å
682	E	85.1	Confident	88.1	Confident	118 Å²	118	43.5 Å²	43.5	55%	0.551	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-27.3	-173.5	-53.2	83.2	171.4	0	0	113.7	V680 W832	V680-E682 PolarHBondContact O-N 2.76Å; E682-W832 PolarHBondContact OE2-NE1 3.16Å; E682-W832 VanDerWaalsContact OE2-NE1 3.1Å
683	Y	87.7	Confident	88.2	Confident	65 Å²	65	39.6 Å²	39.6	26%	0.255	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	9.9	-180	-56.1	-40	0	0	0	113.1	H681 N685 Y691	H681-Y683 AromaticContact CE1-CD2 3.81Å; H681-Y683 PolarHBondContact ND1-N 2.93Å; H681-Y683 PolarHBondContact O-N 3.33Å; H681-Y683 VanDerWaalsContact O-N 3.16Å; Y683-N685 PolarHBondContact O-N 3.13Å; Y683-N685 VanDerWaalsContact O-N 3.15Å; Y683-Y691 HydrophobicContact CD2-CD1 4.33Å; Y683-Y691 AromaticContact CD2-CE1 3.87Å; Y683-Y691 HydrophobicContact CD2-CE1 3.87Å; Y683-Y691 HydrophobicContact CG-CE1 4.48Å
684	Y	87.8	Confident	88.3	Confident	34 Å²	34	39.3 Å²	39.3	13%	0.133	18%	0.184	C	C	.	.			trans	-56.1	120.6	177.4	173.4	-122.7	0	0	0	111.6	A643 H644 R647 V680 H681 A686 D690 Y691 D692	A643-Y684 HydrophobicContact CB-CD1 3.63Å; A643-Y684 HydrophobicContact CB-CD2 3.59Å; A643-Y684 HydrophobicContact CB-CE1 3.89Å; A643-Y684 HydrophobicContact CB-CE2 3.89Å; A643-Y684 HydrophobicContact CB-CG 3.47Å; A643-Y684 VanDerWaalsContact CB-CG 3.47Å; H644-Y684 VanDerWaalsContact CA-OH 3.26Å; H644-Y684 WeakPolarHBondContact CA-OH 3.39Å; H644-Y684 WeakPolarHBondContact CB-OH 3.42Å; R647-Y684 HydrophobicContact CB-CE1 4.18Å; R647-Y684 HydrophobicContact CG-CE1 4.24Å; V680-Y684 HydrophobicContact CG1-CD1 3.99Å; V680-Y684 HydrophobicContact CG1-CG 4.25Å; H681-Y684 WeakPolarHBondContact O-CB 3.11Å; H681-Y684 PolarHBondContact O-N 2.82Å; Y684-A686 HydrophobicContact CE1-CB 4.13Å; Y684-D690 WeakPolarHBondContact CA-O 3.39Å; Y684-D690 WeakPolarHBondContact CD2-O 3.28Å; Y684-Y691 WeakPolarHBondContact CD2-O 3.48Å; Y684-D692 HydrophobicContact CD2-CB 4.14Å; Y684-D692 HydrophobicContact CE2-CB 3.85Å
685	N	81.2	Confident	88.4	Confident	33 Å²	33	33.7 Å²	33.7	18%	0.176	16%	0.157	C	C	.	.			trans	-111.3	116.6	178	-175	-43	0	0	0	110.1	M432 Y683 Y687 T688 F689 D690	M432-N685 PolarHBondContact SD-ND2 3.04Å; M432-N685 VanDerWaalsContact SD-ND2 3.45Å; Y683-N685 PolarHBondContact O-N 3.13Å; Y683-N685 VanDerWaalsContact O-N 3.15Å; N685-Y687 VanDerWaalsContact C-N 3.29Å; N685-Y687 PolarHBondContact O-N 2.86Å; N685-Y687 WeakPolarHBondContact OD1-CA 3.5Å; N685-Y687 WeakPolarHBondContact OD1-CB 3.38Å; N685-Y687 PolarHBondContact OD1-N 2.82Å; N685-T688 WeakPolarHBondContact CB-OG1 3.42Å; N685-T688 VanDerWaalsContact CG-OG1 3.31Å; N685-T688 PolarHBondContact OD1-N 2.89Å; N685-T688 PolarHBondContact OD1-OG1 3Å; N685-F689 WeakPolarHBondContact O-CA 3.36Å; N685-F689 PolarHBondContact O-N 3.03Å; N685-D690 PolarHBondContact N-O 2.95Å
686	A	81.4	Confident	88.6	Confident	17 Å²	17	33.3 Å²	33.3	14%	0.14	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-6.1	-174.3	0	0	0	0	0	115.9	Y684	Y684-A686 HydrophobicContact CE1-CB 4.13Å
687	Y	78.3	Confident	89	Confident	114 Å²	114	32.9 Å²	32.9	45%	0.447	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-43.8	175.8	-63.5	-96.6	0	0	0	110.4	K415 A418 N685	K415-Y687 HydrophobicContact CB-CD1 4.31Å; K415-Y687 HydrophobicContact CB-CE1 4.13Å; K415-Y687 HydrophobicContact CD-CD1 4.14Å; K415-Y687 HydrophobicContact CD-CE1 4.46Å; A418-Y687 HydrophobicContact CB-CD2 4.1Å; A418-Y687 HydrophobicContact CB-CE2 3.25Å; N685-Y687 VanDerWaalsContact C-N 3.29Å; N685-Y687 PolarHBondContact O-N 2.86Å; N685-Y687 WeakPolarHBondContact OD1-CA 3.5Å; N685-Y687 WeakPolarHBondContact OD1-CB 3.38Å; N685-Y687 PolarHBondContact OD1-N 2.82Å
688	T	82.1	Confident	89.5	Confident	28 Å²	28	30.3 Å²	30.3	17%	0.172	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-15	179.2	60.3	0	0	0	0	113.2	M432 N685 D690 M771	M432-T688 HydrophobicContact SD-CG2 4.36Å; N685-T688 WeakPolarHBondContact CB-OG1 3.42Å; N685-T688 VanDerWaalsContact CG-OG1 3.31Å; N685-T688 PolarHBondContact OD1-N 2.89Å; N685-T688 PolarHBondContact OD1-OG1 3Å; T688-D690 PolarHBondContact O-N 2.84Å; T688-D690 WeakPolarHBondContact OG1-CB 3.39Å; T688-D690 PolarHBondContact OG1-N 3.19Å; T688-M771 VanDerWaalsContact O-CE 3.25Å; T688-M771 WeakPolarHBondContact O-CE 3.06Å
689	F	88.2	Confident	89.5	Confident	57 Å²	57	34 Å²	34	25%	0.25	16%	0.159	C	C	.	.			trans	58.5	19.2	-167.2	-65.6	-100.6	0	0	0	113.5	H644 N685 D692 M771 W810	H644-F689 HydrophobicContact CB-CD1 4.16Å; H644-F689 HydrophobicContact CB-CE1 3.84Å; N685-F689 WeakPolarHBondContact O-CA 3.36Å; N685-F689 PolarHBondContact O-N 3.03Å; F689-D692 HydrophobicContact CB-CB 4.46Å; F689-D692 WeakPolarHBondContact O-CB 3.44Å; F689-D692 PolarHBondContact O-N 3.11Å; F689-M771 VanDerWaalsContact C-CE 3.42Å; F689-M771 HydrophobicContact CB-CE 4.49Å; F689-M771 WeakPolarHBondContact O-CE 3.16Å; F689-W810 VanDerWaalsContact CB-CD1 3.42Å; F689-W810 HydrophobicContact CB-CG 4.32Å; F689-W810 HydrophobicContact CD1-CB 4.4Å; F689-W810 HydrophobicContact CD2-CG 4.32Å; F689-W810 HydrophobicContact CG-CB 4.46Å; F689-W810 AromaticContact CG-CD1 3.7Å; F689-W810 HydrophobicContact CG-CG 4.16Å
690	D	90.2	Very high	89.6	Confident	14 Å²	14	42.8 Å²	42.8	8%	0.075	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	146.4	172.8	-156.7	23.1	0	0	0	109.5	Y684 N685 T688 D692 T768 M771	Y684-D690 WeakPolarHBondContact CA-O 3.39Å; Y684-D690 WeakPolarHBondContact CD2-O 3.28Å; N685-D690 PolarHBondContact N-O 2.95Å; T688-D690 PolarHBondContact O-N 2.84Å; T688-D690 WeakPolarHBondContact OG1-CB 3.39Å; T688-D690 PolarHBondContact OG1-N 3.19Å; D690-D692 VanDerWaalsContact C-N 3.25Å; D690-D692 PolarHBondContact O-N 3.24Å; D690-T768 HydrophobicContact CB-CG2 4.25Å; D690-T768 PolarHBondContact OD1-OG1 3.28Å; D690-M771 HydrophobicContact CB-CE 4.1Å
691	Y	93.1	Very high	89.8	Confident	18 Å²	18	44.2 Å²	44.2	7%	0.071	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	34	-173.3	-62.9	-97.7	0	0	0	113.7	G435 H681 Y683 Y684 I693 F829	G435-Y691 WeakPolarHBondContact CA-OH 3.37Å; G435-Y691 PolarHBondContact N-OH 3.08Å; H681-Y691 AromaticContact CD2-CD1 3.77Å; H681-Y691 AromaticContact CE1-CD1 3.39Å; H681-Y691 WeakPolarHBondContact CE1-CD1 3.33Å; H681-Y691 AromaticContact CE1-CE1 3.76Å; H681-Y691 AromaticContact CG-CD1 3.92Å; H681-Y691 AromaticContact ND1-CD1 3.71Å; H681-Y691 AromaticContact NE2-CD1 3.4Å; H681-Y691 WeakPolarHBondContact NE2-CD1 3.43Å; H681-Y691 AromaticContact NE2-CE1 3.8Å; Y683-Y691 HydrophobicContact CD2-CD1 4.33Å; Y683-Y691 AromaticContact CD2-CE1 3.87Å; Y683-Y691 HydrophobicContact CD2-CE1 3.87Å; Y683-Y691 HydrophobicContact CG-CE1 4.48Å; Y684-Y691 WeakPolarHBondContact CD2-O 3.48Å; Y691-I693 PolarHBondContact O-N 2.64Å; Y691-F829 AromaticContact CD1-CE1 3.49Å; Y691-F829 HydrophobicContact CD1-CE1 3.49Å; Y691-F829 VanDerWaalsContact CD1-CE1 3.49Å; Y691-F829 HydrophobicContact CD1-CZ 4.04Å; Y691-F829 AromaticContact CE1-CE1 3.92Å; Y691-F829 HydrophobicContact CE1-CE1 3.92Å; Y691-F829 HydrophobicContact CG-CE1 4.27Å; Y691-F829 HydrophobicContact CG-CZ 4.44Å
692	D	95.6	Very high	90	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	20%	0.2	C	C	.	.			trans	-75.9	70.4	179.8	-172.2	29.9	0	0	0	113	A643 H644 Y684 F689 D690 S809 T824	A643-D692 WeakPolarHBondContact CA-OD1 3.1Å; A643-D692 WeakPolarHBondContact CB-OD1 3.13Å; A643-D692 PolarHBondContact N-OD1 3.2Å; H644-D692 IonicContact CE1-OD2 2.84Å; H644-D692 IonicContact CG-OD1 3.58Å; H644-D692 IonicContact CG-OD2 2.58Å; H644-D692 PolarHBondContact N-OD1 3.33Å; H644-D692 IonicContact ND1-OD1 3.44Å; H644-D692 PolarHBondContact ND1-OD1 3.32Å; H644-D692 IonicContact ND1-OD2 2.79Å; H644-D692 PolarHBondContact ND1-OD2 3.27Å; Y684-D692 HydrophobicContact CD2-CB 4.14Å; Y684-D692 HydrophobicContact CE2-CB 3.85Å; F689-D692 HydrophobicContact CB-CB 4.46Å; F689-D692 WeakPolarHBondContact O-CB 3.44Å; F689-D692 PolarHBondContact O-N 3.11Å; D690-D692 VanDerWaalsContact C-N 3.25Å; D690-D692 PolarHBondContact O-N 3.24Å; D692-S809 WeakPolarHBondContact OD2-CB 3.09Å; D692-S809 PolarHBondContact OD2-OG 2.96Å; D692-T824 PolarHBondContact O-OG1 2.92Å
693	I	96.8	Very high	90.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.189	C	C	.	.			trans	-141.7	140.2	178.9	-172.4	172	0	0	0	111.1	V640 H681 Y691 I807 T824 F829 W832 I833	V640-I693 HydrophobicContact CG2-CD1 4.03Å; V640-I693 HydrophobicContact CG2-CG1 3.91Å; H681-I693 HydrophobicContact CB-CG2 3.77Å; H681-I693 PolarHBondContact N-O 3.19Å; Y691-I693 PolarHBondContact O-N 2.64Å; I693-I807 HydrophobicContact CB-CD1 4.48Å; I693-I807 HydrophobicContact CD1-CD1 3.88Å; I693-I807 HydrophobicContact CG1-CD1 3.8Å; I693-T824 HydrophobicContact CB-CG2 4.31Å; I693-F829 HydrophobicContact CD1-CB 3.8Å; I693-F829 HydrophobicContact CD1-CD2 4.44Å; I693-F829 HydrophobicContact CD1-CG 4.11Å; I693-F829 HydrophobicContact CG2-CD1 3.98Å; I693-F829 HydrophobicContact CG2-CE1 4.2Å; I693-F829 HydrophobicContact CG2-CG 4.18Å; I693-W832 HydrophobicContact CD1-CE3 4.24Å; I693-W832 HydrophobicContact CD1-CZ3 3.96Å; I693-W832 HydrophobicContact CG1-CZ3 3.93Å; I693-W832 HydrophobicContact CG2-CE3 4.32Å; I693-W832 HydrophobicContact CG2-CH2 4.39Å; I693-W832 HydrophobicContact CG2-CZ3 3.98Å; I693-I833 HydrophobicContact CD1-CD1 4.03Å; I693-I833 HydrophobicContact CD1-CG1 4.18Å
694	A	96.1	Very high	90.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	147.3	173.2	0	0	0	0	0	111.7	V640 S641 F646 V679 V680	V640-A694 WeakPolarHBondContact CA-O 3.29Å; S641-A694 PolarHBondContact N-O 3.07Å; S641-A694 PolarHBondContact O-N 3.1Å; F646-A694 HydrophobicContact CD2-CB 3.64Å; F646-A694 HydrophobicContact CE2-CB 3.76Å; V679-A694 CarbonylContact O-C 3.39Å; V679-A694 WeakPolarHBondContact O-CA 3.42Å; V679-A694 WeakPolarHBondContact O-CB 3.1Å; V680-A694 HydrophobicContact CG2-CB 4.18Å
695	L	96.1	Very high	90.6	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	143.7	172	-63.3	173	0	0	0	110.1	L634 W638 L639 V640 I678 V679 W832 I833 H836 I837	L634-L695 HydrophobicContact CD1-CD2 3.79Å; W638-L695 HydrophobicContact CE3-CB 4.05Å; W638-L695 HydrophobicContact CZ3-CB 3.82Å; W638-L695 HydrophobicContact CZ3-CD1 4.39Å; L639-L695 WeakPolarHBondContact O-CA 3.18Å; V640-L695 HydrophobicContact CB-CD2 4Å; V640-L695 HydrophobicContact CG2-CD2 4.04Å; I678-L695 WeakPolarHBondContact CA-O 3.02Å; V679-L695 HydrophobicContact CB-CB 4.34Å; V679-L695 PolarHBondContact N-O 3.27Å; V679-L695 PolarHBondContact O-N 3.19Å; L695-W832 HydrophobicContact CD1-CE3 4.42Å; L695-W832 HydrophobicContact CD1-CH2 4.07Å; L695-W832 HydrophobicContact CD1-CZ3 3.87Å; L695-W832 HydrophobicContact CD2-CZ3 4.43Å; L695-W832 HydrophobicContact CG-CH2 3.88Å; L695-W832 HydrophobicContact CG-CZ3 3.69Å; L695-I833 HydrophobicContact CD2-CG1 4.42Å; L695-I833 HydrophobicContact CD2-CG2 4.31Å; L695-H836 HydrophobicContact CD1-CB 3.57Å; L695-I837 HydrophobicContact CD1-CG2 4.39Å
696	L	95.3	Very high	91	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	128.9	173.4	-53.7	90.6	0	0	0	109.1	L621 L639 F646 I675 R677 I678	L621-L696 HydrophobicContact CD1-CD1 4.32Å; L621-L696 HydrophobicContact CD1-CD2 4.06Å; L621-L696 HydrophobicContact CD2-CD2 4.09Å; L639-L696 HydrophobicContact CB-CB 4.25Å; L639-L696 HydrophobicContact CB-CD1 4.38Å; L639-L696 PolarHBondContact N-O 3.26Å; L639-L696 PolarHBondContact O-N 2.93Å; F646-L696 HydrophobicContact CE1-CD2 3.79Å; F646-L696 HydrophobicContact CE2-CD1 4.18Å; F646-L696 HydrophobicContact CZ-CD1 3.85Å; F646-L696 HydrophobicContact CZ-CD2 3.65Å; F646-L696 HydrophobicContact CZ-CG 4.05Å; I675-L696 HydrophobicContact CD1-CB 4.33Å; I675-L696 HydrophobicContact CD1-CD2 4.04Å; I675-L696 HydrophobicContact CG1-CD2 4.21Å; I675-L696 HydrophobicContact CG2-CB 4.3Å; I675-L696 HydrophobicContact CG2-CD2 4.25Å; R677-L696 WeakPolarHBondContact O-CA 3.29Å; I678-L696 HydrophobicContact CG1-CD2 4.27Å; I678-L696 HydrophobicContact CG1-CG 4.45Å
697	Q	93.8	Very high	91.1	Very high	27 Å²	27	50.1 Å²	50.1	13%	0.126	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	129.7	171.7	-165.1	176.4	19.2	0	0	109.8	D637 W638 Q676 R677	D637-Q697 CarbonylContact O-C 3.5Å; D637-Q697 WeakPolarHBondContact O-CA 3Å; D637-Q697 PolarHBondContact OD2-NE2 2.91Å; W638-Q697 HydrophobicContact CD2-CB 4.24Å; W638-Q697 HydrophobicContact CD2-CG 4.2Å; W638-Q697 HydrophobicContact CE3-CB 3.99Å; W638-Q697 HydrophobicContact CE3-CG 4.45Å; W638-Q697 HydrophobicContact CH2-CB 4.16Å; W638-Q697 HydrophobicContact CZ2-CB 4.35Å; W638-Q697 HydrophobicContact CZ2-CG 4.21Å; W638-Q697 HydrophobicContact CZ3-CB 3.94Å; Q676-Q697 PolarHBondContact N-O 2.9Å; R677-Q697 HydrophobicContact CG-CB 3.59Å; R677-Q697 PolarHBondContact O-N 2.04Å
698	L	93.7	Very high	91.5	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.016	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	139.3	173.4	-57.7	-175.4	0	0	0	110	D637 L639 A659 A673 I675 R700	D637-L698 PolarHBondContact O-N 2.91Å; L639-L698 HydrophobicContact CD1-CD2 3.75Å; L639-L698 HydrophobicContact CG-CD2 4.12Å; L639-L698 HydrophobicContact CG-CG 4.37Å; A659-L698 HydrophobicContact CB-CD2 4.03Å; A673-L698 HydrophobicContact CB-CD1 4.07Å; A673-L698 HydrophobicContact CB-CD2 3.78Å; A673-L698 HydrophobicContact CB-CG 4.35Å; I675-L698 HydrophobicContact CD1-CD2 3.81Å; L698-R700 WeakPolarHBondContact CB-O 3.35Å; L698-R700 PolarHBondContact O-N 3.37Å
699	K	88.3	Confident	91.9	Very high	110 Å²	110	46.9 Å²	46.9	48%	0.478	24%	0.24	S	C	.	.	S	Bend	trans	-66.6	-25.4	175.8	-172.6	175.3	176.8	-178.5	0	113.4	E674 Q676	E674-K699 HydrophobicContact CB-CB 4.13Å; E674-K699 HydrophobicContact CB-CD 4.08Å; E674-K699 PolarHBondContact O-N 2.85Å; E674-K699 WeakPolarHBondContact OE2-CD 3.42Å; E674-K699 IonicContact OE2-NZ 3.33Å; E674-K699 PolarHBondContact OE2-NZ 3.04Å; Q676-K699 HydrophobicContact CB-CB 4.06Å
700	R	90.8	Very high	92.2	Very high	195 Å²	195	44.2 Å²	44.2	74%	0.736	23%	0.228	S	C	*	.	S	Bend	trans	-138.7	136.5	172.7	-66.2	-175.7	-179.7	174.3	0.7	108.2	L698	L698-R700 WeakPolarHBondContact CB-O 3.35Å; L698-R700 PolarHBondContact O-N 3.37Å
701	P	94.1	Very high	92.3	Very high	80 Å²	80	43.8 Å²	43.8	52%	0.519	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-64.1	148.8	175.5	26.9	-33.5	0	0	0	110.5	S636 D637	S636-P701 CarbonylContact O-C 3.55Å; S636-P701 WeakPolarHBondContact O-CA 3.45Å; S636-P701 WeakPolarHBondContact O-CB 3.43Å; D637-P701 HydrophobicContact CB-CB 4.28Å
702	W	94.4	Very high	92.4	Very high	14 Å²	14	43.7 Å²	43.7	5%	0.053	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-70.9	144.4	173.1	56.1	-98.1	0	0	0	110.3	S635 S636 L661 L706 W707 V710	S635-W702 PolarHBondContact O-NE1 2.92Å; S636-W702 VanDerWaalsContact CA-NE1 3.31Å; S636-W702 PolarHBondContact O-N 3.02Å; S636-W702 PolarHBondContact O-NE1 2.89Å; L661-W702 HydrophobicContact CD2-CG 4.41Å; W702-L706 HydrophobicContact CE3-CB 4.46Å; W702-W707 AromaticContact CH2-CE3 3.78Å; W702-W707 HydrophobicContact CH2-CE3 3.78Å; W702-W707 AromaticContact CH2-CZ3 3.98Å; W702-W707 HydrophobicContact CH2-CZ3 3.98Å; W702-W707 HydrophobicContact CZ3-CE3 4.25Å; W702-V710 HydrophobicContact CD2-CB 4.36Å; W702-V710 HydrophobicContact CD2-CG1 3.68Å; W702-V710 HydrophobicContact CE3-CB 4.29Å; W702-V710 HydrophobicContact CE3-CG1 4.1Å; W702-V710 HydrophobicContact CG-CG1 3.95Å; W702-V710 HydrophobicContact CZ2-CG1 4.27Å
703	P	93.3	Very high	92.4	Very high	48 Å²	48	43.9 Å²	43.9	31%	0.312	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-73.4	139.5	-172.9	27	-34.9	0	0	0	112.2	S705 L706	P703-S705 PolarHBondContact O-N 2.9Å; P703-L706 HydrophobicContact CG-CD1 3.7Å; P703-L706 HydrophobicContact CG-CG 3.98Å; P703-L706 WeakPolarHBondContact O-CB 3.39Å; P703-L706 PolarHBondContact O-N 2.83Å
704	P	89	Confident	92.2	Very high	107 Å²	107	43.9 Å²	43.9	70%	0.695	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-56.2	-21.8	178.3	-27.3	34.5	0	0	0	114.9	L706 W707	P704-L706 PolarHBondContact O-N 3.27Å; P704-L706 VanDerWaalsContact O-N 3.11Å; P704-W707 WeakPolarHBondContact O-CB 3.35Å; P704-W707 PolarHBondContact O-N 3.13Å; P704-W707 VanDerWaalsContact O-N 3.11Å
705	S	90.4	Very high	92.1	Very high	101 Å²	101	44.5 Å²	44.5	71%	0.706	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-62.3	-14.4	174.9	55.7	0	0	0	0	114.1	P703	P703-S705 PolarHBondContact O-N 2.9Å
706	L	90.1	Very high	91.9	Very high	25 Å²	25	44.5 Å²	44.5	13%	0.131	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-89.7	3.2	176.1	-66.9	174	0	0	0	114	K670 H671 W702 P703 P704 P708 L709 V710	K670-L706 HydrophobicContact CB-CD2 4.02Å; H671-L706 HydrophobicContact CB-CD1 3.61Å; W702-L706 HydrophobicContact CE3-CB 4.46Å; P703-L706 HydrophobicContact CG-CD1 3.7Å; P703-L706 HydrophobicContact CG-CG 3.98Å; P703-L706 WeakPolarHBondContact O-CB 3.39Å; P703-L706 PolarHBondContact O-N 2.83Å; P704-L706 PolarHBondContact O-N 3.27Å; P704-L706 VanDerWaalsContact O-N 3.11Å; L706-P708 VanDerWaalsContact C-N 3.29Å; L706-P708 WeakPolarHBondContact O-CD 3.46Å; L706-L709 CarbonylContact O-C 3.6Å; L706-L709 WeakPolarHBondContact O-CA 3.39Å; L706-L709 PolarHBondContact O-N 3.26Å; L706-V710 HydrophobicContact CB-CB 4.13Å; L706-V710 HydrophobicContact CB-CG2 4.04Å; L706-V710 HydrophobicContact CD1-CG2 4.32Å; L706-V710 PolarHBondContact O-N 3.34Å
707	W	84.6	Confident	91.6	Very high	112 Å²	112	45.4 Å²	45.4	42%	0.424	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.6	-32.9	-177.2	-167.4	-96.5	0	0	0	116.5	A585 W702 P704 L709 Q711	A585-W707 HydrophobicContact CB-CH2 4.26Å; A585-W707 HydrophobicContact CB-CZ2 4.47Å; W702-W707 AromaticContact CH2-CE3 3.78Å; W702-W707 HydrophobicContact CH2-CE3 3.78Å; W702-W707 AromaticContact CH2-CZ3 3.98Å; W702-W707 HydrophobicContact CH2-CZ3 3.98Å; W702-W707 HydrophobicContact CZ3-CE3 4.25Å; P704-W707 WeakPolarHBondContact O-CB 3.35Å; P704-W707 PolarHBondContact O-N 3.13Å; P704-W707 VanDerWaalsContact O-N 3.11Å; W707-L709 VanDerWaalsContact C-N 3.3Å; W707-L709 PolarHBondContact O-N 3.24Å; W707-Q711 HydrophobicContact CD2-CG 4.41Å; W707-Q711 VanDerWaalsContact O-CD 3.27Å; W707-Q711 WeakPolarHBondContact O-CG 3.46Å; W707-Q711 PolarHBondContact O-NE2 3.29Å
708	P	86.3	Confident	91.1	Very high	51 Å²	51	47.9 Å²	47.9	33%	0.331	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-15.1	173.9	26.9	-33.6	0	0	0	114.8	L592 L706	L592-P708 HydrophobicContact CD2-CB 4.15Å; L706-P708 VanDerWaalsContact C-N 3.29Å; L706-P708 WeakPolarHBondContact O-CD 3.46Å
709	L	90.2	Very high	90.6	Very high	23 Å²	23	48.3 Å²	48.3	12%	0.12	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-21.1	-173.3	-62.4	174.5	0	0	0	113.3	L592 E612 P616 G662 K670 L706 W707	L592-L709 HydrophobicContact CD1-CD2 3.73Å; L592-L709 HydrophobicContact CD1-CG 4.49Å; E612-L709 HydrophobicContact CG-CD2 3.89Å; P616-L709 WeakPolarHBondContact CA-O 3.21Å; G662-L709 WeakPolarHBondContact CA-O 3.34Å; K670-L709 HydrophobicContact CD-CD1 4.05Å; K670-L709 HydrophobicContact CG-CD1 3.89Å; L706-L709 CarbonylContact O-C 3.6Å; L706-L709 WeakPolarHBondContact O-CA 3.39Å; L706-L709 PolarHBondContact O-N 3.26Å; W707-L709 VanDerWaalsContact C-N 3.3Å; W707-L709 PolarHBondContact O-N 3.24Å
710	V	93.9	Very high	90.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.242	C	C	.	.			trans	-133.6	116.9	179.3	-175.1	0	0	0	0	108.1	P616 V633 L661 W702 L706	P616-V710 WeakPolarHBondContact O-CA 3.32Å; V633-V710 HydrophobicContact CG2-CG1 4.23Å; L661-V710 HydrophobicContact CB-CG1 4.3Å; L661-V710 HydrophobicContact CB-CG2 3.87Å; L661-V710 HydrophobicContact CD2-CG1 3.73Å; W702-V710 HydrophobicContact CD2-CB 4.36Å; W702-V710 HydrophobicContact CD2-CG1 3.68Å; W702-V710 HydrophobicContact CE3-CB 4.29Å; W702-V710 HydrophobicContact CE3-CG1 4.1Å; W702-V710 HydrophobicContact CG-CG1 3.95Å; W702-V710 HydrophobicContact CZ2-CG1 4.27Å; L706-V710 HydrophobicContact CB-CB 4.13Å; L706-V710 HydrophobicContact CB-CG2 4.04Å; L706-V710 HydrophobicContact CD1-CG2 4.32Å; L706-V710 PolarHBondContact O-N 3.34Å
711	Q	93.3	Very high	90.3	Very high	6 Å²	6	37.1 Å²	37.1	3%	0.028	22%	0.223	C	C	.	.			trans	-146.3	151.2	179.1	-62.6	-177	28.4	0	0	109.6	L588 P616 W617 W707	L588-Q711 PolarHBondContact O-OE1 2.71Å; P616-Q711 HydrophobicContact CB-CB 3.96Å; P616-Q711 HydrophobicContact CB-CG 4.04Å; P616-Q711 HydrophobicContact CG-CB 3.9Å; P616-Q711 HydrophobicContact CG-CG 4.13Å; P616-Q711 PolarHBondContact O-N 3.03Å; W617-Q711 WeakPolarHBondContact CA-O 3.07Å; W617-Q711 VanDerWaalsContact CB-O 3.28Å; W617-Q711 WeakPolarHBondContact CB-O 3.25Å; W617-Q711 PolarHBondContact N-O 2.84Å; W707-Q711 HydrophobicContact CD2-CG 4.41Å; W707-Q711 VanDerWaalsContact O-CD 3.27Å; W707-Q711 WeakPolarHBondContact O-CG 3.46Å; W707-Q711 PolarHBondContact O-NE2 3.29Å
712	P	94.8	Very high	89.9	Confident	15 Å²	15	34.9 Å²	34.9	10%	0.097	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-71.9	146.8	173.8	31	-34.4	0	0	0	111.8	C586 G587 V633 L634	C586-P712 CarbonylContact C-O 3.48Å; C586-P712 WeakPolarHBondContact CA-O 3.23Å; C586-P712 HydrophobicContact CB-CG 4.2Å; G587-P712 PolarHBondContact N-O 3.23Å; V633-P712 HydrophobicContact CG1-CB 4.34Å; V633-P712 VanDerWaalsContact O-CA 3.32Å; V633-P712 WeakPolarHBondContact O-CA 3.03Å; L634-P712 VanDerWaalsContact O-CB 3.27Å; L634-P712 WeakPolarHBondContact O-CB 3.45Å
713	V	95.3	Very high	89.3	Confident	4 Å²	4	37 Å²	37	2%	0.024	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-83.7	147.6	166.9	63.3	0	0	0	0	109.9	W617 V633 L634 L715 L804	W617-V713 HydrophobicContact CB-CB 3.81Å; W617-V713 HydrophobicContact CB-CG1 4.34Å; W617-V713 HydrophobicContact CD2-CB 3.88Å; W617-V713 HydrophobicContact CD2-CG2 4.14Å; W617-V713 HydrophobicContact CE3-CB 4.36Å; W617-V713 HydrophobicContact CG-CB 3.64Å; W617-V713 HydrophobicContact CG-CG1 4.45Å; W617-V713 HydrophobicContact CG-CG2 4.24Å; V633-V713 PolarHBondContact O-N 3.11Å; L634-V713 HydrophobicContact CD2-CG1 4.41Å; V713-L715 PolarHBondContact O-N 3.4Å; V713-L804 HydrophobicContact CB-CB 4.42Å; V713-L804 HydrophobicContact CG1-CB 3.68Å; V713-L804 HydrophobicContact CG1-CD1 4.42Å; V713-L804 HydrophobicContact CG1-CD2 4.04Å; V713-L804 HydrophobicContact CG1-CG 4.25Å; V713-L804 HydrophobicContact CG2-CB 3.85Å
714	C	93.8	Very high	88.7	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.007	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-70.8	132.6	179.5	-63.4	0	0	0	0	111.8	C586 W802 F803 L804	C586-C714 HydrophobicContact CB-CB 4.04Å; C586-C714 WeakPolarHBondContact CB-SG 3.23Å; C586-C714 PolarHBondContact O-SG 3.43Å; C586-C714 WeakPolarHBondContact SG-CA 3.19Å; C586-C714 WeakPolarHBondContact SG-CB 3.37Å; C586-C714 CovalentContact SG-SG 2.04Å; C586-C714 PolarHBondContact SG-SG 3.08Å; C714-W802 WeakPolarHBondContact CB-O 3Å; C714-W802 PolarHBondContact N-O 2.94Å; C714-F803 HydrophobicContact CB-CD1 3.54Å; C714-F803 HydrophobicContact CB-CE1 3.62Å; C714-F803 HydrophobicContact CB-CG 4.07Å; C714-F803 HydrophobicContact CB-CZ 4.2Å; C714-F803 WeakPolarHBondContact O-CA 3.21Å; C714-L804 PolarHBondContact O-N 2.81Å
715	L	93.5	Very high	88.3	Confident	13 Å²	13	39.7 Å²	39.7	7%	0.068	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-82.6	125.3	170.9	-74.6	175.4	0	0	0	110.4	K568 L634 V713 V826 I833 Y834 I837	K568-L715 PolarHBondContact NZ-O 3.36Å; L634-L715 HydrophobicContact CD2-CD1 4.26Å; L634-L715 HydrophobicContact CD2-CD2 3.63Å; L634-L715 HydrophobicContact CD2-CG 3.97Å; V713-L715 PolarHBondContact O-N 3.4Å; L715-V826 HydrophobicContact CD2-CG1 4.12Å; L715-I833 HydrophobicContact CD1-CG2 3.73Å; L715-I833 HydrophobicContact CD2-CD1 3.99Å; L715-Y834 HydrophobicContact CD1-CE1 4.37Å; L715-I837 HydrophobicContact CD1-CD1 4.45Å
716	P	91.8	Very high	88.1	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-73.3	143.7	179.8	31.5	-36	0	0	0	111.1	H720 F803 L804 I805 V826 T827 T830	P716-H720 HydrophobicContact CB-CB 3.7Å; P716-F803 HydrophobicContact CB-CD1 4.26Å; P716-L804 VanDerWaalsContact CD-O 3.23Å; P716-L804 WeakPolarHBondContact CD-O 2.97Å; P716-L804 WeakPolarHBondContact CG-O 3.13Å; P716-I805 HydrophobicContact CB-CD1 4.19Å; P716-I805 HydrophobicContact CG-CD1 4.29Å; P716-V826 HydrophobicContact CG-CB 4.46Å; P716-V826 HydrophobicContact CG-CG1 4.13Å; P716-T827 HydrophobicContact CB-CG2 3.88Å; P716-T827 HydrophobicContact CG-CG2 3.73Å; P716-T830 WeakPolarHBondContact O-CG2 3.28Å; P716-T830 PolarHBondContact O-OG1 2.83Å
717	P	87.6	Confident	88	Confident	19 Å²	19	40.8 Å²	40.8	12%	0.123	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-64.6	161.2	166.4	30.2	-35.4	0	0	0	110.6	Y554 K568 S719 H720	Y554-P717 HydrophobicContact CD2-CB 4.23Å; Y554-P717 HydrophobicContact CD2-CG 4.1Å; Y554-P717 HydrophobicContact CE2-CB 3.92Å; Y554-P717 HydrophobicContact CE2-CG 3.87Å; K568-P717 HydrophobicContact CB-CG 4.19Å; K568-P717 HydrophobicContact CD-CG 4.41Å; P717-S719 PolarHBondContact O-N 2.92Å; P717-H720 HydrophobicContact CG-CB 3.99Å; P717-H720 WeakPolarHBondContact O-CB 3.48Å; P717-H720 PolarHBondContact O-N 3.11Å
718	S	84.7	Confident	88.3	Confident	78 Å²	78	35.5 Å²	35.5	55%	0.545	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-23.9	-178.7	-61.9	0	0	0	0	114.1	H720 T827	S718-H720 VanDerWaalsContact C-N 3.34Å; S718-T827 PolarHBondContact OG-O 3.25Å
719	S	83.3	Confident	88.6	Confident	13 Å²	13	33.4 Å²	33.4	9%	0.091	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	0.2	175.6	64.2	0	0	0	0	113.9	P717 T721	P717-S719 PolarHBondContact O-N 2.92Å; S719-T721 PolarHBondContact O-N 2.9Å
720	H	87.3	Confident	88.7	Confident	17 Å²	17	32.7 Å²	32.7	8%	0.079	18%	0.182	C	C	.	.			trans	-66.6	129	-178.8	-165.2	112.9	0	0	0	110.3	N566 P716 P717 S718 F803 T827	N566-H720 VanDerWaalsContact OD1-CA 3.28Å; N566-H720 WeakPolarHBondContact OD1-CA 3.5Å; N566-H720 PolarHBondContact OD1-CD2 3.33Å; N566-H720 VanDerWaalsContact OD1-CG 3.26Å; P716-H720 HydrophobicContact CB-CB 3.7Å; P717-H720 HydrophobicContact CG-CB 3.99Å; P717-H720 WeakPolarHBondContact O-CB 3.48Å; P717-H720 PolarHBondContact O-N 3.11Å; S718-H720 VanDerWaalsContact C-N 3.34Å; H720-F803 AromaticContact CE1-CD2 3.87Å; H720-F803 AromaticContact CE1-CG 3.77Å; H720-T827 HydrophobicContact CB-CG2 4.07Å
721	T	84.9	Confident	88.6	Confident	53 Å²	53	32.8 Å²	32.8	33%	0.325	18%	0.183	S	C	.	.			trans	-116.7	138.5	-178.3	55.5	0	0	0	0	110.6	K565 N566 S719	K565-T721 HydrophobicContact CD-CG2 4.44Å; N566-T721 PolarHBondContact ND2-O 2.99Å; N566-T721 PolarHBondContact OD1-N 3.15Å; N566-T721 PolarHBondContact OD1-O 2.63Å; S719-T721 PolarHBondContact O-N 2.9Å
722	V	86.2	Confident	88.4	Confident	32 Å²	32	32.7 Å²	32.7	19%	0.194	18%	0.183	C	C	.	.			trans	-129.7	132.8	178.4	-169.8	0	0	0	0	108.7	H726 I754 C794 I805	V722-H726 HydrophobicContact CG1-CB 3.7Å; V722-I754 HydrophobicContact CG1-CG1 3.82Å; V722-C794 HydrophobicContact CG1-CB 4.28Å; V722-I805 HydrophobicContact CB-CG2 4.47Å; V722-I805 HydrophobicContact CG2-CD1 3.61Å; V722-I805 HydrophobicContact CG2-CG1 3.83Å; V722-I805 HydrophobicContact CG2-CG2 3.89Å
723	T	82.4	Confident	88.1	Confident	59 Å²	59	32.1 Å²	32.1	36%	0.362	18%	0.179	S	C	.	.			trans	-113	175.9	179	58.6	0	0	0	0	110.6	T725 H726	T723-T725 PolarHBondContact O-N 2.94Å; T723-T725 PolarHBondContact OG1-OG1 3.4Å; T723-H726 PolarHBondContact N-ND1 2.02Å; T723-H726 PolarHBondContact O-N 3.39Å; T723-H726 PolarHBondContact OG1-CE1 3.35Å; T723-H726 PolarHBondContact OG1-ND1 3.22Å
724	D	79.1	Confident	87.4	Confident	113 Å²	113	32.1 Å²	32.1	60%	0.604	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-18.8	176	61.4	-20.8	0	0	0	113.8	H726	D724-H726 VanDerWaalsContact C-N 3.31Å
725	T	80.3	Confident	86.4	Confident	99 Å²	99	35.4 Å²	35.4	61%	0.607	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-19.2	174.6	61.3	0	0	0	0	113.3	T723	T723-T725 PolarHBondContact O-N 2.94Å; T723-T725 PolarHBondContact OG1-OG1 3.4Å
726	H	86.3	Confident	85.1	Confident	25 Å²	25	41.4 Å²	41.4	12%	0.116	21%	0.214	C	C	.	.	S	Bend	trans	-76.1	140.6	179.4	-70.2	72.1	0	0	0	111.1	V722 T723 D724 C728 S797	V722-H726 HydrophobicContact CG1-CB 3.7Å; T723-H726 PolarHBondContact N-ND1 2.02Å; T723-H726 PolarHBondContact O-N 3.39Å; T723-H726 PolarHBondContact OG1-CE1 3.35Å; T723-H726 PolarHBondContact OG1-ND1 3.22Å; D724-H726 VanDerWaalsContact C-N 3.31Å; H726-C728 PolarHBondContact O-N 2.87Å; H726-S797 PolarHBondContact NE2-OG 2.86Å; H726-S797 VanDerWaalsContact NE2-OG 3.13Å
727	R	88.4	Confident	83.7	Confident	124 Å²	124	43.7 Å²	43.7	47%	0.468	23%	0.23	S	C	.	.			trans	-80	106.9	177.9	-171.1	176	179.9	-152.2	-2.8	110.5	L729 E751 C794 Q795 W802	R727-L729 HydrophobicContact CG-CD1 4.04Å; R727-E751 WeakPolarHBondContact CG-OE1 3.04Å; R727-E751 IonicContact NE-OE1 2.74Å; R727-C794 WeakPolarHBondContact O-CA 3.12Å; R727-Q795 HydrophobicContact CB-CB 4.36Å; R727-Q795 PolarHBondContact O-N 2.94Å; R727-W802 HydrophobicContact CG-CH2 4.4Å
728	C	91.6	Very high	82.8	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	138.1	179.7	-61.3	0	0	0	0	112	H726 E751 V752 L792 S793 C794	H726-C728 PolarHBondContact O-N 2.87Å; C728-E751 WeakPolarHBondContact O-CA 3.17Å; C728-V752 HydrophobicContact CB-CG2 4.32Å; C728-V752 PolarHBondContact O-N 3.22Å; C728-L792 HydrophobicContact CB-CD1 4.19Å; C728-S793 CarbonylContact C-O 3.57Å; C728-S793 WeakPolarHBondContact CA-O 3.31Å; C728-C794 HydrophobicContact CB-CB 4.12Å; C728-C794 WeakPolarHBondContact CB-SG 3.02Å; C728-C794 WeakPolarHBondContact SG-CB 3.25Å; C728-C794 CovalentContact SG-SG 2.04Å; C728-C794 PolarHBondContact SG-SG 3.44Å
729	L	91.8	Very high	81.8	Confident	8 Å²	8	51.2 Å²	51.2	4%	0.042	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	144.9	177.6	-73.6	97.4	0	0	0	112	W615 R727 K749 A750 E751 S793 W802	W615-L729 HydrophobicContact CH2-CB 4.16Å; W615-L729 HydrophobicContact CH2-CD1 4.13Å; W615-L729 HydrophobicContact CH2-CD2 4.18Å; W615-L729 HydrophobicContact CH2-CG 4.39Å; W615-L729 HydrophobicContact CZ2-CB 4.42Å; W615-L729 HydrophobicContact CZ2-CD2 3.84Å; R727-L729 HydrophobicContact CG-CD1 4.04Å; L729-K749 HydrophobicContact CD2-CB 4.14Å; L729-K749 HydrophobicContact CD2-CD 4.41Å; L729-K749 HydrophobicContact CD2-CG 4.36Å; L729-A750 CarbonylContact C-O 3.54Å; L729-A750 VanDerWaalsContact CA-O 3.28Å; L729-A750 WeakPolarHBondContact CA-O 3.42Å; L729-E751 HydrophobicContact CG-CB 4.23Å; L729-S793 PolarHBondContact N-O 3.32Å; L729-S793 PolarHBondContact O-N 2.94Å; L729-W802 HydrophobicContact CB-CZ3 4.44Å; L729-W802 HydrophobicContact CD1-CH2 3.21Å; L729-W802 HydrophobicContact CD1-CZ2 4.32Å; L729-W802 HydrophobicContact CD1-CZ3 3.55Å
730	V	91.7	Very high	81.2	Confident	7 Å²	7	53.6 Å²	53.6	4%	0.042	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	138.5	167.4	-177	0	0	0	0	108.2	K749 A750 V752 A783 L792 V808 Y823	V730-K749 WeakPolarHBondContact O-CA 3.26Å; V730-A750 PolarHBondContact N-O 3.48Å; V730-A750 PolarHBondContact O-N 2.65Å; V730-V752 HydrophobicContact CG2-CG1 4.25Å; V730-V752 HydrophobicContact CG2-CG2 3.88Å; V730-A783 HydrophobicContact CG1-CB 4.01Å; V730-L792 HydrophobicContact CG2-CD1 3.55Å; V730-V808 HydrophobicContact CG1-CG2 3.97Å; V730-Y823 HydrophobicContact CG2-CE1 3.82Å; V730-Y823 WeakPolarHBondContact CG2-OH 3.3Å
731	T	91.8	Very high	80.3	Confident	3 Å²	3	61.9 Å²	61.9	2%	0.018	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	143	178.8	65	0	0	0	0	111.8	W615 Q618 Q748 K749	W615-T731 HydrophobicContact CD2-CG2 3.74Å; W615-T731 HydrophobicContact CE3-CG2 4.36Å; W615-T731 HydrophobicContact CG-CG2 3.8Å; W615-T731 HydrophobicContact CZ2-CG2 4.43Å; Q618-T731 PolarHBondContact NE2-O 3.04Å; Q618-T731 PolarHBondContact OE1-OG1 3.07Å; T731-Q748 VanDerWaalsContact CA-O 3.29Å; T731-Q748 WeakPolarHBondContact CA-O 3.45Å; T731-K749 HydrophobicContact CG2-CB 3.83Å
732	G	90.4	Very high	79.8	Confident	3 Å²	3	64.9 Å²	64.9	3%	0.031	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.5	-174.4	179.2	0	0	0	0	0	114.6	Q748 D787	G732-Q748 PolarHBondContact N-O 3.4Å; G732-Q748 VanDerWaalsContact N-O 3.15Å; G732-Q748 PolarHBondContact O-N 3.17Å; G732-D787 VanDerWaalsContact C-OD1 3.24Å; G732-D787 WeakPolarHBondContact CA-OD1 3.39Å
733	W	88.1	Confident	79.3	Confident	4 Å²	4	66.4 Å²	66.4	2%	0.015	33%	0.327	C	S	.	.	S	Bend	trans	-114	19.7	-179.8	-64.7	-89.8	0	0	0	111.8	Q618 L627 M663 L664 Q666 L743 P744 L747 D787	Q618-W733 HydrophobicContact CG-CH2 3.8Å; Q618-W733 HydrophobicContact CG-CZ3 3.66Å; L627-W733 HydrophobicContact CD2-CB 3.8Å; M663-W733 HydrophobicContact CB-CH2 4.36Å; M663-W733 HydrophobicContact CB-CZ2 4.23Å; M663-W733 HydrophobicContact CE-CH2 4.06Å; M663-W733 HydrophobicContact CE-CZ2 3.88Å; M663-W733 HydrophobicContact CE-CZ3 4.46Å; M663-W733 HydrophobicContact CG-CZ2 4.34Å; M663-W733 WeakPolarHBondContact O-CZ2 3.48Å; L664-W733 PolarHBondContact O-NE1 3.15Å; Q666-W733 HydrophobicContact CG-CG 4.38Å; Q666-W733 VanDerWaalsContact NE2-CG 3.26Å; W733-L743 WeakPolarHBondContact O-CD2 3.08Å; W733-P744 WeakPolarHBondContact O-CD 3.16Å; W733-L747 HydrophobicContact CD2-CD1 3.92Å; W733-L747 HydrophobicContact CE3-CD1 4.02Å; W733-L747 HydrophobicContact CH2-CD1 3.87Å; W733-L747 HydrophobicContact CZ2-CB 3.86Å; W733-L747 HydrophobicContact CZ2-CD1 3.77Å; W733-L747 HydrophobicContact CZ2-CG 4.25Å; W733-L747 HydrophobicContact CZ3-CD1 3.99Å; W733-L747 VanDerWaalsContact NE1-N 3.18Å; W733-D787 PolarHBondContact N-OD1 3.5Å
734	G	80.3	Confident	79.1	Confident	3 Å²	3	64.2 Å²	64.2	3%	0.031	31%	0.314	C	S	.	.	S	Bend	trans	-66.2	168.4	173.2	0	0	0	0	0	112.8	P744 R785 D787	G734-P744 WeakPolarHBondContact O-CD 3.42Å; G734-P744 WeakPolarHBondContact O-CG 3.38Å; G734-R785 CarbonylContact C-O 3.49Å; G734-R785 WeakPolarHBondContact CA-O 2.91Å; G734-D787 VanDerWaalsContact CA-OD1 3.32Å; G734-D787 WeakPolarHBondContact CA-OD1 3.26Å; G734-D787 PolarHBondContact N-OD1 3.14Å
735	Y	72.9	Confident	79.4	Confident	70 Å²	70	62.4 Å²	62.4	28%	0.275	31%	0.31	S	S	.	.			trans	-58.7	146.7	177.5	-65.7	-77.9	0	0	0	111.5	D740 L743 C784 R785	Y735-D740 HydrophobicContact CD1-CB 3.74Å; Y735-D740 WeakPolarHBondContact CD1-O 3.38Å; Y735-D740 HydrophobicContact CG-CB 4.42Å; Y735-L743 HydrophobicContact CD1-CD2 4.05Å; Y735-L743 HydrophobicContact CD2-CD2 3.81Å; Y735-L743 HydrophobicContact CE1-CD2 3.92Å; Y735-L743 HydrophobicContact CE1-CG 4.08Å; Y735-L743 HydrophobicContact CE2-CD2 3.7Å; Y735-L743 HydrophobicContact CE2-CG 4.44Å; Y735-L743 HydrophobicContact CG-CD2 4.01Å; Y735-C784 WeakPolarHBondContact O-CB 3.44Å; Y735-R785 HydrophobicContact CD2-CB 3.84Å; Y735-R785 VanDerWaalsContact CD2-O 3.3Å; Y735-R785 WeakPolarHBondContact CD2-O 3.24Å; Y735-R785 HydrophobicContact CE2-CB 4.21Å; Y735-R785 PolarHBondContact N-O 2.9Å
736	R	65.6	Low	79.7	Confident	139 Å²	139	59.2 Å²	59.2	53%	0.525	29%	0.291	S	S	.	.	S	Bend	trans	-81.4	-22.5	178.9	-57	173.9	168.6	174.1	-4.5	111.8	N609 D740 Q748	N609-R736 PolarHBondContact OD1-NH2 2.93Å; R736-D740 WeakPolarHBondContact CA-OD2 3.03Å; R736-D740 VanDerWaalsContact CB-OD2 3.26Å; R736-D740 WeakPolarHBondContact CB-OD2 3.48Å; R736-D740 PolarHBondContact N-OD2 3.4Å; R736-Q748 VanDerWaalsContact NE-OE1 3.15Å; R736-Q748 VanDerWaalsContact NH2-NE2 3.19Å
737	S	63.4	Low	79.9	Confident	48 Å²	48	58.3 Å²	58.3	34%	0.336	29%	0.286	S	S	.	.	S	Bend	trans	-150.1	158.7	176.8	174.7	0	0	0	0	110.7	E739 D740	S737-E739 PolarHBondContact O-N 3.03Å; S737-E739 PolarHBondContact OG-N 3.28Å; S737-D740 PolarHBondContact N-OD2 3.24Å; S737-D740 WeakPolarHBondContact O-CB 3.44Å; S737-D740 PolarHBondContact O-N 3.17Å
738	E	68.7	Low	79.9	Confident	86 Å²	86	53.1 Å²	53.1	40%	0.402	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-26.1	172.8	-66.4	-172.6	179.3	0	0	113.4	G813 C814 R816	E738-G813 VanDerWaalsContact OE1-C 3.28Å; E738-G813 WeakPolarHBondContact OE1-CA 2.94Å; E738-C814 HydrophobicContact CG-CB 3.91Å; E738-C814 PolarHBondContact OE1-N 2.97Å; E738-R816 IonicContact OE1-CZ 2.77Å; E738-R816 IonicContact OE1-NE 2.74Å; E738-R816 PolarHBondContact OE1-NE 3Å; E738-R816 IonicContact OE1-NH2 3.44Å; E738-R816 PolarHBondContact OE1-NH2 2.94Å; E738-R816 IonicContact OE2-CZ 3.86Å; E738-R816 IonicContact OE2-NE 3.11Å; E738-R816 PolarHBondContact OE2-NE 3.44Å; E738-R816 IonicContact OE2-NH2 3.23Å; E738-R816 PolarHBondContact OE2-NH2 2.72Å
739	E	64.1	Low	79.8	Confident	170 Å²	170	54.8 Å²	54.8	79%	0.794	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-14.8	-177.2	-60.7	-177.9	179.8	0	0	113.2	S737	S737-E739 PolarHBondContact O-N 3.03Å; S737-E739 PolarHBondContact OG-N 3.28Å
740	D	69.3	Low	79.5	Confident	63 Å²	63	55.1 Å²	55.1	34%	0.337	28%	0.279	S	S	.	.			trans	-70.1	139.4	-177.3	-72.2	-24.7	0	0	0	111.5	Y735 R736 S737	Y735-D740 HydrophobicContact CD1-CB 3.74Å; Y735-D740 WeakPolarHBondContact CD1-O 3.38Å; Y735-D740 HydrophobicContact CG-CB 4.42Å; R736-D740 WeakPolarHBondContact CA-OD2 3.03Å; R736-D740 VanDerWaalsContact CB-OD2 3.26Å; R736-D740 WeakPolarHBondContact CB-OD2 3.48Å; R736-D740 PolarHBondContact N-OD2 3.4Å; S737-D740 PolarHBondContact N-OD2 3.24Å; S737-D740 WeakPolarHBondContact O-CB 3.44Å; S737-D740 PolarHBondContact O-N 3.17Å
741	K	68.3	Low	79.3	Confident	191 Å²	191	58.7 Å²	58.7	83%	0.83	30%	0.295	S	S	*	.			trans	-106.7	-4.4	176.9	-62.4	-176.4	-176.8	177	0	113.5
742	V	75	Confident	79.2	Confident	116 Å²	116	58.6 Å²	58.6	70%	0.703	29%	0.294	S	S	*	.	S	Bend	trans	-132.8	130.7	-175.4	-172.8	0	0	0	0	109.4
743	L	75.8	Confident	79.1	Confident	64 Å²	64	60.6 Å²	60.6	34%	0.335	31%	0.308	S	S	.	.			trans	-69.9	141.5	175.1	-65.7	165.2	0	0	0	110.2	L627 W733 Y735 S745	L627-L743 HydrophobicContact CD2-CD1 4.3Å; W733-L743 WeakPolarHBondContact O-CD2 3.08Å; Y735-L743 HydrophobicContact CD1-CD2 4.05Å; Y735-L743 HydrophobicContact CD2-CD2 3.81Å; Y735-L743 HydrophobicContact CE1-CD2 3.92Å; Y735-L743 HydrophobicContact CE1-CG 4.08Å; Y735-L743 HydrophobicContact CE2-CD2 3.7Å; Y735-L743 HydrophobicContact CE2-CG 4.44Å; Y735-L743 HydrophobicContact CG-CD2 4.01Å; L743-S745 PolarHBondContact O-N 2.98Å
744	P	79.4	Confident	79.3	Confident	12 Å²	12	61.4 Å²	61.4	8%	0.078	31%	0.312	C	S	.	.			trans	-61.7	135.1	175.6	26.4	-34.8	0	0	0	111.1	W733 G734 V746 Q748	W733-P744 WeakPolarHBondContact O-CD 3.16Å; G734-P744 WeakPolarHBondContact O-CD 3.42Å; G734-P744 WeakPolarHBondContact O-CG 3.38Å; P744-V746 VanDerWaalsContact C-N 3.34Å; P744-Q748 HydrophobicContact CB-CG 3.95Å; P744-Q748 HydrophobicContact CG-CG 3.83Å
745	S	83.7	Confident	79.8	Confident	75 Å²	75	63.1 Å²	63.1	52%	0.524	32%	0.32	S	S	.	.	S	Bend	trans	-74.2	-26.9	177.7	56	0	0	0	0	112.8	T665 Q666 L743	T665-S745 CarbonylContact C-O 3.46Å; T665-S745 VanDerWaalsContact CA-O 3.23Å; T665-S745 WeakPolarHBondContact CA-O 3.3Å; Q666-S745 PolarHBondContact N-O 3.25Å; L743-S745 PolarHBondContact O-N 2.98Å
746	V	88	Confident	80.5	Confident	33 Å²	33	62.5 Å²	62.5	20%	0.2	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-106.9	141.6	-179.6	-178.2	0	0	0	0	109.4	N609 L664 P744 Q748	N609-V746 HydrophobicContact CB-CG1 4.23Å; L664-V746 HydrophobicContact CD1-CG1 3.93Å; L664-V746 HydrophobicContact CG-CG1 4.2Å; P744-V746 VanDerWaalsContact C-N 3.34Å; V746-Q748 PolarHBondContact O-N 3.04Å; V746-Q748 PolarHBondContact O-NE2 2.78Å
747	L	89.3	Confident	81.6	Confident	5 Å²	5	56.9 Å²	56.9	3%	0.026	31%	0.305	C	S	.	.			trans	-53.3	131.1	175.6	-179.5	64.2	0	0	0	110.7	S610 W615 Q618 L664 W733	S610-L747 WeakPolarHBondContact CB-O 2.98Å; S610-L747 PolarHBondContact N-O 2.66Å; S610-L747 PolarHBondContact OG-O 3.28Å; W615-L747 HydrophobicContact CB-CD2 4.3Å; Q618-L747 HydrophobicContact CB-CD2 4.44Å; Q618-L747 HydrophobicContact CG-CD1 3.85Å; Q618-L747 HydrophobicContact CG-CD2 4.26Å; L664-L747 HydrophobicContact CD1-CB 3.99Å; L664-L747 PolarHBondContact O-N 3.08Å; W733-L747 HydrophobicContact CD2-CD1 3.92Å; W733-L747 HydrophobicContact CE3-CD1 4.02Å; W733-L747 HydrophobicContact CH2-CD1 3.87Å; W733-L747 HydrophobicContact CZ2-CB 3.86Å; W733-L747 HydrophobicContact CZ2-CD1 3.77Å; W733-L747 HydrophobicContact CZ2-CG 4.25Å; W733-L747 HydrophobicContact CZ3-CD1 3.99Å; W733-L747 VanDerWaalsContact NE1-N 3.18Å
748	Q	89.1	Confident	82.7	Confident	15 Å²	15	56 Å²	56	7%	0.07	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	154.1	176.2	-55.7	-59.9	-75.9	0	0	110.6	G607 V608 N609 T731 G732 R736 P744 V746	G607-Q748 PolarHBondContact O-OE1 3.13Å; V608-Q748 CarbonylContact O-C 3.58Å; V608-Q748 WeakPolarHBondContact O-CA 3.36Å; N609-Q748 PolarHBondContact OD1-NE2 3.11Å; T731-Q748 VanDerWaalsContact CA-O 3.29Å; T731-Q748 WeakPolarHBondContact CA-O 3.45Å; G732-Q748 PolarHBondContact N-O 3.4Å; G732-Q748 VanDerWaalsContact N-O 3.15Å; G732-Q748 PolarHBondContact O-N 3.17Å; R736-Q748 VanDerWaalsContact NE-OE1 3.15Å; R736-Q748 VanDerWaalsContact NH2-NE2 3.19Å; P744-Q748 HydrophobicContact CB-CG 3.95Å; P744-Q748 HydrophobicContact CG-CG 3.83Å; V746-Q748 PolarHBondContact O-N 3.04Å; V746-Q748 PolarHBondContact O-NE2 2.78Å
749	K	88.6	Confident	83.7	Confident	36 Å²	36	56.2 Å²	56.2	16%	0.157	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	140	167.5	67	-169.2	177.3	-166.5	0	110.3	V608 E614 W615 L729 V730 T731	V608-K749 HydrophobicContact CB-CG 4.47Å; V608-K749 PolarHBondContact N-O 3.05Å; V608-K749 PolarHBondContact O-N 2.79Å; E614-K749 IonicContact OE1-NZ 2.77Å; E614-K749 PolarHBondContact OE1-NZ 3.33Å; E614-K749 IonicContact OE2-NZ 2.68Å; E614-K749 PolarHBondContact OE2-NZ 2.98Å; W615-K749 HydrophobicContact CZ2-CD 4.32Å; L729-K749 HydrophobicContact CD2-CB 4.14Å; L729-K749 HydrophobicContact CD2-CD 4.41Å; L729-K749 HydrophobicContact CD2-CG 4.36Å; V730-K749 WeakPolarHBondContact O-CA 3.26Å; T731-K749 HydrophobicContact CG2-CB 3.83Å
750	A	86.9	Confident	84.9	Confident	15 Å²	15	48.1 Å²	48.1	12%	0.124	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	131.3	175.5	0	0	0	0	0	109.7	L729 V730	L729-A750 CarbonylContact C-O 3.54Å; L729-A750 VanDerWaalsContact CA-O 3.28Å; L729-A750 WeakPolarHBondContact CA-O 3.42Å; V730-A750 PolarHBondContact N-O 3.48Å; V730-A750 PolarHBondContact O-N 2.65Å
751	E	87.6	Confident	85.8	Confident	81 Å²	81	47.2 Å²	47.2	38%	0.379	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	132.4	173.8	177.9	174.9	-147.5	0	0	110.1	R727 C728 L729 R781	R727-E751 WeakPolarHBondContact CG-OE1 3.04Å; R727-E751 IonicContact NE-OE1 2.74Å; C728-E751 WeakPolarHBondContact O-CA 3.17Å; L729-E751 HydrophobicContact CG-CB 4.23Å; E751-R781 WeakPolarHBondContact O-CD 3.18Å; E751-R781 IonicContact OE2-NH1 3.6Å
752	V	88.4	Confident	86.7	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.012	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	150.9	-175.7	-63.5	0	0	0	0	109.8	C728 V730 A774 L792	C728-V752 HydrophobicContact CB-CG2 4.32Å; C728-V752 PolarHBondContact O-N 3.22Å; V730-V752 HydrophobicContact CG2-CG1 4.25Å; V730-V752 HydrophobicContact CG2-CG2 3.88Å; V752-A774 HydrophobicContact CB-CB 4.35Å; V752-A774 HydrophobicContact CG2-CB 3.93Å; V752-L792 HydrophobicContact CG2-CD1 3.47Å; V752-L792 VanDerWaalsContact CG2-CD1 3.47Å
753	S	89.8	Confident	87.1	Confident	44 Å²	44	41.5 Å²	41.5	31%	0.308	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-99.6	137.1	175.4	-60.7	0	0	0	0	110.2	A774 G775	S753-A774 CarbonylContact O-C 3.52Å; S753-A774 VanDerWaalsContact O-CA 3.26Å; S753-A774 WeakPolarHBondContact O-CA 3.42Å; S753-G775 PolarHBondContact O-N 2.74Å
754	I	91.1	Very high	87.4	Confident	21 Å²	21	39.3 Å²	39.3	11%	0.108	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-69.1	136	172.1	-60.6	-62.6	0	0	0	108.8	V722 L772 A774 L792	V722-I754 HydrophobicContact CG1-CG1 3.82Å; I754-L772 HydrophobicContact CD1-CD1 4.09Å; I754-A774 HydrophobicContact CD1-CB 3.99Å; I754-L792 HydrophobicContact CD1-CD2 3.88Å
755	M	89.9	Confident	87.1	Confident	40 Å²	40	44.2 Å²	44.2	20%	0.197	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-103.7	149.1	175.3	-62.1	-175.9	71.7	0	0	110.6	E759 C773 P820	M755-E759 HydrophobicContact CE-CB 4.04Å; M755-C773 HydrophobicContact CB-CB 4.09Å; M755-C773 PolarHBondContact N-O 3.34Å; M755-C773 HydrophobicContact SD-CB 4.44Å; M755-P820 HydrophobicContact SD-CB 3.59Å; M755-P820 VanDerWaalsContact SD-CB 3.59Å; M755-P820 HydrophobicContact SD-CG 3.58Å; M755-P820 VanDerWaalsContact SD-CG 3.58Å
756	S	88.8	Confident	86.8	Confident	56 Å²	56	44 Å²	44	39%	0.392	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-64	150.6	175.4	68.5	0	0	0	0	111.1	T758 E759 C760	S756-T758 PolarHBondContact O-N 2.83Å; S756-E759 PolarHBondContact N-OE2 3.13Å; S756-E759 PolarHBondContact O-N 2.86Å; S756-E759 VanDerWaalsContact O-N 3.1Å; S756-E759 WeakPolarHBondContact OG-CB 3.41Å; S756-E759 VanDerWaalsContact OG-CD 3.22Å; S756-E759 VanDerWaalsContact OG-CG 3.24Å; S756-E759 WeakPolarHBondContact OG-CG 3.46Å; S756-E759 PolarHBondContact OG-N 3.4Å; S756-E759 PolarHBondContact OG-OE2 3.01Å; S756-C760 WeakPolarHBondContact O-CB 3.34Å; S756-C760 PolarHBondContact O-N 3.19Å
757	Q	87.8	Confident	86.8	Confident	21 Å²	21	43.1 Å²	43.1	10%	0.098	24%	0.238	C	C	.	.	H	α-helix	trans	-57.9	-35.3	177.8	-167.7	72.2	-1.8	0	0	111.9	E503 V507 C760 K761 T768 M771	E503-Q757 VanDerWaalsContact OE2-CG 3.26Å; E503-Q757 WeakPolarHBondContact OE2-CG 3.32Å; V507-Q757 HydrophobicContact CG1-CB 4.27Å; V507-Q757 HydrophobicContact CG1-CG 4.04Å; Q757-C760 PolarHBondContact O-N 2.83Å; Q757-K761 HydrophobicContact CG-CD 4.48Å; Q757-K761 WeakPolarHBondContact O-CB 3.29Å; Q757-K761 WeakPolarHBondContact O-CG 3.15Å; Q757-K761 PolarHBondContact O-N 2.83Å; Q757-T768 PolarHBondContact NE2-O 2.99Å; Q757-T768 VanDerWaalsContact NE2-O 3.07Å; Q757-M771 PolarHBondContact OE1-O 3.21Å
758	T	88.1	Confident	86.8	Confident	29 Å²	29	43.7 Å²	43.7	18%	0.178	24%	0.241	C	C	.	.	H	α-helix	trans	-63.8	-43	177.6	-64	0	0	0	0	111.7	F508 S756 K762	F508-T758 HydrophobicContact CD1-CG2 3.52Å; F508-T758 HydrophobicContact CE1-CG2 3.7Å; F508-T758 HydrophobicContact CG-CG2 4.19Å; F508-T758 HydrophobicContact CZ-CG2 4.46Å; F508-T758 PolarHBondContact N-OG1 3.37Å; F508-T758 VanDerWaalsContact N-OG1 3.15Å; S756-T758 PolarHBondContact O-N 2.83Å; T758-K762 WeakPolarHBondContact O-CG 3.33Å; T758-K762 PolarHBondContact O-N 3.46Å; T758-K762 VanDerWaalsContact O-N 3.13Å
759	E	88.3	Confident	86.8	Confident	92 Å²	92	43 Å²	43	43%	0.43	24%	0.239	S	C	.	.	H	α-helix	trans	-71.6	-36.7	176.9	-69.9	163.9	151.7	0	0	112.3	M755 S756 K762 S763	M755-E759 HydrophobicContact CE-CB 4.04Å; S756-E759 PolarHBondContact N-OE2 3.13Å; S756-E759 PolarHBondContact O-N 2.86Å; S756-E759 VanDerWaalsContact O-N 3.1Å; S756-E759 WeakPolarHBondContact OG-CB 3.41Å; S756-E759 VanDerWaalsContact OG-CD 3.22Å; S756-E759 VanDerWaalsContact OG-CG 3.24Å; S756-E759 WeakPolarHBondContact OG-CG 3.46Å; S756-E759 PolarHBondContact OG-N 3.4Å; S756-E759 PolarHBondContact OG-OE2 3.01Å; E759-K762 WeakPolarHBondContact O-CB 3.49Å; E759-K762 PolarHBondContact O-N 3.36Å; E759-S763 PolarHBondContact O-N 2.81Å; E759-S763 PolarHBondContact O-OG 3.49Å
760	C	89.2	Confident	87	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.4	-48.4	173.9	-171.1	0	0	0	0	111.1	S756 Q757 K762 S763 Y764 C773	S756-C760 WeakPolarHBondContact O-CB 3.34Å; S756-C760 PolarHBondContact O-N 3.19Å; Q757-C760 PolarHBondContact O-N 2.83Å; C760-K762 VanDerWaalsContact C-N 3.28Å; C760-K762 PolarHBondContact O-N 3.34Å; C760-S763 PolarHBondContact O-N 3.5Å; C760-S763 VanDerWaalsContact O-N 3.11Å; C760-Y764 PolarHBondContact O-N 2.9Å; C760-C773 VanDerWaalsContact CA-SG 3.57Å; C760-C773 HydrophobicContact CB-CB 3.57Å; C760-C773 WeakPolarHBondContact CB-SG 3.31Å; C760-C773 WeakPolarHBondContact SG-CB 3.24Å; C760-C773 CovalentContact SG-SG 2.02Å; C760-C773 PolarHBondContact SG-SG 3.44Å
761	K	88.3	Confident	87.4	Confident	43 Å²	43	41.7 Å²	41.7	19%	0.187	23%	0.23	C	C	.	.	H	α-helix	trans	-64.7	-26.1	175.4	-75.3	-177.2	-178.9	178.6	0	113.4	D502 E503 V507 Q757 Y764 I767	D502-K761 PolarHBondContact O-NZ 2.81Å; D502-K761 VanDerWaalsContact O-NZ 3.08Å; E503-K761 PolarHBondContact O-NZ 3.08Å; E503-K761 VanDerWaalsContact O-NZ 3.15Å; V507-K761 HydrophobicContact CG1-CD 4.06Å; V507-K761 HydrophobicContact CG2-CD 4.45Å; Q757-K761 HydrophobicContact CG-CD 4.48Å; Q757-K761 WeakPolarHBondContact O-CB 3.29Å; Q757-K761 WeakPolarHBondContact O-CG 3.15Å; Q757-K761 PolarHBondContact O-N 2.83Å; K761-Y764 CarbonylContact C-O 3.28Å; K761-Y764 WeakPolarHBondContact CA-O 3.5Å; K761-I767 HydrophobicContact CG-CB 4.17Å; K761-I767 HydrophobicContact CG-CG2 4.46Å
762	K	87.1	Confident	87.7	Confident	147 Å²	147	38.3 Å²	38.3	64%	0.639	21%	0.214	S	C	*	.	H	α-helix	trans	-73.1	-35.3	172.2	-75.4	172.6	-176.1	175.6	0	112.1	F508 T758 E759 C760	F508-K762 HydrophobicContact CE1-CG 4.1Å; T758-K762 WeakPolarHBondContact O-CG 3.33Å; T758-K762 PolarHBondContact O-N 3.46Å; T758-K762 VanDerWaalsContact O-N 3.13Å; E759-K762 WeakPolarHBondContact O-CB 3.49Å; E759-K762 PolarHBondContact O-N 3.36Å; C760-K762 VanDerWaalsContact C-N 3.28Å; C760-K762 PolarHBondContact O-N 3.34Å
763	S	84.9	Confident	87.9	Confident	41 Å²	41	38.2 Å²	38.2	29%	0.287	21%	0.213	S	C	.	.	H	α-helix	trans	-80.2	-33.5	-177.9	-51.3	0	0	0	0	111.9	E759 C760	E759-S763 PolarHBondContact O-N 2.81Å; E759-S763 PolarHBondContact O-OG 3.49Å; C760-S763 PolarHBondContact O-N 3.5Å; C760-S763 VanDerWaalsContact O-N 3.11Å
764	Y	81.9	Confident	87.9	Confident	17 Å²	17	36.1 Å²	36.1	7%	0.067	20%	0.199	C	C	.	.	S	Bend	trans	-134.9	140.5	-178.9	-64.3	-62.5	0	0	0	112.2	C760 K761 I767 W810 S812 L819 P820 V822	C760-Y764 PolarHBondContact O-N 2.9Å; K761-Y764 CarbonylContact C-O 3.28Å; K761-Y764 WeakPolarHBondContact CA-O 3.5Å; Y764-I767 HydrophobicContact CD2-CD1 4.23Å; Y764-I767 HydrophobicContact CG-CD1 4.33Å; Y764-W810 HydrophobicContact CD1-CH2 4.17Å; Y764-W810 HydrophobicContact CD1-CZ3 4.15Å; Y764-W810 HydrophobicContact CE1-CZ3 4.28Å; Y764-W810 HydrophobicContact CG-CH2 4.12Å; Y764-W810 HydrophobicContact CG-CZ3 4.48Å; Y764-S812 WeakPolarHBondContact CE1-OG 3.4Å; Y764-S812 PolarHBondContact OH-N 3.18Å; Y764-L819 HydrophobicContact CE1-CD2 3.91Å; Y764-P820 HydrophobicContact CE2-CG 3.95Å; Y764-P820 WeakPolarHBondContact CE2-O 2.97Å; Y764-P820 PolarHBondContact OH-O 2.85Å; Y764-V822 HydrophobicContact CD2-CG2 3.82Å; Y764-V822 HydrophobicContact CE2-CG2 3.69Å
765	S	72.8	Confident	87.7	Confident	116 Å²	116	35.2 Å²	35.2	81%	0.811	20%	0.195	S	C	*	.	S	Bend	trans	-134	118.9	168.3	-176	0	0	0	0	108.4
766	P	78.1	Confident	87.2	Confident	70 Å²	70	35.6 Å²	35.6	46%	0.455	20%	0.197	S	C	.	.	S	Bend	cis	-102.1	131.1	11.1	35	-28.1	0	0	0	115.1
767	I	86.8	Confident	86.5	Confident	15 Å²	15	36.9 Å²	36.9	8%	0.077	21%	0.205	C	C	.	.			trans	-111.5	130.4	170.4	-66	-69.6	0	0	0	109.9	K761 Y764 M771 W810 V822	K761-I767 HydrophobicContact CG-CB 4.17Å; K761-I767 HydrophobicContact CG-CG2 4.46Å; Y764-I767 HydrophobicContact CD2-CD1 4.23Å; Y764-I767 HydrophobicContact CG-CD1 4.33Å; I767-M771 HydrophobicContact CD1-SD 4.24Å; I767-M771 HydrophobicContact CG2-CB 4.22Å; I767-W810 HydrophobicContact CD1-CH2 4.04Å; I767-W810 HydrophobicContact CD1-CZ2 3.67Å; I767-V822 HydrophobicContact CD1-CG1 3.99Å; I767-V822 HydrophobicContact CD1-CG2 3.96Å
768	T	89.9	Confident	85.8	Confident	16 Å²	16	38.7 Å²	38.7	10%	0.098	22%	0.22	C	C	.	.			trans	-96.2	158.2	175.4	81.4	0	0	0	0	111.2	D690 Q757 R770 M771	D690-T768 HydrophobicContact CB-CG2 4.25Å; D690-T768 PolarHBondContact OD1-OG1 3.28Å; Q757-T768 PolarHBondContact NE2-O 2.99Å; Q757-T768 VanDerWaalsContact NE2-O 3.07Å; T768-R770 PolarHBondContact O-N 2.88Å; T768-R770 VanDerWaalsContact O-N 3.14Å; T768-R770 PolarHBondContact OG1-N 3.4Å; T768-M771 HydrophobicContact CG2-CE 4.26Å; T768-M771 WeakPolarHBondContact O-CB 3.34Å; T768-M771 PolarHBondContact O-N 2.99Å
769	P	89.4	Confident	84.8	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.013	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-14.6	170	-33.2	33	0	0	0	117.4	D502 E503 M771 R825	D502-P769 WeakPolarHBondContact O-CD 3.17Å; D502-P769 WeakPolarHBondContact O-CG 3.26Å; E503-P769 HydrophobicContact CB-CB 4.31Å; E503-P769 HydrophobicContact CB-CG 3.62Å; E503-P769 HydrophobicContact CG-CB 3.56Å; E503-P769 HydrophobicContact CG-CG 3.4Å; E503-P769 VanDerWaalsContact CG-CG 3.4Å; E503-P769 WeakPolarHBondContact OE1-CB 3.34Å; E503-P769 WeakPolarHBondContact OE2-CB 3.29Å; P769-M771 PolarHBondContact O-N 2.04Å; P769-R825 WeakPolarHBondContact O-CD 3.38Å; P769-R825 PolarHBondContact O-NE 3.19Å
770	R	92.6	Very high	83.8	Confident	20 Å²	20	38.3 Å²	38.3	8%	0.075	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	1.6	173.2	-69	110.1	-70.3	-103	25.7	111.6	D498 Q501 T768 R825 K828 F829	D498-R770 IonicContact OD2-NH1 3.78Å; Q501-R770 PolarHBondContact O-NH1 2.02Å; Q501-R770 PolarHBondContact O-NH2 3.06Å; T768-R770 PolarHBondContact O-N 2.88Å; T768-R770 VanDerWaalsContact O-N 3.14Å; T768-R770 PolarHBondContact OG1-N 3.4Å; R770-R825 WeakPolarHBondContact O-CB 3.27Å; R770-R825 PolarHBondContact O-N 2.65Å; R770-K828 HydrophobicContact CG-CB 4.07Å; R770-K828 HydrophobicContact CG-CG 4.38Å; R770-F829 HydrophobicContact CB-CE2 3.88Å; R770-F829 HydrophobicContact CB-CZ 3.74Å; R770-F829 HydrophobicContact CG-CE2 4.21Å; R770-F829 HydrophobicContact CG-CZ 3.81Å
771	M	94.2	Very high	82.9	Confident	3 Å²	3	41 Å²	41	2%	0.015	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	159.3	172.1	-56.4	169.1	-172.2	0	0	109.7	T688 F689 D690 Q757 I767 T768 P769 V822 Y823 R825	T688-M771 VanDerWaalsContact O-CE 3.25Å; T688-M771 WeakPolarHBondContact O-CE 3.06Å; F689-M771 VanDerWaalsContact C-CE 3.42Å; F689-M771 HydrophobicContact CB-CE 4.49Å; F689-M771 WeakPolarHBondContact O-CE 3.16Å; D690-M771 HydrophobicContact CB-CE 4.1Å; Q757-M771 PolarHBondContact OE1-O 3.21Å; I767-M771 HydrophobicContact CD1-SD 4.24Å; I767-M771 HydrophobicContact CG2-CB 4.22Å; T768-M771 HydrophobicContact CG2-CE 4.26Å; T768-M771 WeakPolarHBondContact O-CB 3.34Å; T768-M771 PolarHBondContact O-N 2.99Å; P769-M771 PolarHBondContact O-N 2.04Å; M771-V822 HydrophobicContact CB-CG1 3.88Å; M771-V822 HydrophobicContact CG-CG1 4.2Å; M771-V822 HydrophobicContact SD-CG1 4.08Å; M771-Y823 CarbonylContact C-O 3.58Å; M771-Y823 VanDerWaalsContact CA-O 3.22Å; M771-Y823 WeakPolarHBondContact CA-O 3.35Å; M771-R825 PolarHBondContact O-NE 3.45Å; M771-R825 PolarHBondContact O-NH2 3.17Å
772	L	93.7	Very high	82	Confident	9 Å²	9	40.2 Å²	40.2	5%	0.047	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	155.2	167.8	66.7	86.4	0	0	0	109.2	I754 A774 L792 I805 Y823 R825	I754-L772 HydrophobicContact CD1-CD1 4.09Å; L772-A774 HydrophobicContact CD1-CB 4.37Å; L772-L792 HydrophobicContact CD1-CD2 3.66Å; L772-I805 HydrophobicContact CD2-CG2 3.94Å; L772-Y823 HydrophobicContact CD1-CD2 4.05Å; L772-Y823 HydrophobicContact CD1-CG 4.25Å; L772-Y823 PolarHBondContact N-O 3.08Å; L772-Y823 PolarHBondContact O-N 2.79Å; L772-R825 HydrophobicContact CD2-CB 4Å; L772-R825 HydrophobicContact CD2-CG 4.02Å
773	C	92.4	Very high	81.3	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	140	173	-73.7	0	0	0	0	110.3	M755 C760 P820 G821	M755-C773 HydrophobicContact CB-CB 4.09Å; M755-C773 PolarHBondContact N-O 3.34Å; M755-C773 HydrophobicContact SD-CB 4.44Å; C760-C773 VanDerWaalsContact CA-SG 3.57Å; C760-C773 HydrophobicContact CB-CB 3.57Å; C760-C773 WeakPolarHBondContact CB-SG 3.31Å; C760-C773 WeakPolarHBondContact SG-CB 3.24Å; C760-C773 CovalentContact SG-SG 2.02Å; C760-C773 PolarHBondContact SG-SG 3.44Å; C773-P820 HydrophobicContact CB-CB 4.06Å; C773-P820 HydrophobicContact CB-CG 3.71Å; C773-G821 WeakPolarHBondContact CA-O 3.49Å
774	A	90.8	Very high	80.8	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	139.4	169.2	0	0	0	0	0	110.3	V752 S753 I754 L772 L792 G821 Y823	V752-A774 HydrophobicContact CB-CB 4.35Å; V752-A774 HydrophobicContact CG2-CB 3.93Å; S753-A774 CarbonylContact O-C 3.52Å; S753-A774 VanDerWaalsContact O-CA 3.26Å; S753-A774 WeakPolarHBondContact O-CA 3.42Å; I754-A774 HydrophobicContact CD1-CB 3.99Å; L772-A774 HydrophobicContact CD1-CB 4.37Å; A774-L792 HydrophobicContact CB-CD1 4.41Å; A774-L792 HydrophobicContact CB-CD2 4.06Å; A774-G821 PolarHBondContact N-O 2.04Å; A774-G821 VanDerWaalsContact N-O 3.1Å; A774-G821 PolarHBondContact O-N 2.94Å; A774-Y823 HydrophobicContact CB-CD2 4.04Å; A774-Y823 HydrophobicContact CB-CE2 3.63Å
775	G	86.4	Confident	79.9	Confident	3 Å²	3	40.9 Å²	40.9	3%	0.031	22%	0.221	C	C	.	.			trans	166.3	173.5	-178.8	0	0	0	0	0	111.9	S753	S753-G775 PolarHBondContact O-N 2.74Å
776	L	79.6	Confident	79.5	Confident	47 Å²	47	36.2 Å²	36.2	25%	0.246	19%	0.192	C	C	.	.			trans	-97.8	139.5	171.7	-67.6	176.3	0	0	0	109.9	S778 G779 R781	L776-S778 PolarHBondContact O-N 2.97Å; L776-S778 VanDerWaalsContact O-N 3.09Å; L776-G779 PolarHBondContact O-N 3.15Å; L776-R781 HydrophobicContact CD1-CB 4Å; L776-R781 HydrophobicContact CD1-CG 3.93Å
777	P	74.4	Confident	79.6	Confident	84 Å²	84	33.6 Å²	33.6	55%	0.545	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-30.3	176.5	-26.9	34.4	0	0	0	113.7	G779 N818	P777-G779 PolarHBondContact O-N 3.41Å; P777-N818 PolarHBondContact O-N 2.86Å
778	S	73.1	Confident	79.7	Confident	59 Å²	59	34.1 Å²	34.1	41%	0.413	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-18.6	176.4	60	0	0	0	0	114	L776 E780	L776-S778 PolarHBondContact O-N 2.97Å; L776-S778 VanDerWaalsContact O-N 3.09Å; S778-E780 PolarHBondContact O-N 2.88Å; S778-E780 PolarHBondContact OG-N 2.97Å
779	G	66.8	Low	79.8	Confident	6 Å²	6	33.3 Å²	33.3	6%	0.062	17%	0.174	C	C	.	.	S	Bend	trans	74.6	0.9	-172.5	0	0	0	0	0	113.9	L776 P777 R781 G815	L776-G779 PolarHBondContact O-N 3.15Å; P777-G779 PolarHBondContact O-N 3.41Å; G779-R781 PolarHBondContact O-N 2.93Å; G779-R781 VanDerWaalsContact O-N 3.16Å; G779-G815 CarbonylContact C-O 3.51Å; G779-G815 CarbonylContact O-C 3.57Å; G779-G815 WeakPolarHBondContact O-CA 3.43Å
780	E	67.5	Low	80	Confident	107 Å²	107	33.2 Å²	33.2	50%	0.5	17%	0.173	S	C	.	.	S	Bend	trans	-71.7	-14.7	-172.3	-72.8	-178.9	170.6	0	0	115.1	V605 S778	V605-E780 HydrophobicContact CG1-CB 3.81Å; V605-E780 VanDerWaalsContact CG1-CD 3.48Å; V605-E780 HydrophobicContact CG1-CG 3.84Å; V605-E780 WeakPolarHBondContact CG1-OE2 3.23Å; S778-E780 PolarHBondContact O-N 2.88Å; S778-E780 PolarHBondContact OG-N 2.97Å
781	R	69.9	Low	80.2	Confident	57 Å²	57	32.3 Å²	32.3	22%	0.215	17%	0.17	C	C	.	.	S	Bend	trans	-142.6	123	-177.3	-59.2	-176.3	-173.2	172.4	-2.2	110.5	I604 E751 L776 G779	I604-R781 PolarHBondContact O-NH2 2.61Å; E751-R781 WeakPolarHBondContact O-CD 3.18Å; E751-R781 IonicContact OE2-NH1 3.6Å; L776-R781 HydrophobicContact CD1-CB 4Å; L776-R781 HydrophobicContact CD1-CG 3.93Å; G779-R781 PolarHBondContact O-N 2.93Å; G779-R781 VanDerWaalsContact O-N 3.16Å
782	D	69.9	Low	80.2	Confident	26 Å²	26	32.1 Å²	32.1	14%	0.139	17%	0.169	C	C	.	.			trans	-158.3	162.8	179.6	-160.3	6.1	0	0	0	110.7	G815 G821	D782-G815 VanDerWaalsContact CB-N 3.29Å; D782-G815 PolarHBondContact OD2-N 3.17Å; D782-G821 VanDerWaalsContact OD1-CA 3.32Å; D782-G821 WeakPolarHBondContact OD1-CA 3.36Å; D782-G821 PolarHBondContact OD1-N 2.92Å; D782-G821 VanDerWaalsContact OD1-N 3.16Å
783	A	73.1	Confident	80.3	Confident	11 Å²	11	31.8 Å²	31.8	9%	0.091	17%	0.167	C	C	.	.			trans	-71	145.8	167.5	0	0	0	0	0	109.7	V730 D787 V808 Y823	V730-A783 HydrophobicContact CG1-CB 4.01Å; A783-D787 HydrophobicContact CB-CB 4.42Å; A783-V808 HydrophobicContact CB-CG1 3.76Å; A783-V808 HydrophobicContact CB-CG2 4.07Å; A783-Y823 HydrophobicContact CB-CE1 4.41Å
784	C	74	Confident	80.3	Confident	11 Å²	11	31.8 Å²	31.8	7%	0.074	17%	0.167	C	C	.	.			trans	-129.9	-179.6	178.8	-159.1	0	0	0	0	113.7	Y735 G786 D787 C814	Y735-C784 WeakPolarHBondContact O-CB 3.44Å; C784-G786 PolarHBondContact O-N 3.2Å; C784-D787 PolarHBondContact N-OD2 3.29Å; C784-D787 WeakPolarHBondContact O-CB 3.29Å; C784-D787 PolarHBondContact O-N 3.12Å; C784-C814 WeakPolarHBondContact CA-SG 3.37Å; C784-C814 HydrophobicContact CB-CB 3.57Å; C784-C814 WeakPolarHBondContact CB-SG 3.4Å; C784-C814 WeakPolarHBondContact SG-CB 3.43Å; C784-C814 CovalentContact SG-SG 2.03Å; C784-C814 PolarHBondContact SG-SG 2.82Å
785	R	63.6	Low	80.3	Confident	197 Å²	197	33.7 Å²	33.7	74%	0.743	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	126.8	175.6	-73.1	-175.2	-178.8	-164	2.1	109.8	G734 Y735	G734-R785 CarbonylContact C-O 3.49Å; G734-R785 WeakPolarHBondContact CA-O 2.91Å; Y735-R785 HydrophobicContact CD2-CB 3.84Å; Y735-R785 VanDerWaalsContact CD2-O 3.3Å; Y735-R785 WeakPolarHBondContact CD2-O 3.24Å; Y735-R785 HydrophobicContact CE2-CB 4.21Å; Y735-R785 PolarHBondContact N-O 2.9Å
786	G	64.2	Low	80.1	Confident	18 Å²	18	34.4 Å²	34.4	19%	0.186	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.9	-15.6	-174.9	0	0	0	0	0	114	C784	C784-G786 PolarHBondContact O-N 3.2Å
787	D	80.4	Confident	79.7	Confident	14 Å²	14	37 Å²	37	8%	0.075	20%	0.204	C	C	.	.			trans	-91.8	-8.1	171.3	-58.1	-42.7	0	0	0	112.8	G732 W733 G734 A783 C784 G789 G790 V808	G732-D787 VanDerWaalsContact C-OD1 3.24Å; G732-D787 WeakPolarHBondContact CA-OD1 3.39Å; W733-D787 PolarHBondContact N-OD1 3.5Å; G734-D787 VanDerWaalsContact CA-OD1 3.32Å; G734-D787 WeakPolarHBondContact CA-OD1 3.26Å; G734-D787 PolarHBondContact N-OD1 3.14Å; A783-D787 HydrophobicContact CB-CB 4.42Å; C784-D787 PolarHBondContact N-OD2 3.29Å; C784-D787 WeakPolarHBondContact O-CB 3.29Å; C784-D787 PolarHBondContact O-N 3.12Å; D787-G789 PolarHBondContact O-N 3.36Å; D787-G790 WeakPolarHBondContact O-CA 3.35Å; D787-G790 PolarHBondContact O-N 2.75Å; D787-V808 HydrophobicContact CB-CG1 4.34Å; D787-V808 HydrophobicContact CB-CG2 4.47Å; D787-V808 VanDerWaalsContact O-CB 3.3Å; D787-V808 WeakPolarHBondContact O-CB 3.38Å
788	S	87.8	Confident	79.4	Confident	26 Å²	26	36.7 Å²	36.7	18%	0.182	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.6	126.9	177.4	-70.9	0	0	0	0	112.2	C629 G630 H644 G790	C629-S788 CarbonylContact C-O 3.5Å; C629-S788 VanDerWaalsContact CA-O 3.31Å; C629-S788 WeakPolarHBondContact CA-O 3.03Å; C629-S788 WeakPolarHBondContact CB-O 3.5Å; G630-S788 PolarHBondContact N-O 2.77Å; H644-S788 VanDerWaalsContact NE2-CB 3.35Å; H644-S788 WeakPolarHBondContact NE2-CB 3.23Å; H644-S788 PolarHBondContact NE2-OG 2.93Å; S788-G790 VanDerWaalsContact C-N 3.25Å; S788-G790 PolarHBondContact O-N 3.19Å
789	G	92.2	Very high	78.9	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	-7.1	-175.3	0	0	0	0	0	115.2	G630 A631 S641 D787 V808	G630-G789 VanDerWaalsContact C-C 3.48Å; G630-G789 CarbonylContact C-O 3.44Å; G630-G789 CarbonylContact O-C 3.37Å; G630-G789 WeakPolarHBondContact O-CA 3.21Å; A631-G789 WeakPolarHBondContact CA-O 3.49Å; S641-G789 WeakPolarHBondContact OG-CA 3.29Å; D787-G789 PolarHBondContact O-N 3.36Å; G789-V808 PolarHBondContact N-O 2.83Å
790	G	93.4	Very high	79.3	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.21	C	C	.	.			trans	-71.9	166.3	174.3	0	0	0	0	0	113.4	D787 S788 I807 V808	D787-G790 WeakPolarHBondContact O-CA 3.35Å; D787-G790 PolarHBondContact O-N 2.75Å; S788-G790 VanDerWaalsContact C-N 3.25Å; S788-G790 PolarHBondContact O-N 3.19Å; G790-I807 WeakPolarHBondContact O-CA 3.21Å; G790-V808 WeakPolarHBondContact O-CG2 3.3Å; G790-V808 PolarHBondContact O-N 3.05Å
791	P	96	Very high	80.2	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	138.9	-177.6	28.4	-30.8	0	0	0	113.2	S632 L804	S632-P791 VanDerWaalsContact OG-CB 3.31Å; S632-P791 WeakPolarHBondContact OG-CB 3.14Å; P791-L804 HydrophobicContact CB-CD1 3.47Å; P791-L804 VanDerWaalsContact CB-CD1 3.47Å
792	L	95.6	Very high	81.3	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	104.5	149	174.7	70	0	0	0	107.5	C728 V730 V752 I754 L772 A774 I805 G806 Y823	C728-L792 HydrophobicContact CB-CD1 4.19Å; V730-L792 HydrophobicContact CG2-CD1 3.55Å; V752-L792 HydrophobicContact CG2-CD1 3.47Å; V752-L792 VanDerWaalsContact CG2-CD1 3.47Å; I754-L792 HydrophobicContact CD1-CD2 3.88Å; L772-L792 HydrophobicContact CD1-CD2 3.66Å; A774-L792 HydrophobicContact CB-CD1 4.41Å; A774-L792 HydrophobicContact CB-CD2 4.06Å; L792-I805 PolarHBondContact O-N 3.42Å; L792-G806 PolarHBondContact N-O 2.99Å; L792-G806 PolarHBondContact O-N 3.47Å; L792-Y823 HydrophobicContact CB-CD1 3.7Å; L792-Y823 HydrophobicContact CB-CE1 3.93Å; L792-Y823 HydrophobicContact CB-CG 4.44Å; L792-Y823 HydrophobicContact CD1-CE1 4.4Å; L792-Y823 HydrophobicContact CD2-CD1 4.01Å; L792-Y823 HydrophobicContact CD2-CD2 4.23Å; L792-Y823 HydrophobicContact CD2-CE1 4.35Å; L792-Y823 HydrophobicContact CD2-CG 3.96Å; L792-Y823 HydrophobicContact CG-CD1 4.38Å; L792-Y823 HydrophobicContact CG-CE1 4.47Å
793	S	95	Very high	82.5	Confident	1 Å²	1	30 Å²	30	1%	0.007	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	132.6	-178.6	-58.5	0	0	0	0	110.2	W617 C728 L729 W802 F803	W617-S793 PolarHBondContact NE1-OG 3.11Å; W617-S793 VanDerWaalsContact NE1-OG 3.1Å; C728-S793 CarbonylContact C-O 3.57Å; C728-S793 WeakPolarHBondContact CA-O 3.31Å; L729-S793 PolarHBondContact N-O 3.32Å; L729-S793 PolarHBondContact O-N 2.94Å; S793-W802 WeakPolarHBondContact O-CZ3 3.1Å; S793-F803 CarbonylContact C-O 3.59Å; S793-F803 VanDerWaalsContact CA-O 3.29Å; S793-F803 WeakPolarHBondContact CA-O 3.3Å
794	C	93.4	Very high	83.6	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.007	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	141.1	174.3	-57.8	0	0	0	0	110.9	V722 R727 C728 W802 F803 I805	V722-C794 HydrophobicContact CG1-CB 4.28Å; R727-C794 WeakPolarHBondContact O-CA 3.12Å; C728-C794 HydrophobicContact CB-CB 4.12Å; C728-C794 WeakPolarHBondContact CB-SG 3.02Å; C728-C794 WeakPolarHBondContact SG-CB 3.25Å; C728-C794 CovalentContact SG-SG 2.04Å; C728-C794 PolarHBondContact SG-SG 3.44Å; C794-W802 WeakPolarHBondContact O-CA 3.17Å; C794-F803 PolarHBondContact N-O 2.62Å; C794-F803 PolarHBondContact O-N 3.03Å; C794-I805 HydrophobicContact CB-CG1 3.63Å
795	Q	90	Very high	84.6	Confident	40 Å²	40	29.2 Å²	29.2	19%	0.187	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	138.4	177.5	-161.3	169.9	17.5	0	0	110.1	R727 G799 R801 W802	R727-Q795 HydrophobicContact CB-CB 4.36Å; R727-Q795 PolarHBondContact O-N 2.94Å; Q795-G799 PolarHBondContact NE2-O 3.38Å; Q795-R801 WeakPolarHBondContact CA-O 3.06Å; Q795-W802 HydrophobicContact CB-CD2 4.19Å; Q795-W802 HydrophobicContact CB-CE3 4.22Å; Q795-W802 HydrophobicContact CB-CH2 3.8Å; Q795-W802 HydrophobicContact CB-CZ2 3.81Å; Q795-W802 HydrophobicContact CB-CZ3 4.04Å; Q795-W802 HydrophobicContact CG-CH2 4.49Å; Q795-W802 HydrophobicContact CG-CZ2 4Å
796	A	82.9	Confident	86.2	Confident	17 Å²	17	19.9 Å²	19.9	14%	0.14	14%	0.136	C	C	.	.			trans	-63.7	153.6	169.1	0	0	0	0	0	111.4	D798 G799 R801 F803	A796-D798 WeakPolarHBondContact CB-OD1 3.5Å; A796-D798 PolarHBondContact O-N 3.13Å; A796-G799 PolarHBondContact O-N 2.74Å; A796-R801 PolarHBondContact N-O 3.33Å; A796-F803 HydrophobicContact CB-CD2 4.41Å; A796-F803 HydrophobicContact CB-CE2 4.04Å
797	S	70.6	Confident	87.8	Confident	102 Å²	102	19 Å²	19	71%	0.713	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-23.8	-173.8	-50.7	0	0	0	0	114.1	H726 G799	H726-S797 PolarHBondContact NE2-OG 2.86Å; H726-S797 VanDerWaalsContact NE2-OG 3.13Å; S797-G799 PolarHBondContact O-N 3.1Å
798	D	67.7	Low	88.5	Confident	78 Å²	78	18.8 Å²	18.8	42%	0.417	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-10	174.7	64.1	-3	0	0	0	113.5	D570 A796 G800	D570-D798 WeakPolarHBondContact CA-OD2 3.5Å; A796-D798 WeakPolarHBondContact CB-OD1 3.5Å; A796-D798 PolarHBondContact O-N 3.13Å; D798-G800 PolarHBondContact OD1-N 3.4Å; D798-G800 VanDerWaalsContact OD1-N 3.13Å
799	G	63.5	Low	88.7	Confident	41 Å²	41	17.8 Å²	17.8	42%	0.423	12%	0.119	S	C	.	.	S	Bend	trans	83.3	6.2	176.7	0	0	0	0	0	115.3	Q795 A796 S797	Q795-G799 PolarHBondContact NE2-O 3.38Å; A796-G799 PolarHBondContact O-N 2.74Å; S797-G799 PolarHBondContact O-N 3.1Å
800	G	74	Confident	88.6	Confident	31 Å²	31	20.7 Å²	20.7	32%	0.32	13%	0.13	S	C	.	.	S	Bend	trans	-89.8	-57.9	-172.7	0	0	0	0	0	115.1	D798	D798-G800 PolarHBondContact OD1-N 3.4Å; D798-G800 VanDerWaalsContact OD1-N 3.13Å
801	R	87.8	Confident	88.1	Confident	29 Å²	29	22.2 Å²	22.2	11%	0.109	15%	0.145	C	C	.	.			trans	-116.6	157.2	-165.3	-65.7	177	-153.9	-84.7	0.4	113.8	C569 D571 C584 G587 L588 Q795 A796 F803	C569-R801 VanDerWaalsContact O-CD 3.23Å; C569-R801 WeakPolarHBondContact O-CD 3.46Å; C569-R801 PolarHBondContact O-NE 2.96Å; D571-R801 IonicContact OD1-CZ 2.69Å; D571-R801 IonicContact OD1-NE 3.88Å; D571-R801 IonicContact OD1-NH2 3.06Å; D571-R801 PolarHBondContact OD1-NH2 3.04Å; C584-R801 PolarHBondContact O-NH1 3.12Å; G587-R801 WeakPolarHBondContact O-CA 3.39Å; L588-R801 HydrophobicContact CD2-CG 4.05Å; Q795-R801 WeakPolarHBondContact CA-O 3.06Å; A796-R801 PolarHBondContact N-O 3.33Å; R801-F803 HydrophobicContact CB-CE2 4.15Å
802	W	92.6	Very high	87.3	Confident	10 Å²	10	24.9 Å²	24.9	4%	0.038	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	128.8	177.4	-67.4	76.3	0	0	0	111.7	G587 W615 W617 C714 R727 L729 S793 C794 Q795	G587-W802 WeakPolarHBondContact CA-O 3.42Å; G587-W802 PolarHBondContact O-N 2.68Å; W615-W802 HydrophobicContact CH2-CD2 4.3Å; W615-W802 HydrophobicContact CH2-CE3 4.21Å; W615-W802 AromaticContact CH2-CH2 3.85Å; W615-W802 HydrophobicContact CH2-CH2 3.85Å; W615-W802 AromaticContact CH2-CZ2 3.89Å; W615-W802 HydrophobicContact CH2-CZ2 3.89Å; W615-W802 AromaticContact CH2-CZ3 3.98Å; W615-W802 HydrophobicContact CH2-CZ3 3.98Å; W615-W802 AromaticContact CZ3-CD2 3.88Å; W615-W802 HydrophobicContact CZ3-CD2 3.88Å; W615-W802 AromaticContact CZ3-CE3 3.89Å; W615-W802 HydrophobicContact CZ3-CE3 3.89Å; W615-W802 HydrophobicContact CZ3-CH2 4.35Å; W615-W802 HydrophobicContact CZ3-CZ2 4.29Å; W615-W802 HydrophobicContact CZ3-CZ3 4.13Å; W617-W802 HydrophobicContact CH2-CB 3.48Å; W617-W802 VanDerWaalsContact CH2-CB 3.48Å; W617-W802 AromaticContact CH2-CD1 3.87Å; W617-W802 AromaticContact CH2-CG 3.65Å; W617-W802 HydrophobicContact CH2-CG 3.65Å; W617-W802 HydrophobicContact CZ2-CB 3.57Å; W617-W802 HydrophobicContact CZ2-CD2 4.4Å; W617-W802 AromaticContact CZ2-CG 3.83Å; W617-W802 HydrophobicContact CZ2-CG 3.83Å; W617-W802 HydrophobicContact CZ3-CB 4.45Å; C714-W802 WeakPolarHBondContact CB-O 3Å; C714-W802 PolarHBondContact N-O 2.94Å; R727-W802 HydrophobicContact CG-CH2 4.4Å; L729-W802 HydrophobicContact CB-CZ3 4.44Å; L729-W802 HydrophobicContact CD1-CH2 3.21Å; L729-W802 HydrophobicContact CD1-CZ2 4.32Å; L729-W802 HydrophobicContact CD1-CZ3 3.55Å; S793-W802 WeakPolarHBondContact O-CZ3 3.1Å; C794-W802 WeakPolarHBondContact O-CA 3.17Å; Q795-W802 HydrophobicContact CB-CD2 4.19Å; Q795-W802 HydrophobicContact CB-CE3 4.22Å; Q795-W802 HydrophobicContact CB-CH2 3.8Å; Q795-W802 HydrophobicContact CB-CZ2 3.81Å; Q795-W802 HydrophobicContact CB-CZ3 4.04Å; Q795-W802 HydrophobicContact CG-CH2 4.49Å; Q795-W802 HydrophobicContact CG-CZ2 4Å
803	F	94.4	Very high	86	Confident	2 Å²	2	26 Å²	26	1%	0.009	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	143.4	177.5	-69.8	-94.6	0	0	0	110.9	K568 C569 C714 P716 H720 S793 C794 A796 R801 I805	K568-F803 WeakPolarHBondContact O-CZ 3.43Å; C569-F803 HydrophobicContact CB-CZ 4.36Å; C714-F803 HydrophobicContact CB-CD1 3.54Å; C714-F803 HydrophobicContact CB-CE1 3.62Å; C714-F803 HydrophobicContact CB-CG 4.07Å; C714-F803 HydrophobicContact CB-CZ 4.2Å; C714-F803 WeakPolarHBondContact O-CA 3.21Å; P716-F803 HydrophobicContact CB-CD1 4.26Å; H720-F803 AromaticContact CE1-CD2 3.87Å; H720-F803 AromaticContact CE1-CG 3.77Å; S793-F803 CarbonylContact C-O 3.59Å; S793-F803 VanDerWaalsContact CA-O 3.29Å; S793-F803 WeakPolarHBondContact CA-O 3.3Å; C794-F803 PolarHBondContact N-O 2.62Å; C794-F803 PolarHBondContact O-N 3.03Å; A796-F803 HydrophobicContact CB-CD2 4.41Å; A796-F803 HydrophobicContact CB-CE2 4.04Å; R801-F803 HydrophobicContact CB-CE2 4.15Å; F803-I805 HydrophobicContact CB-CD1 3.81Å; F803-I805 HydrophobicContact CB-CG1 4.37Å; F803-I805 PolarHBondContact O-N 3.19Å
804	L	96.3	Very high	84.9	Confident	0 Å²	0	27 Å²	27	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	96	173.1	-175.4	67.3	0	0	0	109.3	L634 V640 V713 C714 P716 P791 G806 V826	L634-L804 HydrophobicContact CD2-CD2 4.35Å; V640-L804 HydrophobicContact CG1-CD2 3.55Å; V713-L804 HydrophobicContact CB-CB 4.42Å; V713-L804 HydrophobicContact CG1-CB 3.68Å; V713-L804 HydrophobicContact CG1-CD1 4.42Å; V713-L804 HydrophobicContact CG1-CD2 4.04Å; V713-L804 HydrophobicContact CG1-CG 4.25Å; V713-L804 HydrophobicContact CG2-CB 3.85Å; C714-L804 PolarHBondContact O-N 2.81Å; P716-L804 VanDerWaalsContact CD-O 3.23Å; P716-L804 WeakPolarHBondContact CD-O 2.97Å; P716-L804 WeakPolarHBondContact CG-O 3.13Å; P791-L804 HydrophobicContact CB-CD1 3.47Å; P791-L804 VanDerWaalsContact CB-CD1 3.47Å; L804-G806 WeakPolarHBondContact CD1-O 2.91Å; L804-V826 HydrophobicContact CD2-CG2 4.33Å; L804-V826 HydrophobicContact CG-CG2 4.11Å; L804-V826 WeakPolarHBondContact O-CB 3.35Å; L804-V826 WeakPolarHBondContact O-CG1 3.32Å
805	I	96.1	Very high	83.8	Confident	7 Å²	7	28.2 Å²	28.2	4%	0.036	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-34.8	-175.7	-59.7	-54.8	0	0	0	111.3	P716 V722 L772 L792 C794 F803 V826	P716-I805 HydrophobicContact CB-CD1 4.19Å; P716-I805 HydrophobicContact CG-CD1 4.29Å; V722-I805 HydrophobicContact CB-CG2 4.47Å; V722-I805 HydrophobicContact CG2-CD1 3.61Å; V722-I805 HydrophobicContact CG2-CG1 3.83Å; V722-I805 HydrophobicContact CG2-CG2 3.89Å; L772-I805 HydrophobicContact CD2-CG2 3.94Å; L792-I805 PolarHBondContact O-N 3.42Å; C794-I805 HydrophobicContact CB-CG1 3.63Å; F803-I805 HydrophobicContact CB-CD1 3.81Å; F803-I805 HydrophobicContact CB-CG1 4.37Å; F803-I805 PolarHBondContact O-N 3.19Å; I805-V826 PolarHBondContact O-N 2.88Å
806	G	96.6	Very high	83.2	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	160.8	179.8	0	0	0	0	0	114	L792 L804 T824	L792-G806 PolarHBondContact N-O 2.99Å; L792-G806 PolarHBondContact O-N 3.47Å; L804-G806 WeakPolarHBondContact CD1-O 2.91Å; G806-T824 CarbonylContact C-O 3.52Å; G806-T824 WeakPolarHBondContact CA-O 3.25Å
807	I	97.6	Very high	83.1	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	128.3	169.8	-58.9	161.3	0	0	0	107.4	V640 A642 I693 G790 S809 Y823 T824 V826	V640-I807 HydrophobicContact CG2-CD1 3.6Å; A642-I807 HydrophobicContact CB-CG2 4.16Å; I693-I807 HydrophobicContact CB-CD1 4.48Å; I693-I807 HydrophobicContact CD1-CD1 3.88Å; I693-I807 HydrophobicContact CG1-CD1 3.8Å; G790-I807 WeakPolarHBondContact O-CA 3.21Å; I807-S809 PolarHBondContact O-N 3.29Å; I807-Y823 CarbonylContact O-C 3.59Å; I807-Y823 WeakPolarHBondContact O-CA 3.24Å; I807-Y823 WeakPolarHBondContact O-CB 3.34Å; I807-T824 PolarHBondContact N-O 3.19Å; I807-T824 PolarHBondContact O-N 2.74Å; I807-V826 HydrophobicContact CD1-CG2 4.02Å; I807-V826 HydrophobicContact CG1-CG2 3.88Å
808	V	95.1	Very high	83.6	Confident	10 Å²	10	35.4 Å²	35.4	6%	0.061	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	120.4	179.9	179.3	0	0	0	0	109.6	V730 A783 D787 G789 G790 Y823	V730-V808 HydrophobicContact CG1-CG2 3.97Å; A783-V808 HydrophobicContact CB-CG1 3.76Å; A783-V808 HydrophobicContact CB-CG2 4.07Å; D787-V808 HydrophobicContact CB-CG1 4.34Å; D787-V808 HydrophobicContact CB-CG2 4.47Å; D787-V808 VanDerWaalsContact O-CB 3.3Å; D787-V808 WeakPolarHBondContact O-CB 3.38Å; G789-V808 PolarHBondContact N-O 2.83Å; G790-V808 WeakPolarHBondContact O-CG2 3.3Å; G790-V808 PolarHBondContact O-N 3.05Å; V808-Y823 HydrophobicContact CB-CD1 4.37Å; V808-Y823 HydrophobicContact CB-CE1 4.36Å; V808-Y823 HydrophobicContact CG2-CD1 4Å; V808-Y823 HydrophobicContact CG2-CE1 3.65Å
809	S	92.8	Very high	84.3	Confident	4 Å²	4	34.1 Å²	34.1	3%	0.028	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	-72.3	-173.5	-179.6	0	0	0	0	112	H644 D692 I807 V822	H644-S809 PolarHBondContact CE1-O 3.42Å; D692-S809 WeakPolarHBondContact OD2-CB 3.09Å; D692-S809 PolarHBondContact OD2-OG 2.96Å; I807-S809 PolarHBondContact O-N 3.29Å; S809-V822 WeakPolarHBondContact CB-O 3.36Å; S809-V822 PolarHBondContact N-O 3.32Å; S809-V822 VanDerWaalsContact N-O 3.14Å
810	W	88.9	Confident	85.5	Confident	61 Å²	61	32.6 Å²	32.6	23%	0.231	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	172.3	-177	66.5	-86.9	0	0	0	112.5	F689 Y764 I767 V822	F689-W810 VanDerWaalsContact CB-CD1 3.42Å; F689-W810 HydrophobicContact CB-CG 4.32Å; F689-W810 HydrophobicContact CD1-CB 4.4Å; F689-W810 HydrophobicContact CD2-CG 4.32Å; F689-W810 HydrophobicContact CG-CB 4.46Å; F689-W810 AromaticContact CG-CD1 3.7Å; F689-W810 HydrophobicContact CG-CG 4.16Å; Y764-W810 HydrophobicContact CD1-CH2 4.17Å; Y764-W810 HydrophobicContact CD1-CZ3 4.15Å; Y764-W810 HydrophobicContact CE1-CZ3 4.28Å; Y764-W810 HydrophobicContact CG-CH2 4.12Å; Y764-W810 HydrophobicContact CG-CZ3 4.48Å; I767-W810 HydrophobicContact CD1-CH2 4.04Å; I767-W810 HydrophobicContact CD1-CZ2 3.67Å; W810-V822 HydrophobicContact CD2-CB 4.07Å; W810-V822 HydrophobicContact CD2-CG2 4.17Å; W810-V822 HydrophobicContact CE3-CG2 4.33Å; W810-V822 HydrophobicContact CG-CB 4.3Å; W810-V822 HydrophobicContact CH2-CG2 4.07Å; W810-V822 HydrophobicContact CZ2-CB 4.26Å; W810-V822 HydrophobicContact CZ2-CG1 4.11Å; W810-V822 HydrophobicContact CZ2-CG2 3.91Å; W810-V822 HydrophobicContact CZ3-CG2 4.27Å; W810-V822 PolarHBondContact N-O 3.44Å; W810-V822 VanDerWaalsContact N-O 3.15Å; W810-V822 WeakPolarHBondContact O-CA 3.32Å; W810-V822 VanDerWaalsContact O-CB 3.3Å; W810-V822 WeakPolarHBondContact O-CB 3.4Å; W810-V822 PolarHBondContact O-N 3.42Å
811	G	83.8	Confident	86.3	Confident	32 Å²	32	31.3 Å²	31.3	33%	0.33	18%	0.183	S	C	.	.			trans	-171.1	159.3	176	0	0	0	0	0	111.3	G813	G811-G813 PolarHBondContact O-N 2.65Å
812	S	79.2	Confident	86.5	Confident	56 Å²	56	30 Å²	30	39%	0.392	18%	0.178	S	C	.	.	S	Bend	trans	-84.7	43.7	177.8	-70.1	0	0	0	0	112.9	Y764 R816	Y764-S812 WeakPolarHBondContact CE1-OG 3.4Å; Y764-S812 PolarHBondContact OH-N 3.18Å; S812-R816 VanDerWaalsContact O-CD 3.25Å; S812-R816 WeakPolarHBondContact O-CD 3.46Å; S812-R816 PolarHBondContact O-NE 2.91Å; S812-R816 PolarHBondContact O-NH1 3Å; S812-R816 VanDerWaalsContact O-NH1 3.13Å
813	G	68.1	Low	86.7	Confident	23 Å²	23	29.6 Å²	29.6	24%	0.237	18%	0.177	C	C	.	.	S	Bend	trans	127.1	-175.8	-170.2	0	0	0	0	0	112.1	E738 G811	E738-G813 VanDerWaalsContact OE1-C 3.28Å; E738-G813 WeakPolarHBondContact OE1-CA 2.94Å; G811-G813 PolarHBondContact O-N 2.65Å
814	C	71.8	Confident	86.8	Confident	22 Å²	22	29.6 Å²	29.6	15%	0.149	18%	0.177	C	C	.	.	S	Bend	trans	-121.1	119.3	170.3	-47.1	0	0	0	0	108.4	E738 C784	E738-C814 HydrophobicContact CG-CB 3.91Å; E738-C814 PolarHBondContact OE1-N 2.97Å; C784-C814 WeakPolarHBondContact CA-SG 3.37Å; C784-C814 HydrophobicContact CB-CB 3.57Å; C784-C814 WeakPolarHBondContact CB-SG 3.4Å; C784-C814 WeakPolarHBondContact SG-CB 3.43Å; C784-C814 CovalentContact SG-SG 2.03Å; C784-C814 PolarHBondContact SG-SG 2.82Å
815	G	69.1	Low	86.7	Confident	28 Å²	28	31.9 Å²	31.9	29%	0.289	19%	0.186	S	C	.	.	S	Bend	trans	68.6	38.3	172.6	0	0	0	0	0	113.9	G779 D782	G779-G815 CarbonylContact C-O 3.51Å; G779-G815 CarbonylContact O-C 3.57Å; G779-G815 WeakPolarHBondContact O-CA 3.43Å; D782-G815 VanDerWaalsContact CB-N 3.29Å; D782-G815 PolarHBondContact OD2-N 3.17Å
816	R	78.3	Confident	86.7	Confident	112 Å²	112	31.6 Å²	31.6	42%	0.423	18%	0.184	S	C	.	.	B	Isolated β-bridge	trans	-89.6	135.8	172.5	-69.2	-176.9	-173.1	-169	-8.4	109.7	E738 S812 N818 L819	E738-R816 IonicContact OE1-CZ 2.77Å; E738-R816 IonicContact OE1-NE 2.74Å; E738-R816 PolarHBondContact OE1-NE 3Å; E738-R816 IonicContact OE1-NH2 3.44Å; E738-R816 PolarHBondContact OE1-NH2 2.94Å; E738-R816 IonicContact OE2-CZ 3.86Å; E738-R816 IonicContact OE2-NE 3.11Å; E738-R816 PolarHBondContact OE2-NE 3.44Å; E738-R816 IonicContact OE2-NH2 3.23Å; E738-R816 PolarHBondContact OE2-NH2 2.72Å; S812-R816 VanDerWaalsContact O-CD 3.25Å; S812-R816 WeakPolarHBondContact O-CD 3.46Å; S812-R816 PolarHBondContact O-NE 2.91Å; S812-R816 PolarHBondContact O-NH1 3Å; S812-R816 VanDerWaalsContact O-NH1 3.13Å; R816-N818 PolarHBondContact O-N 2.04Å; R816-L819 HydrophobicContact CB-CB 3.98Å; R816-L819 HydrophobicContact CB-CD1 3.95Å; R816-L819 HydrophobicContact CB-CG 4.41Å; R816-L819 PolarHBondContact O-N 2.88Å; R816-L819 VanDerWaalsContact O-N 3.12Å
817	P	80.3	Confident	86.6	Confident	84 Å²	84	32.2 Å²	32.2	55%	0.545	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	134.3	177.4	-25	32.8	0	0	0	111.7	L819	P817-L819 PolarHBondContact O-N 2.04Å; P817-L819 VanDerWaalsContact O-N 3.16Å
818	N	80.9	Confident	86.3	Confident	113 Å²	113	35.7 Å²	35.7	60%	0.604	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.1	14.1	-178.2	-51.5	-54.9	0	0	0	116.4	P777 R816	P777-N818 PolarHBondContact O-N 2.86Å; R816-N818 PolarHBondContact O-N 2.04Å
819	L	84.3	Confident	86.2	Confident	52 Å²	52	35.4 Å²	35.4	27%	0.272	20%	0.201	S	C	.	.	B	Isolated β-bridge	trans	-121.8	86.3	174.8	-67.8	177.4	0	0	0	108.6	Y764 R816 P817	Y764-L819 HydrophobicContact CE1-CD2 3.91Å; R816-L819 HydrophobicContact CB-CB 3.98Å; R816-L819 HydrophobicContact CB-CD1 3.95Å; R816-L819 HydrophobicContact CB-CG 4.41Å; R816-L819 PolarHBondContact O-N 2.88Å; R816-L819 VanDerWaalsContact O-N 3.12Å; P817-L819 PolarHBondContact O-N 2.04Å; P817-L819 VanDerWaalsContact O-N 3.16Å
820	P	88.4	Confident	86.2	Confident	8 Å²	8	35.5 Å²	35.5	5%	0.052	20%	0.202	C	C	.	.			trans	-70	162.3	-177.5	30.5	-36.6	0	0	0	112	M755 Y764 C773	M755-P820 HydrophobicContact SD-CB 3.59Å; M755-P820 VanDerWaalsContact SD-CB 3.59Å; M755-P820 HydrophobicContact SD-CG 3.58Å; M755-P820 VanDerWaalsContact SD-CG 3.58Å; Y764-P820 HydrophobicContact CE2-CG 3.95Å; Y764-P820 WeakPolarHBondContact CE2-O 2.97Å; Y764-P820 PolarHBondContact OH-O 2.85Å; C773-P820 HydrophobicContact CB-CB 4.06Å; C773-P820 HydrophobicContact CB-CG 3.71Å
821	G	89.7	Confident	86.3	Confident	4 Å²	4	36.7 Å²	36.7	4%	0.041	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	144.9	166.2	0	0	0	0	0	111.3	C773 A774 D782 Y823	C773-G821 WeakPolarHBondContact CA-O 3.49Å; A774-G821 PolarHBondContact N-O 2.04Å; A774-G821 VanDerWaalsContact N-O 3.1Å; A774-G821 PolarHBondContact O-N 2.94Å; D782-G821 VanDerWaalsContact OD1-CA 3.32Å; D782-G821 WeakPolarHBondContact OD1-CA 3.36Å; D782-G821 PolarHBondContact OD1-N 2.92Å; D782-G821 VanDerWaalsContact OD1-N 3.16Å; G821-Y823 VanDerWaalsContact C-CE2 3.48Å; G821-Y823 WeakPolarHBondContact O-CD2 3.17Å; G821-Y823 VanDerWaalsContact O-CE2 3.23Å; G821-Y823 WeakPolarHBondContact O-CE2 3.21Å
822	V	93.1	Very high	86.7	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.012	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	129.8	176.1	-174	0	0	0	0	109.5	Y764 I767 M771 S809 W810	Y764-V822 HydrophobicContact CD2-CG2 3.82Å; Y764-V822 HydrophobicContact CE2-CG2 3.69Å; I767-V822 HydrophobicContact CD1-CG1 3.99Å; I767-V822 HydrophobicContact CD1-CG2 3.96Å; M771-V822 HydrophobicContact CB-CG1 3.88Å; M771-V822 HydrophobicContact CG-CG1 4.2Å; M771-V822 HydrophobicContact SD-CG1 4.08Å; S809-V822 WeakPolarHBondContact CB-O 3.36Å; S809-V822 PolarHBondContact N-O 3.32Å; S809-V822 VanDerWaalsContact N-O 3.14Å; W810-V822 HydrophobicContact CD2-CB 4.07Å; W810-V822 HydrophobicContact CD2-CG2 4.17Å; W810-V822 HydrophobicContact CE3-CG2 4.33Å; W810-V822 HydrophobicContact CG-CB 4.3Å; W810-V822 HydrophobicContact CH2-CG2 4.07Å; W810-V822 HydrophobicContact CZ2-CB 4.26Å; W810-V822 HydrophobicContact CZ2-CG1 4.11Å; W810-V822 HydrophobicContact CZ2-CG2 3.91Å; W810-V822 HydrophobicContact CZ3-CG2 4.27Å; W810-V822 PolarHBondContact N-O 3.44Å; W810-V822 VanDerWaalsContact N-O 3.15Å; W810-V822 WeakPolarHBondContact O-CA 3.32Å; W810-V822 VanDerWaalsContact O-CB 3.3Å; W810-V822 WeakPolarHBondContact O-CB 3.4Å; W810-V822 PolarHBondContact O-N 3.42Å
823	Y	95.4	Very high	87.5	Confident	1 Å²	1	33.6 Å²	33.6	0%	0.004	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	145.4	-175.6	-55.4	-104.6	0	0	0	109.8	V730 M771 L772 A774 A783 L792 I807 V808 G821 R825	V730-Y823 HydrophobicContact CG2-CE1 3.82Å; V730-Y823 WeakPolarHBondContact CG2-OH 3.3Å; M771-Y823 CarbonylContact C-O 3.58Å; M771-Y823 VanDerWaalsContact CA-O 3.22Å; M771-Y823 WeakPolarHBondContact CA-O 3.35Å; L772-Y823 HydrophobicContact CD1-CD2 4.05Å; L772-Y823 HydrophobicContact CD1-CG 4.25Å; L772-Y823 PolarHBondContact N-O 3.08Å; L772-Y823 PolarHBondContact O-N 2.79Å; A774-Y823 HydrophobicContact CB-CD2 4.04Å; A774-Y823 HydrophobicContact CB-CE2 3.63Å; A783-Y823 HydrophobicContact CB-CE1 4.41Å; L792-Y823 HydrophobicContact CB-CD1 3.7Å; L792-Y823 HydrophobicContact CB-CE1 3.93Å; L792-Y823 HydrophobicContact CB-CG 4.44Å; L792-Y823 HydrophobicContact CD1-CE1 4.4Å; L792-Y823 HydrophobicContact CD2-CD1 4.01Å; L792-Y823 HydrophobicContact CD2-CD2 4.23Å; L792-Y823 HydrophobicContact CD2-CE1 4.35Å; L792-Y823 HydrophobicContact CD2-CG 3.96Å; L792-Y823 HydrophobicContact CG-CD1 4.38Å; L792-Y823 HydrophobicContact CG-CE1 4.47Å; I807-Y823 CarbonylContact O-C 3.59Å; I807-Y823 WeakPolarHBondContact O-CA 3.24Å; I807-Y823 WeakPolarHBondContact O-CB 3.34Å; V808-Y823 HydrophobicContact CB-CD1 4.37Å; V808-Y823 HydrophobicContact CB-CE1 4.36Å; V808-Y823 HydrophobicContact CG2-CD1 4Å; V808-Y823 HydrophobicContact CG2-CE1 3.65Å; G821-Y823 VanDerWaalsContact C-CE2 3.48Å; G821-Y823 WeakPolarHBondContact O-CD2 3.17Å; G821-Y823 VanDerWaalsContact O-CE2 3.23Å; G821-Y823 WeakPolarHBondContact O-CE2 3.21Å; Y823-R825 PolarHBondContact O-N 2.97Å
824	T	96.7	Very high	88.6	Confident	3 Å²	3	36.9 Å²	36.9	2%	0.018	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	123.5	169.3	-56.8	0	0	0	0	109.1	D692 I693 G806 I807 V826 F829	D692-T824 PolarHBondContact O-OG1 2.92Å; I693-T824 HydrophobicContact CB-CG2 4.31Å; G806-T824 CarbonylContact C-O 3.52Å; G806-T824 WeakPolarHBondContact CA-O 3.25Å; I807-T824 PolarHBondContact N-O 3.19Å; I807-T824 PolarHBondContact O-N 2.74Å; T824-V826 PolarHBondContact O-N 3.25Å; T824-F829 HydrophobicContact CG2-CD2 3.78Å; T824-F829 HydrophobicContact CG2-CE2 3.37Å; T824-F829 HydrophobicContact CG2-CZ 4.25Å
825	R	95.6	Very high	89.4	Confident	48 Å²	48	39.5 Å²	39.5	18%	0.181	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	106.7	-178	-177.8	-175.3	-61.1	-162	12	110.8	E503 P769 R770 M771 L772 Y823 T827 K828 F829	E503-R825 IonicContact OE1-CZ 3.82Å; E503-R825 IonicContact OE1-NH1 2.76Å; E503-R825 PolarHBondContact OE1-NH1 2.85Å; E503-R825 IonicContact OE2-NH2 3.33Å; P769-R825 WeakPolarHBondContact O-CD 3.38Å; P769-R825 PolarHBondContact O-NE 3.19Å; R770-R825 WeakPolarHBondContact O-CB 3.27Å; R770-R825 PolarHBondContact O-N 2.65Å; M771-R825 PolarHBondContact O-NE 3.45Å; M771-R825 PolarHBondContact O-NH2 3.17Å; L772-R825 HydrophobicContact CD2-CB 4Å; L772-R825 HydrophobicContact CD2-CG 4.02Å; Y823-R825 PolarHBondContact O-N 2.97Å; R825-T827 VanDerWaalsContact C-N 3.34Å; R825-T827 WeakPolarHBondContact CG-OG1 3.36Å; R825-T827 PolarHBondContact O-N 3.08Å; R825-K828 HydrophobicContact CG-CG 4.32Å; R825-K828 PolarHBondContact O-N 2.79Å; R825-F829 VanDerWaalsContact O-CD2 3.24Å; R825-F829 WeakPolarHBondContact O-CD2 2.98Å
826	V	96.3	Very high	90.3	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-67.3	-31.1	-170.2	174.7	0	0	0	0	113.1	L715 P716 L804 I805 I807 T824 K828 F829 T830 I833	L715-V826 HydrophobicContact CD2-CG1 4.12Å; P716-V826 HydrophobicContact CG-CB 4.46Å; P716-V826 HydrophobicContact CG-CG1 4.13Å; L804-V826 HydrophobicContact CD2-CG2 4.33Å; L804-V826 HydrophobicContact CG-CG2 4.11Å; L804-V826 WeakPolarHBondContact O-CB 3.35Å; L804-V826 WeakPolarHBondContact O-CG1 3.32Å; I805-V826 PolarHBondContact O-N 2.88Å; I807-V826 HydrophobicContact CD1-CG2 4.02Å; I807-V826 HydrophobicContact CG1-CG2 3.88Å; T824-V826 PolarHBondContact O-N 3.25Å; V826-K828 PolarHBondContact O-N 3.17Å; V826-K828 VanDerWaalsContact O-N 3.1Å; V826-F829 CarbonylContact O-C 3.52Å; V826-F829 WeakPolarHBondContact O-CA 3.34Å; V826-F829 PolarHBondContact O-N 3.13Å; V826-T830 PolarHBondContact O-N 3.4Å; V826-T830 VanDerWaalsContact O-N 3.13Å; V826-T830 PolarHBondContact O-OG1 3.28Å; V826-I833 HydrophobicContact CG1-CD1 4.19Å
827	T	92.6	Very high	90.7	Very high	14 Å²	14	36.6 Å²	36.6	9%	0.086	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-58.5	-26.5	179.3	55	0	0	0	0	113.7	P716 S718 H720 R825 F829	P716-T827 HydrophobicContact CB-CG2 3.88Å; P716-T827 HydrophobicContact CG-CG2 3.73Å; S718-T827 PolarHBondContact OG-O 3.25Å; H720-T827 HydrophobicContact CB-CG2 4.07Å; R825-T827 VanDerWaalsContact C-N 3.34Å; R825-T827 WeakPolarHBondContact CG-OG1 3.36Å; R825-T827 PolarHBondContact O-N 3.08Å; T827-F829 VanDerWaalsContact C-N 3.33Å
828	K	91.6	Very high	90	Very high	72 Å²	72	40 Å²	40	31%	0.313	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-81.8	-9.7	175.9	-61	-76.3	-173.6	169	0	113	D498 E503 R770 R825 V826	D498-K828 IonicContact OD2-NZ 2.94Å; D498-K828 PolarHBondContact OD2-NZ 2.86Å; D498-K828 VanDerWaalsContact OD2-NZ 3.11Å; E503-K828 IonicContact OE1-NZ 3.87Å; E503-K828 PolarHBondContact OE1-NZ 3.14Å; R770-K828 HydrophobicContact CG-CB 4.07Å; R770-K828 HydrophobicContact CG-CG 4.38Å; R825-K828 HydrophobicContact CG-CG 4.32Å; R825-K828 PolarHBondContact O-N 2.79Å; V826-K828 PolarHBondContact O-N 3.17Å; V826-K828 VanDerWaalsContact O-N 3.1Å
829	F	94.4	Very high	90.5	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.018	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	-3.2	-177	-62.4	-71.3	0	0	0	114.3	H681 Y691 I693 R770 T824 R825 V826 T827 S831 W832 I833	H681-F829 AromaticContact CD2-CD1 3.69Å; H681-F829 AromaticContact CD2-CE1 3.73Å; H681-F829 AromaticContact NE2-CD1 3.81Å; H681-F829 AromaticContact NE2-CE1 3.78Å; Y691-F829 AromaticContact CD1-CE1 3.49Å; Y691-F829 HydrophobicContact CD1-CE1 3.49Å; Y691-F829 VanDerWaalsContact CD1-CE1 3.49Å; Y691-F829 HydrophobicContact CD1-CZ 4.04Å; Y691-F829 AromaticContact CE1-CE1 3.92Å; Y691-F829 HydrophobicContact CE1-CE1 3.92Å; Y691-F829 HydrophobicContact CG-CE1 4.27Å; Y691-F829 HydrophobicContact CG-CZ 4.44Å; I693-F829 HydrophobicContact CD1-CB 3.8Å; I693-F829 HydrophobicContact CD1-CD2 4.44Å; I693-F829 HydrophobicContact CD1-CG 4.11Å; I693-F829 HydrophobicContact CG2-CD1 3.98Å; I693-F829 HydrophobicContact CG2-CE1 4.2Å; I693-F829 HydrophobicContact CG2-CG 4.18Å; R770-F829 HydrophobicContact CB-CE2 3.88Å; R770-F829 HydrophobicContact CB-CZ 3.74Å; R770-F829 HydrophobicContact CG-CE2 4.21Å; R770-F829 HydrophobicContact CG-CZ 3.81Å; T824-F829 HydrophobicContact CG2-CD2 3.78Å; T824-F829 HydrophobicContact CG2-CE2 3.37Å; T824-F829 HydrophobicContact CG2-CZ 4.25Å; R825-F829 VanDerWaalsContact O-CD2 3.24Å; R825-F829 WeakPolarHBondContact O-CD2 2.98Å; V826-F829 CarbonylContact O-C 3.52Å; V826-F829 WeakPolarHBondContact O-CA 3.34Å; V826-F829 PolarHBondContact O-N 3.13Å; T827-F829 VanDerWaalsContact C-N 3.33Å; F829-S831 VanDerWaalsContact C-N 3.27Å; F829-S831 PolarHBondContact O-N 3.3Å; F829-W832 WeakPolarHBondContact O-CB 3.04Å; F829-W832 PolarHBondContact O-N 3.11Å; F829-I833 WeakPolarHBondContact O-CG1 3.46Å; F829-I833 PolarHBondContact O-N 2.03Å
830	T	92.1	Very high	90.8	Very high	7 Å²	7	35.5 Å²	35.5	4%	0.043	20%	0.201	C	C	.	.	H	α-helix	trans	-52.8	-41.2	-177.6	-57.3	0	0	0	0	113.2	P716 V826 I833 Y834	P716-T830 WeakPolarHBondContact O-CG2 3.28Å; P716-T830 PolarHBondContact O-OG1 2.83Å; V826-T830 PolarHBondContact O-N 3.4Å; V826-T830 VanDerWaalsContact O-N 3.13Å; V826-T830 PolarHBondContact O-OG1 3.28Å; T830-I833 PolarHBondContact O-N 2.83Å; T830-Y834 HydrophobicContact CG2-CD2 3.69Å; T830-Y834 HydrophobicContact CG2-CE2 3.37Å; T830-Y834 WeakPolarHBondContact O-CD2 3.03Å; T830-Y834 PolarHBondContact O-N 3.07Å
831	S	90.6	Very high	90.9	Very high	86 Å²	86	37 Å²	37	60%	0.601	21%	0.209	S	C	*	.	H	α-helix	trans	-64.4	-43.5	177	52.4	0	0	0	0	112.8	F829 I833 Y834 S835	F829-S831 VanDerWaalsContact C-N 3.27Å; F829-S831 PolarHBondContact O-N 3.3Å; S831-I833 VanDerWaalsContact C-N 3.33Å; S831-Y834 PolarHBondContact O-N 2.98Å; S831-S835 PolarHBondContact O-N 2.02Å
832	W	92.9	Very high	91	Very high	23 Å²	23	38.9 Å²	38.9	9%	0.087	22%	0.219	C	C	.	.	H	α-helix	trans	-65.6	-35.6	176.1	177.6	88.4	0	0	0	112	V679 H681 E682 I693 L695 F829 S835 H836	V679-W832 HydrophobicContact CG1-CZ2 4.16Å; H681-W832 HydrophobicContact CB-CH2 4.28Å; H681-W832 HydrophobicContact CB-CZ2 3.89Å; H681-W832 AromaticContact CD2-CD1 3.99Å; H681-W832 AromaticContact CD2-CD2 3.73Å; H681-W832 AromaticContact CD2-CE2 3.71Å; H681-W832 AromaticContact CD2-CG 3.95Å; H681-W832 AromaticContact CD2-NE1 3.82Å; H681-W832 AromaticContact CG-CE2 3.95Å; H681-W832 AromaticContact CG-NE1 4Å; H681-W832 AromaticContact NE2-CD1 3.76Å; H681-W832 AromaticContact NE2-CG 3.9Å; H681-W832 AromaticContact NE2-NE1 3.96Å; E682-W832 PolarHBondContact OE2-NE1 3.16Å; E682-W832 VanDerWaalsContact OE2-NE1 3.1Å; I693-W832 HydrophobicContact CD1-CE3 4.24Å; I693-W832 HydrophobicContact CD1-CZ3 3.96Å; I693-W832 HydrophobicContact CG1-CZ3 3.93Å; I693-W832 HydrophobicContact CG2-CE3 4.32Å; I693-W832 HydrophobicContact CG2-CH2 4.39Å; I693-W832 HydrophobicContact CG2-CZ3 3.98Å; L695-W832 HydrophobicContact CD1-CE3 4.42Å; L695-W832 HydrophobicContact CD1-CH2 4.07Å; L695-W832 HydrophobicContact CD1-CZ3 3.87Å; L695-W832 HydrophobicContact CD2-CZ3 4.43Å; L695-W832 HydrophobicContact CG-CH2 3.88Å; L695-W832 HydrophobicContact CG-CZ3 3.69Å; F829-W832 WeakPolarHBondContact O-CB 3.04Å; F829-W832 PolarHBondContact O-N 3.11Å; W832-S835 PolarHBondContact O-OG 3.4Å; W832-H836 AromaticContact CD1-CE1 3.82Å; W832-H836 AromaticContact CE2-CE1 3.65Å; W832-H836 AromaticContact CE2-ND1 3.96Å; W832-H836 AromaticContact NE1-CE1 3.39Å; W832-H836 PolarHBondContact NE1-CE1 3.42Å; W832-H836 PolarHBondContact O-ND1 2.98Å
833	I	94.8	Very high	90.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.2	-52.2	173.5	-64.5	169.9	0	0	0	109.8	L634 I693 L695 L715 V826 F829 T830 S831 S835 H836 I837	L634-I833 HydrophobicContact CD1-CG2 3.65Å; I693-I833 HydrophobicContact CD1-CD1 4.03Å; I693-I833 HydrophobicContact CD1-CG1 4.18Å; L695-I833 HydrophobicContact CD2-CG1 4.42Å; L695-I833 HydrophobicContact CD2-CG2 4.31Å; L715-I833 HydrophobicContact CD1-CG2 3.73Å; L715-I833 HydrophobicContact CD2-CD1 3.99Å; V826-I833 HydrophobicContact CG1-CD1 4.19Å; F829-I833 WeakPolarHBondContact O-CG1 3.46Å; F829-I833 PolarHBondContact O-N 2.03Å; T830-I833 PolarHBondContact O-N 2.83Å; S831-I833 VanDerWaalsContact C-N 3.33Å; I833-S835 VanDerWaalsContact C-N 3.31Å; I833-S835 PolarHBondContact O-N 2.95Å; I833-H836 PolarHBondContact O-N 2.94Å; I833-H836 VanDerWaalsContact O-N 3.13Å; I833-I837 HydrophobicContact CG2-CD1 4.01Å; I833-I837 HydrophobicContact CG2-CG2 4.4Å; I833-I837 WeakPolarHBondContact O-CG1 3.22Å; I833-I837 PolarHBondContact O-N 3.32Å
834	Y	91.6	Very high	90.6	Very high	91 Å²	91	43.9 Å²	43.9	36%	0.357	25%	0.248	S	C	.	.	H	α-helix	trans	-61.4	-34.3	-179.5	-76.9	-59.2	0	0	0	113.5	L715 T830 S831 H836 I837 S838	L715-Y834 HydrophobicContact CD1-CE1 4.37Å; T830-Y834 HydrophobicContact CG2-CD2 3.69Å; T830-Y834 HydrophobicContact CG2-CE2 3.37Å; T830-Y834 WeakPolarHBondContact O-CD2 3.03Å; T830-Y834 PolarHBondContact O-N 3.07Å; S831-Y834 PolarHBondContact O-N 2.98Å; Y834-H836 PolarHBondContact O-N 2.8Å; Y834-H836 VanDerWaalsContact O-N 3.15Å; Y834-I837 HydrophobicContact CD1-CD1 3.94Å; Y834-I837 HydrophobicContact CD1-CG1 4.19Å; Y834-I837 HydrophobicContact CE1-CD1 4.21Å; Y834-I837 PolarHBondContact O-N 3.14Å; Y834-S838 VanDerWaalsContact O-CB 3.28Å; Y834-S838 WeakPolarHBondContact O-CB 3.26Å; Y834-S838 PolarHBondContact O-N 2.93Å; Y834-S838 PolarHBondContact O-OG 3.16Å
835	S	89.8	Confident	90.1	Very high	77 Å²	77	46.9 Å²	46.9	54%	0.538	26%	0.264	S	S	.	.	H	α-helix	trans	-64.8	-17.1	178.1	69.4	0	0	0	0	114.2	S831 W832 I833	S831-S835 PolarHBondContact O-N 2.02Å; W832-S835 PolarHBondContact O-OG 3.4Å; I833-S835 VanDerWaalsContact C-N 3.31Å; I833-S835 PolarHBondContact O-N 2.95Å
836	H	86.6	Confident	89.7	Confident	38 Å²	38	46.8 Å²	46.8	18%	0.176	27%	0.27	C	S	.	.	H	α-helix	trans	-103.5	-31.3	-179.8	-71.7	88.8	0	0	0	113.8	W638 L695 W832 I833 Y834	W638-H836 HydrophobicContact CH2-CB 4.39Å; W638-H836 WeakPolarHBondContact CZ2-O 3.34Å; L695-H836 HydrophobicContact CD1-CB 3.57Å; W832-H836 AromaticContact CD1-CE1 3.82Å; W832-H836 AromaticContact CE2-CE1 3.65Å; W832-H836 AromaticContact CE2-ND1 3.96Å; W832-H836 AromaticContact NE1-CE1 3.39Å; W832-H836 PolarHBondContact NE1-CE1 3.42Å; W832-H836 PolarHBondContact O-ND1 2.98Å; I833-H836 PolarHBondContact O-N 2.94Å; I833-H836 VanDerWaalsContact O-N 3.13Å; Y834-H836 PolarHBondContact O-N 2.8Å; Y834-H836 VanDerWaalsContact O-N 3.15Å
837	I	86.5	Confident	89.2	Confident	41 Å²	41	50.7 Å²	50.7	21%	0.21	29%	0.293	C	S	.	.	H	α-helix	trans	-93.7	-9.3	-176	70.7	173.9	0	0	0	113.7	W638 L695 L715 I833 Y834	W638-I837 HydrophobicContact CB-CG2 4Å; W638-I837 HydrophobicContact CD2-CB 4.4Å; W638-I837 HydrophobicContact CD2-CG2 3.65Å; W638-I837 HydrophobicContact CE3-CG2 4.08Å; W638-I837 HydrophobicContact CG-CB 4.17Å; W638-I837 HydrophobicContact CG-CG2 3.63Å; L695-I837 HydrophobicContact CD1-CG2 4.39Å; L715-I837 HydrophobicContact CD1-CD1 4.45Å; I833-I837 HydrophobicContact CG2-CD1 4.01Å; I833-I837 HydrophobicContact CG2-CG2 4.4Å; I833-I837 WeakPolarHBondContact O-CG1 3.22Å; I833-I837 PolarHBondContact O-N 3.32Å; Y834-I837 HydrophobicContact CD1-CD1 3.94Å; Y834-I837 HydrophobicContact CD1-CG1 4.19Å; Y834-I837 HydrophobicContact CE1-CD1 4.21Å; Y834-I837 PolarHBondContact O-N 3.14Å
838	S	66.3	Low	88.8	Confident	155 Å²	155	54 Å²	54	100%	1.084	31%	0.312	S	S	*	.			trans	-81.5	0	-178.5	49.7	0	0	0	0	114.8	Y834	Y834-S838 VanDerWaalsContact O-CB 3.28Å; Y834-S838 WeakPolarHBondContact O-CB 3.26Å; Y834-S838 PolarHBondContact O-N 2.93Å; Y834-S838 PolarHBondContact O-OG 3.16Å

Retrieved 838 of 838 residues in 234.4 ms (Link to these results)

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