A0A3Q0KMK2_SCHMA Loading...

Putative testis development protein nyd-sp29

AlphaFold DB , UniProt , Accession A0A3Q0KMK2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 926 aa.

						>A0A3Q0KMK2_SCHMA|A0A3Q0KMK2
MKSVNGKVTPVENTLRNKSARGSSKSRSGRKSGSSLGKPADKGGSRHSDAVDGSSLASIKESHKPLDIFIQNELMPNCTPIFLSKSSQKIFNIVTDEQITRESPIILLNKSDILKDLQLRAAVSDFSVQKVAIKNYPGSDILLIYDADYKFGQNFVIVLSEETKSLILNPVKQAVDGQSEHDSNGDMNDSINDDEDKIEEYKESSDLCFLFKSKSEHGWIELGSENEITEMNTFETRSKVYTIFQRPRKEFGSVLQLQDENATQKGFSEQILSREDESFNIPIMELDKSTTNCEIICDKGVNTNWRYPKNAFTQYVPRMYTSDELKHYYHENNDALRKISKLYPLFEQSLLENEMYNFLSNDYENLPIGDETYDTRSDNTFKEFLSFTDLKYSKNKAITMIQWHPNIKGIIATSISERIIYDQRIDQASRILLQPTHIILWSFNDPLKPQLLLNAPDDIICFQFNPTNSNYIAGGCVNGQVVLWDIEKHIDDLTNVKSRLKQNNQMPLFVFDENELNKISTSYYSALSNIESSHGLPITDLKWIPDHLEINRLGYCFENHTQKCVQLMTCGLNGEILLWDIRPEKTPLAINKTSDSLKPPINVPLTFSALDLKWKPLLRIHLYTNDPVNDHAPIKFCIREMQGDRSLLTSNTKDSSINTTDNSSKLLPLPNADTHIYAGTEDGAIIYVDWIPHKDQDTGKMQTPKPEFCSSRHDGPISHLCRSPFDSSLVLAIGGWIWTMWKEGVTSGPIIESGRANKPLTGGSWSPTRPSVFYTCRVDGSIEVWDLLDKTYEPTMIQSISANSLTAISIWDSPKRQFIATGDIQGVLQLFIVPRRLQTPLPSELKKFNEYIEREVKRKEFVSMRWNLREQEKIEQEAENKRKAGLAPAVMLSDEEIIQKEKLEYEKYLSEEHAFLRSLGLVEEED
					

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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	33.9	Very low	32.7	Very low	250 Å²	250	148.9 Å²	148.9	100%	1.232	85%	0.848	S	S	*	*				0	143.1	0	-79	179.5	175.8	0	0	108.7
2	K	33.3	Very low	32.4	Very low	202 Å²	202	151.3 Å²	151.3	88%	0.878	85%	0.846	S	S	*	*			trans	-60.3	148.4	-169.4	-77.4	175.3	172.3	176.5	0	114
3	S	33.1	Very low	32.4	Very low	106 Å²	106	151.1 Å²	151.1	74%	0.741	84%	0.843	S	S	*	*			trans	-31.9	131.2	165.4	54.9	0	0	0	0	115.8
4	V	35.9	Very low	32.3	Very low	144 Å²	144	149.5 Å²	149.5	87%	0.873	84%	0.839	S	S	*	*			trans	-106.7	117.9	163.4	176.4	0	0	0	0	108.6	G6	V4-G6 PolarHBondContact O-N 3.09Å
5	N	34.9	Very low	32.4	Very low	145 Å²	145	150.7 Å²	150.7	78%	0.775	84%	0.842	S	S	*	*			trans	-69.6	115.7	174.8	-77	-36.6	0	0	0	111
6	G	33.3	Very low	32.2	Very low	74 Å²	74	156.6 Å²	156.6	76%	0.763	85%	0.847	S	S	*	*			trans	-100.6	95	162.7	0	0	0	0	0	110.3	V4 V8	V4-G6 PolarHBondContact O-N 3.09Å; G6-V8 PolarHBondContact O-N 3.34Å
7	K	30.9	Very low	31.9	Very low	198 Å²	198	156.7 Å²	156.7	86%	0.861	85%	0.847	S	S	*	*			trans	-74.9	114.6	168.9	-79.5	-179.8	173.2	-179.6	0	108.8
8	V	30.4	Very low	31.9	Very low	143 Å²	143	159.7 Å²	159.7	87%	0.867	85%	0.851	S	S	*	*			trans	-100.7	112.2	169.1	-179.6	0	0	0	0	107.9	G6	G6-V8 PolarHBondContact O-N 3.34Å
9	T	31.3	Very low	31.7	Very low	120 Å²	120	157.4 Å²	157.4	74%	0.736	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-76.6	135	176.7	37.5	0	0	0	0	111.2
10	P	31.9	Very low	31.7	Very low	123 Å²	123	154.6 Å²	154.6	80%	0.799	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-77.1	136.7	-179.2	29.8	-31.7	0	0	0	111.9
11	V	30.5	Very low	31.5	Very low	133 Å²	133	159.2 Å²	159.2	81%	0.806	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-78.7	119.3	-179.6	175.8	0	0	0	0	110	N13	V11-N13 PolarHBondContact O-N 3.27Å
12	E	29.8	Very low	31.3	Very low	177 Å²	177	150.9 Å²	150.9	83%	0.827	83%	0.831	S	S	*	*			trans	-66.4	113.6	171.5	-72	178.7	147.1	0	0	110.7
13	N	32	Very low	30.9	Very low	149 Å²	149	147.3 Å²	147.3	80%	0.797	83%	0.831	S	S	*	*			trans	-93.5	99.8	171.1	-107.5	-15.3	0	0	0	109.9	V11 L15	V11-N13 PolarHBondContact O-N 3.27Å; N13-L15 PolarHBondContact O-N 3.43Å; N13-L15 VanDerWaalsContact O-N 3.12Å
14	T	31.2	Very low	30.8	Very low	129 Å²	129	148 Å²	148	79%	0.791	84%	0.836	S	S	*	*			trans	-69.7	95	172.5	48.7	0	0	0	0	111
15	L	33	Very low	30.4	Very low	168 Å²	168	151 Å²	151	88%	0.88	84%	0.837	S	S	*	*			trans	-87.6	108.3	168.2	-83.5	160	0	0	0	109.9	N13 N17	N13-L15 PolarHBondContact O-N 3.43Å; N13-L15 VanDerWaalsContact O-N 3.12Å; L15-N17 PolarHBondContact O-N 3.48Å
16	R	29.2	Very low	30	Very low	244 Å²	244	149.6 Å²	149.6	92%	0.921	84%	0.839	S	S	*	*			trans	-62.2	124.9	178	-99.4	173.7	165	173.8	-4.9	112	K18	R16-K18 PolarHBondContact O-N 3.37Å
17	N	27.7	Very low	29.7	Very low	159 Å²	159	158 Å²	158	85%	0.85	85%	0.848	S	S	*	*			trans	-48.5	121.1	162.6	-73.9	-34.4	0	0	0	112.4	L15	L15-N17 PolarHBondContact O-N 3.48Å
18	K	31.7	Very low	29.6	Very low	211 Å²	211	154.1 Å²	154.1	92%	0.917	85%	0.846	S	S	*	*			trans	-115.9	98.1	154.8	-84.4	-171.2	176.7	-179.7	0	108.8	R16 A20	R16-K18 PolarHBondContact O-N 3.37Å; K18-A20 PolarHBondContact O-N 3.22Å
19	S	28.4	Very low	29.4	Very low	115 Å²	115	150.9 Å²	150.9	80%	0.804	84%	0.841	S	S	*	*			trans	-67.8	115.6	168.1	51.8	0	0	0	0	110.4
20	A	32.6	Very low	29.2	Very low	102 Å²	102	155.9 Å²	155.9	84%	0.843	85%	0.846	S	S	*	*			trans	-108.9	106.3	160.4	0	0	0	0	0	108.2	K18 G22	K18-A20 PolarHBondContact O-N 3.22Å; A20-G22 PolarHBondContact O-N 2.95Å
21	R	27	Very low	29	Very low	252 Å²	252	158.3 Å²	158.3	95%	0.951	84%	0.844	S	S	*	*			trans	-67.5	117.1	172	-80.2	173.1	164.3	171.2	-5.5	109.1
22	G	29.3	Very low	28.8	Very low	74 Å²	74	157.9 Å²	157.9	76%	0.763	85%	0.847	S	S	*	*			trans	-129.7	92.3	164.9	0	0	0	0	0	109.1	A20	A20-G22 PolarHBondContact O-N 2.95Å
23	S	25.9	Very low	28.8	Very low	127 Å²	127	153.1 Å²	153.1	89%	0.888	85%	0.845	S	S	*	*			trans	-77.9	118	176.2	55.3	0	0	0	0	110.4
24	S	29.6	Very low	28.7	Very low	121 Å²	121	151.2 Å²	151.2	85%	0.846	84%	0.844	S	S	*	*			trans	-126.3	139.5	159.5	58.1	0	0	0	0	110.1
25	K	28.9	Very low	28.4	Very low	206 Å²	206	150.5 Å²	150.5	90%	0.896	84%	0.844	S	S	*	*			trans	-73.7	141.8	-156	-75.4	162.2	170.7	172.9	0	113.3
26	S	25.1	Very low	28.4	Very low	116 Å²	116	150.8 Å²	150.8	81%	0.811	85%	0.846	S	S	*	*			trans	-46.5	134	158.9	53.7	0	0	0	0	113.5
27	R	28.4	Very low	28.3	Very low	251 Å²	251	142.5 Å²	142.5	95%	0.947	84%	0.836	S	S	*	*			trans	-123.3	105	151.9	-135.1	176.9	-177.4	-178.5	-0.1	108.3
28	S	26.9	Very low	28.2	Very low	117 Å²	117	144.7 Å²	144.7	82%	0.818	84%	0.838	S	S	*	*			trans	-67.8	140.3	169.9	50.5	0	0	0	0	111.1
29	G	27.9	Very low	28	Very low	74 Å²	74	140.7 Å²	140.7	76%	0.763	83%	0.834	S	S	*	*			trans	176	87.7	169.6	0	0	0	0	0	116.9
30	R	26.6	Very low	27.9	Very low	225 Å²	225	139.8 Å²	139.8	85%	0.849	83%	0.833	S	S	*	*			trans	77.2	123.5	141.2	-87.6	-178.2	166.7	167.2	-2.6	122.1
31	K	27.8	Very low	27.8	Very low	174 Å²	174	142.6 Å²	142.6	76%	0.757	83%	0.834	S	S	*	*			trans	89.2	87.4	134.6	-71.6	-175.2	177	-170.4	0	118.3
32	S	26.5	Very low	27.9	Very low	124 Å²	124	139.9 Å²	139.9	87%	0.867	83%	0.829	S	S	*	*			trans	-44.2	120.1	141.4	51	0	0	0	0	113.2
33	G	29.5	Very low	27.5	Very low	77 Å²	77	140.5 Å²	140.5	79%	0.794	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-100.7	129.4	156.2	0	0	0	0	0	108.8
34	S	28.6	Very low	27.5	Very low	109 Å²	109	138.2 Å²	138.2	76%	0.762	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-72.3	141.7	-167.3	49.3	0	0	0	0	114.9
35	S	26.5	Very low	27.2	Very low	115 Å²	115	138.1 Å²	138.1	80%	0.804	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-50.8	129.5	158.2	50.9	0	0	0	0	113.4
36	L	32.4	Very low	27	Very low	173 Å²	173	139.7 Å²	139.7	91%	0.906	83%	0.832	S	S	*	*			trans	-109.6	122.2	158.2	-99.2	147	0	0	0	108.1
37	G	27.6	Very low	27	Very low	70 Å²	70	142.6 Å²	142.6	72%	0.722	83%	0.832	S	S	*	*			trans	-80.5	164.1	-173.4	0	0	0	0	0	114.3
38	K	24.8	Very low	26.7	Very low	206 Å²	206	135.3 Å²	135.3	90%	0.896	82%	0.819	S	S	*	*			trans	-48.3	156.1	168.5	-65.1	175.9	173	179	0	112.4
39	P	28.7	Very low	26.6	Very low	126 Å²	126	137.2 Å²	137.2	82%	0.818	82%	0.821	S	S	*	*				-135.7	145.4	99.2	28.4	-12.3	0	0	0	113.6
40	A	26	Very low	26.4	Very low	97 Å²	97	138.4 Å²	138.4	80%	0.802	82%	0.823	S	S	*	*			trans	-73.2	130	168.4	0	0	0	0	0	109.5
41	D	30.7	Very low	26.3	Very low	161 Å²	161	134.2 Å²	134.2	86%	0.861	82%	0.822	S	S	*	*			trans	-113.4	146.8	171.9	-133.3	-14.9	0	0	0	111.4
42	K	27.7	Very low	26.1	Very low	195 Å²	195	133.5 Å²	133.5	85%	0.848	83%	0.826	S	S	*	*			trans	-79.8	152.4	-156.8	-70.8	170	174.5	174	0	113
43	G	22.4	Very low	25.9	Very low	87 Å²	87	131.4 Å²	131.4	90%	0.897	82%	0.824	S	S	*	*			trans	-61.1	147.6	176.4	0	0	0	0	0	114.4
44	G	25	Very low	25.8	Very low	78 Å²	78	132.1 Å²	132.1	80%	0.804	82%	0.818	S	S	*	*			trans	-131	105	164.1	0	0	0	0	0	108.7
45	S	23	Very low	25.6	Very low	119 Å²	119	133 Å²	133	83%	0.832	82%	0.823	S	S	*	*			trans	-78.2	125	163.7	60.9	0	0	0	0	108.6
46	R	26	Very low	25.8	Very low	240 Å²	240	131.9 Å²	131.9	91%	0.906	81%	0.808	S	S	*	*			trans	-135.6	119	162.7	-84.1	-170.3	175.8	177.3	-1.4	110.8
47	H	23.3	Very low	25.9	Very low	176 Å²	176	127.9 Å²	127.9	82%	0.815	80%	0.8	S	S	*	*			trans	-4.6	135	160	-72.4	-79.4	0	0	0	120.2
48	S	22.4	Very low	26.1	Very low	98 Å²	98	129.6 Å²	129.6	69%	0.685	80%	0.801	S	S	*	*			trans	-36.9	137.1	148	51.5	0	0	0	0	114.4
49	D	26.3	Very low	26.7	Very low	158 Å²	158	124.1 Å²	124.1	85%	0.845	78%	0.78	S	S	*	*			trans	-141.5	112.7	143.6	-83.7	-36.6	0	0	0	107.4
50	A	21.9	Very low	26.9	Very low	99 Å²	99	126.9 Å²	126.9	82%	0.818	78%	0.78	S	S	*	*			trans	-78.7	121.8	170	0	0	0	0	0	107.8
51	V	25.8	Very low	27.3	Very low	137 Å²	137	131.8 Å²	131.8	83%	0.83	79%	0.786	S	S	*	*			trans	-111	109.3	171.1	179.5	0	0	0	0	107.4
52	D	23.2	Very low	27.8	Very low	158 Å²	158	128.4 Å²	128.4	85%	0.845	78%	0.775	S	S	*	*			trans	-69.4	136.5	169.9	-77.5	-40.8	0	0	0	111.1
53	G	23.1	Very low	28.9	Very low	80 Å²	80	125.3 Å²	125.3	83%	0.825	76%	0.763	S	S	*	*			trans	89.9	99.1	141.2	0	0	0	0	0	119
54	S	25.5	Very low	30.6	Very low	93 Å²	93	130.8 Å²	130.8	65%	0.65	76%	0.762	S	S	*	*			trans	-153.1	119.9	133.5	68.6	0	0	0	0	109.9	L56	S54-L56 PolarHBondContact O-N 3.43Å; S54-L56 VanDerWaalsContact O-N 3.12Å
55	S	26.4	Very low	32.5	Very low	126 Å²	126	129.8 Å²	129.8	88%	0.881	74%	0.742	S	S	*	*			trans	-62.1	102.9	180	49.8	0	0	0	0	112.1
56	L	29.9	Very low	34.8	Very low	93 Å²	93	127.3 Å²	127.3	49%	0.487	72%	0.719	S	S	.	*			trans	-75.1	119.4	165.8	-91.9	128.2	0	0	0	109	S54 S58 I106	S54-L56 PolarHBondContact O-N 3.43Å; S54-L56 VanDerWaalsContact O-N 3.12Å; L56-S58 PolarHBondContact O-N 3.28Å; L56-S58 VanDerWaalsContact O-N 3.07Å; L56-I106 HydrophobicContact CD2-CD1 3.88Å; L56-I106 HydrophobicContact CD2-CG1 4.25Å
57	A	33.2	Very low	36.9	Very low	88 Å²	88	120 Å²	120	73%	0.727	70%	0.698	S	S	*	*			trans	-68.3	104.4	173.9	0	0	0	0	0	109.2	I59	A57-I59 PolarHBondContact O-N 3.11Å
58	S	33	Very low	39.1	Very low	106 Å²	106	112.5 Å²	112.5	74%	0.741	66%	0.663	S	S	*	*			trans	-62.7	121.8	175.2	49.5	0	0	0	0	110.6	L56 K60	L56-S58 PolarHBondContact O-N 3.28Å; L56-S58 VanDerWaalsContact O-N 3.07Å; S58-K60 PolarHBondContact O-N 3.12Å
59	I	37.2	Very low	41.6	Very low	91 Å²	91	110 Å²	110	47%	0.467	64%	0.64	S	S	.	*			trans	-64.5	114	172.7	-61.2	170.2	0	0	0	107.3	A57 E61 I105 L107	A57-I59 PolarHBondContact O-N 3.11Å; I59-E61 PolarHBondContact O-N 3.39Å; I59-I105 HydrophobicContact CD1-CG2 4.41Å; I59-L107 HydrophobicContact CD1-CD1 4.22Å; I59-L107 HydrophobicContact CG1-CD1 4.13Å
60	K	32.7	Very low	43.7	Very low	185 Å²	185	108.6 Å²	108.6	80%	0.804	63%	0.631	S	S	*	*			trans	-64.5	131.1	177.4	-73.7	-177.8	174.7	-178	0	109.7	S58 S62	S58-K60 PolarHBondContact O-N 3.12Å; K60-S62 PolarHBondContact O-N 2.82Å
61	E	35.5	Very low	45.9	Very low	200 Å²	200	109.9 Å²	109.9	94%	0.935	62%	0.62	S	S	*	*	S	Bend	trans	-55.3	11.3	-169	-88.5	175.5	147.9	0	0	119	I59 H63	I59-E61 PolarHBondContact O-N 3.39Å; E61-H63 PolarHBondContact O-N 3.19Å
62	S	41.1	Very low	48	Very low	90 Å²	90	110.1 Å²	110.1	63%	0.629	62%	0.617	S	S	*	*	S	Bend	trans	-84.7	-11.1	-163	58.3	0	0	0	0	117	K60	K60-S62 PolarHBondContact O-N 2.82Å
63	H	49.2	Very low	50.5	Low	130 Å²	130	110.1 Å²	110.1	60%	0.602	61%	0.612	S	S	*	*	S	Bend	trans	-146.1	126.4	175.1	-67.6	-65.7	0	0	0	111.5	E61 P65	E61-H63 PolarHBondContact O-N 3.19Å; H63-P65 WeakPolarHBondContact O-CD 3.44Å
64	K	58.5	Low	53	Low	201 Å²	201	109 Å²	109	87%	0.874	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-64.3	119.7	170.2	-97.8	-175.7	177.4	-179.2	0	108.3
65	P	64.8	Low	55.5	Low	58 Å²	58	106.8 Å²	106.8	38%	0.377	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-64.1	154.5	179.9	24.5	-31.4	0	0	0	111.2	H63 D67 I105 I167	H63-P65 WeakPolarHBondContact O-CD 3.44Å; P65-D67 PolarHBondContact O-N 3.25Å; P65-I105 HydrophobicContact CB-CD1 3.47Å; P65-I105 VanDerWaalsContact CB-CD1 3.47Å; P65-I105 HydrophobicContact CG-CD1 3.42Å; P65-I105 VanDerWaalsContact CG-CD1 3.42Å; P65-I105 HydrophobicContact CG-CG1 4.48Å; P65-I167 CarbonylContact C-O 3.59Å; P65-I167 VanDerWaalsContact CA-O 3.23Å; P65-I167 WeakPolarHBondContact CA-O 3.45Å; P65-I167 WeakPolarHBondContact CB-O 3.43Å
66	L	71.8	Confident	57.9	Low	66 Å²	66	105.1 Å²	105.1	35%	0.346	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-61.9	124.9	177.4	-162.5	97.4	0	0	0	109.8	I68 I167 P170	L66-I68 PolarHBondContact O-N 3.12Å; L66-I68 VanDerWaalsContact O-N 3.16Å; L66-I167 PolarHBondContact N-O 3.05Å; L66-P170 HydrophobicContact CD1-CB 3.74Å; L66-P170 HydrophobicContact CD1-CG 4.4Å
67	D	70.1	Confident	60.4	Low	88 Å²	88	105.4 Å²	105.4	47%	0.471	56%	0.555	S	S	.	*			trans	-76.8	103.2	174.7	-175.3	-0.5	0	0	0	110.1	P65 F69 I70	P65-D67 PolarHBondContact O-N 3.25Å; D67-F69 PolarHBondContact O-N 3.3Å; D67-F69 WeakPolarHBondContact OD1-CB 3.29Å; D67-F69 PolarHBondContact OD1-N 2.99Å; D67-I70 HydrophobicContact CB-CD1 3.78Å; D67-I70 HydrophobicContact CB-CG1 3.94Å
68	I	70.1	Confident	62.9	Low	17 Å²	17	101.7 Å²	101.7	9%	0.087	52%	0.524	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-12.8	-179.8	59.1	157.1	0	0	0	113.1	L66 M75 I144 V156 I167	L66-I68 PolarHBondContact O-N 3.12Å; L66-I68 VanDerWaalsContact O-N 3.16Å; I68-M75 HydrophobicContact CG2-CG 4.49Å; I68-I144 HydrophobicContact CD1-CB 4.25Å; I68-I144 HydrophobicContact CD1-CD1 3.5Å; I68-I144 HydrophobicContact CD1-CG1 4.47Å; I68-I144 HydrophobicContact CD1-CG2 4.03Å; I68-I144 HydrophobicContact CG1-CD1 4.08Å; I68-I144 HydrophobicContact CG1-CG2 4.36Å; I68-V156 HydrophobicContact CD1-CB 4.43Å; I68-V156 HydrophobicContact CD1-CG1 4.33Å; I68-I167 HydrophobicContact CG2-CD1 3.89Å; I68-I167 HydrophobicContact CG2-CG1 3.97Å
69	F	74.4	Confident	65.5	Low	45 Å²	45	99 Å²	99	20%	0.197	50%	0.503	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-1.6	-177	-57.3	-71.2	0	0	0	113.1	D67 I144 Y145 D146 K150 F151	D67-F69 PolarHBondContact O-N 3.3Å; D67-F69 WeakPolarHBondContact OD1-CB 3.29Å; D67-F69 PolarHBondContact OD1-N 2.99Å; F69-I144 HydrophobicContact CE2-CG2 3.69Å; F69-I144 HydrophobicContact CZ-CG2 3.76Å; F69-Y145 WeakPolarHBondContact CZ-O 3.4Å; F69-D146 HydrophobicContact CE1-CB 3.81Å; F69-D146 HydrophobicContact CZ-CB 3.93Å; F69-K150 HydrophobicContact CB-CD 4.36Å; F69-K150 HydrophobicContact CD1-CB 4.37Å; F69-K150 HydrophobicContact CD1-CD 4.31Å; F69-K150 PolarHBondContact O-NZ 3.49Å; F69-F151 HydrophobicContact CD1-CD2 4.22Å; F69-F151 AromaticContact CD1-CE2 3.68Å; F69-F151 HydrophobicContact CD1-CE2 3.68Å; F69-F151 HydrophobicContact CE1-CD2 4.04Å; F69-F151 AromaticContact CE1-CE2 3.87Å; F69-F151 HydrophobicContact CE1-CE2 3.87Å
70	I	70.5	Confident	68	Low	129 Å²	129	96.9 Å²	96.9	66%	0.662	50%	0.495	S	S	*	.	S	Bend	trans	-70.6	-41.6	175.5	-60.5	175.1	0	0	0	110.8	D67	D67-I70 HydrophobicContact CB-CD1 3.78Å; D67-I70 HydrophobicContact CB-CG1 3.94Å
71	Q	67.1	Low	70.8	Confident	126 Å²	126	88.3 Å²	88.3	59%	0.589	46%	0.458	S	S	*	.	S	Bend	trans	-85.3	152.4	178.2	-66.2	-178.3	-4.6	0	0	111	E73 K150	Q71-E73 VanDerWaalsContact C-N 3.33Å; Q71-K150 PolarHBondContact O-NZ 3.07Å
72	N	70.2	Confident	73.5	Confident	142 Å²	142	83.5 Å²	83.5	76%	0.759	43%	0.434	S	S	*	.	S	Bend	trans	-84.4	-8.5	178.3	-74	-14.1	0	0	0	113.3	K150	N72-K150 PolarHBondContact OD1-NZ 2.92Å; N72-K150 VanDerWaalsContact OD1-NZ 3.1Å
73	E	76.1	Confident	75.8	Confident	158 Å²	158	79.2 Å²	79.2	74%	0.738	40%	0.404	S	S	*	.	S	Bend	trans	-110.2	139.4	176.8	-66.9	-174.9	165.3	0	0	110.6	Q71	Q71-E73 VanDerWaalsContact C-N 3.33Å
74	L	76.6	Confident	77.7	Confident	57 Å²	57	74.4 Å²	74.4	30%	0.298	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-69	139.9	173	-88	104.4	0	0	0	110.6	C78 F151 V156	L74-C78 HydrophobicContact CB-CB 4.49Å; L74-C78 HydrophobicContact CD2-CB 3.68Å; L74-C78 WeakPolarHBondContact CD2-O 3.26Å; L74-F151 HydrophobicContact CD1-CB 3.81Å; L74-F151 HydrophobicContact CD1-CD1 3.13Å; L74-F151 HydrophobicContact CD1-CD2 3.97Å; L74-F151 HydrophobicContact CD1-CE1 3.52Å; L74-F151 HydrophobicContact CD1-CE2 4.3Å; L74-F151 HydrophobicContact CD1-CG 3.35Å; L74-F151 HydrophobicContact CD1-CZ 4.09Å; L74-F151 HydrophobicContact CG-CD1 3.96Å; L74-F151 HydrophobicContact CG-CD2 4.11Å; L74-F151 HydrophobicContact CG-CE1 3.95Å; L74-F151 HydrophobicContact CG-CE2 4.11Å; L74-F151 HydrophobicContact CG-CG 4Å; L74-F151 HydrophobicContact CG-CZ 4.02Å; L74-V156 HydrophobicContact CD2-CG1 3.69Å; L74-V156 HydrophobicContact CD2-CG2 4.4Å
75	M	78.3	Confident	79.1	Confident	47 Å²	47	72.4 Å²	72.4	23%	0.232	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-56.1	151.8	169.1	-71.8	-72.3	-73.9	0	0	112.1	I68 N77 C78 T163 L166	I68-M75 HydrophobicContact CG2-CG 4.49Å; M75-N77 PolarHBondContact O-N 3.24Å; M75-C78 WeakPolarHBondContact O-CB 3.4Å; M75-C78 PolarHBondContact O-N 3.49Å; M75-C78 VanDerWaalsContact O-N 3.13Å; M75-T163 HydrophobicContact CB-CG2 4.21Å; M75-L166 HydrophobicContact CE-CD2 3.62Å
76	P	76.1	Confident	80.1	Confident	90 Å²	90	73.6 Å²	73.6	58%	0.584	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	136.4	176.3	-22.1	31.2	0	0	0	112.2	C78 T163	P76-C78 PolarHBondContact O-N 3.38Å; P76-T163 WeakPolarHBondContact O-CG2 3.37Å; P76-T163 PolarHBondContact O-OG1 3.3Å
77	N	81.7	Confident	80.8	Confident	99 Å²	99	70.5 Å²	70.5	53%	0.529	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.1	13.8	-177.7	-54	-52.3	0	0	0	115.9	M75 L159	M75-N77 PolarHBondContact O-N 3.24Å; N77-L159 PolarHBondContact O-N 3.28Å
78	C	85.8	Confident	81.7	Confident	11 Å²	11	66.6 Å²	66.6	7%	0.074	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	132.3	163.9	-63.1	0	0	0	0	109	L74 M75 P76 V156	L74-C78 HydrophobicContact CB-CB 4.49Å; L74-C78 HydrophobicContact CD2-CB 3.68Å; L74-C78 WeakPolarHBondContact CD2-O 3.26Å; M75-C78 WeakPolarHBondContact O-CB 3.4Å; M75-C78 PolarHBondContact O-N 3.49Å; M75-C78 VanDerWaalsContact O-N 3.13Å; P76-C78 PolarHBondContact O-N 3.38Å; C78-V156 HydrophobicContact CB-CG1 3.8Å
79	T	86.8	Confident	82.5	Confident	49 Å²	49	73.1 Å²	73.1	30%	0.301	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	136.5	178.4	49.9	0	0	0	0	110.8	V156 I157	T79-V156 WeakPolarHBondContact O-CA 2.94Å; T79-I157 PolarHBondContact N-O 3.44Å; T79-I157 WeakPolarHBondContact O-CG2 2.78Å; T79-I157 PolarHBondContact O-N 3.27Å; T79-I157 WeakPolarHBondContact OG1-CG2 3.07Å
80	P	90.3	Very high	83.1	Confident	46 Å²	46	75.4 Å²	75.4	30%	0.299	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	136.9	173.9	29.1	-33	0	0	0	110.4	F151 Q153 F155	P80-F151 HydrophobicContact CB-CB 4.11Å; P80-F151 WeakPolarHBondContact CB-O 3.44Å; P80-F151 HydrophobicContact CG-CB 4.49Å; P80-Q153 HydrophobicContact CB-CB 3.9Å; P80-Q153 HydrophobicContact CB-CG 3.84Å; P80-F155 CarbonylContact C-O 3.43Å; P80-F155 WeakPolarHBondContact CA-O 3.48Å
81	I	91.7	Very high	83.9	Confident	5 Å²	5	70.5 Å²	70.5	3%	0.026	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	137.8	-179.3	-168.3	176.1	0	0	0	110.4	L83 F126 Q153 N154 F155 I157	I81-L83 HydrophobicContact CD1-CD2 4.34Å; I81-F126 HydrophobicContact CD1-CD1 3.81Å; I81-F126 HydrophobicContact CD1-CE1 4.2Å; I81-Q153 VanDerWaalsContact C-CB 3.5Å; I81-Q153 WeakPolarHBondContact O-CB 3.17Å; I81-N154 PolarHBondContact O-OD1 2.92Å; I81-F155 HydrophobicContact CG2-CB 3.93Å; I81-F155 PolarHBondContact N-O 3.39Å; I81-F155 PolarHBondContact O-N 3.39Å; I81-F155 VanDerWaalsContact O-N 3.16Å; I81-F155 VanDerWaalsContact O-O 3.08Å; I81-I157 HydrophobicContact CB-CG2 4.24Å; I81-I157 HydrophobicContact CG2-CB 4.03Å; I81-I157 HydrophobicContact CG2-CG2 4.11Å
82	F	91.6	Very high	84.8	Confident	100 Å²	100	67.9 Å²	67.9	44%	0.439	35%	0.354	S	S	.	.			trans	-87	126.9	172.5	-171.7	-108.3	0	0	0	110.6	D125 Q153 N154	F82-D125 WeakPolarHBondContact O-CB 3.49Å; F82-Q153 VanDerWaalsContact CB-OE1 3.28Å; F82-N154 VanDerWaalsContact CA-OD1 3.25Å; F82-N154 WeakPolarHBondContact CA-OD1 3.29Å
83	L	90.6	Very high	85.6	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.317	C	S	.	.			trans	-114.9	118	167	-62.3	-176.7	0	0	0	110.6	I81 Q88 I93 D125 F126 L143 N154 F155	I81-L83 HydrophobicContact CD1-CD2 4.34Å; L83-Q88 HydrophobicContact CB-CG 4.12Å; L83-Q88 PolarHBondContact O-NE2 3.38Å; L83-I93 HydrophobicContact CD1-CD1 3.62Å; L83-D125 HydrophobicContact CD2-CB 3.78Å; L83-F126 HydrophobicContact CD1-CE1 4.44Å; L83-F126 HydrophobicContact CD1-CE2 4.48Å; L83-F126 HydrophobicContact CD1-CZ 3.84Å; L83-F126 HydrophobicContact CD2-CD1 4.39Å; L83-F126 HydrophobicContact CD2-CD2 4.27Å; L83-F126 HydrophobicContact CD2-CE1 3.96Å; L83-F126 HydrophobicContact CD2-CE2 3.8Å; L83-F126 HydrophobicContact CD2-CZ 3.65Å; L83-F126 HydrophobicContact CG-CZ 4.42Å; L83-L143 HydrophobicContact CD1-CD2 3.45Å; L83-L143 VanDerWaalsContact CD1-CD2 3.45Å; L83-N154 PolarHBondContact N-OD1 3.12Å; L83-N154 PolarHBondContact O-ND2 2.94Å; L83-F155 HydrophobicContact CB-CD2 3.83Å; L83-F155 HydrophobicContact CB-CE2 3.98Å; L83-F155 HydrophobicContact CD1-CD2 3.84Å; L83-F155 HydrophobicContact CD1-CE2 4.14Å; L83-F155 HydrophobicContact CD1-CG 4.27Å; L83-F155 HydrophobicContact CG-CD2 3.91Å; L83-F155 HydrophobicContact CG-CE2 4.42Å
84	S	89.7	Confident	86.1	Confident	29 Å²	29	54.6 Å²	54.6	20%	0.203	29%	0.288	C	S	.	.			trans	-66.2	156.9	175.4	67.5	0	0	0	0	111.5	S86 S87 Q88 D125	S84-S86 PolarHBondContact O-N 3.36Å; S84-S86 VanDerWaalsContact O-N 3.09Å; S84-S87 PolarHBondContact O-N 2.91Å; S84-S87 PolarHBondContact OG-N 3.23Å; S84-S87 PolarHBondContact OG-OG 3.01Å; S84-Q88 WeakPolarHBondContact O-CG 3.46Å; S84-Q88 PolarHBondContact O-N 3.06Å; S84-D125 VanDerWaalsContact CB-OD2 3.26Å; S84-D125 WeakPolarHBondContact CB-OD2 3.45Å; S84-D125 PolarHBondContact N-OD2 3.08Å; S84-D125 PolarHBondContact OG-OD2 2.91Å
85	K	86.7	Confident	86.4	Confident	159 Å²	159	53.2 Å²	53.2	69%	0.691	28%	0.282	S	S	*	.	H	α-helix	trans	-54.2	-31.9	175.4	-70	-167.7	176.2	-169.9	0	112.8	K89	K85-K89 WeakPolarHBondContact O-CG 3.47Å; K85-K89 PolarHBondContact O-N 3.46Å; K85-K89 VanDerWaalsContact O-N 3.11Å
86	S	85.1	Confident	86.3	Confident	83 Å²	83	56.7 Å²	56.7	58%	0.58	30%	0.302	S	S	*	.	H	α-helix	trans	-66.1	-45.6	176	-57.9	0	0	0	0	111.6	S84 I90	S84-S86 PolarHBondContact O-N 3.36Å; S84-S86 VanDerWaalsContact O-N 3.09Å; S86-I90 WeakPolarHBondContact O-CG1 3.34Å; S86-I90 PolarHBondContact O-N 3.32Å
87	S	87.9	Confident	86.6	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-69.6	-38.4	175.9	-62.3	0	0	0	0	112.1	S84 K89 I90 F91 R120 D125	S84-S87 PolarHBondContact O-N 2.91Å; S84-S87 PolarHBondContact OG-N 3.23Å; S84-S87 PolarHBondContact OG-OG 3.01Å; S87-K89 VanDerWaalsContact C-N 3.29Å; S87-K89 PolarHBondContact O-N 3.08Å; S87-I90 WeakPolarHBondContact O-CB 3.25Å; S87-I90 PolarHBondContact O-N 2.87Å; S87-I90 VanDerWaalsContact O-N 3.11Å; S87-F91 WeakPolarHBondContact O-CD2 3.36Å; S87-F91 PolarHBondContact O-N 3.15Å; S87-R120 PolarHBondContact OG-NH1 3.46Å; S87-R120 PolarHBondContact OG-NH2 2.75Å; S87-D125 WeakPolarHBondContact CB-OD2 3.42Å; S87-D125 PolarHBondContact OG-OD2 2.95Å
88	Q	89.2	Confident	86.4	Confident	6 Å²	6	57.7 Å²	57.7	3%	0.028	30%	0.295	C	S	.	.	H	α-helix	trans	-58.6	-41.4	176.2	-69.7	175.1	19.2	0	0	112	L83 S84 I90 F91 N92 I93 V94 N154 F155	L83-Q88 HydrophobicContact CB-CG 4.12Å; L83-Q88 PolarHBondContact O-NE2 3.38Å; S84-Q88 WeakPolarHBondContact O-CG 3.46Å; S84-Q88 PolarHBondContact O-N 3.06Å; Q88-I90 PolarHBondContact O-N 3.11Å; Q88-F91 PolarHBondContact O-N 3Å; Q88-N92 PolarHBondContact O-N 3.25Å; Q88-I93 HydrophobicContact CB-CG1 4.21Å; Q88-I93 HydrophobicContact CG-CG1 4.38Å; Q88-I93 PolarHBondContact O-N 2.97Å; Q88-V94 HydrophobicContact CB-CG2 4.45Å; Q88-N154 PolarHBondContact NE2-ND2 2.85Å; Q88-F155 HydrophobicContact CG-CE2 4.24Å
89	K	86.6	Confident	86.2	Confident	155 Å²	155	57.3 Å²	57.3	67%	0.674	29%	0.293	S	S	*	.	H	α-helix	trans	-65.3	-35.8	175.3	-75.6	-178.5	178.5	-169.1	0	113.4	K85 S87 F91 N92 V94	K85-K89 WeakPolarHBondContact O-CG 3.47Å; K85-K89 PolarHBondContact O-N 3.46Å; K85-K89 VanDerWaalsContact O-N 3.11Å; S87-K89 VanDerWaalsContact C-N 3.29Å; S87-K89 PolarHBondContact O-N 3.08Å; K89-F91 VanDerWaalsContact C-N 3.33Å; K89-F91 PolarHBondContact O-N 3.48Å; K89-N92 PolarHBondContact O-N 3.39Å; K89-V94 HydrophobicContact CG-CG2 3.9Å
90	I	87.2	Confident	86	Confident	92 Å²	92	57 Å²	57	47%	0.472	29%	0.291	S	S	.	.	H	α-helix	trans	-64.2	-40.2	179.2	-69.2	165.3	0	0	0	111	S86 S87 Q88 R120	S86-I90 WeakPolarHBondContact O-CG1 3.34Å; S86-I90 PolarHBondContact O-N 3.32Å; S87-I90 WeakPolarHBondContact O-CB 3.25Å; S87-I90 PolarHBondContact O-N 2.87Å; S87-I90 VanDerWaalsContact O-N 3.11Å; Q88-I90 PolarHBondContact O-N 3.11Å; I90-R120 VanDerWaalsContact CD1-CZ 3.44Å
91	F	87.5	Confident	85.4	Confident	27 Å²	27	62.9 Å²	62.9	12%	0.118	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	4.9	-179.7	-67.4	-81.1	0	0	0	113.7	S87 Q88 K89 I93 L108 D112 I113 D116 F126	S87-F91 WeakPolarHBondContact O-CD2 3.36Å; S87-F91 PolarHBondContact O-N 3.15Å; Q88-F91 PolarHBondContact O-N 3Å; K89-F91 VanDerWaalsContact C-N 3.33Å; K89-F91 PolarHBondContact O-N 3.48Å; F91-I93 VanDerWaalsContact C-N 3.33Å; F91-I93 HydrophobicContact CB-CD1 3.96Å; F91-I93 HydrophobicContact CB-CG1 3.97Å; F91-I93 HydrophobicContact CB-CG2 4.4Å; F91-I93 WeakPolarHBondContact O-CG2 3.36Å; F91-I93 PolarHBondContact O-N 3.45Å; F91-L108 HydrophobicContact CB-CD2 4.11Å; F91-L108 HydrophobicContact CD1-CD1 4.46Å; F91-L108 HydrophobicContact CD1-CD2 4.32Å; F91-L108 HydrophobicContact CG-CD1 4.49Å; F91-D112 HydrophobicContact CE1-CB 4.17Å; F91-I113 HydrophobicContact CE1-CG1 3.88Å; F91-I113 HydrophobicContact CZ-CG1 4.14Å; F91-D116 HydrophobicContact CE2-CB 4.15Å; F91-D116 HydrophobicContact CZ-CB 3.61Å; F91-F126 AromaticContact CD2-CE2 3.78Å; F91-F126 HydrophobicContact CD2-CE2 3.78Å; F91-F126 AromaticContact CE2-CD2 3.91Å; F91-F126 HydrophobicContact CE2-CD2 3.91Å; F91-F126 AromaticContact CE2-CE2 3.42Å; F91-F126 HydrophobicContact CE2-CE2 3.42Å; F91-F126 VanDerWaalsContact CE2-CE2 3.42Å; F91-F126 HydrophobicContact CE2-CZ 4.49Å; F91-F126 HydrophobicContact CZ-CD2 4.26Å; F91-F126 AromaticContact CZ-CE2 3.94Å; F91-F126 HydrophobicContact CZ-CE2 3.94Å
92	N	85.6	Confident	84.5	Confident	71 Å²	71	71.8 Å²	71.8	38%	0.38	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	42.7	-178	-151.8	23.7	0	0	0	113.9	Q88 K89	Q88-N92 PolarHBondContact O-N 3.25Å; K89-N92 PolarHBondContact O-N 3.39Å
93	I	86.3	Confident	83.9	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	35%	0.35	C	S	.	.			trans	-123	43	-177.2	60.1	177.5	0	0	0	111.8	L83 Q88 F91 T95 I106 L108 L143	L83-I93 HydrophobicContact CD1-CD1 3.62Å; Q88-I93 HydrophobicContact CB-CG1 4.21Å; Q88-I93 HydrophobicContact CG-CG1 4.38Å; Q88-I93 PolarHBondContact O-N 2.97Å; F91-I93 VanDerWaalsContact C-N 3.33Å; F91-I93 HydrophobicContact CB-CD1 3.96Å; F91-I93 HydrophobicContact CB-CG1 3.97Å; F91-I93 HydrophobicContact CB-CG2 4.4Å; F91-I93 WeakPolarHBondContact O-CG2 3.36Å; F91-I93 PolarHBondContact O-N 3.45Å; I93-T95 PolarHBondContact O-N 3.15Å; I93-I106 HydrophobicContact CG2-CD1 3.49Å; I93-I106 VanDerWaalsContact CG2-CD1 3.49Å; I93-I106 HydrophobicContact CG2-CG1 4.25Å; I93-I106 HydrophobicContact CG2-CG2 4.26Å; I93-L108 HydrophobicContact CD1-CD1 4.11Å; I93-L108 HydrophobicContact CG2-CD2 4.07Å; I93-L143 HydrophobicContact CD1-CD2 4.2Å
94	V	87.2	Confident	83.6	Confident	21 Å²	21	71.8 Å²	71.8	13%	0.127	36%	0.36	C	S	.	.			trans	-66.8	125	179.2	-170.8	0	0	0	0	109	Q88 K89 E97 Q98 I99	Q88-V94 HydrophobicContact CB-CG2 4.45Å; K89-V94 HydrophobicContact CG-CG2 3.9Å; V94-E97 HydrophobicContact CB-CB 4.32Å; V94-E97 HydrophobicContact CG1-CG 4.47Å; V94-E97 PolarHBondContact O-N 3.11Å; V94-Q98 VanDerWaalsContact CA-OE1 3.3Å; V94-Q98 PolarHBondContact O-N 3.07Å; V94-Q98 VanDerWaalsContact O-N 3.1Å; V94-Q98 PolarHBondContact O-OE1 2.96Å; V94-I99 PolarHBondContact O-N 3.43Å
95	T	81.8	Confident	83.4	Confident	27 Å²	27	72 Å²	72	17%	0.166	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-59.1	138.4	176.8	56.1	0	0	0	0	110.3	I93 E97 I99 Y145 F155	I93-T95 PolarHBondContact O-N 3.15Å; T95-E97 PolarHBondContact O-N 3.05Å; T95-I99 HydrophobicContact CG2-CG2 4.36Å; T95-Y145 HydrophobicContact CG2-CD2 3.81Å; T95-Y145 HydrophobicContact CG2-CE2 3.32Å; T95-F155 HydrophobicContact CG2-CE2 3.97Å; T95-F155 HydrophobicContact CG2-CZ 3.64Å
96	D	76.8	Confident	83.5	Confident	120 Å²	120	65.3 Å²	65.3	64%	0.642	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	3.7	-177.1	-50	-46.3	0	0	0	115.5	I99	D96-I99 PolarHBondContact N-O 3.06Å
97	E	82.2	Confident	83.7	Confident	135 Å²	135	63.7 Å²	63.7	63%	0.631	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.5	-70.5	172	-68.5	-176.9	-173.7	0	0	111.5	V94 T95	V94-E97 HydrophobicContact CB-CB 4.32Å; V94-E97 HydrophobicContact CG1-CG 4.47Å; V94-E97 PolarHBondContact O-N 3.11Å; T95-E97 PolarHBondContact O-N 3.05Å
98	Q	78	Confident	83.8	Confident	76 Å²	76	64.2 Å²	64.2	36%	0.355	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-26.4	-178.9	-59	81.4	27.6	0	0	112.2	V94	V94-Q98 VanDerWaalsContact CA-OE1 3.3Å; V94-Q98 PolarHBondContact O-N 3.07Å; V94-Q98 VanDerWaalsContact O-N 3.1Å; V94-Q98 PolarHBondContact O-OE1 2.96Å
99	I	82	Confident	83.9	Confident	3 Å²	3	67.1 Å²	67.1	2%	0.015	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-122.4	124.6	174.3	-156	158.6	0	0	0	109.5	V94 T95 D96 S103 P104 I106 Y145 F155	V94-I99 PolarHBondContact O-N 3.43Å; T95-I99 HydrophobicContact CG2-CG2 4.36Å; D96-I99 PolarHBondContact N-O 3.06Å; I99-S103 WeakPolarHBondContact CG1-O 3.35Å; I99-P104 WeakPolarHBondContact CD1-O 3.37Å; I99-I106 HydrophobicContact CD1-CB 3.8Å; I99-I106 HydrophobicContact CD1-CG2 3.61Å; I99-Y145 HydrophobicContact CG1-CG 4.48Å; I99-Y145 HydrophobicContact CG2-CD1 4.4Å; I99-Y145 HydrophobicContact CG2-CG 4.18Å; I99-F155 HydrophobicContact CD1-CE1 4.19Å; I99-F155 HydrophobicContact CG2-CE1 4.08Å; I99-F155 HydrophobicContact CG2-CZ 4.16Å
100	T	82	Confident	84	Confident	43 Å²	43	61.6 Å²	61.6	26%	0.264	31%	0.309	S	S	.	.			trans	-124.7	169.2	-172.8	66.4	0	0	0	0	109.9	E102 S103 P104	T100-E102 PolarHBondContact O-N 3.24Å; T100-E102 PolarHBondContact OG1-N 3.29Å; T100-S103 CarbonylContact O-C 3.52Å; T100-S103 PolarHBondContact O-N 3.41Å; T100-S103 PolarHBondContact OG1-N 3.27Å; T100-S103 PolarHBondContact OG1-OG 3.28Å; T100-S103 VanDerWaalsContact OG1-OG 3.09Å; T100-P104 WeakPolarHBondContact O-CA 3.39Å
101	R	78	Confident	84	Confident	169 Å²	169	59.7 Å²	59.7	64%	0.638	30%	0.304	S	S	*	.	S	Bend	trans	-60.8	-30.6	175	-163.3	179.2	-168.7	-173.3	7.5	112.7	A147 D148	R101-A147 HydrophobicContact CB-CB 4.47Å; R101-A147 HydrophobicContact CG-CB 4.21Å; R101-D148 IonicContact CZ-OD1 2.65Å; R101-D148 IonicContact CZ-OD2 2.83Å; R101-D148 IonicContact NE-OD2 2.68Å; R101-D148 IonicContact NH2-OD1 3.38Å; R101-D148 PolarHBondContact NH2-OD1 2.86Å; R101-D148 IonicContact NH2-OD2 2.98Å; R101-D148 PolarHBondContact NH2-OD2 2.85Å
102	E	72.9	Confident	84.2	Confident	192 Å²	192	61.7 Å²	61.7	90%	0.897	32%	0.316	S	S	*	.	S	Bend	trans	-80.3	-28.3	-178.8	-63	-178.5	176.5	0	0	112.4	T100	T100-E102 PolarHBondContact O-N 3.24Å; T100-E102 PolarHBondContact OG1-N 3.29Å
103	S	78.9	Confident	84.3	Confident	67 Å²	67	58.3 Å²	58.3	47%	0.469	30%	0.298	S	S	.	.	S	Bend	trans	-128.6	72.7	175.2	64.4	0	0	0	0	110.6	I99 T100 I105	I99-S103 WeakPolarHBondContact CG1-O 3.35Å; T100-S103 CarbonylContact O-C 3.52Å; T100-S103 PolarHBondContact O-N 3.41Å; T100-S103 PolarHBondContact OG1-N 3.27Å; T100-S103 PolarHBondContact OG1-OG 3.28Å; T100-S103 VanDerWaalsContact OG1-OG 3.09Å; S103-I105 VanDerWaalsContact C-N 3.28Å; S103-I105 PolarHBondContact O-N 3.1Å
104	P	83.5	Confident	84.5	Confident	33 Å²	33	60.8 Å²	60.8	21%	0.214	31%	0.311	C	S	.	.			trans	-80.7	-1.4	-169.4	31.1	-35.1	0	0	0	114	I99 T100 I144 Y145	I99-P104 WeakPolarHBondContact CD1-O 3.37Å; T100-P104 WeakPolarHBondContact O-CA 3.39Å; P104-I144 HydrophobicContact CB-CG2 4.47Å; P104-I144 CarbonylContact O-C 3.55Å; P104-I144 WeakPolarHBondContact O-CA 3.29Å; P104-Y145 PolarHBondContact O-N 2.79Å
105	I	86.3	Confident	84.6	Confident	33 Å²	33	65 Å²	65	17%	0.169	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	132.9	-169.3	-56.1	-167.2	0	0	0	111.2	I59 P65 S103 L142 I144 I167 L168	I59-I105 HydrophobicContact CD1-CG2 4.41Å; P65-I105 HydrophobicContact CB-CD1 3.47Å; P65-I105 VanDerWaalsContact CB-CD1 3.47Å; P65-I105 HydrophobicContact CG-CD1 3.42Å; P65-I105 VanDerWaalsContact CG-CD1 3.42Å; P65-I105 HydrophobicContact CG-CG1 4.48Å; S103-I105 VanDerWaalsContact C-N 3.28Å; S103-I105 PolarHBondContact O-N 3.1Å; I105-L142 HydrophobicContact CG2-CD1 3.25Å; I105-L142 HydrophobicContact CG2-CD2 4.42Å; I105-L142 HydrophobicContact CG2-CG 4.03Å; I105-I144 HydrophobicContact CG1-CG1 4.34Å; I105-I144 HydrophobicContact CG1-CG2 4.44Å; I105-I167 HydrophobicContact CD1-CG2 4.4Å; I105-L168 HydrophobicContact CG2-CD2 4.42Å
106	I	88.3	Confident	84.9	Confident	18 Å²	18	64.3 Å²	64.3	9%	0.092	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	147.5	175	-163.5	147.1	0	0	0	111.9	L56 I93 I99 L143	L56-I106 HydrophobicContact CD2-CD1 3.88Å; L56-I106 HydrophobicContact CD2-CG1 4.25Å; I93-I106 HydrophobicContact CG2-CD1 3.49Å; I93-I106 VanDerWaalsContact CG2-CD1 3.49Å; I93-I106 HydrophobicContact CG2-CG1 4.25Å; I93-I106 HydrophobicContact CG2-CG2 4.26Å; I99-I106 HydrophobicContact CD1-CB 3.8Å; I99-I106 HydrophobicContact CD1-CG2 3.61Å; I106-L143 HydrophobicContact CG2-CB 3.7Å; I106-L143 PolarHBondContact N-O 3.48Å; I106-L143 PolarHBondContact O-N 2.83Å
107	L	89.9	Confident	85.5	Confident	50 Å²	50	58.8 Å²	58.8	26%	0.262	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	122.9	175.6	-77.5	160.4	0	0	0	109.2	I59 D140 L142 K164	I59-L107 HydrophobicContact CD1-CD1 4.22Å; I59-L107 HydrophobicContact CG1-CD1 4.13Å; L107-D140 HydrophobicContact CB-CB 4.4Å; L107-D140 HydrophobicContact CD2-CB 4Å; L107-L142 HydrophobicContact CD2-CB 4.26Å; L107-L142 HydrophobicContact CD2-CD1 3.74Å; L107-L142 HydrophobicContact CG-CD1 3.92Å; L107-K164 HydrophobicContact CD2-CD 4.13Å
108	L	89.8	Confident	85.7	Confident	11 Å²	11	60 Å²	60	6%	0.058	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	133.9	175.9	-65.6	179.7	0	0	0	110.3	F91 I93 K110 I113 F126 D140 I141 L143	F91-L108 HydrophobicContact CB-CD2 4.11Å; F91-L108 HydrophobicContact CD1-CD1 4.46Å; F91-L108 HydrophobicContact CD1-CD2 4.32Å; F91-L108 HydrophobicContact CG-CD1 4.49Å; I93-L108 HydrophobicContact CD1-CD1 4.11Å; I93-L108 HydrophobicContact CG2-CD2 4.07Å; L108-K110 PolarHBondContact O-N 2.82Å; L108-I113 HydrophobicContact CB-CD1 3.92Å; L108-I113 HydrophobicContact CB-CG1 4.46Å; L108-I113 HydrophobicContact CD1-CD1 4.32Å; L108-F126 HydrophobicContact CD1-CZ 4.01Å; L108-D140 WeakPolarHBondContact O-CA 3.46Å; L108-I141 PolarHBondContact N-O 2.99Å; L108-I141 PolarHBondContact O-N 3.11Å; L108-L143 HydrophobicContact CD1-CD1 4.22Å
109	N	90.9	Very high	86.1	Confident	67 Å²	67	63.7 Å²	63.7	36%	0.358	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	123.7	176.6	-166.7	-44.5	0	0	0	110	S111 D112 I113	N109-S111 PolarHBondContact O-N 2.97Å; N109-S111 VanDerWaalsContact O-N 3.16Å; N109-S111 WeakPolarHBondContact OD1-CB 3.28Å; N109-S111 PolarHBondContact OD1-N 3.17Å; N109-S111 PolarHBondContact OD1-OG 3.01Å; N109-D112 PolarHBondContact O-N 3.32Å; N109-I113 PolarHBondContact O-N 3.25Å
110	K	89.1	Confident	86.4	Confident	38 Å²	38	65.9 Å²	65.9	17%	0.165	33%	0.328	C	S	.	.	H	α-helix	trans	-54.2	-36	179.1	176.8	-177.7	168.5	177	0	111.6	L108 D112 I113 L114 I133 K134 Y136 G138 S139 I141	L108-K110 PolarHBondContact O-N 2.82Å; K110-D112 VanDerWaalsContact C-N 3.3Å; K110-D112 PolarHBondContact O-N 3.45Å; K110-I113 PolarHBondContact O-N 3.46Å; K110-L114 HydrophobicContact CG-CD1 4.1Å; K110-L114 HydrophobicContact CG-CG 4.42Å; K110-L114 WeakPolarHBondContact O-CG 3.25Å; K110-L114 PolarHBondContact O-N 2.86Å; K110-I133 WeakPolarHBondContact CE-O 3.28Å; K110-K134 PolarHBondContact NZ-O 2.85Å; K110-Y136 HydrophobicContact CD-CD1 4.44Å; K110-Y136 PolarHBondContact NZ-O 3.13Å; K110-G138 WeakPolarHBondContact CD-O 3.33Å; K110-S139 WeakPolarHBondContact CB-O 3.43Å; K110-S139 PolarHBondContact N-O 3.43Å; K110-I141 HydrophobicContact CB-CD1 4.24Å; K110-I141 HydrophobicContact CB-CG1 4.35Å; K110-I141 HydrophobicContact CG-CD1 4.27Å
111	S	87.3	Confident	86.5	Confident	52 Å²	52	66.4 Å²	66.4	36%	0.364	34%	0.337	S	S	.	.	H	α-helix	trans	-65.2	-33.6	-179	68.2	0	0	0	0	112.7	N109 L114 K115	N109-S111 PolarHBondContact O-N 2.97Å; N109-S111 VanDerWaalsContact O-N 3.16Å; N109-S111 WeakPolarHBondContact OD1-CB 3.28Å; N109-S111 PolarHBondContact OD1-N 3.17Å; N109-S111 PolarHBondContact OD1-OG 3.01Å; S111-L114 PolarHBondContact O-N 2.98Å; S111-K115 WeakPolarHBondContact O-CG 3.3Å; S111-K115 PolarHBondContact O-N 3.46Å
112	D	90.7	Very high	86.7	Confident	69 Å²	69	62.5 Å²	62.5	37%	0.369	34%	0.341	S	S	.	.	H	α-helix	trans	-75.9	-36.2	178.7	-63.8	-31.5	0	0	0	111.6	F91 N109 K110 L114 K115 D116	F91-D112 HydrophobicContact CE1-CB 4.17Å; N109-D112 PolarHBondContact O-N 3.32Å; K110-D112 VanDerWaalsContact C-N 3.3Å; K110-D112 PolarHBondContact O-N 3.45Å; D112-L114 VanDerWaalsContact C-N 3.32Å; D112-L114 PolarHBondContact O-N 3.45Å; D112-K115 PolarHBondContact O-N 3.06Å; D112-K115 IonicContact OD1-NZ 3.29Å; D112-K115 PolarHBondContact OD1-NZ 3.15Å; D112-D116 PolarHBondContact O-N 3.47Å
113	I	89.3	Confident	87.3	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-63.1	-40.3	171.6	-59.3	170.2	0	0	0	110.8	F91 L108 N109 K110 D116 L117 F126 I133 I141	F91-I113 HydrophobicContact CE1-CG1 3.88Å; F91-I113 HydrophobicContact CZ-CG1 4.14Å; L108-I113 HydrophobicContact CB-CD1 3.92Å; L108-I113 HydrophobicContact CB-CG1 4.46Å; L108-I113 HydrophobicContact CD1-CD1 4.32Å; N109-I113 PolarHBondContact O-N 3.25Å; K110-I113 PolarHBondContact O-N 3.46Å; I113-D116 PolarHBondContact O-N 3.35Å; I113-L117 HydrophobicContact CG2-CD1 4.06Å; I113-L117 WeakPolarHBondContact O-CB 3.44Å; I113-L117 WeakPolarHBondContact O-CG 3.25Å; I113-L117 PolarHBondContact O-N 3.28Å; I113-F126 HydrophobicContact CD1-CE1 4.34Å; I113-F126 HydrophobicContact CG2-CB 3.84Å; I113-F126 HydrophobicContact CG2-CD1 4.02Å; I113-F126 HydrophobicContact CG2-CD2 4Å; I113-F126 HydrophobicContact CG2-CG 3.68Å; I113-I133 HydrophobicContact CG2-CD1 4.12Å; I113-I133 HydrophobicContact CG2-CG2 3.99Å; I113-I141 HydrophobicContact CD1-CD1 4.17Å
114	L	89.6	Confident	87.7	Confident	53 Å²	53	55.4 Å²	55.4	28%	0.277	31%	0.308	S	S	.	.	H	α-helix	trans	-68	-36.8	177.3	-71.9	174.6	0	0	0	112.8	K110 S111 D112 L117 Q118 I133	K110-L114 HydrophobicContact CG-CD1 4.1Å; K110-L114 HydrophobicContact CG-CG 4.42Å; K110-L114 WeakPolarHBondContact O-CG 3.25Å; K110-L114 PolarHBondContact O-N 2.86Å; S111-L114 PolarHBondContact O-N 2.98Å; D112-L114 VanDerWaalsContact C-N 3.32Å; D112-L114 PolarHBondContact O-N 3.45Å; L114-L117 HydrophobicContact CD2-CD1 4.25Å; L114-L117 PolarHBondContact O-N 3.07Å; L114-Q118 WeakPolarHBondContact O-CG 2.78Å; L114-Q118 PolarHBondContact O-N 2.82Å; L114-I133 HydrophobicContact CD2-CG2 4.42Å
115	K	88.6	Confident	88	Confident	110 Å²	110	55.6 Å²	55.6	48%	0.478	31%	0.307	S	S	.	.	H	α-helix	trans	-62.9	-43.7	171.9	-71.3	170.7	-161.5	155.3	0	111.1	S111 D112 L117 Q118 L119	S111-K115 WeakPolarHBondContact O-CG 3.3Å; S111-K115 PolarHBondContact O-N 3.46Å; D112-K115 PolarHBondContact O-N 3.06Å; D112-K115 IonicContact OD1-NZ 3.29Å; D112-K115 PolarHBondContact OD1-NZ 3.15Å; K115-L117 PolarHBondContact O-N 3.1Å; K115-Q118 WeakPolarHBondContact O-CB 3.34Å; K115-Q118 PolarHBondContact O-N 2.89Å; K115-Q118 VanDerWaalsContact O-N 3.13Å; K115-L119 WeakPolarHBondContact O-CG 3.5Å; K115-L119 PolarHBondContact O-N 2.77Å
116	D	89.3	Confident	88.3	Confident	11 Å²	11	54 Å²	54	6%	0.059	30%	0.299	C	S	.	.	H	α-helix	trans	-61.7	-43.2	176.5	-177.3	62.9	0	0	0	112.2	F91 D112 I113 Q118 L119 R120 S124	F91-D116 HydrophobicContact CE2-CB 4.15Å; F91-D116 HydrophobicContact CZ-CB 3.61Å; D112-D116 PolarHBondContact O-N 3.47Å; I113-D116 PolarHBondContact O-N 3.35Å; D116-Q118 PolarHBondContact O-N 2.58Å; D116-L119 PolarHBondContact O-N 2.9Å; D116-R120 VanDerWaalsContact CG-NH2 3.26Å; D116-R120 PolarHBondContact O-N 2.91Å; D116-R120 IonicContact OD1-CZ 2.65Å; D116-R120 VanDerWaalsContact OD1-CZ 3.26Å; D116-R120 IonicContact OD1-NE 3.89Å; D116-R120 PolarHBondContact OD1-NE 2.86Å; D116-R120 IonicContact OD1-NH2 3.31Å; D116-R120 PolarHBondContact OD1-NH2 3.36Å; D116-R120 VanDerWaalsContact OD1-NH2 3.07Å; D116-R120 IonicContact OD2-CZ 2.58Å; D116-R120 IonicContact OD2-NE 2.84Å; D116-R120 PolarHBondContact OD2-NE 2.74Å; D116-R120 IonicContact OD2-NH2 3.07Å; D116-R120 PolarHBondContact OD2-NH2 2.79Å; D116-S124 VanDerWaalsContact OD2-CB 3.31Å; D116-S124 WeakPolarHBondContact OD2-CB 3.37Å; D116-S124 PolarHBondContact OD2-OG 2.82Å
117	L	88.5	Confident	88.2	Confident	5 Å²	5	55 Å²	55	3%	0.026	31%	0.307	C	S	.	.	H	α-helix	trans	-63.7	-26.8	174	-77.9	166.6	0	0	0	113.6	I113 L114 K115 A121 F126 S127 K130	I113-L117 HydrophobicContact CG2-CD1 4.06Å; I113-L117 WeakPolarHBondContact O-CB 3.44Å; I113-L117 WeakPolarHBondContact O-CG 3.25Å; I113-L117 PolarHBondContact O-N 3.28Å; L114-L117 HydrophobicContact CD2-CD1 4.25Å; L114-L117 PolarHBondContact O-N 3.07Å; K115-L117 PolarHBondContact O-N 3.1Å; L117-A121 VanDerWaalsContact O-CA 3.26Å; L117-A121 WeakPolarHBondContact O-CA 3.45Å; L117-A121 PolarHBondContact O-N 3.13Å; L117-F126 HydrophobicContact CD1-CB 4.47Å; L117-F126 HydrophobicContact CD2-CB 4.18Å; L117-F126 HydrophobicContact CG-CB 4.31Å; L117-S127 VanDerWaalsContact CD2-CA 3.48Å; L117-K130 HydrophobicContact CD1-CB 4.43Å; L117-K130 HydrophobicContact CD1-CG 4.18Å; L117-K130 HydrophobicContact CD2-CB 4.25Å; L117-K130 HydrophobicContact CD2-CD 4.4Å; L117-K130 HydrophobicContact CD2-CG 4.29Å
118	Q	86.5	Confident	88.2	Confident	160 Å²	160	58.2 Å²	58.2	75%	0.748	33%	0.329	S	S	*	.	H	α-helix	trans	-78.3	-43.6	173.6	-76.1	177.2	-7	0	0	111.7	L114 K115 D116	L114-Q118 WeakPolarHBondContact O-CG 2.78Å; L114-Q118 PolarHBondContact O-N 2.82Å; K115-Q118 WeakPolarHBondContact O-CB 3.34Å; K115-Q118 PolarHBondContact O-N 2.89Å; K115-Q118 VanDerWaalsContact O-N 3.13Å; D116-Q118 PolarHBondContact O-N 2.58Å
119	L	87.1	Confident	88.1	Confident	153 Å²	153	59.1 Å²	59.1	80%	0.801	33%	0.332	S	S	*	.	H	α-helix	trans	-74	-46.1	-176.6	-70.6	171.6	0	0	0	112.7	K115 D116	K115-L119 WeakPolarHBondContact O-CG 3.5Å; K115-L119 PolarHBondContact O-N 2.77Å; D116-L119 PolarHBondContact O-N 2.9Å
120	R	87.3	Confident	87.8	Confident	50 Å²	50	61 Å²	61	19%	0.189	34%	0.337	C	S	.	.	S	Bend	trans	-98	-10.8	-175.9	-64.4	-163.9	-63	154.8	-3.4	113.5	S87 I90 D116 A122 V123	S87-R120 PolarHBondContact OG-NH1 3.46Å; S87-R120 PolarHBondContact OG-NH2 2.75Å; I90-R120 VanDerWaalsContact CD1-CZ 3.44Å; D116-R120 VanDerWaalsContact CG-NH2 3.26Å; D116-R120 PolarHBondContact O-N 2.91Å; D116-R120 IonicContact OD1-CZ 2.65Å; D116-R120 VanDerWaalsContact OD1-CZ 3.26Å; D116-R120 IonicContact OD1-NE 3.89Å; D116-R120 PolarHBondContact OD1-NE 2.86Å; D116-R120 IonicContact OD1-NH2 3.31Å; D116-R120 PolarHBondContact OD1-NH2 3.36Å; D116-R120 VanDerWaalsContact OD1-NH2 3.07Å; D116-R120 IonicContact OD2-CZ 2.58Å; D116-R120 IonicContact OD2-NE 2.84Å; D116-R120 PolarHBondContact OD2-NE 2.74Å; D116-R120 IonicContact OD2-NH2 3.07Å; D116-R120 PolarHBondContact OD2-NH2 2.79Å; R120-A122 PolarHBondContact O-N 3.26Å; R120-A122 VanDerWaalsContact O-N 3.16Å; R120-V123 HydrophobicContact CB-CB 4.24Å; R120-V123 WeakPolarHBondContact O-CA 3.37Å; R120-V123 VanDerWaalsContact O-CB 3.26Å; R120-V123 WeakPolarHBondContact O-CB 3.38Å; R120-V123 PolarHBondContact O-N 3.21Å
121	A	84.1	Confident	87.8	Confident	53 Å²	53	64.2 Å²	64.2	44%	0.438	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	48	-117.7	179	0	0	0	0	0	112.7	L117 V123 S124 S127	L117-A121 VanDerWaalsContact O-CA 3.26Å; L117-A121 WeakPolarHBondContact O-CA 3.45Å; L117-A121 PolarHBondContact O-N 3.13Å; A121-V123 PolarHBondContact O-N 2.87Å; A121-S124 PolarHBondContact O-N 2.89Å; A121-S127 WeakPolarHBondContact O-CB 3.25Å
122	A	82.9	Confident	87.8	Confident	88 Å²	88	63.7 Å²	63.7	73%	0.727	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-72.5	-10.6	179.8	0	0	0	0	0	114.1	R120	R120-A122 PolarHBondContact O-N 3.26Å; R120-A122 VanDerWaalsContact O-N 3.16Å
123	V	85.7	Confident	87.8	Confident	109 Å²	109	60.4 Å²	60.4	66%	0.661	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-85.2	-17.1	176.5	-173.1	0	0	0	0	111.6	R120 A121 D125	R120-V123 HydrophobicContact CB-CB 4.24Å; R120-V123 WeakPolarHBondContact O-CA 3.37Å; R120-V123 VanDerWaalsContact O-CB 3.26Å; R120-V123 WeakPolarHBondContact O-CB 3.38Å; R120-V123 PolarHBondContact O-N 3.21Å; A121-V123 PolarHBondContact O-N 2.87Å; V123-D125 PolarHBondContact O-N 3.22Å
124	S	87.5	Confident	87.7	Confident	1 Å²	1	67.3 Å²	67.3	1%	0.007	37%	0.371	C	S	.	.	S	Bend	trans	-69.8	129.3	172.6	176.5	0	0	0	0	109.6	D116 A121 F126 S127	D116-S124 VanDerWaalsContact OD2-CB 3.31Å; D116-S124 WeakPolarHBondContact OD2-CB 3.37Å; D116-S124 PolarHBondContact OD2-OG 2.82Å; A121-S124 PolarHBondContact O-N 2.89Å; S124-F126 PolarHBondContact O-N 2.75Å; S124-F126 PolarHBondContact OG-N 3.23Å; S124-S127 WeakPolarHBondContact O-CB 3.36Å; S124-S127 PolarHBondContact O-N 2.82Å; S124-S127 PolarHBondContact O-OG 3.47Å
125	D	90.1	Very high	87.7	Confident	36 Å²	36	70.5 Å²	70.5	19%	0.193	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-62	-27.5	176.6	-64.7	-35.5	0	0	0	111.8	F82 L83 S84 S87 V123 S127	F82-D125 WeakPolarHBondContact O-CB 3.49Å; L83-D125 HydrophobicContact CD2-CB 3.78Å; S84-D125 VanDerWaalsContact CB-OD2 3.26Å; S84-D125 WeakPolarHBondContact CB-OD2 3.45Å; S84-D125 PolarHBondContact N-OD2 3.08Å; S84-D125 PolarHBondContact OG-OD2 2.91Å; S87-D125 WeakPolarHBondContact CB-OD2 3.42Å; S87-D125 PolarHBondContact OG-OD2 2.95Å; V123-D125 PolarHBondContact O-N 3.22Å; D125-S127 PolarHBondContact O-N 2.94Å
126	F	91.5	Very high	87.7	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-70.3	-6.4	173.3	-67.3	-74.3	0	0	0	113.5	I81 L83 F91 L108 I113 L117 S124 V128 Q129 K130 I133 L143 I157	I81-F126 HydrophobicContact CD1-CD1 3.81Å; I81-F126 HydrophobicContact CD1-CE1 4.2Å; L83-F126 HydrophobicContact CD1-CE1 4.44Å; L83-F126 HydrophobicContact CD1-CE2 4.48Å; L83-F126 HydrophobicContact CD1-CZ 3.84Å; L83-F126 HydrophobicContact CD2-CD1 4.39Å; L83-F126 HydrophobicContact CD2-CD2 4.27Å; L83-F126 HydrophobicContact CD2-CE1 3.96Å; L83-F126 HydrophobicContact CD2-CE2 3.8Å; L83-F126 HydrophobicContact CD2-CZ 3.65Å; L83-F126 HydrophobicContact CG-CZ 4.42Å; F91-F126 AromaticContact CD2-CE2 3.78Å; F91-F126 HydrophobicContact CD2-CE2 3.78Å; F91-F126 AromaticContact CE2-CD2 3.91Å; F91-F126 HydrophobicContact CE2-CD2 3.91Å; F91-F126 AromaticContact CE2-CE2 3.42Å; F91-F126 HydrophobicContact CE2-CE2 3.42Å; F91-F126 VanDerWaalsContact CE2-CE2 3.42Å; F91-F126 HydrophobicContact CE2-CZ 4.49Å; F91-F126 HydrophobicContact CZ-CD2 4.26Å; F91-F126 AromaticContact CZ-CE2 3.94Å; F91-F126 HydrophobicContact CZ-CE2 3.94Å; L108-F126 HydrophobicContact CD1-CZ 4.01Å; I113-F126 HydrophobicContact CD1-CE1 4.34Å; I113-F126 HydrophobicContact CG2-CB 3.84Å; I113-F126 HydrophobicContact CG2-CD1 4.02Å; I113-F126 HydrophobicContact CG2-CD2 4Å; I113-F126 HydrophobicContact CG2-CG 3.68Å; L117-F126 HydrophobicContact CD1-CB 4.47Å; L117-F126 HydrophobicContact CD2-CB 4.18Å; L117-F126 HydrophobicContact CG-CB 4.31Å; S124-F126 PolarHBondContact O-N 2.75Å; S124-F126 PolarHBondContact OG-N 3.23Å; F126-V128 PolarHBondContact O-N 3.2Å; F126-Q129 PolarHBondContact O-N 3.15Å; F126-K130 PolarHBondContact O-N 2.95Å; F126-I133 HydrophobicContact CB-CD1 3.92Å; F126-I133 HydrophobicContact CD1-CD1 3.93Å; F126-I133 HydrophobicContact CG-CD1 4.36Å; F126-L143 HydrophobicContact CE1-CD1 4.13Å; F126-I157 HydrophobicContact CD1-CD1 4.32Å; F126-I157 HydrophobicContact CE1-CD1 4.24Å
127	S	87.5	Confident	87.5	Confident	38 Å²	38	69.8 Å²	69.8	27%	0.266	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-64.3	-26.3	-177.6	65.2	0	0	0	0	112.8	L117 A121 S124 D125 Q129 K130	L117-S127 VanDerWaalsContact CD2-CA 3.48Å; A121-S127 WeakPolarHBondContact O-CB 3.25Å; S124-S127 WeakPolarHBondContact O-CB 3.36Å; S124-S127 PolarHBondContact O-N 2.82Å; S124-S127 PolarHBondContact O-OG 3.47Å; D125-S127 PolarHBondContact O-N 2.94Å; S127-Q129 VanDerWaalsContact C-N 3.33Å; S127-Q129 PolarHBondContact O-N 2.54Å; S127-K130 VanDerWaalsContact O-CB 3.27Å; S127-K130 WeakPolarHBondContact O-CB 3.42Å; S127-K130 PolarHBondContact O-N 3.08Å
128	V	88	Confident	87.2	Confident	119 Å²	119	69.9 Å²	69.9	72%	0.721	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-62.4	-38.7	176.7	-178.6	0	0	0	0	111.4	F126	F126-V128 PolarHBondContact O-N 3.2Å
129	Q	88.2	Confident	87.3	Confident	29 Å²	29	65.9 Å²	65.9	14%	0.136	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-105.1	17.7	178.8	-67.4	78	7.2	0	0	112.7	F126 S127 V131 A132 I133 L159	F126-Q129 PolarHBondContact O-N 3.15Å; S127-Q129 VanDerWaalsContact C-N 3.33Å; S127-Q129 PolarHBondContact O-N 2.54Å; Q129-V131 VanDerWaalsContact C-N 3.27Å; Q129-V131 PolarHBondContact O-N 3.12Å; Q129-V131 VanDerWaalsContact O-N 3.12Å; Q129-A132 PolarHBondContact O-N 3.17Å; Q129-I133 HydrophobicContact CB-CD1 3.93Å; Q129-I133 HydrophobicContact CB-CG1 4.17Å; Q129-I133 WeakPolarHBondContact O-CG1 3.45Å; Q129-I133 PolarHBondContact O-N 3.4Å; Q129-L159 HydrophobicContact CB-CD1 4.46Å; Q129-L159 HydrophobicContact CG-CD1 4.33Å
130	K	86.1	Confident	87.5	Confident	106 Å²	106	61.1 Å²	61.1	46%	0.461	36%	0.363	S	S	.	.	H	α-helix	trans	-49.6	-43.4	-175.4	179.6	176	-173.2	175.7	0	113.9	L117 F126 S127 K134	L117-K130 HydrophobicContact CD1-CB 4.43Å; L117-K130 HydrophobicContact CD1-CG 4.18Å; L117-K130 HydrophobicContact CD2-CB 4.25Å; L117-K130 HydrophobicContact CD2-CD 4.4Å; L117-K130 HydrophobicContact CD2-CG 4.29Å; F126-K130 PolarHBondContact O-N 2.95Å; S127-K130 VanDerWaalsContact O-CB 3.27Å; S127-K130 WeakPolarHBondContact O-CB 3.42Å; S127-K130 PolarHBondContact O-N 3.08Å; K130-K134 WeakPolarHBondContact O-CB 3.08Å; K130-K134 PolarHBondContact O-N 2.71Å
131	V	88.1	Confident	87.7	Confident	107 Å²	107	58.7 Å²	58.7	65%	0.648	35%	0.354	S	S	*	.	H	α-helix	trans	-67.4	-45.8	-179.5	179.9	0	0	0	0	110.8	Q129 K134 N135	Q129-V131 VanDerWaalsContact C-N 3.27Å; Q129-V131 PolarHBondContact O-N 3.12Å; Q129-V131 VanDerWaalsContact O-N 3.12Å; V131-K134 PolarHBondContact O-N 2.89Å; V131-N135 VanDerWaalsContact O-CG 3.28Å; V131-N135 PolarHBondContact O-N 2.93Å; V131-N135 VanDerWaalsContact O-N 3.11Å
132	A	88.3	Confident	88.1	Confident	41 Å²	41	56.2 Å²	56.2	34%	0.339	33%	0.333	S	S	.	.	H	α-helix	trans	-67.9	-41.7	-179.5	0	0	0	0	0	112	Q129 K134 N135 Y136 L159	Q129-A132 PolarHBondContact O-N 3.17Å; A132-K134 VanDerWaalsContact C-N 3.33Å; A132-K134 PolarHBondContact O-N 3.08Å; A132-N135 CarbonylContact O-C 3.53Å; A132-N135 PolarHBondContact O-N 3.5Å; A132-Y136 PolarHBondContact O-N 2.72Å; A132-L159 HydrophobicContact CB-CD1 3.75Å; A132-L159 HydrophobicContact CB-CD2 4.44Å
133	I	89.1	Confident	88.5	Confident	0 Å²	0	52 Å²	52	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60.8	-42.4	175.3	-68	164.7	0	0	0	110.8	K110 I113 L114 F126 Q129 N135 Y136 I141 I157 L159	K110-I133 WeakPolarHBondContact CE-O 3.28Å; I113-I133 HydrophobicContact CG2-CD1 4.12Å; I113-I133 HydrophobicContact CG2-CG2 3.99Å; L114-I133 HydrophobicContact CD2-CG2 4.42Å; F126-I133 HydrophobicContact CB-CD1 3.92Å; F126-I133 HydrophobicContact CD1-CD1 3.93Å; F126-I133 HydrophobicContact CG-CD1 4.36Å; Q129-I133 HydrophobicContact CB-CD1 3.93Å; Q129-I133 HydrophobicContact CB-CG1 4.17Å; Q129-I133 WeakPolarHBondContact O-CG1 3.45Å; Q129-I133 PolarHBondContact O-N 3.4Å; I133-N135 VanDerWaalsContact C-N 3.3Å; I133-N135 PolarHBondContact O-N 2.89Å; I133-Y136 WeakPolarHBondContact O-CB 3.47Å; I133-Y136 PolarHBondContact O-N 3.34Å; I133-I141 HydrophobicContact CB-CD1 4.42Å; I133-I141 HydrophobicContact CG1-CD1 4.32Å; I133-I141 HydrophobicContact CG2-CD1 3.83Å; I133-I157 HydrophobicContact CD1-CD1 4.23Å; I133-I157 HydrophobicContact CG1-CD1 4.25Å; I133-L159 HydrophobicContact CG1-CD2 3.97Å
134	K	87.8	Confident	88.7	Confident	144 Å²	144	47 Å²	47	63%	0.626	27%	0.268	S	S	*	.	H	α-helix	trans	-63.2	-39.3	177.3	-167.3	178.5	-179.9	-174.7	0	111.7	K110 K130 V131 A132	K110-K134 PolarHBondContact NZ-O 2.85Å; K130-K134 WeakPolarHBondContact O-CB 3.08Å; K130-K134 PolarHBondContact O-N 2.71Å; V131-K134 PolarHBondContact O-N 2.89Å; A132-K134 VanDerWaalsContact C-N 3.33Å; A132-K134 PolarHBondContact O-N 3.08Å
135	N	89.1	Confident	88.8	Confident	121 Å²	121	47.6 Å²	47.6	65%	0.647	27%	0.27	S	S	*	.	H	α-helix	trans	-80.8	-11.8	-179.2	-66.9	-8.3	0	0	0	114.1	V131 A132 I133	V131-N135 VanDerWaalsContact O-CG 3.28Å; V131-N135 PolarHBondContact O-N 2.93Å; V131-N135 VanDerWaalsContact O-N 3.11Å; A132-N135 CarbonylContact O-C 3.53Å; A132-N135 PolarHBondContact O-N 3.5Å; I133-N135 VanDerWaalsContact C-N 3.3Å; I133-N135 PolarHBondContact O-N 2.89Å
136	Y	89.1	Confident	88.7	Confident	3 Å²	3	46 Å²	46	1%	0.012	26%	0.262	C	S	.	.			trans	-59.1	126.4	178.8	-175.6	-106.8	0	0	0	111.3	K110 A132 I133 G138 D140 I141 L159 K164	K110-Y136 HydrophobicContact CD-CD1 4.44Å; K110-Y136 PolarHBondContact NZ-O 3.13Å; A132-Y136 PolarHBondContact O-N 2.72Å; I133-Y136 WeakPolarHBondContact O-CB 3.47Å; I133-Y136 PolarHBondContact O-N 3.34Å; Y136-G138 VanDerWaalsContact CD1-O 3.31Å; Y136-G138 WeakPolarHBondContact CD1-O 3.42Å; Y136-G138 VanDerWaalsContact CE1-CA 3.45Å; Y136-D140 WeakPolarHBondContact CE1-O 3.48Å; Y136-D140 PolarHBondContact OH-O 2.88Å; Y136-I141 HydrophobicContact CD1-CD1 4.11Å; Y136-I141 HydrophobicContact CD1-CG1 3.51Å; Y136-I141 HydrophobicContact CE1-CG1 3.71Å; Y136-I141 HydrophobicContact CG-CD1 4.32Å; Y136-I141 HydrophobicContact CG-CG1 4.06Å; Y136-L159 VanDerWaalsContact CD2-C 3.48Å; Y136-L159 WeakPolarHBondContact CD2-O 3.01Å; Y136-K164 WeakPolarHBondContact OH-CD 3.31Å; Y136-K164 WeakPolarHBondContact OH-CE 3.35Å; Y136-K164 PolarHBondContact OH-NZ 3.02Å
137	P	84.6	Confident	88.3	Confident	103 Å²	103	47.4 Å²	47.4	67%	0.669	27%	0.273	S	S	*	.			trans	-73.3	-30.2	-173.4	26.4	-33.4	0	0	0	113.9	E161	P137-E161 HydrophobicContact CG-CB 4.27Å
138	G	83.3	Confident	88.1	Confident	7 Å²	7	50.7 Å²	50.7	7%	0.072	29%	0.287	C	S	.	.	S	Bend	trans	-79.4	163.7	-174.1	0	0	0	0	0	115.2	K110 Y136 E161	K110-G138 WeakPolarHBondContact CD-O 3.33Å; Y136-G138 VanDerWaalsContact CD1-O 3.31Å; Y136-G138 WeakPolarHBondContact CD1-O 3.42Å; Y136-G138 VanDerWaalsContact CE1-CA 3.45Å; G138-E161 WeakPolarHBondContact CA-OE2 3.46Å; G138-E161 PolarHBondContact N-OE2 2.84Å
139	S	87.8	Confident	88	Confident	76 Å²	76	50.6 Å²	50.6	53%	0.531	28%	0.275	S	S	.	.	S	Bend	trans	-73.5	-38	173.6	53.5	0	0	0	0	112.6	K110	K110-S139 WeakPolarHBondContact CB-O 3.43Å; K110-S139 PolarHBondContact N-O 3.43Å
140	D	91.6	Very high	87.6	Confident	52 Å²	52	53.1 Å²	53.1	28%	0.278	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	130.1	-174.2	-53.9	-43.9	0	0	0	110.8	L107 L108 Y136 K164	L107-D140 HydrophobicContact CB-CB 4.4Å; L107-D140 HydrophobicContact CD2-CB 4Å; L108-D140 WeakPolarHBondContact O-CA 3.46Å; Y136-D140 WeakPolarHBondContact CE1-O 3.48Å; Y136-D140 PolarHBondContact OH-O 2.88Å; D140-K164 PolarHBondContact O-NZ 2.88Å
141	I	91.5	Very high	87.4	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	132.3	179.5	-61.7	178.1	0	0	0	108.4	L108 K110 I113 I133 Y136 I157	L108-I141 PolarHBondContact N-O 2.99Å; L108-I141 PolarHBondContact O-N 3.11Å; K110-I141 HydrophobicContact CB-CD1 4.24Å; K110-I141 HydrophobicContact CB-CG1 4.35Å; K110-I141 HydrophobicContact CG-CD1 4.27Å; I113-I141 HydrophobicContact CD1-CD1 4.17Å; I133-I141 HydrophobicContact CB-CD1 4.42Å; I133-I141 HydrophobicContact CG1-CD1 4.32Å; I133-I141 HydrophobicContact CG2-CD1 3.83Å; Y136-I141 HydrophobicContact CD1-CD1 4.11Å; Y136-I141 HydrophobicContact CD1-CG1 3.51Å; Y136-I141 HydrophobicContact CE1-CG1 3.71Å; Y136-I141 HydrophobicContact CG-CD1 4.32Å; Y136-I141 HydrophobicContact CG-CG1 4.06Å; I141-I157 HydrophobicContact CG2-CD1 3.92Å; I141-I157 HydrophobicContact CG2-CG1 3.62Å
142	L	91.5	Very high	87.2	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	128.7	178.7	-168.1	70.2	0	0	0	110.3	I105 L107 I144 V158 K164 I167 L168	I105-L142 HydrophobicContact CG2-CD1 3.25Å; I105-L142 HydrophobicContact CG2-CD2 4.42Å; I105-L142 HydrophobicContact CG2-CG 4.03Å; L107-L142 HydrophobicContact CD2-CB 4.26Å; L107-L142 HydrophobicContact CD2-CD1 3.74Å; L107-L142 HydrophobicContact CG-CD1 3.92Å; L142-I144 HydrophobicContact CD2-CD1 4.27Å; L142-I144 HydrophobicContact CD2-CG1 4.4Å; L142-I144 HydrophobicContact CG-CG1 4.35Å; L142-V158 HydrophobicContact CB-CB 4.06Å; L142-V158 HydrophobicContact CB-CG2 4.16Å; L142-V158 HydrophobicContact CD2-CG2 4.06Å; L142-V158 HydrophobicContact CG-CG2 4.37Å; L142-V158 PolarHBondContact O-N 3.28Å; L142-K164 HydrophobicContact CB-CD 4.36Å; L142-K164 HydrophobicContact CB-CG 4.12Å; L142-K164 HydrophobicContact CD2-CG 4.3Å; L142-I167 HydrophobicContact CD2-CB 4.36Å; L142-I167 HydrophobicContact CD2-CD1 4.5Å; L142-I167 HydrophobicContact CD2-CG2 4.06Å; L142-L168 HydrophobicContact CD1-CD2 4.17Å; L142-L168 HydrophobicContact CD2-CD2 4.49Å; L142-L168 HydrophobicContact CD2-CG 4.41Å
143	L	91.9	Very high	87.2	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	134.5	170.6	-128.4	91.4	0	0	0	109.3	L83 I93 I106 L108 F126 F155 I157	L83-L143 HydrophobicContact CD1-CD2 3.45Å; L83-L143 VanDerWaalsContact CD1-CD2 3.45Å; I93-L143 HydrophobicContact CD1-CD2 4.2Å; I106-L143 HydrophobicContact CG2-CB 3.7Å; I106-L143 PolarHBondContact N-O 3.48Å; I106-L143 PolarHBondContact O-N 2.83Å; L108-L143 HydrophobicContact CD1-CD1 4.22Å; F126-L143 HydrophobicContact CE1-CD1 4.13Å; L143-F155 HydrophobicContact CD2-CB 3.75Å; L143-F155 HydrophobicContact CD2-CD1 3.48Å; L143-F155 VanDerWaalsContact CD2-CD1 3.48Å; L143-F155 HydrophobicContact CD2-CD2 4.33Å; L143-F155 HydrophobicContact CD2-CE1 4.12Å; L143-F155 HydrophobicContact CD2-CG 3.59Å; L143-F155 HydrophobicContact CG-CB 4.26Å; L143-F155 HydrophobicContact CG-CD1 4.33Å; L143-I157 HydrophobicContact CD1-CB 4.04Å; L143-I157 HydrophobicContact CD1-CD1 4.05Å; L143-I157 HydrophobicContact CD1-CG1 3.86Å
144	I	89.4	Confident	87.2	Confident	3 Å²	3	48.7 Å²	48.7	2%	0.015	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	123.9	179.2	-54.6	170.7	0	0	0	108.1	I68 F69 P104 I105 L142 F155 V156 V158 I167	I68-I144 HydrophobicContact CD1-CB 4.25Å; I68-I144 HydrophobicContact CD1-CD1 3.5Å; I68-I144 HydrophobicContact CD1-CG1 4.47Å; I68-I144 HydrophobicContact CD1-CG2 4.03Å; I68-I144 HydrophobicContact CG1-CD1 4.08Å; I68-I144 HydrophobicContact CG1-CG2 4.36Å; F69-I144 HydrophobicContact CE2-CG2 3.69Å; F69-I144 HydrophobicContact CZ-CG2 3.76Å; P104-I144 HydrophobicContact CB-CG2 4.47Å; P104-I144 CarbonylContact O-C 3.55Å; P104-I144 WeakPolarHBondContact O-CA 3.29Å; I105-I144 HydrophobicContact CG1-CG1 4.34Å; I105-I144 HydrophobicContact CG1-CG2 4.44Å; L142-I144 HydrophobicContact CD2-CD1 4.27Å; L142-I144 HydrophobicContact CD2-CG1 4.4Å; L142-I144 HydrophobicContact CG-CG1 4.35Å; I144-F155 CarbonylContact O-C 3.45Å; I144-F155 VanDerWaalsContact O-CA 3.3Å; I144-F155 WeakPolarHBondContact O-CA 3.18Å; I144-V156 HydrophobicContact CB-CB 4.44Å; I144-V156 PolarHBondContact N-O 2.85Å; I144-V156 PolarHBondContact O-N 3.41Å; I144-V158 HydrophobicContact CD1-CG2 4.06Å; I144-I167 HydrophobicContact CD1-CD1 4.17Å; I144-I167 HydrophobicContact CD1-CG2 4.33Å
145	Y	90.4	Very high	87.5	Confident	15 Å²	15	41.9 Å²	41.9	6%	0.059	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	121.7	177.9	178.4	-133.7	0	0	0	110.4	F69 T95 I99 P104 A147 N154 F155	F69-Y145 WeakPolarHBondContact CZ-O 3.4Å; T95-Y145 HydrophobicContact CG2-CD2 3.81Å; T95-Y145 HydrophobicContact CG2-CE2 3.32Å; I99-Y145 HydrophobicContact CG1-CG 4.48Å; I99-Y145 HydrophobicContact CG2-CD1 4.4Å; I99-Y145 HydrophobicContact CG2-CG 4.18Å; P104-Y145 PolarHBondContact O-N 2.79Å; Y145-A147 HydrophobicContact CD1-CB 4.14Å; Y145-A147 HydrophobicContact CE1-CB 3.56Å; Y145-N154 VanDerWaalsContact CD2-O 3.3Å; Y145-N154 WeakPolarHBondContact CD2-O 3.27Å; Y145-F155 HydrophobicContact CD2-CD1 4.19Å; Y145-F155 AromaticContact CD2-CE1 3.75Å; Y145-F155 HydrophobicContact CD2-CE1 3.75Å; Y145-F155 AromaticContact CD2-CZ 3.94Å; Y145-F155 HydrophobicContact CD2-CZ 3.94Å; Y145-F155 HydrophobicContact CG-CE1 4.14Å
146	D	88.2	Confident	87.6	Confident	3 Å²	3	36.1 Å²	36.1	2%	0.016	21%	0.206	C	C	.	.			trans	-101.5	83.1	176	-174.1	-3.2	0	0	0	108.3	F69 D148 Y149 K150 F151 N154	F69-D146 HydrophobicContact CE1-CB 3.81Å; F69-D146 HydrophobicContact CZ-CB 3.93Å; D146-D148 PolarHBondContact O-N 3.37Å; D146-Y149 PolarHBondContact O-N 3.49Å; D146-Y149 WeakPolarHBondContact OD1-CA 3.49Å; D146-Y149 PolarHBondContact OD1-N 2.82Å; D146-K150 PolarHBondContact OD1-N 3.29Å; D146-K150 PolarHBondContact OD2-N 3.16Å; D146-F151 PolarHBondContact OD2-N 3.4Å; D146-N154 PolarHBondContact N-O 3.28Å
147	A	82.5	Confident	87.7	Confident	29 Å²	29	36 Å²	36	24%	0.24	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-31.7	-177.4	0	0	0	0	0	112.6	R101 Y145	R101-A147 HydrophobicContact CB-CB 4.47Å; R101-A147 HydrophobicContact CG-CB 4.21Å; Y145-A147 HydrophobicContact CD1-CB 4.14Å; Y145-A147 HydrophobicContact CE1-CB 3.56Å
148	D	83.9	Confident	88	Confident	106 Å²	106	31 Å²	31	57%	0.567	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.3	1.2	-176.4	-63.3	-39.8	0	0	0	112.3	R101 D146 K150	R101-D148 IonicContact CZ-OD1 2.65Å; R101-D148 IonicContact CZ-OD2 2.83Å; R101-D148 IonicContact NE-OD2 2.68Å; R101-D148 IonicContact NH2-OD1 3.38Å; R101-D148 PolarHBondContact NH2-OD1 2.86Å; R101-D148 IonicContact NH2-OD2 2.98Å; R101-D148 PolarHBondContact NH2-OD2 2.85Å; D146-D148 PolarHBondContact O-N 3.37Å; D148-K150 PolarHBondContact O-N 2.81Å; D148-K150 VanDerWaalsContact O-N 3.17Å
149	Y	84.9	Confident	88.2	Confident	118 Å²	118	32.2 Å²	32.2	46%	0.463	18%	0.178	S	C	.	.			trans	50.4	35.8	-174.6	-66.1	-105.3	0	0	0	112.1	D146 F151 G152 N154	D146-Y149 PolarHBondContact O-N 3.49Å; D146-Y149 WeakPolarHBondContact OD1-CA 3.49Å; D146-Y149 PolarHBondContact OD1-N 2.82Å; Y149-F151 PolarHBondContact O-N 2.77Å; Y149-F151 VanDerWaalsContact O-N 3.07Å; Y149-G152 PolarHBondContact O-N 3.09Å; Y149-N154 HydrophobicContact CD1-CB 4.43Å; Y149-N154 HydrophobicContact CE1-CB 3.67Å
150	K	79.9	Confident	88.1	Confident	81 Å²	81	29.3 Å²	29.3	35%	0.352	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-34.2	-176	-166.9	-179.7	-173.8	-170.1	0	111.7	F69 Q71 N72 D146 D148	F69-K150 HydrophobicContact CB-CD 4.36Å; F69-K150 HydrophobicContact CD1-CB 4.37Å; F69-K150 HydrophobicContact CD1-CD 4.31Å; F69-K150 PolarHBondContact O-NZ 3.49Å; Q71-K150 PolarHBondContact O-NZ 3.07Å; N72-K150 PolarHBondContact OD1-NZ 2.92Å; N72-K150 VanDerWaalsContact OD1-NZ 3.1Å; D146-K150 PolarHBondContact OD1-N 3.29Å; D146-K150 PolarHBondContact OD2-N 3.16Å; D148-K150 PolarHBondContact O-N 2.81Å; D148-K150 VanDerWaalsContact O-N 3.17Å
151	F	83.3	Confident	87.7	Confident	33 Å²	33	30.2 Å²	30.2	15%	0.145	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	19.4	179	-55.5	-63.2	0	0	0	113.8	F69 L74 P80 D146 Y149 Q153 V156	F69-F151 HydrophobicContact CD1-CD2 4.22Å; F69-F151 AromaticContact CD1-CE2 3.68Å; F69-F151 HydrophobicContact CD1-CE2 3.68Å; F69-F151 HydrophobicContact CE1-CD2 4.04Å; F69-F151 AromaticContact CE1-CE2 3.87Å; F69-F151 HydrophobicContact CE1-CE2 3.87Å; L74-F151 HydrophobicContact CD1-CB 3.81Å; L74-F151 HydrophobicContact CD1-CD1 3.13Å; L74-F151 HydrophobicContact CD1-CD2 3.97Å; L74-F151 HydrophobicContact CD1-CE1 3.52Å; L74-F151 HydrophobicContact CD1-CE2 4.3Å; L74-F151 HydrophobicContact CD1-CG 3.35Å; L74-F151 HydrophobicContact CD1-CZ 4.09Å; L74-F151 HydrophobicContact CG-CD1 3.96Å; L74-F151 HydrophobicContact CG-CD2 4.11Å; L74-F151 HydrophobicContact CG-CE1 3.95Å; L74-F151 HydrophobicContact CG-CE2 4.11Å; L74-F151 HydrophobicContact CG-CG 4Å; L74-F151 HydrophobicContact CG-CZ 4.02Å; P80-F151 HydrophobicContact CB-CB 4.11Å; P80-F151 WeakPolarHBondContact CB-O 3.44Å; P80-F151 HydrophobicContact CG-CB 4.49Å; D146-F151 PolarHBondContact OD2-N 3.4Å; Y149-F151 PolarHBondContact O-N 2.77Å; Y149-F151 VanDerWaalsContact O-N 3.07Å; F151-Q153 VanDerWaalsContact C-N 3.29Å; F151-Q153 PolarHBondContact O-N 2.94Å; F151-V156 HydrophobicContact CD2-CG2 3.98Å
152	G	83	Confident	87.3	Confident	53 Å²	53	37.8 Å²	37.8	55%	0.546	20%	0.196	S	C	.	.	S	Bend	trans	81.8	-8.7	170.9	0	0	0	0	0	116	Y149	Y149-G152 PolarHBondContact O-N 3.09Å
153	Q	88.9	Confident	86.9	Confident	73 Å²	73	38.4 Å²	38.4	34%	0.341	20%	0.199	S	C	.	.	S	Bend	trans	-125.5	162.3	174.4	-56.2	-66.5	0.6	0	0	110.3	P80 I81 F82 F151 F155	P80-Q153 HydrophobicContact CB-CB 3.9Å; P80-Q153 HydrophobicContact CB-CG 3.84Å; I81-Q153 VanDerWaalsContact C-CB 3.5Å; I81-Q153 WeakPolarHBondContact O-CB 3.17Å; F82-Q153 VanDerWaalsContact CB-OE1 3.28Å; F151-Q153 VanDerWaalsContact C-N 3.29Å; F151-Q153 PolarHBondContact O-N 2.94Å; Q153-F155 VanDerWaalsContact C-N 3.34Å; Q153-F155 PolarHBondContact O-N 2.96Å
154	N	89.6	Confident	86.6	Confident	3 Å²	3	39.4 Å²	39.4	2%	0.016	20%	0.204	C	C	.	.	S	Bend	trans	-77.5	-15.8	-175	59.8	-15.3	0	0	0	114.4	I81 F82 L83 Q88 Y145 D146 Y149	I81-N154 PolarHBondContact O-OD1 2.92Å; F82-N154 VanDerWaalsContact CA-OD1 3.25Å; F82-N154 WeakPolarHBondContact CA-OD1 3.29Å; L83-N154 PolarHBondContact N-OD1 3.12Å; L83-N154 PolarHBondContact O-ND2 2.94Å; Q88-N154 PolarHBondContact NE2-ND2 2.85Å; Y145-N154 VanDerWaalsContact CD2-O 3.3Å; Y145-N154 WeakPolarHBondContact CD2-O 3.27Å; D146-N154 PolarHBondContact N-O 3.28Å; Y149-N154 HydrophobicContact CD1-CB 4.43Å; Y149-N154 HydrophobicContact CE1-CB 3.67Å
155	F	92.6	Very high	86.2	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	156.4	175.1	-67.8	-84.9	0	0	0	111.6	P80 I81 L83 Q88 T95 I99 L143 I144 Y145 Q153	P80-F155 CarbonylContact C-O 3.43Å; P80-F155 WeakPolarHBondContact CA-O 3.48Å; I81-F155 HydrophobicContact CG2-CB 3.93Å; I81-F155 PolarHBondContact N-O 3.39Å; I81-F155 PolarHBondContact O-N 3.39Å; I81-F155 VanDerWaalsContact O-N 3.16Å; I81-F155 VanDerWaalsContact O-O 3.08Å; L83-F155 HydrophobicContact CB-CD2 3.83Å; L83-F155 HydrophobicContact CB-CE2 3.98Å; L83-F155 HydrophobicContact CD1-CD2 3.84Å; L83-F155 HydrophobicContact CD1-CE2 4.14Å; L83-F155 HydrophobicContact CD1-CG 4.27Å; L83-F155 HydrophobicContact CG-CD2 3.91Å; L83-F155 HydrophobicContact CG-CE2 4.42Å; Q88-F155 HydrophobicContact CG-CE2 4.24Å; T95-F155 HydrophobicContact CG2-CE2 3.97Å; T95-F155 HydrophobicContact CG2-CZ 3.64Å; I99-F155 HydrophobicContact CD1-CE1 4.19Å; I99-F155 HydrophobicContact CG2-CE1 4.08Å; I99-F155 HydrophobicContact CG2-CZ 4.16Å; L143-F155 HydrophobicContact CD2-CB 3.75Å; L143-F155 HydrophobicContact CD2-CD1 3.48Å; L143-F155 VanDerWaalsContact CD2-CD1 3.48Å; L143-F155 HydrophobicContact CD2-CD2 4.33Å; L143-F155 HydrophobicContact CD2-CE1 4.12Å; L143-F155 HydrophobicContact CD2-CG 3.59Å; L143-F155 HydrophobicContact CG-CB 4.26Å; L143-F155 HydrophobicContact CG-CD1 4.33Å; I144-F155 CarbonylContact O-C 3.45Å; I144-F155 VanDerWaalsContact O-CA 3.3Å; I144-F155 WeakPolarHBondContact O-CA 3.18Å; Y145-F155 HydrophobicContact CD2-CD1 4.19Å; Y145-F155 AromaticContact CD2-CE1 3.75Å; Y145-F155 HydrophobicContact CD2-CE1 3.75Å; Y145-F155 AromaticContact CD2-CZ 3.94Å; Y145-F155 HydrophobicContact CD2-CZ 3.94Å; Y145-F155 HydrophobicContact CG-CE1 4.14Å; Q153-F155 VanDerWaalsContact C-N 3.34Å; Q153-F155 PolarHBondContact O-N 2.96Å
156	V	90.8	Very high	85.7	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	123.4	167.9	180	0	0	0	0	108.2	I68 L74 C78 T79 I144 F151	I68-V156 HydrophobicContact CD1-CB 4.43Å; I68-V156 HydrophobicContact CD1-CG1 4.33Å; L74-V156 HydrophobicContact CD2-CG1 3.69Å; L74-V156 HydrophobicContact CD2-CG2 4.4Å; C78-V156 HydrophobicContact CB-CG1 3.8Å; T79-V156 WeakPolarHBondContact O-CA 2.94Å; I144-V156 HydrophobicContact CB-CB 4.44Å; I144-V156 PolarHBondContact N-O 2.85Å; I144-V156 PolarHBondContact O-N 3.41Å; F151-V156 HydrophobicContact CD2-CG2 3.98Å
157	I	92.3	Very high	85.4	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	130.6	175.9	-169.7	168.4	0	0	0	109.9	T79 I81 F126 I133 I141 L143 L159	T79-I157 PolarHBondContact N-O 3.44Å; T79-I157 WeakPolarHBondContact O-CG2 2.78Å; T79-I157 PolarHBondContact O-N 3.27Å; T79-I157 WeakPolarHBondContact OG1-CG2 3.07Å; I81-I157 HydrophobicContact CB-CG2 4.24Å; I81-I157 HydrophobicContact CG2-CB 4.03Å; I81-I157 HydrophobicContact CG2-CG2 4.11Å; F126-I157 HydrophobicContact CD1-CD1 4.32Å; F126-I157 HydrophobicContact CE1-CD1 4.24Å; I133-I157 HydrophobicContact CD1-CD1 4.23Å; I133-I157 HydrophobicContact CG1-CD1 4.25Å; I141-I157 HydrophobicContact CG2-CD1 3.92Å; I141-I157 HydrophobicContact CG2-CG1 3.62Å; L143-I157 HydrophobicContact CD1-CB 4.04Å; L143-I157 HydrophobicContact CD1-CD1 4.05Å; L143-I157 HydrophobicContact CD1-CG1 3.86Å; I157-L159 HydrophobicContact CD1-CD2 4.05Å; I157-L159 HydrophobicContact CG1-CD2 4.08Å; I157-L159 HydrophobicContact CG1-CG 4.23Å; I157-L159 HydrophobicContact CG2-CD1 4.15Å; I157-L159 HydrophobicContact CG2-CG 4.3Å
158	V	90.6	Very high	85.2	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	113.5	178.9	-172.3	0	0	0	0	109.4	L142 I144 T163 K164 I167	L142-V158 HydrophobicContact CB-CB 4.06Å; L142-V158 HydrophobicContact CB-CG2 4.16Å; L142-V158 HydrophobicContact CD2-CG2 4.06Å; L142-V158 HydrophobicContact CG-CG2 4.37Å; L142-V158 PolarHBondContact O-N 3.28Å; I144-V158 HydrophobicContact CD1-CG2 4.06Å; V158-T163 HydrophobicContact CG1-CG2 3.97Å; V158-K164 HydrophobicContact CG1-CB 4.39Å; V158-I167 HydrophobicContact CG1-CD1 4.36Å; V158-I167 HydrophobicContact CG2-CD1 3.98Å
159	L	87.3	Confident	84.9	Confident	31 Å²	31	44.7 Å²	44.7	16%	0.162	23%	0.233	C	C	.	.			trans	-107.1	19.5	-172.1	-65.3	164.9	0	0	0	113	N77 Q129 A132 I133 Y136 I157	N77-L159 PolarHBondContact O-N 3.28Å; Q129-L159 HydrophobicContact CB-CD1 4.46Å; Q129-L159 HydrophobicContact CG-CD1 4.33Å; A132-L159 HydrophobicContact CB-CD1 3.75Å; A132-L159 HydrophobicContact CB-CD2 4.44Å; I133-L159 HydrophobicContact CG1-CD2 3.97Å; Y136-L159 VanDerWaalsContact CD2-C 3.48Å; Y136-L159 WeakPolarHBondContact CD2-O 3.01Å; I157-L159 HydrophobicContact CD1-CD2 4.05Å; I157-L159 HydrophobicContact CG1-CD2 4.08Å; I157-L159 HydrophobicContact CG1-CG 4.23Å; I157-L159 HydrophobicContact CG2-CD1 4.15Å; I157-L159 HydrophobicContact CG2-CG 4.3Å
160	S	86.2	Confident	83.9	Confident	16 Å²	16	41.7 Å²	41.7	11%	0.112	23%	0.228	C	C	.	.			trans	-128	137.6	170.1	171.1	0	0	0	0	111.2	E162 T163 K164	S160-E162 VanDerWaalsContact C-N 3.34Å; S160-E162 PolarHBondContact OG-N 2.9Å; S160-T163 WeakPolarHBondContact CB-OG1 3.44Å; S160-T163 PolarHBondContact OG-N 2.86Å; S160-K164 WeakPolarHBondContact O-CB 3.33Å; S160-K164 PolarHBondContact O-N 3.01Å
161	E	83.6	Confident	82.8	Confident	71 Å²	71	43.8 Å²	43.8	33%	0.332	25%	0.247	S	C	.	.	H	α-helix	trans	-70.6	-32.5	176.1	-167.3	119.4	-129	0	0	111.9	P137 G138 K164 S165	P137-E161 HydrophobicContact CG-CB 4.27Å; G138-E161 WeakPolarHBondContact CA-OE2 3.46Å; G138-E161 PolarHBondContact N-OE2 2.84Å; E161-K164 WeakPolarHBondContact OE1-CE 3.45Å; E161-K164 IonicContact OE1-NZ 2.68Å; E161-K164 PolarHBondContact OE1-NZ 3.44Å; E161-S165 WeakPolarHBondContact O-CB 3.23Å; E161-S165 PolarHBondContact O-N 3.17Å; E161-S165 PolarHBondContact O-OG 2.95Å
162	E	82.6	Confident	80.9	Confident	159 Å²	159	49.5 Å²	49.5	74%	0.743	27%	0.272	S	S	*	.	H	α-helix	trans	-66.7	-49	174.9	-62.5	174.7	176.7	0	0	110.4	S160 K164 S165 L166	S160-E162 VanDerWaalsContact C-N 3.34Å; S160-E162 PolarHBondContact OG-N 2.9Å; E162-K164 PolarHBondContact O-N 2.97Å; E162-S165 PolarHBondContact O-N 3.47Å; E162-L166 WeakPolarHBondContact O-CB 3.47Å; E162-L166 PolarHBondContact O-N 2.84Å
163	T	84	Confident	78.5	Confident	13 Å²	13	55.9 Å²	55.9	8%	0.08	29%	0.288	C	S	.	.	H	α-helix	trans	-64.4	-40.7	177.5	-46.4	0	0	0	0	111	M75 P76 V158 S160 S165 L166 I167	M75-T163 HydrophobicContact CB-CG2 4.21Å; P76-T163 WeakPolarHBondContact O-CG2 3.37Å; P76-T163 PolarHBondContact O-OG1 3.3Å; V158-T163 HydrophobicContact CG1-CG2 3.97Å; S160-T163 WeakPolarHBondContact CB-OG1 3.44Å; S160-T163 PolarHBondContact OG-N 2.86Å; T163-S165 VanDerWaalsContact C-N 3.32Å; T163-S165 PolarHBondContact O-N 3.01Å; T163-L166 PolarHBondContact O-N 2.96Å; T163-I167 HydrophobicContact CG2-CD1 3.93Å; T163-I167 HydrophobicContact CG2-CG1 4.44Å; T163-I167 VanDerWaalsContact O-CG1 3.29Å; T163-I167 WeakPolarHBondContact O-CG1 3.49Å; T163-I167 PolarHBondContact O-N 3.46Å
164	K	85	Confident	75.7	Confident	20 Å²	20	56.3 Å²	56.3	9%	0.087	30%	0.304	C	S	.	.	H	α-helix	trans	-56.2	-47.2	172.5	178	-178.8	71.1	-175.9	0	111.1	L107 Y136 D140 L142 V158 S160 E161 E162 I167 L168	L107-K164 HydrophobicContact CD2-CD 4.13Å; Y136-K164 WeakPolarHBondContact OH-CD 3.31Å; Y136-K164 WeakPolarHBondContact OH-CE 3.35Å; Y136-K164 PolarHBondContact OH-NZ 3.02Å; D140-K164 PolarHBondContact O-NZ 2.88Å; L142-K164 HydrophobicContact CB-CD 4.36Å; L142-K164 HydrophobicContact CB-CG 4.12Å; L142-K164 HydrophobicContact CD2-CG 4.3Å; V158-K164 HydrophobicContact CG1-CB 4.39Å; S160-K164 WeakPolarHBondContact O-CB 3.33Å; S160-K164 PolarHBondContact O-N 3.01Å; E161-K164 WeakPolarHBondContact OE1-CE 3.45Å; E161-K164 IonicContact OE1-NZ 2.68Å; E161-K164 PolarHBondContact OE1-NZ 3.44Å; E162-K164 PolarHBondContact O-N 2.97Å; K164-I167 PolarHBondContact O-N 3.18Å; K164-L168 HydrophobicContact CD-CD1 4.46Å; K164-L168 HydrophobicContact CG-CD1 3.82Å; K164-L168 WeakPolarHBondContact O-CB 3.49Å; K164-L168 WeakPolarHBondContact O-CG 3.43Å; K164-L168 PolarHBondContact O-N 3.08Å
165	S	80	Confident	72.8	Confident	60 Å²	60	62.5 Å²	62.5	42%	0.42	34%	0.341	S	S	.	.	H	α-helix	trans	-66.7	-37.3	-179.4	-58.1	0	0	0	0	112.1	E161 E162 T163 N169	E161-S165 WeakPolarHBondContact O-CB 3.23Å; E161-S165 PolarHBondContact O-N 3.17Å; E161-S165 PolarHBondContact O-OG 2.95Å; E162-S165 PolarHBondContact O-N 3.47Å; T163-S165 VanDerWaalsContact C-N 3.32Å; T163-S165 PolarHBondContact O-N 3.01Å; S165-N169 CarbonylContact O-C 3.55Å; S165-N169 WeakPolarHBondContact O-CA 3.42Å; S165-N169 WeakPolarHBondContact O-CB 3.33Å; S165-N169 PolarHBondContact O-N 2.87Å
166	L	81.6	Confident	69.6	Low	77 Å²	77	69.7 Å²	69.7	40%	0.403	38%	0.38	S	S	.	.	H	α-helix	trans	-71.4	-34	178.9	-160.7	128.1	0	0	0	112.7	M75 E162 T163 N169 P170	M75-L166 HydrophobicContact CE-CD2 3.62Å; E162-L166 WeakPolarHBondContact O-CB 3.47Å; E162-L166 PolarHBondContact O-N 2.84Å; T163-L166 PolarHBondContact O-N 2.96Å; L166-N169 CarbonylContact O-C 3.58Å; L166-P170 WeakPolarHBondContact O-CA 3.36Å
167	I	80.6	Confident	66.6	Low	0 Å²	0	73 Å²	73	0%	0	42%	0.415	C	S	.	.	H	α-helix	trans	-71.7	-46.2	174.2	-67.7	167.2	0	0	0	110.5	P65 L66 I68 I105 L142 I144 V158 T163 K164	P65-I167 CarbonylContact C-O 3.59Å; P65-I167 VanDerWaalsContact CA-O 3.23Å; P65-I167 WeakPolarHBondContact CA-O 3.45Å; P65-I167 WeakPolarHBondContact CB-O 3.43Å; L66-I167 PolarHBondContact N-O 3.05Å; I68-I167 HydrophobicContact CG2-CD1 3.89Å; I68-I167 HydrophobicContact CG2-CG1 3.97Å; I105-I167 HydrophobicContact CD1-CG2 4.4Å; L142-I167 HydrophobicContact CD2-CB 4.36Å; L142-I167 HydrophobicContact CD2-CD1 4.5Å; L142-I167 HydrophobicContact CD2-CG2 4.06Å; I144-I167 HydrophobicContact CD1-CD1 4.17Å; I144-I167 HydrophobicContact CD1-CG2 4.33Å; V158-I167 HydrophobicContact CG1-CD1 4.36Å; V158-I167 HydrophobicContact CG2-CD1 3.98Å; T163-I167 HydrophobicContact CG2-CD1 3.93Å; T163-I167 HydrophobicContact CG2-CG1 4.44Å; T163-I167 VanDerWaalsContact O-CG1 3.29Å; T163-I167 WeakPolarHBondContact O-CG1 3.49Å; T163-I167 PolarHBondContact O-N 3.46Å; K164-I167 PolarHBondContact O-N 3.18Å
168	L	79.3	Confident	63.3	Low	36 Å²	36	81.5 Å²	81.5	19%	0.188	45%	0.454	C	S	.	.	H	α-helix	trans	-72.4	-37.8	-178.9	-67.1	174.4	0	0	0	112	I105 L142 K164	I105-L168 HydrophobicContact CG2-CD2 4.42Å; L142-L168 HydrophobicContact CD1-CD2 4.17Å; L142-L168 HydrophobicContact CD2-CD2 4.49Å; L142-L168 HydrophobicContact CD2-CG 4.41Å; K164-L168 HydrophobicContact CD-CD1 4.46Å; K164-L168 HydrophobicContact CG-CD1 3.82Å; K164-L168 WeakPolarHBondContact O-CB 3.49Å; K164-L168 WeakPolarHBondContact O-CG 3.43Å; K164-L168 PolarHBondContact O-N 3.08Å
169	N	76.5	Confident	60.2	Low	95 Å²	95	85.9 Å²	85.9	51%	0.508	49%	0.485	S	S	.	.	S	Bend	trans	-131.5	81	-177.1	-61.4	-31.1	0	0	0	110.1	S165 L166 V171	S165-N169 CarbonylContact O-C 3.55Å; S165-N169 WeakPolarHBondContact O-CA 3.42Å; S165-N169 WeakPolarHBondContact O-CB 3.33Å; S165-N169 PolarHBondContact O-N 2.87Å; L166-N169 CarbonylContact O-C 3.58Å; N169-V171 PolarHBondContact O-N 2.79Å; N169-V171 VanDerWaalsContact O-N 3.1Å
170	P	63.9	Low	57.2	Low	55 Å²	55	92.6 Å²	92.6	36%	0.357	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-62.3	116.2	176.1	24.1	-32.4	0	0	0	110.4	L66 L166 K172	L66-P170 HydrophobicContact CD1-CB 3.74Å; L66-P170 HydrophobicContact CD1-CG 4.4Å; L166-P170 WeakPolarHBondContact O-CA 3.36Å; P170-K172 PolarHBondContact O-N 3.38Å
171	V	56.8	Low	54.2	Low	124 Å²	124	100.4 Å²	100.4	75%	0.752	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-69.8	123.6	178.4	-178.3	0	0	0	0	108.9	N169 Q173	N169-V171 PolarHBondContact O-N 2.79Å; N169-V171 VanDerWaalsContact O-N 3.1Å; V171-Q173 PolarHBondContact O-N 3.35Å
172	K	44.2	Very low	51.5	Low	154 Å²	154	104.3 Å²	104.3	67%	0.67	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-57	118.9	170.6	-68.5	-174.5	172.1	-167.3	0	108	P170 A174 E216	P170-K172 PolarHBondContact O-N 3.38Å; K172-A174 VanDerWaalsContact C-N 3.26Å; K172-A174 PolarHBondContact O-N 3.01Å; K172-E216 IonicContact NZ-OE1 2.87Å; K172-E216 PolarHBondContact NZ-OE1 2.97Å; K172-E216 IonicContact NZ-OE2 3.51Å
173	Q	31.7	Very low	48.8	Very low	186 Å²	186	100.7 Å²	100.7	87%	0.869	57%	0.565	S	S	*	*			trans	-62.4	95.1	167.4	-79	179.2	-14.7	0	0	107.8	V171 V175	V171-Q173 PolarHBondContact O-N 3.35Å; Q173-V175 PolarHBondContact O-N 2.96Å; Q173-V175 VanDerWaalsContact O-N 3.12Å
174	A	29.8	Very low	46	Very low	82 Å²	82	107.8 Å²	107.8	68%	0.678	60%	0.603	S	S	*	*			trans	-67.6	101.6	163.7	0	0	0	0	0	105.9	K172 D176	K172-A174 VanDerWaalsContact C-N 3.26Å; K172-A174 PolarHBondContact O-N 3.01Å; A174-D176 PolarHBondContact O-N 3.37Å
175	V	30	Very low	43.1	Very low	133 Å²	133	110.3 Å²	110.3	81%	0.806	63%	0.634	S	S	*	*			trans	-70.4	91.9	166.8	179.4	0	0	0	0	105.7	Q173 G177	Q173-V175 PolarHBondContact O-N 2.96Å; Q173-V175 VanDerWaalsContact O-N 3.12Å; V175-G177 PolarHBondContact O-N 3.31Å
176	D	26	Very low	40.5	Very low	151 Å²	151	115.4 Å²	115.4	81%	0.807	66%	0.657	S	S	*	*			trans	-58.9	115.1	162	-87.3	-32.5	0	0	0	107.9	A174	A174-D176 PolarHBondContact O-N 3.37Å
177	G	26.5	Very low	38	Very low	71 Å²	71	119.1 Å²	119.1	73%	0.732	67%	0.674	S	S	*	*			trans	-145	70.1	175.5	0	0	0	0	0	108.5	V175	V175-G177 PolarHBondContact O-N 3.31Å
178	Q	23.3	Very low	35.5	Very low	178 Å²	178	124.9 Å²	124.9	83%	0.832	71%	0.705	S	S	*	*			trans	-63.8	156	165	-75.4	177.9	-14.5	0	0	110.8
179	S	25	Very low	33	Very low	92 Å²	92	130 Å²	130	64%	0.643	73%	0.732	S	S	*	*			trans	76.5	115.8	149.8	54.6	0	0	0	0	119.6
180	E	24.2	Very low	30.7	Very low	172 Å²	172	130.7 Å²	130.7	80%	0.804	74%	0.744	S	S	*	*				83.7	101.7	127.9	-66	169.8	-171.4	0	0	116
181	H	23.2	Very low	28.9	Very low	179 Å²	179	135.1 Å²	135.1	83%	0.829	76%	0.764	S	S	*	*				56.9	90.1	88.4	-83.1	-66.5	0	0	0	112.7
182	D	28.2	Very low	27.6	Very low	153 Å²	153	136.3 Å²	136.3	82%	0.818	77%	0.766	S	S	*	*			trans	-163.8	100.7	139.3	-90.5	-30.3	0	0	0	106.1
183	S	24	Very low	26.8	Very low	83 Å²	83	135.6 Å²	135.6	58%	0.58	77%	0.77	S	S	*	*				58.8	115.7	74.4	92.9	0	0	0	0	113.2
184	N	25.2	Very low	26.8	Very low	163 Å²	163	134.4 Å²	134.4	87%	0.872	77%	0.769	S	S	*	*			trans	88.4	121.6	158.5	-49.3	-36.4	0	0	0	118.3
185	G	26	Very low	26.7	Very low	73 Å²	73	138.7 Å²	138.7	75%	0.753	78%	0.775	S	S	*	*			trans	137.6	45.2	146.6	0	0	0	0	0	116.1	M187	G185-M187 PolarHBondContact O-N 3.45Å
186	D	24.6	Very low	26.6	Very low	167 Å²	167	138.4 Å²	138.4	89%	0.893	77%	0.769	S	S	*	*			trans	-76	100	163	-147.3	5.3	0	0	0	107.6
187	M	29.1	Very low	26.8	Very low	154 Å²	154	140 Å²	140	76%	0.759	77%	0.769	S	S	*	*			trans	-137.9	102.5	172.4	-82.2	-73.6	-91	0	0	108.5	G185	G185-M187 PolarHBondContact O-N 3.45Å
188	N	27.5	Very low	26.8	Very low	121 Å²	121	143.7 Å²	143.7	65%	0.647	77%	0.77	S	S	*	*			trans	50.4	132.9	133.3	-61.5	-13.9	0	0	0	120.6
189	D	26.6	Very low	27.3	Very low	143 Å²	143	143 Å²	143	77%	0.765	77%	0.767	S	S	*	*			trans	71.1	107.7	142.6	-62.5	-23.5	0	0	0	117.3
190	S	29.2	Very low	27.5	Very low	110 Å²	110	147.3 Å²	147.3	77%	0.769	78%	0.777	S	S	*	*				172.3	126.5	93.2	-71.9	0	0	0	0	110.8	N192	S190-N192 PolarHBondContact O-N 3.33Å
191	I	25.8	Very low	27.8	Very low	149 Å²	149	149.7 Å²	149.7	76%	0.764	78%	0.78	S	S	*	*			trans	-54.8	123.1	160.5	-69.2	156.5	0	0	0	108.4
192	N	30.5	Very low	28.2	Very low	149 Å²	149	150.9 Å²	150.9	80%	0.797	78%	0.783	S	S	*	*			trans	-135.1	109.8	152.9	-98.9	-25.6	0	0	0	107.4	S190 D194	S190-N192 PolarHBondContact O-N 3.33Å; N192-D194 PolarHBondContact O-N 2.98Å
193	D	26	Very low	28.4	Very low	139 Å²	139	152 Å²	152	74%	0.743	78%	0.783	S	S	*	*			trans	-59	118.6	160.2	-63.5	-53.8	0	0	0	108.5
194	D	32.6	Very low	28.9	Very low	161 Å²	161	153.4 Å²	153.4	86%	0.861	79%	0.793	S	S	*	*			trans	-130.3	106.3	156.5	-90.1	-36.7	0	0	0	107.4	N192	N192-D194 PolarHBondContact O-N 2.98Å
195	E	26.7	Very low	29.5	Very low	171 Å²	171	150 Å²	150	80%	0.799	78%	0.782	S	S	*	*			trans	-60.2	156.2	169.9	-67.3	176.6	143	0	0	111.7
196	D	28.7	Very low	30.2	Very low	128 Å²	128	154.6 Å²	154.6	68%	0.684	79%	0.789	S	S	*	*			trans	67.3	83.6	146.4	-61.4	-15.4	0	0	0	119.8
197	K	30.2	Very low	30.9	Very low	184 Å²	184	153.5 Å²	153.5	80%	0.8	78%	0.782	S	S	*	*			trans	-137	81.4	137.6	-72.4	-165.8	-179.8	179.5	0	111.3	E199	K197-E199 VanDerWaalsContact C-N 3.3Å; K197-E199 PolarHBondContact O-N 2.88Å; K197-E199 VanDerWaalsContact O-N 3.15Å
198	I	27.1	Very low	31.1	Very low	148 Å²	148	151.9 Å²	151.9	76%	0.759	79%	0.785	S	S	*	*			trans	-74.9	89	160.2	-62.1	168.8	0	0	0	105.9
199	E	32.9	Very low	31.8	Very low	165 Å²	165	155.7 Å²	155.7	77%	0.771	80%	0.796	S	S	*	*			trans	-81.3	137.2	170	-80.1	-176.5	179.9	0	0	110.4	K197	K197-E199 VanDerWaalsContact C-N 3.3Å; K197-E199 PolarHBondContact O-N 2.88Å; K197-E199 VanDerWaalsContact O-N 3.15Å
200	E	29.5	Very low	32.5	Very low	181 Å²	181	156.4 Å²	156.4	85%	0.846	80%	0.799	S	S	*	*			trans	-57.2	139.1	-163.6	-70.1	165.8	145.7	0	0	115.5	K202	E200-K202 PolarHBondContact O-N 3.38Å
201	Y	29.4	Very low	33.1	Very low	222 Å²	222	159.6 Å²	159.6	87%	0.871	80%	0.8	S	S	*	*			trans	-47.3	109.1	164.9	-66.3	-95.3	0	0	0	112.2
202	K	32.8	Very low	33.8	Very low	204 Å²	204	161.8 Å²	161.8	89%	0.887	80%	0.803	S	S	*	*			trans	-93.3	104.8	158.6	-81.6	-175.1	177	175.6	0	109.9	E200	E200-K202 PolarHBondContact O-N 3.38Å
203	E	33.1	Very low	34.3	Very low	177 Å²	177	158.4 Å²	158.4	83%	0.827	79%	0.791	S	S	*	*			trans	5.6	107.6	149	-67.3	173.7	158.2	0	0	116.8
204	S	33	Very low	35.3	Very low	113 Å²	113	161.9 Å²	161.9	79%	0.79	80%	0.8	S	S	*	*				26.6	99.2	122.8	56.6	0	0	0	0	117.3
205	S	38.6	Very low	36.1	Very low	90 Å²	90	158.4 Å²	158.4	63%	0.629	79%	0.789	S	S	*	*			trans	-124.3	128.3	143.8	74.8	0	0	0	0	108.1	L207	S205-L207 PolarHBondContact O-N 3.19Å
206	D	40	Very low	37	Very low	171 Å²	171	157.5 Å²	157.5	91%	0.914	78%	0.784	S	S	*	*			trans	-59.2	57.8	-178.4	-66	-40.9	0	0	0	114.4	C208	D206-C208 PolarHBondContact O-N 3.27Å
207	L	38.8	Very low	37.7	Very low	143 Å²	143	160.2 Å²	160.2	75%	0.749	79%	0.793	S	S	*	*			trans	-88.2	92.9	173.4	-70.3	175.5	0	0	0	108.4	S205 F209	S205-L207 PolarHBondContact O-N 3.19Å; L207-F209 PolarHBondContact O-N 2.81Å
208	C	34.9	Very low	38.5	Very low	120 Å²	120	154.5 Å²	154.5	81%	0.811	79%	0.786	S	S	*	*			trans	-48	105.6	165.4	-165.5	0	0	0	0	108.6	D206 L210	D206-C208 PolarHBondContact O-N 3.27Å; C208-L210 PolarHBondContact O-N 3.06Å
209	F	41.7	Very low	40.1	Very low	201 Å²	201	156.2 Å²	156.2	88%	0.882	78%	0.783	S	S	*	*			trans	-71.8	99.4	-177.4	-138.5	-89.4	0	0	0	107.9	L207 F211	L207-F209 PolarHBondContact O-N 2.81Å; F209-F211 PolarHBondContact O-N 2.79Å
210	L	42.1	Very low	41.3	Very low	158 Å²	158	155.3 Å²	155.3	83%	0.827	78%	0.782	S	S	*	*			trans	-64.3	107.9	174.3	-89.5	155.6	0	0	0	108.9	C208 K212	C208-L210 PolarHBondContact O-N 3.06Å; L210-K212 PolarHBondContact O-N 2.94Å
211	F	41.5	Very low	42.6	Very low	178 Å²	178	152.8 Å²	152.8	78%	0.781	77%	0.77	S	S	*	*			trans	-56.9	106.6	173.9	-179.8	-97.2	0	0	0	109.9	F209	F209-F211 PolarHBondContact O-N 2.79Å
212	K	40.2	Very low	44.5	Very low	194 Å²	194	149.7 Å²	149.7	84%	0.843	77%	0.768	S	S	*	*			trans	-93.6	102	173	-141.2	175.4	-173.4	179	0	107.4	L210 K214	L210-K212 PolarHBondContact O-N 2.94Å; K212-K214 PolarHBondContact O-N 2.82Å
213	S	40.3	Very low	46.1	Very low	78 Å²	78	141.6 Å²	141.6	55%	0.545	74%	0.743	S	S	.	*			trans	-51.8	126.2	177.5	-177.1	0	0	0	0	110.4	S215	S213-S215 VanDerWaalsContact C-N 3.3Å; S213-S215 PolarHBondContact O-N 2.89Å
214	K	47	Very low	47.7	Very low	212 Å²	212	135.5 Å²	135.5	92%	0.922	72%	0.719	S	S	*	*			trans	-76.7	82.9	169.8	-78.2	-176.3	175.6	-179.2	0	108.3	K212	K212-K214 PolarHBondContact O-N 2.82Å
215	S	49.1	Very low	49.4	Very low	89 Å²	89	134.5 Å²	134.5	62%	0.622	70%	0.702	S	S	*	*			trans	-114.5	92.7	172	61.5	0	0	0	0	110.5	S213	S213-S215 VanDerWaalsContact C-N 3.3Å; S213-S215 PolarHBondContact O-N 2.89Å
216	E	46.5	Very low	50.8	Low	152 Å²	152	135.2 Å²	135.2	71%	0.71	70%	0.699	S	S	*	*			trans	-141	45.5	152.9	-72.7	-161.5	172.5	0	0	109.6	K172	K172-E216 IonicContact NZ-OE1 2.87Å; K172-E216 PolarHBondContact NZ-OE1 2.97Å; K172-E216 IonicContact NZ-OE2 3.51Å
217	H	42.9	Very low	52.1	Low	185 Å²	185	132.6 Å²	132.6	86%	0.856	68%	0.681	S	S	*	*	S	Bend	trans	-105.2	111.4	148.9	-75.6	32.2	0	0	0	104.8	W219	H217-W219 PolarHBondContact O-N 3.36Å
218	G	48.1	Very low	53.6	Low	64 Å²	64	130 Å²	130	66%	0.66	67%	0.667	S	S	*	*			trans	-52.7	128	174.7	0	0	0	0	0	108.2	I220	G218-I220 PolarHBondContact O-N 3.49Å; G218-I220 VanDerWaalsContact O-N 3.09Å
219	W	59.7	Low	55.2	Low	183 Å²	183	127.1 Å²	127.1	69%	0.693	65%	0.646	S	S	*	*			trans	-53.1	118.6	174	179.6	-81.3	0	0	0	108.3	H217 E221	H217-W219 PolarHBondContact O-N 3.36Å; W219-E221 PolarHBondContact O-N 3.07Å
220	I	57.9	Low	56.6	Low	146 Å²	146	124.9 Å²	124.9	75%	0.749	64%	0.638	S	S	*	*			trans	-87.8	109.2	175.2	-60.8	173.8	0	0	0	106.3	G218 L222	G218-I220 PolarHBondContact O-N 3.49Å; G218-I220 VanDerWaalsContact O-N 3.09Å; I220-L222 PolarHBondContact O-N 2.97Å
221	E	58.1	Low	57.8	Low	128 Å²	128	121 Å²	121	60%	0.598	62%	0.617	S	S	*	*			trans	-65.8	116.5	-174.8	-141	179.4	166.2	0	0	110.7	W219	W219-E221 PolarHBondContact O-N 3.07Å
222	L	68	Low	59.2	Low	157 Å²	157	116.7 Å²	116.7	82%	0.822	60%	0.602	S	S	*	*			trans	-114.5	16.6	175	-66.2	175.3	0	0	0	112.6	I220	I220-L222 PolarHBondContact O-N 2.97Å
223	G	67.2	Low	60.3	Low	35 Å²	35	114 Å²	114	36%	0.361	60%	0.602	S	S	.	*	S	Bend	trans	97.7	-10.5	173.3	0	0	0	0	0	116.2	E225 N226	G223-E225 PolarHBondContact O-N 2.91Å; G223-N226 PolarHBondContact O-N 2.76Å
224	S	65.5	Low	61.8	Low	49 Å²	49	117.4 Å²	117.4	34%	0.343	61%	0.607	S	S	.	*	H	α-helix	trans	-64.9	-22.2	178.3	38.6	0	0	0	0	114	N226 E227 I228	S224-N226 VanDerWaalsContact C-N 3.35Å; S224-E227 PolarHBondContact O-N 3.07Å; S224-I228 VanDerWaalsContact O-CG1 3.27Å; S224-I228 WeakPolarHBondContact O-CG1 3.35Å; S224-I228 PolarHBondContact O-N 2.95Å
225	E	68.9	Low	62.8	Low	91 Å²	91	113.5 Å²	113.5	43%	0.425	59%	0.592	S	S	.	*	H	α-helix	trans	-71.2	-29.4	177.2	-160.9	171.7	-171.1	0	0	112.7	G223 E227 I228 T229	G223-E225 PolarHBondContact O-N 2.91Å; E225-E227 VanDerWaalsContact C-N 3.32Å; E225-E227 PolarHBondContact O-N 3.43Å; E225-I228 PolarHBondContact O-N 2.99Å; E225-T229 HydrophobicContact CG-CG2 4.43Å; E225-T229 WeakPolarHBondContact O-CB 3.34Å; E225-T229 WeakPolarHBondContact O-CG2 3.36Å; E225-T229 PolarHBondContact O-N 2.83Å; E225-T229 PolarHBondContact O-OG1 3.23Å
226	N	69.4	Low	64.1	Low	105 Å²	105	116 Å²	116	56%	0.561	60%	0.604	S	S	*	*	H	α-helix	trans	-63.4	-41.2	172.4	-77	-17.2	0	0	0	111	G223 S224 T229 E230	G223-N226 PolarHBondContact O-N 2.76Å; S224-N226 VanDerWaalsContact C-N 3.35Å; N226-T229 VanDerWaalsContact CA-OG1 3.3Å; N226-T229 WeakPolarHBondContact CA-OG1 3.46Å; N226-T229 PolarHBondContact O-N 3.39Å; N226-T229 PolarHBondContact O-OG1 3.34Å; N226-E230 WeakPolarHBondContact O-CB 3.28Å; N226-E230 WeakPolarHBondContact O-CG 3.5Å; N226-E230 PolarHBondContact O-N 3.27Å
227	E	66.9	Low	65.3	Low	117 Å²	117	117.7 Å²	117.7	55%	0.547	60%	0.604	S	S	.	*	H	α-helix	trans	-66.4	-42	175.7	-61	179.2	174.5	0	0	111.3	S224 E225 E230 M231	S224-E227 PolarHBondContact O-N 3.07Å; E225-E227 VanDerWaalsContact C-N 3.32Å; E225-E227 PolarHBondContact O-N 3.43Å; E227-E230 PolarHBondContact O-N 2.93Å; E227-M231 VanDerWaalsContact O-CB 3.3Å; E227-M231 WeakPolarHBondContact O-CB 3.21Å; E227-M231 WeakPolarHBondContact O-CG 3.41Å; E227-M231 PolarHBondContact O-N 2.68Å
228	I	68.9	Low	66.7	Low	88 Å²	88	113.9 Å²	113.9	45%	0.451	60%	0.598	S	S	.	*	H	α-helix	trans	-65.5	-39.8	177.3	-65.3	164.6	0	0	0	111.1	S224 E225 M231 N232	S224-I228 VanDerWaalsContact O-CG1 3.27Å; S224-I228 WeakPolarHBondContact O-CG1 3.35Å; S224-I228 PolarHBondContact O-N 2.95Å; E225-I228 PolarHBondContact O-N 2.99Å; I228-M231 WeakPolarHBondContact O-CB 3.42Å; I228-M231 PolarHBondContact O-N 3.34Å; I228-N232 PolarHBondContact O-N 3.24Å
229	T	70.5	Confident	67.8	Low	60 Å²	60	118.5 Å²	118.5	37%	0.368	60%	0.6	S	S	.	*	H	α-helix	trans	-72.2	-35.4	178.2	45.5	0	0	0	0	112.4	E225 N226 M231 N232	E225-T229 HydrophobicContact CG-CG2 4.43Å; E225-T229 WeakPolarHBondContact O-CB 3.34Å; E225-T229 WeakPolarHBondContact O-CG2 3.36Å; E225-T229 PolarHBondContact O-N 2.83Å; E225-T229 PolarHBondContact O-OG1 3.23Å; N226-T229 VanDerWaalsContact CA-OG1 3.3Å; N226-T229 WeakPolarHBondContact CA-OG1 3.46Å; N226-T229 PolarHBondContact O-N 3.39Å; N226-T229 PolarHBondContact O-OG1 3.34Å; T229-M231 VanDerWaalsContact C-N 3.27Å; T229-M231 PolarHBondContact O-N 2.9Å; T229-N232 PolarHBondContact O-N 3.11Å
230	E	71.1	Confident	68.4	Low	154 Å²	154	115.1 Å²	115.1	72%	0.72	60%	0.599	S	S	*	*	H	α-helix	trans	-69.8	-23.7	170.3	-79.4	-171.5	167.9	0	0	113.3	N226 E227 K288	N226-E230 WeakPolarHBondContact O-CB 3.28Å; N226-E230 WeakPolarHBondContact O-CG 3.5Å; N226-E230 PolarHBondContact O-N 3.27Å; E227-E230 PolarHBondContact O-N 2.93Å; E230-K288 PolarHBondContact O-NZ 2.76Å
231	M	65.9	Low	68.3	Low	75 Å²	75	117.4 Å²	117.4	37%	0.369	60%	0.6	S	S	.	*	H	α-helix	trans	-81.6	-27.2	172.9	-74.3	-87.7	-70.3	0	0	112.5	E227 I228 T229 T233 K288	E227-M231 VanDerWaalsContact O-CB 3.3Å; E227-M231 WeakPolarHBondContact O-CB 3.21Å; E227-M231 WeakPolarHBondContact O-CG 3.41Å; E227-M231 PolarHBondContact O-N 2.68Å; I228-M231 WeakPolarHBondContact O-CB 3.42Å; I228-M231 PolarHBondContact O-N 3.34Å; T229-M231 VanDerWaalsContact C-N 3.27Å; T229-M231 PolarHBondContact O-N 2.9Å; M231-T233 PolarHBondContact O-N 3.28Å; M231-K288 HydrophobicContact CE-CB 4.18Å; M231-K288 HydrophobicContact SD-CB 3.68Å; M231-K288 HydrophobicContact SD-CD 3.54Å; M231-K288 VanDerWaalsContact SD-CD 3.54Å; M231-K288 HydrophobicContact SD-CG 4.22Å
232	N	70.6	Confident	68.4	Low	89 Å²	89	115.7 Å²	115.7	48%	0.476	60%	0.598	S	S	.	*			trans	-67.5	126.7	-179.4	-87.2	-23.5	0	0	0	111.3	I228 T229 F234	I228-N232 PolarHBondContact O-N 3.24Å; T229-N232 PolarHBondContact O-N 3.11Å; N232-F234 HydrophobicContact CB-CE2 3.93Å; N232-F234 HydrophobicContact CB-CZ 3.89Å; N232-F234 WeakPolarHBondContact O-CD2 3.45Å
233	T	64	Low	68.1	Low	136 Å²	136	114.2 Å²	114.2	83%	0.834	59%	0.59	S	S	*	*			trans	-89	113.8	175.5	43.1	0	0	0	0	109.2	M231	M231-T233 PolarHBondContact O-N 3.28Å
234	F	71.6	Confident	68	Low	151 Å²	151	121.5 Å²	121.5	66%	0.662	61%	0.612	S	S	*	*			trans	-93.8	134.2	174.6	-58.7	-82.8	0	0	0	109.8	N232 T236	N232-F234 HydrophobicContact CB-CE2 3.93Å; N232-F234 HydrophobicContact CB-CZ 3.89Å; N232-F234 WeakPolarHBondContact O-CD2 3.45Å; F234-T236 PolarHBondContact O-N 3.25Å
235	E	69	Low	68.3	Low	129 Å²	129	127.5 Å²	127.5	60%	0.603	64%	0.635	S	S	*	*			trans	-64.4	107.8	173.4	-80	-179.3	-171.9	0	0	110	R237 K239	E235-R237 VanDerWaalsContact C-N 3.28Å; E235-R237 PolarHBondContact O-N 3.44Å; E235-K239 WeakPolarHBondContact OE1-CD 3.38Å; E235-K239 WeakPolarHBondContact OE1-CE 3.47Å; E235-K239 IonicContact OE1-NZ 2.59Å; E235-K239 PolarHBondContact OE1-NZ 3.46Å
236	T	75.4	Confident	68.2	Low	142 Å²	142	128.8 Å²	128.8	87%	0.871	64%	0.636	S	S	*	*			trans	-79.6	-10.9	-179.9	54.6	0	0	0	0	113.5	F234	F234-T236 PolarHBondContact O-N 3.25Å
237	R	71.9	Confident	68.8	Low	187 Å²	187	127 Å²	127	71%	0.706	63%	0.629	S	S	*	*	S	Bend	trans	-148.4	149.2	178.6	56.9	177.7	-94	-176.1	-7.8	110.9	E235 K239	E235-R237 VanDerWaalsContact C-N 3.28Å; E235-R237 PolarHBondContact O-N 3.44Å; R237-K239 PolarHBondContact O-N 3.44Å
238	S	73.3	Confident	69.1	Low	106 Å²	106	132.3 Å²	132.3	74%	0.741	64%	0.644	S	S	*	*			trans	-59.4	133.3	173.4	-50.6	0	0	0	0	111.1	V240	S238-V240 PolarHBondContact O-N 3.33Å
239	K	70.4	Confident	69.7	Low	161 Å²	161	136.7 Å²	136.7	70%	0.7	66%	0.66	S	S	*	*			trans	-61.8	129.2	172.8	-77.7	169.3	164.6	157.4	0	110.3	E235 R237	E235-K239 WeakPolarHBondContact OE1-CD 3.38Å; E235-K239 WeakPolarHBondContact OE1-CE 3.47Å; E235-K239 IonicContact OE1-NZ 2.59Å; E235-K239 PolarHBondContact OE1-NZ 3.46Å; R237-K239 PolarHBondContact O-N 3.44Å
240	V	72.6	Confident	70	Confident	111 Å²	111	137.4 Å²	137.4	67%	0.673	66%	0.659	S	S	*	*			trans	-91.8	113.8	170.9	179.2	0	0	0	0	107.1	S238	S238-V240 PolarHBondContact O-N 3.33Å
241	Y	56.3	Low	69.8	Low	194 Å²	194	137.2 Å²	137.2	76%	0.761	66%	0.656	S	S	*	*			trans	-99	130	169.7	69	-85.5	0	0	0	108.5	I243	Y241-I243 HydrophobicContact CD2-CD1 4.08Å; Y241-I243 HydrophobicContact CD2-CG1 4.13Å; Y241-I243 HydrophobicContact CE2-CD1 4.14Å
242	T	60.1	Low	70	Confident	92 Å²	92	137.4 Å²	137.4	56%	0.564	68%	0.678	S	S	*	*			trans	-119.2	119.9	175.5	-52.3	0	0	0	0	107.7	F244	T242-F244 HydrophobicContact CG2-CD2 4.49Å; T242-F244 HydrophobicContact CG2-CE1 4.12Å; T242-F244 HydrophobicContact CG2-CE2 3.86Å; T242-F244 HydrophobicContact CG2-CZ 3.65Å
243	I	60.6	Low	70.4	Confident	126 Å²	126	136 Å²	136	65%	0.646	68%	0.675	S	S	*	*			trans	-100.7	113.9	179	-63.4	171.4	0	0	0	108.3	Y241	Y241-I243 HydrophobicContact CD2-CD1 4.08Å; Y241-I243 HydrophobicContact CD2-CG1 4.13Å; Y241-I243 HydrophobicContact CE2-CD1 4.14Å
244	F	66.2	Low	70.9	Confident	188 Å²	188	136.3 Å²	136.3	83%	0.825	68%	0.676	S	S	*	*			trans	-89.9	114.3	169.6	-59.9	-79.9	0	0	0	109	T242	T242-F244 HydrophobicContact CG2-CD2 4.49Å; T242-F244 HydrophobicContact CG2-CE1 4.12Å; T242-F244 HydrophobicContact CG2-CE2 3.86Å; T242-F244 HydrophobicContact CG2-CZ 3.65Å
245	Q	71.2	Confident	71	Confident	176 Å²	176	134.8 Å²	134.8	82%	0.822	67%	0.674	S	S	*	*			trans	-114.8	128.3	176.7	45.3	178.2	-20.6	0	0	109.4
246	R	67.2	Low	71.1	Confident	118 Å²	118	137.6 Å²	137.6	45%	0.445	69%	0.687	S	S	.	*			trans	-126.8	134.9	174.1	-178.1	178.9	-173.5	178.6	0	109.1	R248 E250 F251 S253	R246-R248 PolarHBondContact O-N 3.45Å; R246-E250 HydrophobicContact CG-CB 4.16Å; R246-E250 VanDerWaalsContact CZ-O 3.26Å; R246-E250 VanDerWaalsContact NE-CB 3.33Å; R246-E250 IonicContact NE-OE2 3.07Å; R246-E250 PolarHBondContact NH2-O 2.98Å; R246-F251 HydrophobicContact CB-CD2 4.41Å; R246-F251 HydrophobicContact CB-CE2 3.92Å; R246-F251 HydrophobicContact CG-CD2 4.32Å; R246-F251 HydrophobicContact CG-CE2 4.29Å; R246-S253 PolarHBondContact NH2-OG 3.33Å
247	P	81.3	Confident	71	Confident	66 Å²	66	137.8 Å²	137.8	43%	0.429	68%	0.683	S	S	.	*			trans	-55.4	128.5	175.3	-23.9	33.2	0	0	0	111.1	K249 E250	P247-K249 HydrophobicContact CB-CG 4.14Å; P247-K249 PolarHBondContact O-N 2.96Å; P247-E250 HydrophobicContact CB-CG 4.27Å; P247-E250 WeakPolarHBondContact O-CB 3.49Å; P247-E250 PolarHBondContact O-N 3.1Å
248	R	74	Confident	71	Confident	229 Å²	229	135.8 Å²	135.8	86%	0.864	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-55.6	-29.5	-175.4	-171.1	166.3	178.2	106	-3.1	113.9	R246 E250 F251	R246-R248 PolarHBondContact O-N 3.45Å; R248-E250 PolarHBondContact O-N 3.42Å; R248-F251 PolarHBondContact O-N 2.93Å
249	K	80.4	Confident	70.6	Confident	181 Å²	181	139 Å²	139	79%	0.787	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-63.2	-18.4	175.4	67.9	179.8	-179.1	175.4	0	114.1	P247	P247-K249 HydrophobicContact CB-CG 4.14Å; P247-K249 PolarHBondContact O-N 2.96Å
250	E	76.5	Confident	70.2	Confident	75 Å²	75	136.3 Å²	136.3	35%	0.35	68%	0.68	S	S	.	*	G	3₁₀ helix	trans	-97.1	-13.2	-178.4	-60.1	179.6	-174.1	0	0	112.6	R246 P247 R248 G252 S253	R246-E250 HydrophobicContact CG-CB 4.16Å; R246-E250 VanDerWaalsContact CZ-O 3.26Å; R246-E250 VanDerWaalsContact NE-CB 3.33Å; R246-E250 IonicContact NE-OE2 3.07Å; R246-E250 PolarHBondContact NH2-O 2.98Å; P247-E250 HydrophobicContact CB-CG 4.27Å; P247-E250 WeakPolarHBondContact O-CB 3.49Å; P247-E250 PolarHBondContact O-N 3.1Å; R248-E250 PolarHBondContact O-N 3.42Å; E250-G252 PolarHBondContact O-N 3.42Å; E250-S253 WeakPolarHBondContact O-CB 3.27Å; E250-S253 PolarHBondContact O-N 3Å; E250-S253 VanDerWaalsContact O-N 3.09Å; E250-S253 PolarHBondContact O-OG 2.76Å
251	F	67.8	Low	69.6	Low	149 Å²	149	136.9 Å²	136.9	65%	0.654	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	120.9	172	-97.3	-99.9	0	0	0	109.7	R246 R248 S253	R246-F251 HydrophobicContact CB-CD2 4.41Å; R246-F251 HydrophobicContact CB-CE2 3.92Å; R246-F251 HydrophobicContact CG-CD2 4.32Å; R246-F251 HydrophobicContact CG-CE2 4.29Å; R248-F251 PolarHBondContact O-N 2.93Å; F251-S253 VanDerWaalsContact C-N 3.25Å; F251-S253 PolarHBondContact O-N 3.16Å
252	G	70.8	Confident	69.9	Low	80 Å²	80	132 Å²	132	83%	0.825	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	75.7	7.2	-176.4	0	0	0	0	0	114.9	E250	E250-G252 PolarHBondContact O-N 3.42Å
253	S	78.8	Confident	70.1	Confident	58 Å²	58	133.5 Å²	133.5	41%	0.406	69%	0.688	S	S	.	*			trans	-60.2	139.4	169.3	57.1	0	0	0	0	110.3	R246 E250 F251 L255	R246-S253 PolarHBondContact NH2-OG 3.33Å; E250-S253 WeakPolarHBondContact O-CB 3.27Å; E250-S253 PolarHBondContact O-N 3Å; E250-S253 VanDerWaalsContact O-N 3.09Å; E250-S253 PolarHBondContact O-OG 2.76Å; F251-S253 VanDerWaalsContact C-N 3.25Å; F251-S253 PolarHBondContact O-N 3.16Å; S253-L255 PolarHBondContact O-N 2.8Å; S253-L255 VanDerWaalsContact O-N 3.08Å
254	V	74.2	Confident	69.9	Low	143 Å²	143	132 Å²	132	87%	0.867	68%	0.679	S	S	*	*			trans	-61.8	114.4	-179.2	179.6	0	0	0	0	108.5
255	L	73.2	Confident	69.4	Low	119 Å²	119	133.1 Å²	133.1	62%	0.623	68%	0.683	S	S	*	*			trans	-87.7	116.8	177.3	-154.9	78.5	0	0	0	108.3	S253 L257	S253-L255 PolarHBondContact O-N 2.8Å; S253-L255 VanDerWaalsContact O-N 3.08Å; L255-L257 HydrophobicContact CD2-CD1 4.36Å; L255-L257 HydrophobicContact CD2-CD2 3.55Å; L255-L257 HydrophobicContact CD2-CG 3.89Å; L255-L257 HydrophobicContact CG-CD2 4.25Å; L255-L257 HydrophobicContact CG-CG 4.37Å; L255-L257 PolarHBondContact O-N 3.44Å; L255-L257 VanDerWaalsContact O-N 3.16Å
256	Q	71.6	Confident	68.8	Low	188 Å²	188	126.9 Å²	126.9	88%	0.879	67%	0.666	S	S	*	*			trans	-80	93.7	168.3	-97	175.2	-19.7	0	0	108.4
257	L	73.3	Confident	68.1	Low	147 Å²	147	126.9 Å²	126.9	77%	0.77	67%	0.67	S	S	*	*			trans	-81	131.9	166.4	-64.9	172.7	0	0	0	108	L255	L255-L257 HydrophobicContact CD2-CD1 4.36Å; L255-L257 HydrophobicContact CD2-CD2 3.55Å; L255-L257 HydrophobicContact CD2-CG 3.89Å; L255-L257 HydrophobicContact CG-CD2 4.25Å; L255-L257 HydrophobicContact CG-CG 4.37Å; L255-L257 PolarHBondContact O-N 3.44Å; L255-L257 VanDerWaalsContact O-N 3.16Å
258	Q	71	Confident	66.8	Low	145 Å²	145	127.7 Å²	127.7	68%	0.678	68%	0.677	S	S	*	*			trans	-123.4	136.1	171.9	56.9	175.4	31.8	0	0	108.5	E260	Q258-E260 HydrophobicContact CG-CG 4.2Å; Q258-E260 PolarHBondContact NE2-OE1 3.13Å; Q258-E260 PolarHBondContact O-N 3.03Å
259	D	65	Low	65.9	Low	174 Å²	174	124.4 Å²	124.4	93%	0.93	67%	0.671	S	S	*	*			trans	-76.8	112.7	170.8	-66	-29	0	0	0	107.7
260	E	61.8	Low	64.8	Low	104 Å²	104	122.9 Å²	122.9	49%	0.486	67%	0.667	S	S	.	*			trans	-102.5	140.4	176.8	-82.6	-74.5	177.7	0	0	110.7	Q258 Q264	Q258-E260 HydrophobicContact CG-CG 4.2Å; Q258-E260 PolarHBondContact NE2-OE1 3.13Å; Q258-E260 PolarHBondContact O-N 3.03Å; E260-Q264 PolarHBondContact OE2-NE2 2.64Å; E260-Q264 VanDerWaalsContact OE2-NE2 3.1Å; E260-Q264 PolarHBondContact OE2-OE1 2.82Å
261	N	60.3	Low	63.8	Low	122 Å²	122	126 Å²	126	65%	0.652	69%	0.685	S	S	*	*			trans	-80.8	129.7	-173.1	-121.3	-37.7	0	0	0	110.4	T263 Q264	N261-T263 PolarHBondContact O-N 2.95Å; N261-Q264 PolarHBondContact O-N 3.19Å; N261-Q264 VanDerWaalsContact O-N 3.15Å
262	A	63.6	Low	63.1	Low	91 Å²	91	125.8 Å²	125.8	75%	0.752	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59	-10	-176.3	0	0	0	0	0	115.3
263	T	63.9	Low	62.5	Low	125 Å²	125	128 Å²	128	77%	0.767	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-5.6	-178.6	50.2	0	0	0	0	114.4	N261 K265	N261-T263 PolarHBondContact O-N 2.95Å; T263-K265 PolarHBondContact O-N 2.67Å
264	Q	56.1	Low	61.7	Low	95 Å²	95	135.7 Å²	135.7	44%	0.444	71%	0.713	S	S	.	*	S	Bend	trans	-71	124.5	174.6	-80.9	-172.9	19.2	0	0	111.6	E260 N261 G266	E260-Q264 PolarHBondContact OE2-NE2 2.64Å; E260-Q264 VanDerWaalsContact OE2-NE2 3.1Å; E260-Q264 PolarHBondContact OE2-OE1 2.82Å; N261-Q264 PolarHBondContact O-N 3.19Å; N261-Q264 VanDerWaalsContact O-N 3.15Å; Q264-G266 PolarHBondContact O-N 3.22Å
265	K	55.7	Low	60.9	Low	210 Å²	210	137.7 Å²	137.7	91%	0.913	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.6	122.8	178.3	-81.8	-175.9	172.7	-178	0	111.2	T263	T263-K265 PolarHBondContact O-N 2.67Å
266	G	58.1	Low	60.2	Low	46 Å²	46	136.3 Å²	136.3	47%	0.474	71%	0.705	S	S	.	*	T	Hydrogen-bonded Turn	trans	117.1	-19.1	173.4	0	0	0	0	0	114.7	Q264	Q264-G266 PolarHBondContact O-N 3.22Å
267	F	53.4	Low	59.8	Low	117 Å²	117	134.4 Å²	134.4	51%	0.513	70%	0.697	S	S	.	*	T	Hydrogen-bonded Turn	trans	-105.3	-17.8	-176.7	-69.9	-77.5	0	0	0	114.7	E269 Q270	F267-E269 PolarHBondContact O-N 3.24Å; F267-E269 VanDerWaalsContact O-N 3.1Å; F267-Q270 PolarHBondContact O-N 2.81Å
268	S	54	Low	59.3	Low	83 Å²	83	131.8 Å²	131.8	58%	0.58	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	-16.3	168.9	54.4	0	0	0	0	112.8
269	E	55.5	Low	59	Low	160 Å²	160	132.7 Å²	132.7	75%	0.748	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	-19.4	172.5	-70.7	179.5	178.5	0	0	113.4	F267	F267-E269 PolarHBondContact O-N 3.24Å; F267-E269 VanDerWaalsContact O-N 3.1Å
270	Q	56.9	Low	58.9	Low	149 Å²	149	130.2 Å²	130.2	70%	0.696	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	-24.7	179.1	-66.5	-172.2	-4.6	0	0	112.9	F267 L272	F267-Q270 PolarHBondContact O-N 2.81Å; Q270-L272 PolarHBondContact O-N 3.35Å
271	I	54.6	Low	58.9	Low	141 Å²	141	131.8 Å²	131.8	72%	0.723	69%	0.69	S	S	*	*	S	Bend	trans	-95.9	83.1	172.3	-54.5	174	0	0	0	106.8	S273	I271-S273 PolarHBondContact O-N 3.47Å; I271-S273 VanDerWaalsContact O-N 3.13Å
272	L	53.5	Low	59.1	Low	144 Å²	144	130.8 Å²	130.8	75%	0.754	69%	0.69	S	S	*	*			trans	-62.6	116.1	172.7	-74.8	159.3	0	0	0	108.2	Q270 R274	Q270-L272 PolarHBondContact O-N 3.35Å; L272-R274 PolarHBondContact O-N 3.01Å
273	S	59	Low	58.8	Low	126 Å²	126	134.2 Å²	134.2	88%	0.881	69%	0.694	S	S	*	*			trans	-73.4	16.7	177	67	0	0	0	0	113.4	I271	I271-S273 PolarHBondContact O-N 3.47Å; I271-S273 VanDerWaalsContact O-N 3.13Å
274	R	60.6	Low	58.5	Low	221 Å²	221	136 Å²	136	83%	0.834	70%	0.695	S	S	*	*	S	Bend	trans	-96.1	120.5	172.7	-100.1	-175	170	-172.2	-4.2	107.6	L272 D276	L272-R274 PolarHBondContact O-N 3.01Å; R274-D276 PolarHBondContact O-N 2.8Å
275	E	58.1	Low	58.3	Low	185 Å²	185	140.5 Å²	140.5	86%	0.864	72%	0.717	S	S	*	*			trans	-56.3	109.2	164.4	-65.9	179.1	172.5	0	0	107.3	E277	E275-E277 PolarHBondContact O-N 3Å
276	D	58	Low	58	Low	89 Å²	89	136.7 Å²	136.7	48%	0.476	71%	0.705	S	S	.	*			trans	-81.1	98.5	179.3	-171.5	1.5	0	0	0	107.6	R274 S278 F279	R274-D276 PolarHBondContact O-N 2.8Å; D276-S278 PolarHBondContact O-N 2.94Å; D276-S278 WeakPolarHBondContact OD1-CB 3.14Å; D276-S278 PolarHBondContact OD1-N 2.96Å; D276-S278 PolarHBondContact OD1-OG 2.98Å; D276-F279 HydrophobicContact CB-CD2 3.85Å; D276-F279 HydrophobicContact CB-CE2 3.9Å; D276-F279 WeakPolarHBondContact O-CD2 3.42Å; D276-F279 PolarHBondContact O-N 3.37Å; D276-F279 VanDerWaalsContact O-N 3.11Å; D276-F279 WeakPolarHBondContact OD2-CE2 3.46Å
277	E	64.4	Low	57.6	Low	149 Å²	149	142 Å²	142	70%	0.696	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-58.7	-12.6	178.6	-68.8	-149.6	166.5	0	0	113	E275 F279 N280	E275-E277 PolarHBondContact O-N 3Å; E277-F279 PolarHBondContact O-N 3.24Å; E277-N280 WeakPolarHBondContact O-CB 3.43Å; E277-N280 PolarHBondContact O-N 3.3Å
278	S	63.3	Low	57.6	Low	92 Å²	92	141.9 Å²	141.9	64%	0.643	72%	0.722	S	S	*	*	G	3₁₀ helix	trans	-54.5	-23.8	171.2	-49.9	0	0	0	0	113.5	D276	D276-S278 PolarHBondContact O-N 2.94Å; D276-S278 WeakPolarHBondContact OD1-CB 3.14Å; D276-S278 PolarHBondContact OD1-N 2.96Å; D276-S278 PolarHBondContact OD1-OG 2.98Å
279	F	63.9	Low	57.7	Low	164 Å²	164	142.8 Å²	142.8	72%	0.719	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-92.8	-7.2	177.9	-60.7	-74.6	0	0	0	114.2	D276 E277 I281	D276-F279 HydrophobicContact CB-CD2 3.85Å; D276-F279 HydrophobicContact CB-CE2 3.9Å; D276-F279 WeakPolarHBondContact O-CD2 3.42Å; D276-F279 PolarHBondContact O-N 3.37Å; D276-F279 VanDerWaalsContact O-N 3.11Å; D276-F279 WeakPolarHBondContact OD2-CE2 3.46Å; E277-F279 PolarHBondContact O-N 3.24Å; F279-I281 VanDerWaalsContact C-N 3.33Å; F279-I281 PolarHBondContact O-N 2.96Å
280	N	62.8	Low	57.7	Low	121 Å²	121	139.6 Å²	139.6	65%	0.647	72%	0.72	S	S	*	*			trans	-78.7	84.1	171.4	-83.9	-27.7	0	0	0	109.2	E277 P282	E277-N280 WeakPolarHBondContact O-CB 3.43Å; E277-N280 PolarHBondContact O-N 3.3Å; N280-P282 WeakPolarHBondContact O-CD 3.35Å
281	I	61.6	Low	57.4	Low	137 Å²	137	137.7 Å²	137.7	70%	0.703	72%	0.719	S	S	*	*			trans	-89.4	105.2	172.9	-55.5	171.8	0	0	0	107.7	F279 I283	F279-I281 VanDerWaalsContact C-N 3.33Å; F279-I281 PolarHBondContact O-N 2.96Å; I281-I283 PolarHBondContact O-N 3.25Å; I281-I283 VanDerWaalsContact O-N 3.15Å
282	P	64.4	Low	57.1	Low	101 Å²	101	139.4 Å²	139.4	66%	0.656	73%	0.73	S	S	*	*			trans	-67.4	114.9	173.5	27.1	-32.6	0	0	0	109	N280 M284	N280-P282 WeakPolarHBondContact O-CD 3.35Å; P282-M284 PolarHBondContact O-N 3.21Å
283	I	57.7	Low	56.8	Low	164 Å²	164	137.1 Å²	137.1	84%	0.841	72%	0.724	S	S	*	*			trans	-84.2	105.5	169.1	-58	173.6	0	0	0	106.4	I281	I281-I283 PolarHBondContact O-N 3.25Å; I281-I283 VanDerWaalsContact O-N 3.15Å
284	M	57.1	Low	56.2	Low	162 Å²	162	139.7 Å²	139.7	80%	0.798	72%	0.722	S	S	*	*			trans	-103.1	115.6	172.3	-69.2	-174.5	-69.5	0	0	108.4	P282	P282-M284 PolarHBondContact O-N 3.21Å
285	E	52.1	Low	55.8	Low	190 Å²	190	137.2 Å²	137.2	89%	0.888	72%	0.724	S	S	*	*			trans	-90.1	121.5	171.7	-164.9	170.2	-156.2	0	0	107.8
286	L	50.5	Low	55.6	Low	129 Å²	129	135.3 Å²	135.3	68%	0.675	72%	0.718	S	S	*	*			trans	-110.1	97.7	-178.3	-156.6	107.7	0	0	0	107.8	K288	L286-K288 HydrophobicContact CD2-CD 3.71Å; L286-K288 HydrophobicContact CD2-CG 3.86Å; L286-K288 PolarHBondContact O-N 3.27Å
287	D	48.8	Very low	55.4	Low	159 Å²	159	135.5 Å²	135.5	85%	0.85	73%	0.726	S	S	*	*			trans	-85.3	109.8	176.3	-162.9	6.5	0	0	0	109
288	K	53.3	Low	55	Low	113 Å²	113	136.1 Å²	136.1	49%	0.491	73%	0.734	S	S	.	*			trans	-126.7	112.9	175.9	-79.4	-172.4	172.2	-178.6	0	108.7	E230 M231 L286	E230-K288 PolarHBondContact O-NZ 2.76Å; M231-K288 HydrophobicContact CE-CB 4.18Å; M231-K288 HydrophobicContact SD-CB 3.68Å; M231-K288 HydrophobicContact SD-CD 3.54Å; M231-K288 VanDerWaalsContact SD-CD 3.54Å; M231-K288 HydrophobicContact SD-CG 4.22Å; L286-K288 HydrophobicContact CD2-CD 3.71Å; L286-K288 HydrophobicContact CD2-CG 3.86Å; L286-K288 PolarHBondContact O-N 3.27Å
289	S	56.2	Low	54.6	Low	103 Å²	103	140.1 Å²	140.1	72%	0.72	74%	0.74	S	S	*	*			trans	-106.6	131.1	171.5	63.5	0	0	0	0	110.4
290	T	55.2	Low	54.1	Low	93 Å²	93	136.4 Å²	136.4	57%	0.571	75%	0.748	S	S	*	*			trans	-102.3	123.1	167.6	-56.1	0	0	0	0	108.4
291	T	49.6	Very low	53.6	Low	108 Å²	108	136.8 Å²	136.8	66%	0.663	75%	0.754	S	S	*	*			trans	-119	131.8	172	56.7	0	0	0	0	109.5	C293	T291-C293 VanDerWaalsContact C-N 3.33Å; T291-C293 PolarHBondContact O-N 3.24Å
292	N	50.2	Low	53.1	Low	178 Å²	178	138.6 Å²	138.6	95%	0.952	77%	0.765	S	S	*	*			trans	-64.3	95.3	162.9	-96.6	6.2	0	0	0	108.1
293	C	46.5	Very low	52.2	Low	95 Å²	95	139 Å²	139	64%	0.642	77%	0.766	S	S	*	*			trans	-109.3	125.6	172.2	-159.3	0	0	0	0	108.7	T291	T291-C293 VanDerWaalsContact C-N 3.33Å; T291-C293 PolarHBondContact O-N 3.24Å
294	E	46.9	Very low	51.7	Low	180 Å²	180	138.4 Å²	138.4	84%	0.841	76%	0.764	S	S	*	*			trans	-64.2	158	162.8	-86.4	-162.8	156.6	0	0	110.3	I296	E294-I296 PolarHBondContact O-N 3.11Å
295	I	51.6	Low	51.3	Low	170 Å²	170	141.3 Å²	141.3	87%	0.872	77%	0.767	S	S	*	*			trans	-49.4	114.7	176.2	-61.5	165.7	0	0	0	109.4	C297	I295-C297 PolarHBondContact O-N 3.2Å
296	I	53.6	Low	51.3	Low	145 Å²	145	139.5 Å²	139.5	74%	0.744	75%	0.751	S	S	*	*			trans	-62	127.7	-177.9	-55.7	169.2	0	0	0	109	E294	E294-I296 PolarHBondContact O-N 3.11Å
297	C	53.9	Low	51.1	Low	93 Å²	93	142.2 Å²	142.2	63%	0.628	75%	0.754	S	S	*	*			trans	-108.3	123.3	166.5	165.1	0	0	0	0	107.9	I295 K299	I295-C297 PolarHBondContact O-N 3.2Å; C297-K299 PolarHBondContact O-N 3.4Å
298	D	55.4	Low	51.1	Low	162 Å²	162	140.5 Å²	140.5	87%	0.866	75%	0.752	S	S	*	*			trans	-70.1	119.5	172.5	-123.9	-19.7	0	0	0	109.3
299	K	56.3	Low	50.5	Low	176 Å²	176	144.1 Å²	144.1	77%	0.765	77%	0.767	S	S	*	*			trans	-130.6	115.7	167.1	-81	-173.9	-179.9	175.7	0	108.7	C297 V301	C297-K299 PolarHBondContact O-N 3.4Å; K299-V301 PolarHBondContact O-N 3.37Å
300	G	53.4	Low	50.1	Low	86 Å²	86	146 Å²	146	89%	0.887	77%	0.77	S	S	*	*			trans	-65.7	122.8	171.2	0	0	0	0	0	110.6
301	V	52.4	Low	49.6	Very low	128 Å²	128	145.2 Å²	145.2	78%	0.776	77%	0.772	S	S	*	*			trans	-109.4	125.6	165	-101.3	0	0	0	0	108.1	K299 T303	K299-V301 PolarHBondContact O-N 3.37Å; V301-T303 PolarHBondContact O-N 3.4Å
302	N	51.1	Low	49.4	Very low	176 Å²	176	147.5 Å²	147.5	94%	0.941	77%	0.773	S	S	*	*			trans	-82.1	31.7	-170.7	-151.6	10.5	0	0	0	112.9
303	T	45.1	Very low	49.3	Very low	110 Å²	110	143.2 Å²	143.2	68%	0.675	75%	0.754	S	S	*	*			trans	-128.8	115.8	-174.5	-36.4	0	0	0	0	110.8	V301 W305	V301-T303 PolarHBondContact O-N 3.4Å; T303-W305 PolarHBondContact O-N 2.95Å
304	N	46.5	Very low	49.1	Very low	150 Å²	150	146.9 Å²	146.9	80%	0.802	76%	0.761	S	S	*	*			trans	-61.9	116.3	172.5	-98.7	-30.9	0	0	0	110.2
305	W	49.1	Very low	49.5	Very low	224 Å²	224	147.3 Å²	147.3	85%	0.848	76%	0.757	S	S	*	*			trans	-84.1	110.5	-176	-122.3	35	0	0	0	110.2	T303	T303-W305 PolarHBondContact O-N 2.95Å
306	R	51.1	Low	49.4	Very low	151 Å²	151	145.5 Å²	145.5	57%	0.57	75%	0.753	S	S	*	*			trans	-114.8	-5.8	177.7	-74.6	-167.4	-179.5	180	7.7	115.5	D626	R306-D626 IonicContact NH2-OD2 2.78Å; R306-D626 PolarHBondContact NH2-OD2 3.3Å
307	Y	46.6	Very low	49.7	Very low	186 Å²	186	142.6 Å²	142.6	73%	0.729	74%	0.744	S	S	*	*			trans	-120.3	111.5	178.2	-67.6	-77.9	0	0	0	111.9	K309	Y307-K309 PolarHBondContact O-N 2.84Å
308	P	48.9	Very low	50.5	Low	124 Å²	124	147.4 Å²	147.4	81%	0.805	75%	0.749	S	S	*	*			trans	-74.3	82.9	163.4	30.5	-30.4	0	0	0	108.3
309	K	41.5	Very low	51.4	Low	188 Å²	188	146.9 Å²	146.9	82%	0.817	74%	0.743	S	S	*	*			trans	-72.3	139.2	154.1	-82.1	-171.3	176.3	179.3	0	106.7	Y307 A311	Y307-K309 PolarHBondContact O-N 2.84Å; K309-A311 PolarHBondContact O-N 2.83Å
310	N	47.4	Very low	52.2	Low	144 Å²	144	143.8 Å²	143.8	77%	0.77	73%	0.727	S	S	*	*			trans	-48.5	90.5	170.9	-68.9	-22.3	0	0	0	109.3	F312	N310-F312 WeakPolarHBondContact O-CD1 3.44Å; N310-F312 WeakPolarHBondContact O-CE1 3.38Å; N310-F312 PolarHBondContact O-N 2.93Å
311	A	44.2	Very low	53.6	Low	76 Å²	76	143.6 Å²	143.6	63%	0.628	71%	0.709	S	S	*	*			trans	-78.2	81	168.8	0	0	0	0	0	105	K309 T313	K309-A311 PolarHBondContact O-N 2.83Å; A311-T313 PolarHBondContact O-N 2.82Å; A311-T313 VanDerWaalsContact O-N 3.11Å
312	F	46.1	Very low	54.8	Low	155 Å²	155	141.7 Å²	141.7	68%	0.68	70%	0.702	S	S	*	*			trans	-54.4	117.7	148.3	43	-88.5	0	0	0	104.6	N310 Q314	N310-F312 WeakPolarHBondContact O-CD1 3.44Å; N310-F312 WeakPolarHBondContact O-CE1 3.38Å; N310-F312 PolarHBondContact O-N 2.93Å; F312-Q314 PolarHBondContact O-N 3.25Å
313	T	48.4	Very low	56.1	Low	88 Å²	88	138.8 Å²	138.8	54%	0.54	69%	0.686	S	S	.	*			trans	-51.5	106.9	174.5	38.3	0	0	0	0	106.6	A311 Y315	A311-T313 PolarHBondContact O-N 2.82Å; A311-T313 VanDerWaalsContact O-N 3.11Å; T313-Y315 WeakPolarHBondContact O-CD2 3.47Å; T313-Y315 WeakPolarHBondContact O-CE2 3.42Å; T313-Y315 PolarHBondContact O-N 2.86Å; T313-Y315 WeakPolarHBondContact OG1-CE2 3.38Å; T313-Y315 PolarHBondContact OG1-OH 2.95Å; T313-Y315 VanDerWaalsContact OG1-OH 3.05Å
314	Q	41.5	Very low	57.5	Low	172 Å²	172	136.3 Å²	136.3	80%	0.804	67%	0.667	S	S	*	*			trans	-73.9	82.9	-180	-151.7	176.5	16.5	0	0	105.4	F312 V316	F312-Q314 PolarHBondContact O-N 3.25Å; Q314-V316 PolarHBondContact O-N 2.73Å; Q314-V316 VanDerWaalsContact O-N 3.09Å
315	Y	56.7	Low	58.7	Low	189 Å²	189	132 Å²	132	74%	0.741	64%	0.643	S	S	*	*			trans	-58.8	117.6	173.9	-56.8	-77.8	0	0	0	106.2	T313 P317	T313-Y315 WeakPolarHBondContact O-CD2 3.47Å; T313-Y315 WeakPolarHBondContact O-CE2 3.42Å; T313-Y315 PolarHBondContact O-N 2.86Å; T313-Y315 WeakPolarHBondContact OG1-CE2 3.38Å; T313-Y315 PolarHBondContact OG1-OH 2.95Å; T313-Y315 VanDerWaalsContact OG1-OH 3.05Å; Y315-P317 WeakPolarHBondContact O-CD 3.44Å; Y315-P317 VanDerWaalsContact O-N 3.1Å
316	V	48.2	Very low	59.9	Low	133 Å²	133	128.1 Å²	128.1	81%	0.806	63%	0.632	S	S	*	*			trans	-62.7	114.3	163.2	177.1	0	0	0	0	104.4	Q314 R318	Q314-V316 PolarHBondContact O-N 2.73Å; Q314-V316 VanDerWaalsContact O-N 3.09Å; V316-R318 PolarHBondContact O-N 3.03Å
317	P	59.8	Low	60.9	Low	84 Å²	84	128.1 Å²	128.1	55%	0.545	64%	0.638	S	S	.	*			trans	-58.4	130.9	180	23.8	-31.7	0	0	0	107.5	Y315 M319	Y315-P317 WeakPolarHBondContact O-CD 3.44Å; Y315-P317 VanDerWaalsContact O-N 3.1Å; P317-M319 HydrophobicContact CG-CE 4.31Å; P317-M319 PolarHBondContact O-N 2.75Å
318	R	71.1	Confident	61.9	Low	193 Å²	193	124 Å²	124	73%	0.728	62%	0.623	S	S	*	*			trans	-59.2	108.8	172.8	176.7	-179.8	168.1	176.4	-5.2	107.2	V316 E324	V316-R318 PolarHBondContact O-N 3.03Å; R318-E324 IonicContact NH2-OE1 3.84Å; R318-E324 PolarHBondContact NH2-OE1 2.88Å
319	M	74.9	Confident	62.8	Low	152 Å²	152	126.1 Å²	126.1	75%	0.749	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-76.6	127.9	173	-65.1	-62.8	-164.8	0	0	108	P317	P317-M319 HydrophobicContact CG-CE 4.31Å; P317-M319 PolarHBondContact O-N 2.75Å
320	Y	72.8	Confident	64.1	Low	111 Å²	111	122.3 Å²	122.3	44%	0.435	60%	0.601	S	S	.	*	P	Polyproline II helix	trans	-63.7	140.2	170.7	-72.4	-64.3	0	0	0	109.9	E324	Y320-E324 WeakPolarHBondContact CA-OE2 3.47Å; Y320-E324 HydrophobicContact CD1-CB 3.93Å; Y320-E324 HydrophobicContact CD1-CG 4.39Å; Y320-E324 HydrophobicContact CG-CB 4.36Å
321	T	81.7	Confident	64.9	Low	81 Å²	81	123.3 Å²	123.3	50%	0.497	60%	0.6	S	S	.	*	P	Polyproline II helix	trans	-66.9	158.4	171.5	55.7	0	0	0	0	110.5	D323 E324 L325	T321-D323 PolarHBondContact O-N 3.31Å; T321-D323 VanDerWaalsContact O-N 3.1Å; T321-E324 PolarHBondContact N-OE2 2.99Å; T321-E324 PolarHBondContact O-N 3.47Å; T321-E324 VanDerWaalsContact O-N 3.1Å; T321-E324 WeakPolarHBondContact OG1-CG 3.45Å; T321-E324 PolarHBondContact OG1-OE2 3.49Å; T321-L325 PolarHBondContact O-N 2.8Å
322	S	78.7	Confident	66	Low	89 Å²	89	126.2 Å²	126.2	62%	0.622	61%	0.606	S	S	*	*	H	α-helix	trans	-55.2	-30.9	-179.6	-58.2	0	0	0	0	113.3	K326	S322-K326 WeakPolarHBondContact O-CG 3.31Å; S322-K326 PolarHBondContact O-N 2.91Å; S322-K326 VanDerWaalsContact O-N 3.11Å
323	D	77.5	Confident	66.9	Low	114 Å²	114	121.2 Å²	121.2	61%	0.61	59%	0.586	S	S	*	*	H	α-helix	trans	-78.9	-38.7	178.8	-64.4	-28.1	0	0	0	112.3	T321 K326 H327	T321-D323 PolarHBondContact O-N 3.31Å; T321-D323 VanDerWaalsContact O-N 3.1Å; D323-K326 PolarHBondContact O-N 2.63Å; D323-H327 PolarHBondContact O-N 3.03Å
324	E	74.8	Confident	67.7	Low	59 Å²	59	121.3 Å²	121.3	28%	0.276	58%	0.583	S	S	.	*	H	α-helix	trans	-62.2	-43.3	171.1	-74.5	169.3	140	0	0	110.9	R318 Y320 T321 K326 H327 Y328	R318-E324 IonicContact NH2-OE1 3.84Å; R318-E324 PolarHBondContact NH2-OE1 2.88Å; Y320-E324 WeakPolarHBondContact CA-OE2 3.47Å; Y320-E324 HydrophobicContact CD1-CB 3.93Å; Y320-E324 HydrophobicContact CD1-CG 4.39Å; Y320-E324 HydrophobicContact CG-CB 4.36Å; T321-E324 PolarHBondContact N-OE2 2.99Å; T321-E324 PolarHBondContact O-N 3.47Å; T321-E324 VanDerWaalsContact O-N 3.1Å; T321-E324 WeakPolarHBondContact OG1-CG 3.45Å; T321-E324 PolarHBondContact OG1-OE2 3.49Å; E324-K326 VanDerWaalsContact C-N 3.35Å; E324-K326 PolarHBondContact O-N 2.85Å; E324-H327 WeakPolarHBondContact O-CB 3.46Å; E324-H327 PolarHBondContact O-N 2.87Å; E324-Y328 WeakPolarHBondContact O-CB 3.17Å; E324-Y328 PolarHBondContact O-N 2.79Å
325	L	72.9	Confident	68.8	Low	58 Å²	58	115.7 Å²	115.7	30%	0.304	57%	0.566	S	S	.	*	H	α-helix	trans	-62.1	-40.8	176.1	-77.6	162.8	0	0	0	111.7	T321 H327 Y328 Y329	T321-L325 PolarHBondContact O-N 2.8Å; L325-H327 VanDerWaalsContact C-N 3.34Å; L325-H327 PolarHBondContact O-N 3.05Å; L325-Y328 CarbonylContact O-C 3.59Å; L325-Y328 PolarHBondContact O-N 3.34Å; L325-Y328 VanDerWaalsContact O-N 3.14Å; L325-Y329 HydrophobicContact CB-CD2 4.16Å; L325-Y329 HydrophobicContact CB-CE2 4.21Å; L325-Y329 HydrophobicContact CD2-CD2 4.23Å; L325-Y329 HydrophobicContact CD2-CE2 3.51Å; L325-Y329 HydrophobicContact CG-CE2 4.42Å; L325-Y329 WeakPolarHBondContact O-CB 3.35Å; L325-Y329 WeakPolarHBondContact O-CD2 3.34Å; L325-Y329 PolarHBondContact O-N 2.81Å
326	K	74.2	Confident	69	Low	143 Å²	143	110.1 Å²	110.1	62%	0.622	55%	0.549	S	S	*	.	H	α-helix	trans	-63	-40.2	174.7	-78.6	173.8	-176.7	173.4	0	112	S322 D323 E324 Y328 H330	S322-K326 WeakPolarHBondContact O-CG 3.31Å; S322-K326 PolarHBondContact O-N 2.91Å; S322-K326 VanDerWaalsContact O-N 3.11Å; D323-K326 PolarHBondContact O-N 2.63Å; E324-K326 VanDerWaalsContact C-N 3.35Å; E324-K326 PolarHBondContact O-N 2.85Å; K326-Y328 VanDerWaalsContact C-N 3.3Å; K326-H330 WeakPolarHBondContact O-CA 2.94Å; K326-H330 WeakPolarHBondContact O-CB 3.32Å; K326-H330 PolarHBondContact O-N 3.01Å
327	H	71.4	Confident	69.9	Low	151 Å²	151	113.2 Å²	113.2	70%	0.699	55%	0.546	S	S	*	.	H	α-helix	trans	-64.2	-36.8	172	-109.2	65.7	0	0	0	112.1	D323 E324 L325 N333	D323-H327 PolarHBondContact O-N 3.03Å; E324-H327 WeakPolarHBondContact O-CB 3.46Å; E324-H327 PolarHBondContact O-N 2.87Å; L325-H327 VanDerWaalsContact C-N 3.34Å; L325-H327 PolarHBondContact O-N 3.05Å; H327-N333 PolarHBondContact O-ND2 3.42Å; H327-N333 VanDerWaalsContact O-ND2 3.1Å
328	Y	68.3	Low	70.3	Confident	101 Å²	101	113.5 Å²	113.5	40%	0.396	54%	0.539	S	S	.	.	H	α-helix	trans	-73.3	-37.7	-179.9	-125.2	-85.7	0	0	0	113.3	E324 L325 K326 N333 L336	E324-Y328 WeakPolarHBondContact O-CB 3.17Å; E324-Y328 PolarHBondContact O-N 2.79Å; L325-Y328 CarbonylContact O-C 3.59Å; L325-Y328 PolarHBondContact O-N 3.34Å; L325-Y328 VanDerWaalsContact O-N 3.14Å; K326-Y328 VanDerWaalsContact C-N 3.3Å; Y328-N333 WeakPolarHBondContact CA-ND2 3.03Å; Y328-N333 WeakPolarHBondContact O-CB 3.37Å; Y328-N333 PolarHBondContact O-ND2 3.47Å; Y328-L336 HydrophobicContact CD1-CD1 3.9Å; Y328-L336 HydrophobicContact CD1-CG 4.49Å
329	Y	67.5	Low	70.2	Confident	167 Å²	167	108.9 Å²	108.9	66%	0.655	53%	0.527	S	S	*	.	H	α-helix	trans	-92.4	0.6	177.7	-66.6	-59.1	0	0	0	113.9	L325 E331 L336	L325-Y329 HydrophobicContact CB-CD2 4.16Å; L325-Y329 HydrophobicContact CB-CE2 4.21Å; L325-Y329 HydrophobicContact CD2-CD2 4.23Å; L325-Y329 HydrophobicContact CD2-CE2 3.51Å; L325-Y329 HydrophobicContact CG-CE2 4.42Å; L325-Y329 WeakPolarHBondContact O-CB 3.35Å; L325-Y329 WeakPolarHBondContact O-CD2 3.34Å; L325-Y329 PolarHBondContact O-N 2.81Å; Y329-E331 PolarHBondContact O-N 2.9Å; Y329-L336 HydrophobicContact CD1-CD1 3.91Å; Y329-L336 HydrophobicContact CE1-CD1 3.91Å
330	H	69	Low	70.1	Confident	109 Å²	109	105.5 Å²	105.5	51%	0.505	52%	0.519	S	S	.	.	S	Bend	trans	-56.5	140.5	176.3	-157.1	-53.3	0	0	0	109.3	K326 N332 N333	K326-H330 WeakPolarHBondContact O-CA 2.94Å; K326-H330 WeakPolarHBondContact O-CB 3.32Å; K326-H330 PolarHBondContact O-N 3.01Å; H330-N332 PolarHBondContact O-N 2.62Å; H330-N333 WeakPolarHBondContact O-CB 3.38Å; H330-N333 PolarHBondContact O-N 2.73Å
331	E	64	Low	70.4	Confident	164 Å²	164	107.5 Å²	107.5	77%	0.766	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-24.5	-175.4	-66.6	-174.7	148.8	0	0	114.4	Y329	Y329-E331 PolarHBondContact O-N 2.9Å
332	N	66.1	Low	70.1	Confident	138 Å²	138	107.3 Å²	107.3	74%	0.738	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-3.1	177.9	-69.5	-15.5	0	0	0	113.9	H330 D334	H330-N332 PolarHBondContact O-N 2.62Å; N332-D334 VanDerWaalsContact C-N 3.34Å; N332-D334 PolarHBondContact O-N 3.39Å
333	N	65.5	Low	70.2	Confident	50 Å²	50	109.7 Å²	109.7	27%	0.267	52%	0.521	S	S	.	.			trans	-81.6	86.1	179.7	-156.3	-26.5	0	0	0	110.7	H327 Y328 H330 A335	H327-N333 PolarHBondContact O-ND2 3.42Å; H327-N333 VanDerWaalsContact O-ND2 3.1Å; Y328-N333 WeakPolarHBondContact CA-ND2 3.03Å; Y328-N333 WeakPolarHBondContact O-CB 3.37Å; Y328-N333 PolarHBondContact O-ND2 3.47Å; H330-N333 WeakPolarHBondContact O-CB 3.38Å; H330-N333 PolarHBondContact O-N 2.73Å; N333-A335 PolarHBondContact O-N 2.95Å; N333-A335 PolarHBondContact OD1-N 2.89Å
334	D	65.3	Low	70.6	Confident	90 Å²	90	107.9 Å²	107.9	48%	0.481	52%	0.516	S	S	.	.	H	α-helix	trans	-52.8	-24.3	179.7	-99	-26.2	0	0	0	114.5	N332 L336 K338	N332-D334 VanDerWaalsContact C-N 3.34Å; N332-D334 PolarHBondContact O-N 3.39Å; D334-L336 PolarHBondContact O-N 2.94Å; D334-K338 HydrophobicContact CB-CD 4.04Å; D334-K338 VanDerWaalsContact CG-CE 3.4Å; D334-K338 WeakPolarHBondContact O-CB 3.19Å; D334-K338 WeakPolarHBondContact O-CG 3.11Å; D334-K338 PolarHBondContact O-N 2.86Å; D334-K338 VanDerWaalsContact OD1-CE 3.24Å; D334-K338 WeakPolarHBondContact OD1-CE 3.37Å; D334-K338 IonicContact OD1-NZ 3.53Å; D334-K338 PolarHBondContact OD1-NZ 3.14Å; D334-K338 WeakPolarHBondContact OD2-CE 3.29Å; D334-K338 IonicContact OD2-NZ 2.77Å; D334-K338 PolarHBondContact OD2-NZ 3Å
335	A	64	Low	70.9	Confident	54 Å²	54	110 Å²	110	45%	0.446	53%	0.528	S	S	.	.	H	α-helix	trans	-62.8	-43.9	-172.4	0	0	0	0	0	113	N333 I339	N333-A335 PolarHBondContact O-N 2.95Å; N333-A335 PolarHBondContact OD1-N 2.89Å; A335-I339 PolarHBondContact O-N 2.83Å
336	L	62.2	Low	71.2	Confident	72 Å²	72	113.3 Å²	113.3	38%	0.377	54%	0.541	S	S	.	.	H	α-helix	trans	-76.5	-43.8	-179.3	-88.9	164.3	0	0	0	112.3	Y328 Y329 D334 K338 I339	Y328-L336 HydrophobicContact CD1-CD1 3.9Å; Y328-L336 HydrophobicContact CD1-CG 4.49Å; Y329-L336 HydrophobicContact CD1-CD1 3.91Å; Y329-L336 HydrophobicContact CE1-CD1 3.91Å; D334-L336 PolarHBondContact O-N 2.94Å; L336-K338 VanDerWaalsContact C-N 3.27Å; L336-K338 PolarHBondContact O-N 3.06Å; L336-I339 WeakPolarHBondContact O-CB 3.21Å; L336-I339 PolarHBondContact O-N 3.18Å
337	R	66.2	Low	71.8	Confident	197 Å²	197	110.4 Å²	110.4	74%	0.743	53%	0.529	S	S	*	.	H	α-helix	trans	-65.1	-31.4	177.2	-84.9	-171.5	174.9	-152.7	1.8	112.3	S340	R337-S340 PolarHBondContact O-OG 2.98Å; R337-S340 VanDerWaalsContact O-OG 3.13Å
338	K	69	Low	72.3	Confident	91 Å²	91	108.3 Å²	108.3	40%	0.396	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-5.9	176.8	-66.4	174.8	-178.2	169.1	0	113.6	D334 L336 S340 K341	D334-K338 HydrophobicContact CB-CD 4.04Å; D334-K338 VanDerWaalsContact CG-CE 3.4Å; D334-K338 WeakPolarHBondContact O-CB 3.19Å; D334-K338 WeakPolarHBondContact O-CG 3.11Å; D334-K338 PolarHBondContact O-N 2.86Å; D334-K338 VanDerWaalsContact OD1-CE 3.24Å; D334-K338 WeakPolarHBondContact OD1-CE 3.37Å; D334-K338 IonicContact OD1-NZ 3.53Å; D334-K338 PolarHBondContact OD1-NZ 3.14Å; D334-K338 WeakPolarHBondContact OD2-CE 3.29Å; D334-K338 IonicContact OD2-NZ 2.77Å; D334-K338 PolarHBondContact OD2-NZ 3Å; L336-K338 VanDerWaalsContact C-N 3.27Å; L336-K338 PolarHBondContact O-N 3.06Å; K338-S340 PolarHBondContact O-N 3.29Å; K338-K341 HydrophobicContact CB-CD 4.37Å; K338-K341 HydrophobicContact CG-CD 4.28Å; K338-K341 WeakPolarHBondContact O-CA 3.43Å; K338-K341 WeakPolarHBondContact O-CB 3.24Å; K338-K341 PolarHBondContact O-N 3.13Å
339	I	69	Low	72.9	Confident	95 Å²	95	106 Å²	106	49%	0.487	52%	0.518	S	S	.	.	G	3₁₀ helix	trans	-62.1	-30.9	174.8	-115.2	166.6	0	0	0	111.4	A335 L336 K341 L342 Y343	A335-I339 PolarHBondContact O-N 2.83Å; L336-I339 WeakPolarHBondContact O-CB 3.21Å; L336-I339 PolarHBondContact O-N 3.18Å; I339-K341 PolarHBondContact O-N 2.68Å; I339-L342 HydrophobicContact CG1-CD1 3.98Å; I339-L342 WeakPolarHBondContact O-CA 3.36Å; I339-L342 VanDerWaalsContact O-CB 3.3Å; I339-L342 WeakPolarHBondContact O-CB 3.35Å; I339-L342 PolarHBondContact O-N 3.44Å; I339-Y343 PolarHBondContact O-N 2.68Å
340	S	73.1	Confident	73.6	Confident	81 Å²	81	103.6 Å²	103.6	57%	0.566	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-59.2	-29	172.1	63.5	0	0	0	0	112.2	R337 K338 L342 Y343	R337-S340 PolarHBondContact O-OG 2.98Å; R337-S340 VanDerWaalsContact O-OG 3.13Å; K338-S340 PolarHBondContact O-N 3.29Å; S340-L342 PolarHBondContact O-N 2.78Å; S340-Y343 VanDerWaalsContact O-CB 3.23Å; S340-Y343 WeakPolarHBondContact O-CB 3.41Å; S340-Y343 PolarHBondContact O-N 2.91Å
341	K	77.4	Confident	74.3	Confident	154 Å²	154	102.8 Å²	102.8	67%	0.67	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-72.7	-17	173.9	-54.9	-174	176.3	-171.6	0	113	K338 I339 P344	K338-K341 HydrophobicContact CB-CD 4.37Å; K338-K341 HydrophobicContact CG-CD 4.28Å; K338-K341 WeakPolarHBondContact O-CA 3.43Å; K338-K341 WeakPolarHBondContact O-CB 3.24Å; K338-K341 PolarHBondContact O-N 3.13Å; I339-K341 PolarHBondContact O-N 2.68Å; K341-P344 WeakPolarHBondContact O-CD 3.3Å
342	L	77.2	Confident	75	Confident	76 Å²	76	100.2 Å²	100.2	40%	0.398	50%	0.503	S	S	.	.	G	3₁₀ helix	trans	-86.8	-14.1	172.6	-59.4	173.3	0	0	0	111.9	I339 S340 P344 L345 F346	I339-L342 HydrophobicContact CG1-CD1 3.98Å; I339-L342 WeakPolarHBondContact O-CA 3.36Å; I339-L342 VanDerWaalsContact O-CB 3.3Å; I339-L342 WeakPolarHBondContact O-CB 3.35Å; I339-L342 PolarHBondContact O-N 3.44Å; S340-L342 PolarHBondContact O-N 2.78Å; L342-P344 VanDerWaalsContact C-CD 3.47Å; L342-P344 VanDerWaalsContact C-N 3.35Å; L342-L345 WeakPolarHBondContact O-CA 3.34Å; L342-L345 WeakPolarHBondContact O-CB 3.44Å; L342-L345 PolarHBondContact O-N 3.22Å; L342-F346 HydrophobicContact CB-CD2 3.91Å; L342-F346 HydrophobicContact CB-CE2 3.82Å; L342-F346 HydrophobicContact CD1-CE2 4.4Å; L342-F346 VanDerWaalsContact O-CD2 3.29Å; L342-F346 WeakPolarHBondContact O-CD2 3.5Å; L342-F346 PolarHBondContact O-N 3.22Å
343	Y	80.6	Confident	75.5	Confident	140 Å²	140	98.2 Å²	98.2	55%	0.549	49%	0.493	S	S	.	.	H	α-helix	trans	-51.3	-46.9	178.9	177.4	-90.6	0	0	0	112.8	I339 S340 L345 F346 E347	I339-Y343 PolarHBondContact O-N 2.68Å; S340-Y343 VanDerWaalsContact O-CB 3.23Å; S340-Y343 WeakPolarHBondContact O-CB 3.41Å; S340-Y343 PolarHBondContact O-N 2.91Å; Y343-L345 VanDerWaalsContact C-N 3.25Å; Y343-L345 PolarHBondContact O-N 3.32Å; Y343-F346 PolarHBondContact O-N 3.47Å; Y343-E347 HydrophobicContact CE1-CB 4.2Å; Y343-E347 HydrophobicContact CE1-CG 4.44Å; Y343-E347 WeakPolarHBondContact CE1-OE2 3.41Å; Y343-E347 VanDerWaalsContact O-CB 3.3Å; Y343-E347 WeakPolarHBondContact O-CB 3.29Å; Y343-E347 PolarHBondContact O-N 3.02Å; Y343-E347 PolarHBondContact OH-OE1 3.25Å; Y343-E347 VanDerWaalsContact OH-OE1 3.04Å
344	P	84.7	Confident	76.1	Confident	76 Å²	76	103.5 Å²	103.5	49%	0.494	52%	0.516	S	S	.	.	H	α-helix	trans	-60.9	-33.9	177.7	-21.5	33.3	0	0	0	113.3	K341 L342 Q348	K341-P344 WeakPolarHBondContact O-CD 3.3Å; L342-P344 VanDerWaalsContact C-CD 3.47Å; L342-P344 VanDerWaalsContact C-N 3.35Å; P344-Q348 WeakPolarHBondContact O-CB 3.43Å; P344-Q348 PolarHBondContact O-N 3.07Å
345	L	81.9	Confident	76.9	Confident	102 Å²	102	107.1 Å²	107.1	53%	0.534	53%	0.531	S	S	.	.	H	α-helix	trans	-70.9	-43.1	178.1	-165.7	78.9	0	0	0	111.1	L342 Y343 S349	L342-L345 WeakPolarHBondContact O-CA 3.34Å; L342-L345 WeakPolarHBondContact O-CB 3.44Å; L342-L345 PolarHBondContact O-N 3.22Å; Y343-L345 VanDerWaalsContact C-N 3.25Å; Y343-L345 PolarHBondContact O-N 3.32Å; L345-S349 WeakPolarHBondContact O-CB 3.24Å; L345-S349 PolarHBondContact O-N 2.91Å; L345-S349 PolarHBondContact O-OG 3.4Å
346	F	79.8	Confident	77.1	Confident	128 Å²	128	110.7 Å²	110.7	56%	0.561	53%	0.534	S	S	*	.	H	α-helix	trans	-65	-43.5	174.7	-80.1	-71.3	0	0	0	111.7	L342 Y343 S349 L350	L342-F346 HydrophobicContact CB-CD2 3.91Å; L342-F346 HydrophobicContact CB-CE2 3.82Å; L342-F346 HydrophobicContact CD1-CE2 4.4Å; L342-F346 VanDerWaalsContact O-CD2 3.29Å; L342-F346 WeakPolarHBondContact O-CD2 3.5Å; L342-F346 PolarHBondContact O-N 3.22Å; Y343-F346 PolarHBondContact O-N 3.47Å; F346-S349 PolarHBondContact O-N 3.18Å; F346-L350 WeakPolarHBondContact O-CB 3.38Å; F346-L350 WeakPolarHBondContact O-CG 3.3Å; F346-L350 PolarHBondContact O-N 3.11Å
347	E	86.8	Confident	77.6	Confident	83 Å²	83	111.7 Å²	111.7	39%	0.388	54%	0.54	S	S	.	.	H	α-helix	trans	-60.1	-46.8	176.6	-176.7	171	-127.9	0	0	111	Y343 S349 L350 L351	Y343-E347 HydrophobicContact CE1-CB 4.2Å; Y343-E347 HydrophobicContact CE1-CG 4.44Å; Y343-E347 WeakPolarHBondContact CE1-OE2 3.41Å; Y343-E347 VanDerWaalsContact O-CB 3.3Å; Y343-E347 WeakPolarHBondContact O-CB 3.29Å; Y343-E347 PolarHBondContact O-N 3.02Å; Y343-E347 PolarHBondContact OH-OE1 3.25Å; Y343-E347 VanDerWaalsContact OH-OE1 3.04Å; E347-S349 PolarHBondContact O-N 3.41Å; E347-L350 PolarHBondContact O-N 2.99Å; E347-L351 HydrophobicContact CG-CD1 4.08Å; E347-L351 WeakPolarHBondContact O-CB 3.3Å; E347-L351 VanDerWaalsContact O-CG 3.26Å; E347-L351 WeakPolarHBondContact O-CG 3.38Å; E347-L351 PolarHBondContact O-N 2.73Å
348	Q	82	Confident	77.8	Confident	106 Å²	106	108.7 Å²	108.7	50%	0.495	53%	0.533	S	S	.	.	H	α-helix	trans	-60	-46.5	174.4	-178.2	-178.4	-12.4	0	0	111.9	P344 L350 L351 E352	P344-Q348 WeakPolarHBondContact O-CB 3.43Å; P344-Q348 PolarHBondContact O-N 3.07Å; Q348-L350 VanDerWaalsContact C-N 3.28Å; Q348-L350 PolarHBondContact O-N 3.41Å; Q348-L351 PolarHBondContact O-N 3.14Å; Q348-E352 PolarHBondContact NE2-OE1 3.47Å; Q348-E352 WeakPolarHBondContact O-CG 3.37Å; Q348-E352 PolarHBondContact O-N 3.14Å
349	S	79.4	Confident	78.1	Confident	52 Å²	52	111 Å²	111	36%	0.364	55%	0.548	S	S	.	.	H	α-helix	trans	-61.9	-37.4	179.7	-52.3	0	0	0	0	111.9	L345 F346 E347 N353	L345-S349 WeakPolarHBondContact O-CB 3.24Å; L345-S349 PolarHBondContact O-N 2.91Å; L345-S349 PolarHBondContact O-OG 3.4Å; F346-S349 PolarHBondContact O-N 3.18Å; E347-S349 PolarHBondContact O-N 3.41Å; S349-N353 WeakPolarHBondContact O-CB 3.34Å; S349-N353 VanDerWaalsContact O-CG 3.31Å; S349-N353 PolarHBondContact O-N 3.47Å; S349-N353 PolarHBondContact O-ND2 2.91Å
350	L	82.1	Confident	78.3	Confident	118 Å²	118	108.2 Å²	108.2	62%	0.618	54%	0.538	S	S	*	.	H	α-helix	trans	-68.7	-44.4	175.4	-79.9	162.2	0	0	0	111.2	F346 E347 Q348 N353 E354	F346-L350 WeakPolarHBondContact O-CB 3.38Å; F346-L350 WeakPolarHBondContact O-CG 3.3Å; F346-L350 PolarHBondContact O-N 3.11Å; E347-L350 PolarHBondContact O-N 2.99Å; Q348-L350 VanDerWaalsContact C-N 3.28Å; Q348-L350 PolarHBondContact O-N 3.41Å; L350-N353 PolarHBondContact O-N 3.14Å; L350-E354 WeakPolarHBondContact O-CB 3.38Å; L350-E354 PolarHBondContact O-N 3.25Å
351	L	85	Confident	78.3	Confident	91 Å²	91	108.3 Å²	108.3	48%	0.476	53%	0.532	S	S	.	.	H	α-helix	trans	-64	-39.4	177.7	-72.4	170.1	0	0	0	112.4	E347 Q348 E354 M355	E347-L351 HydrophobicContact CG-CD1 4.08Å; E347-L351 WeakPolarHBondContact O-CB 3.3Å; E347-L351 VanDerWaalsContact O-CG 3.26Å; E347-L351 WeakPolarHBondContact O-CG 3.38Å; E347-L351 PolarHBondContact O-N 2.73Å; Q348-L351 PolarHBondContact O-N 3.14Å; L351-E354 PolarHBondContact O-N 3.07Å; L351-M355 VanDerWaalsContact O-CB 3.31Å; L351-M355 WeakPolarHBondContact O-CB 3.41Å; L351-M355 WeakPolarHBondContact O-CG 3.14Å; L351-M355 PolarHBondContact O-N 2.95Å
352	E	78.3	Confident	78.1	Confident	111 Å²	111	104.5 Å²	104.5	52%	0.519	52%	0.519	S	S	.	.	H	α-helix	trans	-64.1	-44.2	175.2	-76.5	175.8	-167.8	0	0	111.7	Q348 E354 M355 Y356	Q348-E352 PolarHBondContact NE2-OE1 3.47Å; Q348-E352 WeakPolarHBondContact O-CG 3.37Å; Q348-E352 PolarHBondContact O-N 3.14Å; E352-E354 VanDerWaalsContact C-N 3.31Å; E352-E354 PolarHBondContact O-N 3.4Å; E352-M355 PolarHBondContact O-N 3.44Å; E352-Y356 PolarHBondContact O-N 2.84Å
353	N	75.7	Confident	77.7	Confident	96 Å²	96	110.1 Å²	110.1	51%	0.513	54%	0.536	S	S	.	.	H	α-helix	trans	-66.3	-31.6	175.6	-75.2	-38.2	0	0	0	112.7	S349 L350	S349-N353 WeakPolarHBondContact O-CB 3.34Å; S349-N353 VanDerWaalsContact O-CG 3.31Å; S349-N353 PolarHBondContact O-N 3.47Å; S349-N353 PolarHBondContact O-ND2 2.91Å; L350-N353 PolarHBondContact O-N 3.14Å
354	E	79.3	Confident	77.1	Confident	161 Å²	161	109.4 Å²	109.4	75%	0.752	54%	0.538	S	S	*	.	H	α-helix	trans	-78.9	-36.8	177.3	-162.2	-176.3	-167.9	0	0	112.2	L350 L351 E352 Y356	L350-E354 WeakPolarHBondContact O-CB 3.38Å; L350-E354 PolarHBondContact O-N 3.25Å; L351-E354 PolarHBondContact O-N 3.07Å; E352-E354 VanDerWaalsContact C-N 3.31Å; E352-E354 PolarHBondContact O-N 3.4Å; E354-Y356 PolarHBondContact O-N 3.01Å
355	M	80.7	Confident	76.1	Confident	165 Å²	165	109.6 Å²	109.6	81%	0.813	53%	0.534	S	S	*	.	H	α-helix	trans	-63.2	-41.2	179	-93.4	-178.4	52.9	0	0	112.5	L351 E352	L351-M355 VanDerWaalsContact O-CB 3.31Å; L351-M355 WeakPolarHBondContact O-CB 3.41Å; L351-M355 WeakPolarHBondContact O-CG 3.14Å; L351-M355 PolarHBondContact O-N 2.95Å; E352-M355 PolarHBondContact O-N 3.44Å
356	Y	69.9	Low	75.3	Confident	130 Å²	130	110.4 Å²	110.4	51%	0.51	54%	0.539	S	S	.	.			trans	-150.9	120.4	-172.9	-175.7	-98.5	0	0	0	112.1	E352 E354 F358 D362	E352-Y356 PolarHBondContact O-N 2.84Å; E354-Y356 PolarHBondContact O-N 3.01Å; Y356-F358 HydrophobicContact CD1-CB 4.18Å; Y356-F358 HydrophobicContact CE1-CB 4.14Å; Y356-F358 PolarHBondContact O-N 2.73Å; Y356-F358 VanDerWaalsContact O-N 3.14Å; Y356-D362 PolarHBondContact OH-OD2 3.46Å; Y356-D362 VanDerWaalsContact OH-OD2 3.04Å
357	N	71.8	Confident	74.3	Confident	93 Å²	93	107.9 Å²	107.9	50%	0.497	54%	0.535	S	S	.	.			trans	-81.1	92.6	174.3	-176.5	-0.7	0	0	0	110.4	L359 S360	N357-L359 PolarHBondContact O-N 3.48Å; N357-L359 VanDerWaalsContact O-N 3.12Å; N357-L359 WeakPolarHBondContact OD1-CB 3.3Å; N357-L359 PolarHBondContact OD1-N 2.74Å; N357-L359 VanDerWaalsContact OD1-N 3.13Å; N357-S360 WeakPolarHBondContact O-CB 3.19Å; N357-S360 PolarHBondContact O-N 3.18Å; N357-S360 PolarHBondContact O-OG 3.41Å
358	F	70.6	Confident	72.7	Confident	133 Å²	133	108.9 Å²	108.9	58%	0.583	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-13.4	179.5	66.2	-90.1	0	0	0	114.7	Y356	Y356-F358 HydrophobicContact CD1-CB 4.18Å; Y356-F358 HydrophobicContact CE1-CB 4.14Å; Y356-F358 PolarHBondContact O-N 2.73Å; Y356-F358 VanDerWaalsContact O-N 3.14Å
359	L	74.4	Confident	71.1	Confident	139 Å²	139	106 Å²	106	73%	0.728	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-10	174.4	-61.7	174.6	0	0	0	112.5	N357	N357-L359 PolarHBondContact O-N 3.48Å; N357-L359 VanDerWaalsContact O-N 3.12Å; N357-L359 WeakPolarHBondContact OD1-CB 3.3Å; N357-L359 PolarHBondContact OD1-N 2.74Å; N357-L359 VanDerWaalsContact OD1-N 3.13Å
360	S	73.3	Confident	69.6	Low	38 Å²	38	109.4 Å²	109.4	27%	0.266	56%	0.555	S	S	.	*	S	Bend	trans	-74.4	131.9	176.6	69.5	0	0	0	0	110.8	N357 D362	N357-S360 WeakPolarHBondContact O-CB 3.19Å; N357-S360 PolarHBondContact O-N 3.18Å; N357-S360 PolarHBondContact O-OG 3.41Å; S360-D362 PolarHBondContact O-N 3.19Å
361	N	74.5	Confident	67.9	Low	82 Å²	82	110.9 Å²	110.9	44%	0.439	56%	0.559	S	S	.	*			trans	-87.8	89.3	178.3	-175.2	5.4	0	0	0	109.5	Y363 E364 N365	N361-Y363 PolarHBondContact O-N 3.03Å; N361-Y363 VanDerWaalsContact O-N 3.1Å; N361-Y363 PolarHBondContact OD1-N 2.89Å; N361-E364 HydrophobicContact CB-CB 4.1Å; N361-E364 PolarHBondContact ND2-OE2 2.97Å; N361-E364 WeakPolarHBondContact O-CB 3.4Å; N361-E364 PolarHBondContact O-N 3.1Å; N361-N365 PolarHBondContact O-N 2.72Å
362	D	71.6	Confident	66.1	Low	74 Å²	74	112.2 Å²	112.2	40%	0.396	57%	0.571	S	S	.	*	H	α-helix	trans	-55.2	-30.8	-178	-69.1	-26.9	0	0	0	113.6	Y356 S360 E364 N365 L366	Y356-D362 PolarHBondContact OH-OD2 3.46Å; Y356-D362 VanDerWaalsContact OH-OD2 3.04Å; S360-D362 PolarHBondContact O-N 3.19Å; D362-E364 VanDerWaalsContact C-N 3.29Å; D362-E364 PolarHBondContact O-N 3.12Å; D362-N365 PolarHBondContact O-N 3.12Å; D362-L366 WeakPolarHBondContact O-CB 3.38Å; D362-L366 PolarHBondContact O-N 3.27Å
363	Y	69.4	Low	64.4	Low	194 Å²	194	116.6 Å²	116.6	76%	0.761	58%	0.584	S	S	*	*	H	α-helix	trans	-64.4	-33.4	176	-74.6	-76.7	0	0	0	113	N361 L366 P367	N361-Y363 PolarHBondContact O-N 3.03Å; N361-Y363 VanDerWaalsContact O-N 3.1Å; N361-Y363 PolarHBondContact OD1-N 2.89Å; Y363-L366 HydrophobicContact CD1-CD1 4.46Å; Y363-P367 WeakPolarHBondContact O-CD 3.34Å
364	E	67.2	Low	62.8	Low	126 Å²	126	115.6 Å²	115.6	59%	0.589	58%	0.579	S	S	*	*	H	α-helix	trans	-79.4	-30.2	176.7	-166.4	175.1	174	0	0	111.4	N361 D362 P367 I368	N361-E364 HydrophobicContact CB-CB 4.1Å; N361-E364 PolarHBondContact ND2-OE2 2.97Å; N361-E364 WeakPolarHBondContact O-CB 3.4Å; N361-E364 PolarHBondContact O-N 3.1Å; D362-E364 VanDerWaalsContact C-N 3.29Å; D362-E364 PolarHBondContact O-N 3.12Å; E364-P367 VanDerWaalsContact O-CD 3.25Å; E364-P367 WeakPolarHBondContact O-CD 3.28Å; E364-P367 VanDerWaalsContact O-CG 3.27Å; E364-P367 WeakPolarHBondContact O-CG 3.28Å; E364-I368 WeakPolarHBondContact O-CG1 3.26Å
365	N	65.5	Low	61.2	Low	79 Å²	79	114.7 Å²	114.7	42%	0.422	58%	0.584	S	S	.	*	H	α-helix	trans	-78.5	-27	176.4	-68.2	-38.1	0	0	0	113.8	N361 D362 I368	N361-N365 PolarHBondContact O-N 2.72Å; D362-N365 PolarHBondContact O-N 3.12Å; N365-I368 WeakPolarHBondContact O-CB 3.38Å; N365-I368 PolarHBondContact O-N 3.39Å; N365-I368 VanDerWaalsContact O-N 3.11Å
366	L	65	Low	59.7	Low	119 Å²	119	114.3 Å²	114.3	62%	0.623	57%	0.574	S	S	*	*	H	α-helix	trans	-50.4	-49.4	175.1	-101.8	148.9	0	0	0	113.6	D362 Y363	D362-L366 WeakPolarHBondContact O-CB 3.38Å; D362-L366 PolarHBondContact O-N 3.27Å; Y363-L366 HydrophobicContact CD1-CD1 4.46Å
367	P	57.6	Low	59.1	Low	76 Å²	76	111.2 Å²	111.2	49%	0.494	57%	0.571	S	S	.	*	H	α-helix	trans	-71.4	-23.9	176.9	23.1	-31.4	0	0	0	114.4	Y363 E364 G369 D370	Y363-P367 WeakPolarHBondContact O-CD 3.34Å; E364-P367 VanDerWaalsContact O-CD 3.25Å; E364-P367 WeakPolarHBondContact O-CD 3.28Å; E364-P367 VanDerWaalsContact O-CG 3.27Å; E364-P367 WeakPolarHBondContact O-CG 3.28Å; P367-G369 VanDerWaalsContact C-N 3.29Å; P367-G369 PolarHBondContact O-N 3.04Å; P367-D370 PolarHBondContact O-N 3.23Å
368	I	54.3	Low	58.7	Low	103 Å²	103	112.1 Å²	112.1	53%	0.528	58%	0.576	S	S	.	*	H	α-helix	trans	-65.1	-35.9	-179.1	-56.6	175.5	0	0	0	110.8	E364 N365 D370 E371	E364-I368 WeakPolarHBondContact O-CG1 3.26Å; N365-I368 WeakPolarHBondContact O-CB 3.38Å; N365-I368 PolarHBondContact O-N 3.39Å; N365-I368 VanDerWaalsContact O-N 3.11Å; I368-D370 VanDerWaalsContact C-N 3.3Å; I368-D370 PolarHBondContact O-N 3.3Å; I368-E371 PolarHBondContact O-N 3.38Å
369	G	47.7	Very low	58.9	Low	45 Å²	45	107.7 Å²	107.7	46%	0.464	56%	0.558	S	S	.	*	H	α-helix	trans	-64.6	-32.6	176.7	0	0	0	0	0	113.7	P367 E371 T372	P367-G369 VanDerWaalsContact C-N 3.29Å; P367-G369 PolarHBondContact O-N 3.04Å; G369-E371 VanDerWaalsContact C-N 3.32Å; G369-E371 PolarHBondContact O-N 3.25Å; G369-T372 PolarHBondContact O-N 3.12Å; G369-T372 PolarHBondContact O-OG1 3.11Å
370	D	47.1	Very low	59.5	Low	125 Å²	125	104 Å²	104	67%	0.668	54%	0.541	S	S	*	.	H	α-helix	trans	-74.8	-18.3	-177.1	-86	-11.2	0	0	0	113.3	P367 I368 T372 Y373 D374	P367-D370 PolarHBondContact O-N 3.23Å; I368-D370 VanDerWaalsContact C-N 3.3Å; I368-D370 PolarHBondContact O-N 3.3Å; D370-T372 PolarHBondContact O-N 3.05Å; D370-Y373 PolarHBondContact O-N 3.46Å; D370-D374 PolarHBondContact O-N 3Å
371	E	47.3	Very low	60.3	Low	149 Å²	149	102.4 Å²	102.4	70%	0.696	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-67.9	-24.1	175.9	-67.6	-147.2	152	0	0	112.8	I368 G369 Y373	I368-E371 PolarHBondContact O-N 3.38Å; G369-E371 VanDerWaalsContact C-N 3.32Å; G369-E371 PolarHBondContact O-N 3.25Å; E371-Y373 VanDerWaalsContact C-N 3.3Å; E371-Y373 PolarHBondContact O-N 2.87Å
372	T	47.1	Very low	61.1	Low	119 Å²	119	102.5 Å²	102.5	73%	0.73	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-75.4	-18.4	177.5	58.9	0	0	0	0	113.7	G369 D370	G369-T372 PolarHBondContact O-N 3.12Å; G369-T372 PolarHBondContact O-OG1 3.11Å; D370-T372 PolarHBondContact O-N 3.05Å
373	Y	42.6	Very low	62	Low	203 Å²	203	104.5 Å²	104.5	80%	0.796	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-113.3	16.2	179.1	-88.2	-82.4	0	0	0	113.9	D370 E371 T375	D370-Y373 PolarHBondContact O-N 3.46Å; E371-Y373 VanDerWaalsContact C-N 3.3Å; E371-Y373 PolarHBondContact O-N 2.87Å; Y373-T375 PolarHBondContact O-N 2.77Å
374	D	42.3	Very low	63	Low	74 Å²	74	98.7 Å²	98.7	40%	0.396	51%	0.512	S	S	.	.			trans	-70.5	105.8	171.1	-154.4	-8.4	0	0	0	109.5	D370 R376	D370-D374 PolarHBondContact O-N 3Å; D374-R376 HydrophobicContact CB-CB 4.42Å; D374-R376 VanDerWaalsContact CG-CB 3.45Å; D374-R376 PolarHBondContact O-N 3.36Å; D374-R376 VanDerWaalsContact OD1-CB 3.23Å; D374-R376 WeakPolarHBondContact OD1-CB 3.39Å; D374-R376 WeakPolarHBondContact OD1-CD 3.35Å; D374-R376 WeakPolarHBondContact OD1-CG 3.07Å; D374-R376 PolarHBondContact OD1-N 2.85Å; D374-R376 VanDerWaalsContact OD1-N 3.07Å; D374-R376 WeakPolarHBondContact OD2-CB 3.13Å; D374-R376 WeakPolarHBondContact OD2-CD 3.44Å
375	T	45.7	Very low	64.3	Low	142 Å²	142	94.4 Å²	94.4	87%	0.871	49%	0.493	S	S	*	.	S	Bend	trans	-59.5	-4.2	169.4	7.2	0	0	0	0	111.5	Y373 S377	Y373-T375 PolarHBondContact O-N 2.77Å; T375-S377 PolarHBondContact O-N 2.76Å; T375-S377 VanDerWaalsContact O-N 3.13Å
376	R	50.2	Low	65.5	Low	158 Å²	158	93 Å²	93	60%	0.596	49%	0.489	S	S	*	.			trans	-80.6	52.9	167.8	-59.1	163.2	131.1	166.8	4.4	113.1	D374 D378 N379	D374-R376 HydrophobicContact CB-CB 4.42Å; D374-R376 VanDerWaalsContact CG-CB 3.45Å; D374-R376 PolarHBondContact O-N 3.36Å; D374-R376 VanDerWaalsContact OD1-CB 3.23Å; D374-R376 WeakPolarHBondContact OD1-CB 3.39Å; D374-R376 WeakPolarHBondContact OD1-CD 3.35Å; D374-R376 WeakPolarHBondContact OD1-CG 3.07Å; D374-R376 PolarHBondContact OD1-N 2.85Å; D374-R376 VanDerWaalsContact OD1-N 3.07Å; D374-R376 WeakPolarHBondContact OD2-CB 3.13Å; D374-R376 WeakPolarHBondContact OD2-CD 3.44Å; R376-D378 PolarHBondContact O-N 2.89Å; R376-N379 HydrophobicContact CB-CB 4.44Å; R376-N379 WeakPolarHBondContact CD-ND2 3.45Å; R376-N379 PolarHBondContact O-N 2.9Å
377	S	56.6	Low	66.8	Low	64 Å²	64	87.3 Å²	87.3	45%	0.448	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.4	-17.8	163.6	63.7	0	0	0	0	113.4	T375 N379 T380 K382	T375-S377 PolarHBondContact O-N 2.76Å; T375-S377 VanDerWaalsContact O-N 3.13Å; S377-N379 VanDerWaalsContact C-N 3.31Å; S377-N379 PolarHBondContact O-N 2.89Å; S377-T380 PolarHBondContact O-OG1 3.21Å; S377-K382 WeakPolarHBondContact O-CE 3.49Å; S377-K382 PolarHBondContact O-NZ 3.1Å
378	D	63.2	Low	68.4	Low	112 Å²	112	86.8 Å²	86.8	60%	0.599	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-9	174.7	-68.4	-17.9	0	0	0	115.8	R376 K382 P834	R376-D378 PolarHBondContact O-N 2.89Å; D378-K382 IonicContact OD1-NZ 3.62Å; D378-K382 PolarHBondContact OD1-NZ 2.76Å; D378-P834 WeakPolarHBondContact O-CB 3.47Å
379	N	75.5	Confident	69.9	Low	40 Å²	40	83.1 Å²	83.1	21%	0.214	44%	0.437	C	S	.	.	S	Bend	trans	-93.5	-20.1	178.1	-73.2	-15.8	0	0	0	113.5	R376 S377 M796 P834	R376-N379 HydrophobicContact CB-CB 4.44Å; R376-N379 WeakPolarHBondContact CD-ND2 3.45Å; R376-N379 PolarHBondContact O-N 2.9Å; S377-N379 VanDerWaalsContact C-N 3.31Å; S377-N379 PolarHBondContact O-N 2.89Å; N379-M796 HydrophobicContact CB-CE 4.3Å; N379-M796 WeakPolarHBondContact O-CE 3.26Å; N379-P834 WeakPolarHBondContact O-CG 3.38Å
380	T	86	Confident	71.7	Confident	61 Å²	61	87.8 Å²	87.8	37%	0.374	45%	0.45	S	S	.	.	S	Bend	trans	-96.9	160.9	-178.4	57.1	0	0	0	0	111.7	S377 K382	S377-T380 PolarHBondContact O-OG1 3.21Å; T380-K382 PolarHBondContact O-N 2.98Å
381	F	90.5	Very high	73.4	Confident	5 Å²	5	89 Å²	89	2%	0.022	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-64.1	126.5	169.7	-66.6	-70.7	0	0	0	109.8	Y774 I782 V784 Q798 I819 F831 V833 L837	F381-Y774 HydrophobicContact CE1-CE1 4.42Å; F381-Y774 HydrophobicContact CZ-CD1 4.07Å; F381-Y774 AromaticContact CZ-CE1 3.82Å; F381-Y774 HydrophobicContact CZ-CE1 3.82Å; F381-I782 HydrophobicContact CE2-CG2 4.31Å; F381-V784 HydrophobicContact CE2-CG2 3.55Å; F381-V784 HydrophobicContact CZ-CG2 3.76Å; F381-Q798 HydrophobicContact CD2-CB 4.37Å; F381-Q798 PolarHBondContact O-NE2 3.38Å; F381-I819 HydrophobicContact CD1-CD1 4.27Å; F381-I819 HydrophobicContact CE1-CD1 3.41Å; F381-I819 VanDerWaalsContact CE1-CD1 3.41Å; F381-I819 HydrophobicContact CE1-CG1 4.43Å; F381-I819 HydrophobicContact CZ-CD1 3.74Å; F381-F831 HydrophobicContact CB-CB 3.93Å; F381-F831 HydrophobicContact CB-CD1 4.15Å; F381-F831 HydrophobicContact CB-CG 4.29Å; F381-F831 HydrophobicContact CD1-CB 4.4Å; F381-F831 HydrophobicContact CG-CB 4.48Å; F381-V833 HydrophobicContact CE1-CB 4.32Å; F381-V833 HydrophobicContact CE1-CG1 4.17Å; F381-V833 HydrophobicContact CE1-CG2 4.08Å; F381-L837 HydrophobicContact CE1-CD1 4.38Å; F381-L837 HydrophobicContact CZ-CD1 3.95Å
382	K	90.8	Very high	75.2	Confident	84 Å²	84	83.8 Å²	83.8	37%	0.365	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	120.7	176.6	-64.9	-176.7	-175.6	178.9	0	109.4	S377 D378 T380 F384 F831 I832	S377-K382 WeakPolarHBondContact O-CE 3.49Å; S377-K382 PolarHBondContact O-NZ 3.1Å; D378-K382 IonicContact OD1-NZ 3.62Å; D378-K382 PolarHBondContact OD1-NZ 2.76Å; T380-K382 PolarHBondContact O-N 2.98Å; K382-F384 PolarHBondContact O-N 2.68Å; K382-F831 CarbonylContact O-C 3.47Å; K382-F831 WeakPolarHBondContact O-CA 3.37Å; K382-I832 PolarHBondContact N-O 3.43Å; K382-I832 PolarHBondContact O-N 3.38Å
383	E	90.5	Very high	77.1	Confident	117 Å²	117	78.1 Å²	78.1	55%	0.547	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	132.6	174.6	-169.2	178.1	-169.9	0	0	109.8	F831	E383-F831 HydrophobicContact CB-CD1 3.99Å; E383-F831 HydrophobicContact CB-CE1 3.69Å; E383-F831 HydrophobicContact CG-CD1 4.5Å; E383-F831 HydrophobicContact CG-CE1 4Å; E383-F831 HydrophobicContact CG-CZ 4.36Å
384	F	91.4	Very high	79.2	Confident	72 Å²	72	73.5 Å²	73.5	32%	0.316	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	-54.9	-178.9	-177.5	-117.2	0	0	0	111.4	K382 F443 F818 L830 I832	K382-F384 PolarHBondContact O-N 2.68Å; F384-F443 AromaticContact CE1-CD2 3.99Å; F384-F443 HydrophobicContact CE1-CD2 3.99Å; F384-F443 HydrophobicContact CE1-CE2 4.05Å; F384-F443 HydrophobicContact CE1-CG 4.39Å; F384-F818 HydrophobicContact CB-CD1 4.48Å; F384-F818 HydrophobicContact CB-CE1 4.23Å; F384-F818 HydrophobicContact CD1-CD1 4.15Å; F384-F818 AromaticContact CD1-CE1 3.58Å; F384-F818 HydrophobicContact CD1-CE1 3.58Å; F384-F818 HydrophobicContact CD1-CZ 4.4Å; F384-F818 HydrophobicContact CD2-CE1 4.16Å; F384-F818 AromaticContact CE1-CE1 3.94Å; F384-F818 HydrophobicContact CE1-CE1 3.94Å; F384-F818 HydrophobicContact CE1-CZ 4.32Å; F384-F818 HydrophobicContact CE2-CE1 4.48Å; F384-F818 HydrophobicContact CG-CD1 4.36Å; F384-F818 AromaticContact CG-CE1 3.71Å; F384-F818 HydrophobicContact CG-CE1 3.71Å; F384-F818 HydrophobicContact CZ-CE1 4.37Å; F384-L830 HydrophobicContact CB-CB 4.28Å; F384-L830 WeakPolarHBondContact CB-O 3.39Å; F384-L830 HydrophobicContact CD1-CB 4.49Å; F384-L830 HydrophobicContact CD1-CD1 4.38Å; F384-L830 PolarHBondContact N-O 3.49Å; F384-I832 HydrophobicContact CB-CG1 4.03Å; F384-I832 HydrophobicContact CD2-CD1 4.03Å; F384-I832 HydrophobicContact CD2-CG1 4.34Å; F384-I832 HydrophobicContact CG-CG1 4.39Å
385	L	93	Very high	81.2	Confident	36 Å²	36	75.2 Å²	75.2	19%	0.188	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	153.8	-178.4	-71	176.2	0	0	0	109.6	F387 F443 P446 L830	L385-F387 HydrophobicContact CB-CE2 3.86Å; L385-F387 HydrophobicContact CB-CZ 4.02Å; L385-F387 HydrophobicContact CD1-CE2 4.38Å; L385-F387 HydrophobicContact CD1-CZ 3.77Å; L385-F443 HydrophobicContact CD1-CB 4.17Å; L385-F443 HydrophobicContact CD1-CD1 4.1Å; L385-F443 HydrophobicContact CD1-CG 4.18Å; L385-P446 HydrophobicContact CD1-CG 4.18Å; L385-P446 HydrophobicContact CD2-CB 4.32Å; L385-P446 HydrophobicContact CD2-CG 3.84Å; L385-L830 HydrophobicContact CB-CB 4.49Å; L385-L830 HydrophobicContact CB-CD1 4.3Å; L385-L830 PolarHBondContact O-N 2.96Å
386	S	92.2	Very high	83.4	Confident	48 Å²	48	69.3 Å²	69.3	34%	0.336	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	136.7	170.4	180	0	0	0	0	108.7	V827 L828	S386-V827 WeakPolarHBondContact OG-CG1 3.47Å; S386-L828 CarbonylContact C-O 3.56Å; S386-L828 WeakPolarHBondContact CA-O 3.29Å
387	F	92.2	Very high	85.4	Confident	1 Å²	1	62.3 Å²	62.3	0%	0.004	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	128.9	-179.7	-53	-94.6	0	0	0	109.6	L385 W441 F443 P446 L828 L830	L385-F387 HydrophobicContact CB-CE2 3.86Å; L385-F387 HydrophobicContact CB-CZ 4.02Å; L385-F387 HydrophobicContact CD1-CE2 4.38Å; L385-F387 HydrophobicContact CD1-CZ 3.77Å; F387-W441 HydrophobicContact CB-CD2 3.75Å; F387-W441 HydrophobicContact CB-CE3 3.96Å; F387-W441 HydrophobicContact CB-CG 4.08Å; F387-W441 HydrophobicContact CB-CH2 4.4Å; F387-W441 HydrophobicContact CB-CZ2 4.29Å; F387-W441 HydrophobicContact CB-CZ3 4.28Å; F387-W441 HydrophobicContact CD1-CB 3.77Å; F387-W441 AromaticContact CD1-CD2 4Å; F387-W441 HydrophobicContact CD1-CD2 4Å; F387-W441 AromaticContact CD1-CE3 3.81Å; F387-W441 HydrophobicContact CD1-CE3 3.81Å; F387-W441 HydrophobicContact CD1-CG 4.02Å; F387-W441 HydrophobicContact CE1-CB 3.96Å; F387-W441 HydrophobicContact CG-CB 4.13Å; F387-W441 HydrophobicContact CG-CD2 4.11Å; F387-W441 HydrophobicContact CG-CE3 4.27Å; F387-W441 HydrophobicContact CG-CG 4.06Å; F387-F443 HydrophobicContact CZ-CD1 4Å; F387-F443 HydrophobicContact CZ-CE1 4.41Å; F387-P446 HydrophobicContact CD1-CB 4.12Å; F387-P446 HydrophobicContact CE1-CB 3.8Å; F387-P446 HydrophobicContact CE1-CG 4.46Å; F387-L828 HydrophobicContact CB-CB 4.22Å; F387-L828 HydrophobicContact CB-CD2 4.32Å; F387-L828 HydrophobicContact CD2-CB 4.46Å; F387-L828 HydrophobicContact CD2-CD2 3.66Å; F387-L828 HydrophobicContact CD2-CG 4.05Å; F387-L828 HydrophobicContact CE2-CD2 4.33Å; F387-L828 HydrophobicContact CG-CD2 4.24Å; F387-L828 PolarHBondContact N-O 3.1Å; F387-L828 PolarHBondContact O-N 3.44Å; F387-L830 HydrophobicContact CE2-CD1 3.58Å; F387-L830 HydrophobicContact CE2-CG 3.95Å; F387-L830 HydrophobicContact CZ-CD1 4.24Å
388	T	89.7	Confident	87.3	Confident	65 Å²	65	59.3 Å²	59.3	40%	0.399	30%	0.299	S	S	.	.			trans	-156.2	140.8	173.7	-174.3	0	0	0	0	108.7
389	D	87.4	Confident	88.8	Confident	26 Å²	26	55.4 Å²	55.4	14%	0.139	28%	0.279	C	S	.	.			trans	-121.6	133.9	175.6	176.4	86.9	0	0	0	110.2	K391 Y392 S393 K394 W441	D389-K391 PolarHBondContact O-N 3.15Å; D389-K391 WeakPolarHBondContact OD2-CA 3.26Å; D389-K391 WeakPolarHBondContact OD2-CB 3.43Å; D389-K391 PolarHBondContact OD2-N 2.66Å; D389-Y392 VanDerWaalsContact OD2-CD2 3.25Å; D389-Y392 WeakPolarHBondContact OD2-CD2 3.24Å; D389-Y392 PolarHBondContact OD2-N 2.93Å; D389-S393 PolarHBondContact N-OG 2.96Å; D389-S393 PolarHBondContact O-N 3.49Å; D389-S393 PolarHBondContact O-OG 3.01Å; D389-K394 WeakPolarHBondContact O-CB 3.12Å; D389-K394 PolarHBondContact O-N 2.87Å; D389-W441 HydrophobicContact CB-CH2 3.67Å; D389-W441 HydrophobicContact CB-CZ2 4.43Å
390	L	83.7	Confident	89.7	Confident	143 Å²	143	55.1 Å²	55.1	75%	0.749	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-18.2	-174	-64.9	176.5	0	0	0	114	K394	L390-K394 HydrophobicContact CD2-CD 3.89Å
391	K	84	Confident	90.3	Very high	149 Å²	149	52.3 Å²	52.3	65%	0.648	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	-43.1	-175.1	-178.9	179.8	176.3	-167.9	0	112.6	D389	D389-K391 PolarHBondContact O-N 3.15Å; D389-K391 WeakPolarHBondContact OD2-CA 3.26Å; D389-K391 WeakPolarHBondContact OD2-CB 3.43Å; D389-K391 PolarHBondContact OD2-N 2.66Å
392	Y	85.3	Confident	90.5	Very high	40 Å²	40	54.5 Å²	54.5	16%	0.157	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-31.2	-170.3	-61.6	-76.6	0	0	0	113.5	D389 I439 L452 I519	D389-Y392 VanDerWaalsContact OD2-CD2 3.25Å; D389-Y392 WeakPolarHBondContact OD2-CD2 3.24Å; D389-Y392 PolarHBondContact OD2-N 2.93Å; Y392-I439 VanDerWaalsContact CB-CD1 3.47Å; Y392-L452 HydrophobicContact CD1-CD1 4.05Å; Y392-L452 HydrophobicContact CD1-CD2 4.43Å; Y392-L452 HydrophobicContact CD2-CD1 4.03Å; Y392-L452 HydrophobicContact CD2-CD2 4.32Å; Y392-L452 HydrophobicContact CE1-CD1 3.59Å; Y392-L452 HydrophobicContact CE2-CD1 3.62Å; Y392-L452 HydrophobicContact CG-CD1 4.25Å; Y392-L452 HydrophobicContact CG-CD2 4.2Å; Y392-I519 HydrophobicContact CD2-CD1 4.2Å; Y392-I519 HydrophobicContact CE2-CD1 3.59Å
393	S	86.3	Confident	90.7	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.007	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-30	-177.8	84.7	0	0	0	0	114.9	D389 N395 K396 G826	D389-S393 PolarHBondContact N-OG 2.96Å; D389-S393 PolarHBondContact O-N 3.49Å; D389-S393 PolarHBondContact O-OG 3.01Å; S393-N395 PolarHBondContact O-N 3.23Å; S393-K396 WeakPolarHBondContact O-CB 3.12Å; S393-K396 PolarHBondContact O-N 2.85Å; S393-K396 VanDerWaalsContact O-N 3.12Å; S393-G826 WeakPolarHBondContact CB-O 3.33Å; S393-G826 WeakPolarHBondContact O-CA 3.17Å; S393-G826 PolarHBondContact OG-O 2.99Å
394	K	86.4	Confident	90.9	Very high	105 Å²	105	46.1 Å²	46.1	46%	0.457	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	133.4	-178.6	-173.7	-177.7	-176	179.3	0	112.5	D389 L390 K396	D389-K394 WeakPolarHBondContact O-CB 3.12Å; D389-K394 PolarHBondContact O-N 2.87Å; L390-K394 HydrophobicContact CD2-CD 3.89Å; K394-K396 PolarHBondContact O-N 2.92Å
395	N	85.6	Confident	90.8	Very high	110 Å²	110	45.6 Å²	45.6	59%	0.588	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.6	19.8	179.8	-59.9	-15.4	0	0	0	114.2	S393 Q825	S393-N395 PolarHBondContact O-N 3.23Å; N395-Q825 PolarHBondContact N-O 3.05Å
396	K	90.9	Very high	90.5	Very high	18 Å²	18	48.8 Å²	48.8	8%	0.078	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	155.6	173.1	-59.6	-167.1	-175.1	-133.8	0	109.7	S393 K394 I415 S416 E417 Q434 Q825 G826	S393-K396 WeakPolarHBondContact O-CB 3.12Å; S393-K396 PolarHBondContact O-N 2.85Å; S393-K396 VanDerWaalsContact O-N 3.12Å; K394-K396 PolarHBondContact O-N 2.92Å; K396-I415 HydrophobicContact CB-CG2 3.2Å; K396-I415 HydrophobicContact CD-CG2 3.49Å; K396-I415 VanDerWaalsContact CD-CG2 3.49Å; K396-I415 HydrophobicContact CG-CG2 3.98Å; K396-S416 WeakPolarHBondContact CB-O 3.1Å; K396-E417 WeakPolarHBondContact CE-OE1 3.5Å; K396-E417 IonicContact NZ-OE1 2.74Å; K396-E417 PolarHBondContact NZ-OE1 2.88Å; K396-Q434 VanDerWaalsContact NZ-NE2 3.11Å; K396-Q825 CarbonylContact O-C 3.57Å; K396-G826 WeakPolarHBondContact O-CA 3.46Å; K396-G826 PolarHBondContact O-N 3.44Å
397	A	93	Very high	90.4	Very high	11 Å²	11	47.9 Å²	47.9	9%	0.091	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	138.2	179.5	0	0	0	0	0	110.7	I415 S416 R418 I824	A397-I415 WeakPolarHBondContact O-CA 3.47Å; A397-S416 PolarHBondContact N-O 3.16Å; A397-S416 PolarHBondContact O-N 2.83Å; A397-R418 HydrophobicContact CB-CB 4.39Å; A397-I824 HydrophobicContact CB-CG1 4.15Å
398	I	95.5	Very high	90.1	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.01	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	125.2	165.6	-70.7	161	0	0	0	108	I401 S414 T806 A807 D823 V827 L828	I398-I401 HydrophobicContact CG2-CD1 4.22Å; I398-I401 HydrophobicContact CG2-CG1 3.75Å; I398-S414 WeakPolarHBondContact CA-O 3.31Å; I398-T806 WeakPolarHBondContact O-CB 3.41Å; I398-T806 PolarHBondContact O-OG1 3.1Å; I398-A807 HydrophobicContact CG2-CB 4.37Å; I398-D823 PolarHBondContact N-O 2.84Å; I398-V827 VanDerWaalsContact CD1-C 3.47Å; I398-V827 WeakPolarHBondContact CD1-O 3.31Å; I398-L828 HydrophobicContact CD1-CB 4.05Å
399	T	94.4	Very high	89.9	Confident	29 Å²	29	51.7 Å²	51.7	18%	0.178	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-38.2	179.9	50.6	0	0	0	0	112.7	S414 S416 I459 I460	T399-S414 PolarHBondContact N-O 2.87Å; T399-S414 VanDerWaalsContact OG1-CB 3.31Å; T399-S414 WeakPolarHBondContact OG1-CB 2.99Å; T399-S414 PolarHBondContact OG1-O 2.8Å; T399-S414 PolarHBondContact OG1-OG 2.79Å; T399-S416 WeakPolarHBondContact CG2-OG 3.46Å; T399-I459 PolarHBondContact OG1-O 2.86Å; T399-I460 WeakPolarHBondContact CB-O 3.48Å; T399-I460 HydrophobicContact CG2-CD1 4.38Å
400	M	96	Very high	90.2	Very high	35 Å²	35	50.5 Å²	50.5	17%	0.172	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	149.6	-178.4	-172.2	64.2	71.4	0	0	110.5	Q402 T413 S414 C461 F462	M400-Q402 HydrophobicContact CG-CG 4.33Å; M400-T413 WeakPolarHBondContact O-CA 3.47Å; M400-S414 WeakPolarHBondContact CB-OG 3.4Å; M400-S414 PolarHBondContact N-OG 2.62Å; M400-S414 PolarHBondContact O-N 2.94Å; M400-S414 PolarHBondContact O-OG 2.9Å; M400-C461 HydrophobicContact CE-CB 4.11Å; M400-F462 HydrophobicContact CB-CD1 4.01Å; M400-F462 HydrophobicContact CB-CE1 3.96Å; M400-F462 HydrophobicContact CG-CD1 4.22Å; M400-F462 HydrophobicContact CG-CE1 4.18Å
401	I	97	Very high	90.7	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	127	177.1	-58	167.8	0	0	0	108.6	I398 I411 T413 A807 S809 A820 L828	I398-I401 HydrophobicContact CG2-CD1 4.22Å; I398-I401 HydrophobicContact CG2-CG1 3.75Å; I401-I411 HydrophobicContact CG2-CG2 3.67Å; I401-T413 HydrophobicContact CG1-CG2 4.21Å; I401-A807 HydrophobicContact CD1-CB 3.87Å; I401-A807 HydrophobicContact CG1-CB 3.91Å; I401-S809 WeakPolarHBondContact O-CB 3.49Å; I401-S809 PolarHBondContact O-OG 3.04Å; I401-A820 HydrophobicContact CG2-CB 3.95Å; I401-L828 HydrophobicContact CD1-CD1 3.56Å; I401-L828 HydrophobicContact CG1-CD1 4.09Å; I401-L828 HydrophobicContact CG2-CD1 4.11Å
402	Q	95.5	Very high	91.3	Very high	51 Å²	51	36.6 Å²	36.6	24%	0.238	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	133	176.2	-71.1	-67.7	-14.8	0	0	110.8	M400 A412 F462 F464	M400-Q402 HydrophobicContact CG-CG 4.33Å; Q402-A412 PolarHBondContact N-O 3.21Å; Q402-A412 PolarHBondContact O-N 2.91Å; Q402-F462 HydrophobicContact CB-CE2 3.74Å; Q402-F462 HydrophobicContact CB-CZ 3.81Å; Q402-F462 HydrophobicContact CG-CD2 4.43Å; Q402-F462 HydrophobicContact CG-CE1 4.48Å; Q402-F462 HydrophobicContact CG-CE2 4.01Å; Q402-F462 HydrophobicContact CG-CZ 4.03Å; Q402-F462 WeakPolarHBondContact CG-O 3.26Å; Q402-F464 HydrophobicContact CB-CD2 3.98Å; Q402-F464 HydrophobicContact CB-CE2 4.15Å
403	W	94.5	Very high	91.8	Very high	21 Å²	21	34.8 Å²	34.8	8%	0.08	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	142	173.1	-64	92.2	0	0	0	109.9	I411 F443 S809 W811 F818 A820 L830	W403-I411 HydrophobicContact CD2-CD1 4.19Å; W403-I411 HydrophobicContact CD2-CG1 4.04Å; W403-I411 HydrophobicContact CE3-CD1 3.73Å; W403-I411 HydrophobicContact CE3-CG1 3.44Å; W403-I411 VanDerWaalsContact CE3-CG1 3.44Å; W403-I411 HydrophobicContact CH2-CD1 3.3Å; W403-I411 HydrophobicContact CH2-CG1 4.01Å; W403-I411 HydrophobicContact CZ2-CD1 3.81Å; W403-I411 HydrophobicContact CZ3-CD1 3.26Å; W403-I411 HydrophobicContact CZ3-CG1 3.42Å; W403-I411 VanDerWaalsContact CZ3-CG1 3.42Å; W403-F443 HydrophobicContact CH2-CE1 4.33Å; W403-F443 AromaticContact CH2-CZ 3.78Å; W403-F443 HydrophobicContact CH2-CZ 3.78Å; W403-F443 AromaticContact CZ3-CE1 3.94Å; W403-F443 HydrophobicContact CZ3-CE1 3.94Å; W403-F443 HydrophobicContact CZ3-CE2 4.45Å; W403-F443 AromaticContact CZ3-CZ 3.46Å; W403-F443 HydrophobicContact CZ3-CZ 3.46Å; W403-F443 VanDerWaalsContact CZ3-CZ 3.46Å; W403-S809 PolarHBondContact NE1-O 2.81Å; W403-S809 PolarHBondContact NE1-OG 3.32Å; W403-W811 HydrophobicContact CD2-CB 3.35Å; W403-W811 AromaticContact CD2-CG 3.9Å; W403-W811 HydrophobicContact CD2-CG 3.9Å; W403-W811 HydrophobicContact CE3-CB 3.59Å; W403-W811 HydrophobicContact CE3-CD2 4Å; W403-W811 HydrophobicContact CE3-CE3 4.22Å; W403-W811 AromaticContact CE3-CG 3.73Å; W403-W811 HydrophobicContact CE3-CG 3.73Å; W403-W811 HydrophobicContact CG-CB 3.78Å; W403-W811 HydrophobicContact CG-CG 4.28Å; W403-W811 HydrophobicContact CH2-CB 3.85Å; W403-W811 HydrophobicContact CH2-CE3 4.2Å; W403-W811 HydrophobicContact CZ2-CB 3.62Å; W403-W811 HydrophobicContact CZ3-CB 3.83Å; W403-W811 AromaticContact CZ3-CD2 3.99Å; W403-W811 HydrophobicContact CZ3-CD2 3.99Å; W403-W811 AromaticContact CZ3-CE3 3.72Å; W403-W811 HydrophobicContact CZ3-CE3 3.72Å; W403-W811 HydrophobicContact CZ3-CG 4.05Å; W403-F818 HydrophobicContact CH2-CB 3.97Å; W403-F818 HydrophobicContact CZ2-CB 4.23Å; W403-A820 HydrophobicContact CZ2-CB 3.57Å; W403-L830 HydrophobicContact CH2-CD1 4.27Å; W403-L830 HydrophobicContact CH2-CD2 3.79Å; W403-L830 HydrophobicContact CZ2-CD2 3.93Å
404	H	94.2	Very high	92.2	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.019	18%	0.176	C	C	.	.			trans	-66.7	130.3	173.1	-171.8	-64.2	0	0	0	109.4	N406 I407 I410 F464 S469	H404-N406 PolarHBondContact ND1-N 3.02Å; H404-N406 VanDerWaalsContact ND1-N 3.17Å; H404-N406 PolarHBondContact O-N 3.41Å; H404-I407 PolarHBondContact ND1-N 3.14Å; H404-I410 HydrophobicContact CB-CB 3.8Å; H404-I410 HydrophobicContact CB-CG2 3.91Å; H404-I410 PolarHBondContact N-O 2.88Å; H404-I410 VanDerWaalsContact N-O 3.08Å; H404-F464 AromaticContact CD2-CE1 3.78Å; H404-S469 VanDerWaalsContact CE1-CB 3.45Å; H404-S469 WeakPolarHBondContact CE1-CB 3.4Å
405	P	89.8	Confident	92.5	Very high	61 Å²	61	30 Å²	30	40%	0.396	16%	0.155	S	C	.	.	S	Bend	trans	-64.8	-40.3	-171.5	21.3	-32.5	0	0	0	113.5	F464	P405-F464 HydrophobicContact CG-CB 4.1Å
406	N	88	Confident	92.8	Very high	103 Å²	103	25.3 Å²	25.3	55%	0.551	13%	0.131	S	C	*	.	S	Bend	trans	-100.8	-45.1	-174.7	-58.3	60.6	0	0	0	114	H404 K408 S469	H404-N406 PolarHBondContact ND1-N 3.02Å; H404-N406 VanDerWaalsContact ND1-N 3.17Å; H404-N406 PolarHBondContact O-N 3.41Å; N406-K408 PolarHBondContact O-N 3.21Å; N406-S469 WeakPolarHBondContact OD1-CB 3.39Å
407	I	88.5	Confident	92.6	Very high	28 Å²	28	25.7 Å²	25.7	14%	0.144	13%	0.133	C	C	.	.	S	Bend	trans	-84.8	113.4	-174.5	-52.6	171.2	0	0	0	110.4	H404 I410 I490 L493 T494	H404-I407 PolarHBondContact ND1-N 3.14Å; I407-I410 HydrophobicContact CB-CG1 4.09Å; I407-I410 HydrophobicContact CG2-CB 4.5Å; I407-I410 HydrophobicContact CG2-CG1 3.57Å; I407-I490 HydrophobicContact CD1-CD1 3.66Å; I407-I490 HydrophobicContact CD1-CG1 4.27Å; I407-L493 HydrophobicContact CD1-CB 4.22Å; I407-T494 HydrophobicContact CD1-CG2 3.5Å; I407-T494 VanDerWaalsContact CD1-CG2 3.5Å; I407-T494 HydrophobicContact CG1-CG2 3.91Å; I407-T494 HydrophobicContact CG2-CG2 4.49Å
408	K	86.2	Confident	92.3	Very high	142 Å²	142	31.6 Å²	31.6	62%	0.617	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	132.7	-179.6	-57.2	-169.6	177.5	177	0	111.6	N406 W811	N406-K408 PolarHBondContact O-N 3.21Å; K408-W811 HydrophobicContact CB-CH2 3.86Å; K408-W811 HydrophobicContact CB-CZ2 3.76Å; K408-W811 HydrophobicContact CD-CH2 4.34Å; K408-W811 HydrophobicContact CD-CZ2 4Å; K408-W811 HydrophobicContact CG-CH2 4.26Å; K408-W811 HydrophobicContact CG-CZ2 3.74Å
409	G	86.6	Confident	91.8	Very high	4 Å²	4	33.2 Å²	33.2	4%	0.041	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	14.2	178.1	0	0	0	0	0	114.7	S442 F443	G409-S442 CarbonylContact O-C 3.57Å; G409-S442 WeakPolarHBondContact O-CA 3.48Å; G409-F443 VanDerWaalsContact CA-CD2 3.46Å; G409-F443 VanDerWaalsContact O-CD1 3.25Å; G409-F443 WeakPolarHBondContact O-CD1 3.49Å; G409-F443 PolarHBondContact O-N 3.39Å
410	I	93.1	Very high	91.4	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	131.1	167.1	-59.5	-62.8	0	0	0	109.3	H404 I407 L440 W441 L493	H404-I410 HydrophobicContact CB-CB 3.8Å; H404-I410 HydrophobicContact CB-CG2 3.91Å; H404-I410 PolarHBondContact N-O 2.88Å; H404-I410 VanDerWaalsContact N-O 3.08Å; I407-I410 HydrophobicContact CB-CG1 4.09Å; I407-I410 HydrophobicContact CG2-CB 4.5Å; I407-I410 HydrophobicContact CG2-CG1 3.57Å; I410-L440 HydrophobicContact CG2-CD2 4.13Å; I410-W441 VanDerWaalsContact CA-O 3.3Å; I410-W441 WeakPolarHBondContact CA-O 3.48Å; I410-L493 HydrophobicContact CD1-CD2 4.48Å
411	I	94.8	Very high	90.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	133.7	178.9	-51.1	-174.2	0	0	0	108.7	I401 W403 L440 W441 F443 L828 L830	I401-I411 HydrophobicContact CG2-CG2 3.67Å; W403-I411 HydrophobicContact CD2-CD1 4.19Å; W403-I411 HydrophobicContact CD2-CG1 4.04Å; W403-I411 HydrophobicContact CE3-CD1 3.73Å; W403-I411 HydrophobicContact CE3-CG1 3.44Å; W403-I411 VanDerWaalsContact CE3-CG1 3.44Å; W403-I411 HydrophobicContact CH2-CD1 3.3Å; W403-I411 HydrophobicContact CH2-CG1 4.01Å; W403-I411 HydrophobicContact CZ2-CD1 3.81Å; W403-I411 HydrophobicContact CZ3-CD1 3.26Å; W403-I411 HydrophobicContact CZ3-CG1 3.42Å; W403-I411 VanDerWaalsContact CZ3-CG1 3.42Å; I411-L440 CarbonylContact O-C 3.44Å; I411-L440 WeakPolarHBondContact O-CA 3.48Å; I411-W441 PolarHBondContact N-O 2.79Å; I411-W441 VanDerWaalsContact N-O 3.07Å; I411-W441 PolarHBondContact O-N 3.21Å; I411-F443 HydrophobicContact CD1-CE1 3.69Å; I411-F443 HydrophobicContact CD1-CZ 4.29Å; I411-F443 HydrophobicContact CG1-CE1 4.02Å; I411-L828 HydrophobicContact CB-CD2 4.3Å; I411-L828 HydrophobicContact CD1-CD2 4.28Å; I411-L828 HydrophobicContact CG2-CD2 3.94Å; I411-L830 HydrophobicContact CD1-CD1 3.69Å; I411-L830 HydrophobicContact CD1-CD2 3.53Å; I411-L830 HydrophobicContact CD1-CG 4.14Å
412	A	95.8	Very high	90.1	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	142	170.2	0	0	0	0	0	111	Q402 I438 I439 L440 F462 F464	Q402-A412 PolarHBondContact N-O 3.21Å; Q402-A412 PolarHBondContact O-N 2.91Å; A412-I438 HydrophobicContact CB-CG2 4Å; A412-I439 CarbonylContact C-O 3.53Å; A412-I439 VanDerWaalsContact CA-O 3.29Å; A412-I439 WeakPolarHBondContact CA-O 3.4Å; A412-L440 HydrophobicContact CB-CD1 4.29Å; A412-L440 HydrophobicContact CB-CG 4.11Å; A412-F462 HydrophobicContact CB-CE2 3.54Å; A412-F462 HydrophobicContact CB-CZ 3.56Å; A412-F464 HydrophobicContact CB-CE2 3.58Å; A412-F464 HydrophobicContact CB-CZ 3.78Å
413	T	96.2	Very high	89.6	Confident	1 Å²	1	50 Å²	50	1%	0.006	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	126.4	174.7	55.8	0	0	0	0	110	M400 I401 I438 I439 W441 L828	M400-T413 WeakPolarHBondContact O-CA 3.47Å; I401-T413 HydrophobicContact CG1-CG2 4.21Å; T413-I438 WeakPolarHBondContact O-CA 3.44Å; T413-I438 WeakPolarHBondContact O-CG2 3.37Å; T413-I439 PolarHBondContact N-O 3.13Å; T413-I439 PolarHBondContact O-N 3.43Å; T413-I439 PolarHBondContact OG1-O 3.45Å; T413-W441 PolarHBondContact OG1-NE1 3.07Å; T413-W441 VanDerWaalsContact OG1-NE1 3.09Å; T413-L828 HydrophobicContact CG2-CB 4.25Å; T413-L828 HydrophobicContact CG2-CD1 4Å; T413-L828 HydrophobicContact CG2-CD2 3.69Å; T413-L828 HydrophobicContact CG2-CG 4.19Å
414	S	94.9	Very high	89.1	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	143.8	168.7	52.2	0	0	0	0	109.9	I398 T399 M400 F462	I398-S414 WeakPolarHBondContact CA-O 3.31Å; T399-S414 PolarHBondContact N-O 2.87Å; T399-S414 VanDerWaalsContact OG1-CB 3.31Å; T399-S414 WeakPolarHBondContact OG1-CB 2.99Å; T399-S414 PolarHBondContact OG1-O 2.8Å; T399-S414 PolarHBondContact OG1-OG 2.79Å; M400-S414 WeakPolarHBondContact CB-OG 3.4Å; M400-S414 PolarHBondContact N-OG 2.62Å; M400-S414 PolarHBondContact O-N 2.94Å; M400-S414 PolarHBondContact O-OG 2.9Å; S414-F462 WeakPolarHBondContact OG-CD1 3.33Å; S414-F462 WeakPolarHBondContact OG-CE1 3.47Å
415	I	92.6	Very high	88.7	Confident	6 Å²	6	55.4 Å²	55.4	3%	0.031	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	134.4	-172.1	-59.2	176.3	0	0	0	108.2	K396 A397 I439	K396-I415 HydrophobicContact CB-CG2 3.2Å; K396-I415 HydrophobicContact CD-CG2 3.49Å; K396-I415 VanDerWaalsContact CD-CG2 3.49Å; K396-I415 HydrophobicContact CG-CG2 3.98Å; A397-I415 WeakPolarHBondContact O-CA 3.47Å; I415-I439 HydrophobicContact CD1-CB 4.4Å; I415-I439 HydrophobicContact CD1-CD1 3.2Å; I415-I439 HydrophobicContact CD1-CG1 3.52Å
416	S	90.6	Very high	88.6	Confident	12 Å²	12	59.1 Å²	59.1	8%	0.084	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	156.9	176.6	71.7	0	0	0	0	112	K396 A397 T399 R418 D458	K396-S416 WeakPolarHBondContact CB-O 3.1Å; A397-S416 PolarHBondContact N-O 3.16Å; A397-S416 PolarHBondContact O-N 2.83Å; T399-S416 WeakPolarHBondContact CG2-OG 3.46Å; S416-R418 PolarHBondContact O-N 3.48Å; S416-D458 WeakPolarHBondContact CA-OD1 3.33Å
417	E	88.5	Confident	88.4	Confident	25 Å²	25	57.8 Å²	57.8	12%	0.117	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	132.6	171.8	-66.9	-76.9	125.9	0	0	111	K396 I419 R430 D458	K396-E417 WeakPolarHBondContact CE-OE1 3.5Å; K396-E417 IonicContact NZ-OE1 2.74Å; K396-E417 PolarHBondContact NZ-OE1 2.88Å; E417-I419 VanDerWaalsContact C-N 3.34Å; E417-I419 HydrophobicContact CB-CD1 3.81Å; E417-I419 HydrophobicContact CB-CG1 4.07Å; E417-I419 HydrophobicContact CG-CD1 4.39Å; E417-I419 PolarHBondContact O-N 2.71Å; E417-I419 VanDerWaalsContact O-N 3.13Å; E417-R430 IonicContact OE2-CZ 2.73Å; E417-R430 IonicContact OE2-NH1 2.68Å; E417-R430 PolarHBondContact OE2-NH1 2.96Å; E417-R430 IonicContact OE2-NH2 2.86Å; E417-R430 PolarHBondContact OE2-NH2 3.19Å; E417-D458 PolarHBondContact N-OD1 3.44Å
418	R	86.7	Confident	88	Confident	136 Å²	136	58.3 Å²	58.3	51%	0.513	28%	0.279	S	S	.	.			trans	-87.4	71.5	179.4	-174	-158	171.3	-170.1	-4.6	110.4	A397 S416 I824	A397-R418 HydrophobicContact CB-CB 4.39Å; S416-R418 PolarHBondContact O-N 3.48Å; R418-I824 HydrophobicContact CG-CD1 4.15Å; R418-I824 HydrophobicContact CG-CG1 3.92Å
419	I	84.1	Confident	87.9	Confident	35 Å²	35	56 Å²	56	18%	0.179	28%	0.28	C	S	.	.			trans	-134	137	-171.8	-56	174.5	0	0	0	109.3	E417 Q423 R424 I431	E417-I419 VanDerWaalsContact C-N 3.34Å; E417-I419 HydrophobicContact CB-CD1 3.81Å; E417-I419 HydrophobicContact CB-CG1 4.07Å; E417-I419 HydrophobicContact CG-CD1 4.39Å; E417-I419 PolarHBondContact O-N 2.71Å; E417-I419 VanDerWaalsContact O-N 3.13Å; I419-Q423 HydrophobicContact CG2-CB 3.24Å; I419-Q423 HydrophobicContact CG2-CG 4.44Å; I419-R424 HydrophobicContact CG2-CB 4.36Å; I419-I431 HydrophobicContact CD1-CD1 4.2Å
420	I	85.1	Confident	87.8	Confident	102 Å²	102	60.4 Å²	60.4	52%	0.523	30%	0.296	S	S	.	.			trans	-69.2	158.7	174.5	59.5	171.9	0	0	0	111	D422 Q423 R424	I420-D422 PolarHBondContact O-N 2.58Å; I420-Q423 HydrophobicContact CD1-CG 3.92Å; I420-Q423 HydrophobicContact CG1-CB 3.79Å; I420-Q423 VanDerWaalsContact CG1-CD 3.49Å; I420-Q423 HydrophobicContact CG1-CG 3.57Å; I420-Q423 PolarHBondContact O-N 2.65Å; I420-R424 PolarHBondContact O-N 2.96Å
421	Y	81.9	Confident	87.3	Confident	171 Å²	171	60.8 Å²	60.8	67%	0.671	30%	0.298	S	S	*	.	H	α-helix	trans	-53.8	-47.9	-174	-179.6	-103.5	0	0	0	113.7	Q423 R424 I425	Y421-Q423 PolarHBondContact O-N 3.18Å; Y421-R424 WeakPolarHBondContact O-CB 3.16Å; Y421-R424 PolarHBondContact O-N 2.79Å; Y421-R424 VanDerWaalsContact O-N 3.08Å; Y421-I425 HydrophobicContact CD1-CD1 3.9Å; Y421-I425 HydrophobicContact CE1-CD1 3.34Å; Y421-I425 HydrophobicContact CE1-CG1 4.32Å; Y421-I425 HydrophobicContact CE2-CD1 4.42Å; Y421-I425 PolarHBondContact O-N 3.19Å
422	D	84.5	Confident	86.5	Confident	105 Å²	105	67.5 Å²	67.5	56%	0.561	33%	0.333	S	S	*	.	H	α-helix	trans	-62.2	-44.3	-179.3	-58.7	-36.9	0	0	0	112	I420 R424 I425 D426	I420-D422 PolarHBondContact O-N 2.58Å; D422-R424 VanDerWaalsContact C-N 3.27Å; D422-R424 PolarHBondContact O-N 2.68Å; D422-I425 WeakPolarHBondContact O-CB 3.29Å; D422-I425 PolarHBondContact O-N 3.29Å; D422-I425 VanDerWaalsContact O-N 3.13Å; D422-D426 PolarHBondContact O-N 2.92Å
423	Q	85.7	Confident	85.7	Confident	91 Å²	91	74.7 Å²	74.7	43%	0.425	37%	0.371	S	S	.	.	H	α-helix	trans	-66	-30.3	175.9	-72.4	176	1.7	0	0	112.4	I419 I420 Y421 I425 D426 Q427	I419-Q423 HydrophobicContact CG2-CB 3.24Å; I419-Q423 HydrophobicContact CG2-CG 4.44Å; I420-Q423 HydrophobicContact CD1-CG 3.92Å; I420-Q423 HydrophobicContact CG1-CB 3.79Å; I420-Q423 VanDerWaalsContact CG1-CD 3.49Å; I420-Q423 HydrophobicContact CG1-CG 3.57Å; I420-Q423 PolarHBondContact O-N 2.65Å; Y421-Q423 PolarHBondContact O-N 3.18Å; Q423-I425 VanDerWaalsContact C-N 3.34Å; Q423-D426 PolarHBondContact O-N 3.31Å; Q423-Q427 VanDerWaalsContact O-CB 3.31Å; Q423-Q427 WeakPolarHBondContact O-CB 3.35Å; Q423-Q427 WeakPolarHBondContact O-CG 3.29Å; Q423-Q427 PolarHBondContact O-N 3.42Å
424	R	84	Confident	84.9	Confident	47 Å²	47	78.1 Å²	78.1	18%	0.177	39%	0.386	C	S	.	.	H	α-helix	trans	-66.5	-37.7	173.8	173.1	176.9	-66.2	-92.1	-1.3	110.8	I419 I420 Y421 D422 Q427 A428 I431 D458	I419-R424 HydrophobicContact CG2-CB 4.36Å; I420-R424 PolarHBondContact O-N 2.96Å; Y421-R424 WeakPolarHBondContact O-CB 3.16Å; Y421-R424 PolarHBondContact O-N 2.79Å; Y421-R424 VanDerWaalsContact O-N 3.08Å; D422-R424 VanDerWaalsContact C-N 3.27Å; D422-R424 PolarHBondContact O-N 2.68Å; R424-Q427 CarbonylContact O-C 3.58Å; R424-A428 VanDerWaalsContact O-CA 3.31Å; R424-A428 WeakPolarHBondContact O-CA 2.88Å; R424-A428 PolarHBondContact O-N 3.06Å; R424-I431 HydrophobicContact CB-CD1 4.1Å; R424-I431 HydrophobicContact CG-CD1 3.72Å; R424-D458 IonicContact CZ-OD2 3.57Å; R424-D458 IonicContact NH1-OD2 2.84Å; R424-D458 PolarHBondContact NH1-OD2 3.35Å; R424-D458 IonicContact NH2-OD2 3.49Å; R424-D458 PolarHBondContact NH2-OD2 2.9Å
425	I	84.7	Confident	84.1	Confident	93 Å²	93	81.3 Å²	81.3	48%	0.477	41%	0.407	S	S	.	.	H	α-helix	trans	-64.8	-50.1	173.9	-65.6	170	0	0	0	110.2	Y421 D422 Q423 Q427 A428	Y421-I425 HydrophobicContact CD1-CD1 3.9Å; Y421-I425 HydrophobicContact CE1-CD1 3.34Å; Y421-I425 HydrophobicContact CE1-CG1 4.32Å; Y421-I425 HydrophobicContact CE2-CD1 4.42Å; Y421-I425 PolarHBondContact O-N 3.19Å; D422-I425 WeakPolarHBondContact O-CB 3.29Å; D422-I425 PolarHBondContact O-N 3.29Å; D422-I425 VanDerWaalsContact O-N 3.13Å; Q423-I425 VanDerWaalsContact C-N 3.34Å; I425-Q427 PolarHBondContact O-N 3.13Å; I425-A428 VanDerWaalsContact O-CB 3.32Å; I425-A428 WeakPolarHBondContact O-CB 3.36Å; I425-A428 PolarHBondContact O-N 3.35Å; I425-A428 VanDerWaalsContact O-N 3.16Å
426	D	87.6	Confident	83.9	Confident	138 Å²	138	81.3 Å²	81.3	74%	0.738	41%	0.408	S	S	*	.	H	α-helix	trans	-60.2	-31.9	-179.2	-69.2	-23.4	0	0	0	112.5	D422 Q423	D422-D426 PolarHBondContact O-N 2.92Å; Q423-D426 PolarHBondContact O-N 3.31Å
427	Q	84.2	Confident	83.9	Confident	76 Å²	76	82 Å²	82	36%	0.355	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	17.1	-178	-58.1	-177.5	6.2	0	0	113.3	Q423 R424 I425 S429 R430 I431	Q423-Q427 VanDerWaalsContact O-CB 3.31Å; Q423-Q427 WeakPolarHBondContact O-CB 3.35Å; Q423-Q427 WeakPolarHBondContact O-CG 3.29Å; Q423-Q427 PolarHBondContact O-N 3.42Å; R424-Q427 CarbonylContact O-C 3.58Å; I425-Q427 PolarHBondContact O-N 3.13Å; Q427-S429 VanDerWaalsContact C-N 3.27Å; Q427-S429 PolarHBondContact O-N 3.5Å; Q427-R430 WeakPolarHBondContact O-CB 3.3Å; Q427-R430 PolarHBondContact O-N 3.16Å; Q427-I431 HydrophobicContact CB-CD1 4.39Å; Q427-I431 WeakPolarHBondContact O-CG1 3.4Å; Q427-I431 PolarHBondContact O-N 3.03Å
428	A	80.9	Confident	84.2	Confident	39 Å²	39	80.8 Å²	80.8	32%	0.322	40%	0.404	S	S	.	.	H	α-helix	trans	-53.3	-44.1	-174.4	0	0	0	0	0	112.1	R424 I425 R430 I431 L432	R424-A428 VanDerWaalsContact O-CA 3.31Å; R424-A428 WeakPolarHBondContact O-CA 2.88Å; R424-A428 PolarHBondContact O-N 3.06Å; I425-A428 VanDerWaalsContact O-CB 3.32Å; I425-A428 WeakPolarHBondContact O-CB 3.36Å; I425-A428 PolarHBondContact O-N 3.35Å; I425-A428 VanDerWaalsContact O-N 3.16Å; A428-R430 VanDerWaalsContact C-N 3.3Å; A428-R430 PolarHBondContact O-N 3.08Å; A428-I431 PolarHBondContact O-N 3.01Å; A428-L432 WeakPolarHBondContact O-CB 3.36Å; A428-L432 VanDerWaalsContact O-CG 3.26Å; A428-L432 WeakPolarHBondContact O-CG 3.49Å; A428-L432 PolarHBondContact O-N 2.89Å
429	S	84.2	Confident	84.6	Confident	94 Å²	94	74.3 Å²	74.3	66%	0.657	38%	0.379	S	S	*	.	H	α-helix	trans	-60.2	-36.1	177.3	-54.9	0	0	0	0	113.3	Q427 L433	Q427-S429 VanDerWaalsContact C-N 3.27Å; Q427-S429 PolarHBondContact O-N 3.5Å; S429-L433 WeakPolarHBondContact O-CD1 3.44Å; S429-L433 VanDerWaalsContact O-CG 3.24Å; S429-L433 WeakPolarHBondContact O-CG 3.2Å; S429-L433 PolarHBondContact O-N 3.26Å
430	R	84.7	Confident	85.1	Confident	95 Å²	95	72.6 Å²	72.6	36%	0.358	37%	0.371	S	S	.	.	H	α-helix	trans	-70.3	-44.9	176.9	-178.8	-174.3	66.6	81.3	-4.6	110.7	E417 Q427 A428 L433 Q434	E417-R430 IonicContact OE2-CZ 2.73Å; E417-R430 IonicContact OE2-NH1 2.68Å; E417-R430 PolarHBondContact OE2-NH1 2.96Å; E417-R430 IonicContact OE2-NH2 2.86Å; E417-R430 PolarHBondContact OE2-NH2 3.19Å; Q427-R430 WeakPolarHBondContact O-CB 3.3Å; Q427-R430 PolarHBondContact O-N 3.16Å; A428-R430 VanDerWaalsContact C-N 3.3Å; A428-R430 PolarHBondContact O-N 3.08Å; R430-L433 PolarHBondContact O-N 3.18Å; R430-Q434 VanDerWaalsContact NH1-OE1 3.15Å; R430-Q434 PolarHBondContact O-N 3.49Å
431	I	81.6	Confident	85.6	Confident	11 Å²	11	67.9 Å²	67.9	6%	0.056	35%	0.346	C	S	.	.	H	α-helix	trans	-64.9	-44.3	-177	-64.5	170.2	0	0	0	109.9	I419 R424 Q427 A428 L433 Q434	I419-I431 HydrophobicContact CD1-CD1 4.2Å; R424-I431 HydrophobicContact CB-CD1 4.1Å; R424-I431 HydrophobicContact CG-CD1 3.72Å; Q427-I431 HydrophobicContact CB-CD1 4.39Å; Q427-I431 WeakPolarHBondContact O-CG1 3.4Å; Q427-I431 PolarHBondContact O-N 3.03Å; A428-I431 PolarHBondContact O-N 3.01Å; I431-L433 PolarHBondContact O-N 3.42Å; I431-Q434 PolarHBondContact O-N 3.4Å; I431-Q434 VanDerWaalsContact O-N 3.11Å
432	L	77.7	Confident	86.1	Confident	140 Å²	140	59.8 Å²	59.8	73%	0.733	32%	0.315	S	S	*	.	H	α-helix	trans	-62.4	-27.5	177.3	-70.9	171.8	0	0	0	113.8	A428	A428-L432 WeakPolarHBondContact O-CB 3.36Å; A428-L432 VanDerWaalsContact O-CG 3.26Å; A428-L432 WeakPolarHBondContact O-CG 3.49Å; A428-L432 PolarHBondContact O-N 2.89Å
433	L	79.3	Confident	86.3	Confident	152 Å²	152	56.5 Å²	56.5	80%	0.796	30%	0.295	S	S	*	.	H	α-helix	trans	-86.3	-16.1	178.2	-69.7	172.6	0	0	0	113.1	S429 R430 I431 P435	S429-L433 WeakPolarHBondContact O-CD1 3.44Å; S429-L433 VanDerWaalsContact O-CG 3.24Å; S429-L433 WeakPolarHBondContact O-CG 3.2Å; S429-L433 PolarHBondContact O-N 3.26Å; R430-L433 PolarHBondContact O-N 3.18Å; I431-L433 PolarHBondContact O-N 3.42Å; L433-P435 WeakPolarHBondContact O-CD 3.34Å
434	Q	80.2	Confident	86.4	Confident	72 Å²	72	55 Å²	55	34%	0.336	29%	0.29	S	S	.	.	S	Bend	trans	-99.4	111	-174.9	-172.3	174.3	-9	0	0	110.4	K396 R430 I431 T436	K396-Q434 VanDerWaalsContact NZ-NE2 3.11Å; R430-Q434 VanDerWaalsContact NH1-OE1 3.15Å; R430-Q434 PolarHBondContact O-N 3.49Å; I431-Q434 PolarHBondContact O-N 3.4Å; I431-Q434 VanDerWaalsContact O-N 3.11Å; Q434-T436 PolarHBondContact O-N 3.02Å
435	P	76.8	Confident	86.5	Confident	68 Å²	68	54 Å²	54	44%	0.442	29%	0.288	S	S	.	.			trans	-66.4	132.9	179.6	25.8	-33	0	0	0	111.3	L433 H437	L433-P435 WeakPolarHBondContact O-CD 3.34Å; P435-H437 PolarHBondContact O-CE1 3.45Å; P435-H437 VanDerWaalsContact O-CE1 3.29Å; P435-H437 PolarHBondContact O-ND1 2.74Å; P435-H437 VanDerWaalsContact O-ND1 3.16Å
436	T	89.4	Confident	86.5	Confident	6 Å²	6	51.3 Å²	51.3	4%	0.037	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	152.3	174.9	56.4	0	0	0	0	109	Q434 A455 D457 D458	Q434-T436 PolarHBondContact O-N 3.02Å; T436-A455 PolarHBondContact O-N 3.49Å; T436-A455 WeakPolarHBondContact OG1-CB 3.42Å; T436-A455 PolarHBondContact OG1-O 2.93Å; T436-D457 PolarHBondContact OG1-O 3.23Å; T436-D458 WeakPolarHBondContact CG2-OD1 3.42Å
437	H	90.8	Very high	86.4	Confident	25 Å²	25	52 Å²	52	12%	0.116	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	142.2	-174	-57.6	80.6	0	0	0	111.9	P435 L452 L453	P435-H437 PolarHBondContact O-CE1 3.45Å; P435-H437 VanDerWaalsContact O-CE1 3.29Å; P435-H437 PolarHBondContact O-ND1 2.74Å; P435-H437 VanDerWaalsContact O-ND1 3.16Å; H437-L452 HydrophobicContact CB-CB 4.48Å; H437-L452 HydrophobicContact CB-CD2 4.44Å; H437-L453 CarbonylContact C-O 3.39Å; H437-L453 WeakPolarHBondContact CA-O 3.34Å
438	I	94.6	Very high	86.5	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	131.5	155.3	-54.2	174.3	0	0	0	107	A412 T413 L440 L452 L453 I459 F462 W484	A412-I438 HydrophobicContact CB-CG2 4Å; T413-I438 WeakPolarHBondContact O-CA 3.44Å; T413-I438 WeakPolarHBondContact O-CG2 3.37Å; I438-L440 HydrophobicContact CG2-CD1 4.36Å; I438-L452 CarbonylContact O-C 3.39Å; I438-L452 WeakPolarHBondContact O-CA 3.42Å; I438-L453 HydrophobicContact CB-CB 3.99Å; I438-L453 HydrophobicContact CB-CD1 4.05Å; I438-L453 HydrophobicContact CB-CG 4.18Å; I438-L453 HydrophobicContact CD1-CD1 4.09Å; I438-L453 HydrophobicContact CG2-CD1 4.28Å; I438-L453 PolarHBondContact N-O 3.36Å; I438-L453 PolarHBondContact O-N 2.91Å; I438-I459 HydrophobicContact CD1-CD1 3.71Å; I438-I459 HydrophobicContact CG1-CD1 3.4Å; I438-F462 HydrophobicContact CD1-CB 4.07Å; I438-F462 HydrophobicContact CD1-CD1 4.3Å; I438-F462 HydrophobicContact CD1-CD2 3.9Å; I438-F462 HydrophobicContact CD1-CE2 4.45Å; I438-F462 HydrophobicContact CD1-CG 3.81Å; I438-F462 HydrophobicContact CG2-CE1 4.39Å; I438-F462 HydrophobicContact CG2-CE2 4.09Å; I438-F462 HydrophobicContact CG2-CZ 4.01Å; I438-W484 HydrophobicContact CD1-CE3 4.34Å; I438-W484 HydrophobicContact CD1-CH2 3.8Å; I438-W484 HydrophobicContact CD1-CZ2 4.29Å; I438-W484 HydrophobicContact CD1-CZ3 3.82Å
439	I	94.6	Very high	86.9	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	129.4	177.8	-51.7	-170.5	0	0	0	109.7	Y392 A412 T413 I415 W441 P449 L452	Y392-I439 VanDerWaalsContact CB-CD1 3.47Å; A412-I439 CarbonylContact C-O 3.53Å; A412-I439 VanDerWaalsContact CA-O 3.29Å; A412-I439 WeakPolarHBondContact CA-O 3.4Å; T413-I439 PolarHBondContact N-O 3.13Å; T413-I439 PolarHBondContact O-N 3.43Å; T413-I439 PolarHBondContact OG1-O 3.45Å; I415-I439 HydrophobicContact CD1-CB 4.4Å; I415-I439 HydrophobicContact CD1-CD1 3.2Å; I415-I439 HydrophobicContact CD1-CG1 3.52Å; I439-W441 HydrophobicContact CB-CZ2 4.3Å; I439-W441 HydrophobicContact CD1-CZ2 4.08Å; I439-W441 HydrophobicContact CG2-CD2 3.91Å; I439-W441 VanDerWaalsContact CG2-CE2 3.41Å; I439-W441 HydrophobicContact CG2-CE3 4.42Å; I439-W441 HydrophobicContact CG2-CG 4.45Å; I439-W441 HydrophobicContact CG2-CH2 4.21Å; I439-W441 HydrophobicContact CG2-CZ2 3.59Å; I439-P449 HydrophobicContact CG2-CB 3.37Å; I439-L452 HydrophobicContact CB-CD2 4.25Å; I439-L452 HydrophobicContact CD1-CD2 4.21Å; I439-L452 HydrophobicContact CG1-CD2 3.72Å; I439-L452 HydrophobicContact CG2-CD2 4.06Å
440	L	95.4	Very high	87.2	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	127	168.5	-76	75.2	0	0	0	110.3	I410 I411 A412 I438 Q450 L451 L453 F464 L493	I410-L440 HydrophobicContact CG2-CD2 4.13Å; I411-L440 CarbonylContact O-C 3.44Å; I411-L440 WeakPolarHBondContact O-CA 3.48Å; A412-L440 HydrophobicContact CB-CD1 4.29Å; A412-L440 HydrophobicContact CB-CG 4.11Å; I438-L440 HydrophobicContact CG2-CD1 4.36Å; L440-Q450 PolarHBondContact O-N 2.89Å; L440-L451 HydrophobicContact CB-CB 4.13Å; L440-L451 HydrophobicContact CD1-CB 4.45Å; L440-L451 HydrophobicContact CD2-CB 4.45Å; L440-L451 HydrophobicContact CD2-CD2 4.23Å; L440-L451 PolarHBondContact N-O 3.07Å; L440-L453 HydrophobicContact CD1-CD1 3.89Å; L440-L453 HydrophobicContact CD1-CD2 4.32Å; L440-L453 HydrophobicContact CD1-CG 3.84Å; L440-F464 HydrophobicContact CD2-CZ 4.45Å; L440-L493 HydrophobicContact CB-CD2 4.48Å; L440-L493 HydrophobicContact CD2-CD1 3.8Å; L440-L493 HydrophobicContact CD2-CD2 4.15Å
441	W	94.4	Very high	87.6	Confident	3 Å²	3	41 Å²	41	1%	0.011	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	154.1	179.3	-58.9	105.6	0	0	0	111.1	F387 D389 I410 I411 T413 I439 P449 L828	F387-W441 HydrophobicContact CB-CD2 3.75Å; F387-W441 HydrophobicContact CB-CE3 3.96Å; F387-W441 HydrophobicContact CB-CG 4.08Å; F387-W441 HydrophobicContact CB-CH2 4.4Å; F387-W441 HydrophobicContact CB-CZ2 4.29Å; F387-W441 HydrophobicContact CB-CZ3 4.28Å; F387-W441 HydrophobicContact CD1-CB 3.77Å; F387-W441 AromaticContact CD1-CD2 4Å; F387-W441 HydrophobicContact CD1-CD2 4Å; F387-W441 AromaticContact CD1-CE3 3.81Å; F387-W441 HydrophobicContact CD1-CE3 3.81Å; F387-W441 HydrophobicContact CD1-CG 4.02Å; F387-W441 HydrophobicContact CE1-CB 3.96Å; F387-W441 HydrophobicContact CG-CB 4.13Å; F387-W441 HydrophobicContact CG-CD2 4.11Å; F387-W441 HydrophobicContact CG-CE3 4.27Å; F387-W441 HydrophobicContact CG-CG 4.06Å; D389-W441 HydrophobicContact CB-CH2 3.67Å; D389-W441 HydrophobicContact CB-CZ2 4.43Å; I410-W441 VanDerWaalsContact CA-O 3.3Å; I410-W441 WeakPolarHBondContact CA-O 3.48Å; I411-W441 PolarHBondContact N-O 2.79Å; I411-W441 VanDerWaalsContact N-O 3.07Å; I411-W441 PolarHBondContact O-N 3.21Å; T413-W441 PolarHBondContact OG1-NE1 3.07Å; T413-W441 VanDerWaalsContact OG1-NE1 3.09Å; I439-W441 HydrophobicContact CB-CZ2 4.3Å; I439-W441 HydrophobicContact CD1-CZ2 4.08Å; I439-W441 HydrophobicContact CG2-CD2 3.91Å; I439-W441 VanDerWaalsContact CG2-CE2 3.41Å; I439-W441 HydrophobicContact CG2-CE3 4.42Å; I439-W441 HydrophobicContact CG2-CG 4.45Å; I439-W441 HydrophobicContact CG2-CH2 4.21Å; I439-W441 HydrophobicContact CG2-CZ2 3.59Å; W441-P449 HydrophobicContact CE3-CB 4.11Å; W441-P449 HydrophobicContact CH2-CB 4.14Å; W441-P449 HydrophobicContact CZ3-CB 3.81Å; W441-P449 HydrophobicContact CZ3-CG 4.36Å; W441-L828 HydrophobicContact CG-CD2 4.38Å
442	S	92.5	Very high	88.2	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.007	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	138.9	174	-174.6	0	0	0	0	112.2	G409 N444 D445	G409-S442 CarbonylContact O-C 3.57Å; G409-S442 WeakPolarHBondContact O-CA 3.48Å; S442-N444 PolarHBondContact O-N 3.16Å; S442-N444 VanDerWaalsContact O-N 3.13Å; S442-N444 PolarHBondContact OG-N 3.33Å; S442-D445 CarbonylContact O-C 3.19Å; S442-D445 PolarHBondContact O-N 3.2Å; S442-D445 VanDerWaalsContact O-N 3.17Å; S442-D445 VanDerWaalsContact O-O 3.09Å
443	F	89	Confident	89	Confident	36 Å²	36	33.8 Å²	33.8	16%	0.158	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-24.3	173.9	-69.7	7.2	0	0	0	113	F384 L385 F387 W403 G409 I411 W811 L830	F384-F443 AromaticContact CE1-CD2 3.99Å; F384-F443 HydrophobicContact CE1-CD2 3.99Å; F384-F443 HydrophobicContact CE1-CE2 4.05Å; F384-F443 HydrophobicContact CE1-CG 4.39Å; L385-F443 HydrophobicContact CD1-CB 4.17Å; L385-F443 HydrophobicContact CD1-CD1 4.1Å; L385-F443 HydrophobicContact CD1-CG 4.18Å; F387-F443 HydrophobicContact CZ-CD1 4Å; F387-F443 HydrophobicContact CZ-CE1 4.41Å; W403-F443 HydrophobicContact CH2-CE1 4.33Å; W403-F443 AromaticContact CH2-CZ 3.78Å; W403-F443 HydrophobicContact CH2-CZ 3.78Å; W403-F443 AromaticContact CZ3-CE1 3.94Å; W403-F443 HydrophobicContact CZ3-CE1 3.94Å; W403-F443 HydrophobicContact CZ3-CE2 4.45Å; W403-F443 AromaticContact CZ3-CZ 3.46Å; W403-F443 HydrophobicContact CZ3-CZ 3.46Å; W403-F443 VanDerWaalsContact CZ3-CZ 3.46Å; G409-F443 VanDerWaalsContact CA-CD2 3.46Å; G409-F443 VanDerWaalsContact O-CD1 3.25Å; G409-F443 WeakPolarHBondContact O-CD1 3.49Å; G409-F443 PolarHBondContact O-N 3.39Å; I411-F443 HydrophobicContact CD1-CE1 3.69Å; I411-F443 HydrophobicContact CD1-CZ 4.29Å; I411-F443 HydrophobicContact CG1-CE1 4.02Å; F443-W811 HydrophobicContact CE2-CE3 4.44Å; F443-W811 AromaticContact CE2-CZ3 3.97Å; F443-W811 HydrophobicContact CE2-CZ3 3.97Å; F443-L830 HydrophobicContact CD1-CD1 4.07Å; F443-L830 HydrophobicContact CE1-CD1 3.19Å; F443-L830 HydrophobicContact CZ-CD1 3.5Å; F443-L830 VanDerWaalsContact CZ-CD1 3.5Å
444	N	87.7	Confident	89.6	Confident	58 Å²	58	27.7 Å²	27.7	31%	0.31	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-22.4	-175.9	-59.1	-35	0	0	0	112.2	S442 V496 K497	S442-N444 PolarHBondContact O-N 3.16Å; S442-N444 VanDerWaalsContact O-N 3.13Å; S442-N444 PolarHBondContact OG-N 3.33Å; N444-V496 HydrophobicContact CB-CB 4.29Å; N444-V496 HydrophobicContact CB-CG1 3.95Å; N444-K497 HydrophobicContact CB-CG 3.73Å; N444-K497 WeakPolarHBondContact OD1-CE 3.46Å
445	D	86.8	Confident	90.1	Very high	26 Å²	26	24.4 Å²	24.4	14%	0.139	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-143.5	85.2	176.8	179.9	11.6	0	0	0	109.1	S442 L447 Q450 V496	S442-D445 CarbonylContact O-C 3.19Å; S442-D445 PolarHBondContact O-N 3.2Å; S442-D445 VanDerWaalsContact O-N 3.17Å; S442-D445 VanDerWaalsContact O-O 3.09Å; D445-L447 VanDerWaalsContact C-N 3.28Å; D445-L447 PolarHBondContact O-N 2.93Å; D445-L447 PolarHBondContact OD1-N 3.27Å; D445-Q450 PolarHBondContact OD2-NE2 2.75Å; D445-V496 HydrophobicContact CB-CG1 3.88Å
446	P	84.5	Confident	90.7	Very high	37 Å²	37	23.7 Å²	23.7	24%	0.24	13%	0.126	C	C	.	.	S	Bend	trans	-73.4	-15.6	-178.2	-18.9	33	0	0	0	115	L385 F387	L385-P446 HydrophobicContact CD1-CG 4.18Å; L385-P446 HydrophobicContact CD2-CB 4.32Å; L385-P446 HydrophobicContact CD2-CG 3.84Å; F387-P446 HydrophobicContact CD1-CB 4.12Å; F387-P446 HydrophobicContact CE1-CB 3.8Å; F387-P446 HydrophobicContact CE1-CG 4.46Å
447	L	84.2	Confident	90.7	Very high	154 Å²	154	24.7 Å²	24.7	81%	0.806	13%	0.131	S	C	*	.	S	Bend	trans	-85.3	-31.3	-172.2	-65.1	176.7	0	0	0	112.6	D445	D445-L447 VanDerWaalsContact C-N 3.28Å; D445-L447 PolarHBondContact O-N 2.93Å; D445-L447 PolarHBondContact OD1-N 3.27Å
448	K	86.5	Confident	90.8	Very high	54 Å²	54	23.5 Å²	23.5	24%	0.235	13%	0.125	C	C	.	.	S	Bend	trans	-119.7	133	-176.5	-167.5	-178.7	175.7	-174.1	0	111.2	Q450 L516 N517 K518 I519	K448-Q450 PolarHBondContact O-NE2 2.89Å; K448-L516 PolarHBondContact NZ-O 2.73Å; K448-N517 WeakPolarHBondContact CE-O 3.31Å; K448-N517 PolarHBondContact NZ-O 3.34Å; K448-K518 PolarHBondContact NZ-O 3.44Å; K448-K518 VanDerWaalsContact NZ-O 3.11Å; K448-I519 HydrophobicContact CD-CG1 4.45Å; K448-I519 HydrophobicContact CG-CG1 4.22Å
449	P	90.9	Very high	90.7	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.013	13%	0.126	C	C	.	.			trans	-62.7	142.3	170.2	28.3	-36	0	0	0	110.6	I439 W441 L452 I519	I439-P449 HydrophobicContact CG2-CB 3.37Å; W441-P449 HydrophobicContact CE3-CB 4.11Å; W441-P449 HydrophobicContact CH2-CB 4.14Å; W441-P449 HydrophobicContact CZ3-CB 3.81Å; W441-P449 HydrophobicContact CZ3-CG 4.36Å; P449-L452 HydrophobicContact CB-CD2 4.4Å; P449-I519 HydrophobicContact CG-CD1 3.47Å; P449-I519 VanDerWaalsContact CG-CD1 3.47Å; P449-I519 HydrophobicContact CG-CG1 3.99Å; P449-I519 HydrophobicContact CG-CG2 4.26Å; P449-I519 WeakPolarHBondContact O-CG2 3.37Å
450	Q	90.3	Very high	90.7	Very high	14 Å²	14	25.8 Å²	25.8	7%	0.065	14%	0.137	C	C	.	.	S	Bend	trans	-91.1	-39.6	-172.1	-63.8	-57.3	-53.4	0	0	113.1	L440 D445 K448 L493 V496	L440-Q450 PolarHBondContact O-N 2.89Å; D445-Q450 PolarHBondContact OD2-NE2 2.75Å; K448-Q450 PolarHBondContact O-NE2 2.89Å; Q450-L493 HydrophobicContact CB-CD2 3.86Å; Q450-V496 HydrophobicContact CG-CG2 4.36Å
451	L	92.7	Very high	90.7	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.01	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	137.3	179	-178.7	67.1	0	0	0	109.2	L440 L453 I486 H489 L493	L440-L451 HydrophobicContact CB-CB 4.13Å; L440-L451 HydrophobicContact CD1-CB 4.45Å; L440-L451 HydrophobicContact CD2-CB 4.45Å; L440-L451 HydrophobicContact CD2-CD2 4.23Å; L440-L451 PolarHBondContact N-O 3.07Å; L451-L453 HydrophobicContact CD2-CD2 3.69Å; L451-L453 HydrophobicContact CG-CD2 3.91Å; L451-I486 HydrophobicContact CD2-CB 4.18Å; L451-I486 HydrophobicContact CD2-CG2 3.91Å; L451-H489 HydrophobicContact CD1-CB 4Å; L451-H489 HydrophobicContact CD2-CB 3.89Å; L451-L493 HydrophobicContact CB-CD2 4.14Å; L451-L493 HydrophobicContact CD2-CD1 4.09Å
452	L	93.1	Very high	90.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	125.3	172.7	-60.2	171.1	0	0	0	108.6	Y392 H437 I438 I439 P449 I519 S520 T521 S522	Y392-L452 HydrophobicContact CD1-CD1 4.05Å; Y392-L452 HydrophobicContact CD1-CD2 4.43Å; Y392-L452 HydrophobicContact CD2-CD1 4.03Å; Y392-L452 HydrophobicContact CD2-CD2 4.32Å; Y392-L452 HydrophobicContact CE1-CD1 3.59Å; Y392-L452 HydrophobicContact CE2-CD1 3.62Å; Y392-L452 HydrophobicContact CG-CD1 4.25Å; Y392-L452 HydrophobicContact CG-CD2 4.2Å; H437-L452 HydrophobicContact CB-CB 4.48Å; H437-L452 HydrophobicContact CB-CD2 4.44Å; I438-L452 CarbonylContact O-C 3.39Å; I438-L452 WeakPolarHBondContact O-CA 3.42Å; I439-L452 HydrophobicContact CB-CD2 4.25Å; I439-L452 HydrophobicContact CD1-CD2 4.21Å; I439-L452 HydrophobicContact CG1-CD2 3.72Å; I439-L452 HydrophobicContact CG2-CD2 4.06Å; P449-L452 HydrophobicContact CB-CD2 4.4Å; L452-I519 HydrophobicContact CD1-CB 4.02Å; L452-I519 HydrophobicContact CD1-CD1 4.39Å; L452-I519 HydrophobicContact CD1-CG2 3.82Å; L452-I519 HydrophobicContact CG-CB 4.46Å; L452-I519 HydrophobicContact CG-CG2 3.7Å; L452-S520 PolarHBondContact N-O 3.46Å; L452-T521 HydrophobicContact CB-CG2 4.4Å; L452-T521 CarbonylContact O-C 3.49Å; L452-T521 VanDerWaalsContact O-CA 3.25Å; L452-T521 WeakPolarHBondContact O-CA 3.34Å; L452-S522 PolarHBondContact O-N 2.89Å
453	L	94.4	Very high	91.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	112.1	172.7	-47.7	-179.8	0	0	0	108.1	H437 I438 L440 L451 I472 W484 I486 S522	H437-L453 CarbonylContact C-O 3.39Å; H437-L453 WeakPolarHBondContact CA-O 3.34Å; I438-L453 HydrophobicContact CB-CB 3.99Å; I438-L453 HydrophobicContact CB-CD1 4.05Å; I438-L453 HydrophobicContact CB-CG 4.18Å; I438-L453 HydrophobicContact CD1-CD1 4.09Å; I438-L453 HydrophobicContact CG2-CD1 4.28Å; I438-L453 PolarHBondContact N-O 3.36Å; I438-L453 PolarHBondContact O-N 2.91Å; L440-L453 HydrophobicContact CD1-CD1 3.89Å; L440-L453 HydrophobicContact CD1-CD2 4.32Å; L440-L453 HydrophobicContact CD1-CG 3.84Å; L451-L453 HydrophobicContact CD2-CD2 3.69Å; L451-L453 HydrophobicContact CG-CD2 3.91Å; L453-I472 HydrophobicContact CD1-CD1 3.4Å; L453-I472 VanDerWaalsContact CD1-CD1 3.4Å; L453-W484 HydrophobicContact CB-CD2 4.47Å; L453-W484 HydrophobicContact CB-CG 4.29Å; L453-W484 HydrophobicContact CD1-CD2 4.49Å; L453-W484 HydrophobicContact CD1-CG 4.33Å; L453-I486 HydrophobicContact CD1-CG2 4.44Å; L453-I486 HydrophobicContact CD2-CG2 3.52Å; L453-S522 WeakPolarHBondContact CA-O 3.19Å
454	N	91.8	Very high	91.4	Very high	24 Å²	24	26.4 Å²	26.4	13%	0.128	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	130.6	177.7	177.4	-53.2	0	0	0	109.7	W484 T521 S522 Y523	N454-W484 PolarHBondContact O-NE1 3.38Å; N454-T521 HydrophobicContact CB-CG2 4.14Å; N454-S522 PolarHBondContact N-O 3.21Å; N454-Y523 HydrophobicContact CB-CD1 3.95Å; N454-Y523 HydrophobicContact CB-CE1 4.31Å
455	A	91.8	Very high	91.8	Very high	3 Å²	3	23.7 Å²	23.7	3%	0.025	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	149	177.7	0	0	0	0	0	111.1	T436 D457 I459 W484	T436-A455 PolarHBondContact O-N 3.49Å; T436-A455 WeakPolarHBondContact OG1-CB 3.42Å; T436-A455 PolarHBondContact OG1-O 2.93Å; A455-D457 VanDerWaalsContact C-N 3.35Å; A455-I459 HydrophobicContact CB-CD1 3.28Å; A455-I459 HydrophobicContact CB-CG1 3.76Å; A455-W484 HydrophobicContact CB-CZ2 3.92Å
456	P	88.4	Confident	92.1	Very high	52 Å²	52	24.4 Å²	24.4	34%	0.338	13%	0.132	S	C	.	.	S	Bend	trans	-71.1	-29.6	179.8	31.9	-39.3	0	0	0	113.3	Y524 L527	P456-Y524 HydrophobicContact CB-CE1 4.22Å; P456-L527 HydrophobicContact CB-CD1 4.13Å; P456-L527 HydrophobicContact CB-CD2 4.48Å; P456-L527 HydrophobicContact CG-CD1 4.21Å; P456-L527 HydrophobicContact CG-CD2 3.7Å
457	D	90.4	Very high	92.5	Very high	27 Å²	27	24.8 Å²	24.8	14%	0.144	13%	0.134	C	C	.	.	S	Bend	trans	-149.6	176.2	179.8	-157.8	-14.4	0	0	0	108.6	T436 A455 I459 C476 N478	T436-D457 PolarHBondContact OG1-O 3.23Å; A455-D457 VanDerWaalsContact C-N 3.35Å; D457-I459 PolarHBondContact O-N 3.12Å; D457-C476 HydrophobicContact CB-CB 4.42Å; D457-N478 WeakPolarHBondContact OD2-CB 3.34Å
458	D	91.9	Very high	92.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.108	C	C	.	.			trans	-55.3	134.6	177.3	-83.3	-36.2	0	0	0	111.4	S416 E417 R424 T436 C476 V477	S416-D458 WeakPolarHBondContact CA-OD1 3.33Å; E417-D458 PolarHBondContact N-OD1 3.44Å; R424-D458 IonicContact CZ-OD2 3.57Å; R424-D458 IonicContact NH1-OD2 2.84Å; R424-D458 PolarHBondContact NH1-OD2 3.35Å; R424-D458 IonicContact NH2-OD2 3.49Å; R424-D458 PolarHBondContact NH2-OD2 2.9Å; T436-D458 WeakPolarHBondContact CG2-OD1 3.42Å; D458-C476 CarbonylContact O-C 3.59Å; D458-C476 WeakPolarHBondContact O-CA 3.35Å; D458-V477 HydrophobicContact CB-CB 4.26Å; D458-V477 HydrophobicContact CB-CG2 3.52Å; D458-V477 WeakPolarHBondContact O-CG2 3.49Å; D458-V477 PolarHBondContact O-N 2.75Å
459	I	94	Very high	93.1	Very high	2 Å²	2	18 Å²	18	1%	0.01	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	121.3	179.4	-64.6	164.7	0	0	0	109	T399 I438 A455 D457 C461 F462 W484	T399-I459 PolarHBondContact OG1-O 2.86Å; I438-I459 HydrophobicContact CD1-CD1 3.71Å; I438-I459 HydrophobicContact CG1-CD1 3.4Å; A455-I459 HydrophobicContact CB-CD1 3.28Å; A455-I459 HydrophobicContact CB-CG1 3.76Å; D457-I459 PolarHBondContact O-N 3.12Å; I459-C461 VanDerWaalsContact CG2-O 3.28Å; I459-C461 WeakPolarHBondContact CG2-O 3.47Å; I459-F462 HydrophobicContact CG2-CB 4.16Å; I459-F462 HydrophobicContact CG2-CD1 4.46Å; I459-W484 HydrophobicContact CD1-CH2 3.41Å; I459-W484 VanDerWaalsContact CD1-CH2 3.41Å; I459-W484 HydrophobicContact CD1-CZ2 3.68Å; I459-W484 HydrophobicContact CG1-CH2 4.23Å
460	I	94.4	Very high	93.2	Very high	47 Å²	47	19.1 Å²	19.1	24%	0.241	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-39.7	178.1	-60.5	-55	0	0	0	111	T399 G475 V477 I538	T399-I460 WeakPolarHBondContact CB-O 3.48Å; T399-I460 HydrophobicContact CG2-CD1 4.38Å; I460-G475 PolarHBondContact N-O 3.24Å; I460-V477 HydrophobicContact CD1-CG2 3.45Å; I460-V477 VanDerWaalsContact CD1-CG2 3.45Å; I460-V477 HydrophobicContact CG1-CG2 3.46Å; I460-V477 VanDerWaalsContact CG1-CG2 3.46Å; I460-I538 WeakPolarHBondContact CB-O 3.16Å; I460-I538 WeakPolarHBondContact CG2-O 3.42Å
461	C	95.5	Very high	93.4	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.007	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	151.4	178.7	62.6	0	0	0	0	110.6	M400 I459 G474 G475 I538	M400-C461 HydrophobicContact CE-CB 4.11Å; I459-C461 VanDerWaalsContact CG2-O 3.28Å; I459-C461 WeakPolarHBondContact CG2-O 3.47Å; C461-G474 CarbonylContact O-C 3.55Å; C461-G474 WeakPolarHBondContact O-CA 3.32Å; C461-G475 PolarHBondContact O-N 2.9Å; C461-I538 PolarHBondContact SG-O 2.67Å; C461-I538 VanDerWaalsContact SG-O 3.41Å
462	F	97.5	Very high	93.6	Very high	3 Å²	3	20.5 Å²	20.5	1%	0.013	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	160	172.4	75.8	-77.7	0	0	0	110.2	M400 Q402 A412 S414 I438 I459 F464 I472 A473	M400-F462 HydrophobicContact CB-CD1 4.01Å; M400-F462 HydrophobicContact CB-CE1 3.96Å; M400-F462 HydrophobicContact CG-CD1 4.22Å; M400-F462 HydrophobicContact CG-CE1 4.18Å; Q402-F462 HydrophobicContact CB-CE2 3.74Å; Q402-F462 HydrophobicContact CB-CZ 3.81Å; Q402-F462 HydrophobicContact CG-CD2 4.43Å; Q402-F462 HydrophobicContact CG-CE1 4.48Å; Q402-F462 HydrophobicContact CG-CE2 4.01Å; Q402-F462 HydrophobicContact CG-CZ 4.03Å; Q402-F462 WeakPolarHBondContact CG-O 3.26Å; A412-F462 HydrophobicContact CB-CE2 3.54Å; A412-F462 HydrophobicContact CB-CZ 3.56Å; S414-F462 WeakPolarHBondContact OG-CD1 3.33Å; S414-F462 WeakPolarHBondContact OG-CE1 3.47Å; I438-F462 HydrophobicContact CD1-CB 4.07Å; I438-F462 HydrophobicContact CD1-CD1 4.3Å; I438-F462 HydrophobicContact CD1-CD2 3.9Å; I438-F462 HydrophobicContact CD1-CE2 4.45Å; I438-F462 HydrophobicContact CD1-CG 3.81Å; I438-F462 HydrophobicContact CG2-CE1 4.39Å; I438-F462 HydrophobicContact CG2-CE2 4.09Å; I438-F462 HydrophobicContact CG2-CZ 4.01Å; I459-F462 HydrophobicContact CG2-CB 4.16Å; I459-F462 HydrophobicContact CG2-CD1 4.46Å; F462-F464 HydrophobicContact CE2-CE2 4.21Å; F462-I472 HydrophobicContact CD2-CG2 3.89Å; F462-A473 CarbonylContact C-O 3.44Å; F462-A473 WeakPolarHBondContact CA-O 2.99Å; F462-A473 VanDerWaalsContact CB-O 3.3Å; F462-A473 WeakPolarHBondContact CB-O 3.41Å
463	Q	96.9	Very high	93.8	Very high	42 Å²	42	20.5 Å²	20.5	20%	0.196	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	136.2	177.6	-158.3	-174	3.4	0	0	111.2	A473 L541 K542 W543	Q463-A473 PolarHBondContact N-O 3.47Å; Q463-A473 PolarHBondContact O-N 2.7Å; Q463-L541 HydrophobicContact CB-CD2 3.75Å; Q463-L541 PolarHBondContact OE1-O 2.7Å; Q463-K542 VanDerWaalsContact OE1-CA 3.25Å; Q463-W543 PolarHBondContact O-NE1 3.48Å
464	F	96.7	Very high	93.9	Very high	7 Å²	7	20.5 Å²	20.5	3%	0.031	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	141.9	165.7	-72.4	-90.4	0	0	0	110	Q402 H404 P405 A412 L440 F462 P466 I472 I486 W543	Q402-F464 HydrophobicContact CB-CD2 3.98Å; Q402-F464 HydrophobicContact CB-CE2 4.15Å; H404-F464 AromaticContact CD2-CE1 3.78Å; P405-F464 HydrophobicContact CG-CB 4.1Å; A412-F464 HydrophobicContact CB-CE2 3.58Å; A412-F464 HydrophobicContact CB-CZ 3.78Å; L440-F464 HydrophobicContact CD2-CZ 4.45Å; F462-F464 HydrophobicContact CE2-CE2 4.21Å; F464-P466 VanDerWaalsContact O-CD 3.3Å; F464-P466 WeakPolarHBondContact O-CD 3.47Å; F464-I472 HydrophobicContact CD1-CD1 3.87Å; F464-I472 HydrophobicContact CD1-CG1 3.52Å; F464-I472 HydrophobicContact CE1-CD1 3.39Å; F464-I472 HydrophobicContact CE1-CG1 3.64Å; F464-I472 HydrophobicContact CG-CG1 4.24Å; F464-I472 HydrophobicContact CZ-CD1 3.95Å; F464-I472 HydrophobicContact CZ-CG1 4.43Å; F464-I486 HydrophobicContact CE1-CD1 4.29Å; F464-W543 PolarHBondContact O-NE1 3.01Å
465	N	95.8	Very high	94.1	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	11%	0.107	C	C	.	.			trans	-66.8	121.8	169.1	179.5	-44.5	0	0	0	108.9	T467 N468 Y471 W543 C564	N465-T467 VanDerWaalsContact C-N 3.28Å; N465-T467 PolarHBondContact O-N 3.44Å; N465-T467 PolarHBondContact OD1-N 3.44Å; N465-T467 PolarHBondContact OD1-OG1 2.93Å; N465-N468 WeakPolarHBondContact CB-O 3.19Å; N465-N468 CarbonylContact O-C 3.58Å; N465-N468 PolarHBondContact OD1-N 2.94Å; N465-Y471 WeakPolarHBondContact CB-O 3.15Å; N465-Y471 PolarHBondContact N-O 2.84Å; N465-W543 HydrophobicContact CB-CD2 4.19Å; N465-W543 HydrophobicContact CB-CH2 4.17Å; N465-W543 HydrophobicContact CB-CZ2 3.74Å; N465-W543 VanDerWaalsContact ND2-CZ3 3.35Å; N465-W543 WeakPolarHBondContact ND2-CZ3 3.34Å; N465-C564 PolarHBondContact ND2-O 2.84Å; N465-C564 WeakPolarHBondContact OD1-CB 3.49Å
466	P	92.9	Very high	94.3	Very high	40 Å²	40	19.2 Å²	19.2	26%	0.26	11%	0.106	S	C	.	.	S	Bend	trans	-63.9	-30.3	-174.7	-24.3	34	0	0	0	114.4	F464 W543 Q642	F464-P466 VanDerWaalsContact O-CD 3.3Å; F464-P466 WeakPolarHBondContact O-CD 3.47Å; P466-W543 HydrophobicContact CG-CB 4.3Å; P466-Q642 HydrophobicContact CB-CG 3.81Å; P466-Q642 HydrophobicContact CG-CG 4.41Å
467	T	92.1	Very high	94.4	Very high	46 Å²	46	18 Å²	18	28%	0.282	10%	0.097	S	C	.	.	S	Bend	trans	-90.7	-38.7	-179	54.4	0	0	0	0	113.5	N465 D546 C564	N465-T467 VanDerWaalsContact C-N 3.28Å; N465-T467 PolarHBondContact O-N 3.44Å; N465-T467 PolarHBondContact OD1-N 3.44Å; N465-T467 PolarHBondContact OD1-OG1 2.93Å; T467-D546 HydrophobicContact CG2-CB 3.39Å; T467-C564 HydrophobicContact CG2-CB 4.43Å; T467-C564 PolarHBondContact OG1-N 3.1Å
468	N	93.2	Very high	94.4	Very high	48 Å²	48	19.1 Å²	19.1	26%	0.257	10%	0.103	S	C	.	.			trans	-118.3	94	176	-172.9	-6.7	0	0	0	109.8	N465 N470 Y471	N465-N468 WeakPolarHBondContact CB-O 3.19Å; N465-N468 CarbonylContact O-C 3.58Å; N465-N468 PolarHBondContact OD1-N 2.94Å; N468-N470 PolarHBondContact O-N 2.83Å; N468-N470 WeakPolarHBondContact OD1-CB 3.33Å; N468-N470 PolarHBondContact OD1-N 3.05Å; N468-Y471 HydrophobicContact CB-CD2 3.99Å; N468-Y471 HydrophobicContact CB-CE2 4.32Å; N468-Y471 HydrophobicContact CB-CG 4.46Å; N468-Y471 WeakPolarHBondContact ND2-CD2 3.46Å; N468-Y471 WeakPolarHBondContact ND2-CE2 3.25Å; N468-Y471 PolarHBondContact O-N 3.11Å
469	S	90.8	Very high	94.5	Very high	17 Å²	17	19.1 Å²	19.1	12%	0.119	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-13.7	-176.1	62.1	0	0	0	0	115.2	H404 N406 Y471	H404-S469 VanDerWaalsContact CE1-CB 3.45Å; H404-S469 WeakPolarHBondContact CE1-CB 3.4Å; N406-S469 WeakPolarHBondContact OD1-CB 3.39Å; S469-Y471 VanDerWaalsContact C-N 3.28Å
470	N	92.1	Very high	94.6	Very high	25 Å²	25	19.7 Å²	19.7	13%	0.134	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-19.7	177.8	-59.3	-15.8	0	0	0	112.3	N468 D485 I486 E487	N468-N470 PolarHBondContact O-N 2.83Å; N468-N470 WeakPolarHBondContact OD1-CB 3.33Å; N468-N470 PolarHBondContact OD1-N 3.05Å; N470-D485 WeakPolarHBondContact O-CA 3.35Å; N470-I486 WeakPolarHBondContact O-CG1 3.48Å; N470-I486 PolarHBondContact O-N 3.16Å; N470-E487 HydrophobicContact CB-CB 4.26Å
471	Y	95.2	Very high	94.7	Very high	46 Å²	46	17.5 Å²	17.5	18%	0.18	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	131.6	-177.9	-57.6	-19.2	0	0	0	110.5	N465 N468 S469 W484 D485 I581 T606 F607	N465-Y471 WeakPolarHBondContact CB-O 3.15Å; N465-Y471 PolarHBondContact N-O 2.84Å; N468-Y471 HydrophobicContact CB-CD2 3.99Å; N468-Y471 HydrophobicContact CB-CE2 4.32Å; N468-Y471 HydrophobicContact CB-CG 4.46Å; N468-Y471 WeakPolarHBondContact ND2-CD2 3.46Å; N468-Y471 WeakPolarHBondContact ND2-CE2 3.25Å; N468-Y471 PolarHBondContact O-N 3.11Å; S469-Y471 VanDerWaalsContact C-N 3.28Å; Y471-W484 WeakPolarHBondContact CA-O 3.13Å; Y471-D485 HydrophobicContact CD1-CB 4.42Å; Y471-I581 HydrophobicContact CD2-CD1 4.39Å; Y471-T606 HydrophobicContact CE1-CG2 3.91Å; Y471-T606 WeakPolarHBondContact OH-CG2 3.11Å; Y471-F607 AromaticContact CD1-CE2 3.86Å; Y471-F607 HydrophobicContact CD1-CE2 3.86Å; Y471-F607 AromaticContact CD1-CZ 3.87Å; Y471-F607 HydrophobicContact CD1-CZ 3.87Å; Y471-F607 HydrophobicContact CD2-CE2 4.47Å; Y471-F607 AromaticContact CD2-CZ 3.7Å; Y471-F607 HydrophobicContact CD2-CZ 3.7Å; Y471-F607 HydrophobicContact CE1-CE2 4.04Å; Y471-F607 AromaticContact CE1-CZ 3.91Å; Y471-F607 HydrophobicContact CE1-CZ 3.91Å; Y471-F607 HydrophobicContact CE2-CE1 4.42Å; Y471-F607 AromaticContact CE2-CZ 3.68Å; Y471-F607 HydrophobicContact CE2-CZ 3.68Å; Y471-F607 HydrophobicContact CG-CE2 4.11Å; Y471-F607 AromaticContact CG-CZ 3.78Å; Y471-F607 HydrophobicContact CG-CZ 3.78Å; Y471-F607 AromaticContact CZ-CZ 3.8Å
472	I	97	Very high	94.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	132.2	177.3	-57	168.1	0	0	0	107.1	L453 F462 F464 L483 W484 I486	L453-I472 HydrophobicContact CD1-CD1 3.4Å; L453-I472 VanDerWaalsContact CD1-CD1 3.4Å; F462-I472 HydrophobicContact CD2-CG2 3.89Å; F464-I472 HydrophobicContact CD1-CD1 3.87Å; F464-I472 HydrophobicContact CD1-CG1 3.52Å; F464-I472 HydrophobicContact CE1-CD1 3.39Å; F464-I472 HydrophobicContact CE1-CG1 3.64Å; F464-I472 HydrophobicContact CG-CG1 4.24Å; F464-I472 HydrophobicContact CZ-CD1 3.95Å; F464-I472 HydrophobicContact CZ-CG1 4.43Å; I472-L483 CarbonylContact O-C 3.53Å; I472-L483 WeakPolarHBondContact O-CA 3.36Å; I472-W484 HydrophobicContact CB-CB 4.32Å; I472-W484 HydrophobicContact CB-CE3 4.09Å; I472-W484 HydrophobicContact CG2-CE3 3.89Å; I472-W484 HydrophobicContact CG2-CZ3 4.28Å; I472-W484 PolarHBondContact N-O 3.36Å; I472-W484 VanDerWaalsContact N-O 3.08Å; I472-W484 PolarHBondContact O-N 3.47Å; I472-I486 HydrophobicContact CD1-CD1 4.18Å; I472-I486 HydrophobicContact CD1-CG1 4.48Å; I472-I486 HydrophobicContact CD1-CG2 4.01Å
473	A	97.4	Very high	94.6	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	141.4	171.1	0	0	0	0	0	109.7	F462 Q463 V482 L483 L541 W543 L567	F462-A473 CarbonylContact C-O 3.44Å; F462-A473 WeakPolarHBondContact CA-O 2.99Å; F462-A473 VanDerWaalsContact CB-O 3.3Å; F462-A473 WeakPolarHBondContact CB-O 3.41Å; Q463-A473 PolarHBondContact N-O 3.47Å; Q463-A473 PolarHBondContact O-N 2.7Å; A473-V482 CarbonylContact C-O 3.59Å; A473-V482 WeakPolarHBondContact CA-O 3.23Å; A473-L483 HydrophobicContact CB-CD2 3.77Å; A473-L541 HydrophobicContact CB-CD1 3.88Å; A473-L541 HydrophobicContact CB-CD2 4.05Å; A473-W543 HydrophobicContact CB-CH2 4.38Å; A473-W543 HydrophobicContact CB-CZ2 3.55Å; A473-L567 HydrophobicContact CB-CD2 3.65Å
474	G	96.7	Very high	94.5	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	151.3	178	0	0	0	0	0	111.7	C461 V481 V482	C461-G474 CarbonylContact O-C 3.55Å; C461-G474 WeakPolarHBondContact O-CA 3.32Å; G474-V481 WeakPolarHBondContact O-CA 3.27Å; G474-V482 PolarHBondContact N-O 3.03Å; G474-V482 VanDerWaalsContact O-CG1 3.26Å; G474-V482 WeakPolarHBondContact O-CG1 3.39Å; G474-V482 PolarHBondContact O-N 2.78Å
475	G	96.5	Very high	94.4	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	124	173.3	0	0	0	0	0	111.1	I460 C461	I460-G475 PolarHBondContact N-O 3.24Å; C461-G475 PolarHBondContact O-N 2.9Å
476	C	94.1	Very high	94.3	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	159.1	-178.9	-64	0	0	0	0	112.1	D457 D458 N478 G479 Q480 I538	D457-C476 HydrophobicContact CB-CB 4.42Å; D458-C476 CarbonylContact O-C 3.59Å; D458-C476 WeakPolarHBondContact O-CA 3.35Å; C476-N478 WeakPolarHBondContact CB-OD1 3.31Å; C476-N478 PolarHBondContact O-N 3.49Å; C476-G479 PolarHBondContact O-N 3.42Å; C476-G479 VanDerWaalsContact O-N 3.14Å; C476-Q480 WeakPolarHBondContact CB-O 3.25Å; C476-Q480 PolarHBondContact N-O 3.29Å; C476-I538 PolarHBondContact O-N 2.82Å
477	V	91.9	Very high	94.1	Very high	27 Å²	27	18.7 Å²	18.7	16%	0.164	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-32.4	172.7	171.5	0	0	0	0	112.3	D458 I460 G479 P537	D458-V477 HydrophobicContact CB-CB 4.26Å; D458-V477 HydrophobicContact CB-CG2 3.52Å; D458-V477 WeakPolarHBondContact O-CG2 3.49Å; D458-V477 PolarHBondContact O-N 2.75Å; I460-V477 HydrophobicContact CD1-CG2 3.45Å; I460-V477 VanDerWaalsContact CD1-CG2 3.45Å; I460-V477 HydrophobicContact CG1-CG2 3.46Å; I460-V477 VanDerWaalsContact CG1-CG2 3.46Å; V477-G479 PolarHBondContact O-N 2.97Å; V477-P537 HydrophobicContact CG1-CG 4.1Å; V477-P537 WeakPolarHBondContact O-CA 2.9Å; V477-P537 VanDerWaalsContact O-CG 3.24Å; V477-P537 WeakPolarHBondContact O-CG 3.37Å
478	N	90.7	Very high	93.9	Very high	49 Å²	49	22.7 Å²	22.7	26%	0.262	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	4.7	176.7	71.2	1.3	0	0	0	114.5	D457 C476 Q480	D457-N478 WeakPolarHBondContact OD2-CB 3.34Å; C476-N478 WeakPolarHBondContact CB-OD1 3.31Å; C476-N478 PolarHBondContact O-N 3.49Å; N478-Q480 PolarHBondContact ND2-OE1 3.18Å; N478-Q480 WeakPolarHBondContact OD1-CB 3.49Å; N478-Q480 PolarHBondContact OD1-N 3.02Å
479	G	93.9	Very high	93.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	85	0.9	178	0	0	0	0	0	115.5	C476 V477 S533 H534 L536 I538	C476-G479 PolarHBondContact O-N 3.42Å; C476-G479 VanDerWaalsContact O-N 3.14Å; V477-G479 PolarHBondContact O-N 2.97Å; G479-S533 VanDerWaalsContact O-CB 3.23Å; G479-S533 WeakPolarHBondContact O-CB 3.25Å; G479-H534 WeakPolarHBondContact CA-O 3.41Å; G479-H534 PolarHBondContact O-N 2.83Å; G479-H534 VanDerWaalsContact O-N 3.13Å; G479-L536 WeakPolarHBondContact CA-O 3.41Å; G479-I538 WeakPolarHBondContact O-CD1 3.36Å
480	Q	95.3	Very high	93.5	Very high	15 Å²	15	22.6 Å²	22.6	7%	0.07	11%	0.107	C	C	.	.			trans	-84.2	151	174.9	-63.6	-177.4	-74.5	0	0	112.8	C476 N478 S528 I530 I538	C476-Q480 WeakPolarHBondContact CB-O 3.25Å; C476-Q480 PolarHBondContact N-O 3.29Å; N478-Q480 PolarHBondContact ND2-OE1 3.18Å; N478-Q480 WeakPolarHBondContact OD1-CB 3.49Å; N478-Q480 PolarHBondContact OD1-N 3.02Å; Q480-S528 WeakPolarHBondContact CA-OG 3.38Å; Q480-S528 WeakPolarHBondContact CB-OG 3.42Å; Q480-S528 PolarHBondContact NE2-O 3.47Å; Q480-I530 HydrophobicContact CG-CB 4.24Å; Q480-I530 HydrophobicContact CG-CG1 4.07Å; Q480-I538 WeakPolarHBondContact O-CD1 3.23Å
481	V	96	Very high	93.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	135.1	169.5	-169.1	0	0	0	0	108.8	G474 S528 I538 L541 L567 T569 W579 W614	G474-V481 WeakPolarHBondContact O-CA 3.27Å; V481-S528 PolarHBondContact N-OG 3.04Å; V481-S528 PolarHBondContact O-N 2.89Å; V481-S528 PolarHBondContact O-OG 3.08Å; V481-I538 HydrophobicContact CG2-CD1 3.55Å; V481-L541 HydrophobicContact CG1-CD1 4.32Å; V481-L567 HydrophobicContact CG1-CD1 4.37Å; V481-T569 HydrophobicContact CG2-CG2 3.88Å; V481-W579 HydrophobicContact CG2-CD2 4.18Å; V481-W579 HydrophobicContact CG2-CH2 4.24Å; V481-W579 HydrophobicContact CG2-CZ2 3.68Å; V481-W614 HydrophobicContact CB-CE3 4.41Å; V481-W614 HydrophobicContact CB-CH2 4.33Å; V481-W614 HydrophobicContact CB-CZ3 3.79Å; V481-W614 HydrophobicContact CG1-CH2 3.73Å; V481-W614 HydrophobicContact CG1-CZ3 3.55Å
482	V	95.2	Very high	92.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	140.4	-178.3	49.3	0	0	0	0	110.3	A473 G474 W484 Y524 L527	A473-V482 CarbonylContact C-O 3.59Å; A473-V482 WeakPolarHBondContact CA-O 3.23Å; G474-V482 PolarHBondContact N-O 3.03Å; G474-V482 VanDerWaalsContact O-CG1 3.26Å; G474-V482 WeakPolarHBondContact O-CG1 3.39Å; G474-V482 PolarHBondContact O-N 2.78Å; V482-W484 HydrophobicContact CB-CH2 3.99Å; V482-W484 HydrophobicContact CB-CZ2 4.24Å; V482-W484 HydrophobicContact CB-CZ3 4.35Å; V482-W484 HydrophobicContact CG1-CH2 3.09Å; V482-W484 HydrophobicContact CG1-CZ2 3.71Å; V482-W484 HydrophobicContact CG1-CZ3 3.59Å; V482-W484 HydrophobicContact CG2-CD2 4.17Å; V482-W484 HydrophobicContact CG2-CE3 4.31Å; V482-W484 HydrophobicContact CG2-CH2 3.69Å; V482-W484 HydrophobicContact CG2-CZ2 3.47Å; V482-W484 VanDerWaalsContact CG2-CZ2 3.47Å; V482-W484 HydrophobicContact CG2-CZ3 4.11Å; V482-Y524 HydrophobicContact CG2-CG 4.1Å; V482-L527 HydrophobicContact CB-CD2 3.56Å; V482-L527 HydrophobicContact CG2-CD2 3.58Å
483	L	96.2	Very high	92.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	132.6	176.6	-70.5	172.6	0	0	0	110.9	I472 A473 S525 A526 W543 I581 F607 L610 W614	I472-L483 CarbonylContact O-C 3.53Å; I472-L483 WeakPolarHBondContact O-CA 3.36Å; A473-L483 HydrophobicContact CB-CD2 3.77Å; L483-S525 PolarHBondContact O-N 3.35Å; L483-A526 PolarHBondContact N-O 2.88Å; L483-A526 PolarHBondContact O-N 2.91Å; L483-W543 HydrophobicContact CD2-CH2 4.37Å; L483-I581 HydrophobicContact CD1-CG2 4.14Å; L483-I581 HydrophobicContact CD2-CG2 4.46Å; L483-F607 HydrophobicContact CB-CD2 4.1Å; L483-F607 HydrophobicContact CB-CE2 4.47Å; L483-F607 HydrophobicContact CD1-CB 4.47Å; L483-F607 HydrophobicContact CD1-CD1 4.13Å; L483-F607 HydrophobicContact CD1-CD2 4.27Å; L483-F607 HydrophobicContact CD1-CE1 4.45Å; L483-F607 HydrophobicContact CD1-CG 4.03Å; L483-L610 HydrophobicContact CD1-CD1 4.14Å; L483-W614 HydrophobicContact CD1-CE3 4.26Å; L483-W614 HydrophobicContact CD1-CH2 3.65Å; L483-W614 HydrophobicContact CD1-CZ2 4.26Å; L483-W614 HydrophobicContact CD1-CZ3 3.66Å; L483-W614 HydrophobicContact CD2-CH2 4.03Å; L483-W614 HydrophobicContact CD2-CZ3 4.36Å; L483-W614 HydrophobicContact CG-CH2 3.79Å; L483-W614 HydrophobicContact CG-CZ3 3.66Å
484	W	95.8	Very high	91.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	149.7	168.9	-60.5	-94.1	0	0	0	111.1	I438 L453 N454 A455 I459 Y471 I472 V482 Y524	I438-W484 HydrophobicContact CD1-CE3 4.34Å; I438-W484 HydrophobicContact CD1-CH2 3.8Å; I438-W484 HydrophobicContact CD1-CZ2 4.29Å; I438-W484 HydrophobicContact CD1-CZ3 3.82Å; L453-W484 HydrophobicContact CB-CD2 4.47Å; L453-W484 HydrophobicContact CB-CG 4.29Å; L453-W484 HydrophobicContact CD1-CD2 4.49Å; L453-W484 HydrophobicContact CD1-CG 4.33Å; N454-W484 PolarHBondContact O-NE1 3.38Å; A455-W484 HydrophobicContact CB-CZ2 3.92Å; I459-W484 HydrophobicContact CD1-CH2 3.41Å; I459-W484 VanDerWaalsContact CD1-CH2 3.41Å; I459-W484 HydrophobicContact CD1-CZ2 3.68Å; I459-W484 HydrophobicContact CG1-CH2 4.23Å; Y471-W484 WeakPolarHBondContact CA-O 3.13Å; I472-W484 HydrophobicContact CB-CB 4.32Å; I472-W484 HydrophobicContact CB-CE3 4.09Å; I472-W484 HydrophobicContact CG2-CE3 3.89Å; I472-W484 HydrophobicContact CG2-CZ3 4.28Å; I472-W484 PolarHBondContact N-O 3.36Å; I472-W484 VanDerWaalsContact N-O 3.08Å; I472-W484 PolarHBondContact O-N 3.47Å; V482-W484 HydrophobicContact CB-CH2 3.99Å; V482-W484 HydrophobicContact CB-CZ2 4.24Å; V482-W484 HydrophobicContact CB-CZ3 4.35Å; V482-W484 HydrophobicContact CG1-CH2 3.09Å; V482-W484 HydrophobicContact CG1-CZ2 3.71Å; V482-W484 HydrophobicContact CG1-CZ3 3.59Å; V482-W484 HydrophobicContact CG2-CD2 4.17Å; V482-W484 HydrophobicContact CG2-CE3 4.31Å; V482-W484 HydrophobicContact CG2-CH2 3.69Å; V482-W484 HydrophobicContact CG2-CZ2 3.47Å; V482-W484 VanDerWaalsContact CG2-CZ2 3.47Å; V482-W484 HydrophobicContact CG2-CZ3 4.11Å; W484-Y524 VanDerWaalsContact CD1-CA 3.41Å
485	D	94.1	Very high	91.2	Very high	8 Å²	8	34.7 Å²	34.7	4%	0.043	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	117.3	167.4	179.4	2.5	0	0	0	108.8	N470 Y471 E487 S522 P604 T606	N470-D485 WeakPolarHBondContact O-CA 3.35Å; Y471-D485 HydrophobicContact CD1-CB 4.42Å; D485-E487 VanDerWaalsContact OD1-CB 3.28Å; D485-E487 WeakPolarHBondContact OD1-CB 3.45Å; D485-E487 PolarHBondContact OD1-N 3.37Å; D485-S522 PolarHBondContact O-OG 3.13Å; D485-P604 HydrophobicContact CB-CB 3.83Å; D485-P604 HydrophobicContact CB-CG 4.17Å; D485-P604 WeakPolarHBondContact O-CG 3.33Å; D485-T606 VanDerWaalsContact OD2-CB 3.31Å; D485-T606 WeakPolarHBondContact OD2-CB 3.27Å; D485-T606 PolarHBondContact OD2-OG1 2.71Å
486	I	92.6	Very high	90.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.178	C	C	.	.			trans	-104.7	12.2	-177.2	63.9	161.8	0	0	0	113.1	L451 L453 F464 N470 I472 K488 H489 I490 L493	L451-I486 HydrophobicContact CD2-CB 4.18Å; L451-I486 HydrophobicContact CD2-CG2 3.91Å; L453-I486 HydrophobicContact CD1-CG2 4.44Å; L453-I486 HydrophobicContact CD2-CG2 3.52Å; F464-I486 HydrophobicContact CE1-CD1 4.29Å; N470-I486 WeakPolarHBondContact O-CG1 3.48Å; N470-I486 PolarHBondContact O-N 3.16Å; I472-I486 HydrophobicContact CD1-CD1 4.18Å; I472-I486 HydrophobicContact CD1-CG1 4.48Å; I472-I486 HydrophobicContact CD1-CG2 4.01Å; I486-K488 PolarHBondContact O-N 3.31Å; I486-K488 VanDerWaalsContact O-N 3.15Å; I486-H489 PolarHBondContact O-N 2.93Å; I486-I490 PolarHBondContact O-N 2.62Å; I486-L493 HydrophobicContact CD1-CD1 4.09Å
487	E	90.5	Very high	89.9	Confident	111 Å²	111	41 Å²	41	52%	0.519	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-52.4	-40.3	-177.9	-176.3	173	-173.2	0	0	112.3	N470 D485 H489 I490	N470-E487 HydrophobicContact CB-CB 4.26Å; D485-E487 VanDerWaalsContact OD1-CB 3.28Å; D485-E487 WeakPolarHBondContact OD1-CB 3.45Å; D485-E487 PolarHBondContact OD1-N 3.37Å; E487-H489 PolarHBondContact O-N 3.29Å; E487-H489 VanDerWaalsContact O-N 3.1Å; E487-I490 VanDerWaalsContact O-CG2 3.25Å; E487-I490 WeakPolarHBondContact O-CG2 3.32Å; E487-I490 PolarHBondContact O-N 3.49Å
488	K	87.5	Confident	89.3	Confident	131 Å²	131	42.1 Å²	42.1	57%	0.57	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-62.2	-19	178	-64.6	-179.8	-176.6	173	0	114.5	I486	I486-K488 PolarHBondContact O-N 3.31Å; I486-K488 VanDerWaalsContact O-N 3.15Å
489	H	87.5	Confident	88.7	Confident	30 Å²	30	42.7 Å²	42.7	14%	0.139	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-113	1.5	-175.5	-61	-61.3	0	0	0	112.9	L451 I486 E487 D491 D492 L493 S520	L451-H489 HydrophobicContact CD1-CB 4Å; L451-H489 HydrophobicContact CD2-CB 3.89Å; I486-H489 PolarHBondContact O-N 2.93Å; E487-H489 PolarHBondContact O-N 3.29Å; E487-H489 VanDerWaalsContact O-N 3.1Å; H489-D491 VanDerWaalsContact C-N 3.33Å; H489-D491 PolarHBondContact O-N 3.37Å; H489-D492 WeakPolarHBondContact O-CB 3.29Å; H489-D492 PolarHBondContact O-N 3.25Å; H489-L493 WeakPolarHBondContact O-CG 3.48Å; H489-L493 PolarHBondContact O-N 2.93Å; H489-L493 VanDerWaalsContact O-N 3.1Å; H489-S520 PolarHBondContact CE1-OG 3.33Å; H489-S520 PolarHBondContact ND1-OG 3.13Å; H489-S520 VanDerWaalsContact ND1-OG 3.11Å
490	I	88.4	Confident	87.9	Confident	32 Å²	32	45.7 Å²	45.7	16%	0.164	23%	0.228	C	C	.	.	H	α-helix	trans	-64.7	-37.8	-175.9	-158	71.6	0	0	0	112	I407 I486 E487 D492 L493 T494	I407-I490 HydrophobicContact CD1-CD1 3.66Å; I407-I490 HydrophobicContact CD1-CG1 4.27Å; I486-I490 PolarHBondContact O-N 2.62Å; E487-I490 VanDerWaalsContact O-CG2 3.25Å; E487-I490 WeakPolarHBondContact O-CG2 3.32Å; E487-I490 PolarHBondContact O-N 3.49Å; I490-D492 VanDerWaalsContact C-N 3.31Å; I490-D492 PolarHBondContact O-N 3.4Å; I490-L493 PolarHBondContact O-N 3.08Å; I490-T494 WeakPolarHBondContact O-CG2 3.39Å; I490-T494 PolarHBondContact O-N 2.7Å; I490-T494 PolarHBondContact O-OG1 3.48Å; I490-T494 VanDerWaalsContact O-OG1 3.07Å
491	D	86.2	Confident	87	Confident	116 Å²	116	52 Å²	52	62%	0.62	26%	0.255	S	S	*	.	H	α-helix	trans	-65.4	-36.4	178	-71.9	-26	0	0	0	111.7	H489 T494 N495	H489-D491 VanDerWaalsContact C-N 3.33Å; H489-D491 PolarHBondContact O-N 3.37Å; D491-T494 WeakPolarHBondContact CA-OG1 3.27Å; D491-T494 PolarHBondContact O-OG1 3.14Å; D491-N495 VanDerWaalsContact O-CB 3.26Å; D491-N495 WeakPolarHBondContact O-CB 3.48Å; D491-N495 PolarHBondContact O-N 3.27Å; D491-N495 PolarHBondContact O-ND2 2.84Å; D491-N495 VanDerWaalsContact O-ND2 3.15Å
492	D	85.6	Confident	85.7	Confident	60 Å²	60	57.7 Å²	57.7	32%	0.321	28%	0.282	S	S	.	.	H	α-helix	trans	-68	-41.8	176	-76	-30.1	0	0	0	111.8	H489 I490 V496 R499	H489-D492 WeakPolarHBondContact O-CB 3.29Å; H489-D492 PolarHBondContact O-N 3.25Å; I490-D492 VanDerWaalsContact C-N 3.31Å; I490-D492 PolarHBondContact O-N 3.4Å; D492-V496 WeakPolarHBondContact O-CG2 3.26Å; D492-V496 PolarHBondContact O-N 2.89Å; D492-R499 VanDerWaalsContact O-CZ 3.24Å; D492-R499 PolarHBondContact O-NE 3.23Å; D492-R499 VanDerWaalsContact O-NE 3.08Å; D492-R499 PolarHBondContact O-NH2 2.87Å; D492-R499 WeakPolarHBondContact OD1-CD 3.47Å; D492-R499 IonicContact OD1-NE 3.74Å; D492-R499 IonicContact OD1-NH1 3.91Å
493	L	86	Confident	84.2	Confident	3 Å²	3	61.7 Å²	61.7	2%	0.016	30%	0.303	C	S	.	.	H	α-helix	trans	-70.5	-32.5	180	-69.4	172.7	0	0	0	112.6	I407 I410 L440 Q450 L451 I486 H489 I490 V496	I407-L493 HydrophobicContact CD1-CB 4.22Å; I410-L493 HydrophobicContact CD1-CD2 4.48Å; L440-L493 HydrophobicContact CB-CD2 4.48Å; L440-L493 HydrophobicContact CD2-CD1 3.8Å; L440-L493 HydrophobicContact CD2-CD2 4.15Å; Q450-L493 HydrophobicContact CB-CD2 3.86Å; L451-L493 HydrophobicContact CB-CD2 4.14Å; L451-L493 HydrophobicContact CD2-CD1 4.09Å; I486-L493 HydrophobicContact CD1-CD1 4.09Å; H489-L493 WeakPolarHBondContact O-CG 3.48Å; H489-L493 PolarHBondContact O-N 2.93Å; H489-L493 VanDerWaalsContact O-N 3.1Å; I490-L493 PolarHBondContact O-N 3.08Å; L493-V496 WeakPolarHBondContact O-CG2 3.04Å
494	T	86.7	Confident	82.7	Confident	63 Å²	63	68 Å²	68	39%	0.387	34%	0.337	S	S	.	.	H	α-helix	trans	-76.8	-39.1	175.4	53	0	0	0	0	112	I407 I490 D491	I407-T494 HydrophobicContact CD1-CG2 3.5Å; I407-T494 VanDerWaalsContact CD1-CG2 3.5Å; I407-T494 HydrophobicContact CG1-CG2 3.91Å; I407-T494 HydrophobicContact CG2-CG2 4.49Å; I490-T494 WeakPolarHBondContact O-CG2 3.39Å; I490-T494 PolarHBondContact O-N 2.7Å; I490-T494 PolarHBondContact O-OG1 3.48Å; I490-T494 VanDerWaalsContact O-OG1 3.07Å; D491-T494 WeakPolarHBondContact CA-OG1 3.27Å; D491-T494 PolarHBondContact O-OG1 3.14Å
495	N	85.1	Confident	80.9	Confident	83 Å²	83	75.7 Å²	75.7	44%	0.444	37%	0.373	S	S	.	.			trans	-100.8	29.9	-171.8	-65.7	-50.3	0	0	0	114.3	D491 K497 S498 R499	D491-N495 VanDerWaalsContact O-CB 3.26Å; D491-N495 WeakPolarHBondContact O-CB 3.48Å; D491-N495 PolarHBondContact O-N 3.27Å; D491-N495 PolarHBondContact O-ND2 2.84Å; D491-N495 VanDerWaalsContact O-ND2 3.15Å; N495-K497 VanDerWaalsContact C-N 3.3Å; N495-K497 PolarHBondContact O-N 3.19Å; N495-S498 WeakPolarHBondContact CB-OG 3.32Å; N495-S498 PolarHBondContact O-N 2.97Å; N495-S498 PolarHBondContact O-OG 3.41Å; N495-R499 PolarHBondContact O-N 3.28Å; N495-R499 VanDerWaalsContact O-N 3.12Å
496	V	82.6	Confident	79.1	Confident	2 Å²	2	80.8 Å²	80.8	1%	0.012	40%	0.398	C	S	.	.	H	α-helix	trans	-53.5	-43.8	-179.9	178.7	0	0	0	0	112.2	N444 D445 Q450 D492 L493 S498 R499 L500	N444-V496 HydrophobicContact CB-CB 4.29Å; N444-V496 HydrophobicContact CB-CG1 3.95Å; D445-V496 HydrophobicContact CB-CG1 3.88Å; Q450-V496 HydrophobicContact CG-CG2 4.36Å; D492-V496 WeakPolarHBondContact O-CG2 3.26Å; D492-V496 PolarHBondContact O-N 2.89Å; L493-V496 WeakPolarHBondContact O-CG2 3.04Å; V496-S498 PolarHBondContact O-N 3.44Å; V496-R499 PolarHBondContact O-N 2.95Å; V496-L500 PolarHBondContact O-N 3.22Å
497	K	81.1	Confident	77.2	Confident	130 Å²	130	85 Å²	85	57%	0.565	43%	0.425	S	S	*	.	H	α-helix	trans	-61.9	-40.1	-178.9	-69.9	-174.6	-175.9	-178.3	0	113.2	N444 N495 K501	N444-K497 HydrophobicContact CB-CG 3.73Å; N444-K497 WeakPolarHBondContact OD1-CE 3.46Å; N495-K497 VanDerWaalsContact C-N 3.3Å; N495-K497 PolarHBondContact O-N 3.19Å; K497-K501 WeakPolarHBondContact O-CG 3.32Å; K497-K501 PolarHBondContact O-N 3.37Å
498	S	79.3	Confident	75.7	Confident	51 Å²	51	88 Å²	88	36%	0.357	44%	0.443	S	S	.	.	H	α-helix	trans	-72.9	-38.2	178.8	34.1	0	0	0	0	111.4	N495 V496 L500 K501 Q502	N495-S498 WeakPolarHBondContact CB-OG 3.32Å; N495-S498 PolarHBondContact O-N 2.97Å; N495-S498 PolarHBondContact O-OG 3.41Å; V496-S498 PolarHBondContact O-N 3.44Å; S498-L500 VanDerWaalsContact C-N 3.34Å; S498-L500 PolarHBondContact O-N 3.49Å; S498-K501 PolarHBondContact O-N 3.45Å; S498-Q502 WeakPolarHBondContact O-CG 3.34Å; S498-Q502 PolarHBondContact O-N 3.09Å
499	R	77.9	Confident	74	Confident	61 Å²	61	90.5 Å²	90.5	23%	0.23	46%	0.455	C	S	.	.	H	α-helix	trans	-61.1	-43	173.9	-68.8	-167.8	-62.7	139.7	7.9	111.5	D492 N495 V496 K501 Q502 N503	D492-R499 VanDerWaalsContact O-CZ 3.24Å; D492-R499 PolarHBondContact O-NE 3.23Å; D492-R499 VanDerWaalsContact O-NE 3.08Å; D492-R499 PolarHBondContact O-NH2 2.87Å; D492-R499 WeakPolarHBondContact OD1-CD 3.47Å; D492-R499 IonicContact OD1-NE 3.74Å; D492-R499 IonicContact OD1-NH1 3.91Å; N495-R499 PolarHBondContact O-N 3.28Å; N495-R499 VanDerWaalsContact O-N 3.12Å; V496-R499 PolarHBondContact O-N 2.95Å; R499-K501 VanDerWaalsContact C-N 3.33Å; R499-K501 PolarHBondContact O-N 3.14Å; R499-Q502 PolarHBondContact O-N 3.3Å; R499-N503 PolarHBondContact O-N 3.47Å
500	L	75.9	Confident	72.2	Confident	63 Å²	63	92 Å²	92	33%	0.33	47%	0.466	S	S	.	.	H	α-helix	trans	-61.2	-40.3	176.2	-169.9	69.3	0	0	0	112.3	V496 S498 N504	V496-L500 PolarHBondContact O-N 3.22Å; S498-L500 VanDerWaalsContact C-N 3.34Å; S498-L500 PolarHBondContact O-N 3.49Å; L500-N504 PolarHBondContact O-N 3.21Å; L500-N504 VanDerWaalsContact O-N 3.08Å
501	K	76.8	Confident	70.4	Confident	149 Å²	149	100.8 Å²	100.8	65%	0.648	50%	0.503	S	S	*	.	H	α-helix	trans	-66.3	-39.9	175.8	-73.4	179.3	-179.7	-175.4	0	112.7	K497 S498 R499 Q505	K497-K501 WeakPolarHBondContact O-CG 3.32Å; K497-K501 PolarHBondContact O-N 3.37Å; S498-K501 PolarHBondContact O-N 3.45Å; R499-K501 VanDerWaalsContact C-N 3.33Å; R499-K501 PolarHBondContact O-N 3.14Å; K501-Q505 WeakPolarHBondContact O-CG 3.44Å; K501-Q505 PolarHBondContact O-N 3.17Å
502	Q	68.4	Low	68.7	Low	119 Å²	119	98.7 Å²	98.7	56%	0.556	49%	0.492	S	S	*	.	H	α-helix	trans	-67.1	-43.7	177.4	-74.9	174.3	-21.3	0	0	111.3	S498 R499 N504 Q505 M506	S498-Q502 WeakPolarHBondContact O-CG 3.34Å; S498-Q502 PolarHBondContact O-N 3.09Å; R499-Q502 PolarHBondContact O-N 3.3Å; Q502-N504 VanDerWaalsContact C-N 3.33Å; Q502-N504 PolarHBondContact O-N 3.23Å; Q502-Q505 PolarHBondContact O-N 3.04Å; Q502-Q505 VanDerWaalsContact O-N 3.09Å; Q502-M506 PolarHBondContact O-N 2.82Å
503	N	64.4	Low	67.2	Low	84 Å²	84	102 Å²	102	45%	0.449	51%	0.506	S	S	.	.	H	α-helix	trans	-62.4	-39.3	176.8	-77.3	-0.2	0	0	0	112.1	R499 Q505 M506	R499-N503 PolarHBondContact O-N 3.47Å; N503-Q505 PolarHBondContact O-N 2.84Å; N503-M506 PolarHBondContact O-N 3.12Å
504	N	64	Low	65.8	Low	131 Å²	131	107.9 Å²	107.9	70%	0.701	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-15.2	176	-77	-0.9	0	0	0	114.1	L500 Q502	L500-N504 PolarHBondContact O-N 3.21Å; L500-N504 VanDerWaalsContact O-N 3.08Å; Q502-N504 VanDerWaalsContact C-N 3.33Å; Q502-N504 PolarHBondContact O-N 3.23Å
505	Q	59.2	Low	64.3	Low	163 Å²	163	111 Å²	111	76%	0.762	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-8.7	175.6	-73.6	-177.6	-6.7	0	0	113.1	K501 Q502 N503	K501-Q505 WeakPolarHBondContact O-CG 3.44Å; K501-Q505 PolarHBondContact O-N 3.17Å; Q502-Q505 PolarHBondContact O-N 3.04Å; Q502-Q505 VanDerWaalsContact O-N 3.09Å; N503-Q505 PolarHBondContact O-N 2.84Å
506	M	55.6	Low	62.8	Low	115 Å²	115	110.2 Å²	110.2	57%	0.567	54%	0.543	S	S	*	.	S	Bend	trans	-70.7	136.8	175.5	-72.1	-67.8	-177.8	0	0	110.1	Q502 N503	Q502-M506 PolarHBondContact O-N 2.82Å; N503-M506 PolarHBondContact O-N 3.12Å
507	P	53.3	Low	61.7	Low	88 Å²	88	114.9 Å²	114.9	57%	0.571	57%	0.568	S	S	*	*			trans	-61.2	141.8	177	23.8	-31.5	0	0	0	110.8	F509	P507-F509 PolarHBondContact O-N 3.42Å
508	L	57.7	Low	61.3	Low	173 Å²	173	115.7 Å²	115.7	91%	0.906	57%	0.571	S	S	*	*	S	Bend	trans	-53.7	-18.2	177.1	-88.2	146.8	0	0	0	114.3	V510	L508-V510 PolarHBondContact O-N 2.92Å
509	F	52.1	Low	61.5	Low	185 Å²	185	114.4 Å²	114.4	81%	0.811	56%	0.56	S	S	*	*			trans	-93.1	65.3	179.3	-57.3	-75.3	0	0	0	111.6	P507	P507-F509 PolarHBondContact O-N 3.42Å
510	V	49.3	Very low	61.9	Low	61 Å²	61	113.3 Å²	113.3	37%	0.37	56%	0.562	S	S	.	*			trans	-107.5	117.7	160.7	178.7	0	0	0	0	106.7	L508 D512 L516	L508-V510 PolarHBondContact O-N 2.92Å; V510-D512 PolarHBondContact O-N 3.48Å; V510-D512 VanDerWaalsContact O-N 3.11Å; V510-L516 HydrophobicContact CB-CD1 4Å; V510-L516 HydrophobicContact CG1-CD1 4.14Å
511	F	51.8	Low	62.5	Low	217 Å²	217	112.5 Å²	112.5	95%	0.952	56%	0.559	S	S	*	*	S	Bend	trans	-66.3	-10.2	-170.1	-89.2	-90.1	0	0	0	115.1
512	D	50.2	Low	63.2	Low	72 Å²	72	105.6 Å²	105.6	39%	0.385	53%	0.53	S	S	.	.			trans	-121.2	81.9	-177.4	-151.6	-5	0	0	0	110.9	V510 N514 E515	V510-D512 PolarHBondContact O-N 3.48Å; V510-D512 VanDerWaalsContact O-N 3.11Å; D512-N514 PolarHBondContact O-N 3.1Å; D512-N514 VanDerWaalsContact OD1-CB 3.29Å; D512-N514 WeakPolarHBondContact OD1-CB 3.17Å; D512-N514 PolarHBondContact OD1-N 3.36Å; D512-N514 PolarHBondContact OD1-ND2 3.04Å; D512-E515 HydrophobicContact CB-CB 4.47Å; D512-E515 HydrophobicContact CB-CG 4.3Å; D512-E515 PolarHBondContact O-N 3.29Å
513	E	52.8	Low	64.2	Low	130 Å²	130	104.5 Å²	104.5	61%	0.607	52%	0.521	S	S	*	.	H	α-helix	trans	-47.7	-25.5	168.5	-77.5	-87.2	164.8	0	0	112.3	N517	E513-N517 PolarHBondContact O-N 2.98Å; E513-N517 PolarHBondContact O-ND2 3.12Å; E513-N517 VanDerWaalsContact O-ND2 3.11Å
514	N	57.6	Low	65.5	Low	126 Å²	126	103.8 Å²	103.8	67%	0.674	51%	0.513	S	S	*	.	H	α-helix	trans	-71.2	-34.6	179.9	-56.4	-53.2	0	0	0	113.1	D512 K518	D512-N514 PolarHBondContact O-N 3.1Å; D512-N514 VanDerWaalsContact OD1-CB 3.29Å; D512-N514 WeakPolarHBondContact OD1-CB 3.17Å; D512-N514 PolarHBondContact OD1-N 3.36Å; D512-N514 PolarHBondContact OD1-ND2 3.04Å; N514-K518 PolarHBondContact O-N 3.32Å
515	E	55	Low	66.7	Low	128 Å²	128	97.9 Å²	97.9	60%	0.598	48%	0.482	S	S	*	.	H	α-helix	trans	-72.1	-44.2	-178.9	-80.6	-96.5	130.6	0	0	111.1	D512 N517 K518	D512-E515 HydrophobicContact CB-CB 4.47Å; D512-E515 HydrophobicContact CB-CG 4.3Å; D512-E515 PolarHBondContact O-N 3.29Å; E515-N517 PolarHBondContact O-N 3.14Å; E515-K518 WeakPolarHBondContact O-CB 3.49Å; E515-K518 PolarHBondContact O-N 3.46Å; E515-K518 VanDerWaalsContact O-N 3.15Å
516	L	52.9	Low	68.2	Low	66 Å²	66	90.1 Å²	90.1	35%	0.346	45%	0.445	S	S	.	.	H	α-helix	trans	-60.3	-36.3	177	-79.6	147.8	0	0	0	112.1	K448 V510	K448-L516 PolarHBondContact NZ-O 2.73Å; V510-L516 HydrophobicContact CB-CD1 4Å; V510-L516 HydrophobicContact CG1-CD1 4.14Å
517	N	60.2	Low	70	Confident	100 Å²	100	85.1 Å²	85.1	54%	0.535	42%	0.421	S	S	.	.	H	α-helix	trans	-90.1	-5.2	-179.8	-70.2	-41.1	0	0	0	113.7	K448 E513 E515 I519	K448-N517 WeakPolarHBondContact CE-O 3.31Å; K448-N517 PolarHBondContact NZ-O 3.34Å; E513-N517 PolarHBondContact O-N 2.98Å; E513-N517 PolarHBondContact O-ND2 3.12Å; E513-N517 VanDerWaalsContact O-ND2 3.11Å; E515-N517 PolarHBondContact O-N 3.14Å; N517-I519 PolarHBondContact O-N 3.13Å
518	K	73.5	Confident	71.9	Confident	148 Å²	148	81 Å²	81	64%	0.643	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-63.2	125.9	175.1	-164.1	172.4	-179.5	179	0	109.4	K448 N514 E515	K448-K518 PolarHBondContact NZ-O 3.44Å; K448-K518 VanDerWaalsContact NZ-O 3.11Å; N514-K518 PolarHBondContact O-N 3.32Å; E515-K518 WeakPolarHBondContact O-CB 3.49Å; E515-K518 PolarHBondContact O-N 3.46Å; E515-K518 VanDerWaalsContact O-N 3.15Å
519	I	82.7	Confident	73.5	Confident	23 Å²	23	74 Å²	74	12%	0.118	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-94.4	140.1	176.8	-61.2	144.1	0	0	0	107	Y392 K448 P449 L452 N517 T521	Y392-I519 HydrophobicContact CD2-CD1 4.2Å; Y392-I519 HydrophobicContact CE2-CD1 3.59Å; K448-I519 HydrophobicContact CD-CG1 4.45Å; K448-I519 HydrophobicContact CG-CG1 4.22Å; P449-I519 HydrophobicContact CG-CD1 3.47Å; P449-I519 VanDerWaalsContact CG-CD1 3.47Å; P449-I519 HydrophobicContact CG-CG1 3.99Å; P449-I519 HydrophobicContact CG-CG2 4.26Å; P449-I519 WeakPolarHBondContact O-CG2 3.37Å; L452-I519 HydrophobicContact CD1-CB 4.02Å; L452-I519 HydrophobicContact CD1-CD1 4.39Å; L452-I519 HydrophobicContact CD1-CG2 3.82Å; L452-I519 HydrophobicContact CG-CB 4.46Å; L452-I519 HydrophobicContact CG-CG2 3.7Å; N517-I519 PolarHBondContact O-N 3.13Å; I519-T521 PolarHBondContact O-N 2.82Å
520	S	87.3	Confident	75.3	Confident	38 Å²	38	70.1 Å²	70.1	27%	0.266	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	134.6	176.9	-164.6	0	0	0	0	110	L452 H489	L452-S520 PolarHBondContact N-O 3.46Å; H489-S520 PolarHBondContact CE1-OG 3.33Å; H489-S520 PolarHBondContact ND1-OG 3.13Å; H489-S520 VanDerWaalsContact ND1-OG 3.11Å
521	T	88.5	Confident	77.2	Confident	46 Å²	46	75.4 Å²	75.4	28%	0.282	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	124.3	178.7	-56.7	0	0	0	0	109.5	L452 N454 I519	L452-T521 HydrophobicContact CB-CG2 4.4Å; L452-T521 CarbonylContact O-C 3.49Å; L452-T521 VanDerWaalsContact O-CA 3.25Å; L452-T521 WeakPolarHBondContact O-CA 3.34Å; N454-T521 HydrophobicContact CB-CG2 4.14Å; I519-T521 PolarHBondContact O-N 2.82Å
522	S	90.3	Very high	79.1	Confident	4 Å²	4	65.9 Å²	65.9	3%	0.028	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	130.3	172.4	-166.9	0	0	0	0	109.7	L452 L453 N454 D485	L452-S522 PolarHBondContact O-N 2.89Å; L453-S522 WeakPolarHBondContact CA-O 3.19Å; N454-S522 PolarHBondContact N-O 3.21Å; D485-S522 PolarHBondContact O-OG 3.13Å
523	Y	90.7	Very high	81.2	Confident	97 Å²	97	62.8 Å²	62.8	38%	0.38	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-84.2	153.6	173.3	-67.1	-87.4	0	0	0	110.8	N454 N602 V603	N454-Y523 HydrophobicContact CB-CD1 3.95Å; N454-Y523 HydrophobicContact CB-CE1 4.31Å; Y523-N602 HydrophobicContact CD2-CB 4.49Å; Y523-V603 HydrophobicContact CG-CG2 4.43Å
524	Y	90.5	Very high	83.2	Confident	69 Å²	69	56.7 Å²	56.7	27%	0.271	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-63.5	147.2	173.8	60.2	-94.7	0	0	0	111	P456 V482 W484 L527 V603	P456-Y524 HydrophobicContact CB-CE1 4.22Å; V482-Y524 HydrophobicContact CG2-CG 4.1Å; W484-Y524 VanDerWaalsContact CD1-CA 3.41Å; Y524-L527 HydrophobicContact CD2-CD1 4.26Å; Y524-L527 HydrophobicContact CD2-CD2 3.91Å; Y524-L527 HydrophobicContact CD2-CG 3.75Å; Y524-L527 HydrophobicContact CE2-CD1 3.57Å; Y524-L527 HydrophobicContact CE2-CD2 4.08Å; Y524-L527 HydrophobicContact CE2-CG 3.52Å; Y524-L527 HydrophobicContact CG-CD2 4.32Å; Y524-V603 VanDerWaalsContact O-CG1 3.29Å; Y524-V603 WeakPolarHBondContact O-CG1 3.3Å
525	S	90.5	Very high	84.8	Confident	6 Å²	6	53.7 Å²	53.7	4%	0.042	28%	0.279	C	S	.	.	S	Bend	trans	-91.7	-33.2	-177.8	-174.6	0	0	0	0	112.5	L483 P604 F607	L483-S525 PolarHBondContact O-N 3.35Å; S525-P604 WeakPolarHBondContact CB-O 3.43Å; S525-P604 PolarHBondContact OG-O 3.32Å; S525-F607 PolarHBondContact OG-N 2.98Å
526	A	90.7	Very high	86.7	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	149.9	177.7	0	0	0	0	0	112.7	L483 F607 L610 D611	L483-A526 PolarHBondContact N-O 2.88Å; L483-A526 PolarHBondContact O-N 2.91Å; A526-F607 HydrophobicContact CB-CB 3.57Å; A526-F607 WeakPolarHBondContact CB-O 3.38Å; A526-L610 HydrophobicContact CB-CB 4.14Å; A526-D611 WeakPolarHBondContact CA-OD1 3.38Å; A526-D611 HydrophobicContact CB-CB 4.11Å
527	L	92.5	Very high	88.6	Confident	11 Å²	11	49.9 Å²	49.9	6%	0.058	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	148.9	169.6	-62.6	178.9	0	0	0	111.9	P456 V482 Y524 D611 L612	P456-L527 HydrophobicContact CB-CD1 4.13Å; P456-L527 HydrophobicContact CB-CD2 4.48Å; P456-L527 HydrophobicContact CG-CD1 4.21Å; P456-L527 HydrophobicContact CG-CD2 3.7Å; V482-L527 HydrophobicContact CB-CD2 3.56Å; V482-L527 HydrophobicContact CG2-CD2 3.58Å; Y524-L527 HydrophobicContact CD2-CD1 4.26Å; Y524-L527 HydrophobicContact CD2-CD2 3.91Å; Y524-L527 HydrophobicContact CD2-CG 3.75Å; Y524-L527 HydrophobicContact CE2-CD1 3.57Å; Y524-L527 HydrophobicContact CE2-CD2 4.08Å; Y524-L527 HydrophobicContact CE2-CG 3.52Å; Y524-L527 HydrophobicContact CG-CD2 4.32Å; L527-D611 PolarHBondContact N-OD1 3.46Å; L527-L612 HydrophobicContact CB-CD2 4.26Å; L527-L612 PolarHBondContact O-N 3.21Å
528	S	93.6	Very high	90.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-68.9	155.9	171.4	68.7	0	0	0	0	112.8	Q480 V481 I530 S533	Q480-S528 WeakPolarHBondContact CA-OG 3.38Å; Q480-S528 WeakPolarHBondContact CB-OG 3.42Å; Q480-S528 PolarHBondContact NE2-O 3.47Å; V481-S528 PolarHBondContact N-OG 3.04Å; V481-S528 PolarHBondContact O-N 2.89Å; V481-S528 PolarHBondContact O-OG 3.08Å; S528-I530 PolarHBondContact O-N 3.15Å; S528-S533 VanDerWaalsContact CB-OG 3.3Å; S528-S533 WeakPolarHBondContact CB-OG 3.35Å; S528-S533 PolarHBondContact OG-OG 3.18Å
529	N	91.3	Very high	91.5	Very high	26 Å²	26	38.6 Å²	38.6	14%	0.139	21%	0.212	C	C	.	.			trans	-66.6	117.2	173.9	-178.7	-76.9	0	0	0	109.9	E531 S532 S533 L612 W614 K615	N529-E531 VanDerWaalsContact C-N 3.3Å; N529-E531 PolarHBondContact O-N 3.39Å; N529-E531 PolarHBondContact OD1-N 3.15Å; N529-S532 PolarHBondContact O-N 3Å; N529-S532 VanDerWaalsContact O-N 3.14Å; N529-S532 PolarHBondContact OD1-N 3.24Å; N529-S533 WeakPolarHBondContact O-CB 3.27Å; N529-S533 PolarHBondContact O-N 3.02Å; N529-S533 VanDerWaalsContact O-N 3.08Å; N529-S533 PolarHBondContact O-OG 3.49Å; N529-L612 WeakPolarHBondContact CB-O 3.39Å; N529-L612 PolarHBondContact ND2-O 3.38Å; N529-W614 WeakPolarHBondContact CB-O 3.28Å; N529-W614 PolarHBondContact N-O 3.1Å; N529-K615 HydrophobicContact CB-CG 4.22Å
530	I	89.6	Confident	92.2	Very high	104 Å²	104	37.9 Å²	37.9	53%	0.533	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-57.6	-38.9	-172.6	-165.2	166.8	0	0	0	113.3	Q480 S528 S532 S533	Q480-I530 HydrophobicContact CG-CB 4.24Å; Q480-I530 HydrophobicContact CG-CG1 4.07Å; S528-I530 PolarHBondContact O-N 3.15Å; I530-S532 VanDerWaalsContact C-N 3.3Å; I530-S532 PolarHBondContact O-N 3.31Å; I530-S533 PolarHBondContact O-N 3.08Å
531	E	89.9	Confident	92.7	Very high	172 Å²	172	36.3 Å²	36.3	80%	0.804	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-71.8	-23.9	-177.3	-59.7	176.5	169.9	0	0	113.3	N529	N529-E531 VanDerWaalsContact C-N 3.3Å; N529-E531 PolarHBondContact O-N 3.39Å; N529-E531 PolarHBondContact OD1-N 3.15Å
532	S	91.1	Very high	93	Very high	18 Å²	18	37.1 Å²	37.1	13%	0.126	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-105.4	-3.6	-178.4	-59.6	0	0	0	0	113.8	N529 I530 K615 P616 R619	N529-S532 PolarHBondContact O-N 3Å; N529-S532 VanDerWaalsContact O-N 3.14Å; N529-S532 PolarHBondContact OD1-N 3.24Å; I530-S532 VanDerWaalsContact C-N 3.3Å; I530-S532 PolarHBondContact O-N 3.31Å; S532-K615 WeakPolarHBondContact OG-CD 3.44Å; S532-K615 WeakPolarHBondContact OG-CE 3.2Å; S532-K615 PolarHBondContact OG-NZ 2.78Å; S532-P616 WeakPolarHBondContact O-CD 3.47Å; S532-R619 PolarHBondContact O-NH1 3.2Å
533	S	94	Very high	93.4	Very high	6 Å²	6	37.6 Å²	37.6	4%	0.042	20%	0.198	C	C	.	.	S	Bend	trans	-81.8	-170.1	176.7	-55	0	0	0	0	111.1	G479 S528 N529 I530	G479-S533 VanDerWaalsContact O-CB 3.23Å; G479-S533 WeakPolarHBondContact O-CB 3.25Å; S528-S533 VanDerWaalsContact CB-OG 3.3Å; S528-S533 WeakPolarHBondContact CB-OG 3.35Å; S528-S533 PolarHBondContact OG-OG 3.18Å; N529-S533 WeakPolarHBondContact O-CB 3.27Å; N529-S533 PolarHBondContact O-N 3.02Å; N529-S533 VanDerWaalsContact O-N 3.08Å; N529-S533 PolarHBondContact O-OG 3.49Å; I530-S533 PolarHBondContact O-N 3.08Å
534	H	95.5	Very high	93.6	Very high	2 Å²	2	33 Å²	33	1%	0.009	18%	0.18	C	C	.	.			trans	-66	144.5	172.1	-66.4	-83.8	0	0	0	109.6	G479 L536 I538 T569 G571 N573 E575 L577	G479-H534 WeakPolarHBondContact CA-O 3.41Å; G479-H534 PolarHBondContact O-N 2.83Å; G479-H534 VanDerWaalsContact O-N 3.13Å; H534-L536 VanDerWaalsContact C-N 3.29Å; H534-L536 WeakPolarHBondContact CB-O 3.47Å; H534-I538 HydrophobicContact CB-CG1 4.34Å; H534-T569 PolarHBondContact CD2-OG1 2.77Å; H534-T569 PolarHBondContact NE2-O 3.38Å; H534-T569 PolarHBondContact NE2-OG1 2.77Å; H534-G571 PolarHBondContact CE1-N 2.72Å; H534-N573 PolarHBondContact ND1-OD1 3.36Å; H534-E575 PolarHBondContact CE1-O 3.41Å; H534-E575 VanDerWaalsContact CE1-O 3.29Å; H534-L577 VanDerWaalsContact CE1-CG 3.44Å; H534-L577 WeakPolarHBondContact CE1-CG 3.39Å
535	G	91.5	Very high	93.9	Very high	63 Å²	63	30 Å²	30	65%	0.649	17%	0.169	S	C	*	.	S	Bend	trans	-81.2	-10.1	173.3	0	0	0	0	0	113.8	N573	G535-N573 PolarHBondContact N-ND2 3.44Å
536	L	93.6	Very high	94	Very high	81 Å²	81	30.2 Å²	30.2	42%	0.424	17%	0.17	S	C	.	.	S	Bend	trans	-134.3	168.4	-176.3	-73.7	-180	0	0	0	110	G479 H534 I538 L572 N573	G479-L536 WeakPolarHBondContact CA-O 3.41Å; H534-L536 VanDerWaalsContact C-N 3.29Å; H534-L536 WeakPolarHBondContact CB-O 3.47Å; L536-I538 PolarHBondContact O-N 3.39Å; L536-L572 HydrophobicContact CB-CB 4.02Å; L536-L572 HydrophobicContact CD1-CB 3.94Å; L536-N573 HydrophobicContact CB-CB 4.15Å; L536-N573 HydrophobicContact CD1-CB 4.16Å; L536-N573 HydrophobicContact CG-CB 4.24Å
537	P	94.1	Very high	94.1	Very high	33 Å²	33	30.3 Å²	30.3	21%	0.214	17%	0.17	C	C	.	.			trans	-52	138.2	-176.4	-27.2	32.7	0	0	0	113.9	V477 T539 G571 L572	V477-P537 HydrophobicContact CG1-CG 4.1Å; V477-P537 WeakPolarHBondContact O-CA 2.9Å; V477-P537 VanDerWaalsContact O-CG 3.24Å; V477-P537 WeakPolarHBondContact O-CG 3.37Å; P537-T539 PolarHBondContact O-N 2.98Å; P537-G571 WeakPolarHBondContact O-CA 3.33Å; P537-L572 PolarHBondContact O-N 3.03Å
538	I	96.9	Very high	94.1	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	115.1	173.5	-55.6	-169.7	0	0	0	109.5	I460 C461 C476 G479 Q480 V481 H534 L536 T569 C570	I460-I538 WeakPolarHBondContact CB-O 3.16Å; I460-I538 WeakPolarHBondContact CG2-O 3.42Å; C461-I538 PolarHBondContact SG-O 2.67Å; C461-I538 VanDerWaalsContact SG-O 3.41Å; C476-I538 PolarHBondContact O-N 2.82Å; G479-I538 WeakPolarHBondContact O-CD1 3.36Å; Q480-I538 WeakPolarHBondContact O-CD1 3.23Å; V481-I538 HydrophobicContact CG2-CD1 3.55Å; H534-I538 HydrophobicContact CB-CG1 4.34Å; L536-I538 PolarHBondContact O-N 3.39Å; I538-T569 HydrophobicContact CD1-CG2 4.42Å; I538-T569 HydrophobicContact CG2-CG2 4.18Å; I538-C570 CarbonylContact C-O 3.5Å; I538-C570 WeakPolarHBondContact CA-O 3.26Å; I538-C570 WeakPolarHBondContact CG2-O 3.36Å
539	T	96.2	Very high	94.1	Very high	12 Å²	12	31.7 Å²	31.7	7%	0.074	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-27.6	-169.9	46.6	0	0	0	0	113.9	P537 C570 L572 P633 I634 K635	P537-T539 PolarHBondContact O-N 2.98Å; T539-C570 PolarHBondContact N-O 2.8Å; T539-C570 PolarHBondContact OG1-O 2.82Å; T539-C570 PolarHBondContact OG1-SG 3.48Å; T539-L572 HydrophobicContact CG2-CD1 4.35Å; T539-L572 HydrophobicContact CG2-CD2 3.8Å; T539-L572 HydrophobicContact CG2-CG 3.77Å; T539-P633 PolarHBondContact OG1-O 3.05Å; T539-I634 CarbonylContact C-O 3.5Å; T539-I634 WeakPolarHBondContact CB-O 3.25Å; T539-I634 WeakPolarHBondContact OG1-CA 3.08Å; T539-I634 PolarHBondContact OG1-O 3.36Å; T539-K635 PolarHBondContact O-NZ 2.94Å
540	D	97.6	Very high	94.2	Very high	8 Å²	8	30.5 Å²	30.5	4%	0.043	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	152.7	174.3	-159.9	8.5	0	0	0	110.8	K542 T569 C570 K635 F636	D540-K542 IonicContact OD1-NZ 3.57Å; D540-K542 IonicContact OD2-NZ 3.14Å; D540-K542 PolarHBondContact OD2-NZ 3.31Å; D540-T569 WeakPolarHBondContact O-CA 3.44Å; D540-C570 WeakPolarHBondContact CB-SG 3.44Å; D540-C570 PolarHBondContact N-SG 3.46Å; D540-C570 VanDerWaalsContact N-SG 3.38Å; D540-C570 PolarHBondContact O-N 2.87Å; D540-K635 HydrophobicContact CB-CD 4.1Å; D540-F636 HydrophobicContact CB-CD1 4.03Å; D540-F636 HydrophobicContact CB-CE1 4.03Å; D540-F636 PolarHBondContact OD2-N 2.86Å
541	L	97.4	Very high	94.2	Very high	5 Å²	5	27.6 Å²	27.6	3%	0.026	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	131.2	-179	-178.1	152.6	0	0	0	109.1	Q463 A473 V481 L567 M568 T569	Q463-L541 HydrophobicContact CB-CD2 3.75Å; Q463-L541 PolarHBondContact OE1-O 2.7Å; A473-L541 HydrophobicContact CB-CD1 3.88Å; A473-L541 HydrophobicContact CB-CD2 4.05Å; V481-L541 HydrophobicContact CG1-CD1 4.32Å; L541-L567 HydrophobicContact CD1-CD1 4.12Å; L541-L567 HydrophobicContact CG-CD1 4.21Å; L541-M568 WeakPolarHBondContact CA-O 3.43Å; L541-T569 HydrophobicContact CB-CG2 4.3Å; L541-T569 HydrophobicContact CD1-CG2 3.78Å; L541-T569 HydrophobicContact CG-CG2 3.94Å
542	K	96.1	Very high	94.2	Very high	62 Å²	62	26 Å²	26	27%	0.27	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	130.6	176.1	-63.5	-163.6	-170.6	-53.6	0	112.6	Q463 D540 L567 M568 F636	Q463-K542 VanDerWaalsContact OE1-CA 3.25Å; D540-K542 IonicContact OD1-NZ 3.57Å; D540-K542 IonicContact OD2-NZ 3.14Å; D540-K542 PolarHBondContact OD2-NZ 3.31Å; K542-L567 CarbonylContact O-C 3.53Å; K542-L567 VanDerWaalsContact O-CA 3.29Å; K542-L567 WeakPolarHBondContact O-CA 3.37Å; K542-M568 PolarHBondContact N-O 2.74Å; K542-M568 PolarHBondContact O-N 2.81Å; K542-F636 HydrophobicContact CB-CE2 4.18Å; K542-F636 HydrophobicContact CB-CZ 3.91Å; K542-F636 HydrophobicContact CD-CE2 4.4Å; K542-F636 WeakPolarHBondContact CE-O 3.49Å; K542-F636 HydrophobicContact CG-CE2 4.32Å; K542-F636 HydrophobicContact CG-CZ 4.01Å
543	W	97.5	Very high	94.1	Very high	14 Å²	14	29.4 Å²	29.4	5%	0.053	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	137	167.4	-70.7	93.1	0	0	0	110.9	Q463 F464 N465 P466 A473 L483 C564 L567 I581	Q463-W543 PolarHBondContact O-NE1 3.48Å; F464-W543 PolarHBondContact O-NE1 3.01Å; N465-W543 HydrophobicContact CB-CD2 4.19Å; N465-W543 HydrophobicContact CB-CH2 4.17Å; N465-W543 HydrophobicContact CB-CZ2 3.74Å; N465-W543 VanDerWaalsContact ND2-CZ3 3.35Å; N465-W543 WeakPolarHBondContact ND2-CZ3 3.34Å; P466-W543 HydrophobicContact CG-CB 4.3Å; A473-W543 HydrophobicContact CB-CH2 4.38Å; A473-W543 HydrophobicContact CB-CZ2 3.55Å; L483-W543 HydrophobicContact CD2-CH2 4.37Å; W543-C564 HydrophobicContact CB-CB 4.44Å; W543-C564 HydrophobicContact CE3-CB 4.08Å; W543-L567 HydrophobicContact CD2-CB 4.1Å; W543-L567 HydrophobicContact CD2-CD2 4.4Å; W543-L567 HydrophobicContact CE3-CB 3.95Å; W543-L567 HydrophobicContact CE3-CD2 4.22Å; W543-L567 HydrophobicContact CG-CB 4.49Å; W543-L567 HydrophobicContact CH2-CD2 3.76Å; W543-L567 HydrophobicContact CZ2-CD2 3.96Å; W543-L567 HydrophobicContact CZ3-CB 4.38Å; W543-L567 HydrophobicContact CZ3-CD2 3.89Å; W543-I581 HydrophobicContact CH2-CD1 4.42Å; W543-I581 HydrophobicContact CH2-CG2 3.93Å; W543-I581 HydrophobicContact CZ3-CD1 4.25Å; W543-I581 HydrophobicContact CZ3-CG2 3.95Å
544	I	96.4	Very high	93.9	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.01	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-67.1	135.4	169	-63.9	-59.4	0	0	0	108.4	L548 I550 C564 Q566 M568 L578 I638	I544-L548 HydrophobicContact CG2-CB 3.99Å; I544-L548 HydrophobicContact CG2-CD2 4.2Å; I544-L548 HydrophobicContact CG2-CG 4.3Å; I544-L548 WeakPolarHBondContact CG2-O 3.39Å; I544-I550 HydrophobicContact CD1-CD1 3.91Å; I544-C564 PolarHBondContact O-SG 2.84Å; I544-Q566 HydrophobicContact CB-CB 3.97Å; I544-Q566 HydrophobicContact CG1-CB 3.79Å; I544-Q566 PolarHBondContact N-O 2.83Å; I544-M568 HydrophobicContact CD1-CG 3.71Å; I544-M568 HydrophobicContact CD1-SD 3.49Å; I544-M568 WeakPolarHBondContact CD1-SD 3.4Å; I544-M568 HydrophobicContact CG1-CG 4.39Å; I544-L578 HydrophobicContact CD1-CD1 4.2Å; I544-L578 HydrophobicContact CG1-CD1 3.93Å; I544-I638 HydrophobicContact CD1-CD1 4.11Å
545	P	95.1	Very high	93.8	Very high	5 Å²	5	33.9 Å²	33.9	3%	0.032	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-52.8	141.8	176.1	-28.4	35.8	0	0	0	112.4	H547 L548 E640	P545-H547 WeakPolarHBondContact CB-CE1 3.27Å; P545-H547 WeakPolarHBondContact CB-ND1 3.45Å; P545-H547 PolarHBondContact O-N 3.17Å; P545-L548 PolarHBondContact O-N 3.05Å; P545-E640 HydrophobicContact CG-CB 3.96Å; P545-E640 VanDerWaalsContact CG-O 3.29Å; P545-E640 WeakPolarHBondContact CG-O 3.12Å
546	D	93.7	Very high	93.8	Very high	11 Å²	11	31.1 Å²	31.1	6%	0.059	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-18.4	-173.5	63.3	-9.5	0	0	0	116.6	T467 N559 Q562 K563 C564 Q642 R645	T467-D546 HydrophobicContact CG2-CB 3.39Å; D546-N559 WeakPolarHBondContact O-CB 3.41Å; D546-N559 PolarHBondContact O-ND2 3.28Å; D546-Q562 CarbonylContact O-C 3.54Å; D546-Q562 VanDerWaalsContact O-CA 3.3Å; D546-Q562 WeakPolarHBondContact O-CA 3.44Å; D546-K563 PolarHBondContact O-N 2.77Å; D546-C564 PolarHBondContact N-SG 2.84Å; D546-Q642 PolarHBondContact OD1-NE2 3.48Å; D546-Q642 PolarHBondContact OD1-OE1 3.09Å; D546-Q642 PolarHBondContact OD2-NE2 3.29Å; D546-R645 IonicContact OD1-CZ 3.78Å; D546-R645 IonicContact OD1-NH1 3.95Å; D546-R645 PolarHBondContact OD1-NH1 2.64Å; D546-R645 IonicContact OD1-NH2 2.76Å; D546-R645 PolarHBondContact OD1-NH2 3.36Å; D546-R645 IonicContact OD2-CZ 2.98Å; D546-R645 IonicContact OD2-NH1 2.8Å; D546-R645 IonicContact OD2-NH2 3.06Å; D546-R645 PolarHBondContact OD2-NH2 2.99Å
547	H	91.9	Very high	93.8	Very high	2 Å²	2	29 Å²	29	1%	0.009	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-5.5	-179.6	65.8	-82.7	0	0	0	113.2	P545 N559 E640 D644 R645 L648	P545-H547 WeakPolarHBondContact CB-CE1 3.27Å; P545-H547 WeakPolarHBondContact CB-ND1 3.45Å; P545-H547 PolarHBondContact O-N 3.17Å; H547-N559 PolarHBondContact O-N 2.9Å; H547-E640 IonicContact NE2-OE2 3.66Å; H547-D644 PolarHBondContact CE1-O 3.04Å; H547-R645 PolarHBondContact ND1-NH1 3.45Å; H547-L648 HydrophobicContact CB-CD1 4.01Å
548	L	93.2	Very high	93.6	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.021	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	139.7	-177.1	-168.9	70	0	0	0	110.2	I544 P545 I550 C556 E640 L647 L669	I544-L548 HydrophobicContact CG2-CB 3.99Å; I544-L548 HydrophobicContact CG2-CD2 4.2Å; I544-L548 HydrophobicContact CG2-CG 4.3Å; I544-L548 WeakPolarHBondContact CG2-O 3.39Å; P545-L548 PolarHBondContact O-N 3.05Å; L548-I550 HydrophobicContact CD2-CG1 4.45Å; L548-C556 HydrophobicContact CD1-CB 3.74Å; L548-E640 HydrophobicContact CD2-CB 4.37Å; L548-E640 HydrophobicContact CD2-CG 4.25Å; L548-L647 HydrophobicContact CD1-CD2 4.19Å; L548-L669 HydrophobicContact CD1-CD1 4.07Å
549	E	92.7	Very high	93.2	Very high	35 Å²	35	31.1 Å²	31.1	16%	0.164	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	131.2	168.4	-176.3	174.1	159.2	0	0	109.2	C556 F557 N559 R582 K585	E549-C556 CarbonylContact O-C 3.54Å; E549-F557 PolarHBondContact N-O 3.12Å; E549-F557 PolarHBondContact O-N 3.45Å; E549-N559 HydrophobicContact CB-CB 4.12Å; E549-R582 IonicContact OE1-CZ 3.51Å; E549-R582 IonicContact OE1-NH1 3.25Å; E549-R582 IonicContact OE1-NH2 3.19Å; E549-R582 PolarHBondContact OE1-NH2 3.36Å; E549-R582 IonicContact OE2-CZ 3.29Å; E549-R582 IonicContact OE2-NH1 3.62Å; E549-R582 PolarHBondContact OE2-NH1 3.49Å; E549-R582 IonicContact OE2-NH2 2.8Å; E549-R582 PolarHBondContact OE2-NH2 3.29Å; E549-K585 IonicContact OE1-NZ 3.47Å; E549-K585 PolarHBondContact OE1-NZ 2.59Å
550	I	94	Very high	92.8	Very high	2 Å²	2	36 Å²	36	1%	0.01	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	135.3	179.7	-56.7	171.2	0	0	0	109	I544 L548 Y555 Q566 L578 L617 W690	I544-I550 HydrophobicContact CD1-CD1 3.91Å; L548-I550 HydrophobicContact CD2-CG1 4.45Å; I550-Y555 WeakPolarHBondContact CA-O 3.22Å; I550-Q566 PolarHBondContact O-NE2 2.7Å; I550-Q566 PolarHBondContact O-OE1 2.77Å; I550-L578 HydrophobicContact CB-CD2 3.71Å; I550-L578 HydrophobicContact CD1-CD1 4.49Å; I550-L578 HydrophobicContact CG2-CD2 3.66Å; I550-L617 VanDerWaalsContact O-CD2 3.26Å; I550-L617 WeakPolarHBondContact O-CD2 3.42Å; I550-W690 HydrophobicContact CD1-CH2 4.49Å; I550-W690 HydrophobicContact CD1-CZ2 3.81Å
551	N	90.4	Very high	92.3	Very high	43 Å²	43	39.4 Å²	39.4	23%	0.23	18%	0.183	C	C	.	.			trans	-91.1	179.2	177.9	78.9	3.6	0	0	0	113	L553 G554 Y555 F557	N551-L553 PolarHBondContact O-N 3.38Å; N551-L553 VanDerWaalsContact O-N 3.12Å; N551-L553 VanDerWaalsContact OD1-C 3.31Å; N551-L553 WeakPolarHBondContact OD1-CA 3.43Å; N551-L553 WeakPolarHBondContact OD1-CB 3.38Å; N551-L553 PolarHBondContact OD1-N 3.29Å; N551-G554 PolarHBondContact O-N 3.38Å; N551-G554 PolarHBondContact OD1-N 2.68Å; N551-Y555 PolarHBondContact N-O 3.16Å; N551-Y555 PolarHBondContact OD1-N 2.84Å; N551-F557 HydrophobicContact CB-CD2 4.32Å; N551-F557 HydrophobicContact CB-CE2 3.76Å; N551-F557 VanDerWaalsContact ND2-CE2 3.31Å; N551-F557 WeakPolarHBondContact ND2-CE2 3.39Å
552	R	88.5	Confident	92	Very high	137 Å²	137	44.7 Å²	44.7	52%	0.517	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-15.9	177.9	-67	-175.5	-178.1	175	2.6	114.9	K585 L617	R552-K585 PolarHBondContact NH2-O 2.84Å; R552-L617 HydrophobicContact CG-CD1 3.32Å; R552-L617 HydrophobicContact CG-CG 3.67Å
553	L	89.1	Confident	91.8	Very high	90 Å²	90	47.9 Å²	47.9	47%	0.471	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	6.4	178.9	-59.9	176.1	0	0	0	111.7	N551 Y555 P692	N551-L553 PolarHBondContact O-N 3.38Å; N551-L553 VanDerWaalsContact O-N 3.12Å; N551-L553 VanDerWaalsContact OD1-C 3.31Å; N551-L553 WeakPolarHBondContact OD1-CA 3.43Å; N551-L553 WeakPolarHBondContact OD1-CB 3.38Å; N551-L553 PolarHBondContact OD1-N 3.29Å; L553-Y555 VanDerWaalsContact C-N 3.29Å; L553-Y555 HydrophobicContact CB-CD2 3.68Å; L553-Y555 HydrophobicContact CB-CE2 3.78Å; L553-Y555 HydrophobicContact CD1-CD2 4.4Å; L553-Y555 HydrophobicContact CD1-CE2 4.14Å; L553-Y555 PolarHBondContact O-N 2.93Å; L553-P692 WeakPolarHBondContact O-CD 3.29Å
554	G	89.9	Confident	91.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	82	-4.8	179.7	0	0	0	0	0	115.5	N551 W690	N551-G554 PolarHBondContact O-N 3.38Å; N551-G554 PolarHBondContact OD1-N 2.68Å; G554-W690 PolarHBondContact O-NE1 3.36Å
555	Y	93	Very high	91.6	Very high	103 Å²	103	48.1 Å²	48.1	40%	0.404	23%	0.225	S	C	.	.			trans	-70.2	137.3	178.1	-63	-68.5	0	0	0	111.5	I550 N551 L553 F557 P668 I691	I550-Y555 WeakPolarHBondContact CA-O 3.22Å; N551-Y555 PolarHBondContact N-O 3.16Å; N551-Y555 PolarHBondContact OD1-N 2.84Å; L553-Y555 VanDerWaalsContact C-N 3.29Å; L553-Y555 HydrophobicContact CB-CD2 3.68Å; L553-Y555 HydrophobicContact CB-CE2 3.78Å; L553-Y555 HydrophobicContact CD1-CD2 4.4Å; L553-Y555 HydrophobicContact CD1-CE2 4.14Å; L553-Y555 PolarHBondContact O-N 2.93Å; Y555-F557 WeakPolarHBondContact O-CD2 3.18Å; Y555-F557 VanDerWaalsContact O-CE2 3.26Å; Y555-F557 WeakPolarHBondContact O-CE2 3.45Å; Y555-P668 HydrophobicContact CD1-CB 4.46Å; Y555-P668 HydrophobicContact CD1-CG 4.3Å; Y555-P668 HydrophobicContact CG-CG 4.26Å; Y555-I691 HydrophobicContact CD1-CD1 4.45Å
556	C	93.5	Very high	91.6	Very high	4 Å²	4	48 Å²	48	3%	0.027	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	134.8	177.9	-70.5	0	0	0	0	111.9	L548 E549 P668 L669 A672	L548-C556 HydrophobicContact CD1-CB 3.74Å; E549-C556 CarbonylContact O-C 3.54Å; C556-P668 CarbonylContact O-C 3.49Å; C556-P668 VanDerWaalsContact O-CA 3.3Å; C556-P668 WeakPolarHBondContact O-CA 3.48Å; C556-L669 PolarHBondContact O-N 3.1Å; C556-A672 HydrophobicContact CB-CB 3.51Å
557	F	91.8	Very high	91.8	Very high	36 Å²	36	47.5 Å²	47.5	16%	0.158	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	157.2	176.7	-60.5	-89.6	0	0	0	110.2	E549 N551 Y555 N559 L666 P668	E549-F557 PolarHBondContact N-O 3.12Å; E549-F557 PolarHBondContact O-N 3.45Å; N551-F557 HydrophobicContact CB-CD2 4.32Å; N551-F557 HydrophobicContact CB-CE2 3.76Å; N551-F557 VanDerWaalsContact ND2-CE2 3.31Å; N551-F557 WeakPolarHBondContact ND2-CE2 3.39Å; Y555-F557 WeakPolarHBondContact O-CD2 3.18Å; Y555-F557 VanDerWaalsContact O-CE2 3.26Å; Y555-F557 WeakPolarHBondContact O-CE2 3.45Å; F557-N559 PolarHBondContact O-N 3.23Å; F557-L666 HydrophobicContact CD1-CB 4.23Å; F557-L666 WeakPolarHBondContact CE1-O 3.3Å; F557-P668 HydrophobicContact CE1-CB 4.23Å; F557-P668 HydrophobicContact CE1-CG 3.85Å; F557-P668 HydrophobicContact CZ-CB 4.36Å; F557-P668 HydrophobicContact CZ-CG 3.89Å
558	E	89.9	Confident	92	Very high	74 Å²	74	47.5 Å²	47.5	35%	0.346	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	128.1	169.8	-176.6	-176.8	155.3	0	0	110	H560 L648 L669	E558-H560 VanDerWaalsContact CD-CE1 3.46Å; E558-H560 PolarHBondContact O-N 3.1Å; E558-H560 IonicContact OE1-CE1 3.32Å; E558-H560 IonicContact OE1-ND1 3.68Å; E558-H560 PolarHBondContact OE1-ND1 2.89Å; E558-H560 VanDerWaalsContact OE1-ND1 3.14Å; E558-H560 IonicContact OE2-CE1 3.82Å; E558-L648 HydrophobicContact CB-CD2 4.16Å; E558-L648 HydrophobicContact CG-CD1 4.31Å; E558-L648 HydrophobicContact CG-CD2 3.75Å; E558-L669 HydrophobicContact CB-CD1 4.36Å; E558-L669 HydrophobicContact CB-CD2 4.21Å
559	N	89.7	Confident	92.3	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.021	22%	0.22	C	C	.	.			trans	-87.5	96.8	172.3	-177.2	2.6	0	0	0	110.8	D546 H547 E549 F557 T561 Q562 K563	D546-N559 WeakPolarHBondContact O-CB 3.41Å; D546-N559 PolarHBondContact O-ND2 3.28Å; H547-N559 PolarHBondContact O-N 2.9Å; E549-N559 HydrophobicContact CB-CB 4.12Å; F557-N559 PolarHBondContact O-N 3.23Å; N559-T561 PolarHBondContact O-N 3.32Å; N559-T561 VanDerWaalsContact O-N 3.16Å; N559-T561 WeakPolarHBondContact OD1-CB 3.48Å; N559-T561 PolarHBondContact OD1-N 3.26Å; N559-T561 PolarHBondContact OD1-OG1 3.29Å; N559-Q562 PolarHBondContact O-N 3.12Å; N559-Q562 VanDerWaalsContact O-N 3.13Å; N559-K563 PolarHBondContact ND2-O 3.13Å
560	H	87	Confident	92.4	Very high	116 Å²	116	45.7 Å²	45.7	54%	0.537	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-15.9	178.3	-57.4	-45.6	0	0	0	114.1	E558 Q562	E558-H560 VanDerWaalsContact CD-CE1 3.46Å; E558-H560 PolarHBondContact O-N 3.1Å; E558-H560 IonicContact OE1-CE1 3.32Å; E558-H560 IonicContact OE1-ND1 3.68Å; E558-H560 PolarHBondContact OE1-ND1 2.89Å; E558-H560 VanDerWaalsContact OE1-ND1 3.14Å; E558-H560 IonicContact OE2-CE1 3.82Å; H560-Q562 VanDerWaalsContact C-N 3.28Å
561	T	88.6	Confident	92.4	Very high	78 Å²	78	45.6 Å²	45.6	48%	0.479	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-16.1	176.2	71.3	0	0	0	0	113	N559 K563	N559-T561 PolarHBondContact O-N 3.32Å; N559-T561 VanDerWaalsContact O-N 3.16Å; N559-T561 WeakPolarHBondContact OD1-CB 3.48Å; N559-T561 PolarHBondContact OD1-N 3.26Å; N559-T561 PolarHBondContact OD1-OG1 3.29Å; T561-K563 PolarHBondContact O-N 2.96Å
562	Q	89.6	Confident	92.5	Very high	116 Å²	116	45.6 Å²	45.6	54%	0.542	21%	0.212	S	C	.	.			trans	50.4	42.8	-178	-60.7	-174.2	3.2	0	0	112.9	D546 N559 H560	D546-Q562 CarbonylContact O-C 3.54Å; D546-Q562 VanDerWaalsContact O-CA 3.3Å; D546-Q562 WeakPolarHBondContact O-CA 3.44Å; N559-Q562 PolarHBondContact O-N 3.12Å; N559-Q562 VanDerWaalsContact O-N 3.13Å; H560-Q562 VanDerWaalsContact C-N 3.28Å
563	K	93	Very high	92.6	Very high	130 Å²	130	41 Å²	41	57%	0.565	20%	0.198	S	C	*	.	S	Bend	trans	-131.4	134.4	178	-71.3	177.2	-176.2	-177.4	0	109.6	D546 N559 T561 V565	D546-K563 PolarHBondContact O-N 2.77Å; N559-K563 PolarHBondContact ND2-O 3.13Å; T561-K563 PolarHBondContact O-N 2.96Å; K563-V565 HydrophobicContact CB-CG1 4.14Å; K563-V565 PolarHBondContact O-N 3.11Å
564	C	94.6	Very high	92.7	Very high	3 Å²	3	36.8 Å²	36.8	2%	0.02	18%	0.176	C	C	.	.			trans	-66.7	102.8	169.9	-64.6	0	0	0	0	108.8	N465 T467 W543 I544 D546	N465-C564 PolarHBondContact ND2-O 2.84Å; N465-C564 WeakPolarHBondContact OD1-CB 3.49Å; T467-C564 HydrophobicContact CG2-CB 4.43Å; T467-C564 PolarHBondContact OG1-N 3.1Å; W543-C564 HydrophobicContact CB-CB 4.44Å; W543-C564 HydrophobicContact CE3-CB 4.08Å; I544-C564 PolarHBondContact O-SG 2.84Å; D546-C564 PolarHBondContact N-SG 2.84Å
565	V	93.7	Very high	92.8	Very high	18 Å²	18	37.4 Å²	37.4	11%	0.109	18%	0.179	C	C	.	.			trans	-114.6	-5.3	178.9	-66	0	0	0	0	112.9	K563 I581 R582	K563-V565 HydrophobicContact CB-CG1 4.14Å; K563-V565 PolarHBondContact O-N 3.11Å; V565-I581 HydrophobicContact CB-CD1 4.41Å; V565-I581 HydrophobicContact CB-CG1 4.18Å; V565-I581 HydrophobicContact CG1-CD1 4.43Å; V565-I581 WeakPolarHBondContact O-CG1 3.24Å; V565-I581 PolarHBondContact O-N 2.82Å; V565-R582 HydrophobicContact CB-CG 4.41Å
566	Q	95.9	Very high	93	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.009	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	152	179.2	-69	178.7	-21.8	0	0	110.6	I544 I550 L578 W579 D580	I544-Q566 HydrophobicContact CB-CB 3.97Å; I544-Q566 HydrophobicContact CG1-CB 3.79Å; I544-Q566 PolarHBondContact N-O 2.83Å; I550-Q566 PolarHBondContact O-NE2 2.7Å; I550-Q566 PolarHBondContact O-OE1 2.77Å; Q566-L578 HydrophobicContact CB-CD1 4.34Å; Q566-W579 CarbonylContact C-O 3.56Å; Q566-W579 WeakPolarHBondContact CA-O 3.31Å; Q566-W579 WeakPolarHBondContact CB-O 3.39Å; Q566-D580 HydrophobicContact CG-CB 4.16Å; Q566-D580 WeakPolarHBondContact CG-OD2 3.46Å; Q566-D580 PolarHBondContact NE2-OD2 2.93Å
567	L	97.2	Very high	93.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	155.1	176	65.9	91.1	0	0	0	110.5	A473 V481 L541 K542 W543 T569 L578 W579 W614	A473-L567 HydrophobicContact CB-CD2 3.65Å; V481-L567 HydrophobicContact CG1-CD1 4.37Å; L541-L567 HydrophobicContact CD1-CD1 4.12Å; L541-L567 HydrophobicContact CG-CD1 4.21Å; K542-L567 CarbonylContact O-C 3.53Å; K542-L567 VanDerWaalsContact O-CA 3.29Å; K542-L567 WeakPolarHBondContact O-CA 3.37Å; W543-L567 HydrophobicContact CD2-CB 4.1Å; W543-L567 HydrophobicContact CD2-CD2 4.4Å; W543-L567 HydrophobicContact CE3-CB 3.95Å; W543-L567 HydrophobicContact CE3-CD2 4.22Å; W543-L567 HydrophobicContact CG-CB 4.49Å; W543-L567 HydrophobicContact CH2-CD2 3.76Å; W543-L567 HydrophobicContact CZ2-CD2 3.96Å; W543-L567 HydrophobicContact CZ3-CB 4.38Å; W543-L567 HydrophobicContact CZ3-CD2 3.89Å; L567-T569 HydrophobicContact CD1-CG2 3.62Å; L567-L578 CarbonylContact O-C 3.59Å; L567-W579 HydrophobicContact CD1-CB 3.98Å; L567-W579 HydrophobicContact CD1-CG 4.01Å; L567-W579 HydrophobicContact CG-CB 4.05Å; L567-W579 PolarHBondContact N-O 2.99Å; L567-W579 PolarHBondContact O-N 3.31Å; L567-W614 HydrophobicContact CD2-CH2 4.07Å; L567-W614 HydrophobicContact CD2-CZ2 4.41Å
568	M	97.5	Very high	93.4	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.015	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	144	175.1	-66.2	173.7	76.9	0	0	109.8	L541 K542 I544 I576 L577 L578 I620 F636 I638 I676	L541-M568 WeakPolarHBondContact CA-O 3.43Å; K542-M568 PolarHBondContact N-O 2.74Å; K542-M568 PolarHBondContact O-N 2.81Å; I544-M568 HydrophobicContact CD1-CG 3.71Å; I544-M568 HydrophobicContact CD1-SD 3.49Å; I544-M568 WeakPolarHBondContact CD1-SD 3.4Å; I544-M568 HydrophobicContact CG1-CG 4.39Å; M568-I576 HydrophobicContact CB-CG2 4.48Å; M568-I576 HydrophobicContact CE-CG2 3.69Å; M568-L577 CarbonylContact C-O 3.55Å; M568-L577 VanDerWaalsContact CA-O 3.25Å; M568-L577 WeakPolarHBondContact CA-O 3.44Å; M568-L578 HydrophobicContact CG-CD1 3.65Å; M568-I620 HydrophobicContact CE-CD1 3.9Å; M568-F636 HydrophobicContact CB-CE2 3.69Å; M568-F636 HydrophobicContact CB-CZ 3.52Å; M568-F636 HydrophobicContact CE-CE2 4.24Å; M568-F636 HydrophobicContact SD-CE2 4.21Å; M568-I638 HydrophobicContact SD-CG2 4.18Å; M568-I676 HydrophobicContact CE-CD1 3.41Å; M568-I676 VanDerWaalsContact CE-CD1 3.41Å; M568-I676 HydrophobicContact CE-CG1 4.44Å
569	T	98.1	Very high	93.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	144.9	173.8	58.9	0	0	0	0	109.9	V481 H534 I538 D540 L541 L567 I576 L577 W579	V481-T569 HydrophobicContact CG2-CG2 3.88Å; H534-T569 PolarHBondContact CD2-OG1 2.77Å; H534-T569 PolarHBondContact NE2-O 3.38Å; H534-T569 PolarHBondContact NE2-OG1 2.77Å; I538-T569 HydrophobicContact CD1-CG2 4.42Å; I538-T569 HydrophobicContact CG2-CG2 4.18Å; D540-T569 WeakPolarHBondContact O-CA 3.44Å; L541-T569 HydrophobicContact CB-CG2 4.3Å; L541-T569 HydrophobicContact CD1-CG2 3.78Å; L541-T569 HydrophobicContact CG-CG2 3.94Å; L567-T569 HydrophobicContact CD1-CG2 3.62Å; T569-I576 CarbonylContact O-C 3.08Å; T569-I576 VanDerWaalsContact O-CA 3.27Å; T569-I576 WeakPolarHBondContact O-CA 3.31Å; T569-I576 WeakPolarHBondContact O-CG2 3.36Å; T569-L577 PolarHBondContact N-O 3.43Å; T569-L577 PolarHBondContact O-N 3.29Å; T569-W579 PolarHBondContact OG1-NE1 3.39Å
570	C	96.4	Very high	93.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	146.3	168.9	71.8	0	0	0	0	110.5	I538 T539 D540 I576 P633 F636	I538-C570 CarbonylContact C-O 3.5Å; I538-C570 WeakPolarHBondContact CA-O 3.26Å; I538-C570 WeakPolarHBondContact CG2-O 3.36Å; T539-C570 PolarHBondContact N-O 2.8Å; T539-C570 PolarHBondContact OG1-O 2.82Å; T539-C570 PolarHBondContact OG1-SG 3.48Å; D540-C570 WeakPolarHBondContact CB-SG 3.44Å; D540-C570 PolarHBondContact N-SG 3.46Å; D540-C570 VanDerWaalsContact N-SG 3.38Å; D540-C570 PolarHBondContact O-N 2.87Å; C570-I576 HydrophobicContact CB-CG1 3.93Å; C570-P633 HydrophobicContact CB-CB 4.11Å; C570-P633 HydrophobicContact CB-CG 3.94Å; C570-F636 HydrophobicContact CB-CD1 3.7Å; C570-F636 HydrophobicContact CB-CE1 4.04Å
571	G	93.6	Very high	94.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	159.6	175.9	0	0	0	0	0	111.2	H534 P537 N573 G574 E575 P633	H534-G571 PolarHBondContact CE1-N 2.72Å; P537-G571 WeakPolarHBondContact O-CA 3.33Å; G571-N573 PolarHBondContact O-N 2.82Å; G571-N573 PolarHBondContact O-OD1 2.95Å; G571-G574 PolarHBondContact O-N 2.82Å; G571-E575 PolarHBondContact N-O 3.43Å; G571-E575 VanDerWaalsContact N-O 3.16Å; G571-P633 VanDerWaalsContact O-CD 3.25Å; G571-P633 WeakPolarHBondContact O-CD 3.13Å; G571-P633 WeakPolarHBondContact O-CG 3.41Å
572	L	92.2	Very high	94.3	Very high	43 Å²	43	20.5 Å²	20.5	23%	0.225	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-3.6	-179.9	-62.3	175.5	0	0	0	113.9	L536 P537 T539 G574 A632 I634	L536-L572 HydrophobicContact CB-CB 4.02Å; L536-L572 HydrophobicContact CD1-CB 3.94Å; P537-L572 PolarHBondContact O-N 3.03Å; T539-L572 HydrophobicContact CG2-CD1 4.35Å; T539-L572 HydrophobicContact CG2-CD2 3.8Å; T539-L572 HydrophobicContact CG2-CG 3.77Å; L572-G574 PolarHBondContact O-N 2.73Å; L572-A632 HydrophobicContact CD2-CB 4.36Å; L572-A632 WeakPolarHBondContact O-CB 3.33Å; L572-I634 HydrophobicContact CD2-CD1 4.39Å; L572-I634 HydrophobicContact CD2-CG1 3.79Å
573	N	89.9	Confident	94	Very high	41 Å²	41	17.4 Å²	17.4	22%	0.219	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	16	177.7	68.8	-40.2	0	0	0	113.8	H534 G535 L536 G571 E575	H534-N573 PolarHBondContact ND1-OD1 3.36Å; G535-N573 PolarHBondContact N-ND2 3.44Å; L536-N573 HydrophobicContact CB-CB 4.15Å; L536-N573 HydrophobicContact CD1-CB 4.16Å; L536-N573 HydrophobicContact CG-CB 4.24Å; G571-N573 PolarHBondContact O-N 2.82Å; G571-N573 PolarHBondContact O-OD1 2.95Å; N573-E575 VanDerWaalsContact C-N 3.34Å; N573-E575 PolarHBondContact ND2-OE2 2.95Å; N573-E575 PolarHBondContact O-N 2.78Å
574	G	91.1	Very high	93.5	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.01	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	17.7	177.1	0	0	0	0	0	115.2	G571 L572 L622 H631	G571-G574 PolarHBondContact O-N 2.82Å; L572-G574 PolarHBondContact O-N 2.73Å; G574-L622 PolarHBondContact O-N 3.38Å; G574-H631 VanDerWaalsContact CA-O 3.25Å; G574-H631 WeakPolarHBondContact CA-O 3.31Å
575	E	93.6	Very high	92.9	Very high	14 Å²	14	19.9 Å²	19.9	7%	0.065	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	145.5	-174.8	-67.1	178.8	148.2	0	0	112.5	H534 G571 N573 L577 R619 I620 H621	H534-E575 PolarHBondContact CE1-O 3.41Å; H534-E575 VanDerWaalsContact CE1-O 3.29Å; G571-E575 PolarHBondContact N-O 3.43Å; G571-E575 VanDerWaalsContact N-O 3.16Å; N573-E575 VanDerWaalsContact C-N 3.34Å; N573-E575 PolarHBondContact ND2-OE2 2.95Å; N573-E575 PolarHBondContact O-N 2.78Å; E575-L577 HydrophobicContact CB-CD2 4.35Å; E575-R619 IonicContact OE1-CZ 2.74Å; E575-R619 IonicContact OE1-NE 3.53Å; E575-R619 PolarHBondContact OE1-NE 3.45Å; E575-R619 IonicContact OE1-NH2 3.7Å; E575-R619 PolarHBondContact OE1-NH2 3.47Å; E575-R619 IonicContact OE2-CZ 2.73Å; E575-R619 IonicContact OE2-NH2 3.18Å; E575-R619 PolarHBondContact OE2-NH2 3.41Å; E575-I620 CarbonylContact C-O 3.5Å; E575-I620 VanDerWaalsContact CA-O 3.32Å; E575-I620 WeakPolarHBondContact CA-O 3.43Å; E575-H621 WeakPolarHBondContact CG-ND1 3.28Å; E575-H621 IonicContact OE1-CE1 2.71Å; E575-H621 PolarHBondContact OE1-CE1 2.85Å; E575-H621 IonicContact OE1-ND1 2.97Å; E575-H621 IonicContact OE1-NE2 3.49Å; E575-H621 PolarHBondContact OE1-NE2 2.96Å
576	I	96.5	Very high	92	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	125.6	162.1	-55.5	178	0	0	0	107.6	M568 T569 C570 I620 L622 P633 F636 I676 A678	M568-I576 HydrophobicContact CB-CG2 4.48Å; M568-I576 HydrophobicContact CE-CG2 3.69Å; T569-I576 CarbonylContact O-C 3.08Å; T569-I576 VanDerWaalsContact O-CA 3.27Å; T569-I576 WeakPolarHBondContact O-CA 3.31Å; T569-I576 WeakPolarHBondContact O-CG2 3.36Å; C570-I576 HydrophobicContact CB-CG1 3.93Å; I576-I620 HydrophobicContact CB-CB 4.12Å; I576-I620 HydrophobicContact CB-CD1 4.33Å; I576-I620 HydrophobicContact CG2-CD1 4.23Å; I576-I620 PolarHBondContact N-O 2.96Å; I576-I620 WeakPolarHBondContact O-CA 3.3Å; I576-I620 VanDerWaalsContact O-CB 3.28Å; I576-I620 WeakPolarHBondContact O-CB 3.33Å; I576-I620 PolarHBondContact O-N 3.11Å; I576-L622 HydrophobicContact CD1-CD1 4.32Å; I576-P633 HydrophobicContact CG1-CG 4.37Å; I576-F636 HydrophobicContact CD1-CB 4.13Å; I576-F636 HydrophobicContact CD1-CG 4.32Å; I576-I676 HydrophobicContact CD1-CD1 4.09Å; I576-I676 HydrophobicContact CD1-CG2 4.07Å; I576-I676 HydrophobicContact CG2-CD1 4.39Å; I576-A678 HydrophobicContact CD1-CB 4.32Å
577	L	96.4	Very high	90.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	134.3	-174.9	-62.1	-176.3	0	0	0	110.2	H534 M568 T569 E575 W579 P616 R619	H534-L577 VanDerWaalsContact CE1-CG 3.44Å; H534-L577 WeakPolarHBondContact CE1-CG 3.39Å; M568-L577 CarbonylContact C-O 3.55Å; M568-L577 VanDerWaalsContact CA-O 3.25Å; M568-L577 WeakPolarHBondContact CA-O 3.44Å; T569-L577 PolarHBondContact N-O 3.43Å; T569-L577 PolarHBondContact O-N 3.29Å; E575-L577 HydrophobicContact CB-CD2 4.35Å; L577-W579 HydrophobicContact CB-CZ2 4.09Å; L577-W579 HydrophobicContact CD1-CH2 4.46Å; L577-W579 HydrophobicContact CD1-CZ2 3.7Å; L577-W579 PolarHBondContact O-NE1 3.33Å; L577-P616 HydrophobicContact CB-CB 4.03Å; L577-P616 HydrophobicContact CD1-CB 4.43Å; L577-P616 HydrophobicContact CD1-CG 4.23Å; L577-P616 HydrophobicContact CD2-CB 4.33Å; L577-P616 HydrophobicContact CD2-CG 4.31Å; L577-P616 HydrophobicContact CG-CB 4.5Å; L577-R619 HydrophobicContact CD2-CB 3.83Å; L577-R619 HydrophobicContact CD2-CG 3.71Å
578	L	96.5	Very high	88.9	Confident	2 Å²	2	26.5 Å²	26.5	1%	0.01	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	134.4	172.3	-179.4	70.1	0	0	0	109.5	I544 I550 Q566 L567 M568 P616 L617 L618	I544-L578 HydrophobicContact CD1-CD1 4.2Å; I544-L578 HydrophobicContact CG1-CD1 3.93Å; I550-L578 HydrophobicContact CB-CD2 3.71Å; I550-L578 HydrophobicContact CD1-CD1 4.49Å; I550-L578 HydrophobicContact CG2-CD2 3.66Å; Q566-L578 HydrophobicContact CB-CD1 4.34Å; L567-L578 CarbonylContact O-C 3.59Å; M568-L578 HydrophobicContact CG-CD1 3.65Å; L578-P616 CarbonylContact O-C 3.59Å; L578-P616 WeakPolarHBondContact O-CA 3.5Å; L578-P616 WeakPolarHBondContact O-CB 3.26Å; L578-L617 HydrophobicContact CD2-CB 4.34Å; L578-L617 HydrophobicContact CD2-CD2 3.97Å; L578-L617 HydrophobicContact CG-CB 4.43Å; L578-L617 PolarHBondContact O-N 3Å; L578-L618 HydrophobicContact CB-CB 3.96Å; L578-L618 HydrophobicContact CD2-CB 4.11Å; L578-L618 PolarHBondContact N-O 3.47Å
579	W	95.8	Very high	87	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	150.6	-177.5	-52.9	83.5	0	0	0	111	V481 Q566 L567 T569 L577 W614 P616	V481-W579 HydrophobicContact CG2-CD2 4.18Å; V481-W579 HydrophobicContact CG2-CH2 4.24Å; V481-W579 HydrophobicContact CG2-CZ2 3.68Å; Q566-W579 CarbonylContact C-O 3.56Å; Q566-W579 WeakPolarHBondContact CA-O 3.31Å; Q566-W579 WeakPolarHBondContact CB-O 3.39Å; L567-W579 HydrophobicContact CD1-CB 3.98Å; L567-W579 HydrophobicContact CD1-CG 4.01Å; L567-W579 HydrophobicContact CG-CB 4.05Å; L567-W579 PolarHBondContact N-O 2.99Å; L567-W579 PolarHBondContact O-N 3.31Å; T569-W579 PolarHBondContact OG1-NE1 3.39Å; L577-W579 HydrophobicContact CB-CZ2 4.09Å; L577-W579 HydrophobicContact CD1-CH2 4.46Å; L577-W579 HydrophobicContact CD1-CZ2 3.7Å; L577-W579 PolarHBondContact O-NE1 3.33Å; W579-W614 HydrophobicContact CB-CH2 4.33Å; W579-W614 HydrophobicContact CB-CZ2 3.52Å; W579-W614 AromaticContact CE3-CD2 3.94Å; W579-W614 HydrophobicContact CE3-CD2 3.94Å; W579-W614 AromaticContact CE3-CE2 3.85Å; W579-W614 HydrophobicContact CE3-CG 4.16Å; W579-W614 HydrophobicContact CE3-CZ2 4.38Å; W579-W614 AromaticContact CE3-NE1 3.94Å; W579-W614 HydrophobicContact CG-CZ2 4.26Å; W579-W614 HydrophobicContact CZ3-CD2 4.46Å; W579-W614 HydrophobicContact CZ3-CG 4.46Å; W579-P616 HydrophobicContact CD2-CB 4.16Å; W579-P616 HydrophobicContact CE3-CB 4.21Å; W579-P616 HydrophobicContact CH2-CB 4.35Å; W579-P616 HydrophobicContact CH2-CG 4.34Å; W579-P616 HydrophobicContact CZ2-CB 4.29Å; W579-P616 HydrophobicContact CZ3-CB 4.31Å; W579-P616 HydrophobicContact CZ3-CG 4.47Å
580	D	94.4	Very high	85	Confident	3 Å²	3	32.3 Å²	32.3	2%	0.016	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	128.5	177	-162.1	-52	0	0	0	109.8	Q566 R582 K585 W614	Q566-D580 HydrophobicContact CG-CB 4.16Å; Q566-D580 WeakPolarHBondContact CG-OD2 3.46Å; Q566-D580 PolarHBondContact NE2-OD2 2.93Å; D580-R582 PolarHBondContact O-N 3.28Å; D580-R582 VanDerWaalsContact OD1-CB 3.24Å; D580-R582 WeakPolarHBondContact OD1-CB 3.33Å; D580-R582 WeakPolarHBondContact OD1-CG 3.34Å; D580-R582 IonicContact OD1-CZ 2.99Å; D580-R582 PolarHBondContact OD1-N 3.25Å; D580-R582 IonicContact OD1-NE 3.52Å; D580-R582 PolarHBondContact OD1-NE 3.06Å; D580-R582 IonicContact OD1-NH2 2.68Å; D580-R582 IonicContact OD2-CZ 2.75Å; D580-R582 IonicContact OD2-NE 2.67Å; D580-R582 IonicContact OD2-NH2 2.78Å; D580-R582 PolarHBondContact OD2-NH2 3.3Å; D580-K585 HydrophobicContact CB-CB 4.14Å; D580-W614 PolarHBondContact O-NE1 2.91Å
581	I	93.3	Very high	83	Confident	13 Å²	13	36.6 Å²	36.6	7%	0.067	19%	0.193	C	C	.	.			trans	-81.1	-0.3	-177.1	73	-177.5	0	0	0	112.9	Y471 L483 W543 V565 F607 L610 W614	Y471-I581 HydrophobicContact CD2-CD1 4.39Å; L483-I581 HydrophobicContact CD1-CG2 4.14Å; L483-I581 HydrophobicContact CD2-CG2 4.46Å; W543-I581 HydrophobicContact CH2-CD1 4.42Å; W543-I581 HydrophobicContact CH2-CG2 3.93Å; W543-I581 HydrophobicContact CZ3-CD1 4.25Å; W543-I581 HydrophobicContact CZ3-CG2 3.95Å; V565-I581 HydrophobicContact CB-CD1 4.41Å; V565-I581 HydrophobicContact CB-CG1 4.18Å; V565-I581 HydrophobicContact CG1-CD1 4.43Å; V565-I581 WeakPolarHBondContact O-CG1 3.24Å; V565-I581 PolarHBondContact O-N 2.82Å; I581-F607 HydrophobicContact CB-CE1 4.13Å; I581-F607 HydrophobicContact CD1-CE1 4.26Å; I581-F607 HydrophobicContact CG1-CE1 4.41Å; I581-L610 HydrophobicContact CB-CD1 4.5Å; I581-L610 WeakPolarHBondContact O-CD1 3.45Å; I581-W614 HydrophobicContact CG2-CZ2 4.1Å
582	R	90.5	Very high	81.1	Confident	42 Å²	42	46.6 Å²	46.6	16%	0.158	24%	0.236	C	C	.	.			trans	-91.6	123.2	179.8	-62.8	173.7	-67.7	-176.4	4.3	110.8	E549 V565 D580 E584 K585	E549-R582 IonicContact OE1-CZ 3.51Å; E549-R582 IonicContact OE1-NH1 3.25Å; E549-R582 IonicContact OE1-NH2 3.19Å; E549-R582 PolarHBondContact OE1-NH2 3.36Å; E549-R582 IonicContact OE2-CZ 3.29Å; E549-R582 IonicContact OE2-NH1 3.62Å; E549-R582 PolarHBondContact OE2-NH1 3.49Å; E549-R582 IonicContact OE2-NH2 2.8Å; E549-R582 PolarHBondContact OE2-NH2 3.29Å; V565-R582 HydrophobicContact CB-CG 4.41Å; D580-R582 PolarHBondContact O-N 3.28Å; D580-R582 VanDerWaalsContact OD1-CB 3.24Å; D580-R582 WeakPolarHBondContact OD1-CB 3.33Å; D580-R582 WeakPolarHBondContact OD1-CG 3.34Å; D580-R582 IonicContact OD1-CZ 2.99Å; D580-R582 PolarHBondContact OD1-N 3.25Å; D580-R582 IonicContact OD1-NE 3.52Å; D580-R582 PolarHBondContact OD1-NE 3.06Å; D580-R582 IonicContact OD1-NH2 2.68Å; D580-R582 IonicContact OD2-CZ 2.75Å; D580-R582 IonicContact OD2-NE 2.67Å; D580-R582 IonicContact OD2-NH2 2.78Å; D580-R582 PolarHBondContact OD2-NH2 3.3Å; R582-E584 VanDerWaalsContact C-N 3.29Å; R582-E584 VanDerWaalsContact CB-OE1 3.29Å; R582-E584 WeakPolarHBondContact CB-OE1 3.19Å; R582-E584 WeakPolarHBondContact CD-OE1 3.18Å; R582-E584 PolarHBondContact O-N 2.84Å; R582-K585 HydrophobicContact CB-CG 4.24Å; R582-K585 PolarHBondContact O-N 3.42Å; R582-K585 VanDerWaalsContact O-N 3.1Å
583	P	83.6	Confident	79.2	Confident	50 Å²	50	49.9 Å²	49.9	33%	0.325	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-62	-33.3	-173.4	24.6	-33.6	0	0	0	113.3	K585 T586 A589 A609 L610	P583-K585 PolarHBondContact O-N 2.84Å; P583-T586 PolarHBondContact O-N 3.49Å; P583-T586 PolarHBondContact O-OG1 3.29Å; P583-A589 HydrophobicContact CB-CB 4.07Å; P583-A609 HydrophobicContact CB-CB 3.82Å; P583-A609 HydrophobicContact CG-CB 4.42Å; P583-L610 HydrophobicContact CB-CD2 4.25Å
584	E	82.8	Confident	77.5	Confident	110 Å²	110	52.3 Å²	52.3	51%	0.514	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-65.1	-22.6	178.7	70.5	-80	-174.4	0	0	113.8	R582 T586	R582-E584 VanDerWaalsContact C-N 3.29Å; R582-E584 VanDerWaalsContact CB-OE1 3.29Å; R582-E584 WeakPolarHBondContact CB-OE1 3.19Å; R582-E584 WeakPolarHBondContact CD-OE1 3.18Å; R582-E584 PolarHBondContact O-N 2.84Å; E584-T586 VanDerWaalsContact C-N 3.33Å
585	K	82.9	Confident	75.3	Confident	76 Å²	76	59 Å²	59	33%	0.33	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-83.8	-13.9	176.5	-62.8	-69	-175.9	153.5	0	112.2	E549 R552 D580 R582 P583	E549-K585 IonicContact OE1-NZ 3.47Å; E549-K585 PolarHBondContact OE1-NZ 2.59Å; R552-K585 PolarHBondContact NH2-O 2.84Å; D580-K585 HydrophobicContact CB-CB 4.14Å; R582-K585 HydrophobicContact CB-CG 4.24Å; R582-K585 PolarHBondContact O-N 3.42Å; R582-K585 VanDerWaalsContact O-N 3.1Å; P583-K585 PolarHBondContact O-N 2.84Å
586	T	73.9	Confident	73.6	Confident	3 Å²	3	63.9 Å²	63.9	2%	0.018	35%	0.35	C	S	.	.	S	Bend	trans	-97.5	116.4	-178.6	62.5	0	0	0	0	111.1	P583 E584 L588 A589 L610	P583-T586 PolarHBondContact O-N 3.49Å; P583-T586 PolarHBondContact O-OG1 3.29Å; E584-T586 VanDerWaalsContact C-N 3.33Å; T586-L588 VanDerWaalsContact C-N 3.26Å; T586-L588 PolarHBondContact O-N 2.97Å; T586-L588 VanDerWaalsContact O-N 3.12Å; T586-A589 PolarHBondContact O-N 2.88Å; T586-A589 WeakPolarHBondContact OG1-CB 3.35Å; T586-L610 HydrophobicContact CG2-CD2 3.75Å
587	P	64.2	Low	71.8	Confident	84 Å²	84	72.2 Å²	72.2	55%	0.545	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-32.4	-170.6	-25.5	32	0	0	0	115.5
588	L	64.4	Low	70.2	Confident	71 Å²	71	81.5 Å²	81.5	37%	0.372	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-16	-175.4	-70.9	174.7	0	0	0	114.6	T586 I590 K613 K615	T586-L588 VanDerWaalsContact C-N 3.26Å; T586-L588 PolarHBondContact O-N 2.97Å; T586-L588 VanDerWaalsContact O-N 3.12Å; L588-I590 PolarHBondContact O-N 2.88Å; L588-K613 HydrophobicContact CB-CB 4.25Å; L588-K615 HydrophobicContact CD1-CD 3.82Å; L588-K615 HydrophobicContact CD1-CG 4.35Å
589	A	57.9	Low	68.5	Low	15 Å²	15	85 Å²	85	12%	0.124	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-24.9	179.7	0	0	0	0	0	111.7	P583 T586 N591 A609	P583-A589 HydrophobicContact CB-CB 4.07Å; T586-A589 PolarHBondContact O-N 2.88Å; T586-A589 WeakPolarHBondContact OG1-CB 3.35Å; A589-N591 PolarHBondContact O-N 3.36Å; A589-A609 VanDerWaalsContact CB-O 3.31Å; A589-A609 WeakPolarHBondContact CB-O 3.49Å
590	I	55.8	Low	67.1	Low	110 Å²	110	89.3 Å²	89.3	56%	0.564	48%	0.484	S	S	*	.			trans	-81.4	69.7	177.7	-44.9	171.7	0	0	0	109.6	L588	L588-I590 PolarHBondContact O-N 2.88Å
591	N	54.3	Low	65.9	Low	90 Å²	90	96.3 Å²	96.3	48%	0.481	52%	0.52	S	S	.	.			trans	-102.9	127.6	166.3	-91.6	-19.7	0	0	0	110.2	A589 T593	A589-N591 PolarHBondContact O-N 3.36Å; N591-T593 PolarHBondContact O-N 2.99Å
592	K	52.9	Low	64.8	Low	211 Å²	211	101.3 Å²	101.3	92%	0.917	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	3.8	172.9	-70.5	-177.1	177	178.7	0	113.6
593	T	53.3	Low	64.3	Low	112 Å²	112	100.7 Å²	100.7	69%	0.687	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.3	20.9	-169.3	53.2	0	0	0	0	114.5	N591 D595	N591-T593 PolarHBondContact O-N 2.99Å; T593-D595 PolarHBondContact O-N 3.28Å
594	S	52.8	Low	64.3	Low	91 Å²	91	98.5 Å²	98.5	64%	0.636	53%	0.534	S	S	*	.			trans	-83.2	66.7	168.9	69.2	0	0	0	0	111.3
595	D	46.1	Very low	64.3	Low	141 Å²	141	98 Å²	98	75%	0.754	53%	0.534	S	S	*	.			trans	-82.5	133.9	159.4	-76.6	-37	0	0	0	108.3	T593	T593-D595 PolarHBondContact O-N 3.28Å
596	S	56.8	Low	64.4	Low	118 Å²	118	97.5 Å²	97.5	83%	0.825	54%	0.537	S	S	*	.			trans	100.1	-1.4	150.7	-37.7	0	0	0	0	122.2	K598	S596-K598 PolarHBondContact O-N 2.95Å
597	L	59.5	Low	65	Low	174 Å²	174	98 Å²	98	91%	0.911	54%	0.539	S	S	*	.			trans	-83	111.1	169.7	-82.8	157.4	0	0	0	110
598	K	62	Low	66	Low	196 Å²	196	97 Å²	97	85%	0.852	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-61.9	125.6	170.1	-81.2	-175	178.6	178.4	0	108.3	S596	S596-K598 PolarHBondContact O-N 2.95Å
599	P	61.5	Low	66.9	Low	76 Å²	76	95.9 Å²	95.9	49%	0.494	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-61.5	140.3	178.8	22.6	-31.3	0	0	0	110.5	L605	P599-L605 HydrophobicContact CB-CD1 4.22Å; P599-L605 HydrophobicContact CB-CD2 3.45Å; P599-L605 VanDerWaalsContact CB-CD2 3.45Å; P599-L605 HydrophobicContact CB-CG 4.43Å; P599-L605 HydrophobicContact CG-CD1 4.22Å; P599-L605 HydrophobicContact CG-CD2 4.33Å
600	P	67.2	Low	68.3	Low	89 Å²	89	95.2 Å²	95.2	58%	0.578	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-59	141.2	173.6	20.5	-28.5	0	0	0	111.1	V603	P600-V603 HydrophobicContact CB-CB 4.47Å; P600-V603 HydrophobicContact CB-CG2 3.85Å; P600-V603 HydrophobicContact CG-CB 3.91Å; P600-V603 HydrophobicContact CG-CG1 4.44Å; P600-V603 HydrophobicContact CG-CG2 3.61Å; P600-V603 PolarHBondContact O-N 2.68Å
601	I	67.4	Low	69.9	Low	151 Å²	151	92.6 Å²	92.6	77%	0.774	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	139.8	178.6	-58.2	170.8	0	0	0	108.7	V603	I601-V603 VanDerWaalsContact C-N 3.26Å; I601-V603 PolarHBondContact O-N 2.82Å
602	N	71.4	Confident	71.4	Confident	118 Å²	118	93 Å²	93	63%	0.631	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	1.6	179.9	-58.8	-29.5	0	0	0	117.4	Y523	Y523-N602 HydrophobicContact CD2-CB 4.49Å
603	V	80.7	Confident	73.1	Confident	28 Å²	28	85.9 Å²	85.9	17%	0.17	49%	0.487	C	S	.	.			trans	-85.7	129.5	173.3	179.3	0	0	0	0	110.4	Y523 Y524 P600 I601	Y523-V603 HydrophobicContact CG-CG2 4.43Å; Y524-V603 VanDerWaalsContact O-CG1 3.29Å; Y524-V603 WeakPolarHBondContact O-CG1 3.3Å; P600-V603 HydrophobicContact CB-CB 4.47Å; P600-V603 HydrophobicContact CB-CG2 3.85Å; P600-V603 HydrophobicContact CG-CB 3.91Å; P600-V603 HydrophobicContact CG-CG1 4.44Å; P600-V603 HydrophobicContact CG-CG2 3.61Å; P600-V603 PolarHBondContact O-N 2.68Å; I601-V603 VanDerWaalsContact C-N 3.26Å; I601-V603 PolarHBondContact O-N 2.82Å
604	P	82.8	Confident	75	Confident	5 Å²	5	80.5 Å²	80.5	3%	0.032	46%	0.455	C	S	.	.			trans	-62.7	131.8	171.4	-21	32.7	0	0	0	111.9	D485 S525 T606	D485-P604 HydrophobicContact CB-CB 3.83Å; D485-P604 HydrophobicContact CB-CG 4.17Å; D485-P604 WeakPolarHBondContact O-CG 3.33Å; S525-P604 WeakPolarHBondContact CB-O 3.43Å; S525-P604 PolarHBondContact OG-O 3.32Å; P604-T606 VanDerWaalsContact C-N 3.32Å
605	L	82.4	Confident	76.9	Confident	99 Å²	99	79.3 Å²	79.3	52%	0.518	44%	0.438	S	S	.	.			trans	-89.1	2.2	-177.4	-60.5	178.3	0	0	0	114.1	P599 F607 S608	P599-L605 HydrophobicContact CB-CD1 4.22Å; P599-L605 HydrophobicContact CB-CD2 3.45Å; P599-L605 VanDerWaalsContact CB-CD2 3.45Å; P599-L605 HydrophobicContact CB-CG 4.43Å; P599-L605 HydrophobicContact CG-CD1 4.22Å; P599-L605 HydrophobicContact CG-CD2 4.33Å; L605-F607 VanDerWaalsContact C-N 3.25Å; L605-F607 PolarHBondContact O-N 3.25Å; L605-S608 WeakPolarHBondContact O-CB 3.4Å; L605-S608 PolarHBondContact O-N 2.93Å; L605-S608 VanDerWaalsContact O-N 3.08Å
606	T	84.5	Confident	79.2	Confident	65 Å²	65	73.8 Å²	73.8	40%	0.399	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-39.6	-173.7	-48.4	0	0	0	0	112.8	Y471 D485 P604	Y471-T606 HydrophobicContact CE1-CG2 3.91Å; Y471-T606 WeakPolarHBondContact OH-CG2 3.11Å; D485-T606 VanDerWaalsContact OD2-CB 3.31Å; D485-T606 WeakPolarHBondContact OD2-CB 3.27Å; D485-T606 PolarHBondContact OD2-OG1 2.71Å; P604-T606 VanDerWaalsContact C-N 3.32Å
607	F	88	Confident	80.8	Confident	13 Å²	13	69.4 Å²	69.4	6%	0.057	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	18.5	178.8	-57.7	-68.8	0	0	0	113.6	Y471 L483 S525 A526 I581 L605 A609 L610 D611	Y471-F607 AromaticContact CD1-CE2 3.86Å; Y471-F607 HydrophobicContact CD1-CE2 3.86Å; Y471-F607 AromaticContact CD1-CZ 3.87Å; Y471-F607 HydrophobicContact CD1-CZ 3.87Å; Y471-F607 HydrophobicContact CD2-CE2 4.47Å; Y471-F607 AromaticContact CD2-CZ 3.7Å; Y471-F607 HydrophobicContact CD2-CZ 3.7Å; Y471-F607 HydrophobicContact CE1-CE2 4.04Å; Y471-F607 AromaticContact CE1-CZ 3.91Å; Y471-F607 HydrophobicContact CE1-CZ 3.91Å; Y471-F607 HydrophobicContact CE2-CE1 4.42Å; Y471-F607 AromaticContact CE2-CZ 3.68Å; Y471-F607 HydrophobicContact CE2-CZ 3.68Å; Y471-F607 HydrophobicContact CG-CE2 4.11Å; Y471-F607 AromaticContact CG-CZ 3.78Å; Y471-F607 HydrophobicContact CG-CZ 3.78Å; Y471-F607 AromaticContact CZ-CZ 3.8Å; L483-F607 HydrophobicContact CB-CD2 4.1Å; L483-F607 HydrophobicContact CB-CE2 4.47Å; L483-F607 HydrophobicContact CD1-CB 4.47Å; L483-F607 HydrophobicContact CD1-CD1 4.13Å; L483-F607 HydrophobicContact CD1-CD2 4.27Å; L483-F607 HydrophobicContact CD1-CE1 4.45Å; L483-F607 HydrophobicContact CD1-CG 4.03Å; S525-F607 PolarHBondContact OG-N 2.98Å; A526-F607 HydrophobicContact CB-CB 3.57Å; A526-F607 WeakPolarHBondContact CB-O 3.38Å; I581-F607 HydrophobicContact CB-CE1 4.13Å; I581-F607 HydrophobicContact CD1-CE1 4.26Å; I581-F607 HydrophobicContact CG1-CE1 4.41Å; L605-F607 VanDerWaalsContact C-N 3.25Å; L605-F607 PolarHBondContact O-N 3.25Å; F607-A609 PolarHBondContact O-N 3.17Å; F607-L610 HydrophobicContact CB-CD1 4.36Å; F607-L610 HydrophobicContact CD1-CD1 4.05Å; F607-L610 WeakPolarHBondContact O-CB 3.27Å; F607-L610 PolarHBondContact O-N 3.26Å; F607-D611 PolarHBondContact O-N 3.07Å
608	S	84.4	Confident	82.4	Confident	65 Å²	65	61.6 Å²	61.6	46%	0.455	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-27.5	-174.3	178	0	0	0	0	114.1	L605 L610	L605-S608 WeakPolarHBondContact O-CB 3.4Å; L605-S608 PolarHBondContact O-N 2.93Å; L605-S608 VanDerWaalsContact O-N 3.08Å; S608-L610 VanDerWaalsContact C-N 3.3Å; S608-L610 PolarHBondContact O-N 2.88Å
609	A	84.5	Confident	83.9	Confident	46 Å²	46	56.6 Å²	56.6	38%	0.38	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-26.2	175.9	0	0	0	0	0	113.7	P583 A589 F607	P583-A609 HydrophobicContact CB-CB 3.82Å; P583-A609 HydrophobicContact CG-CB 4.42Å; A589-A609 VanDerWaalsContact CB-O 3.31Å; A589-A609 WeakPolarHBondContact CB-O 3.49Å; F607-A609 PolarHBondContact O-N 3.17Å
610	L	86.9	Confident	85.5	Confident	2 Å²	2	53 Å²	53	1%	0.01	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-25.4	179.8	-67.7	-174	0	0	0	112.9	L483 A526 I581 P583 T586 F607 S608 L612 K613 W614	L483-L610 HydrophobicContact CD1-CD1 4.14Å; A526-L610 HydrophobicContact CB-CB 4.14Å; I581-L610 HydrophobicContact CB-CD1 4.5Å; I581-L610 WeakPolarHBondContact O-CD1 3.45Å; P583-L610 HydrophobicContact CB-CD2 4.25Å; T586-L610 HydrophobicContact CG2-CD2 3.75Å; F607-L610 HydrophobicContact CB-CD1 4.36Å; F607-L610 HydrophobicContact CD1-CD1 4.05Å; F607-L610 WeakPolarHBondContact O-CB 3.27Å; F607-L610 PolarHBondContact O-N 3.26Å; S608-L610 VanDerWaalsContact C-N 3.3Å; S608-L610 PolarHBondContact O-N 2.88Å; L610-L612 PolarHBondContact O-N 3.43Å; L610-K613 CarbonylContact O-C 3.55Å; L610-K613 PolarHBondContact O-N 2.7Å; L610-W614 HydrophobicContact CB-CB 4.1Å; L610-W614 HydrophobicContact CB-CG 4.49Å; L610-W614 HydrophobicContact CD1-CD2 4.48Å; L610-W614 HydrophobicContact CD1-CG 4.48Å; L610-W614 HydrophobicContact CD2-CB 4.43Å; L610-W614 HydrophobicContact CD2-CG 4.39Å; L610-W614 WeakPolarHBondContact O-CB 3.39Å; L610-W614 PolarHBondContact O-N 2.99Å
611	D	88.1	Confident	86.7	Confident	55 Å²	55	51 Å²	51	29%	0.294	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	125.2	-170.9	-169.9	43.3	0	0	0	112.3	A526 L527 F607 K613	A526-D611 WeakPolarHBondContact CA-OD1 3.38Å; A526-D611 HydrophobicContact CB-CB 4.11Å; L527-D611 PolarHBondContact N-OD1 3.46Å; F607-D611 PolarHBondContact O-N 3.07Å; D611-K613 PolarHBondContact O-N 3.39Å
612	L	87.4	Confident	87.8	Confident	99 Å²	99	43.8 Å²	43.8	52%	0.518	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	0.9	-175.2	-55	174.4	0	0	0	115.7	L527 N529 L610	L527-L612 HydrophobicContact CB-CD2 4.26Å; L527-L612 PolarHBondContact O-N 3.21Å; N529-L612 WeakPolarHBondContact CB-O 3.39Å; N529-L612 PolarHBondContact ND2-O 3.38Å; L610-L612 PolarHBondContact O-N 3.43Å
613	K	88.2	Confident	88.4	Confident	60 Å²	60	41.2 Å²	41.2	26%	0.261	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-11.9	-176.6	-65.2	171.6	-172.3	167.7	0	113.2	L588 L610 D611 K615	L588-K613 HydrophobicContact CB-CB 4.25Å; L610-K613 CarbonylContact O-C 3.55Å; L610-K613 PolarHBondContact O-N 2.7Å; D611-K613 PolarHBondContact O-N 3.39Å; K613-K615 PolarHBondContact O-N 3.37Å
614	W	92.6	Very high	88.4	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-69.4	121.2	-177.5	-174.6	29.8	0	0	0	110.9	V481 L483 N529 L567 W579 D580 I581 L610	V481-W614 HydrophobicContact CB-CE3 4.41Å; V481-W614 HydrophobicContact CB-CH2 4.33Å; V481-W614 HydrophobicContact CB-CZ3 3.79Å; V481-W614 HydrophobicContact CG1-CH2 3.73Å; V481-W614 HydrophobicContact CG1-CZ3 3.55Å; L483-W614 HydrophobicContact CD1-CE3 4.26Å; L483-W614 HydrophobicContact CD1-CH2 3.65Å; L483-W614 HydrophobicContact CD1-CZ2 4.26Å; L483-W614 HydrophobicContact CD1-CZ3 3.66Å; L483-W614 HydrophobicContact CD2-CH2 4.03Å; L483-W614 HydrophobicContact CD2-CZ3 4.36Å; L483-W614 HydrophobicContact CG-CH2 3.79Å; L483-W614 HydrophobicContact CG-CZ3 3.66Å; N529-W614 WeakPolarHBondContact CB-O 3.28Å; N529-W614 PolarHBondContact N-O 3.1Å; L567-W614 HydrophobicContact CD2-CH2 4.07Å; L567-W614 HydrophobicContact CD2-CZ2 4.41Å; W579-W614 HydrophobicContact CB-CH2 4.33Å; W579-W614 HydrophobicContact CB-CZ2 3.52Å; W579-W614 AromaticContact CE3-CD2 3.94Å; W579-W614 HydrophobicContact CE3-CD2 3.94Å; W579-W614 AromaticContact CE3-CE2 3.85Å; W579-W614 HydrophobicContact CE3-CG 4.16Å; W579-W614 HydrophobicContact CE3-CZ2 4.38Å; W579-W614 AromaticContact CE3-NE1 3.94Å; W579-W614 HydrophobicContact CG-CZ2 4.26Å; W579-W614 HydrophobicContact CZ3-CD2 4.46Å; W579-W614 HydrophobicContact CZ3-CG 4.46Å; D580-W614 PolarHBondContact O-NE1 2.91Å; I581-W614 HydrophobicContact CG2-CZ2 4.1Å; L610-W614 HydrophobicContact CB-CB 4.1Å; L610-W614 HydrophobicContact CB-CG 4.49Å; L610-W614 HydrophobicContact CD1-CD2 4.48Å; L610-W614 HydrophobicContact CD1-CG 4.48Å; L610-W614 HydrophobicContact CD2-CB 4.43Å; L610-W614 HydrophobicContact CD2-CG 4.39Å; L610-W614 WeakPolarHBondContact O-CB 3.39Å; L610-W614 PolarHBondContact O-N 2.99Å
615	K	92.5	Very high	87.9	Confident	66 Å²	66	47.7 Å²	47.7	29%	0.287	25%	0.251	S	S	.	.			trans	-121.5	151.1	179.6	-68.2	-162.8	169.1	-163.6	0	109.9	N529 S532 L588 K613	N529-K615 HydrophobicContact CB-CG 4.22Å; S532-K615 WeakPolarHBondContact OG-CD 3.44Å; S532-K615 WeakPolarHBondContact OG-CE 3.2Å; S532-K615 PolarHBondContact OG-NZ 2.78Å; L588-K615 HydrophobicContact CD1-CD 3.82Å; L588-K615 HydrophobicContact CD1-CG 4.35Å; K613-K615 PolarHBondContact O-N 3.37Å
616	P	94	Very high	87.3	Confident	24 Å²	24	46.2 Å²	46.2	16%	0.156	24%	0.243	C	C	.	.			trans	-66.1	147.4	178.1	29.2	-35.6	0	0	0	111.3	S532 L577 L578 W579 R619	S532-P616 WeakPolarHBondContact O-CD 3.47Å; L577-P616 HydrophobicContact CB-CB 4.03Å; L577-P616 HydrophobicContact CD1-CB 4.43Å; L577-P616 HydrophobicContact CD1-CG 4.23Å; L577-P616 HydrophobicContact CD2-CB 4.33Å; L577-P616 HydrophobicContact CD2-CG 4.31Å; L577-P616 HydrophobicContact CG-CB 4.5Å; L578-P616 CarbonylContact O-C 3.59Å; L578-P616 WeakPolarHBondContact O-CA 3.5Å; L578-P616 WeakPolarHBondContact O-CB 3.26Å; W579-P616 HydrophobicContact CD2-CB 4.16Å; W579-P616 HydrophobicContact CE3-CB 4.21Å; W579-P616 HydrophobicContact CH2-CB 4.35Å; W579-P616 HydrophobicContact CH2-CG 4.34Å; W579-P616 HydrophobicContact CZ2-CB 4.29Å; W579-P616 HydrophobicContact CZ3-CB 4.31Å; W579-P616 HydrophobicContact CZ3-CG 4.47Å; P616-R619 HydrophobicContact CG-CG 4.42Å
617	L	91.9	Very high	86.3	Confident	26 Å²	26	49.5 Å²	49.5	14%	0.136	27%	0.266	C	S	.	.	S	Bend	trans	-79	-38.2	178.1	-169.4	72.2	0	0	0	112.1	I550 R552 L578	I550-L617 VanDerWaalsContact O-CD2 3.26Å; I550-L617 WeakPolarHBondContact O-CD2 3.42Å; R552-L617 HydrophobicContact CG-CD1 3.32Å; R552-L617 HydrophobicContact CG-CG 3.67Å; L578-L617 HydrophobicContact CD2-CB 4.34Å; L578-L617 HydrophobicContact CD2-CD2 3.97Å; L578-L617 HydrophobicContact CG-CB 4.43Å; L578-L617 PolarHBondContact O-N 3Å
618	L	92.7	Very high	85.2	Confident	11 Å²	11	55.1 Å²	55.1	6%	0.058	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	143.2	-179.8	177.7	66.5	0	0	0	108.7	L578 I620 P692	L578-L618 HydrophobicContact CB-CB 3.96Å; L578-L618 HydrophobicContact CD2-CB 4.11Å; L578-L618 PolarHBondContact N-O 3.47Å; L618-I620 HydrophobicContact CD2-CD1 4.35Å; L618-I620 HydrophobicContact CD2-CG1 4.14Å; L618-I620 HydrophobicContact CG-CG1 4.17Å; L618-P692 HydrophobicContact CD1-CG 3.71Å
619	R	93.3	Very high	84.5	Confident	90 Å²	90	56 Å²	56	34%	0.34	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	127.1	174.6	-52.7	-173.9	70.9	89.1	-11.2	108.8	S532 E575 L577 P616	S532-R619 PolarHBondContact O-NH1 3.2Å; E575-R619 IonicContact OE1-CZ 2.74Å; E575-R619 IonicContact OE1-NE 3.53Å; E575-R619 PolarHBondContact OE1-NE 3.45Å; E575-R619 IonicContact OE1-NH2 3.7Å; E575-R619 PolarHBondContact OE1-NH2 3.47Å; E575-R619 IonicContact OE2-CZ 2.73Å; E575-R619 IonicContact OE2-NH2 3.18Å; E575-R619 PolarHBondContact OE2-NH2 3.41Å; L577-R619 HydrophobicContact CD2-CB 3.83Å; L577-R619 HydrophobicContact CD2-CG 3.71Å; P616-R619 HydrophobicContact CG-CG 4.42Å
620	I	94.6	Very high	84.4	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.005	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	110	-178.4	-55.2	159.1	0	0	0	107.3	M568 E575 I576 L618 I676 W690 T703	M568-I620 HydrophobicContact CE-CD1 3.9Å; E575-I620 CarbonylContact C-O 3.5Å; E575-I620 VanDerWaalsContact CA-O 3.32Å; E575-I620 WeakPolarHBondContact CA-O 3.43Å; I576-I620 HydrophobicContact CB-CB 4.12Å; I576-I620 HydrophobicContact CB-CD1 4.33Å; I576-I620 HydrophobicContact CG2-CD1 4.23Å; I576-I620 PolarHBondContact N-O 2.96Å; I576-I620 WeakPolarHBondContact O-CA 3.3Å; I576-I620 VanDerWaalsContact O-CB 3.28Å; I576-I620 WeakPolarHBondContact O-CB 3.33Å; I576-I620 PolarHBondContact O-N 3.11Å; L618-I620 HydrophobicContact CD2-CD1 4.35Å; L618-I620 HydrophobicContact CD2-CG1 4.14Å; L618-I620 HydrophobicContact CG-CG1 4.17Å; I620-I676 HydrophobicContact CD1-CD1 3.86Å; I620-W690 HydrophobicContact CD1-CB 3.5Å; I620-W690 VanDerWaalsContact CD1-CB 3.5Å; I620-W690 HydrophobicContact CD1-CG 4.38Å; I620-W690 HydrophobicContact CG1-CB 3.86Å; I620-W690 HydrophobicContact CG2-CB 4.37Å; I620-T703 HydrophobicContact CB-CG2 4.22Å; I620-T703 HydrophobicContact CG2-CG2 4.04Å
621	H	92.3	Very high	84.4	Confident	47 Å²	47	58.7 Å²	58.7	22%	0.218	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	132.3	179.2	-73.6	-90.4	0	0	0	110.6	E575 Y623 T703	E575-H621 WeakPolarHBondContact CG-ND1 3.28Å; E575-H621 IonicContact OE1-CE1 2.71Å; E575-H621 PolarHBondContact OE1-CE1 2.85Å; E575-H621 IonicContact OE1-ND1 2.97Å; E575-H621 IonicContact OE1-NE2 3.49Å; E575-H621 PolarHBondContact OE1-NE2 2.96Å; H621-Y623 HydrophobicContact CB-CD1 4.39Å; H621-Y623 HydrophobicContact CB-CD2 4.24Å; H621-Y623 HydrophobicContact CB-CE1 3.85Å; H621-Y623 HydrophobicContact CB-CE2 3.69Å; H621-Y623 VanDerWaalsContact CB-CZ 3.46Å; H621-Y623 PolarHBondContact O-N 2.9Å; H621-T703 PolarHBondContact N-OG1 3.16Å; H621-T703 VanDerWaalsContact N-OG1 3.13Å; H621-T703 PolarHBondContact O-OG1 3.01Å
622	L	91.3	Very high	84.6	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.301	C	S	.	.			trans	-95.2	75.3	177.7	-56.5	-173.5	0	0	0	110.5	G574 I576 H631 P633 A678 I686 V688	G574-L622 PolarHBondContact O-N 3.38Å; I576-L622 HydrophobicContact CD1-CD1 4.32Å; L622-H631 HydrophobicContact CB-CB 3.99Å; L622-H631 PolarHBondContact O-N 3.36Å; L622-H631 VanDerWaalsContact O-N 3.12Å; L622-P633 HydrophobicContact CD1-CB 3.79Å; L622-P633 HydrophobicContact CD1-CG 3.85Å; L622-A678 HydrophobicContact CD1-CB 3.91Å; L622-I686 HydrophobicContact CD1-CD1 4.43Å; L622-V688 HydrophobicContact CD2-CG1 3.62Å
623	Y	84.4	Confident	85	Confident	64 Å²	64	52.2 Å²	52.2	25%	0.251	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-62.8	143.5	-179.8	-60.1	-66.3	0	0	0	112.1	H621 T703 P706	H621-Y623 HydrophobicContact CB-CD1 4.39Å; H621-Y623 HydrophobicContact CB-CD2 4.24Å; H621-Y623 HydrophobicContact CB-CE1 3.85Å; H621-Y623 HydrophobicContact CB-CE2 3.69Å; H621-Y623 VanDerWaalsContact CB-CZ 3.46Å; H621-Y623 PolarHBondContact O-N 2.9Å; Y623-T703 WeakPolarHBondContact CE2-O 3.41Å; Y623-T703 VanDerWaalsContact CE2-OG1 3.27Å; Y623-T703 WeakPolarHBondContact CE2-OG1 3.25Å; Y623-P706 WeakPolarHBondContact O-CD 3.39Å
624	T	79.7	Confident	85.3	Confident	26 Å²	26	50.7 Å²	50.7	16%	0.16	27%	0.27	C	S	.	.			trans	-100.7	177.6	165.4	83.7	0	0	0	0	110.6	D626 N629 H631	T624-D626 VanDerWaalsContact C-N 3.26Å; T624-D626 WeakPolarHBondContact OG1-CA 3.16Å; T624-D626 PolarHBondContact OG1-N 3.13Å; T624-D626 PolarHBondContact OG1-O 2.93Å; T624-N629 VanDerWaalsContact CB-O 3.32Å; T624-N629 WeakPolarHBondContact CB-O 3.32Å; T624-N629 WeakPolarHBondContact CG2-O 3.49Å; T624-N629 PolarHBondContact OG1-O 2.95Å; T624-H631 HydrophobicContact CG2-CB 4.34Å; T624-H631 VanDerWaalsContact CG2-CD2 3.42Å; T624-H631 WeakPolarHBondContact CG2-CD2 3.39Å
625	N	72.1	Confident	85.6	Confident	143 Å²	143	52.1 Å²	52.1	77%	0.765	28%	0.277	S	S	*	.	S	Bend	trans	-75.1	-18.4	168.6	-69.5	-24.1	0	0	0	112.7
626	D	70.9	Confident	85.8	Confident	67 Å²	67	49 Å²	49	36%	0.358	26%	0.263	S	S	.	.	S	Bend	trans	-90.1	120.6	179.2	-67.9	-36.7	0	0	0	109.3	R306 T624 V628 N629	R306-D626 IonicContact NH2-OD2 2.78Å; R306-D626 PolarHBondContact NH2-OD2 3.3Å; T624-D626 VanDerWaalsContact C-N 3.26Å; T624-D626 WeakPolarHBondContact OG1-CA 3.16Å; T624-D626 PolarHBondContact OG1-N 3.13Å; T624-D626 PolarHBondContact OG1-O 2.93Å; D626-V628 PolarHBondContact O-N 2.76Å; D626-N629 PolarHBondContact O-N 3.42Å; D626-N629 VanDerWaalsContact O-O 3.07Å
627	P	62.9	Low	85.9	Confident	134 Å²	134	48.1 Å²	48.1	87%	0.87	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-11.8	-175.2	26.3	-34.7	0	0	0	114.3
628	V	64.8	Low	86.1	Confident	131 Å²	131	47.4 Å²	47.4	79%	0.794	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-28.2	-177.3	-177.6	0	0	0	0	111.9	D626	D626-V628 PolarHBondContact O-N 2.76Å
629	N	69.6	Low	86.1	Confident	85 Å²	85	50.8 Å²	50.8	46%	0.455	27%	0.266	S	S	.	.			trans	-120.7	131.7	-170.5	-73.6	-5.1	0	0	0	110.2	T624 D626	T624-N629 VanDerWaalsContact CB-O 3.32Å; T624-N629 WeakPolarHBondContact CB-O 3.32Å; T624-N629 WeakPolarHBondContact CG2-O 3.49Å; T624-N629 PolarHBondContact OG1-O 2.95Å; D626-N629 PolarHBondContact O-N 3.42Å; D626-N629 VanDerWaalsContact O-O 3.07Å
630	D	82	Confident	85.9	Confident	81 Å²	81	47.4 Å²	47.4	43%	0.433	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-100.9	157.9	165.6	-70.2	-33.4	0	0	0	109.8	A632	D630-A632 PolarHBondContact O-N 3.35Å
631	H	86.2	Confident	85.6	Confident	23 Å²	23	51.2 Å²	51.2	11%	0.106	27%	0.272	C	S	.	.			trans	-74.8	119.6	174.8	-76.3	-62.9	0	0	0	109.6	G574 L622 T624 P633 T680 I686 C709	G574-H631 VanDerWaalsContact CA-O 3.25Å; G574-H631 WeakPolarHBondContact CA-O 3.31Å; L622-H631 HydrophobicContact CB-CB 3.99Å; L622-H631 PolarHBondContact O-N 3.36Å; L622-H631 VanDerWaalsContact O-N 3.12Å; T624-H631 HydrophobicContact CG2-CB 4.34Å; T624-H631 VanDerWaalsContact CG2-CD2 3.42Å; T624-H631 WeakPolarHBondContact CG2-CD2 3.39Å; H631-P633 WeakPolarHBondContact O-CD 3.38Å; H631-T680 HydrophobicContact CB-CG2 3.96Å; H631-I686 HydrophobicContact CB-CD1 3.25Å; H631-I686 VanDerWaalsContact CD2-CD1 3.44Å; H631-I686 WeakPolarHBondContact CD2-CD1 3.32Å; H631-C709 PolarHBondContact CE1-SG 2.92Å
632	A	92.8	Very high	85.4	Confident	18 Å²	18	52.7 Å²	52.7	15%	0.149	28%	0.279	C	S	.	.			trans	-86.1	102.8	-179.8	0	0	0	0	0	111.9	L572 D630 T680 E681	L572-A632 HydrophobicContact CD2-CB 4.36Å; L572-A632 WeakPolarHBondContact O-CB 3.33Å; D630-A632 PolarHBondContact O-N 3.35Å; A632-T680 CarbonylContact O-C 3.47Å; A632-T680 WeakPolarHBondContact O-CA 3.39Å; A632-T680 VanDerWaalsContact O-CB 3.26Å; A632-T680 WeakPolarHBondContact O-CB 3.28Å; A632-E681 HydrophobicContact CB-CB 4.35Å; A632-E681 PolarHBondContact O-N 2.73Å
633	P	95.7	Very high	85	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	136.7	-177.7	31.7	-36.3	0	0	0	112.6	T539 C570 G571 I576 L622 H631 A678	T539-P633 PolarHBondContact OG1-O 3.05Å; C570-P633 HydrophobicContact CB-CB 4.11Å; C570-P633 HydrophobicContact CB-CG 3.94Å; G571-P633 VanDerWaalsContact O-CD 3.25Å; G571-P633 WeakPolarHBondContact O-CD 3.13Å; G571-P633 WeakPolarHBondContact O-CG 3.41Å; I576-P633 HydrophobicContact CG1-CG 4.37Å; L622-P633 HydrophobicContact CD1-CB 3.79Å; L622-P633 HydrophobicContact CD1-CG 3.85Å; H631-P633 WeakPolarHBondContact O-CD 3.38Å; P633-A678 HydrophobicContact CB-CB 4.42Å
634	I	95.8	Very high	85	Confident	27 Å²	27	55.7 Å²	55.7	14%	0.138	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	-34.6	173.3	-63.7	-170.1	0	0	0	112.2	T539 L572 G679 E681 P716 I717	T539-I634 CarbonylContact C-O 3.5Å; T539-I634 WeakPolarHBondContact CB-O 3.25Å; T539-I634 WeakPolarHBondContact OG1-CA 3.08Å; T539-I634 PolarHBondContact OG1-O 3.36Å; L572-I634 HydrophobicContact CD2-CD1 4.39Å; L572-I634 HydrophobicContact CD2-CG1 3.79Å; I634-G679 PolarHBondContact N-O 2.67Å; I634-E681 HydrophobicContact CD1-CB 3.63Å; I634-E681 HydrophobicContact CD1-CG 3.96Å; I634-E681 HydrophobicContact CG1-CB 4.05Å; I634-P716 HydrophobicContact CD1-CB 3.73Å; I634-I717 VanDerWaalsContact CG2-O 3.27Å; I634-I717 WeakPolarHBondContact CG2-O 3.5Å
635	K	97.3	Very high	85.3	Confident	31 Å²	31	57.9 Å²	57.9	14%	0.135	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	146.9	178.2	-66.7	-69.4	163.1	-84.4	0	109.7	T539 D540 A678 G679 I717 S718 L720	T539-K635 PolarHBondContact O-NZ 2.94Å; D540-K635 HydrophobicContact CB-CD 4.1Å; K635-A678 CarbonylContact O-C 3.54Å; K635-A678 WeakPolarHBondContact O-CA 3.36Å; K635-G679 PolarHBondContact N-O 2.89Å; K635-G679 PolarHBondContact O-N 2.95Å; K635-I717 HydrophobicContact CB-CG2 4.48Å; K635-S718 WeakPolarHBondContact CE-O 3.38Å; K635-L720 HydrophobicContact CB-CB 3.75Å
636	F	97.4	Very high	85.9	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	157.4	173.8	72.7	-82	0	0	0	111.5	D540 K542 M568 C570 I576 I676 Y677 A678	D540-F636 HydrophobicContact CB-CD1 4.03Å; D540-F636 HydrophobicContact CB-CE1 4.03Å; D540-F636 PolarHBondContact OD2-N 2.86Å; K542-F636 HydrophobicContact CB-CE2 4.18Å; K542-F636 HydrophobicContact CB-CZ 3.91Å; K542-F636 HydrophobicContact CD-CE2 4.4Å; K542-F636 WeakPolarHBondContact CE-O 3.49Å; K542-F636 HydrophobicContact CG-CE2 4.32Å; K542-F636 HydrophobicContact CG-CZ 4.01Å; M568-F636 HydrophobicContact CB-CE2 3.69Å; M568-F636 HydrophobicContact CB-CZ 3.52Å; M568-F636 HydrophobicContact CE-CE2 4.24Å; M568-F636 HydrophobicContact SD-CE2 4.21Å; C570-F636 HydrophobicContact CB-CD1 3.7Å; C570-F636 HydrophobicContact CB-CE1 4.04Å; I576-F636 HydrophobicContact CD1-CB 4.13Å; I576-F636 HydrophobicContact CD1-CG 4.32Å; F636-I676 HydrophobicContact CB-CG2 3.77Å; F636-I676 HydrophobicContact CD2-CG2 3.99Å; F636-I676 HydrophobicContact CG-CG2 4.32Å; F636-Y677 CarbonylContact C-O 3.57Å; F636-Y677 WeakPolarHBondContact CA-O 3.26Å; F636-A678 HydrophobicContact CB-CB 4.39Å
637	C	96	Very high	86.6	Confident	5 Å²	5	50.9 Å²	50.9	3%	0.034	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	145.3	171	65	0	0	0	0	111.7	Y677 R722	C637-Y677 PolarHBondContact N-O 3.42Å; C637-Y677 PolarHBondContact O-N 3.13Å; C637-R722 HydrophobicContact CB-CG 4.47Å
638	I	95.4	Very high	87.5	Confident	11 Å²	11	45.9 Å²	45.9	6%	0.056	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	162	175.4	63.1	171.9	0	0	0	109.1	I544 M568 I676 W690 R722	I544-I638 HydrophobicContact CD1-CD1 4.11Å; M568-I638 HydrophobicContact SD-CG2 4.18Å; I638-I676 HydrophobicContact CG2-CG1 4.26Å; I638-W690 HydrophobicContact CB-CZ3 4.36Å; I638-W690 HydrophobicContact CG2-CH2 4.43Å; I638-W690 HydrophobicContact CG2-CZ3 3.79Å; I638-R722 VanDerWaalsContact O-CD 3.31Å; I638-R722 WeakPolarHBondContact O-CD 3.4Å
639	R	92.8	Very high	88.3	Confident	83 Å²	83	43.5 Å²	43.5	31%	0.313	24%	0.236	S	C	.	.	S	Bend	trans	-69.6	-42.6	-177.7	-170.8	176.4	-173.9	140.6	-3.2	113.7	M641 D673 S727 E743	R639-M641 PolarHBondContact O-N 3.24Å; R639-D673 HydrophobicContact CB-CB 4.02Å; R639-D673 WeakPolarHBondContact CB-OD2 3.42Å; R639-D673 WeakPolarHBondContact CD-OD2 3.38Å; R639-D673 HydrophobicContact CG-CB 4.45Å; R639-S727 PolarHBondContact NE-OG 2.89Å; R639-E743 IonicContact NH1-OE1 3.55Å; R639-E743 PolarHBondContact NH1-OE1 2.49Å; R639-E743 IonicContact NH1-OE2 3.6Å; R639-E743 PolarHBondContact NH1-OE2 3.39Å
640	E	91.1	Very high	88.6	Confident	18 Å²	18	41.4 Å²	41.4	8%	0.084	23%	0.228	C	C	.	.			trans	-72.2	128.2	-176.3	-64.9	-56.9	158.4	0	0	111.7	P545 H547 L548 L647	P545-E640 HydrophobicContact CG-CB 3.96Å; P545-E640 VanDerWaalsContact CG-O 3.29Å; P545-E640 WeakPolarHBondContact CG-O 3.12Å; H547-E640 IonicContact NE2-OE2 3.66Å; L548-E640 HydrophobicContact CD2-CB 4.37Å; L548-E640 HydrophobicContact CD2-CG 4.25Å; E640-L647 HydrophobicContact CG-CD2 4.2Å; E640-L647 WeakPolarHBondContact OE1-CB 3.43Å; E640-L647 WeakPolarHBondContact OE1-CD2 3.22Å
641	M	87.8	Confident	87.9	Confident	81 Å²	81	38.3 Å²	38.3	40%	0.399	21%	0.211	S	C	.	.			trans	-115.4	145.9	-176.9	-66.4	-69.2	-81.3	0	0	110.5	R639 G643 D644	R639-M641 PolarHBondContact O-N 3.24Å; M641-G643 PolarHBondContact O-N 3.11Å; M641-D644 PolarHBondContact O-N 2.87Å
642	Q	87.7	Confident	86.8	Confident	78 Å²	78	41.9 Å²	41.9	36%	0.364	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	125	177.1	179.5	60.5	27	0	0	110.8	P466 D546	P466-Q642 HydrophobicContact CB-CG 3.81Å; P466-Q642 HydrophobicContact CG-CG 4.41Å; D546-Q642 PolarHBondContact OD1-NE2 3.48Å; D546-Q642 PolarHBondContact OD1-OE1 3.09Å; D546-Q642 PolarHBondContact OD2-NE2 3.29Å
643	G	82	Confident	85.1	Confident	52 Å²	52	48.6 Å²	48.6	54%	0.536	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.9	-20.7	179.3	0	0	0	0	0	114.5	M641	M641-G643 PolarHBondContact O-N 3.11Å
644	D	84.8	Confident	83.1	Confident	76 Å²	76	52.5 Å²	52.5	41%	0.406	28%	0.282	S	S	.	.			trans	-73.1	137.2	165.9	-165.1	1.9	0	0	0	109	H547 M641 S646	H547-D644 PolarHBondContact CE1-O 3.04Å; M641-D644 PolarHBondContact O-N 2.87Å; D644-S646 VanDerWaalsContact OD1-CB 3.26Å; D644-S646 WeakPolarHBondContact OD1-CB 3.1Å; D644-S646 PolarHBondContact OD1-N 2.82Å; D644-S646 PolarHBondContact OD1-OG 3.25Å; D644-S646 PolarHBondContact OD2-OG 2.85Å
645	R	86.2	Confident	81.1	Confident	72 Å²	72	55.3 Å²	55.3	27%	0.272	30%	0.304	S	S	.	.			trans	-127.6	8.9	-179.5	-59.3	-63.9	-171.9	-114.4	4.7	111.2	D546 H547 L647 L648 T649	D546-R645 IonicContact OD1-CZ 3.78Å; D546-R645 IonicContact OD1-NH1 3.95Å; D546-R645 PolarHBondContact OD1-NH1 2.64Å; D546-R645 IonicContact OD1-NH2 2.76Å; D546-R645 PolarHBondContact OD1-NH2 3.36Å; D546-R645 IonicContact OD2-CZ 2.98Å; D546-R645 IonicContact OD2-NH1 2.8Å; D546-R645 IonicContact OD2-NH2 3.06Å; D546-R645 PolarHBondContact OD2-NH2 2.99Å; H547-R645 PolarHBondContact ND1-NH1 3.45Å; R645-L647 PolarHBondContact O-N 2.97Å; R645-L648 PolarHBondContact O-N 3.2Å; R645-L648 VanDerWaalsContact O-N 3.07Å; R645-T649 PolarHBondContact O-N 3.19Å; R645-T649 VanDerWaalsContact O-N 3.14Å
646	S	85.6	Confident	78.8	Confident	58 Å²	58	58.5 Å²	58.5	41%	0.406	33%	0.33	S	S	.	.	H	α-helix	trans	-51.2	-43.2	-179.3	61	0	0	0	0	111.6	D644 L648 T649 S650	D644-S646 VanDerWaalsContact OD1-CB 3.26Å; D644-S646 WeakPolarHBondContact OD1-CB 3.1Å; D644-S646 PolarHBondContact OD1-N 2.82Å; D644-S646 PolarHBondContact OD1-OG 3.25Å; D644-S646 PolarHBondContact OD2-OG 2.85Å; S646-L648 PolarHBondContact O-N 2.91Å; S646-T649 WeakPolarHBondContact CA-OG1 3.48Å; S646-T649 PolarHBondContact O-N 2.8Å; S646-T649 VanDerWaalsContact O-N 3.14Å; S646-T649 PolarHBondContact O-OG1 2.96Å; S646-S650 PolarHBondContact O-N 3.19Å; S646-S650 PolarHBondContact O-OG 3.37Å
647	L	84.6	Confident	76.3	Confident	5 Å²	5	64.7 Å²	64.7	3%	0.026	36%	0.362	C	S	.	.	H	α-helix	trans	-56.5	-43.9	176.3	176.1	61.6	0	0	0	113.9	L548 E640 R645 S650 N651 L669 N671 A672	L548-L647 HydrophobicContact CD1-CD2 4.19Å; E640-L647 HydrophobicContact CG-CD2 4.2Å; E640-L647 WeakPolarHBondContact OE1-CB 3.43Å; E640-L647 WeakPolarHBondContact OE1-CD2 3.22Å; R645-L647 PolarHBondContact O-N 2.97Å; L647-S650 PolarHBondContact O-OG 3.4Å; L647-N651 PolarHBondContact O-N 2.87Å; L647-N651 PolarHBondContact O-ND2 3.21Å; L647-L669 HydrophobicContact CD2-CD1 4.02Å; L647-N671 VanDerWaalsContact CD1-C 3.47Å; L647-N671 HydrophobicContact CD1-CB 4.18Å; L647-N671 VanDerWaalsContact CD1-O 3.27Å; L647-N671 WeakPolarHBondContact CD1-O 3.38Å; L647-A672 HydrophobicContact CD1-CB 4.13Å; L647-A672 HydrophobicContact CD2-CB 3.93Å
648	L	82.5	Confident	73.5	Confident	29 Å²	29	71.8 Å²	71.8	15%	0.152	40%	0.399	C	S	.	.	H	α-helix	trans	-70.3	-38.3	178.5	-61.8	-173.2	0	0	0	110.7	H547 E558 R645 S646 S650 N651 T652 L669	H547-L648 HydrophobicContact CB-CD1 4.01Å; E558-L648 HydrophobicContact CB-CD2 4.16Å; E558-L648 HydrophobicContact CG-CD1 4.31Å; E558-L648 HydrophobicContact CG-CD2 3.75Å; R645-L648 PolarHBondContact O-N 3.2Å; R645-L648 VanDerWaalsContact O-N 3.07Å; S646-L648 PolarHBondContact O-N 2.91Å; L648-S650 PolarHBondContact O-N 2.97Å; L648-N651 PolarHBondContact O-N 3.29Å; L648-T652 WeakPolarHBondContact O-CG2 3.44Å; L648-T652 PolarHBondContact O-N 3.23Å; L648-T652 VanDerWaalsContact O-N 3.16Å; L648-T652 PolarHBondContact O-OG1 2.92Å; L648-L669 HydrophobicContact CD2-CD1 4.27Å; L648-L669 HydrophobicContact CD2-CD2 4.4Å
649	T	80.2	Confident	71	Confident	80 Å²	80	76.5 Å²	76.5	49%	0.491	43%	0.429	S	S	.	.	H	α-helix	trans	-69	-30.9	179	65.5	0	0	0	0	113.3	R645 S646 T652	R645-T649 PolarHBondContact O-N 3.19Å; R645-T649 VanDerWaalsContact O-N 3.14Å; S646-T649 WeakPolarHBondContact CA-OG1 3.48Å; S646-T649 PolarHBondContact O-N 2.8Å; S646-T649 VanDerWaalsContact O-N 3.14Å; S646-T649 PolarHBondContact O-OG1 2.96Å; T649-T652 PolarHBondContact O-OG1 2.88Å
650	S	76.2	Confident	68.4	Low	41 Å²	41	78.9 Å²	78.9	29%	0.287	45%	0.453	S	S	.	.	H	α-helix	trans	-71.1	-45.6	174.9	59.6	0	0	0	0	111.1	S646 L647 L648 T652 K653 D654	S646-S650 PolarHBondContact O-N 3.19Å; S646-S650 PolarHBondContact O-OG 3.37Å; L647-S650 PolarHBondContact O-OG 3.4Å; L648-S650 PolarHBondContact O-N 2.97Å; S650-T652 VanDerWaalsContact C-N 3.33Å; S650-T652 PolarHBondContact O-N 3.47Å; S650-K653 PolarHBondContact O-N 3.03Å; S650-K653 VanDerWaalsContact O-N 3.13Å; S650-D654 PolarHBondContact O-N 2.65Å
651	N	67.8	Low	66	Low	16 Å²	16	84.4 Å²	84.4	9%	0.086	48%	0.483	C	S	.	.	H	α-helix	trans	-65.6	-30.4	-179.6	-74.1	-26.3	0	0	0	114	L647 L648 K653 D654 S655 L669 N671	L647-N651 PolarHBondContact O-N 2.87Å; L647-N651 PolarHBondContact O-ND2 3.21Å; L648-N651 PolarHBondContact O-N 3.29Å; N651-K653 VanDerWaalsContact C-N 3.3Å; N651-K653 PolarHBondContact O-N 2.94Å; N651-D654 PolarHBondContact O-N 2.92Å; N651-S655 WeakPolarHBondContact O-CB 3.38Å; N651-S655 PolarHBondContact O-N 3.13Å; N651-S655 VanDerWaalsContact O-N 3.07Å; N651-S655 PolarHBondContact O-OG 2.84Å; N651-L669 VanDerWaalsContact ND2-CD2 3.32Å; N651-L669 WeakPolarHBondContact ND2-CD2 3.47Å; N651-N671 VanDerWaalsContact OD1-CB 3.31Å; N651-N671 WeakPolarHBondContact OD1-CB 3.48Å; N651-N671 PolarHBondContact OD1-N 2.86Å; N651-N671 PolarHBondContact OD1-ND2 3.43Å; N651-N671 VanDerWaalsContact OD1-ND2 3.08Å
652	T	62.6	Low	63.6	Low	98 Å²	98	88.8 Å²	88.8	60%	0.601	51%	0.508	S	S	*	.	H	α-helix	trans	-68.1	-26.4	174.6	54.5	0	0	0	0	113.7	L648 T649 S650 S655	L648-T652 WeakPolarHBondContact O-CG2 3.44Å; L648-T652 PolarHBondContact O-N 3.23Å; L648-T652 VanDerWaalsContact O-N 3.16Å; L648-T652 PolarHBondContact O-OG1 2.92Å; T649-T652 PolarHBondContact O-OG1 2.88Å; S650-T652 VanDerWaalsContact C-N 3.33Å; S650-T652 PolarHBondContact O-N 3.47Å; T652-S655 VanDerWaalsContact CA-OG 3.29Å; T652-S655 WeakPolarHBondContact CA-OG 3.4Å; T652-S655 PolarHBondContact O-OG 3.3Å
653	K	57.1	Low	61.6	Low	160 Å²	160	88.7 Å²	88.7	70%	0.696	52%	0.516	S	S	*	.	H	α-helix	trans	-74.4	-39.4	175.7	-69	178.7	-179.5	175.5	0	111.3	S650 N651 S656	S650-K653 PolarHBondContact O-N 3.03Å; S650-K653 VanDerWaalsContact O-N 3.13Å; N651-K653 VanDerWaalsContact C-N 3.3Å; N651-K653 PolarHBondContact O-N 2.94Å; K653-S656 PolarHBondContact O-OG 3.22Å
654	D	53.7	Low	60.1	Low	82 Å²	82	92.4 Å²	92.4	44%	0.439	53%	0.533	S	S	.	.	H	α-helix	trans	-77.4	-26.5	-178.1	-64.7	-22.9	0	0	0	113	S650 N651 S656 I657 N671	S650-D654 PolarHBondContact O-N 2.65Å; N651-D654 PolarHBondContact O-N 2.92Å; D654-S656 PolarHBondContact O-N 3.1Å; D654-I657 WeakPolarHBondContact O-CG1 3.36Å; D654-I657 PolarHBondContact O-N 2.94Å; D654-N671 PolarHBondContact OD2-ND2 3.33Å
655	S	53.3	Low	58.8	Low	85 Å²	85	96.8 Å²	96.8	59%	0.594	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	5.2	177.9	40.8	0	0	0	0	115	N651 T652 I657	N651-S655 WeakPolarHBondContact O-CB 3.38Å; N651-S655 PolarHBondContact O-N 3.13Å; N651-S655 VanDerWaalsContact O-N 3.07Å; N651-S655 PolarHBondContact O-OG 2.84Å; T652-S655 VanDerWaalsContact CA-OG 3.29Å; T652-S655 WeakPolarHBondContact CA-OG 3.4Å; T652-S655 PolarHBondContact O-OG 3.3Å; S655-I657 PolarHBondContact O-N 3.3Å
656	S	49.8	Very low	57.8	Low	98 Å²	98	99 Å²	99	69%	0.685	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	1.2	162.6	60.1	0	0	0	0	113.6	K653 D654 N658	K653-S656 PolarHBondContact O-OG 3.22Å; D654-S656 PolarHBondContact O-N 3.1Å; S656-N658 PolarHBondContact O-N 3.42Å
657	I	45.3	Very low	57.6	Low	130 Å²	130	102.7 Å²	102.7	67%	0.667	58%	0.58	S	S	*	*	S	Bend	trans	-79.9	103	168.9	-60.7	167.4	0	0	0	109.3	D654 S655 T659	D654-I657 WeakPolarHBondContact O-CG1 3.36Å; D654-I657 PolarHBondContact O-N 2.94Å; S655-I657 PolarHBondContact O-N 3.3Å; I657-T659 PolarHBondContact O-N 2.83Å; I657-T659 VanDerWaalsContact O-N 3.15Å
658	N	37.7	Very low	57.6	Low	155 Å²	155	105 Å²	105	83%	0.829	60%	0.595	S	S	*	*			trans	-35.8	111	172.8	-65.2	-44.1	0	0	0	113.7	S656	S656-N658 PolarHBondContact O-N 3.42Å
659	T	41.7	Very low	57.8	Low	109 Å²	109	104.6 Å²	104.6	67%	0.669	59%	0.593	S	S	*	*			trans	-131.9	105.9	158.6	47.8	0	0	0	0	109.4	I657 D661	I657-T659 PolarHBondContact O-N 2.83Å; I657-T659 VanDerWaalsContact O-N 3.15Å; T659-D661 PolarHBondContact O-N 2.99Å
660	T	38	Very low	57.8	Low	133 Å²	133	105.7 Å²	105.7	82%	0.816	60%	0.601	S	S	*	*			trans	-80.4	23	178.2	40.8	0	0	0	0	113.3	N662	T660-N662 PolarHBondContact O-N 2.96Å
661	D	40.9	Very low	58.1	Low	134 Å²	134	107.5 Å²	107.5	72%	0.717	61%	0.608	S	S	*	*			trans	-97.1	96.8	-175.3	-75.4	-12.7	0	0	0	110.9	T659 S663	T659-D661 PolarHBondContact O-N 2.99Å; D661-S663 PolarHBondContact O-N 3.42Å
662	N	37.6	Very low	59.1	Low	173 Å²	173	107.5 Å²	107.5	93%	0.925	61%	0.61	S	S	*	*			trans	-61.4	31.9	172.1	-90.5	-28.4	0	0	0	114.6	T660 S664	T660-N662 PolarHBondContact O-N 2.96Å; N662-S664 PolarHBondContact O-N 3.43Å
663	S	45.5	Very low	60.4	Low	76 Å²	76	103.9 Å²	103.9	53%	0.531	59%	0.587	S	S	.	*			trans	-81	113.8	165.6	97.8	0	0	0	0	107.1	D661 K665	D661-S663 PolarHBondContact O-N 3.42Å; S663-K665 PolarHBondContact O-N 3.45Å
664	S	50.4	Low	62.1	Low	130 Å²	130	97 Å²	97	91%	0.909	56%	0.559	S	S	*	*			trans	-67.3	35.8	178	52.1	0	0	0	0	113.5	N662	N662-S664 PolarHBondContact O-N 3.43Å
665	K	57.5	Low	64.1	Low	169 Å²	169	94.5 Å²	94.5	74%	0.735	54%	0.544	S	S	*	.			trans	-98.5	109.4	173.4	-68.5	-176.4	178.9	179.4	0	106.8	S663 L667	S663-K665 PolarHBondContact O-N 3.45Å; K665-L667 PolarHBondContact O-N 2.98Å
666	L	66	Low	66.1	Low	118 Å²	118	90.5 Å²	90.5	62%	0.618	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-52.2	124.3	169.6	-69.7	162.6	0	0	0	108.1	F557	F557-L666 HydrophobicContact CD1-CB 4.23Å; F557-L666 WeakPolarHBondContact CE1-O 3.3Å
667	L	81.6	Confident	68.3	Low	136 Å²	136	86.2 Å²	86.2	71%	0.712	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-77.9	142.6	175	-71.2	165.9	0	0	0	108.8	K665	K665-L667 PolarHBondContact O-N 2.98Å
668	P	84.9	Confident	70.8	Confident	52 Å²	52	80 Å²	80	34%	0.338	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-56.4	151	170.4	-22.8	33.2	0	0	0	111.5	Y555 C556 F557 P670	Y555-P668 HydrophobicContact CD1-CB 4.46Å; Y555-P668 HydrophobicContact CD1-CG 4.3Å; Y555-P668 HydrophobicContact CG-CG 4.26Å; C556-P668 CarbonylContact O-C 3.49Å; C556-P668 VanDerWaalsContact O-CA 3.3Å; C556-P668 WeakPolarHBondContact O-CA 3.48Å; F557-P668 HydrophobicContact CE1-CB 4.23Å; F557-P668 HydrophobicContact CE1-CG 3.85Å; F557-P668 HydrophobicContact CZ-CB 4.36Å; F557-P668 HydrophobicContact CZ-CG 3.89Å; P668-P670 VanDerWaalsContact O-CD 3.28Å; P668-P670 WeakPolarHBondContact O-CD 3.23Å
669	L	86.6	Confident	73.6	Confident	22 Å²	22	72.7 Å²	72.7	12%	0.115	41%	0.414	C	S	.	.			trans	-69.1	112.8	173.1	-68.2	173.3	0	0	0	108.9	L548 C556 E558 L647 L648 N651 N671 A672	L548-L669 HydrophobicContact CD1-CD1 4.07Å; C556-L669 PolarHBondContact O-N 3.1Å; E558-L669 HydrophobicContact CB-CD1 4.36Å; E558-L669 HydrophobicContact CB-CD2 4.21Å; L647-L669 HydrophobicContact CD2-CD1 4.02Å; L648-L669 HydrophobicContact CD2-CD1 4.27Å; L648-L669 HydrophobicContact CD2-CD2 4.4Å; N651-L669 VanDerWaalsContact ND2-CD2 3.32Å; N651-L669 WeakPolarHBondContact ND2-CD2 3.47Å; L669-N671 PolarHBondContact O-N 3.4Å; L669-A672 HydrophobicContact CB-CB 3.82Å; L669-A672 WeakPolarHBondContact O-CB 3.46Å; L669-A672 PolarHBondContact O-N 2.98Å
670	P	79.1	Confident	76.2	Confident	102 Å²	102	67.5 Å²	67.5	66%	0.662	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-32.6	-170.8	26.6	-34.2	0	0	0	113	P668	P668-P670 VanDerWaalsContact O-CD 3.28Å; P668-P670 WeakPolarHBondContact O-CD 3.23Å
671	N	83.7	Confident	78.8	Confident	79 Å²	79	66.1 Å²	66.1	42%	0.422	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	11.1	-178.4	-61.5	-25.6	0	0	0	113.5	L647 N651 D654 L669	L647-N671 VanDerWaalsContact CD1-C 3.47Å; L647-N671 HydrophobicContact CD1-CB 4.18Å; L647-N671 VanDerWaalsContact CD1-O 3.27Å; L647-N671 WeakPolarHBondContact CD1-O 3.38Å; N651-N671 VanDerWaalsContact OD1-CB 3.31Å; N651-N671 WeakPolarHBondContact OD1-CB 3.48Å; N651-N671 PolarHBondContact OD1-N 2.86Å; N651-N671 PolarHBondContact OD1-ND2 3.43Å; N651-N671 VanDerWaalsContact OD1-ND2 3.08Å; D654-N671 PolarHBondContact OD2-ND2 3.33Å; L669-N671 PolarHBondContact O-N 3.4Å
672	A	88	Confident	81.1	Confident	16 Å²	16	62.7 Å²	62.7	13%	0.132	35%	0.348	C	S	.	.			trans	-77.1	128	179.7	0	0	0	0	0	110.4	C556 L647 L669	C556-A672 HydrophobicContact CB-CB 3.51Å; L647-A672 HydrophobicContact CD1-CB 4.13Å; L647-A672 HydrophobicContact CD2-CB 3.93Å; L669-A672 HydrophobicContact CB-CB 3.82Å; L669-A672 WeakPolarHBondContact O-CB 3.46Å; L669-A672 PolarHBondContact O-N 2.98Å
673	D	90.6	Very high	83.6	Confident	22 Å²	22	54.5 Å²	54.5	12%	0.118	30%	0.304	C	S	.	.			trans	-74.7	130.4	176.1	-177.7	27	0	0	0	110.8	R639 H675 W690 R722	R639-D673 HydrophobicContact CB-CB 4.02Å; R639-D673 WeakPolarHBondContact CB-OD2 3.42Å; R639-D673 WeakPolarHBondContact CD-OD2 3.38Å; R639-D673 HydrophobicContact CG-CB 4.45Å; D673-H675 IonicContact OD1-CE1 3.58Å; D673-H675 IonicContact OD1-CG 2.8Å; D673-H675 PolarHBondContact OD1-N 2.93Å; D673-H675 IonicContact OD1-ND1 3.65Å; D673-H675 PolarHBondContact OD1-ND1 3.17Å; D673-W690 WeakPolarHBondContact O-CH2 3.3Å; D673-R722 IonicContact OD2-NH2 3.48Å
674	T	93.3	Very high	85.9	Confident	16 Å²	16	50.9 Å²	50.9	10%	0.098	28%	0.279	C	S	.	.			trans	-110.6	17.9	179.9	59.3	0	0	0	0	114.1	D689 W690 I691	T674-D689 WeakPolarHBondContact CB-OD1 3.32Å; T674-D689 WeakPolarHBondContact O-CA 3.26Å; T674-D689 PolarHBondContact OG1-OD1 3.32Å; T674-W690 VanDerWaalsContact C-CZ3 3.46Å; T674-W690 VanDerWaalsContact CA-CZ2 3.49Å; T674-W690 HydrophobicContact CG2-CZ2 3.89Å; T674-W690 PolarHBondContact O-N 3.32Å; T674-I691 HydrophobicContact CG2-CD1 3.57Å; T674-I691 HydrophobicContact CG2-CG1 3.9Å; T674-I691 WeakPolarHBondContact OG1-CD1 3.3Å
675	H	94.7	Very high	88	Confident	30 Å²	30	44.7 Å²	44.7	14%	0.139	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	148.2	179.8	-58.4	83	0	0	0	114	D673 Y687 V688 W690 E707	D673-H675 IonicContact OD1-CE1 3.58Å; D673-H675 IonicContact OD1-CG 2.8Å; D673-H675 PolarHBondContact OD1-N 2.93Å; D673-H675 IonicContact OD1-ND1 3.65Å; D673-H675 PolarHBondContact OD1-ND1 3.17Å; H675-Y687 HydrophobicContact CB-CD2 4.2Å; H675-Y687 HydrophobicContact CB-CE1 3.98Å; H675-Y687 HydrophobicContact CB-CE2 3.39Å; H675-Y687 WeakPolarHBondContact CB-OH 3.35Å; H675-Y687 AromaticContact CD2-CE1 3.4Å; H675-Y687 VanDerWaalsContact CD2-CE1 3.4Å; H675-Y687 WeakPolarHBondContact CD2-CE1 3.44Å; H675-Y687 AromaticContact CD2-CZ 3.61Å; H675-Y687 AromaticContact CG-CE1 3.73Å; H675-Y687 AromaticContact CG-CZ 3.4Å; H675-Y687 VanDerWaalsContact CG-CZ 3.4Å; H675-V688 CarbonylContact C-O 3.14Å; H675-V688 VanDerWaalsContact CA-O 3.3Å; H675-V688 WeakPolarHBondContact CA-O 3.2Å; H675-W690 WeakPolarHBondContact O-CZ3 3.25Å; H675-E707 IonicContact CD2-OE2 3.71Å; H675-E707 IonicContact NE2-OE1 3.56Å; H675-E707 PolarHBondContact NE2-OE1 3.11Å; H675-E707 IonicContact NE2-OE2 3.41Å
676	I	95.8	Very high	89.8	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	132	174.7	-46.4	-177	0	0	0	108.8	M568 I576 I620 F636 I638 Y687 V688 W690	M568-I676 HydrophobicContact CE-CD1 3.41Å; M568-I676 VanDerWaalsContact CE-CD1 3.41Å; M568-I676 HydrophobicContact CE-CG1 4.44Å; I576-I676 HydrophobicContact CD1-CD1 4.09Å; I576-I676 HydrophobicContact CD1-CG2 4.07Å; I576-I676 HydrophobicContact CG2-CD1 4.39Å; I620-I676 HydrophobicContact CD1-CD1 3.86Å; F636-I676 HydrophobicContact CB-CG2 3.77Å; F636-I676 HydrophobicContact CD2-CG2 3.99Å; F636-I676 HydrophobicContact CG-CG2 4.32Å; I638-I676 HydrophobicContact CG2-CG1 4.26Å; I676-Y687 WeakPolarHBondContact O-CA 3.4Å; I676-V688 HydrophobicContact CB-CG1 4.38Å; I676-V688 PolarHBondContact N-O 3.46Å; I676-V688 PolarHBondContact O-N 3.12Å; I676-V688 VanDerWaalsContact O-N 3.11Å; I676-W690 HydrophobicContact CD1-CB 4.25Å; I676-W690 HydrophobicContact CD1-CE3 3.8Å; I676-W690 HydrophobicContact CG1-CD2 4.48Å; I676-W690 HydrophobicContact CG1-CE3 3.37Å; I676-W690 HydrophobicContact CG1-CZ3 3.88Å
677	Y	96.4	Very high	91.1	Very high	9 Å²	9	32 Å²	32	4%	0.035	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	122.6	157.3	-82.2	-78.6	0	0	0	109.2	F636 C637 I685 I686 Y687 L720 V730 E743	F636-Y677 CarbonylContact C-O 3.57Å; F636-Y677 WeakPolarHBondContact CA-O 3.26Å; C637-Y677 PolarHBondContact N-O 3.42Å; C637-Y677 PolarHBondContact O-N 3.13Å; Y677-I685 HydrophobicContact CD1-CG2 3.94Å; Y677-I685 HydrophobicContact CE1-CG2 4.43Å; Y677-I686 CarbonylContact C-O 3.5Å; Y677-I686 VanDerWaalsContact CA-O 3.27Å; Y677-I686 WeakPolarHBondContact CA-O 3.48Å; Y677-Y687 AromaticContact CD1-CD2 3.76Å; Y677-Y687 HydrophobicContact CD1-CD2 3.76Å; Y677-Y687 HydrophobicContact CD1-CG 4.42Å; Y677-Y687 AromaticContact CD2-CD2 3.58Å; Y677-Y687 HydrophobicContact CD2-CD2 3.58Å; Y677-Y687 AromaticContact CD2-CE2 3.74Å; Y677-Y687 HydrophobicContact CD2-CE2 3.74Å; Y677-Y687 AromaticContact CE1-CD2 3.5Å; Y677-Y687 HydrophobicContact CE1-CD2 3.5Å; Y677-Y687 HydrophobicContact CE1-CE2 4.3Å; Y677-Y687 AromaticContact CE1-CG 3.98Å; Y677-Y687 HydrophobicContact CE1-CG 3.98Å; Y677-Y687 AromaticContact CE2-CD2 3.32Å; Y677-Y687 HydrophobicContact CE2-CD2 3.32Å; Y677-Y687 AromaticContact CE2-CE2 3.28Å; Y677-Y687 HydrophobicContact CE2-CE2 3.28Å; Y677-Y687 HydrophobicContact CE2-CG 4.42Å; Y677-Y687 AromaticContact CG-CD2 3.8Å; Y677-Y687 HydrophobicContact CG-CD2 3.8Å; Y677-Y687 HydrophobicContact CG-CE2 4.42Å; Y677-Y687 AromaticContact CZ-CD2 3.27Å; Y677-Y687 AromaticContact CZ-CE2 3.6Å; Y677-Y687 AromaticContact CZ-CG 3.98Å; Y677-L720 WeakPolarHBondContact O-CD2 3.49Å; Y677-V730 HydrophobicContact CD2-CG2 3.75Å; Y677-V730 HydrophobicContact CE2-CG2 3.74Å; Y677-V730 HydrophobicContact CG-CG2 4.24Å; Y677-E743 HydrophobicContact CE2-CG 4.4Å; Y677-E743 WeakPolarHBondContact OH-CA 3.4Å
678	A	96.9	Very high	91.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	133.9	175.2	0	0	0	0	0	110.3	I576 L622 P633 K635 F636 I686	I576-A678 HydrophobicContact CD1-CB 4.32Å; L622-A678 HydrophobicContact CD1-CB 3.91Å; P633-A678 HydrophobicContact CB-CB 4.42Å; K635-A678 CarbonylContact O-C 3.54Å; K635-A678 WeakPolarHBondContact O-CA 3.36Å; F636-A678 HydrophobicContact CB-CB 4.39Å; A678-I686 HydrophobicContact CB-CB 4.4Å; A678-I686 PolarHBondContact N-O 2.59Å; A678-I686 PolarHBondContact O-N 3.28Å
679	G	96.5	Very high	92.2	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	133.2	174.4	0	0	0	0	0	109.6	I634 K635 A684	I634-G679 PolarHBondContact N-O 2.67Å; K635-G679 PolarHBondContact N-O 2.89Å; K635-G679 PolarHBondContact O-N 2.95Å; G679-A684 WeakPolarHBondContact CA-O 3.26Å
680	T	95.3	Very high	92.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	172.4	-169.3	60.2	0	0	0	0	114.2	H631 A632 D682 G683 A684 I686 I717	H631-T680 HydrophobicContact CB-CG2 3.96Å; A632-T680 CarbonylContact O-C 3.47Å; A632-T680 WeakPolarHBondContact O-CA 3.39Å; A632-T680 VanDerWaalsContact O-CB 3.26Å; A632-T680 WeakPolarHBondContact O-CB 3.28Å; T680-D682 VanDerWaalsContact C-N 3.31Å; T680-D682 WeakPolarHBondContact CB-OD1 3.39Å; T680-D682 PolarHBondContact OG1-OD1 3.33Å; T680-G683 PolarHBondContact O-N 2.96Å; T680-A684 HydrophobicContact CG2-CB 4.38Å; T680-A684 PolarHBondContact N-O 2.83Å; T680-A684 WeakPolarHBondContact OG1-CA 3.43Å; T680-A684 VanDerWaalsContact OG1-CB 3.29Å; T680-A684 WeakPolarHBondContact OG1-CB 3.41Å; T680-A684 PolarHBondContact OG1-N 3.1Å; T680-A684 PolarHBondContact OG1-O 3.23Å; T680-A684 VanDerWaalsContact OG1-O 3.13Å; T680-I686 HydrophobicContact CG2-CD1 3.35Å; T680-I686 HydrophobicContact CG2-CG1 4.18Å; T680-I717 PolarHBondContact O-N 3.36Å
681	E	92.8	Very high	93.2	Very high	105 Å²	105	19.6 Å²	19.6	49%	0.491	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-31.9	173.4	-173.4	173.1	-172.4	0	0	113.7	A632 I634 G683 P716	A632-E681 HydrophobicContact CB-CB 4.35Å; A632-E681 PolarHBondContact O-N 2.73Å; I634-E681 HydrophobicContact CD1-CB 3.63Å; I634-E681 HydrophobicContact CD1-CG 3.96Å; I634-E681 HydrophobicContact CG1-CB 4.05Å; E681-G683 VanDerWaalsContact C-N 3.3Å; E681-G683 PolarHBondContact O-N 3.43Å; E681-P716 WeakPolarHBondContact O-CA 3.46Å; E681-P716 WeakPolarHBondContact O-CB 3.48Å
682	D	89	Confident	93.5	Very high	62 Å²	62	17 Å²	17	33%	0.332	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	7.6	178.4	65.7	-33.4	0	0	0	113.7	T680	T680-D682 VanDerWaalsContact C-N 3.31Å; T680-D682 WeakPolarHBondContact CB-OD1 3.39Å; T680-D682 PolarHBondContact OG1-OD1 3.33Å
683	G	91.7	Very high	93.4	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	80.9	17.2	176.3	0	0	0	0	0	114.9	T680 E681 H713 G715	T680-G683 PolarHBondContact O-N 2.96Å; E681-G683 VanDerWaalsContact C-N 3.3Å; E681-G683 PolarHBondContact O-N 3.43Å; G683-H713 WeakPolarHBondContact O-CB 3.21Å; G683-H713 PolarHBondContact O-N 3.19Å; G683-G715 WeakPolarHBondContact CA-O 3.38Å
684	A	93	Very high	93.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	145.1	172.5	0	0	0	0	0	111.8	G679 T680 S710	G679-A684 WeakPolarHBondContact CA-O 3.26Å; T680-A684 HydrophobicContact CG2-CB 4.38Å; T680-A684 PolarHBondContact N-O 2.83Å; T680-A684 WeakPolarHBondContact OG1-CA 3.43Å; T680-A684 VanDerWaalsContact OG1-CB 3.29Å; T680-A684 WeakPolarHBondContact OG1-CB 3.41Å; T680-A684 PolarHBondContact OG1-N 3.1Å; T680-A684 PolarHBondContact OG1-O 3.23Å; T680-A684 VanDerWaalsContact OG1-O 3.13Å; A684-S710 CarbonylContact C-O 3.6Å; A684-S710 WeakPolarHBondContact CA-O 3.49Å
685	I	95	Very high	92.5	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	126.5	168.5	-58.4	-60.7	0	0	0	108.1	Y677 C709 S710 I717 L720 A732 W741	Y677-I685 HydrophobicContact CD1-CG2 3.94Å; Y677-I685 HydrophobicContact CE1-CG2 4.43Å; I685-C709 CarbonylContact O-C 3.57Å; I685-C709 WeakPolarHBondContact O-CA 3.45Å; I685-S710 PolarHBondContact N-O 3.36Å; I685-S710 PolarHBondContact O-N 3.09Å; I685-I717 HydrophobicContact CD1-CD1 3.83Å; I685-I717 HydrophobicContact CD1-CG1 3.9Å; I685-L720 HydrophobicContact CD1-CD1 4.04Å; I685-A732 HydrophobicContact CD1-CB 3.68Å; I685-A732 HydrophobicContact CG1-CB 4.27Å; I685-W741 HydrophobicContact CB-CZ2 4.45Å; I685-W741 HydrophobicContact CG1-CZ2 4.26Å
686	I	94.1	Very high	91.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	137.6	-173.6	-58.4	170.3	0	0	0	108.1	L622 H631 Y677 A678 T680 V688 P706 F708	L622-I686 HydrophobicContact CD1-CD1 4.43Å; H631-I686 HydrophobicContact CB-CD1 3.25Å; H631-I686 VanDerWaalsContact CD2-CD1 3.44Å; H631-I686 WeakPolarHBondContact CD2-CD1 3.32Å; Y677-I686 CarbonylContact C-O 3.5Å; Y677-I686 VanDerWaalsContact CA-O 3.27Å; Y677-I686 WeakPolarHBondContact CA-O 3.48Å; A678-I686 HydrophobicContact CB-CB 4.4Å; A678-I686 PolarHBondContact N-O 2.59Å; A678-I686 PolarHBondContact O-N 3.28Å; T680-I686 HydrophobicContact CG2-CD1 3.35Å; T680-I686 HydrophobicContact CG2-CG1 4.18Å; I686-V688 HydrophobicContact CG2-CB 4.48Å; I686-P706 HydrophobicContact CG2-CB 3.62Å; I686-P706 HydrophobicContact CG2-CG 3.7Å; I686-F708 WeakPolarHBondContact CA-O 3.27Å
687	Y	95.1	Very high	91.1	Very high	19 Å²	19	43.6 Å²	43.6	8%	0.075	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	120.8	172.2	-172.1	-111.4	0	0	0	108.9	H675 I676 Y677 P706 E707 F708 E743	H675-Y687 HydrophobicContact CB-CD2 4.2Å; H675-Y687 HydrophobicContact CB-CE1 3.98Å; H675-Y687 HydrophobicContact CB-CE2 3.39Å; H675-Y687 WeakPolarHBondContact CB-OH 3.35Å; H675-Y687 AromaticContact CD2-CE1 3.4Å; H675-Y687 VanDerWaalsContact CD2-CE1 3.4Å; H675-Y687 WeakPolarHBondContact CD2-CE1 3.44Å; H675-Y687 AromaticContact CD2-CZ 3.61Å; H675-Y687 AromaticContact CG-CE1 3.73Å; H675-Y687 AromaticContact CG-CZ 3.4Å; H675-Y687 VanDerWaalsContact CG-CZ 3.4Å; I676-Y687 WeakPolarHBondContact O-CA 3.4Å; Y677-Y687 AromaticContact CD1-CD2 3.76Å; Y677-Y687 HydrophobicContact CD1-CD2 3.76Å; Y677-Y687 HydrophobicContact CD1-CG 4.42Å; Y677-Y687 AromaticContact CD2-CD2 3.58Å; Y677-Y687 HydrophobicContact CD2-CD2 3.58Å; Y677-Y687 AromaticContact CD2-CE2 3.74Å; Y677-Y687 HydrophobicContact CD2-CE2 3.74Å; Y677-Y687 AromaticContact CE1-CD2 3.5Å; Y677-Y687 HydrophobicContact CE1-CD2 3.5Å; Y677-Y687 HydrophobicContact CE1-CE2 4.3Å; Y677-Y687 AromaticContact CE1-CG 3.98Å; Y677-Y687 HydrophobicContact CE1-CG 3.98Å; Y677-Y687 AromaticContact CE2-CD2 3.32Å; Y677-Y687 HydrophobicContact CE2-CD2 3.32Å; Y677-Y687 AromaticContact CE2-CE2 3.28Å; Y677-Y687 HydrophobicContact CE2-CE2 3.28Å; Y677-Y687 HydrophobicContact CE2-CG 4.42Å; Y677-Y687 AromaticContact CG-CD2 3.8Å; Y677-Y687 HydrophobicContact CG-CD2 3.8Å; Y677-Y687 HydrophobicContact CG-CE2 4.42Å; Y677-Y687 AromaticContact CZ-CD2 3.27Å; Y677-Y687 AromaticContact CZ-CE2 3.6Å; Y677-Y687 AromaticContact CZ-CG 3.98Å; Y687-P706 CarbonylContact O-C 3.57Å; Y687-P706 WeakPolarHBondContact O-CA 3.42Å; Y687-E707 HydrophobicContact CD1-CB 4.28Å; Y687-E707 WeakPolarHBondContact CE1-OE2 3.16Å; Y687-E707 PolarHBondContact O-N 3.49Å; Y687-F708 PolarHBondContact N-O 3.28Å; Y687-F708 PolarHBondContact O-N 3.11Å; Y687-E743 HydrophobicContact CE2-CG 4.38Å; Y687-E743 PolarHBondContact OH-OE1 3.49Å
688	V	94.1	Very high	90.3	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	142.5	-172.2	67.6	0	0	0	0	111	L622 H675 I676 I686 P706	L622-V688 HydrophobicContact CD2-CG1 3.62Å; H675-V688 CarbonylContact C-O 3.14Å; H675-V688 VanDerWaalsContact CA-O 3.3Å; H675-V688 WeakPolarHBondContact CA-O 3.2Å; I676-V688 HydrophobicContact CB-CG1 4.38Å; I676-V688 PolarHBondContact N-O 3.46Å; I676-V688 PolarHBondContact O-N 3.12Å; I676-V688 VanDerWaalsContact O-N 3.11Å; I686-V688 HydrophobicContact CG2-CB 4.48Å; V688-P706 HydrophobicContact CB-CB 4.41Å; V688-P706 HydrophobicContact CG2-CG 4.48Å
689	D	94.3	Very high	89.4	Confident	21 Å²	21	48.5 Å²	48.5	11%	0.112	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	132.3	168.6	-173.4	-0.5	0	0	0	110.2	T674 I691 P704	T674-D689 WeakPolarHBondContact CB-OD1 3.32Å; T674-D689 WeakPolarHBondContact O-CA 3.26Å; T674-D689 PolarHBondContact OG1-OD1 3.32Å; D689-I691 PolarHBondContact OD1-N 3.5Å; D689-P704 HydrophobicContact CB-CG 4.03Å; D689-P704 WeakPolarHBondContact O-CD 3.44Å; D689-P704 VanDerWaalsContact O-CG 3.26Å; D689-P704 WeakPolarHBondContact O-CG 3.44Å
690	W	94.3	Very high	88.8	Confident	4 Å²	4	55.1 Å²	55.1	2%	0.015	28%	0.28	C	S	.	.			trans	-82.9	-11.8	178.2	66.2	62.8	0	0	0	114.1	I550 G554 I620 I638 D673 T674 H675 I676 P692	I550-W690 HydrophobicContact CD1-CH2 4.49Å; I550-W690 HydrophobicContact CD1-CZ2 3.81Å; G554-W690 PolarHBondContact O-NE1 3.36Å; I620-W690 HydrophobicContact CD1-CB 3.5Å; I620-W690 VanDerWaalsContact CD1-CB 3.5Å; I620-W690 HydrophobicContact CD1-CG 4.38Å; I620-W690 HydrophobicContact CG1-CB 3.86Å; I620-W690 HydrophobicContact CG2-CB 4.37Å; I638-W690 HydrophobicContact CB-CZ3 4.36Å; I638-W690 HydrophobicContact CG2-CH2 4.43Å; I638-W690 HydrophobicContact CG2-CZ3 3.79Å; D673-W690 WeakPolarHBondContact O-CH2 3.3Å; T674-W690 VanDerWaalsContact C-CZ3 3.46Å; T674-W690 VanDerWaalsContact CA-CZ2 3.49Å; T674-W690 HydrophobicContact CG2-CZ2 3.89Å; T674-W690 PolarHBondContact O-N 3.32Å; H675-W690 WeakPolarHBondContact O-CZ3 3.25Å; I676-W690 HydrophobicContact CD1-CB 4.25Å; I676-W690 HydrophobicContact CD1-CE3 3.8Å; I676-W690 HydrophobicContact CG1-CD2 4.48Å; I676-W690 HydrophobicContact CG1-CE3 3.37Å; I676-W690 HydrophobicContact CG1-CZ3 3.88Å; W690-P692 VanDerWaalsContact O-CD 3.26Å; W690-P692 WeakPolarHBondContact O-CD 3.12Å
691	I	93.1	Very high	88.2	Confident	27 Å²	27	60 Å²	60	14%	0.138	30%	0.304	C	S	.	.	S	Bend	trans	-69.3	120.9	178.9	-64.2	176.1	0	0	0	109.1	Y555 T674 D689 H693 P704	Y555-I691 HydrophobicContact CD1-CD1 4.45Å; T674-I691 HydrophobicContact CG2-CD1 3.57Å; T674-I691 HydrophobicContact CG2-CG1 3.9Å; T674-I691 WeakPolarHBondContact OG1-CD1 3.3Å; D689-I691 PolarHBondContact OD1-N 3.5Å; I691-H693 PolarHBondContact O-CD2 3.23Å; I691-H693 PolarHBondContact O-N 2.87Å; I691-P704 VanDerWaalsContact O-CD 3.3Å; I691-P704 WeakPolarHBondContact O-CD 3.38Å
692	P	89	Confident	87.8	Confident	25 Å²	25	58 Å²	58	16%	0.162	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-68.1	132.9	177	-20.3	34.5	0	0	0	112.1	L553 L618 W690 M701 Q702	L553-P692 WeakPolarHBondContact O-CD 3.29Å; L618-P692 HydrophobicContact CD1-CG 3.71Å; W690-P692 VanDerWaalsContact O-CD 3.26Å; W690-P692 WeakPolarHBondContact O-CD 3.12Å; P692-M701 HydrophobicContact CB-CB 4.06Å; P692-Q702 CarbonylContact C-O 3.52Å; P692-Q702 VanDerWaalsContact CA-O 3.3Å; P692-Q702 WeakPolarHBondContact CA-O 3.37Å
693	H	86.9	Confident	87.7	Confident	101 Å²	101	55.6 Å²	55.6	47%	0.468	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	154.9	172.3	-69.6	-82.2	0	0	0	111.4	I691 D695 M701 Q702	I691-H693 PolarHBondContact O-CD2 3.23Å; I691-H693 PolarHBondContact O-N 2.87Å; H693-D695 PolarHBondContact O-N 2.87Å; H693-M701 WeakPolarHBondContact O-CA 3.48Å; H693-M701 WeakPolarHBondContact O-CE 3.3Å; H693-Q702 PolarHBondContact N-O 3.29Å; H693-Q702 PolarHBondContact O-N 3Å
694	K	85	Confident	87.6	Confident	149 Å²	149	57 Å²	57	65%	0.648	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	108.4	176.7	-165.9	178.5	176.9	-173.9	0	107.7	Q696 G699 M701	K694-Q696 PolarHBondContact O-N 3.45Å; K694-G699 WeakPolarHBondContact CE-O 3.45Å; K694-M701 HydrophobicContact CB-CE 3.37Å; K694-M701 HydrophobicContact CG-CE 4.04Å
695	D	79.6	Confident	87.3	Confident	49 Å²	49	63.7 Å²	63.7	26%	0.262	32%	0.32	S	S	.	.			trans	-62.5	126.3	170.9	176.8	24.2	0	0	0	108.8	H693 D697 T698 G699 K700 Q702	H693-D695 PolarHBondContact O-N 2.87Å; D695-D697 VanDerWaalsContact C-N 3.28Å; D695-D697 PolarHBondContact O-N 3.3Å; D695-D697 PolarHBondContact OD1-N 3.31Å; D695-T698 WeakPolarHBondContact CB-OG1 3.29Å; D695-T698 WeakPolarHBondContact OD2-CB 3.26Å; D695-T698 VanDerWaalsContact OD2-CG2 3.25Å; D695-T698 WeakPolarHBondContact OD2-CG2 3.3Å; D695-T698 PolarHBondContact OD2-N 2.72Å; D695-T698 PolarHBondContact OD2-OG1 3.07Å; D695-G699 WeakPolarHBondContact O-CA 3.34Å; D695-G699 PolarHBondContact O-N 2.96Å; D695-K700 PolarHBondContact N-O 2.74Å; D695-Q702 PolarHBondContact OD2-NE2 2.86Å
696	Q	80.7	Confident	87.1	Confident	189 Å²	189	65 Å²	65	88%	0.883	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-32.8	-174.7	-64.2	-176	20.3	0	0	110.9	K694	K694-Q696 PolarHBondContact O-N 3.45Å
697	D	79.7	Confident	86.9	Confident	154 Å²	154	71.1 Å²	71.1	82%	0.824	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-47.9	-175.3	-65.4	-27.4	0	0	0	111.7	D695	D695-D697 VanDerWaalsContact C-N 3.28Å; D695-D697 PolarHBondContact O-N 3.3Å; D695-D697 PolarHBondContact OD1-N 3.31Å
698	T	79.5	Confident	86.6	Confident	73 Å²	73	71.5 Å²	71.5	45%	0.448	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-16.6	-177.5	63.9	0	0	0	0	113.8	D695 K700 Q702	D695-T698 WeakPolarHBondContact CB-OG1 3.29Å; D695-T698 WeakPolarHBondContact OD2-CB 3.26Å; D695-T698 VanDerWaalsContact OD2-CG2 3.25Å; D695-T698 WeakPolarHBondContact OD2-CG2 3.3Å; D695-T698 PolarHBondContact OD2-N 2.72Å; D695-T698 PolarHBondContact OD2-OG1 3.07Å; T698-K700 PolarHBondContact O-N 2.97Å; T698-K700 VanDerWaalsContact O-N 3.08Å; T698-K700 WeakPolarHBondContact OG1-CB 3.48Å; T698-K700 PolarHBondContact OG1-N 2.55Å; T698-Q702 PolarHBondContact OG1-NE2 3.34Å
699	G	79.5	Confident	86.4	Confident	39 Å²	39	74.3 Å²	74.3	40%	0.402	38%	0.378	S	S	.	.			trans	65.4	1.4	-170	0	0	0	0	0	114.2	K694 D695	K694-G699 WeakPolarHBondContact CE-O 3.45Å; D695-G699 WeakPolarHBondContact O-CA 3.34Å; D695-G699 PolarHBondContact O-N 2.96Å
700	K	83.2	Confident	86.2	Confident	140 Å²	140	74.2 Å²	74.2	61%	0.609	38%	0.379	S	S	*	.			trans	-83	150.7	-179.5	-65	179.1	-179	175.5	0	110	D695 T698 Q702	D695-K700 PolarHBondContact N-O 2.74Å; T698-K700 PolarHBondContact O-N 2.97Å; T698-K700 VanDerWaalsContact O-N 3.08Å; T698-K700 WeakPolarHBondContact OG1-CB 3.48Å; T698-K700 PolarHBondContact OG1-N 2.55Å; K700-Q702 HydrophobicContact CB-CG 4.35Å; K700-Q702 PolarHBondContact O-N 2.99Å
701	M	82.4	Confident	85.9	Confident	103 Å²	103	77.9 Å²	77.9	51%	0.507	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	115.2	170.8	-55.4	-92.5	55.6	0	0	107.8	P692 H693 K694	P692-M701 HydrophobicContact CB-CB 4.06Å; H693-M701 WeakPolarHBondContact O-CA 3.48Å; H693-M701 WeakPolarHBondContact O-CE 3.3Å; K694-M701 HydrophobicContact CB-CE 3.37Å; K694-M701 HydrophobicContact CG-CE 4.04Å
702	Q	84.7	Confident	85.6	Confident	63 Å²	63	82.3 Å²	82.3	29%	0.294	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	152.8	179.7	-65.2	-174	46.7	0	0	109.5	P692 H693 D695 T698 K700	P692-Q702 CarbonylContact C-O 3.52Å; P692-Q702 VanDerWaalsContact CA-O 3.3Å; P692-Q702 WeakPolarHBondContact CA-O 3.37Å; H693-Q702 PolarHBondContact N-O 3.29Å; H693-Q702 PolarHBondContact O-N 3Å; D695-Q702 PolarHBondContact OD2-NE2 2.86Å; T698-Q702 PolarHBondContact OG1-NE2 3.34Å; K700-Q702 HydrophobicContact CB-CG 4.35Å; K700-Q702 PolarHBondContact O-N 2.99Å
703	T	87.3	Confident	85.8	Confident	11 Å²	11	81.7 Å²	81.7	7%	0.067	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-65.7	141.8	173.3	42	0	0	0	0	110.8	I620 H621 Y623	I620-T703 HydrophobicContact CB-CG2 4.22Å; I620-T703 HydrophobicContact CG2-CG2 4.04Å; H621-T703 PolarHBondContact N-OG1 3.16Å; H621-T703 VanDerWaalsContact N-OG1 3.13Å; H621-T703 PolarHBondContact O-OG1 3.01Å; Y623-T703 WeakPolarHBondContact CE2-O 3.41Å; Y623-T703 VanDerWaalsContact CE2-OG1 3.27Å; Y623-T703 WeakPolarHBondContact CE2-OG1 3.25Å
704	P	88.2	Confident	85.9	Confident	28 Å²	28	80 Å²	80	18%	0.182	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-63.6	160.4	177.7	25.9	-31.3	0	0	0	110.6	D689 I691	D689-P704 HydrophobicContact CB-CG 4.03Å; D689-P704 WeakPolarHBondContact O-CD 3.44Å; D689-P704 VanDerWaalsContact O-CG 3.26Å; D689-P704 WeakPolarHBondContact O-CG 3.44Å; I691-P704 VanDerWaalsContact O-CD 3.3Å; I691-P704 WeakPolarHBondContact O-CD 3.38Å
705	K	88.1	Confident	86.2	Confident	142 Å²	142	73.5 Å²	73.5	62%	0.617	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-64.1	146.6	167.2	-68.5	-175.6	177.7	-176.5	0	109.2	E707	K705-E707 PolarHBondContact O-N 2.67Å
706	P	89.9	Confident	86.9	Confident	27 Å²	27	74.4 Å²	74.4	18%	0.175	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-53.3	132.2	174.5	-26.5	34.9	0	0	0	111.8	Y623 I686 Y687 V688 F708	Y623-P706 WeakPolarHBondContact O-CD 3.39Å; I686-P706 HydrophobicContact CG2-CB 3.62Å; I686-P706 HydrophobicContact CG2-CG 3.7Å; Y687-P706 CarbonylContact O-C 3.57Å; Y687-P706 WeakPolarHBondContact O-CA 3.42Å; V688-P706 HydrophobicContact CB-CB 4.41Å; V688-P706 HydrophobicContact CG2-CG 4.48Å; P706-F708 PolarHBondContact O-N 3.24Å
707	E	89.6	Confident	87.7	Confident	130 Å²	130	65.4 Å²	65.4	61%	0.607	35%	0.351	S	S	*	.	S	Bend	trans	-67.7	-30.4	176	-59.6	-167.3	154.4	0	0	111.1	H675 Y687 K705	H675-E707 IonicContact CD2-OE2 3.71Å; H675-E707 IonicContact NE2-OE1 3.56Å; H675-E707 PolarHBondContact NE2-OE1 3.11Å; H675-E707 IonicContact NE2-OE2 3.41Å; Y687-E707 HydrophobicContact CD1-CB 4.28Å; Y687-E707 WeakPolarHBondContact CE1-OE2 3.16Å; Y687-E707 PolarHBondContact O-N 3.49Å; K705-E707 PolarHBondContact O-N 2.67Å
708	F	88.6	Confident	88.4	Confident	26 Å²	26	59.5 Å²	59.5	11%	0.114	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	137.1	-179	166.4	-95.7	0	0	0	110.4	I686 Y687 P706 W741 T746	I686-F708 WeakPolarHBondContact CA-O 3.27Å; Y687-F708 PolarHBondContact N-O 3.28Å; Y687-F708 PolarHBondContact O-N 3.11Å; P706-F708 PolarHBondContact O-N 3.24Å; F708-W741 HydrophobicContact CE1-CE3 4.23Å; F708-W741 HydrophobicContact CE1-CH2 4.38Å; F708-W741 AromaticContact CE1-CZ3 3.86Å; F708-W741 HydrophobicContact CE1-CZ3 3.86Å; F708-W741 HydrophobicContact CE2-CZ3 4.44Å; F708-W741 HydrophobicContact CZ-CE3 4.12Å; F708-W741 AromaticContact CZ-CH2 3.9Å; F708-W741 HydrophobicContact CZ-CH2 3.9Å; F708-W741 AromaticContact CZ-CZ3 3.37Å; F708-W741 HydrophobicContact CZ-CZ3 3.37Å; F708-T746 HydrophobicContact CB-CG2 4.47Å; F708-T746 HydrophobicContact CD2-CG2 4.09Å; F708-T746 VanDerWaalsContact CE2-O 3.3Å; F708-T746 WeakPolarHBondContact CE2-O 3.47Å; F708-T746 HydrophobicContact CG-CG2 4.48Å
709	C	90.5	Very high	89.3	Confident	59 Å²	59	57.7 Å²	57.7	40%	0.399	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	131.3	173.5	-178.5	0	0	0	0	108.8	H631 I685	H631-C709 PolarHBondContact CE1-SG 2.92Å; I685-C709 CarbonylContact O-C 3.57Å; I685-C709 WeakPolarHBondContact O-CA 3.45Å
710	S	90.3	Very high	90.1	Very high	19 Å²	19	56 Å²	56	13%	0.133	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	121.3	178.1	-168.7	0	0	0	0	112.3	A684 I685 R712	A684-S710 CarbonylContact C-O 3.6Å; A684-S710 WeakPolarHBondContact CA-O 3.49Å; I685-S710 PolarHBondContact N-O 3.36Å; I685-S710 PolarHBondContact O-N 3.09Å; S710-R712 PolarHBondContact O-N 3.47Å
711	S	87.9	Confident	90.8	Very high	81 Å²	81	50.9 Å²	50.9	57%	0.566	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	88.4	174.7	-54.1	0	0	0	0	109.9
712	R	88	Confident	91.4	Very high	121 Å²	121	46.1 Å²	46.1	46%	0.457	25%	0.248	S	C	.	.			trans	-105.8	-29.7	177.7	-71.8	-71.9	178.3	175.2	-3.1	113.4	S710 I737 W741	S710-R712 PolarHBondContact O-N 3.47Å; R712-I737 WeakPolarHBondContact O-CD1 3.37Å; R712-W741 HydrophobicContact CB-CZ2 4.34Å; R712-W741 HydrophobicContact CG-CH2 4.03Å; R712-W741 HydrophobicContact CG-CZ2 4.13Å
713	H	92.5	Very high	92	Very high	11 Å²	11	43.3 Å²	43.3	5%	0.051	24%	0.235	C	C	.	.			trans	-80.3	145.7	-179.8	-69.4	-100.2	0	0	0	111.3	G683 G715 I717 A732 G734 I737 T739	G683-H713 WeakPolarHBondContact O-CB 3.21Å; G683-H713 PolarHBondContact O-N 3.19Å; H713-G715 VanDerWaalsContact C-N 3.27Å; H713-G715 PolarHBondContact O-N 3.16Å; H713-I717 HydrophobicContact CB-CD1 3.82Å; H713-I717 VanDerWaalsContact CD2-CD1 3.41Å; H713-I717 WeakPolarHBondContact CD2-CD1 3.45Å; H713-I717 VanDerWaalsContact CG-CD1 3.45Å; H713-A732 PolarHBondContact CE1-O 3.29Å; H713-G734 PolarHBondContact ND1-N 3.41Å; H713-G734 PolarHBondContact ND1-O 3.33Å; H713-I737 PolarHBondContact CE1-O 2.99Å; H713-I737 PolarHBondContact ND1-O 3.25Å; H713-T739 PolarHBondContact NE2-OG1 2.92Å
714	D	88.4	Confident	92.2	Very high	67 Å²	67	46.2 Å²	46.2	36%	0.358	25%	0.254	S	S	.	.	S	Bend	trans	-90.6	15.8	178.5	61.5	-16.7	0	0	0	113	G735 W736 R755	D714-G735 WeakPolarHBondContact OD1-CA 3.48Å; D714-W736 HydrophobicContact CB-CE3 4.46Å; D714-W736 VanDerWaalsContact CG-CE3 3.44Å; D714-W736 PolarHBondContact OD1-N 2.91Å; D714-W736 VanDerWaalsContact OD2-CE3 3.27Å; D714-R755 IonicContact OD2-CZ 2.99Å; D714-R755 IonicContact OD2-NE 2.68Å; D714-R755 PolarHBondContact OD2-NE 2.79Å; D714-R755 IonicContact OD2-NH2 3.48Å; D714-R755 PolarHBondContact OD2-NH2 2.78Å
715	G	90.7	Very high	92.5	Very high	11 Å²	11	48 Å²	48	11%	0.113	26%	0.259	C	S	.	.	S	Bend	trans	-173.7	-179.9	178.6	0	0	0	0	0	112.5	G683 H713	G683-G715 WeakPolarHBondContact CA-O 3.38Å; H713-G715 VanDerWaalsContact C-N 3.27Å; H713-G715 PolarHBondContact O-N 3.16Å
716	P	94.7	Very high	92.7	Very high	69 Å²	69	42.9 Å²	42.9	45%	0.448	24%	0.239	S	C	.	.			trans	-61.3	142.6	-173.8	24.1	-34.4	0	0	0	112.2	I634 E681 S718 G734 G735	I634-P716 HydrophobicContact CD1-CB 3.73Å; E681-P716 WeakPolarHBondContact O-CA 3.46Å; E681-P716 WeakPolarHBondContact O-CB 3.48Å; P716-S718 PolarHBondContact O-N 2.96Å; P716-S718 VanDerWaalsContact O-N 3.17Å; P716-G734 WeakPolarHBondContact O-CA 3.21Å; P716-G735 PolarHBondContact O-N 3.42Å
717	I	97.1	Very high	92.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	109	175.5	-56.1	-56.8	0	0	0	109.5	I634 K635 T680 I685 H713 L720 I733	I634-I717 VanDerWaalsContact CG2-O 3.27Å; I634-I717 WeakPolarHBondContact CG2-O 3.5Å; K635-I717 HydrophobicContact CB-CG2 4.48Å; T680-I717 PolarHBondContact O-N 3.36Å; I685-I717 HydrophobicContact CD1-CD1 3.83Å; I685-I717 HydrophobicContact CD1-CG1 3.9Å; H713-I717 HydrophobicContact CB-CD1 3.82Å; H713-I717 VanDerWaalsContact CD2-CD1 3.41Å; H713-I717 WeakPolarHBondContact CD2-CD1 3.45Å; H713-I717 VanDerWaalsContact CG-CD1 3.45Å; I717-L720 HydrophobicContact CG2-CB 4.11Å; I717-I733 CarbonylContact C-O 3.55Å; I717-I733 WeakPolarHBondContact CA-O 3.32Å
718	S	95.9	Very high	93	Very high	30 Å²	30	38.1 Å²	38.1	21%	0.21	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-28.4	-179.5	58	0	0	0	0	112.7	K635 P716 I733 L760 T761 G762	K635-S718 WeakPolarHBondContact CE-O 3.38Å; P716-S718 PolarHBondContact O-N 2.96Å; P716-S718 VanDerWaalsContact O-N 3.17Å; S718-I733 PolarHBondContact N-O 3.1Å; S718-I733 PolarHBondContact OG-O 3.4Å; S718-L760 PolarHBondContact OG-O 3.18Å; S718-T761 WeakPolarHBondContact CB-O 3.07Å; S718-G762 PolarHBondContact OG-N 3.26Å
719	H	97.1	Very high	93.4	Very high	34 Å²	34	36.9 Å²	36.9	16%	0.157	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	135.2	176.3	179.1	-89	0	0	0	111.5	C721 A732 I733 G763	H719-C721 WeakPolarHBondContact CE1-CB 3.38Å; H719-A732 CarbonylContact O-C 3.6Å; H719-A732 WeakPolarHBondContact O-CA 3.42Å; H719-I733 HydrophobicContact CB-CB 4.2Å; H719-I733 HydrophobicContact CB-CD1 4.2Å; H719-I733 PolarHBondContact N-O 3.24Å; H719-I733 PolarHBondContact O-N 2.95Å; H719-G763 PolarHBondContact CD2-O 3.38Å; H719-G763 PolarHBondContact NE2-O 3.37Å; H719-G763 VanDerWaalsContact NE2-O 3.15Å
720	L	97.6	Very high	93.7	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.021	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	116.6	176.4	-173.8	68.4	0	0	0	109.1	K635 Y677 I685 I717 V730 L731 A732	K635-L720 HydrophobicContact CB-CB 3.75Å; Y677-L720 WeakPolarHBondContact O-CD2 3.49Å; I685-L720 HydrophobicContact CD1-CD1 4.04Å; I717-L720 HydrophobicContact CG2-CB 4.11Å; L720-V730 HydrophobicContact CD1-CG1 3.63Å; L720-V730 HydrophobicContact CG-CG1 4.23Å; L720-L731 WeakPolarHBondContact CA-O 3.42Å; L720-A732 HydrophobicContact CD1-CB 3.65Å
721	C	96.9	Very high	94.1	Very high	33 Å²	33	33.2 Å²	33.2	22%	0.223	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	140.1	-176.9	-166.3	0	0	0	0	112.2	H719 L731 W765	H719-C721 WeakPolarHBondContact CE1-CB 3.38Å; C721-L731 PolarHBondContact N-O 3.26Å; C721-L731 PolarHBondContact O-N 3.06Å; C721-W765 PolarHBondContact O-NE1 2.99Å
722	R	96.1	Very high	94.6	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.008	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	149	170.8	-63.8	-174.8	176	-112.8	13.7	110.8	C637 I638 D673 S727 L729 V730 E743	C637-R722 HydrophobicContact CB-CG 4.47Å; I638-R722 VanDerWaalsContact O-CD 3.31Å; I638-R722 WeakPolarHBondContact O-CD 3.4Å; D673-R722 IonicContact OD2-NH2 3.48Å; R722-S727 WeakPolarHBondContact CD-O 3.18Å; R722-S727 PolarHBondContact NH1-O 3.31Å; R722-L729 CarbonylContact C-O 3.58Å; R722-L729 WeakPolarHBondContact CA-O 3.3Å; R722-V730 HydrophobicContact CG-CG2 4.15Å; R722-E743 IonicContact CZ-OE2 3.26Å; R722-E743 IonicContact NH1-OE2 3.5Å; R722-E743 PolarHBondContact NH1-OE2 3.37Å; R722-E743 IonicContact NH2-OE2 2.72Å; R722-E743 PolarHBondContact NH2-OE2 2.91Å
723	S	95.9	Very high	95.1	Very high	5 Å²	5	23.6 Å²	23.6	4%	0.035	14%	0.141	C	C	.	.			trans	-65.3	133.4	176.2	172.1	0	0	0	0	110.2	F725 D726 L729	S723-F725 PolarHBondContact O-N 2.95Å; S723-F725 VanDerWaalsContact O-N 3.12Å; S723-F725 PolarHBondContact OG-N 3.25Å; S723-D726 WeakPolarHBondContact CB-O 3.37Å; S723-D726 CarbonylContact O-C 3.5Å; S723-D726 PolarHBondContact O-N 3.15Å; S723-L729 PolarHBondContact N-O 3.37Å
724	P	93.1	Very high	95.2	Very high	71 Å²	71	23 Å²	23	46%	0.461	14%	0.139	S	C	.	.	S	Bend	trans	-63	-13.8	174	-22.1	33.1	0	0	0	114.3	W765	P724-W765 HydrophobicContact CG-CB 4.19Å
725	F	93.5	Very high	95.4	Very high	67 Å²	67	20.1 Å²	20.1	29%	0.294	12%	0.124	S	C	.	.	S	Bend	trans	-109.1	-19	-175.1	-52.3	-84.1	0	0	0	113.8	S723 S766 P767 P770 L845	S723-F725 PolarHBondContact O-N 2.95Å; S723-F725 VanDerWaalsContact O-N 3.12Å; S723-F725 PolarHBondContact OG-N 3.25Å; F725-S766 WeakPolarHBondContact CE2-O 3.33Å; F725-P767 WeakPolarHBondContact CZ-O 3.48Å; F725-P770 HydrophobicContact CB-CB 4.08Å; F725-P770 HydrophobicContact CD1-CB 4.42Å; F725-P770 VanDerWaalsContact CD2-CA 3.47Å; F725-P770 HydrophobicContact CD2-CB 3.62Å; F725-P770 HydrophobicContact CE2-CB 4.11Å; F725-P770 HydrophobicContact CG-CB 3.79Å; F725-L845 HydrophobicContact CB-CD1 3.69Å
726	D	92.8	Very high	95.6	Very high	34 Å²	34	24 Å²	24	18%	0.182	14%	0.136	C	C	.	.			trans	-147.8	107.1	176.5	-178.6	-10.2	0	0	0	108.7	S723 S728 L729	S723-D726 WeakPolarHBondContact CB-O 3.37Å; S723-D726 CarbonylContact O-C 3.5Å; S723-D726 PolarHBondContact O-N 3.15Å; D726-S728 VanDerWaalsContact CG-OG 3.25Å; D726-S728 PolarHBondContact O-N 2.89Å; D726-S728 VanDerWaalsContact O-N 3.12Å; D726-S728 WeakPolarHBondContact OD1-CB 2.99Å; D726-S728 PolarHBondContact OD1-N 3.47Å; D726-S728 PolarHBondContact OD1-OG 2.86Å; D726-S728 PolarHBondContact OD2-OG 3.34Å; D726-L729 HydrophobicContact CB-CD1 4.1Å; D726-L729 HydrophobicContact CB-CG 4.42Å; D726-L729 PolarHBondContact O-N 3.4Å; D726-L729 VanDerWaalsContact O-N 3.11Å
727	S	92.3	Very high	95.6	Very high	39 Å²	39	21.1 Å²	21.1	27%	0.273	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-21.3	-177	71.1	0	0	0	0	112.7	R639 R722 L729	R639-S727 PolarHBondContact NE-OG 2.89Å; R722-S727 WeakPolarHBondContact CD-O 3.18Å; R722-S727 PolarHBondContact NH1-O 3.31Å; S727-L729 VanDerWaalsContact C-N 3.28Å; S727-L729 PolarHBondContact O-N 3.08Å
728	S	93.7	Very high	95.6	Very high	18 Å²	18	21.1 Å²	21.1	13%	0.126	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-18.9	179.1	73.4	0	0	0	0	113	D726 K742 E743	D726-S728 VanDerWaalsContact CG-OG 3.25Å; D726-S728 PolarHBondContact O-N 2.89Å; D726-S728 VanDerWaalsContact O-N 3.12Å; D726-S728 WeakPolarHBondContact OD1-CB 2.99Å; D726-S728 PolarHBondContact OD1-N 3.47Å; D726-S728 PolarHBondContact OD1-OG 2.86Å; D726-S728 PolarHBondContact OD2-OG 3.34Å; S728-K742 CarbonylContact O-C 3.57Å; S728-K742 VanDerWaalsContact O-CA 3.27Å; S728-K742 WeakPolarHBondContact O-CA 3.36Å; S728-E743 PolarHBondContact O-N 3.3Å
729	L	96.6	Very high	95.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	133.8	-177.5	-75	172.1	0	0	0	112.1	R722 S723 D726 S727 M740 W741 K742 I750 F848 I852	R722-L729 CarbonylContact C-O 3.58Å; R722-L729 WeakPolarHBondContact CA-O 3.3Å; S723-L729 PolarHBondContact N-O 3.37Å; D726-L729 HydrophobicContact CB-CD1 4.1Å; D726-L729 HydrophobicContact CB-CG 4.42Å; D726-L729 PolarHBondContact O-N 3.4Å; D726-L729 VanDerWaalsContact O-N 3.11Å; S727-L729 VanDerWaalsContact C-N 3.28Å; S727-L729 PolarHBondContact O-N 3.08Å; L729-M740 HydrophobicContact CD2-CG 4.35Å; L729-W741 CarbonylContact C-O 3.56Å; L729-W741 WeakPolarHBondContact CA-O 3.4Å; L729-K742 HydrophobicContact CD2-CB 4Å; L729-K742 HydrophobicContact CD2-CG 4.41Å; L729-I750 HydrophobicContact CD2-CD1 3.74Å; L729-F848 HydrophobicContact CD1-CE1 3.68Å; L729-F848 HydrophobicContact CD1-CZ 4.22Å; L729-I852 HydrophobicContact CD1-CD1 4.4Å; L729-I852 HydrophobicContact CD1-CG1 3.97Å; L729-I852 HydrophobicContact CD1-CG2 4.32Å; L729-I852 HydrophobicContact CD2-CD1 4.35Å; L729-I852 HydrophobicContact CD2-CG1 4.49Å; L729-I852 HydrophobicContact CD2-CG2 3.87Å
730	V	97.8	Very high	95.7	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	127.3	-179.9	-165	0	0	0	0	110	Y677 L720 R722 M740 W741	Y677-V730 HydrophobicContact CD2-CG2 3.75Å; Y677-V730 HydrophobicContact CE2-CG2 3.74Å; Y677-V730 HydrophobicContact CG-CG2 4.24Å; L720-V730 HydrophobicContact CD1-CG1 3.63Å; L720-V730 HydrophobicContact CG-CG1 4.23Å; R722-V730 HydrophobicContact CG-CG2 4.15Å; V730-M740 CarbonylContact O-C 3.5Å; V730-M740 WeakPolarHBondContact O-CA 3.5Å; V730-W741 HydrophobicContact CB-CB 4.25Å; V730-W741 PolarHBondContact N-O 3.11Å; V730-W741 PolarHBondContact O-N 3.05Å
731	L	98.2	Very high	95.7	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	123.1	171.1	175.8	66	0	0	0	109.3	L720 C721 I733 W738 M740 W765 F773	L720-L731 WeakPolarHBondContact CA-O 3.42Å; C721-L731 PolarHBondContact N-O 3.26Å; C721-L731 PolarHBondContact O-N 3.06Å; L731-I733 HydrophobicContact CD1-CG1 4.38Å; L731-I733 HydrophobicContact CD2-CD1 4.16Å; L731-I733 HydrophobicContact CG-CD1 4.35Å; L731-I733 HydrophobicContact CG-CG1 4.18Å; L731-W738 HydrophobicContact CD1-CB 4.36Å; L731-W738 HydrophobicContact CD1-CE3 3.99Å; L731-M740 HydrophobicContact CD1-CE 4.37Å; L731-W765 HydrophobicContact CB-CD2 4.44Å; L731-W765 VanDerWaalsContact CB-CE2 3.44Å; L731-W765 HydrophobicContact CB-CH2 4.32Å; L731-W765 HydrophobicContact CB-CZ2 3.39Å; L731-W765 HydrophobicContact CD2-CD2 4.21Å; L731-W765 HydrophobicContact CD2-CZ2 4.39Å; L731-W765 HydrophobicContact CG-CZ2 4.44Å; L731-F773 HydrophobicContact CD1-CD2 4.33Å; L731-F773 HydrophobicContact CD1-CE2 4.15Å; L731-F773 HydrophobicContact CD1-CZ 4.33Å; L731-F773 HydrophobicContact CD2-CB 3.88Å; L731-F773 HydrophobicContact CD2-CD1 4.43Å; L731-F773 HydrophobicContact CD2-CD2 3.69Å; L731-F773 HydrophobicContact CD2-CE2 4.33Å; L731-F773 HydrophobicContact CD2-CG 3.75Å
732	A	98.3	Very high	95.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	133.1	172	0	0	0	0	0	109.8	I685 H713 H719 L720 W738 T739	I685-A732 HydrophobicContact CD1-CB 3.68Å; I685-A732 HydrophobicContact CG1-CB 4.27Å; H713-A732 PolarHBondContact CE1-O 3.29Å; H719-A732 CarbonylContact O-C 3.6Å; H719-A732 WeakPolarHBondContact O-CA 3.42Å; L720-A732 HydrophobicContact CD1-CB 3.65Å; A732-W738 CarbonylContact O-C 3.6Å; A732-W738 VanDerWaalsContact O-CA 3.28Å; A732-W738 WeakPolarHBondContact O-CA 3.04Å; A732-T739 PolarHBondContact N-O 2.6Å; A732-T739 PolarHBondContact O-N 2.91Å
733	I	97.7	Very high	95.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	129	176.8	-58.6	168.1	0	0	0	106.9	I717 S718 H719 L731 W738 L760 T775	I717-I733 CarbonylContact C-O 3.55Å; I717-I733 WeakPolarHBondContact CA-O 3.32Å; S718-I733 PolarHBondContact N-O 3.1Å; S718-I733 PolarHBondContact OG-O 3.4Å; H719-I733 HydrophobicContact CB-CB 4.2Å; H719-I733 HydrophobicContact CB-CD1 4.2Å; H719-I733 PolarHBondContact N-O 3.24Å; H719-I733 PolarHBondContact O-N 2.95Å; L731-I733 HydrophobicContact CD1-CG1 4.38Å; L731-I733 HydrophobicContact CD2-CD1 4.16Å; L731-I733 HydrophobicContact CG-CD1 4.35Å; L731-I733 HydrophobicContact CG-CG1 4.18Å; I733-W738 HydrophobicContact CG1-CB 3.88Å; I733-L760 HydrophobicContact CG2-CB 3.61Å; I733-L760 HydrophobicContact CG2-CD1 3.83Å; I733-L760 HydrophobicContact CG2-CG 4.37Å; I733-T775 HydrophobicContact CD1-CG2 3.92Å
734	G	94.3	Very high	95.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.4	145.7	-179	0	0	0	0	0	112.2	H713 P716 W736 I737	H713-G734 PolarHBondContact ND1-N 3.41Å; H713-G734 PolarHBondContact ND1-O 3.33Å; P716-G734 WeakPolarHBondContact O-CA 3.21Å; G734-W736 PolarHBondContact O-N 3.47Å; G734-I737 PolarHBondContact N-O 2.89Å; G734-I737 VanDerWaalsContact N-O 3.14Å; G734-I737 PolarHBondContact O-N 2.94Å
735	G	93.2	Very high	95.1	Very high	6 Å²	6	20.5 Å²	20.5	6%	0.062	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	-120.7	-174.5	0	0	0	0	0	112	D714 P716 L760	D714-G735 WeakPolarHBondContact OD1-CA 3.48Å; P716-G735 PolarHBondContact O-N 3.42Å; G735-L760 PolarHBondContact O-N 3.27Å
736	W	94.9	Very high	94.9	Very high	92 Å²	92	21.9 Å²	21.9	35%	0.348	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	3.3	-177.3	-70.3	-109	0	0	0	113	D714 G734 A756 P759	D714-W736 HydrophobicContact CB-CE3 4.46Å; D714-W736 VanDerWaalsContact CG-CE3 3.44Å; D714-W736 PolarHBondContact OD1-N 2.91Å; D714-W736 VanDerWaalsContact OD2-CE3 3.27Å; G734-W736 PolarHBondContact O-N 3.47Å; W736-A756 WeakPolarHBondContact O-CB 3.26Å; W736-A756 PolarHBondContact O-N 2.91Å; W736-P759 HydrophobicContact CD2-CG 4.41Å; W736-P759 HydrophobicContact CZ2-CG 3.76Å
737	I	95.7	Very high	94.6	Very high	9 Å²	9	22.8 Å²	22.8	5%	0.046	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	159.5	-175.5	65.3	172	0	0	0	112.2	R712 H713 G734 T739 E752 S753 R755	R712-I737 WeakPolarHBondContact O-CD1 3.37Å; H713-I737 PolarHBondContact CE1-O 2.99Å; H713-I737 PolarHBondContact ND1-O 3.25Å; G734-I737 PolarHBondContact N-O 2.89Å; G734-I737 VanDerWaalsContact N-O 3.14Å; G734-I737 PolarHBondContact O-N 2.94Å; I737-T739 HydrophobicContact CD1-CG2 4.1Å; I737-E752 HydrophobicContact CD1-CG 4.27Å; I737-S753 WeakPolarHBondContact CA-OG 3.4Å; I737-R755 HydrophobicContact CG2-CG 4.23Å
738	W	97	Very high	94.5	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	148	162.2	63.6	-97.4	0	0	0	109.5	L731 A732 I733 M740 I751 S753 L760 F773 W785 L787	L731-W738 HydrophobicContact CD1-CB 4.36Å; L731-W738 HydrophobicContact CD1-CE3 3.99Å; A732-W738 CarbonylContact O-C 3.6Å; A732-W738 VanDerWaalsContact O-CA 3.28Å; A732-W738 WeakPolarHBondContact O-CA 3.04Å; I733-W738 HydrophobicContact CG1-CB 3.88Å; W738-M740 HydrophobicContact CZ3-CB 4.24Å; W738-M740 HydrophobicContact CZ3-CE 4.42Å; W738-I751 HydrophobicContact CH2-CB 4.37Å; W738-I751 HydrophobicContact CH2-CG2 3.59Å; W738-I751 HydrophobicContact CZ3-CB 4.18Å; W738-I751 HydrophobicContact CZ3-CG2 3.87Å; W738-S753 VanDerWaalsContact CD1-CB 3.47Å; W738-S753 PolarHBondContact N-OG 3.32Å; W738-S753 PolarHBondContact O-N 3.28Å; W738-S753 PolarHBondContact O-OG 2.88Å; W738-L760 HydrophobicContact CB-CD1 4.44Å; W738-F773 AromaticContact CD2-CE2 3.93Å; W738-F773 HydrophobicContact CD2-CE2 3.93Å; W738-F773 AromaticContact CD2-CZ 3.64Å; W738-F773 HydrophobicContact CD2-CZ 3.64Å; W738-F773 AromaticContact CE2-CZ 3.57Å; W738-F773 HydrophobicContact CE3-CE2 4.38Å; W738-F773 AromaticContact CE3-CZ 3.81Å; W738-F773 HydrophobicContact CE3-CZ 3.81Å; W738-F773 HydrophobicContact CG-CE2 4.11Å; W738-F773 HydrophobicContact CG-CZ 4.32Å; W738-F773 HydrophobicContact CH2-CE1 4.45Å; W738-F773 AromaticContact CH2-CZ 3.92Å; W738-F773 HydrophobicContact CH2-CZ 3.92Å; W738-F773 AromaticContact CZ2-CZ 3.74Å; W738-F773 HydrophobicContact CZ2-CZ 3.74Å; W738-F773 HydrophobicContact CZ3-CE1 4.46Å; W738-F773 AromaticContact CZ3-CZ 3.94Å; W738-F773 HydrophobicContact CZ3-CZ 3.94Å; W738-W785 AromaticContact CD1-CE2 3.85Å; W738-W785 AromaticContact CD1-CZ2 3.88Å; W738-W785 AromaticContact CD1-NE1 3.98Å; W738-W785 AromaticContact CE2-CD2 3.86Å; W738-W785 AromaticContact CE2-CE2 3.94Å; W738-W785 AromaticContact CE2-CE3 3.89Å; W738-W785 AromaticContact CE2-CZ3 3.97Å; W738-W785 AromaticContact CZ2-CD2 3.91Å; W738-W785 HydrophobicContact CZ2-CD2 3.91Å; W738-W785 AromaticContact CZ2-CE3 3.48Å; W738-W785 HydrophobicContact CZ2-CE3 3.48Å; W738-W785 VanDerWaalsContact CZ2-CE3 3.48Å; W738-W785 HydrophobicContact CZ2-CH2 4.04Å; W738-W785 HydrophobicContact CZ2-CZ2 4.45Å; W738-W785 AromaticContact CZ2-CZ3 3.55Å; W738-W785 HydrophobicContact CZ2-CZ3 3.55Å; W738-W785 AromaticContact NE1-CD2 3.43Å; W738-W785 AromaticContact NE1-CE2 3.03Å; W738-W785 AromaticContact NE1-CE3 3.78Å; W738-W785 AromaticContact NE1-CH2 3.39Å; W738-W785 AromaticContact NE1-CZ2 3.03Å; W738-W785 AromaticContact NE1-CZ3 3.75Å; W738-W785 AromaticContact NE1-NE1 3.57Å; W738-L787 HydrophobicContact CH2-CD2 3.74Å; W738-L787 HydrophobicContact CZ2-CD2 4.16Å
739	T	97.4	Very high	94.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	144.5	178.3	59.8	0	0	0	0	110	H713 A732 I737 W741 P749 I751 E752	H713-T739 PolarHBondContact NE2-OG1 2.92Å; A732-T739 PolarHBondContact N-O 2.6Å; A732-T739 PolarHBondContact O-N 2.91Å; I737-T739 HydrophobicContact CD1-CG2 4.1Å; T739-W741 PolarHBondContact OG1-NE1 2.79Å; T739-P749 HydrophobicContact CG2-CB 4.23Å; T739-P749 HydrophobicContact CG2-CG 4.19Å; T739-I751 CarbonylContact C-O 3.6Å; T739-I751 WeakPolarHBondContact CA-O 3.46Å; T739-E752 HydrophobicContact CG2-CB 4.32Å; T739-E752 HydrophobicContact CG2-CG 4.02Å
740	M	97.1	Very high	94.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	124.7	176.7	-168.9	166.4	-64.1	0	0	109.5	L729 V730 L731 W738 P749 I750 I751 W765 F773 L787 F848 I852	L729-M740 HydrophobicContact CD2-CG 4.35Å; V730-M740 CarbonylContact O-C 3.5Å; V730-M740 WeakPolarHBondContact O-CA 3.5Å; L731-M740 HydrophobicContact CD1-CE 4.37Å; W738-M740 HydrophobicContact CZ3-CB 4.24Å; W738-M740 HydrophobicContact CZ3-CE 4.42Å; M740-P749 CarbonylContact O-C 3.54Å; M740-I750 PolarHBondContact O-N 3.02Å; M740-I751 HydrophobicContact CB-CB 4.22Å; M740-I751 PolarHBondContact N-O 2.6Å; M740-I751 PolarHBondContact O-N 3.22Å; M740-W765 HydrophobicContact CE-CH2 3.38Å; M740-W765 HydrophobicContact CE-CZ2 4.16Å; M740-W765 HydrophobicContact CE-CZ3 4.04Å; M740-W765 HydrophobicContact SD-CH2 4.06Å; M740-F773 HydrophobicContact CE-CD1 4.4Å; M740-F773 HydrophobicContact CE-CE1 4.02Å; M740-L787 HydrophobicContact CE-CD1 3.51Å; M740-L787 HydrophobicContact SD-CD1 3.99Å; M740-F848 HydrophobicContact SD-CZ 4.2Å; M740-I852 HydrophobicContact SD-CD1 3.96Å
741	W	96.7	Very high	94.3	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.008	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	153.6	-176.1	-58.5	82.7	0	0	0	110.1	I685 F708 R712 L729 V730 T739 G748 P749	I685-W741 HydrophobicContact CB-CZ2 4.45Å; I685-W741 HydrophobicContact CG1-CZ2 4.26Å; F708-W741 HydrophobicContact CE1-CE3 4.23Å; F708-W741 HydrophobicContact CE1-CH2 4.38Å; F708-W741 AromaticContact CE1-CZ3 3.86Å; F708-W741 HydrophobicContact CE1-CZ3 3.86Å; F708-W741 HydrophobicContact CE2-CZ3 4.44Å; F708-W741 HydrophobicContact CZ-CE3 4.12Å; F708-W741 AromaticContact CZ-CH2 3.9Å; F708-W741 HydrophobicContact CZ-CH2 3.9Å; F708-W741 AromaticContact CZ-CZ3 3.37Å; F708-W741 HydrophobicContact CZ-CZ3 3.37Å; R712-W741 HydrophobicContact CB-CZ2 4.34Å; R712-W741 HydrophobicContact CG-CH2 4.03Å; R712-W741 HydrophobicContact CG-CZ2 4.13Å; L729-W741 CarbonylContact C-O 3.56Å; L729-W741 WeakPolarHBondContact CA-O 3.4Å; V730-W741 HydrophobicContact CB-CB 4.25Å; V730-W741 PolarHBondContact N-O 3.11Å; V730-W741 PolarHBondContact O-N 3.05Å; T739-W741 PolarHBondContact OG1-NE1 2.79Å; W741-G748 VanDerWaalsContact CZ3-CA 3.49Å; W741-P749 HydrophobicContact CD2-CB 4.01Å; W741-P749 HydrophobicContact CE3-CB 4.27Å; W741-P749 HydrophobicContact CH2-CB 4.21Å; W741-P749 VanDerWaalsContact CH2-CD 3.46Å; W741-P749 HydrophobicContact CH2-CG 4.27Å; W741-P749 HydrophobicContact CZ2-CB 3.92Å; W741-P749 HydrophobicContact CZ2-CG 4.17Å; W741-P749 HydrophobicContact CZ3-CB 4.35Å; W741-P749 VanDerWaalsContact CZ3-N 3.26Å
742	K	95.8	Very high	94.1	Very high	26 Å²	26	26.2 Å²	26.2	11%	0.113	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	134.5	168.2	-178.7	177	-171	-174.3	0	109.7	S728 L729 G744 V745 I750 I852 E853 V856	S728-K742 CarbonylContact O-C 3.57Å; S728-K742 VanDerWaalsContact O-CA 3.27Å; S728-K742 WeakPolarHBondContact O-CA 3.36Å; L729-K742 HydrophobicContact CD2-CB 4Å; L729-K742 HydrophobicContact CD2-CG 4.41Å; K742-G744 PolarHBondContact O-N 3.43Å; K742-V745 HydrophobicContact CB-CG2 4.16Å; K742-V745 HydrophobicContact CG-CG2 4.45Å; K742-V745 WeakPolarHBondContact O-CB 3.34Å; K742-V745 PolarHBondContact O-N 3.3Å; K742-I750 HydrophobicContact CB-CD1 3.21Å; K742-I750 HydrophobicContact CB-CG1 4.02Å; K742-I750 HydrophobicContact CD-CD1 4.19Å; K742-I750 HydrophobicContact CG-CD1 4.32Å; K742-I852 HydrophobicContact CD-CG2 4.22Å; K742-E853 IonicContact NZ-OE1 3.79Å; K742-E853 PolarHBondContact NZ-OE1 3.34Å; K742-E853 IonicContact NZ-OE2 3.79Å; K742-E853 PolarHBondContact NZ-OE2 3.09Å; K742-V856 HydrophobicContact CD-CG2 3.88Å
743	E	93.1	Very high	93.9	Very high	41 Å²	41	26.7 Å²	26.7	19%	0.192	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	134.6	175.3	-160.9	179.9	133.4	0	0	110.6	R639 Y677 Y687 R722 S728 V745	R639-E743 IonicContact NH1-OE1 3.55Å; R639-E743 PolarHBondContact NH1-OE1 2.49Å; R639-E743 IonicContact NH1-OE2 3.6Å; R639-E743 PolarHBondContact NH1-OE2 3.39Å; Y677-E743 HydrophobicContact CE2-CG 4.4Å; Y677-E743 WeakPolarHBondContact OH-CA 3.4Å; Y687-E743 HydrophobicContact CE2-CG 4.38Å; Y687-E743 PolarHBondContact OH-OE1 3.49Å; R722-E743 IonicContact CZ-OE2 3.26Å; R722-E743 IonicContact NH1-OE2 3.5Å; R722-E743 PolarHBondContact NH1-OE2 3.37Å; R722-E743 IonicContact NH2-OE2 2.72Å; R722-E743 PolarHBondContact NH2-OE2 2.91Å; S728-E743 PolarHBondContact O-N 3.3Å; E743-V745 VanDerWaalsContact C-N 3.33Å
744	G	90.4	Very high	93.5	Very high	71 Å²	71	29.1 Å²	29.1	73%	0.732	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	86	-13	-173	0	0	0	0	0	115.5	K742	K742-G744 PolarHBondContact O-N 3.43Å
745	V	91.8	Very high	93.3	Very high	26 Å²	26	37 Å²	37	16%	0.158	21%	0.213	C	C	.	.			trans	-96.9	101.5	176.6	-175.7	0	0	0	0	110.3	K742 E743 V856 K859	K742-V745 HydrophobicContact CB-CG2 4.16Å; K742-V745 HydrophobicContact CG-CG2 4.45Å; K742-V745 WeakPolarHBondContact O-CB 3.34Å; K742-V745 PolarHBondContact O-N 3.3Å; E743-V745 VanDerWaalsContact C-N 3.33Å; V745-V856 HydrophobicContact CG2-CG1 4.22Å; V745-V856 HydrophobicContact CG2-CG2 4.31Å; V745-K859 HydrophobicContact CG1-CD 4.02Å
746	T	87.9	Confident	93.2	Very high	96 Å²	96	37.5 Å²	37.5	59%	0.589	22%	0.216	S	C	*	.			trans	-96.9	-8	-176.3	56.3	0	0	0	0	114.5	F708 G748	F708-T746 HydrophobicContact CB-CG2 4.47Å; F708-T746 HydrophobicContact CD2-CG2 4.09Å; F708-T746 VanDerWaalsContact CE2-O 3.3Å; F708-T746 WeakPolarHBondContact CE2-O 3.47Å; F708-T746 HydrophobicContact CG-CG2 4.48Å; T746-G748 PolarHBondContact O-N 2.85Å; T746-G748 VanDerWaalsContact O-N 3.11Å
747	S	87.8	Confident	92.8	Very high	53 Å²	53	39.3 Å²	39.3	37%	0.371	23%	0.232	S	C	.	.	S	Bend	trans	-73.8	3.1	180	55.3	0	0	0	0	114.1	K859	S747-K859 WeakPolarHBondContact O-CE 3.38Å; S747-K859 PolarHBondContact O-NZ 2.9Å; S747-K859 WeakPolarHBondContact OG-CD 3.32Å; S747-K859 WeakPolarHBondContact OG-CE 3.35Å
748	G	90.3	Very high	92.6	Very high	2 Å²	2	43.7 Å²	43.7	2%	0.021	25%	0.251	C	S	.	.	S	Bend	trans	122.2	-173.2	-179.3	0	0	0	0	0	113	W741 T746 K859	W741-G748 VanDerWaalsContact CZ3-CA 3.49Å; T746-G748 PolarHBondContact O-N 2.85Å; T746-G748 VanDerWaalsContact O-N 3.11Å; G748-K859 VanDerWaalsContact C-CE 3.45Å; G748-K859 WeakPolarHBondContact O-CE 3.1Å; G748-K859 PolarHBondContact O-NZ 3.48Å
749	P	94.6	Very high	92.5	Very high	8 Å²	8	45.5 Å²	45.5	5%	0.052	26%	0.263	C	S	.	.			trans	-68.6	148	-178.7	29.3	-33.9	0	0	0	110.9	T739 M740 W741 E752 K859	T739-P749 HydrophobicContact CG2-CB 4.23Å; T739-P749 HydrophobicContact CG2-CG 4.19Å; M740-P749 CarbonylContact O-C 3.54Å; W741-P749 HydrophobicContact CD2-CB 4.01Å; W741-P749 HydrophobicContact CE3-CB 4.27Å; W741-P749 HydrophobicContact CH2-CB 4.21Å; W741-P749 VanDerWaalsContact CH2-CD 3.46Å; W741-P749 HydrophobicContact CH2-CG 4.27Å; W741-P749 HydrophobicContact CZ2-CB 3.92Å; W741-P749 HydrophobicContact CZ2-CG 4.17Å; W741-P749 HydrophobicContact CZ3-CB 4.35Å; W741-P749 VanDerWaalsContact CZ3-N 3.26Å; P749-E752 HydrophobicContact CG-CB 4.2Å; P749-K859 PolarHBondContact O-NZ 2.68Å
750	I	94.1	Very high	92.5	Very high	14 Å²	14	45.9 Å²	45.9	7%	0.072	27%	0.265	C	S	.	.	S	Bend	trans	-66.4	-45.8	174	-55.3	166.8	0	0	0	109.5	L729 M740 K742 I852 E855 V856	L729-I750 HydrophobicContact CD2-CD1 3.74Å; M740-I750 PolarHBondContact O-N 3.02Å; K742-I750 HydrophobicContact CB-CD1 3.21Å; K742-I750 HydrophobicContact CB-CG1 4.02Å; K742-I750 HydrophobicContact CD-CD1 4.19Å; K742-I750 HydrophobicContact CG-CD1 4.32Å; I750-I852 HydrophobicContact CD1-CG2 4Å; I750-E855 HydrophobicContact CG2-CB 3.25Å; I750-E855 HydrophobicContact CG2-CG 4.26Å; I750-V856 HydrophobicContact CD1-CG2 4.27Å; I750-V856 HydrophobicContact CG1-CG2 4.36Å
751	I	94.5	Very high	92.5	Very high	11 Å²	11	47.7 Å²	47.7	6%	0.056	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	135	-180	-50.5	176.5	0	0	0	107.7	W738 T739 M740 L787 T791 Y851 I852	W738-I751 HydrophobicContact CH2-CB 4.37Å; W738-I751 HydrophobicContact CH2-CG2 3.59Å; W738-I751 HydrophobicContact CZ3-CB 4.18Å; W738-I751 HydrophobicContact CZ3-CG2 3.87Å; T739-I751 CarbonylContact C-O 3.6Å; T739-I751 WeakPolarHBondContact CA-O 3.46Å; M740-I751 HydrophobicContact CB-CB 4.22Å; M740-I751 PolarHBondContact N-O 2.6Å; M740-I751 PolarHBondContact O-N 3.22Å; I751-L787 HydrophobicContact CD1-CD1 4.1Å; I751-T791 HydrophobicContact CG2-CG2 3.96Å; I751-Y851 HydrophobicContact CD1-CE1 3.58Å; I751-I852 HydrophobicContact CD1-CD1 4.26Å
752	E	93.2	Very high	92.4	Very high	94 Å²	94	47.9 Å²	47.9	44%	0.439	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	131.8	175.1	179.1	171	-179.7	0	0	107.5	I737 T739 P749	I737-E752 HydrophobicContact CD1-CG 4.27Å; T739-E752 HydrophobicContact CG2-CB 4.32Å; T739-E752 HydrophobicContact CG2-CG 4.02Å; P749-E752 HydrophobicContact CG-CB 4.2Å
753	S	94.2	Very high	92.4	Very high	10 Å²	10	46.8 Å²	46.8	7%	0.07	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-75	155.9	179.5	79.9	0	0	0	0	111.6	I737 W738	I737-S753 WeakPolarHBondContact CA-OG 3.4Å; W738-S753 VanDerWaalsContact CD1-CB 3.47Å; W738-S753 PolarHBondContact N-OG 3.32Å; W738-S753 PolarHBondContact O-N 3.28Å; W738-S753 PolarHBondContact O-OG 2.88Å
754	G	89.2	Confident	92.6	Very high	50 Å²	50	46.1 Å²	46.1	52%	0.515	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-59.7	160.7	158.2	0	0	0	0	0	111	A756	G754-A756 PolarHBondContact O-N 2.84Å
755	R	90.8	Very high	92.9	Very high	167 Å²	167	43.1 Å²	43.1	63%	0.63	24%	0.241	S	C	*	.	P	Polyproline II helix	trans	-64.3	124.7	175.5	-60.9	-169.7	78.2	-167.7	6.2	109.7	D714 I737	D714-R755 IonicContact OD2-CZ 2.99Å; D714-R755 IonicContact OD2-NE 2.68Å; D714-R755 PolarHBondContact OD2-NE 2.79Å; D714-R755 IonicContact OD2-NH2 3.48Å; D714-R755 PolarHBondContact OD2-NH2 2.78Å; I737-R755 HydrophobicContact CG2-CG 4.23Å
756	A	90.6	Very high	93.2	Very high	15 Å²	15	41.9 Å²	41.9	12%	0.124	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-66.8	150.9	174.5	0	0	0	0	0	111	W736 G754 K758 L760	W736-A756 WeakPolarHBondContact O-CB 3.26Å; W736-A756 PolarHBondContact O-N 2.91Å; G754-A756 PolarHBondContact O-N 2.84Å; A756-K758 WeakPolarHBondContact CB-O 3.48Å; A756-K758 PolarHBondContact O-N 3.38Å; A756-K758 VanDerWaalsContact O-N 3.12Å; A756-L760 HydrophobicContact CB-CD2 4.04Å; A756-L760 HydrophobicContact CB-CG 4.26Å
757	N	87.3	Confident	93.4	Very high	130 Å²	130	39.8 Å²	39.8	70%	0.695	22%	0.222	S	C	*	.	S	Bend	trans	-60.4	-24.8	178.3	-67.7	-7.5	0	0	0	112.9
758	K	91.1	Very high	93.7	Very high	102 Å²	102	38.7 Å²	38.7	44%	0.443	21%	0.213	S	C	.	.	S	Bend	trans	-140.9	151.1	178.9	-61.5	-65.5	176.3	-172	0	109.8	A756 R777 V778 D779	A756-K758 WeakPolarHBondContact CB-O 3.48Å; A756-K758 PolarHBondContact O-N 3.38Å; A756-K758 VanDerWaalsContact O-N 3.12Å; K758-R777 HydrophobicContact CB-CB 4.47Å; K758-V778 HydrophobicContact CB-CG1 4.13Å; K758-D779 HydrophobicContact CG-CB 4.08Å
759	P	95.3	Very high	93.9	Very high	38 Å²	38	38.9 Å²	38.9	25%	0.247	21%	0.213	C	C	.	.			trans	-52.2	142.1	176.8	-22.6	24.5	0	0	0	113.5	W736 R777 V778	W736-P759 HydrophobicContact CD2-CG 4.41Å; W736-P759 HydrophobicContact CZ2-CG 3.76Å; P759-R777 WeakPolarHBondContact O-CA 3.43Å; P759-V778 HydrophobicContact CB-CB 4.38Å; P759-V778 HydrophobicContact CB-CG1 4.04Å; P759-V778 HydrophobicContact CG-CG1 3.84Å; P759-V778 PolarHBondContact O-N 3.44Å
760	L	96.7	Very high	94	Very high	8 Å²	8	38.7 Å²	38.7	4%	0.042	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	123.4	177.2	-57.9	179.4	0	0	0	110.5	S718 I733 G735 W738 A756 C776 R777	S718-L760 PolarHBondContact OG-O 3.18Å; I733-L760 HydrophobicContact CG2-CB 3.61Å; I733-L760 HydrophobicContact CG2-CD1 3.83Å; I733-L760 HydrophobicContact CG2-CG 4.37Å; G735-L760 PolarHBondContact O-N 3.27Å; W738-L760 HydrophobicContact CB-CD1 4.44Å; A756-L760 HydrophobicContact CB-CD2 4.04Å; A756-L760 HydrophobicContact CB-CG 4.26Å; L760-C776 CarbonylContact C-O 3.58Å; L760-C776 VanDerWaalsContact CA-O 3.23Å; L760-C776 WeakPolarHBondContact CA-O 3.34Å; L760-R777 HydrophobicContact CD2-CG 3.82Å
761	T	96	Very high	94	Very high	38 Å²	38	38 Å²	38	23%	0.233	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	-9.3	-173.9	55.1	0	0	0	0	114	S718 C776 V778 L805	S718-T761 WeakPolarHBondContact CB-O 3.07Å; T761-C776 PolarHBondContact N-O 3.38Å; T761-C776 PolarHBondContact OG1-O 2.97Å; T761-V778 HydrophobicContact CG2-CB 3.8Å; T761-V778 HydrophobicContact CG2-CG2 4.26Å; T761-L805 WeakPolarHBondContact CB-O 3.19Å; T761-L805 WeakPolarHBondContact CG2-O 3.37Å; T761-L805 PolarHBondContact OG1-O 3.48Å
762	G	95.5	Very high	94.1	Very high	6 Å²	6	37.5 Å²	37.5	6%	0.062	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174	-174.2	175.8	0	0	0	0	0	111.8	S718 T775 C776	S718-G762 PolarHBondContact OG-N 3.26Å; G762-T775 CarbonylContact O-C 3.51Å; G762-T775 WeakPolarHBondContact O-CA 3.16Å; G762-C776 PolarHBondContact O-N 2.65Å
763	G	96.3	Very high	94.3	Very high	3 Å²	3	33 Å²	33	3%	0.031	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175	-175.4	173.7	0	0	0	0	0	112.7	H719 Y774 I808	H719-G763 PolarHBondContact CD2-O 3.38Å; H719-G763 PolarHBondContact NE2-O 3.37Å; H719-G763 VanDerWaalsContact NE2-O 3.15Å; G763-Y774 CarbonylContact C-O 3.51Å; G763-Y774 WeakPolarHBondContact CA-O 3.47Å; G763-I808 WeakPolarHBondContact O-CG2 3.43Å
764	S	97	Very high	94.5	Very high	26 Å²	26	32.6 Å²	32.6	18%	0.182	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	142.3	177.8	-164.8	0	0	0	0	110.5	F773 Y774	S764-F773 WeakPolarHBondContact O-CA 3.16Å; S764-F773 WeakPolarHBondContact O-CB 3.39Å; S764-Y774 PolarHBondContact N-O 2.96Å; S764-Y774 PolarHBondContact O-N 3.21Å
765	W	97.3	Very high	94.9	Very high	9 Å²	9	30.2 Å²	30.2	3%	0.034	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	145.7	168.1	-73.7	105.6	0	0	0	110.6	C721 P724 L731 M740 F773	C721-W765 PolarHBondContact O-NE1 2.99Å; P724-W765 HydrophobicContact CG-CB 4.19Å; L731-W765 HydrophobicContact CB-CD2 4.44Å; L731-W765 VanDerWaalsContact CB-CE2 3.44Å; L731-W765 HydrophobicContact CB-CH2 4.32Å; L731-W765 HydrophobicContact CB-CZ2 3.39Å; L731-W765 HydrophobicContact CD2-CD2 4.21Å; L731-W765 HydrophobicContact CD2-CZ2 4.39Å; L731-W765 HydrophobicContact CG-CZ2 4.44Å; M740-W765 HydrophobicContact CE-CH2 3.38Å; M740-W765 HydrophobicContact CE-CZ2 4.16Å; M740-W765 HydrophobicContact CE-CZ3 4.04Å; M740-W765 HydrophobicContact SD-CH2 4.06Å; W765-F773 HydrophobicContact CD2-CB 4.45Å; W765-F773 HydrophobicContact CE3-CB 4.02Å; W765-F773 HydrophobicContact CZ3-CD1 4.27Å
766	S	96.4	Very high	95.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.127	C	C	.	.			trans	-64.4	131.2	164.8	179.8	0	0	0	0	109.2	F725 T768 R769 V772	F725-S766 WeakPolarHBondContact CE2-O 3.33Å; S766-T768 PolarHBondContact O-N 3.16Å; S766-T768 PolarHBondContact OG-N 3.47Å; S766-T768 PolarHBondContact OG-OG1 3.46Å; S766-R769 WeakPolarHBondContact CB-O 3.3Å; S766-R769 PolarHBondContact OG-N 3.34Å; S766-V772 WeakPolarHBondContact CB-O 3.43Å; S766-V772 PolarHBondContact N-O 2.85Å
767	P	93.9	Very high	95.4	Very high	52 Å²	52	22.3 Å²	22.3	34%	0.338	12%	0.124	S	C	.	.	S	Bend	trans	-76.1	-11.6	177.3	31.1	-34.7	0	0	0	112.4	F725 I810 D812	F725-P767 WeakPolarHBondContact CZ-O 3.48Å; P767-I810 HydrophobicContact CG-CG2 3.93Å; P767-D812 HydrophobicContact CB-CB 4.32Å; P767-D812 HydrophobicContact CG-CB 3.84Å
768	T	93.5	Very high	95.8	Very high	29 Å²	29	18.4 Å²	18.4	18%	0.178	11%	0.105	C	C	.	.	S	Bend	trans	-117.2	-23.8	-173.2	47.5	0	0	0	0	114.4	S766 D812 Q817 Q838	S766-T768 PolarHBondContact O-N 3.16Å; S766-T768 PolarHBondContact OG-N 3.47Å; S766-T768 PolarHBondContact OG-OG1 3.46Å; T768-D812 WeakPolarHBondContact CG2-OD1 3.39Å; T768-Q817 PolarHBondContact OG1-NE2 3.05Å; T768-Q838 WeakPolarHBondContact CB-O 3.4Å; T768-Q838 PolarHBondContact OG1-O 3.18Å
769	R	94.8	Very high	95.8	Very high	6 Å²	6	16.3 Å²	16.3	2%	0.023	10%	0.099	C	C	.	.			trans	-124.8	121.1	-177.7	-70.5	-164.4	66.3	-149.2	-19.3	111.5	S766 S771 V772 D786 R836 L837 T839 P840 E844	S766-R769 WeakPolarHBondContact CB-O 3.3Å; S766-R769 PolarHBondContact OG-N 3.34Å; R769-S771 PolarHBondContact O-N 2.79Å; R769-V772 HydrophobicContact CB-CB 3.9Å; R769-V772 HydrophobicContact CB-CG2 3.75Å; R769-V772 PolarHBondContact O-N 3.29Å; R769-D786 IonicContact CZ-OD2 2.98Å; R769-D786 VanDerWaalsContact CZ-OD2 3.29Å; R769-D786 IonicContact NH1-OD2 3.24Å; R769-D786 PolarHBondContact NH1-OD2 3.45Å; R769-D786 IonicContact NH2-OD1 3.98Å; R769-D786 IonicContact NH2-OD2 3.86Å; R769-D786 PolarHBondContact NH2-OD2 3.2Å; R769-R836 PolarHBondContact NH1-O 2.96Å; R769-L837 WeakPolarHBondContact CD-O 3.34Å; R769-L837 WeakPolarHBondContact CG-O 3.37Å; R769-T839 WeakPolarHBondContact CD-O 3.32Å; R769-P840 HydrophobicContact CG-CB 4.39Å; R769-E844 IonicContact CZ-OE1 2.77Å; R769-E844 IonicContact CZ-OE2 3.38Å; R769-E844 IonicContact NE-OE1 3.58Å; R769-E844 PolarHBondContact NE-OE1 2.91Å; R769-E844 IonicContact NE-OE2 2.7Å; R769-E844 PolarHBondContact NE-OE2 3.47Å; R769-E844 IonicContact NH2-OE1 3.31Å; R769-E844 PolarHBondContact NH2-OE1 3.48Å; R769-E844 IonicContact NH2-OE2 3.65Å
770	P	95.4	Very high	95.8	Very high	5 Å²	5	14.5 Å²	14.5	3%	0.032	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-30.6	-172.4	26.1	-34.4	0	0	0	114.7	F725 V772 E844 L845 F848	F725-P770 HydrophobicContact CB-CB 4.08Å; F725-P770 HydrophobicContact CD1-CB 4.42Å; F725-P770 VanDerWaalsContact CD2-CA 3.47Å; F725-P770 HydrophobicContact CD2-CB 3.62Å; F725-P770 HydrophobicContact CE2-CB 4.11Å; F725-P770 HydrophobicContact CG-CB 3.79Å; P770-V772 VanDerWaalsContact C-N 3.27Å; P770-V772 PolarHBondContact O-N 3.02Å; P770-E844 HydrophobicContact CG-CB 4.29Å; P770-E844 HydrophobicContact CG-CG 3.96Å; P770-L845 HydrophobicContact CB-CD1 3.93Å; P770-L845 HydrophobicContact CG-CB 4.14Å; P770-L845 HydrophobicContact CG-CD1 4.24Å; P770-F848 HydrophobicContact CB-CD1 4.13Å
771	S	95	Very high	95.7	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-1.8	178.3	63.1	0	0	0	0	113.6	R769 D786 L787 E844	R769-S771 PolarHBondContact O-N 2.79Å; S771-D786 WeakPolarHBondContact CB-OD1 3.11Å; S771-D786 WeakPolarHBondContact O-CA 3.46Å; S771-D786 PolarHBondContact OG-OD1 3.11Å; S771-L787 PolarHBondContact O-N 2.87Å; S771-E844 PolarHBondContact OG-OE1 3.35Å
772	V	96.7	Very high	95.7	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	131.8	-171	-178.1	0	0	0	0	111.7	S766 R769 P770 Y774 V784 W785 D786	S766-V772 WeakPolarHBondContact CB-O 3.43Å; S766-V772 PolarHBondContact N-O 2.85Å; R769-V772 HydrophobicContact CB-CB 3.9Å; R769-V772 HydrophobicContact CB-CG2 3.75Å; R769-V772 PolarHBondContact O-N 3.29Å; P770-V772 VanDerWaalsContact C-N 3.27Å; P770-V772 PolarHBondContact O-N 3.02Å; V772-Y774 HydrophobicContact CG1-CE1 4.25Å; V772-Y774 HydrophobicContact CG1-CE2 4.5Å; V772-V784 HydrophobicContact CG1-CG1 4.18Å; V772-W785 WeakPolarHBondContact CA-O 3.22Å; V772-D786 HydrophobicContact CG2-CB 4.03Å
773	F	97.9	Very high	95.7	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	165.8	167.7	63.2	-88.5	0	0	0	110.6	L731 W738 M740 S764 W765 T775 W785 L787	L731-F773 HydrophobicContact CD1-CD2 4.33Å; L731-F773 HydrophobicContact CD1-CE2 4.15Å; L731-F773 HydrophobicContact CD1-CZ 4.33Å; L731-F773 HydrophobicContact CD2-CB 3.88Å; L731-F773 HydrophobicContact CD2-CD1 4.43Å; L731-F773 HydrophobicContact CD2-CD2 3.69Å; L731-F773 HydrophobicContact CD2-CE2 4.33Å; L731-F773 HydrophobicContact CD2-CG 3.75Å; W738-F773 AromaticContact CD2-CE2 3.93Å; W738-F773 HydrophobicContact CD2-CE2 3.93Å; W738-F773 AromaticContact CD2-CZ 3.64Å; W738-F773 HydrophobicContact CD2-CZ 3.64Å; W738-F773 AromaticContact CE2-CZ 3.57Å; W738-F773 HydrophobicContact CE3-CE2 4.38Å; W738-F773 AromaticContact CE3-CZ 3.81Å; W738-F773 HydrophobicContact CE3-CZ 3.81Å; W738-F773 HydrophobicContact CG-CE2 4.11Å; W738-F773 HydrophobicContact CG-CZ 4.32Å; W738-F773 HydrophobicContact CH2-CE1 4.45Å; W738-F773 AromaticContact CH2-CZ 3.92Å; W738-F773 HydrophobicContact CH2-CZ 3.92Å; W738-F773 AromaticContact CZ2-CZ 3.74Å; W738-F773 HydrophobicContact CZ2-CZ 3.74Å; W738-F773 HydrophobicContact CZ3-CE1 4.46Å; W738-F773 AromaticContact CZ3-CZ 3.94Å; W738-F773 HydrophobicContact CZ3-CZ 3.94Å; M740-F773 HydrophobicContact CE-CD1 4.4Å; M740-F773 HydrophobicContact CE-CE1 4.02Å; S764-F773 WeakPolarHBondContact O-CA 3.16Å; S764-F773 WeakPolarHBondContact O-CB 3.39Å; W765-F773 HydrophobicContact CD2-CB 4.45Å; W765-F773 HydrophobicContact CE3-CB 4.02Å; W765-F773 HydrophobicContact CZ3-CD1 4.27Å; F773-T775 HydrophobicContact CD2-CG2 4.1Å; F773-T775 HydrophobicContact CE2-CG2 3.96Å; F773-W785 HydrophobicContact CD1-CB 4.01Å; F773-W785 HydrophobicContact CD2-CB 4.02Å; F773-W785 HydrophobicContact CD2-CG 4.23Å; F773-W785 HydrophobicContact CE1-CB 3.58Å; F773-W785 HydrophobicContact CE1-CG 4.25Å; F773-W785 HydrophobicContact CE2-CB 3.61Å; F773-W785 AromaticContact CE2-CD1 3.51Å; F773-W785 HydrophobicContact CE2-CD2 4.3Å; F773-W785 AromaticContact CE2-CG 3.51Å; F773-W785 HydrophobicContact CE2-CG 3.51Å; F773-W785 HydrophobicContact CG-CB 4.21Å; F773-W785 HydrophobicContact CZ-CB 3.36Å; F773-W785 HydrophobicContact CZ-CD2 4.09Å; F773-W785 AromaticContact CZ-CG 3.52Å; F773-W785 HydrophobicContact CZ-CG 3.52Å; F773-W785 PolarHBondContact N-O 2.97Å; F773-W785 VanDerWaalsContact N-O 3.1Å; F773-W785 PolarHBondContact O-N 3.12Å; F773-L787 HydrophobicContact CE1-CD1 3.96Å; F773-L787 HydrophobicContact CE1-CD2 4.06Å; F773-L787 HydrophobicContact CE1-CG 3.92Å
774	Y	97.8	Very high	95.7	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	143.1	-175.8	-49.1	-82	0	0	0	109.7	F381 G763 S764 V772 E783 V784 I810 I819 L837	F381-Y774 HydrophobicContact CE1-CE1 4.42Å; F381-Y774 HydrophobicContact CZ-CD1 4.07Å; F381-Y774 AromaticContact CZ-CE1 3.82Å; F381-Y774 HydrophobicContact CZ-CE1 3.82Å; G763-Y774 CarbonylContact C-O 3.51Å; G763-Y774 WeakPolarHBondContact CA-O 3.47Å; S764-Y774 PolarHBondContact N-O 2.96Å; S764-Y774 PolarHBondContact O-N 3.21Å; V772-Y774 HydrophobicContact CG1-CE1 4.25Å; V772-Y774 HydrophobicContact CG1-CE2 4.5Å; Y774-E783 WeakPolarHBondContact CA-O 3.37Å; Y774-V784 HydrophobicContact CD1-CB 4.43Å; Y774-V784 HydrophobicContact CD1-CG1 4.2Å; Y774-V784 HydrophobicContact CD1-CG2 4.02Å; Y774-V784 HydrophobicContact CE1-CG1 3.96Å; Y774-V784 HydrophobicContact CE1-CG2 4.17Å; Y774-I810 HydrophobicContact CD2-CD1 3.32Å; Y774-I810 HydrophobicContact CE2-CD1 3.44Å; Y774-I810 VanDerWaalsContact CE2-CD1 3.44Å; Y774-I810 HydrophobicContact CG-CD1 4.4Å; Y774-I819 HydrophobicContact CD1-CD1 3.92Å; Y774-I819 HydrophobicContact CD2-CD1 4.24Å; Y774-I819 HydrophobicContact CE1-CD1 3.91Å; Y774-I819 HydrophobicContact CE2-CD1 4.19Å; Y774-I819 HydrophobicContact CG-CD1 4.08Å; Y774-L837 HydrophobicContact CE1-CD1 4.23Å
775	T	97.8	Very high	95.6	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	150.4	172.4	67.3	0	0	0	0	109.3	I733 G762 F773 I782 E783	I733-T775 HydrophobicContact CD1-CG2 3.92Å; G762-T775 CarbonylContact O-C 3.51Å; G762-T775 WeakPolarHBondContact O-CA 3.16Å; F773-T775 HydrophobicContact CD2-CG2 4.1Å; F773-T775 HydrophobicContact CE2-CG2 3.96Å; T775-I782 CarbonylContact O-C 3.58Å; T775-I782 WeakPolarHBondContact O-CA 3.47Å; T775-E783 PolarHBondContact N-O 3.35Å; T775-E783 PolarHBondContact O-N 3.05Å; T775-E783 WeakPolarHBondContact OG1-CB 3.43Å; T775-E783 VanDerWaalsContact OG1-CG 3.25Å; T775-E783 WeakPolarHBondContact OG1-CG 3.25Å; T775-E783 PolarHBondContact OG1-OE2 2.99Å
776	C	96.9	Very high	95.5	Very high	1 Å²	1	11.5 Å²	11.5	1%	0.007	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	142.8	173.9	-72	0	0	0	0	109.9	L760 T761 G762 L805 I808	L760-C776 CarbonylContact C-O 3.58Å; L760-C776 VanDerWaalsContact CA-O 3.23Å; L760-C776 WeakPolarHBondContact CA-O 3.34Å; T761-C776 PolarHBondContact N-O 3.38Å; T761-C776 PolarHBondContact OG1-O 2.97Å; G762-C776 PolarHBondContact O-N 2.65Å; C776-L805 HydrophobicContact CB-CB 3.98Å; C776-L805 HydrophobicContact CB-CD1 3.96Å; C776-I808 VanDerWaalsContact SG-CB 3.54Å
777	R	94.7	Very high	95.4	Very high	15 Å²	15	11.7 Å²	11.7	6%	0.057	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	155.5	175.9	-72.3	174.8	171.4	-173.4	4.2	111.6	K758 P759 L760 D779 G780 S781 E783	K758-R777 HydrophobicContact CB-CB 4.47Å; P759-R777 WeakPolarHBondContact O-CA 3.43Å; L760-R777 HydrophobicContact CD2-CG 3.82Å; R777-D779 WeakPolarHBondContact CB-OD1 3.31Å; R777-D779 PolarHBondContact O-N 2.83Å; R777-G780 PolarHBondContact O-N 2.96Å; R777-S781 PolarHBondContact N-O 3Å; R777-E783 HydrophobicContact CG-CG 4.35Å; R777-E783 IonicContact CZ-OE1 3.91Å; R777-E783 IonicContact NE-OE1 2.76Å; R777-E783 PolarHBondContact NE-OE1 3.45Å; R777-E783 IonicContact NH2-OE1 3.3Å; R777-E783 PolarHBondContact NH2-OE1 3.48Å
778	V	95	Very high	95.4	Very high	49 Å²	49	12.4 Å²	12.4	30%	0.297	7%	0.068	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-12	176.1	72.6	0	0	0	0	113.9	K758 P759 T761 S804	K758-V778 HydrophobicContact CB-CG1 4.13Å; P759-V778 HydrophobicContact CB-CB 4.38Å; P759-V778 HydrophobicContact CB-CG1 4.04Å; P759-V778 HydrophobicContact CG-CG1 3.84Å; P759-V778 PolarHBondContact O-N 3.44Å; T761-V778 HydrophobicContact CG2-CB 3.8Å; T761-V778 HydrophobicContact CG2-CG2 4.26Å; V778-S804 WeakPolarHBondContact CG2-OG 3.36Å; V778-S804 WeakPolarHBondContact O-CA 3.41Å; V778-S804 WeakPolarHBondContact O-CB 3.27Å; V778-S804 PolarHBondContact O-OG 3.35Å
779	D	92.7	Very high	95.2	Very high	58 Å²	58	14.8 Å²	14.8	31%	0.31	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	4.1	179.6	69	-9.5	0	0	0	113.8	K758 R777 S781	K758-D779 HydrophobicContact CG-CB 4.08Å; R777-D779 WeakPolarHBondContact CB-OD1 3.31Å; R777-D779 PolarHBondContact O-N 2.83Å; D779-S781 VanDerWaalsContact OD1-CB 3.24Å; D779-S781 WeakPolarHBondContact OD1-CB 3.49Å; D779-S781 PolarHBondContact OD1-N 3.13Å; D779-S781 PolarHBondContact OD1-OG 3.4Å; D779-S781 PolarHBondContact OD2-OG 3.41Å
780	G	93.9	Very high	94.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	93.6	7.1	-178.3	0	0	0	0	0	114.6	R777 I800 S801 N803	R777-G780 PolarHBondContact O-N 2.96Å; G780-I800 WeakPolarHBondContact O-CG1 3.32Å; G780-I800 PolarHBondContact O-N 3.32Å; G780-S801 WeakPolarHBondContact CA-O 3.39Å; G780-S801 PolarHBondContact O-N 3.42Å; G780-S801 VanDerWaalsContact O-N 3.14Å; G780-N803 WeakPolarHBondContact CA-O 3.48Å; G780-N803 PolarHBondContact N-O 3.13Å
781	S	95	Very high	94.6	Very high	8 Å²	8	19.5 Å²	19.5	6%	0.056	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	148	-178.8	-50.4	0	0	0	0	113.2	R777 D779 Q798 L805	R777-S781 PolarHBondContact N-O 3Å; D779-S781 VanDerWaalsContact OD1-CB 3.24Å; D779-S781 WeakPolarHBondContact OD1-CB 3.49Å; D779-S781 PolarHBondContact OD1-N 3.13Å; D779-S781 PolarHBondContact OD1-OG 3.4Å; D779-S781 PolarHBondContact OD2-OG 3.41Å; S781-Q798 WeakPolarHBondContact CA-O 3.33Å; S781-L805 WeakPolarHBondContact O-CD1 3.47Å
782	I	95.8	Very high	94.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	134.6	167.3	-62.1	175.2	0	0	0	108.5	F381 T775 I797 Q798 I800 L805 I819 T821	F381-I782 HydrophobicContact CE2-CG2 4.31Å; T775-I782 CarbonylContact O-C 3.58Å; T775-I782 WeakPolarHBondContact O-CA 3.47Å; I782-I797 WeakPolarHBondContact O-CA 3.5Å; I782-Q798 PolarHBondContact N-O 3.12Å; I782-Q798 PolarHBondContact O-N 3.21Å; I782-I800 HydrophobicContact CD1-CD1 3.51Å; I782-I800 HydrophobicContact CD1-CG1 4.16Å; I782-I800 HydrophobicContact CG1-CD1 3.84Å; I782-I800 HydrophobicContact CG1-CG1 4.1Å; I782-L805 HydrophobicContact CG1-CD1 3.85Å; I782-I819 HydrophobicContact CD1-CG2 4.27Å; I782-T821 HydrophobicContact CD1-CG2 3.66Å; I782-T821 HydrophobicContact CG1-CG2 4.33Å
783	E	95.3	Very high	94	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.009	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	144	165.3	-37.4	169.5	148.2	0	0	110.4	Y774 T775 R777 W785 P794 M796 I797	Y774-E783 WeakPolarHBondContact CA-O 3.37Å; T775-E783 PolarHBondContact N-O 3.35Å; T775-E783 PolarHBondContact O-N 3.05Å; T775-E783 WeakPolarHBondContact OG1-CB 3.43Å; T775-E783 VanDerWaalsContact OG1-CG 3.25Å; T775-E783 WeakPolarHBondContact OG1-CG 3.25Å; T775-E783 PolarHBondContact OG1-OE2 2.99Å; R777-E783 HydrophobicContact CG-CG 4.35Å; R777-E783 IonicContact CZ-OE1 3.91Å; R777-E783 IonicContact NE-OE1 2.76Å; R777-E783 PolarHBondContact NE-OE1 3.45Å; R777-E783 IonicContact NH2-OE1 3.3Å; R777-E783 PolarHBondContact NH2-OE1 3.48Å; E783-W785 PolarHBondContact OE2-NE1 3.02Å; E783-P794 HydrophobicContact CB-CB 3.9Å; E783-P794 HydrophobicContact CB-CG 4.45Å; E783-M796 CarbonylContact C-O 3.52Å; E783-M796 WeakPolarHBondContact CA-O 3.19Å; E783-I797 HydrophobicContact CG-CG1 4.46Å
784	V	96	Very high	93.8	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	124.3	171	-173	0	0	0	0	108.2	F381 V772 Y774 P794 T795 M796 L837	F381-V784 HydrophobicContact CE2-CG2 3.55Å; F381-V784 HydrophobicContact CZ-CG2 3.76Å; V772-V784 HydrophobicContact CG1-CG1 4.18Å; Y774-V784 HydrophobicContact CD1-CB 4.43Å; Y774-V784 HydrophobicContact CD1-CG1 4.2Å; Y774-V784 HydrophobicContact CD1-CG2 4.02Å; Y774-V784 HydrophobicContact CE1-CG1 3.96Å; Y774-V784 HydrophobicContact CE1-CG2 4.17Å; V784-P794 CarbonylContact O-C 3.57Å; V784-T795 PolarHBondContact O-N 3Å; V784-M796 HydrophobicContact CB-CB 4.04Å; V784-M796 HydrophobicContact CG2-CB 4.06Å; V784-M796 HydrophobicContact CG2-CG 4.45Å; V784-M796 HydrophobicContact CG2-SD 4.39Å; V784-M796 PolarHBondContact N-O 3.15Å; V784-M796 PolarHBondContact O-N 3.44Å; V784-L837 HydrophobicContact CB-CD1 4.45Å; V784-L837 HydrophobicContact CG1-CD1 3.73Å; V784-L837 HydrophobicContact CG1-CD2 3.69Å; V784-L837 HydrophobicContact CG1-CG 4.35Å; V784-L837 HydrophobicContact CG2-CD1 3.98Å
785	W	96.6	Very high	93.5	Very high	8 Å²	8	33.2 Å²	33.2	3%	0.03	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	126.7	174.5	-68	84.2	0	0	0	108.9	W738 V772 F773 E783 E793 P794	W738-W785 AromaticContact CD1-CE2 3.85Å; W738-W785 AromaticContact CD1-CZ2 3.88Å; W738-W785 AromaticContact CD1-NE1 3.98Å; W738-W785 AromaticContact CE2-CD2 3.86Å; W738-W785 AromaticContact CE2-CE2 3.94Å; W738-W785 AromaticContact CE2-CE3 3.89Å; W738-W785 AromaticContact CE2-CZ3 3.97Å; W738-W785 AromaticContact CZ2-CD2 3.91Å; W738-W785 HydrophobicContact CZ2-CD2 3.91Å; W738-W785 AromaticContact CZ2-CE3 3.48Å; W738-W785 HydrophobicContact CZ2-CE3 3.48Å; W738-W785 VanDerWaalsContact CZ2-CE3 3.48Å; W738-W785 HydrophobicContact CZ2-CH2 4.04Å; W738-W785 HydrophobicContact CZ2-CZ2 4.45Å; W738-W785 AromaticContact CZ2-CZ3 3.55Å; W738-W785 HydrophobicContact CZ2-CZ3 3.55Å; W738-W785 AromaticContact NE1-CD2 3.43Å; W738-W785 AromaticContact NE1-CE2 3.03Å; W738-W785 AromaticContact NE1-CE3 3.78Å; W738-W785 AromaticContact NE1-CH2 3.39Å; W738-W785 AromaticContact NE1-CZ2 3.03Å; W738-W785 AromaticContact NE1-CZ3 3.75Å; W738-W785 AromaticContact NE1-NE1 3.57Å; V772-W785 WeakPolarHBondContact CA-O 3.22Å; F773-W785 HydrophobicContact CD1-CB 4.01Å; F773-W785 HydrophobicContact CD2-CB 4.02Å; F773-W785 HydrophobicContact CD2-CG 4.23Å; F773-W785 HydrophobicContact CE1-CB 3.58Å; F773-W785 HydrophobicContact CE1-CG 4.25Å; F773-W785 HydrophobicContact CE2-CB 3.61Å; F773-W785 AromaticContact CE2-CD1 3.51Å; F773-W785 HydrophobicContact CE2-CD2 4.3Å; F773-W785 AromaticContact CE2-CG 3.51Å; F773-W785 HydrophobicContact CE2-CG 3.51Å; F773-W785 HydrophobicContact CG-CB 4.21Å; F773-W785 HydrophobicContact CZ-CB 3.36Å; F773-W785 HydrophobicContact CZ-CD2 4.09Å; F773-W785 AromaticContact CZ-CG 3.52Å; F773-W785 HydrophobicContact CZ-CG 3.52Å; F773-W785 PolarHBondContact N-O 2.97Å; F773-W785 VanDerWaalsContact N-O 3.1Å; F773-W785 PolarHBondContact O-N 3.12Å; E783-W785 PolarHBondContact OE2-NE1 3.02Å; W785-E793 WeakPolarHBondContact CZ3-O 3.31Å; W785-P794 HydrophobicContact CD2-CB 4.19Å; W785-P794 HydrophobicContact CZ2-CB 4.05Å; W785-P794 HydrophobicContact CZ2-CG 4.25Å
786	D	94.3	Very high	93.1	Very high	8 Å²	8	35.1 Å²	35.1	4%	0.043	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	98.8	166.9	-171.9	-13.5	0	0	0	108.1	R769 S771 V772 L788 D789 K790 T795	R769-D786 IonicContact CZ-OD2 2.98Å; R769-D786 VanDerWaalsContact CZ-OD2 3.29Å; R769-D786 IonicContact NH1-OD2 3.24Å; R769-D786 PolarHBondContact NH1-OD2 3.45Å; R769-D786 IonicContact NH2-OD1 3.98Å; R769-D786 IonicContact NH2-OD2 3.86Å; R769-D786 PolarHBondContact NH2-OD2 3.2Å; S771-D786 WeakPolarHBondContact CB-OD1 3.11Å; S771-D786 WeakPolarHBondContact O-CA 3.46Å; S771-D786 PolarHBondContact OG-OD1 3.11Å; V772-D786 HydrophobicContact CG2-CB 4.03Å; D786-L788 PolarHBondContact O-N 3.12Å; D786-L788 VanDerWaalsContact O-N 3.1Å; D786-L788 PolarHBondContact OD1-N 2.91Å; D786-D789 HydrophobicContact CB-CB 4.02Å; D786-D789 WeakPolarHBondContact O-CA 3.2Å; D786-D789 PolarHBondContact O-N 3.16Å; D786-K790 PolarHBondContact O-N 3.15Å; D786-K790 VanDerWaalsContact O-O 3.09Å; D786-T795 PolarHBondContact N-OG1 3.07Å; D786-T795 VanDerWaalsContact N-OG1 3.16Å
787	L	95	Very high	92.8	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.021	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-13.6	-170.9	-62.7	-177.2	0	0	0	114	W738 M740 I751 S771 F773 T791 F848 Y851	W738-L787 HydrophobicContact CH2-CD2 3.74Å; W738-L787 HydrophobicContact CZ2-CD2 4.16Å; M740-L787 HydrophobicContact CE-CD1 3.51Å; M740-L787 HydrophobicContact SD-CD1 3.99Å; I751-L787 HydrophobicContact CD1-CD1 4.1Å; S771-L787 PolarHBondContact O-N 2.87Å; F773-L787 HydrophobicContact CE1-CD1 3.96Å; F773-L787 HydrophobicContact CE1-CD2 4.06Å; F773-L787 HydrophobicContact CE1-CG 3.92Å; L787-T791 HydrophobicContact CD2-CG2 4.27Å; L787-T791 PolarHBondContact O-OG1 3.43Å; L787-F848 HydrophobicContact CB-CE2 4.28Å; L787-F848 HydrophobicContact CD1-CE2 3.96Å; L787-F848 HydrophobicContact CD1-CZ 4.49Å; L787-Y851 HydrophobicContact CB-CE1 4.46Å
788	L	93.1	Very high	92.7	Very high	67 Å²	67	39.4 Å²	39.4	35%	0.351	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-10	172.3	-69.7	178.3	0	0	0	113	D786 E844 K847 F848	D786-L788 PolarHBondContact O-N 3.12Å; D786-L788 VanDerWaalsContact O-N 3.1Å; D786-L788 PolarHBondContact OD1-N 2.91Å; L788-E844 HydrophobicContact CD1-CG 3.82Å; L788-K847 HydrophobicContact CD1-CB 4.23Å; L788-K847 HydrophobicContact CD2-CB 4.39Å; L788-F848 HydrophobicContact CD1-CB 4.29Å
789	D	89.2	Confident	92.5	Very high	78 Å²	78	41.1 Å²	41.1	42%	0.417	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-59.8	176	-163.6	0.6	0	0	0	110.3	D786 T795 R836	D786-D789 HydrophobicContact CB-CB 4.02Å; D786-D789 WeakPolarHBondContact O-CA 3.2Å; D786-D789 PolarHBondContact O-N 3.16Å; D789-T795 WeakPolarHBondContact OD2-CG2 3.42Å; D789-R836 IonicContact OD2-NH2 3.2Å; D789-R836 PolarHBondContact OD2-NH2 3.29Å
790	K	89.4	Confident	92.4	Very high	66 Å²	66	39.2 Å²	39.2	29%	0.287	20%	0.2	S	C	.	.			trans	-137.4	130.9	177.7	-61.4	-172.2	-178.6	-175.8	0	111.1	D786 E793	D786-K790 PolarHBondContact O-N 3.15Å; D786-K790 VanDerWaalsContact O-O 3.09Å; K790-E793 WeakPolarHBondContact CB-O 3.35Å; K790-E793 HydrophobicContact CD-CG 3.76Å; K790-E793 WeakPolarHBondContact CD-OE1 3.4Å; K790-E793 IonicContact NZ-OE1 3.79Å; K790-E793 PolarHBondContact NZ-OE1 3.41Å
791	T	89.3	Confident	92.3	Very high	45 Å²	45	39.9 Å²	39.9	28%	0.276	21%	0.205	S	C	.	.	S	Bend	trans	-104	-31.1	176.3	-41.8	0	0	0	0	112.7	I751 L787 Y851	I751-T791 HydrophobicContact CG2-CG2 3.96Å; L787-T791 HydrophobicContact CD2-CG2 4.27Å; L787-T791 PolarHBondContact O-OG1 3.43Å; T791-Y851 WeakPolarHBondContact CG2-OH 3.33Å; T791-Y851 PolarHBondContact OG1-OH 3.49Å
792	Y	87.6	Confident	92.1	Very high	168 Å²	168	44.2 Å²	44.2	66%	0.659	24%	0.241	S	C	*	.	S	Bend	trans	-84.4	-17	-172.2	66.2	-89.6	0	0	0	113.7
793	E	90.6	Very high	92.1	Very high	67 Å²	67	46.9 Å²	46.9	31%	0.313	26%	0.255	S	S	.	.	S	Bend	trans	-151.4	158.8	179.5	73	-179	178	0	0	110.1	W785 K790	W785-E793 WeakPolarHBondContact CZ3-O 3.31Å; K790-E793 WeakPolarHBondContact CB-O 3.35Å; K790-E793 HydrophobicContact CD-CG 3.76Å; K790-E793 WeakPolarHBondContact CD-OE1 3.4Å; K790-E793 IonicContact NZ-OE1 3.79Å; K790-E793 PolarHBondContact NZ-OE1 3.41Å
794	P	93.4	Very high	92.1	Very high	22 Å²	22	48.3 Å²	48.3	14%	0.143	27%	0.266	C	S	.	.			trans	-63.7	144.6	176	26.8	-34.7	0	0	0	111.4	E783 V784 W785 M796 I797	E783-P794 HydrophobicContact CB-CB 3.9Å; E783-P794 HydrophobicContact CB-CG 4.45Å; V784-P794 CarbonylContact O-C 3.57Å; W785-P794 HydrophobicContact CD2-CB 4.19Å; W785-P794 HydrophobicContact CZ2-CB 4.05Å; W785-P794 HydrophobicContact CZ2-CG 4.25Å; P794-M796 VanDerWaalsContact C-N 3.28Å; P794-M796 PolarHBondContact O-N 2.61Å; P794-I797 HydrophobicContact CB-CG1 4.17Å; P794-I797 HydrophobicContact CG-CD1 3.66Å; P794-I797 HydrophobicContact CG-CG1 3.62Å
795	T	90.9	Very high	92.1	Very high	30 Å²	30	48.3 Å²	48.3	18%	0.184	27%	0.266	C	S	.	.	S	Bend	trans	-69.3	-29.9	176.9	-48.6	0	0	0	0	111.9	V784 D786 D789	V784-T795 PolarHBondContact O-N 3Å; D786-T795 PolarHBondContact N-OG1 3.07Å; D786-T795 VanDerWaalsContact N-OG1 3.16Å; D789-T795 WeakPolarHBondContact OD2-CG2 3.42Å
796	M	89.8	Confident	92	Very high	40 Å²	40	50 Å²	50	20%	0.197	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	142.9	179	179.3	-178.3	-73.1	0	0	110	N379 E783 V784 P794	N379-M796 HydrophobicContact CB-CE 4.3Å; N379-M796 WeakPolarHBondContact O-CE 3.26Å; E783-M796 CarbonylContact C-O 3.52Å; E783-M796 WeakPolarHBondContact CA-O 3.19Å; V784-M796 HydrophobicContact CB-CB 4.04Å; V784-M796 HydrophobicContact CG2-CB 4.06Å; V784-M796 HydrophobicContact CG2-CG 4.45Å; V784-M796 HydrophobicContact CG2-SD 4.39Å; V784-M796 PolarHBondContact N-O 3.15Å; V784-M796 PolarHBondContact O-N 3.44Å; P794-M796 VanDerWaalsContact C-N 3.28Å; P794-M796 PolarHBondContact O-N 2.61Å
797	I	91.6	Very high	92.1	Very high	68 Å²	68	50 Å²	50	35%	0.349	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	130.7	169.4	-58	173.1	0	0	0	107.3	I782 E783 P794	I782-I797 WeakPolarHBondContact O-CA 3.5Å; E783-I797 HydrophobicContact CG-CG1 4.46Å; P794-I797 HydrophobicContact CB-CG1 4.17Å; P794-I797 HydrophobicContact CG-CD1 3.66Å; P794-I797 HydrophobicContact CG-CG1 3.62Å
798	Q	91.4	Very high	92.2	Very high	39 Å²	39	50.8 Å²	50.8	18%	0.182	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	122.6	176.3	-172.5	171.4	-7.8	0	0	110.7	F381 S781 I782 I800	F381-Q798 HydrophobicContact CD2-CB 4.37Å; F381-Q798 PolarHBondContact O-NE2 3.38Å; S781-Q798 WeakPolarHBondContact CA-O 3.33Å; I782-Q798 PolarHBondContact N-O 3.12Å; I782-Q798 PolarHBondContact O-N 3.21Å; Q798-I800 HydrophobicContact CG-CG2 4.1Å
799	S	91.6	Very high	92.3	Very high	85 Å²	85	48.4 Å²	48.4	59%	0.594	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	122.7	170.1	-175.9	0	0	0	0	109.5
800	I	91.1	Very high	92.6	Very high	18 Å²	18	45.9 Å²	45.9	9%	0.092	26%	0.258	C	S	.	.			trans	-121	-21.5	-174.9	56.5	149.2	0	0	0	113.5	G780 I782 Q798 L805 T821 Q829 F831	G780-I800 WeakPolarHBondContact O-CG1 3.32Å; G780-I800 PolarHBondContact O-N 3.32Å; I782-I800 HydrophobicContact CD1-CD1 3.51Å; I782-I800 HydrophobicContact CD1-CG1 4.16Å; I782-I800 HydrophobicContact CG1-CD1 3.84Å; I782-I800 HydrophobicContact CG1-CG1 4.1Å; Q798-I800 HydrophobicContact CG-CG2 4.1Å; I800-L805 HydrophobicContact CD1-CD1 4Å; I800-L805 HydrophobicContact CD1-CD2 4.03Å; I800-L805 HydrophobicContact CG1-CD1 4.19Å; I800-L805 HydrophobicContact CG1-CD2 4.33Å; I800-T821 HydrophobicContact CD1-CG2 3.66Å; I800-T821 WeakPolarHBondContact CD1-OG1 3.34Å; I800-Q829 PolarHBondContact O-NE2 3.5Å; I800-Q829 PolarHBondContact O-OE1 3.03Å; I800-F831 HydrophobicContact CB-CE1 4.06Å; I800-F831 HydrophobicContact CB-CE2 3.86Å; I800-F831 HydrophobicContact CB-CZ 3.51Å; I800-F831 HydrophobicContact CD1-CD2 4.15Å; I800-F831 HydrophobicContact CD1-CE2 3.51Å; I800-F831 HydrophobicContact CD1-CZ 4.08Å; I800-F831 HydrophobicContact CG1-CE2 4.31Å; I800-F831 HydrophobicContact CG1-CZ 4.42Å; I800-F831 HydrophobicContact CG2-CD1 4.28Å; I800-F831 HydrophobicContact CG2-CE1 3.82Å; I800-F831 HydrophobicContact CG2-CE2 4.11Å; I800-F831 HydrophobicContact CG2-CZ 3.76Å
801	S	91.6	Very high	92.8	Very high	13 Å²	13	44.9 Å²	44.9	9%	0.091	25%	0.252	C	S	.	.			trans	-134.4	154.2	175.7	-176.1	0	0	0	0	109.7	G780 N803	G780-S801 WeakPolarHBondContact CA-O 3.39Å; G780-S801 PolarHBondContact O-N 3.42Å; G780-S801 VanDerWaalsContact O-N 3.14Å; S801-N803 VanDerWaalsContact C-N 3.27Å; S801-N803 PolarHBondContact OG-N 2.85Å; S801-N803 VanDerWaalsContact OG-N 3.1Å
802	A	91.3	Very high	92.8	Very high	100 Å²	100	46.2 Å²	46.2	83%	0.826	26%	0.257	S	S	*	.	S	Bend	trans	-84.5	-6.9	168.9	0	0	0	0	0	112.3
803	N	94.1	Very high	92.6	Very high	55 Å²	55	39.1 Å²	39.1	29%	0.294	23%	0.233	S	C	.	.	S	Bend	trans	-114	161.9	-176.3	-57.5	-53	0	0	0	110.9	G780 S801 L805 D823 I824 Q825	G780-N803 WeakPolarHBondContact CA-O 3.48Å; G780-N803 PolarHBondContact N-O 3.13Å; S801-N803 VanDerWaalsContact C-N 3.27Å; S801-N803 PolarHBondContact OG-N 2.85Å; S801-N803 VanDerWaalsContact OG-N 3.1Å; N803-L805 PolarHBondContact O-N 2.98Å; N803-D823 HydrophobicContact CB-CB 4.09Å; N803-D823 PolarHBondContact ND2-OD2 3.1Å; N803-I824 HydrophobicContact CB-CG2 4.14Å; N803-Q825 HydrophobicContact CB-CG 4.26Å; N803-Q825 WeakPolarHBondContact ND2-CG 3.13Å
804	S	95.2	Very high	92	Very high	32 Å²	32	42 Å²	42	22%	0.224	26%	0.257	C	S	.	.			trans	-59.6	126	176	-53	0	0	0	0	112.4	V778 D823 I824	V778-S804 WeakPolarHBondContact CG2-OG 3.36Å; V778-S804 WeakPolarHBondContact O-CA 3.41Å; V778-S804 WeakPolarHBondContact O-CB 3.27Å; V778-S804 PolarHBondContact O-OG 3.35Å; S804-D823 CarbonylContact O-C 3.5Å; S804-D823 VanDerWaalsContact O-CA 3.29Å; S804-D823 WeakPolarHBondContact O-CA 3.23Å; S804-I824 PolarHBondContact O-N 2.94Å
805	L	96.8	Very high	91.4	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	134.1	170	-57.2	-175.8	0	0	0	109.2	T761 C776 S781 I782 I800 N803 T821 G822	T761-L805 WeakPolarHBondContact CB-O 3.19Å; T761-L805 WeakPolarHBondContact CG2-O 3.37Å; T761-L805 PolarHBondContact OG1-O 3.48Å; C776-L805 HydrophobicContact CB-CB 3.98Å; C776-L805 HydrophobicContact CB-CD1 3.96Å; S781-L805 WeakPolarHBondContact O-CD1 3.47Å; I782-L805 HydrophobicContact CG1-CD1 3.85Å; I800-L805 HydrophobicContact CD1-CD1 4Å; I800-L805 HydrophobicContact CD1-CD2 4.03Å; I800-L805 HydrophobicContact CG1-CD1 4.19Å; I800-L805 HydrophobicContact CG1-CD2 4.33Å; N803-L805 PolarHBondContact O-N 2.98Å; L805-T821 HydrophobicContact CD1-CG2 4.5Å; L805-G822 CarbonylContact C-O 3.56Å; L805-G822 WeakPolarHBondContact CA-O 3.42Å
806	T	95.5	Very high	91.3	Very high	43 Å²	43	54.5 Å²	54.5	26%	0.264	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	-29.4	-176.4	54.7	0	0	0	0	112.7	I398 G822 I824	I398-T806 WeakPolarHBondContact O-CB 3.41Å; I398-T806 PolarHBondContact O-OG1 3.1Å; T806-G822 PolarHBondContact N-O 3.21Å; T806-G822 PolarHBondContact OG1-O 3.47Å; T806-I824 HydrophobicContact CG2-CB 3.96Å; T806-I824 HydrophobicContact CG2-CG1 4.42Å
807	A	95.5	Very high	91.4	Very high	9 Å²	9	52.6 Å²	52.6	7%	0.074	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	149	-179	0	0	0	0	0	111	I398 I401 T821 G822	I398-A807 HydrophobicContact CG2-CB 4.37Å; I401-A807 HydrophobicContact CD1-CB 3.87Å; I401-A807 HydrophobicContact CG1-CB 3.91Å; A807-T821 WeakPolarHBondContact O-CA 3.41Å; A807-G822 PolarHBondContact O-N 2.92Å
808	I	96.6	Very high	91.6	Very high	21 Å²	21	49.8 Å²	49.8	11%	0.108	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	139.7	173.7	-177	167.5	0	0	0	109.7	G763 C776 I819 A820 T821	G763-I808 WeakPolarHBondContact O-CG2 3.43Å; C776-I808 VanDerWaalsContact SG-CB 3.54Å; I808-I819 HydrophobicContact CD1-CG2 3.66Å; I808-I819 HydrophobicContact CG1-CG2 3.75Å; I808-A820 CarbonylContact C-O 3.6Å; I808-A820 VanDerWaalsContact CA-O 3.28Å; I808-A820 WeakPolarHBondContact CA-O 3.24Å; I808-T821 HydrophobicContact CD1-CG2 4.45Å; I808-T821 HydrophobicContact CG1-CG2 4.27Å
809	S	96	Very high	91.8	Very high	16 Å²	16	48 Å²	48	11%	0.112	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	134.8	178.4	-169.3	0	0	0	0	110.7	I401 W403 A820	I401-S809 WeakPolarHBondContact O-CB 3.49Å; I401-S809 PolarHBondContact O-OG 3.04Å; W403-S809 PolarHBondContact NE1-O 2.81Å; W403-S809 PolarHBondContact NE1-OG 3.32Å; S809-A820 PolarHBondContact N-O 3.13Å; S809-A820 WeakPolarHBondContact O-CB 3.46Å; S809-A820 PolarHBondContact O-N 3.05Å
810	I	95.5	Very high	92.1	Very high	26 Å²	26	43.9 Å²	43.9	13%	0.133	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	137	-173.2	-50.4	-170.9	0	0	0	109.9	P767 Y774 Q817 F818 I819	P767-I810 HydrophobicContact CG-CG2 3.93Å; Y774-I810 HydrophobicContact CD2-CD1 3.32Å; Y774-I810 HydrophobicContact CE2-CD1 3.44Å; Y774-I810 VanDerWaalsContact CE2-CD1 3.44Å; Y774-I810 HydrophobicContact CG-CD1 4.4Å; I810-Q817 HydrophobicContact CG2-CG 3.89Å; I810-F818 WeakPolarHBondContact CA-O 3.45Å; I810-F818 WeakPolarHBondContact CG2-O 3.47Å; I810-I819 HydrophobicContact CD1-CD1 4.48Å; I810-I819 HydrophobicContact CD1-CG1 4.23Å; I810-I819 HydrophobicContact CG1-CG1 4.1Å; I810-I819 HydrophobicContact CG2-CG1 4.46Å
811	W	92.4	Very high	92.4	Very high	44 Å²	44	43.1 Å²	43.1	17%	0.167	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	115.7	170.4	-179.1	57.7	0	0	0	110.9	W403 K408 F443 Q817 F818	W403-W811 HydrophobicContact CD2-CB 3.35Å; W403-W811 AromaticContact CD2-CG 3.9Å; W403-W811 HydrophobicContact CD2-CG 3.9Å; W403-W811 HydrophobicContact CE3-CB 3.59Å; W403-W811 HydrophobicContact CE3-CD2 4Å; W403-W811 HydrophobicContact CE3-CE3 4.22Å; W403-W811 AromaticContact CE3-CG 3.73Å; W403-W811 HydrophobicContact CE3-CG 3.73Å; W403-W811 HydrophobicContact CG-CB 3.78Å; W403-W811 HydrophobicContact CG-CG 4.28Å; W403-W811 HydrophobicContact CH2-CB 3.85Å; W403-W811 HydrophobicContact CH2-CE3 4.2Å; W403-W811 HydrophobicContact CZ2-CB 3.62Å; W403-W811 HydrophobicContact CZ3-CB 3.83Å; W403-W811 AromaticContact CZ3-CD2 3.99Å; W403-W811 HydrophobicContact CZ3-CD2 3.99Å; W403-W811 AromaticContact CZ3-CE3 3.72Å; W403-W811 HydrophobicContact CZ3-CE3 3.72Å; W403-W811 HydrophobicContact CZ3-CG 4.05Å; K408-W811 HydrophobicContact CB-CH2 3.86Å; K408-W811 HydrophobicContact CB-CZ2 3.76Å; K408-W811 HydrophobicContact CD-CH2 4.34Å; K408-W811 HydrophobicContact CD-CZ2 4Å; K408-W811 HydrophobicContact CG-CH2 4.26Å; K408-W811 HydrophobicContact CG-CZ2 3.74Å; F443-W811 HydrophobicContact CE2-CE3 4.44Å; F443-W811 AromaticContact CE2-CZ3 3.97Å; F443-W811 HydrophobicContact CE2-CZ3 3.97Å; W811-Q817 WeakPolarHBondContact O-CA 3.45Å; W811-F818 AromaticContact CE3-CD2 3.46Å; W811-F818 HydrophobicContact CE3-CD2 3.46Å; W811-F818 VanDerWaalsContact CE3-CD2 3.46Å; W811-F818 AromaticContact CE3-CE2 3.99Å; W811-F818 HydrophobicContact CE3-CE2 3.99Å; W811-F818 HydrophobicContact CE3-CG 4.33Å; W811-F818 AromaticContact CZ3-CD2 3.68Å; W811-F818 HydrophobicContact CZ3-CD2 3.68Å; W811-F818 AromaticContact CZ3-CE2 3.69Å; W811-F818 HydrophobicContact CZ3-CE2 3.69Å; W811-F818 PolarHBondContact N-O 3.34Å; W811-F818 PolarHBondContact O-N 3.39Å
812	D	89.6	Confident	92.6	Very high	73 Å²	73	42.5 Å²	42.5	39%	0.39	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	130.5	175	-168.4	53.7	0	0	0	110.9	P767 T768 Q817	P767-D812 HydrophobicContact CB-CB 4.32Å; P767-D812 HydrophobicContact CG-CB 3.84Å; T768-D812 WeakPolarHBondContact CG2-OD1 3.39Å; D812-Q817 PolarHBondContact OD1-NE2 3.46Å
813	S	84.6	Confident	92.8	Very high	20 Å²	20	37.8 Å²	37.8	14%	0.14	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	152.5	171.8	90.4	0	0	0	0	109.8	K815 R816	S813-K815 PolarHBondContact O-N 2.84Å; S813-R816 WeakPolarHBondContact CA-O 2.9Å; S813-R816 VanDerWaalsContact CB-O 3.28Å; S813-R816 WeakPolarHBondContact CB-O 3.48Å; S813-R816 PolarHBondContact N-O 3.06Å; S813-R816 VanDerWaalsContact N-O 3.12Å; S813-R816 CarbonylContact O-C 3.55Å; S813-R816 PolarHBondContact O-N 3.16Å; S813-R816 VanDerWaalsContact O-N 3.15Å; S813-R816 VanDerWaalsContact O-O 3.05Å; S813-R816 PolarHBondContact OG-N 2.89Å; S813-R816 PolarHBondContact OG-O 3.3Å
814	P	77.7	Confident	92.8	Very high	127 Å²	127	36.9 Å²	36.9	83%	0.825	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-20.6	-173.7	-27.4	33.7	0	0	0	115.9
815	K	81.5	Confident	92.7	Very high	192 Å²	192	37.8 Å²	37.8	84%	0.835	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.7	-27.7	-178.5	-67.9	-173.8	179.1	-179.6	0	113.7	S813	S813-K815 PolarHBondContact O-N 2.84Å
816	R	87.5	Confident	92.4	Very high	122 Å²	122	37.8 Å²	37.8	46%	0.46	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	141	-171.2	-65.4	-172.3	-178.6	-171.4	-1.2	109.2	S813 F818	S813-R816 WeakPolarHBondContact CA-O 2.9Å; S813-R816 VanDerWaalsContact CB-O 3.28Å; S813-R816 WeakPolarHBondContact CB-O 3.48Å; S813-R816 PolarHBondContact N-O 3.06Å; S813-R816 VanDerWaalsContact N-O 3.12Å; S813-R816 CarbonylContact O-C 3.55Å; S813-R816 PolarHBondContact O-N 3.16Å; S813-R816 VanDerWaalsContact O-N 3.15Å; S813-R816 VanDerWaalsContact O-O 3.05Å; S813-R816 PolarHBondContact OG-N 2.89Å; S813-R816 PolarHBondContact OG-O 3.3Å; R816-F818 HydrophobicContact CB-CD2 4.45Å; R816-F818 HydrophobicContact CB-CE2 3.77Å; R816-F818 HydrophobicContact CB-CZ 4.05Å
817	Q	93.3	Very high	92.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	141.9	168.2	-174.8	177.6	89.9	0	0	109.5	T768 I810 W811 D812 V833 Q838	T768-Q817 PolarHBondContact OG1-NE2 3.05Å; I810-Q817 HydrophobicContact CG2-CG 3.89Å; W811-Q817 WeakPolarHBondContact O-CA 3.45Å; D812-Q817 PolarHBondContact OD1-NE2 3.46Å; Q817-V833 HydrophobicContact CB-CB 4.01Å; Q817-V833 HydrophobicContact CB-CG2 4.06Å; Q817-V833 HydrophobicContact CG-CB 4.21Å; Q817-V833 HydrophobicContact CG-CG2 3.79Å; Q817-V833 PolarHBondContact O-N 2.94Å; Q817-Q838 HydrophobicContact CB-CB 4.28Å
818	F	94.9	Very high	92.3	Very high	10 Å²	10	36.7 Å²	36.7	4%	0.044	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	140	-179.1	-63.7	-89.1	0	0	0	110.5	F384 W403 I810 W811 R816 F831 I832	F384-F818 HydrophobicContact CB-CD1 4.48Å; F384-F818 HydrophobicContact CB-CE1 4.23Å; F384-F818 HydrophobicContact CD1-CD1 4.15Å; F384-F818 AromaticContact CD1-CE1 3.58Å; F384-F818 HydrophobicContact CD1-CE1 3.58Å; F384-F818 HydrophobicContact CD1-CZ 4.4Å; F384-F818 HydrophobicContact CD2-CE1 4.16Å; F384-F818 AromaticContact CE1-CE1 3.94Å; F384-F818 HydrophobicContact CE1-CE1 3.94Å; F384-F818 HydrophobicContact CE1-CZ 4.32Å; F384-F818 HydrophobicContact CE2-CE1 4.48Å; F384-F818 HydrophobicContact CG-CD1 4.36Å; F384-F818 AromaticContact CG-CE1 3.71Å; F384-F818 HydrophobicContact CG-CE1 3.71Å; F384-F818 HydrophobicContact CZ-CE1 4.37Å; W403-F818 HydrophobicContact CH2-CB 3.97Å; W403-F818 HydrophobicContact CZ2-CB 4.23Å; I810-F818 WeakPolarHBondContact CA-O 3.45Å; I810-F818 WeakPolarHBondContact CG2-O 3.47Å; W811-F818 AromaticContact CE3-CD2 3.46Å; W811-F818 HydrophobicContact CE3-CD2 3.46Å; W811-F818 VanDerWaalsContact CE3-CD2 3.46Å; W811-F818 AromaticContact CE3-CE2 3.99Å; W811-F818 HydrophobicContact CE3-CE2 3.99Å; W811-F818 HydrophobicContact CE3-CG 4.33Å; W811-F818 AromaticContact CZ3-CD2 3.68Å; W811-F818 HydrophobicContact CZ3-CD2 3.68Å; W811-F818 AromaticContact CZ3-CE2 3.69Å; W811-F818 HydrophobicContact CZ3-CE2 3.69Å; W811-F818 PolarHBondContact N-O 3.34Å; W811-F818 PolarHBondContact O-N 3.39Å; R816-F818 HydrophobicContact CB-CD2 4.45Å; R816-F818 HydrophobicContact CB-CE2 3.77Å; R816-F818 HydrophobicContact CB-CZ 4.05Å; F818-F831 CarbonylContact C-O 3.51Å; F818-F831 VanDerWaalsContact CA-O 3.27Å; F818-F831 WeakPolarHBondContact CA-O 3.41Å; F818-I832 HydrophobicContact CD1-CG1 4.15Å; F818-I832 HydrophobicContact CE1-CD1 4.48Å; F818-I832 HydrophobicContact CE1-CG1 3.8Å
819	I	96.1	Very high	92.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	124	166.5	-67.7	177.2	0	0	0	107.5	F381 Y774 I782 I808 I810 T821 L830 F831 V833	F381-I819 HydrophobicContact CD1-CD1 4.27Å; F381-I819 HydrophobicContact CE1-CD1 3.41Å; F381-I819 VanDerWaalsContact CE1-CD1 3.41Å; F381-I819 HydrophobicContact CE1-CG1 4.43Å; F381-I819 HydrophobicContact CZ-CD1 3.74Å; Y774-I819 HydrophobicContact CD1-CD1 3.92Å; Y774-I819 HydrophobicContact CD2-CD1 4.24Å; Y774-I819 HydrophobicContact CE1-CD1 3.91Å; Y774-I819 HydrophobicContact CE2-CD1 4.19Å; Y774-I819 HydrophobicContact CG-CD1 4.08Å; I782-I819 HydrophobicContact CD1-CG2 4.27Å; I808-I819 HydrophobicContact CD1-CG2 3.66Å; I808-I819 HydrophobicContact CG1-CG2 3.75Å; I810-I819 HydrophobicContact CD1-CD1 4.48Å; I810-I819 HydrophobicContact CD1-CG1 4.23Å; I810-I819 HydrophobicContact CG1-CG1 4.1Å; I810-I819 HydrophobicContact CG2-CG1 4.46Å; I819-T821 HydrophobicContact CG2-CG2 4Å; I819-L830 WeakPolarHBondContact O-CA 3.32Å; I819-F831 PolarHBondContact N-O 3.07Å; I819-F831 PolarHBondContact O-N 3.33Å; I819-V833 HydrophobicContact CD1-CG2 3.82Å; I819-V833 HydrophobicContact CG1-CG2 3.56Å
820	A	97	Very high	92.3	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	132.1	168.9	0	0	0	0	0	110.1	I401 W403 I808 S809 L828 Q829 L830	I401-A820 HydrophobicContact CG2-CB 3.95Å; W403-A820 HydrophobicContact CZ2-CB 3.57Å; I808-A820 CarbonylContact C-O 3.6Å; I808-A820 VanDerWaalsContact CA-O 3.28Å; I808-A820 WeakPolarHBondContact CA-O 3.24Å; S809-A820 PolarHBondContact N-O 3.13Å; S809-A820 WeakPolarHBondContact O-CB 3.46Å; S809-A820 PolarHBondContact O-N 3.05Å; A820-L828 HydrophobicContact CB-CD1 4.09Å; A820-Q829 CarbonylContact C-O 3.54Å; A820-Q829 WeakPolarHBondContact CA-O 3.41Å; A820-L830 HydrophobicContact CB-CD2 3.35Å
821	T	97.1	Very high	92.3	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	137.4	174.5	53.1	0	0	0	0	110.9	I782 I800 L805 A807 I808 I819 L828 Q829	I782-T821 HydrophobicContact CD1-CG2 3.66Å; I782-T821 HydrophobicContact CG1-CG2 4.33Å; I800-T821 HydrophobicContact CD1-CG2 3.66Å; I800-T821 WeakPolarHBondContact CD1-OG1 3.34Å; L805-T821 HydrophobicContact CD1-CG2 4.5Å; A807-T821 WeakPolarHBondContact O-CA 3.41Å; I808-T821 HydrophobicContact CD1-CG2 4.45Å; I808-T821 HydrophobicContact CG1-CG2 4.27Å; I819-T821 HydrophobicContact CG2-CG2 4Å; T821-L828 CarbonylContact O-C 3.58Å; T821-L828 WeakPolarHBondContact O-CA 3.44Å; T821-Q829 PolarHBondContact N-O 2.92Å; T821-Q829 PolarHBondContact O-N 3.14Å
822	G	95.8	Very high	92.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	144.2	174.7	0	0	0	0	0	109.5	L805 T806 A807	L805-G822 CarbonylContact C-O 3.56Å; L805-G822 WeakPolarHBondContact CA-O 3.42Å; T806-G822 PolarHBondContact N-O 3.21Å; T806-G822 PolarHBondContact OG1-O 3.47Å; A807-G822 PolarHBondContact O-N 2.92Å
823	D	95.3	Very high	92.6	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.011	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	171.7	174.4	80.8	2	0	0	0	113	I398 N803 S804 Q825 G826 V827	I398-D823 PolarHBondContact N-O 2.84Å; N803-D823 HydrophobicContact CB-CB 4.09Å; N803-D823 PolarHBondContact ND2-OD2 3.1Å; S804-D823 CarbonylContact O-C 3.5Å; S804-D823 VanDerWaalsContact O-CA 3.29Å; S804-D823 WeakPolarHBondContact O-CA 3.23Å; D823-Q825 PolarHBondContact O-N 3.11Å; D823-Q825 WeakPolarHBondContact OD1-CA 3.45Å; D823-Q825 PolarHBondContact OD1-N 3.1Å; D823-G826 PolarHBondContact O-N 2.92Å; D823-G826 PolarHBondContact OD1-N 3.01Å; D823-V827 PolarHBondContact N-O 2.95Å; D823-V827 VanDerWaalsContact N-O 3.07Å; D823-V827 WeakPolarHBondContact OD1-CB 3.37Å; D823-V827 PolarHBondContact OD1-N 2.78Å
824	I	94.2	Very high	92.9	Very high	36 Å²	36	30.9 Å²	30.9	19%	0.185	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-6.9	178.3	-158.8	171	0	0	0	113.8	A397 R418 N803 S804 T806	A397-I824 HydrophobicContact CB-CG1 4.15Å; R418-I824 HydrophobicContact CG-CD1 4.15Å; R418-I824 HydrophobicContact CG-CG1 3.92Å; N803-I824 HydrophobicContact CB-CG2 4.14Å; S804-I824 PolarHBondContact O-N 2.94Å; T806-I824 HydrophobicContact CG2-CB 3.96Å; T806-I824 HydrophobicContact CG2-CG1 4.42Å
825	Q	92.9	Very high	93.3	Very high	50 Å²	50	34.4 Å²	34.4	23%	0.234	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-0.4	178.7	-64.9	-62.2	-22.9	0	0	113.4	N395 K396 N803 D823 V827	N395-Q825 PolarHBondContact N-O 3.05Å; K396-Q825 CarbonylContact O-C 3.57Å; N803-Q825 HydrophobicContact CB-CG 4.26Å; N803-Q825 WeakPolarHBondContact ND2-CG 3.13Å; D823-Q825 PolarHBondContact O-N 3.11Å; D823-Q825 WeakPolarHBondContact OD1-CA 3.45Å; D823-Q825 PolarHBondContact OD1-N 3.1Å; Q825-V827 HydrophobicContact CB-CG2 4.45Å
826	G	91.5	Very high	93.6	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.01	13%	0.133	C	C	.	.	S	Bend	trans	87.7	23.9	175.2	0	0	0	0	0	112.6	S393 K396 D823	S393-G826 WeakPolarHBondContact CB-O 3.33Å; S393-G826 WeakPolarHBondContact O-CA 3.17Å; S393-G826 PolarHBondContact OG-O 2.99Å; K396-G826 WeakPolarHBondContact O-CA 3.46Å; K396-G826 PolarHBondContact O-N 3.44Å; D823-G826 PolarHBondContact O-N 2.92Å; D823-G826 PolarHBondContact OD1-N 3.01Å
827	V	94	Very high	93.7	Very high	29 Å²	29	26.1 Å²	26.1	18%	0.176	11%	0.112	C	C	.	.			trans	-100.7	122.1	176.4	-171.6	0	0	0	0	108.8	S386 I398 D823 Q825 Q829	S386-V827 WeakPolarHBondContact OG-CG1 3.47Å; I398-V827 VanDerWaalsContact CD1-C 3.47Å; I398-V827 WeakPolarHBondContact CD1-O 3.31Å; D823-V827 PolarHBondContact N-O 2.95Å; D823-V827 VanDerWaalsContact N-O 3.07Å; D823-V827 WeakPolarHBondContact OD1-CB 3.37Å; D823-V827 PolarHBondContact OD1-N 2.78Å; Q825-V827 HydrophobicContact CB-CG2 4.45Å; V827-Q829 HydrophobicContact CG1-CG 4Å
828	L	95.7	Very high	93.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	117.7	171.8	170.4	73	0	0	0	108.4	S386 F387 I398 I401 I411 T413 W441 A820 T821	S386-L828 CarbonylContact C-O 3.56Å; S386-L828 WeakPolarHBondContact CA-O 3.29Å; F387-L828 HydrophobicContact CB-CB 4.22Å; F387-L828 HydrophobicContact CB-CD2 4.32Å; F387-L828 HydrophobicContact CD2-CB 4.46Å; F387-L828 HydrophobicContact CD2-CD2 3.66Å; F387-L828 HydrophobicContact CD2-CG 4.05Å; F387-L828 HydrophobicContact CE2-CD2 4.33Å; F387-L828 HydrophobicContact CG-CD2 4.24Å; F387-L828 PolarHBondContact N-O 3.1Å; F387-L828 PolarHBondContact O-N 3.44Å; I398-L828 HydrophobicContact CD1-CB 4.05Å; I401-L828 HydrophobicContact CD1-CD1 3.56Å; I401-L828 HydrophobicContact CG1-CD1 4.09Å; I401-L828 HydrophobicContact CG2-CD1 4.11Å; I411-L828 HydrophobicContact CB-CD2 4.3Å; I411-L828 HydrophobicContact CD1-CD2 4.28Å; I411-L828 HydrophobicContact CG2-CD2 3.94Å; T413-L828 HydrophobicContact CG2-CB 4.25Å; T413-L828 HydrophobicContact CG2-CD1 4Å; T413-L828 HydrophobicContact CG2-CD2 3.69Å; T413-L828 HydrophobicContact CG2-CG 4.19Å; W441-L828 HydrophobicContact CG-CD2 4.38Å; A820-L828 HydrophobicContact CB-CD1 4.09Å; T821-L828 CarbonylContact O-C 3.58Å; T821-L828 WeakPolarHBondContact O-CA 3.44Å
829	Q	95.4	Very high	93.1	Very high	22 Å²	22	31.1 Å²	31.1	10%	0.103	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	144.6	176.4	-65.4	175.1	-67.7	0	0	110.9	I800 A820 T821 V827 F831	I800-Q829 PolarHBondContact O-NE2 3.5Å; I800-Q829 PolarHBondContact O-OE1 3.03Å; A820-Q829 CarbonylContact C-O 3.54Å; A820-Q829 WeakPolarHBondContact CA-O 3.41Å; T821-Q829 PolarHBondContact N-O 2.92Å; T821-Q829 PolarHBondContact O-N 3.14Å; V827-Q829 HydrophobicContact CG1-CG 4Å; Q829-F831 HydrophobicContact CB-CD2 4.4Å; Q829-F831 HydrophobicContact CB-CE2 3.49Å; Q829-F831 VanDerWaalsContact CB-CE2 3.49Å; Q829-F831 HydrophobicContact CB-CZ 3.96Å
830	L	95.7	Very high	92.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	133.2	177	-63.6	-173.9	0	0	0	110.6	F384 L385 F387 W403 I411 F443 I819 A820	F384-L830 HydrophobicContact CB-CB 4.28Å; F384-L830 WeakPolarHBondContact CB-O 3.39Å; F384-L830 HydrophobicContact CD1-CB 4.49Å; F384-L830 HydrophobicContact CD1-CD1 4.38Å; F384-L830 PolarHBondContact N-O 3.49Å; L385-L830 HydrophobicContact CB-CB 4.49Å; L385-L830 HydrophobicContact CB-CD1 4.3Å; L385-L830 PolarHBondContact O-N 2.96Å; F387-L830 HydrophobicContact CE2-CD1 3.58Å; F387-L830 HydrophobicContact CE2-CG 3.95Å; F387-L830 HydrophobicContact CZ-CD1 4.24Å; W403-L830 HydrophobicContact CH2-CD1 4.27Å; W403-L830 HydrophobicContact CH2-CD2 3.79Å; W403-L830 HydrophobicContact CZ2-CD2 3.93Å; I411-L830 HydrophobicContact CD1-CD1 3.69Å; I411-L830 HydrophobicContact CD1-CD2 3.53Å; I411-L830 HydrophobicContact CD1-CG 4.14Å; F443-L830 HydrophobicContact CD1-CD1 4.07Å; F443-L830 HydrophobicContact CE1-CD1 3.19Å; F443-L830 HydrophobicContact CZ-CD1 3.5Å; F443-L830 VanDerWaalsContact CZ-CD1 3.5Å; I819-L830 WeakPolarHBondContact O-CA 3.32Å; A820-L830 HydrophobicContact CB-CD2 3.35Å
831	F	95.1	Very high	92.2	Very high	8 Å²	8	39.6 Å²	39.6	4%	0.035	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	141.4	177.3	-61.5	-90.7	0	0	0	111.3	F381 K382 E383 I800 F818 I819 Q829	F381-F831 HydrophobicContact CB-CB 3.93Å; F381-F831 HydrophobicContact CB-CD1 4.15Å; F381-F831 HydrophobicContact CB-CG 4.29Å; F381-F831 HydrophobicContact CD1-CB 4.4Å; F381-F831 HydrophobicContact CG-CB 4.48Å; K382-F831 CarbonylContact O-C 3.47Å; K382-F831 WeakPolarHBondContact O-CA 3.37Å; E383-F831 HydrophobicContact CB-CD1 3.99Å; E383-F831 HydrophobicContact CB-CE1 3.69Å; E383-F831 HydrophobicContact CG-CD1 4.5Å; E383-F831 HydrophobicContact CG-CE1 4Å; E383-F831 HydrophobicContact CG-CZ 4.36Å; I800-F831 HydrophobicContact CB-CE1 4.06Å; I800-F831 HydrophobicContact CB-CE2 3.86Å; I800-F831 HydrophobicContact CB-CZ 3.51Å; I800-F831 HydrophobicContact CD1-CD2 4.15Å; I800-F831 HydrophobicContact CD1-CE2 3.51Å; I800-F831 HydrophobicContact CD1-CZ 4.08Å; I800-F831 HydrophobicContact CG1-CE2 4.31Å; I800-F831 HydrophobicContact CG1-CZ 4.42Å; I800-F831 HydrophobicContact CG2-CD1 4.28Å; I800-F831 HydrophobicContact CG2-CE1 3.82Å; I800-F831 HydrophobicContact CG2-CE2 4.11Å; I800-F831 HydrophobicContact CG2-CZ 3.76Å; F818-F831 CarbonylContact C-O 3.51Å; F818-F831 VanDerWaalsContact CA-O 3.27Å; F818-F831 WeakPolarHBondContact CA-O 3.41Å; I819-F831 PolarHBondContact N-O 3.07Å; I819-F831 PolarHBondContact O-N 3.33Å; Q829-F831 HydrophobicContact CB-CD2 4.4Å; Q829-F831 HydrophobicContact CB-CE2 3.49Å; Q829-F831 VanDerWaalsContact CB-CE2 3.49Å; Q829-F831 HydrophobicContact CB-CZ 3.96Å
832	I	94.1	Very high	91.8	Very high	38 Å²	38	45 Å²	45	20%	0.195	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	126.2	171.3	-55.9	-179.5	0	0	0	108.3	K382 F384 F818	K382-I832 PolarHBondContact N-O 3.43Å; K382-I832 PolarHBondContact O-N 3.38Å; F384-I832 HydrophobicContact CB-CG1 4.03Å; F384-I832 HydrophobicContact CD2-CD1 4.03Å; F384-I832 HydrophobicContact CD2-CG1 4.34Å; F384-I832 HydrophobicContact CG-CG1 4.39Å; F818-I832 HydrophobicContact CD1-CG1 4.15Å; F818-I832 HydrophobicContact CE1-CD1 4.48Å; F818-I832 HydrophobicContact CE1-CG1 3.8Å
833	V	93.9	Very high	91.4	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.012	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-71	128.6	174.2	-176.1	0	0	0	0	109.7	F381 Q817 I819 L837 Q838	F381-V833 HydrophobicContact CE1-CB 4.32Å; F381-V833 HydrophobicContact CE1-CG1 4.17Å; F381-V833 HydrophobicContact CE1-CG2 4.08Å; Q817-V833 HydrophobicContact CB-CB 4.01Å; Q817-V833 HydrophobicContact CB-CG2 4.06Å; Q817-V833 HydrophobicContact CG-CB 4.21Å; Q817-V833 HydrophobicContact CG-CG2 3.79Å; Q817-V833 PolarHBondContact O-N 2.94Å; I819-V833 HydrophobicContact CD1-CG2 3.82Å; I819-V833 HydrophobicContact CG1-CG2 3.56Å; V833-L837 HydrophobicContact CG1-CB 3.69Å; V833-Q838 HydrophobicContact CG1-CB 4.45Å
834	P	91	Very high	91.3	Very high	9 Å²	9	48.5 Å²	48.5	6%	0.058	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-64	148.5	178.3	27	-36	0	0	0	111.3	D378 N379 R836 L837 Q838	D378-P834 WeakPolarHBondContact O-CB 3.47Å; N379-P834 WeakPolarHBondContact O-CG 3.38Å; P834-R836 PolarHBondContact O-N 3.47Å; P834-L837 HydrophobicContact CG-CB 4.33Å; P834-L837 HydrophobicContact CG-CD1 3.62Å; P834-L837 HydrophobicContact CG-CG 3.9Å; P834-L837 PolarHBondContact O-N 3.24Å; P834-Q838 PolarHBondContact O-N 3.01Å
835	R	87.5	Confident	91.3	Very high	201 Å²	201	50.1 Å²	50.1	76%	0.758	26%	0.258	S	S	*	.	H	α-helix	trans	-55	-34	-173.2	-76.7	-170	178.6	178.7	1.5	114	L837 Q838 T839	R835-L837 PolarHBondContact O-N 3.18Å; R835-Q838 WeakPolarHBondContact O-CG 3.42Å; R835-Q838 PolarHBondContact O-N 2.96Å; R835-T839 VanDerWaalsContact O-CB 3.27Å; R835-T839 WeakPolarHBondContact O-CB 3.44Å; R835-T839 PolarHBondContact O-N 2.97Å; R835-T839 PolarHBondContact O-OG1 2.86Å
836	R	86.6	Confident	91.5	Very high	132 Å²	132	54.1 Å²	54.1	50%	0.498	28%	0.275	S	S	.	.	H	α-helix	trans	-60.5	-31.9	177.9	-179.7	-179.5	173.6	172.4	-2.5	112.9	R769 D789 P834	R769-R836 PolarHBondContact NH1-O 2.96Å; D789-R836 IonicContact OD2-NH2 3.2Å; D789-R836 PolarHBondContact OD2-NH2 3.29Å; P834-R836 PolarHBondContact O-N 3.47Å
837	L	89.6	Confident	91.7	Very high	7 Å²	7	59.5 Å²	59.5	4%	0.037	30%	0.298	C	S	.	.	H	α-helix	trans	-91.5	-18.2	-176.8	-59.9	-179.9	0	0	0	113.1	F381 R769 Y774 V784 V833 P834 R835	F381-L837 HydrophobicContact CE1-CD1 4.38Å; F381-L837 HydrophobicContact CZ-CD1 3.95Å; R769-L837 WeakPolarHBondContact CD-O 3.34Å; R769-L837 WeakPolarHBondContact CG-O 3.37Å; Y774-L837 HydrophobicContact CE1-CD1 4.23Å; V784-L837 HydrophobicContact CB-CD1 4.45Å; V784-L837 HydrophobicContact CG1-CD1 3.73Å; V784-L837 HydrophobicContact CG1-CD2 3.69Å; V784-L837 HydrophobicContact CG1-CG 4.35Å; V784-L837 HydrophobicContact CG2-CD1 3.98Å; V833-L837 HydrophobicContact CG1-CB 3.69Å; P834-L837 HydrophobicContact CG-CB 4.33Å; P834-L837 HydrophobicContact CG-CD1 3.62Å; P834-L837 HydrophobicContact CG-CG 3.9Å; P834-L837 PolarHBondContact O-N 3.24Å; R835-L837 PolarHBondContact O-N 3.18Å
838	Q	88.2	Confident	91.8	Very high	38 Å²	38	58.1 Å²	58.1	18%	0.178	29%	0.29	C	S	.	.	H	α-helix	trans	-99.8	-20.7	176.2	56.7	165.2	46.9	0	0	114	T768 Q817 V833 P834 R835 P840	T768-Q838 WeakPolarHBondContact CB-O 3.4Å; T768-Q838 PolarHBondContact OG1-O 3.18Å; Q817-Q838 HydrophobicContact CB-CB 4.28Å; V833-Q838 HydrophobicContact CG1-CB 4.45Å; P834-Q838 PolarHBondContact O-N 3.01Å; R835-Q838 WeakPolarHBondContact O-CG 3.42Å; R835-Q838 PolarHBondContact O-N 2.96Å; Q838-P840 VanDerWaalsContact O-CD 3.28Å; Q838-P840 WeakPolarHBondContact O-CD 3.43Å
839	T	87.9	Confident	91.8	Very high	78 Å²	78	60.4 Å²	60.4	48%	0.479	30%	0.302	S	S	.	.	S	Bend	trans	-91.5	111.1	-175.2	-49.9	0	0	0	0	110.1	R769 R835	R769-T839 WeakPolarHBondContact CD-O 3.32Å; R835-T839 VanDerWaalsContact O-CB 3.27Å; R835-T839 WeakPolarHBondContact O-CB 3.44Å; R835-T839 PolarHBondContact O-N 2.97Å; R835-T839 PolarHBondContact O-OG1 2.86Å
840	P	87.5	Confident	91.8	Very high	75 Å²	75	63.7 Å²	63.7	49%	0.487	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-70	142.7	179.8	28.4	-34.5	0	0	0	111.9	R769 Q838 E844	R769-P840 HydrophobicContact CG-CB 4.39Å; Q838-P840 VanDerWaalsContact O-CD 3.28Å; Q838-P840 WeakPolarHBondContact O-CD 3.43Å; P840-E844 WeakPolarHBondContact CA-OE2 3.47Å
841	L	86.8	Confident	91.9	Very high	103 Å²	103	65.1 Å²	65.1	54%	0.539	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-76.5	149.6	173.8	-63.8	171.5	0	0	0	110.5	S843 E844	L841-S843 PolarHBondContact O-N 3.38Å; L841-E844 HydrophobicContact CB-CB 4.09Å; L841-E844 HydrophobicContact CB-CG 4.41Å; L841-E844 PolarHBondContact N-OE2 3.04Å; L841-E844 VanDerWaalsContact O-CB 3.3Å; L841-E844 WeakPolarHBondContact O-CB 3.15Å; L841-E844 PolarHBondContact O-N 3.3Å; L841-E844 VanDerWaalsContact O-N 3.11Å
842	P	88	Confident	91.9	Very high	113 Å²	113	64.8 Å²	64.8	73%	0.734	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	130	172.6	-22.7	33.1	0	0	0	110.5	E844	P842-E844 PolarHBondContact O-N 3Å
843	S	89.2	Confident	92	Very high	72 Å²	72	67.1 Å²	67.1	50%	0.503	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.4	19.8	-177.5	68.9	0	0	0	0	116	L841 L845 K846 K847	L841-S843 PolarHBondContact O-N 3.38Å; S843-L845 PolarHBondContact O-N 3.43Å; S843-K846 WeakPolarHBondContact O-CB 3.28Å; S843-K846 PolarHBondContact O-N 3.3Å; S843-K846 VanDerWaalsContact O-N 3.11Å; S843-K847 PolarHBondContact O-N 3.25Å
844	E	92.8	Very high	92.2	Very high	5 Å²	5	74 Å²	74	2%	0.023	36%	0.357	C	S	.	.	H	α-helix	trans	-54.5	-48.5	179.5	-166.3	175.5	166.3	0	0	112.6	R769 P770 S771 L788 P840 L841 P842 K846 K847 F848	R769-E844 IonicContact CZ-OE1 2.77Å; R769-E844 IonicContact CZ-OE2 3.38Å; R769-E844 IonicContact NE-OE1 3.58Å; R769-E844 PolarHBondContact NE-OE1 2.91Å; R769-E844 IonicContact NE-OE2 2.7Å; R769-E844 PolarHBondContact NE-OE2 3.47Å; R769-E844 IonicContact NH2-OE1 3.31Å; R769-E844 PolarHBondContact NH2-OE1 3.48Å; R769-E844 IonicContact NH2-OE2 3.65Å; P770-E844 HydrophobicContact CG-CB 4.29Å; P770-E844 HydrophobicContact CG-CG 3.96Å; S771-E844 PolarHBondContact OG-OE1 3.35Å; L788-E844 HydrophobicContact CD1-CG 3.82Å; P840-E844 WeakPolarHBondContact CA-OE2 3.47Å; L841-E844 HydrophobicContact CB-CB 4.09Å; L841-E844 HydrophobicContact CB-CG 4.41Å; L841-E844 PolarHBondContact N-OE2 3.04Å; L841-E844 VanDerWaalsContact O-CB 3.3Å; L841-E844 WeakPolarHBondContact O-CB 3.15Å; L841-E844 PolarHBondContact O-N 3.3Å; L841-E844 VanDerWaalsContact O-N 3.11Å; P842-E844 PolarHBondContact O-N 3Å; E844-K846 VanDerWaalsContact C-N 3.28Å; E844-K846 PolarHBondContact O-N 2.94Å; E844-K847 PolarHBondContact O-N 2.97Å; E844-F848 WeakPolarHBondContact O-CB 3.48Å; E844-F848 PolarHBondContact O-N 2.56Å
845	L	94.7	Very high	92.3	Very high	70 Å²	70	75.3 Å²	75.3	37%	0.366	36%	0.362	S	S	.	.	H	α-helix	trans	-56.4	-42.3	177	-178.9	59	0	0	0	112.3	F725 P770 S843 F848 N849	F725-L845 HydrophobicContact CB-CD1 3.69Å; P770-L845 HydrophobicContact CB-CD1 3.93Å; P770-L845 HydrophobicContact CG-CB 4.14Å; P770-L845 HydrophobicContact CG-CD1 4.24Å; S843-L845 PolarHBondContact O-N 3.43Å; L845-F848 PolarHBondContact O-N 3.38Å; L845-N849 WeakPolarHBondContact O-CB 3.27Å; L845-N849 PolarHBondContact O-N 2.93Å; L845-N849 PolarHBondContact O-OD1 3.32Å
846	K	95.5	Very high	92.7	Very high	134 Å²	134	66.2 Å²	66.2	58%	0.583	33%	0.329	S	S	*	.	H	α-helix	trans	-64.4	-47.6	179.2	-168.1	-168.5	-178.7	-142.2	0	111.1	S843 E844 F848 N849 E850	S843-K846 WeakPolarHBondContact O-CB 3.28Å; S843-K846 PolarHBondContact O-N 3.3Å; S843-K846 VanDerWaalsContact O-N 3.11Å; E844-K846 VanDerWaalsContact C-N 3.28Å; E844-K846 PolarHBondContact O-N 2.94Å; K846-F848 VanDerWaalsContact C-N 3.33Å; K846-F848 PolarHBondContact O-N 3.07Å; K846-N849 PolarHBondContact O-N 3.2Å; K846-E850 WeakPolarHBondContact CE-OE1 3.4Å; K846-E850 IonicContact NZ-OE1 3.42Å; K846-E850 PolarHBondContact NZ-OE1 2.98Å; K846-E850 VanDerWaalsContact NZ-OE1 3.07Å; K846-E850 WeakPolarHBondContact O-CB 3.14Å; K846-E850 WeakPolarHBondContact O-CG 3.35Å; K846-E850 PolarHBondContact O-N 3.48Å
847	K	95.6	Very high	93.2	Very high	113 Å²	113	66.7 Å²	66.7	49%	0.491	34%	0.335	S	S	.	.	H	α-helix	trans	-63.7	-39.8	178.5	-68.9	-179.7	-179.5	179.5	0	112	L788 S843 E844 E850 Y851	L788-K847 HydrophobicContact CD1-CB 4.23Å; L788-K847 HydrophobicContact CD2-CB 4.39Å; S843-K847 PolarHBondContact O-N 3.25Å; E844-K847 PolarHBondContact O-N 2.97Å; K847-E850 PolarHBondContact O-N 3.46Å; K847-Y851 WeakPolarHBondContact O-CB 3.48Å; K847-Y851 PolarHBondContact O-N 2.83Å
848	F	96.2	Very high	93.4	Very high	0 Å²	0	73.9 Å²	73.9	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-62.5	-48.1	176.1	-178.2	-113.1	0	0	0	110.9	L729 M740 P770 L787 L788 E844 L845 K846 E850 Y851 I852	L729-F848 HydrophobicContact CD1-CE1 3.68Å; L729-F848 HydrophobicContact CD1-CZ 4.22Å; M740-F848 HydrophobicContact SD-CZ 4.2Å; P770-F848 HydrophobicContact CB-CD1 4.13Å; L787-F848 HydrophobicContact CB-CE2 4.28Å; L787-F848 HydrophobicContact CD1-CE2 3.96Å; L787-F848 HydrophobicContact CD1-CZ 4.49Å; L788-F848 HydrophobicContact CD1-CB 4.29Å; E844-F848 WeakPolarHBondContact O-CB 3.48Å; E844-F848 PolarHBondContact O-N 2.56Å; L845-F848 PolarHBondContact O-N 3.38Å; K846-F848 VanDerWaalsContact C-N 3.33Å; K846-F848 PolarHBondContact O-N 3.07Å; F848-E850 PolarHBondContact O-N 3.24Å; F848-Y851 WeakPolarHBondContact O-CB 3.3Å; F848-Y851 PolarHBondContact O-N 3.37Å; F848-Y851 VanDerWaalsContact O-N 3.1Å; F848-I852 HydrophobicContact CD1-CG1 4.46Å; F848-I852 HydrophobicContact CE1-CG1 4.1Å; F848-I852 HydrophobicContact CE2-CD1 4.11Å; F848-I852 HydrophobicContact CE2-CG1 4.17Å; F848-I852 HydrophobicContact CZ-CD1 3.95Å; F848-I852 HydrophobicContact CZ-CG1 3.95Å; F848-I852 WeakPolarHBondContact O-CG1 3.05Å; F848-I852 PolarHBondContact O-N 2.82Å
849	N	96.2	Very high	93.5	Very high	49 Å²	49	74 Å²	74	26%	0.262	36%	0.362	S	S	.	.	H	α-helix	trans	-63.1	-42.1	176.6	-66.6	-2.4	0	0	0	111.7	L845 K846 Y851 I852 E853	L845-N849 WeakPolarHBondContact O-CB 3.27Å; L845-N849 PolarHBondContact O-N 2.93Å; L845-N849 PolarHBondContact O-OD1 3.32Å; K846-N849 PolarHBondContact O-N 3.2Å; N849-Y851 VanDerWaalsContact C-N 3.25Å; N849-Y851 PolarHBondContact O-N 3.43Å; N849-I852 PolarHBondContact O-N 2.97Å; N849-E853 WeakPolarHBondContact O-CG 3.35Å; N849-E853 PolarHBondContact O-N 3.22Å
850	E	96.4	Very high	93.6	Very high	91 Å²	91	76.1 Å²	76.1	43%	0.425	37%	0.366	S	S	.	.	H	α-helix	trans	-60	-34.3	174	-74.8	171.6	-171.8	0	0	112.6	K846 K847 F848 R854	K846-E850 WeakPolarHBondContact CE-OE1 3.4Å; K846-E850 IonicContact NZ-OE1 3.42Å; K846-E850 PolarHBondContact NZ-OE1 2.98Å; K846-E850 VanDerWaalsContact NZ-OE1 3.07Å; K846-E850 WeakPolarHBondContact O-CB 3.14Å; K846-E850 WeakPolarHBondContact O-CG 3.35Å; K846-E850 PolarHBondContact O-N 3.48Å; K847-E850 PolarHBondContact O-N 3.46Å; F848-E850 PolarHBondContact O-N 3.24Å; E850-R854 PolarHBondContact O-N 2.92Å
851	Y	96.3	Very high	93.9	Very high	30 Å²	30	78.3 Å²	78.3	12%	0.118	37%	0.368	C	S	.	.	H	α-helix	trans	-69	-47.8	174.1	172.9	-109.5	0	0	0	111.5	I751 L787 T791 K847 F848 N849 E853 R854 E855	I751-Y851 HydrophobicContact CD1-CE1 3.58Å; L787-Y851 HydrophobicContact CB-CE1 4.46Å; T791-Y851 WeakPolarHBondContact CG2-OH 3.33Å; T791-Y851 PolarHBondContact OG1-OH 3.49Å; K847-Y851 WeakPolarHBondContact O-CB 3.48Å; K847-Y851 PolarHBondContact O-N 2.83Å; F848-Y851 WeakPolarHBondContact O-CB 3.3Å; F848-Y851 PolarHBondContact O-N 3.37Å; F848-Y851 VanDerWaalsContact O-N 3.1Å; N849-Y851 VanDerWaalsContact C-N 3.25Å; N849-Y851 PolarHBondContact O-N 3.43Å; Y851-E853 PolarHBondContact O-N 2.78Å; Y851-R854 WeakPolarHBondContact O-CB 3.11Å; Y851-R854 PolarHBondContact O-N 3.42Å; Y851-R854 VanDerWaalsContact O-N 3.13Å; Y851-E855 HydrophobicContact CE1-CG 4.44Å; Y851-E855 HydrophobicContact CE2-CG 4.16Å; Y851-E855 PolarHBondContact O-N 2.71Å; Y851-E855 VanDerWaalsContact O-N 3.1Å
852	I	96.8	Very high	94.1	Very high	1 Å²	1	76.8 Å²	76.8	1%	0.005	36%	0.363	C	S	.	.	H	α-helix	trans	-58.8	-46.6	176.4	-66.5	-60.4	0	0	0	111.5	L729 M740 K742 I750 I751 F848 N849 R854 E855 V856	L729-I852 HydrophobicContact CD1-CD1 4.4Å; L729-I852 HydrophobicContact CD1-CG1 3.97Å; L729-I852 HydrophobicContact CD1-CG2 4.32Å; L729-I852 HydrophobicContact CD2-CD1 4.35Å; L729-I852 HydrophobicContact CD2-CG1 4.49Å; L729-I852 HydrophobicContact CD2-CG2 3.87Å; M740-I852 HydrophobicContact SD-CD1 3.96Å; K742-I852 HydrophobicContact CD-CG2 4.22Å; I750-I852 HydrophobicContact CD1-CG2 4Å; I751-I852 HydrophobicContact CD1-CD1 4.26Å; F848-I852 HydrophobicContact CD1-CG1 4.46Å; F848-I852 HydrophobicContact CE1-CG1 4.1Å; F848-I852 HydrophobicContact CE2-CD1 4.11Å; F848-I852 HydrophobicContact CE2-CG1 4.17Å; F848-I852 HydrophobicContact CZ-CD1 3.95Å; F848-I852 HydrophobicContact CZ-CG1 3.95Å; F848-I852 WeakPolarHBondContact O-CG1 3.05Å; F848-I852 PolarHBondContact O-N 2.82Å; N849-I852 PolarHBondContact O-N 2.97Å; I852-R854 PolarHBondContact O-N 2.8Å; I852-E855 PolarHBondContact O-N 2.68Å; I852-E855 VanDerWaalsContact O-N 3.12Å; I852-V856 WeakPolarHBondContact O-CG2 3.45Å; I852-V856 PolarHBondContact O-N 3.05Å
853	E	96.1	Very high	94.1	Very high	86 Å²	86	73.6 Å²	73.6	40%	0.402	34%	0.343	S	S	.	.	H	α-helix	trans	-61.3	-32.9	177.5	-68.6	-56	156.1	0	0	112.7	K742 N849 Y851 K857	K742-E853 IonicContact NZ-OE1 3.79Å; K742-E853 PolarHBondContact NZ-OE1 3.34Å; K742-E853 IonicContact NZ-OE2 3.79Å; K742-E853 PolarHBondContact NZ-OE2 3.09Å; N849-E853 WeakPolarHBondContact O-CG 3.35Å; N849-E853 PolarHBondContact O-N 3.22Å; Y851-E853 PolarHBondContact O-N 2.78Å; E853-K857 WeakPolarHBondContact O-CG 3.35Å; E853-K857 PolarHBondContact O-N 3.1Å; E853-K857 VanDerWaalsContact O-N 3.11Å
854	R	96.3	Very high	94.3	Very high	148 Å²	148	74.9 Å²	74.9	56%	0.558	34%	0.342	S	S	*	.	H	α-helix	trans	-67.1	-41.5	175.1	-169.5	-172.8	-51	143	11	111.4	E850 Y851 I852 K857 R858	E850-R854 PolarHBondContact O-N 2.92Å; Y851-R854 WeakPolarHBondContact O-CB 3.11Å; Y851-R854 PolarHBondContact O-N 3.42Å; Y851-R854 VanDerWaalsContact O-N 3.13Å; I852-R854 PolarHBondContact O-N 2.8Å; R854-K857 PolarHBondContact O-N 3.43Å; R854-R858 WeakPolarHBondContact O-CB 3.13Å; R854-R858 PolarHBondContact O-N 2.79Å
855	E	95.2	Very high	94.2	Very high	35 Å²	35	78.6 Å²	78.6	16%	0.164	36%	0.356	C	S	.	.	H	α-helix	trans	-68.6	-36.1	177.4	-67.9	-53	128.9	0	0	112.2	I750 Y851 I852 R858 K859	I750-E855 HydrophobicContact CG2-CB 3.25Å; I750-E855 HydrophobicContact CG2-CG 4.26Å; Y851-E855 HydrophobicContact CE1-CG 4.44Å; Y851-E855 HydrophobicContact CE2-CG 4.16Å; Y851-E855 PolarHBondContact O-N 2.71Å; Y851-E855 VanDerWaalsContact O-N 3.1Å; I852-E855 PolarHBondContact O-N 2.68Å; I852-E855 VanDerWaalsContact O-N 3.12Å; E855-R858 PolarHBondContact O-N 2.93Å; E855-R858 WeakPolarHBondContact OE2-CD 3.44Å; E855-R858 IonicContact OE2-NE 2.61Å; E855-R858 PolarHBondContact OE2-NE 3.43Å; E855-K859 WeakPolarHBondContact O-CB 3.31Å; E855-K859 PolarHBondContact O-N 3.18Å
856	V	95.6	Very high	93.8	Very high	11 Å²	11	83 Å²	83	7%	0.067	37%	0.368	C	S	.	.	H	α-helix	trans	-58.7	-51.3	171.5	174.4	0	0	0	0	110.6	K742 V745 I750 I852 R858 K859 E860	K742-V856 HydrophobicContact CD-CG2 3.88Å; V745-V856 HydrophobicContact CG2-CG1 4.22Å; V745-V856 HydrophobicContact CG2-CG2 4.31Å; I750-V856 HydrophobicContact CD1-CG2 4.27Å; I750-V856 HydrophobicContact CG1-CG2 4.36Å; I852-V856 WeakPolarHBondContact O-CG2 3.45Å; I852-V856 PolarHBondContact O-N 3.05Å; V856-R858 VanDerWaalsContact C-N 3.34Å; V856-R858 PolarHBondContact O-N 2.78Å; V856-K859 WeakPolarHBondContact O-CB 3.44Å; V856-K859 PolarHBondContact O-N 3.37Å; V856-K859 VanDerWaalsContact O-N 3.1Å; V856-E860 PolarHBondContact O-N 3.19Å
857	K	95.6	Very high	93.6	Very high	142 Å²	142	82 Å²	82	62%	0.617	37%	0.369	S	S	*	.	H	α-helix	trans	-61.3	-40.2	177.4	-71.7	176.8	-177.4	-179	0	112.9	E853 R854 K859 E860 F861	E853-K857 WeakPolarHBondContact O-CG 3.35Å; E853-K857 PolarHBondContact O-N 3.1Å; E853-K857 VanDerWaalsContact O-N 3.11Å; R854-K857 PolarHBondContact O-N 3.43Å; K857-K859 VanDerWaalsContact C-N 3.27Å; K857-K859 PolarHBondContact O-N 3.11Å; K857-E860 PolarHBondContact O-N 2.88Å; K857-F861 WeakPolarHBondContact O-CB 3.36Å; K857-F861 PolarHBondContact O-N 3.33Å
858	R	94.1	Very high	93.4	Very high	157 Å²	157	80.4 Å²	80.4	59%	0.592	37%	0.366	S	S	*	.	H	α-helix	trans	-58.7	-42.9	174.9	177.8	-176.7	129	88.5	3.6	110.3	R854 E855 V856 F861 V862	R854-R858 WeakPolarHBondContact O-CB 3.13Å; R854-R858 PolarHBondContact O-N 2.79Å; E855-R858 PolarHBondContact O-N 2.93Å; E855-R858 WeakPolarHBondContact OE2-CD 3.44Å; E855-R858 IonicContact OE2-NE 2.61Å; E855-R858 PolarHBondContact OE2-NE 3.43Å; V856-R858 VanDerWaalsContact C-N 3.34Å; V856-R858 PolarHBondContact O-N 2.78Å; R858-F861 WeakPolarHBondContact O-CB 3.37Å; R858-F861 PolarHBondContact O-N 2.89Å; R858-V862 WeakPolarHBondContact O-CG2 3.44Å; R858-V862 PolarHBondContact O-N 2.64Å
859	K	90	Very high	93.2	Very high	41 Å²	41	86.6 Å²	86.6	18%	0.178	39%	0.389	C	S	.	.	H	α-helix	trans	-67.8	-44.8	-179.9	-163.7	179.4	179.4	88.2	0	112.3	V745 S747 G748 P749 E855 V856 K857 F861 V862 S863	V745-K859 HydrophobicContact CG1-CD 4.02Å; S747-K859 WeakPolarHBondContact O-CE 3.38Å; S747-K859 PolarHBondContact O-NZ 2.9Å; S747-K859 WeakPolarHBondContact OG-CD 3.32Å; S747-K859 WeakPolarHBondContact OG-CE 3.35Å; G748-K859 VanDerWaalsContact C-CE 3.45Å; G748-K859 WeakPolarHBondContact O-CE 3.1Å; G748-K859 PolarHBondContact O-NZ 3.48Å; P749-K859 PolarHBondContact O-NZ 2.68Å; E855-K859 WeakPolarHBondContact O-CB 3.31Å; E855-K859 PolarHBondContact O-N 3.18Å; V856-K859 WeakPolarHBondContact O-CB 3.44Å; V856-K859 PolarHBondContact O-N 3.37Å; V856-K859 VanDerWaalsContact O-N 3.1Å; K857-K859 VanDerWaalsContact C-N 3.27Å; K857-K859 PolarHBondContact O-N 3.11Å; K859-F861 VanDerWaalsContact C-N 3.29Å; K859-F861 PolarHBondContact O-N 3.19Å; K859-V862 PolarHBondContact O-N 3.4Å; K859-V862 VanDerWaalsContact O-N 3.17Å; K859-S863 PolarHBondContact O-N 3.27Å
860	E	91.9	Very high	92.9	Very high	123 Å²	123	88.1 Å²	88.1	58%	0.575	40%	0.395	S	S	*	.	H	α-helix	trans	-56.4	-44.9	172.7	-70.7	173.9	169	0	0	111.4	V856 K857 V862 S863 M864	V856-E860 PolarHBondContact O-N 3.19Å; K857-E860 PolarHBondContact O-N 2.88Å; E860-V862 PolarHBondContact O-N 2.81Å; E860-S863 PolarHBondContact O-N 3.12Å; E860-M864 WeakPolarHBondContact O-CB 3.39Å; E860-M864 PolarHBondContact O-N 2.99Å
861	F	92.5	Very high	92.6	Very high	121 Å²	121	88.3 Å²	88.3	53%	0.531	40%	0.396	S	S	.	.	H	α-helix	trans	-60.7	-43.3	176	176.4	-98	0	0	0	112.2	K857 R858 K859 M864 R865	K857-F861 WeakPolarHBondContact O-CB 3.36Å; K857-F861 PolarHBondContact O-N 3.33Å; R858-F861 WeakPolarHBondContact O-CB 3.37Å; R858-F861 PolarHBondContact O-N 2.89Å; K859-F861 VanDerWaalsContact C-N 3.29Å; K859-F861 PolarHBondContact O-N 3.19Å; F861-M864 HydrophobicContact CD2-CE 4.01Å; F861-M864 HydrophobicContact CE2-CE 4.21Å; F861-M864 PolarHBondContact O-N 3.36Å; F861-R865 HydrophobicContact CD1-CG 4.3Å; F861-R865 HydrophobicContact CE1-CG 3.88Å; F861-R865 HydrophobicContact CE2-CG 4.19Å; F861-R865 HydrophobicContact CZ-CG 3.82Å; F861-R865 WeakPolarHBondContact O-CB 3.41Å; F861-R865 VanDerWaalsContact O-CG 3.31Å; F861-R865 WeakPolarHBondContact O-CG 3.44Å; F861-R865 PolarHBondContact O-N 2.87Å
862	V	90.3	Very high	92.3	Very high	71 Å²	71	91.9 Å²	91.9	43%	0.43	41%	0.413	S	S	.	.	H	α-helix	trans	-63.7	-44.9	176.8	170.8	0	0	0	0	111.2	R858 K859 E860 R865 W866	R858-V862 WeakPolarHBondContact O-CG2 3.44Å; R858-V862 PolarHBondContact O-N 2.64Å; K859-V862 PolarHBondContact O-N 3.4Å; K859-V862 VanDerWaalsContact O-N 3.17Å; E860-V862 PolarHBondContact O-N 2.81Å; V862-R865 PolarHBondContact O-N 3.46Å; V862-W866 PolarHBondContact O-N 2.9Å
863	S	89.4	Confident	92	Very high	45 Å²	45	96.6 Å²	96.6	32%	0.315	43%	0.434	S	S	.	.	H	α-helix	trans	-61.4	-44.5	176	-74.1	0	0	0	0	112	K859 E860 R865 W866 N867	K859-S863 PolarHBondContact O-N 3.27Å; E860-S863 PolarHBondContact O-N 3.12Å; S863-R865 VanDerWaalsContact C-N 3.32Å; S863-R865 PolarHBondContact O-N 3.34Å; S863-W866 WeakPolarHBondContact O-CB 3.48Å; S863-W866 PolarHBondContact O-N 3.33Å; S863-W866 VanDerWaalsContact O-N 3.15Å; S863-N867 PolarHBondContact O-N 3.45Å; S863-N867 PolarHBondContact O-ND2 3.02Å
864	M	92.1	Very high	91.6	Very high	99 Å²	99	96.4 Å²	96.4	49%	0.488	44%	0.435	S	S	.	.	H	α-helix	trans	-58.7	-44.2	174.8	-175.5	-173.2	76.4	0	0	111.4	E860 F861 W866 N867 L868	E860-M864 WeakPolarHBondContact O-CB 3.39Å; E860-M864 PolarHBondContact O-N 2.99Å; F861-M864 HydrophobicContact CD2-CE 4.01Å; F861-M864 HydrophobicContact CE2-CE 4.21Å; F861-M864 PolarHBondContact O-N 3.36Å; M864-W866 VanDerWaalsContact C-N 3.32Å; M864-W866 PolarHBondContact O-N 2.83Å; M864-N867 PolarHBondContact O-N 3.46Å; M864-L868 WeakPolarHBondContact O-CG 3.38Å; M864-L868 PolarHBondContact O-N 3.3Å
865	R	92.2	Very high	91.2	Very high	83 Å²	83	94.7 Å²	94.7	31%	0.313	43%	0.433	S	S	.	.	H	α-helix	trans	-64.5	-34.7	176.6	-73.3	-67.7	-66.7	144.9	-3.2	112.6	F861 V862 S863 R869	F861-R865 HydrophobicContact CD1-CG 4.3Å; F861-R865 HydrophobicContact CE1-CG 3.88Å; F861-R865 HydrophobicContact CE2-CG 4.19Å; F861-R865 HydrophobicContact CZ-CG 3.82Å; F861-R865 WeakPolarHBondContact O-CB 3.41Å; F861-R865 VanDerWaalsContact O-CG 3.31Å; F861-R865 WeakPolarHBondContact O-CG 3.44Å; F861-R865 PolarHBondContact O-N 2.87Å; V862-R865 PolarHBondContact O-N 3.46Å; S863-R865 VanDerWaalsContact C-N 3.32Å; S863-R865 PolarHBondContact O-N 3.34Å; R865-R869 WeakPolarHBondContact O-CG 3.49Å; R865-R869 PolarHBondContact O-N 3.36Å; R865-R869 VanDerWaalsContact O-N 3.12Å
866	W	86.5	Confident	90.7	Very high	164 Å²	164	99.1 Å²	99.1	62%	0.621	45%	0.453	S	S	*	.	H	α-helix	trans	-66.7	-45.3	175.1	-161.2	-74	0	0	0	111.6	V862 S863 M864 L868 R869 E870	V862-W866 PolarHBondContact O-N 2.9Å; S863-W866 WeakPolarHBondContact O-CB 3.48Å; S863-W866 PolarHBondContact O-N 3.33Å; S863-W866 VanDerWaalsContact O-N 3.15Å; M864-W866 VanDerWaalsContact C-N 3.32Å; M864-W866 PolarHBondContact O-N 2.83Å; W866-L868 VanDerWaalsContact C-N 3.3Å; W866-L868 PolarHBondContact O-N 3.44Å; W866-R869 PolarHBondContact O-N 3.49Å; W866-R869 VanDerWaalsContact O-N 3.16Å; W866-E870 PolarHBondContact O-N 2.95Å
867	N	91.2	Very high	90.2	Very high	112 Å²	112	102.7 Å²	102.7	60%	0.599	47%	0.469	S	S	*	.	H	α-helix	trans	-60.7	-40.2	177.4	-67.7	-21.5	0	0	0	112	S863 M864 E870 Q871	S863-N867 PolarHBondContact O-N 3.45Å; S863-N867 PolarHBondContact O-ND2 3.02Å; M864-N867 PolarHBondContact O-N 3.46Å; N867-E870 PolarHBondContact O-N 2.92Å; N867-Q871 WeakPolarHBondContact O-CB 3.49Å; N867-Q871 PolarHBondContact O-N 3.24Å
868	L	91.7	Very high	89.5	Confident	80 Å²	80	98.5 Å²	98.5	42%	0.419	46%	0.461	S	S	.	.	H	α-helix	trans	-63.1	-43.3	174.5	-72.3	172.3	0	0	0	112.3	M864 W866 Q871 E872	M864-L868 WeakPolarHBondContact O-CG 3.38Å; M864-L868 PolarHBondContact O-N 3.3Å; W866-L868 VanDerWaalsContact C-N 3.3Å; W866-L868 PolarHBondContact O-N 3.44Å; L868-Q871 PolarHBondContact O-N 3.04Å; L868-E872 WeakPolarHBondContact O-CB 3.25Å; L868-E872 WeakPolarHBondContact O-CG 3.37Å; L868-E872 PolarHBondContact O-N 3.36Å
869	R	91.2	Very high	88.9	Confident	129 Å²	129	93.7 Å²	93.7	49%	0.487	45%	0.445	S	S	.	.	H	α-helix	trans	-65.5	-38.6	177.3	-73.9	180	-176.8	124.9	-8.1	112.5	R865 W866 Q871 E872 K873	R865-R869 WeakPolarHBondContact O-CG 3.49Å; R865-R869 PolarHBondContact O-N 3.36Å; R865-R869 VanDerWaalsContact O-N 3.12Å; W866-R869 PolarHBondContact O-N 3.49Å; W866-R869 VanDerWaalsContact O-N 3.16Å; R869-Q871 VanDerWaalsContact C-N 3.32Å; R869-E872 PolarHBondContact O-N 2.71Å; R869-K873 VanDerWaalsContact O-CB 3.28Å; R869-K873 WeakPolarHBondContact O-CB 3.42Å; R869-K873 PolarHBondContact O-N 2.79Å
870	E	88.8	Confident	88.5	Confident	82 Å²	82	95.8 Å²	95.8	38%	0.383	46%	0.459	S	S	.	.	H	α-helix	trans	-64.6	-41	175.9	-166.1	63.2	-156.2	0	0	110.5	W866 N867 K873 I874	W866-E870 PolarHBondContact O-N 2.95Å; N867-E870 PolarHBondContact O-N 2.92Å; E870-K873 WeakPolarHBondContact O-CB 3.4Å; E870-K873 PolarHBondContact O-N 3.09Å; E870-I874 HydrophobicContact CG-CD1 4.21Å; E870-I874 WeakPolarHBondContact O-CD1 3.16Å; E870-I874 VanDerWaalsContact O-CG1 3.23Å; E870-I874 WeakPolarHBondContact O-CG1 3.49Å; E870-I874 PolarHBondContact O-N 3.27Å
871	Q	90.2	Very high	88	Confident	95 Å²	95	95.3 Å²	95.3	44%	0.444	46%	0.455	S	S	.	.	H	α-helix	trans	-65.1	-46.8	175.6	-174	61.5	22.9	0	0	112.3	N867 L868 R869 K873 I874 E875	N867-Q871 WeakPolarHBondContact O-CB 3.49Å; N867-Q871 PolarHBondContact O-N 3.24Å; L868-Q871 PolarHBondContact O-N 3.04Å; R869-Q871 VanDerWaalsContact C-N 3.32Å; Q871-K873 VanDerWaalsContact C-N 3.26Å; Q871-K873 PolarHBondContact O-N 3.32Å; Q871-I874 PolarHBondContact O-N 3.49Å; Q871-E875 WeakPolarHBondContact CG-OE1 3.34Å; Q871-E875 PolarHBondContact NE2-OE1 2.86Å; Q871-E875 WeakPolarHBondContact O-CB 3.23Å; Q871-E875 WeakPolarHBondContact O-CG 3.18Å; Q871-E875 PolarHBondContact O-N 3.06Å
872	E	91.8	Very high	87.2	Confident	105 Å²	105	97.3 Å²	97.3	49%	0.491	46%	0.459	S	S	.	.	H	α-helix	trans	-57.6	-40.9	174.6	-75.2	169.3	-175.5	0	0	111.1	L868 R869 E875 Q876	L868-E872 WeakPolarHBondContact O-CB 3.25Å; L868-E872 WeakPolarHBondContact O-CG 3.37Å; L868-E872 PolarHBondContact O-N 3.36Å; R869-E872 PolarHBondContact O-N 2.71Å; E872-E875 PolarHBondContact O-N 3.33Å; E872-Q876 VanDerWaalsContact O-CB 3.25Å; E872-Q876 WeakPolarHBondContact O-CB 3.44Å; E872-Q876 PolarHBondContact O-N 3.25Å
873	K	89	Confident	86.6	Confident	100 Å²	100	101.2 Å²	101.2	44%	0.435	47%	0.47	S	S	.	.	H	α-helix	trans	-64.5	-46.2	175.5	-178.8	-173.7	170	-162	0	111.7	R869 E870 Q871 E875 Q876 E877	R869-K873 VanDerWaalsContact O-CB 3.28Å; R869-K873 WeakPolarHBondContact O-CB 3.42Å; R869-K873 PolarHBondContact O-N 2.79Å; E870-K873 WeakPolarHBondContact O-CB 3.4Å; E870-K873 PolarHBondContact O-N 3.09Å; Q871-K873 VanDerWaalsContact C-N 3.26Å; Q871-K873 PolarHBondContact O-N 3.32Å; K873-E875 VanDerWaalsContact C-N 3.33Å; K873-E875 PolarHBondContact O-N 3.44Å; K873-Q876 PolarHBondContact O-N 3.18Å; K873-E877 WeakPolarHBondContact CE-OE1 3.4Å; K873-E877 WeakPolarHBondContact O-CB 3.45Å; K873-E877 WeakPolarHBondContact O-CG 3.3Å; K873-E877 PolarHBondContact O-N 2.93Å
874	I	89.1	Confident	86	Confident	82 Å²	82	102.4 Å²	102.4	42%	0.421	48%	0.482	S	S	.	.	H	α-helix	trans	-60.4	-43.7	176.8	-69.5	162.8	0	0	0	110.6	E870 Q871 E877 A878	E870-I874 HydrophobicContact CG-CD1 4.21Å; E870-I874 WeakPolarHBondContact O-CD1 3.16Å; E870-I874 VanDerWaalsContact O-CG1 3.23Å; E870-I874 WeakPolarHBondContact O-CG1 3.49Å; E870-I874 PolarHBondContact O-N 3.27Å; Q871-I874 PolarHBondContact O-N 3.49Å; I874-E877 PolarHBondContact O-N 3.32Å; I874-A878 WeakPolarHBondContact O-CB 3.37Å; I874-A878 PolarHBondContact O-N 2.91Å
875	E	87.7	Confident	85	Confident	111 Å²	111	100.9 Å²	100.9	52%	0.519	49%	0.492	S	S	.	.	H	α-helix	trans	-64.9	-42.3	177.5	-73.9	174.2	-165.7	0	0	111.7	Q871 E872 K873 A878 E879	Q871-E875 WeakPolarHBondContact CG-OE1 3.34Å; Q871-E875 PolarHBondContact NE2-OE1 2.86Å; Q871-E875 WeakPolarHBondContact O-CB 3.23Å; Q871-E875 WeakPolarHBondContact O-CG 3.18Å; Q871-E875 PolarHBondContact O-N 3.06Å; E872-E875 PolarHBondContact O-N 3.33Å; K873-E875 VanDerWaalsContact C-N 3.33Å; K873-E875 PolarHBondContact O-N 3.44Å; E875-A878 PolarHBondContact O-N 2.87Å; E875-E879 WeakPolarHBondContact O-CB 3.37Å; E875-E879 PolarHBondContact O-N 3.34Å
876	Q	83.7	Confident	83.5	Confident	128 Å²	128	102.1 Å²	102.1	60%	0.598	50%	0.504	S	S	*	.	H	α-helix	trans	-66	-39.7	176.3	-168.3	175.1	10.1	0	0	111.8	E872 K873 E879 N880	E872-Q876 VanDerWaalsContact O-CB 3.25Å; E872-Q876 WeakPolarHBondContact O-CB 3.44Å; E872-Q876 PolarHBondContact O-N 3.25Å; K873-Q876 PolarHBondContact O-N 3.18Å; Q876-E879 PolarHBondContact O-N 3.04Å; Q876-N880 WeakPolarHBondContact O-CB 3.36Å; Q876-N880 PolarHBondContact O-N 3.39Å; Q876-N880 PolarHBondContact O-ND2 3.44Å
877	E	84.6	Confident	81.9	Confident	86 Å²	86	98.5 Å²	98.5	40%	0.402	51%	0.51	S	S	.	.	H	α-helix	trans	-65.3	-40.9	173.4	-76.8	-177.4	-166.8	0	0	112.1	K873 I874 N880 K881	K873-E877 WeakPolarHBondContact CE-OE1 3.4Å; K873-E877 WeakPolarHBondContact O-CB 3.45Å; K873-E877 WeakPolarHBondContact O-CG 3.3Å; K873-E877 PolarHBondContact O-N 2.93Å; I874-E877 PolarHBondContact O-N 3.32Å; E877-N880 PolarHBondContact O-N 3.13Å; E877-K881 WeakPolarHBondContact O-CG 3.39Å; E877-K881 PolarHBondContact O-N 2.94Å
878	A	81.4	Confident	80.1	Confident	54 Å²	54	97.1 Å²	97.1	45%	0.446	51%	0.507	S	S	.	.	H	α-helix	trans	-63.9	-42.4	175.3	0	0	0	0	0	111.4	I874 E875 K881 R882	I874-A878 WeakPolarHBondContact O-CB 3.37Å; I874-A878 PolarHBondContact O-N 2.91Å; E875-A878 PolarHBondContact O-N 2.87Å; A878-K881 PolarHBondContact O-N 3.34Å; A878-R882 WeakPolarHBondContact O-CB 3.2Å; A878-R882 PolarHBondContact O-N 3.05Å
879	E	82	Confident	78.3	Confident	56 Å²	56	98 Å²	98	26%	0.262	53%	0.525	S	S	.	.	H	α-helix	trans	-64.4	-41	175.6	-176.1	57.8	-155.3	0	0	111.9	E875 Q876 R882 K883	E875-E879 WeakPolarHBondContact O-CB 3.37Å; E875-E879 PolarHBondContact O-N 3.34Å; Q876-E879 PolarHBondContact O-N 3.04Å; E879-R882 WeakPolarHBondContact O-CB 3.41Å; E879-R882 PolarHBondContact O-N 2.93Å; E879-R882 IonicContact OE1-CZ 2.72Å; E879-R882 IonicContact OE1-NE 3.97Å; E879-R882 PolarHBondContact OE1-NE 2.85Å; E879-R882 IonicContact OE1-NH2 3.46Å; E879-R882 PolarHBondContact OE1-NH2 2.88Å; E879-R882 IonicContact OE2-CZ 2.76Å; E879-R882 IonicContact OE2-NE 3.4Å; E879-R882 PolarHBondContact OE2-NE 2.85Å; E879-R882 VanDerWaalsContact OE2-NE 3.13Å; E879-R882 IonicContact OE2-NH1 3.38Å; E879-R882 IonicContact OE2-NH2 3.13Å; E879-R882 PolarHBondContact OE2-NH2 2.76Å; E879-K883 HydrophobicContact CG-CD 4.45Å; E879-K883 WeakPolarHBondContact O-CG 3.47Å; E879-K883 PolarHBondContact O-N 2.87Å; E879-K883 WeakPolarHBondContact OE1-CE 3.49Å; E879-K883 IonicContact OE1-NZ 3.54Å
880	N	81.9	Confident	76.4	Confident	86 Å²	86	96.6 Å²	96.6	46%	0.46	53%	0.531	S	S	.	.	H	α-helix	trans	-65.7	-40.9	175.9	-73	-17.7	0	0	0	111.7	Q876 E877 K883 A884	Q876-N880 WeakPolarHBondContact O-CB 3.36Å; Q876-N880 PolarHBondContact O-N 3.39Å; Q876-N880 PolarHBondContact O-ND2 3.44Å; E877-N880 PolarHBondContact O-N 3.13Å; N880-K883 PolarHBondContact O-N 2.72Å; N880-A884 VanDerWaalsContact O-CB 3.29Å; N880-A884 WeakPolarHBondContact O-CB 3.44Å; N880-A884 PolarHBondContact O-N 3.46Å
881	K	80.2	Confident	74.7	Confident	113 Å²	113	101.6 Å²	101.6	49%	0.491	56%	0.557	S	S	.	*	H	α-helix	trans	-61.5	-43.3	173.3	-75.8	173.5	-178	170	0	111.6	E877 A878 K883 A884 G885 L886	E877-K881 WeakPolarHBondContact O-CG 3.39Å; E877-K881 PolarHBondContact O-N 2.94Å; A878-K881 PolarHBondContact O-N 3.34Å; K881-K883 PolarHBondContact O-N 2.9Å; K881-A884 PolarHBondContact O-N 3.31Å; K881-G885 PolarHBondContact O-N 3.48Å; K881-L886 CarbonylContact C-O 3.58Å; K881-L886 HydrophobicContact CB-CB 4.43Å; K881-L886 PolarHBondContact O-N 3.36Å; K881-L886 VanDerWaalsContact O-N 3.14Å
882	R	76.3	Confident	73	Confident	162 Å²	162	100 Å²	100	61%	0.611	55%	0.55	S	S	*	*	H	α-helix	trans	-59.5	-45	175.2	-170.8	178.4	76.1	177.2	6.1	111.7	A878 E879 G885	A878-R882 WeakPolarHBondContact O-CB 3.2Å; A878-R882 PolarHBondContact O-N 3.05Å; E879-R882 WeakPolarHBondContact O-CB 3.41Å; E879-R882 PolarHBondContact O-N 2.93Å; E879-R882 IonicContact OE1-CZ 2.72Å; E879-R882 IonicContact OE1-NE 3.97Å; E879-R882 PolarHBondContact OE1-NE 2.85Å; E879-R882 IonicContact OE1-NH2 3.46Å; E879-R882 PolarHBondContact OE1-NH2 2.88Å; E879-R882 IonicContact OE2-CZ 2.76Å; E879-R882 IonicContact OE2-NE 3.4Å; E879-R882 PolarHBondContact OE2-NE 2.85Å; E879-R882 VanDerWaalsContact OE2-NE 3.13Å; E879-R882 IonicContact OE2-NH1 3.38Å; E879-R882 IonicContact OE2-NH2 3.13Å; E879-R882 PolarHBondContact OE2-NH2 2.76Å; R882-G885 PolarHBondContact O-N 2.92Å
883	K	77.3	Confident	71.9	Confident	154 Å²	154	97.7 Å²	97.7	67%	0.67	55%	0.546	S	S	*	.	H	α-helix	trans	-68	-32.8	176.4	-73.4	175.5	-178.5	168.7	0	113.1	E879 N880 K881 G885	E879-K883 HydrophobicContact CG-CD 4.45Å; E879-K883 WeakPolarHBondContact O-CG 3.47Å; E879-K883 PolarHBondContact O-N 2.87Å; E879-K883 WeakPolarHBondContact OE1-CE 3.49Å; E879-K883 IonicContact OE1-NZ 3.54Å; N880-K883 PolarHBondContact O-N 2.72Å; K881-K883 PolarHBondContact O-N 2.9Å; K883-G885 PolarHBondContact O-N 2.87Å
884	A	78.5	Confident	70.9	Confident	69 Å²	69	99.1 Å²	99.1	57%	0.57	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-0.3	177	0	0	0	0	0	113.7	N880 K881 L886	N880-A884 VanDerWaalsContact O-CB 3.29Å; N880-A884 WeakPolarHBondContact O-CB 3.44Å; N880-A884 PolarHBondContact O-N 3.46Å; K881-A884 PolarHBondContact O-N 3.31Å; A884-L886 HydrophobicContact CB-CD1 3.77Å; A884-L886 PolarHBondContact O-N 3.37Å
885	G	70.2	Confident	70	Confident	67 Å²	67	102.4 Å²	102.4	69%	0.691	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	72.7	7.9	-179.2	0	0	0	0	0	114.1	K881 R882 K883 A887	K881-G885 PolarHBondContact O-N 3.48Å; R882-G885 PolarHBondContact O-N 2.92Å; K883-G885 PolarHBondContact O-N 2.87Å; G885-A887 PolarHBondContact O-N 3.39Å
886	L	59.8	Low	69.2	Low	109 Å²	109	101 Å²	101	57%	0.571	57%	0.566	S	S	*	*			trans	-74.4	107.5	165.2	-76.4	98.2	0	0	0	106.8	K881 A884 P888	K881-L886 CarbonylContact C-O 3.58Å; K881-L886 HydrophobicContact CB-CB 4.43Å; K881-L886 PolarHBondContact O-N 3.36Å; K881-L886 VanDerWaalsContact O-N 3.14Å; A884-L886 HydrophobicContact CB-CD1 3.77Å; A884-L886 PolarHBondContact O-N 3.37Å; L886-P888 VanDerWaalsContact O-N 3.16Å
887	A	54.8	Low	68.7	Low	89 Å²	89	98.1 Å²	98.1	74%	0.736	55%	0.554	S	S	*	*			trans	-51	126.3	174.1	0	0	0	0	0	108.2	G885 A889	G885-A887 PolarHBondContact O-N 3.39Å; A887-A889 PolarHBondContact O-N 3.44Å
888	P	51.5	Low	68.4	Low	83 Å²	83	99.1 Å²	99.1	54%	0.539	56%	0.561	S	S	.	*			trans	-54.5	135.1	176.5	22.1	-30.6	0	0	0	107.1	L886 V890	L886-P888 VanDerWaalsContact O-N 3.16Å; P888-V890 PolarHBondContact O-N 2.89Å
889	A	53.9	Low	68.2	Low	97 Å²	97	102.8 Å²	102.8	80%	0.802	57%	0.568	S	S	*	*			trans	-53.8	103	162.9	0	0	0	0	0	104.7	A887 M891	A887-A889 PolarHBondContact O-N 3.44Å; A889-M891 PolarHBondContact O-N 2.94Å
890	V	52.9	Low	68	Low	101 Å²	101	105.3 Å²	105.3	61%	0.612	58%	0.579	S	S	*	*			trans	-55.1	112.3	-175.2	174.3	0	0	0	0	104.5	P888 L892	P888-V890 PolarHBondContact O-N 2.89Å; V890-L892 HydrophobicContact CG1-CD2 4.21Å; V890-L892 PolarHBondContact O-N 3.33Å
891	M	53.3	Low	68	Low	187 Å²	187	107 Å²	107	92%	0.921	58%	0.584	S	S	*	*			trans	-63.1	99.2	162	-87.3	-145.7	-175.1	0	0	104.2	A889 S893	A889-M891 PolarHBondContact O-N 2.94Å; M891-S893 PolarHBondContact O-N 3.42Å
892	L	54.6	Low	68.1	Low	60 Å²	60	107.9 Å²	107.9	31%	0.314	59%	0.588	S	S	.	*			trans	-58.9	132.3	174.5	-67.7	165.9	0	0	0	106.3	V890 E896 I897 K900	V890-L892 HydrophobicContact CG1-CD2 4.21Å; V890-L892 PolarHBondContact O-N 3.33Å; L892-E896 VanDerWaalsContact CA-OE2 3.27Å; L892-E896 WeakPolarHBondContact CA-OE2 3.26Å; L892-E896 HydrophobicContact CB-CB 3.76Å; L892-E896 HydrophobicContact CD2-CB 3.78Å; L892-E896 HydrophobicContact CD2-CG 4.48Å; L892-E896 HydrophobicContact CG-CB 4.32Å; L892-I897 HydrophobicContact CB-CG1 3.65Å; L892-K900 HydrophobicContact CD1-CD 3.71Å
893	S	66.8	Low	68.4	Low	58 Å²	58	105.7 Å²	105.7	41%	0.406	59%	0.588	S	S	.	*			trans	-58.7	158.8	169.8	70.2	0	0	0	0	109.9	M891 E895 E896 I897	M891-S893 PolarHBondContact O-N 3.42Å; S893-E895 PolarHBondContact O-N 3.31Å; S893-E896 PolarHBondContact N-OE2 2.85Å; S893-E896 CarbonylContact O-C 3.58Å; S893-E896 WeakPolarHBondContact O-CA 3.21Å; S893-E896 WeakPolarHBondContact O-CB 3.46Å; S893-E896 PolarHBondContact O-N 3.15Å; S893-E896 WeakPolarHBondContact OG-CG 3.39Å; S893-E896 PolarHBondContact OG-N 2.83Å; S893-I897 WeakPolarHBondContact O-CG1 3.46Å; S893-I897 PolarHBondContact O-N 2.88Å
894	D	68.7	Low	68.7	Low	130 Å²	130	103.8 Å²	103.8	70%	0.695	58%	0.581	S	S	*	*	H	α-helix	trans	-50.8	-35.4	176.7	-69.4	-17	0	0	0	112	I898	D894-I898 WeakPolarHBondContact O-CD1 3.36Å; D894-I898 WeakPolarHBondContact O-CG1 3.29Å; D894-I898 PolarHBondContact O-N 3.4Å
895	E	69.8	Low	69	Low	151 Å²	151	107.1 Å²	107.1	71%	0.706	58%	0.58	S	S	*	*	H	α-helix	trans	-67.5	-39.5	175.1	-65.3	-169.6	164.5	0	0	113.1	S893 I898 Q899	S893-E895 PolarHBondContact O-N 3.31Å; E895-I898 PolarHBondContact O-N 3.42Å; E895-Q899 WeakPolarHBondContact O-CG 3.46Å; E895-Q899 PolarHBondContact O-N 2.82Å
896	E	71.5	Confident	69.8	Low	81 Å²	81	109.3 Å²	109.3	38%	0.379	57%	0.572	S	S	.	*	H	α-helix	trans	-73.1	-34	177.8	-71.3	174.5	151	0	0	111.9	L892 S893 Q899 K900	L892-E896 VanDerWaalsContact CA-OE2 3.27Å; L892-E896 WeakPolarHBondContact CA-OE2 3.26Å; L892-E896 HydrophobicContact CB-CB 3.76Å; L892-E896 HydrophobicContact CD2-CB 3.78Å; L892-E896 HydrophobicContact CD2-CG 4.48Å; L892-E896 HydrophobicContact CG-CB 4.32Å; S893-E896 PolarHBondContact N-OE2 2.85Å; S893-E896 CarbonylContact O-C 3.58Å; S893-E896 WeakPolarHBondContact O-CA 3.21Å; S893-E896 WeakPolarHBondContact O-CB 3.46Å; S893-E896 PolarHBondContact O-N 3.15Å; S893-E896 WeakPolarHBondContact OG-CG 3.39Å; S893-E896 PolarHBondContact OG-N 2.83Å; E896-Q899 PolarHBondContact O-N 2.84Å; E896-K900 VanDerWaalsContact O-CB 3.29Å; E896-K900 WeakPolarHBondContact O-CB 3.24Å; E896-K900 PolarHBondContact O-N 3.34Å
897	I	73.3	Confident	71.1	Confident	67 Å²	67	110.5 Å²	110.5	34%	0.344	57%	0.573	S	S	.	*	H	α-helix	trans	-61.1	-50.5	170.8	-64	172.1	0	0	0	109.1	L892 S893 Q899 K900 E901	L892-I897 HydrophobicContact CB-CG1 3.65Å; S893-I897 WeakPolarHBondContact O-CG1 3.46Å; S893-I897 PolarHBondContact O-N 2.88Å; I897-Q899 VanDerWaalsContact C-N 3.32Å; I897-Q899 PolarHBondContact O-N 3.38Å; I897-K900 PolarHBondContact O-N 3.27Å; I897-K900 VanDerWaalsContact O-N 3.15Å; I897-E901 HydrophobicContact CG2-CG 4.39Å; I897-E901 WeakPolarHBondContact O-CB 3.27Å; I897-E901 WeakPolarHBondContact O-CG 3.34Å; I897-E901 PolarHBondContact O-N 3.23Å
898	I	77.6	Confident	72.6	Confident	107 Å²	107	112.4 Å²	112.4	55%	0.549	56%	0.562	S	S	.	*	H	α-helix	trans	-60.4	-42	178.2	-69.2	164.4	0	0	0	111.1	D894 E895 K902	D894-I898 WeakPolarHBondContact O-CD1 3.36Å; D894-I898 WeakPolarHBondContact O-CG1 3.29Å; D894-I898 PolarHBondContact O-N 3.4Å; E895-I898 PolarHBondContact O-N 3.42Å; I898-K902 VanDerWaalsContact O-CB 3.26Å; I898-K902 WeakPolarHBondContact O-CB 3.29Å; I898-K902 PolarHBondContact O-N 3.38Å
899	Q	78	Confident	74.3	Confident	131 Å²	131	111.5 Å²	111.5	61%	0.612	55%	0.552	S	S	*	*	H	α-helix	trans	-64.7	-41.1	176.3	-82	-176.7	-2.5	0	0	112.3	E895 E896 I897 K902 L903	E895-Q899 WeakPolarHBondContact O-CG 3.46Å; E895-Q899 PolarHBondContact O-N 2.82Å; E896-Q899 PolarHBondContact O-N 2.84Å; I897-Q899 VanDerWaalsContact C-N 3.32Å; I897-Q899 PolarHBondContact O-N 3.38Å; Q899-K902 PolarHBondContact O-N 3.27Å; Q899-L903 WeakPolarHBondContact O-CB 3.48Å; Q899-L903 PolarHBondContact O-N 2.74Å
900	K	77.7	Confident	75.7	Confident	110 Å²	110	110.3 Å²	110.3	48%	0.478	54%	0.538	S	S	.	.	H	α-helix	trans	-65.7	-45.2	177.6	-171	-177.5	175.5	-168.2	0	111.2	L892 E896 I897 K902 L903 E904	L892-K900 HydrophobicContact CD1-CD 3.71Å; E896-K900 VanDerWaalsContact O-CB 3.29Å; E896-K900 WeakPolarHBondContact O-CB 3.24Å; E896-K900 PolarHBondContact O-N 3.34Å; I897-K900 PolarHBondContact O-N 3.27Å; I897-K900 VanDerWaalsContact O-N 3.15Å; K900-K902 VanDerWaalsContact C-N 3.27Å; K900-K902 PolarHBondContact O-N 3.21Å; K900-L903 PolarHBondContact O-N 3.2Å; K900-E904 WeakPolarHBondContact CE-OE1 3.36Å; K900-E904 WeakPolarHBondContact O-CB 3.48Å; K900-E904 WeakPolarHBondContact O-CG 3.48Å; K900-E904 PolarHBondContact O-N 3.32Å
901	E	80.6	Confident	77.2	Confident	120 Å²	120	110.8 Å²	110.8	56%	0.561	53%	0.533	S	S	*	.	H	α-helix	trans	-58.8	-40.2	173.3	-75.2	-178.6	167.4	0	0	111.3	I897 E904 Y905	I897-E901 HydrophobicContact CG2-CG 4.39Å; I897-E901 WeakPolarHBondContact O-CB 3.27Å; I897-E901 WeakPolarHBondContact O-CG 3.34Å; I897-E901 PolarHBondContact O-N 3.23Å; E901-E904 PolarHBondContact O-N 3.33Å; E901-Y905 VanDerWaalsContact O-CB 3.24Å; E901-Y905 WeakPolarHBondContact O-CB 3.49Å; E901-Y905 PolarHBondContact O-N 3.28Å
902	K	82.5	Confident	78.7	Confident	132 Å²	132	105.6 Å²	105.6	57%	0.574	51%	0.507	S	S	*	.	H	α-helix	trans	-66.1	-41	177.1	-162.5	178.5	-177.1	-175.4	0	112.3	I898 Q899 K900 Y905 E906	I898-K902 VanDerWaalsContact O-CB 3.26Å; I898-K902 WeakPolarHBondContact O-CB 3.29Å; I898-K902 PolarHBondContact O-N 3.38Å; Q899-K902 PolarHBondContact O-N 3.27Å; K900-K902 VanDerWaalsContact C-N 3.27Å; K900-K902 PolarHBondContact O-N 3.21Å; K902-Y905 PolarHBondContact O-N 2.87Å; K902-E906 WeakPolarHBondContact O-CG 3.48Å; K902-E906 PolarHBondContact O-N 3.47Å
903	L	83.6	Confident	80	Confident	117 Å²	117	106.5 Å²	106.5	61%	0.613	51%	0.509	S	S	*	.	H	α-helix	trans	-66.2	-42.1	175	-109.3	159	0	0	0	112	Q899 K900 Y905 E906 K907	Q899-L903 WeakPolarHBondContact O-CB 3.48Å; Q899-L903 PolarHBondContact O-N 2.74Å; K900-L903 PolarHBondContact O-N 3.2Å; L903-Y905 VanDerWaalsContact C-N 3.32Å; L903-E906 PolarHBondContact O-N 3.14Å; L903-K907 WeakPolarHBondContact O-CB 3.48Å; L903-K907 PolarHBondContact O-N 2.92Å
904	E	82.2	Confident	80.8	Confident	114 Å²	114	106.1 Å²	106.1	53%	0.533	51%	0.509	S	S	.	.	H	α-helix	trans	-64.5	-38.9	174.3	-77	179.8	-176	0	0	111.1	K900 E901 K907 Y908	K900-E904 WeakPolarHBondContact CE-OE1 3.36Å; K900-E904 WeakPolarHBondContact O-CB 3.48Å; K900-E904 WeakPolarHBondContact O-CG 3.48Å; K900-E904 PolarHBondContact O-N 3.32Å; E901-E904 PolarHBondContact O-N 3.33Å; E904-K907 PolarHBondContact O-N 2.94Å; E904-Y908 WeakPolarHBondContact O-CB 3.46Å; E904-Y908 PolarHBondContact O-N 3.46Å
905	Y	86.4	Confident	81.4	Confident	138 Å²	138	106.1 Å²	106.1	54%	0.541	50%	0.503	S	S	.	.	H	α-helix	trans	-67.5	-41.9	175.4	-174	-109.7	0	0	0	112.8	E901 K902 L903 K907 Y908 L909	E901-Y905 VanDerWaalsContact O-CB 3.24Å; E901-Y905 WeakPolarHBondContact O-CB 3.49Å; E901-Y905 PolarHBondContact O-N 3.28Å; K902-Y905 PolarHBondContact O-N 2.87Å; L903-Y905 VanDerWaalsContact C-N 3.32Å; Y905-K907 VanDerWaalsContact C-N 3.31Å; Y905-K907 PolarHBondContact O-N 3.42Å; Y905-Y908 HydrophobicContact CD2-CD1 4.46Å; Y905-Y908 HydrophobicContact CE2-CD1 4.44Å; Y905-Y908 WeakPolarHBondContact O-CB 3.37Å; Y905-Y908 PolarHBondContact O-N 2.85Å; Y905-L909 HydrophobicContact CD1-CD1 3.79Å; Y905-L909 HydrophobicContact CD1-CG 4.5Å; Y905-L909 HydrophobicContact CE1-CD1 3.41Å; Y905-L909 VanDerWaalsContact CE1-CD1 3.41Å; Y905-L909 HydrophobicContact CE1-CG 4.13Å; Y905-L909 WeakPolarHBondContact O-CB 3.42Å; Y905-L909 PolarHBondContact O-N 3.33Å
906	E	87.1	Confident	82.1	Confident	113 Å²	113	101.2 Å²	101.2	53%	0.528	48%	0.482	S	S	.	.	H	α-helix	trans	-63.1	-39.2	173.2	-80.1	179.8	-177.2	0	0	111.7	K902 L903 L909 S910	K902-E906 WeakPolarHBondContact O-CG 3.48Å; K902-E906 PolarHBondContact O-N 3.47Å; L903-E906 PolarHBondContact O-N 3.14Å; E906-L909 PolarHBondContact O-N 3.48Å; E906-S910 WeakPolarHBondContact O-CB 3.45Å; E906-S910 PolarHBondContact O-N 2.9Å
907	K	85.9	Confident	82.5	Confident	134 Å²	134	104 Å²	104	58%	0.583	49%	0.489	S	S	*	.	H	α-helix	trans	-65.8	-44.1	175.2	-166.9	-175.8	178.6	-165.6	0	111.5	L903 E904 Y905 S910 E911	L903-K907 WeakPolarHBondContact O-CB 3.48Å; L903-K907 PolarHBondContact O-N 2.92Å; E904-K907 PolarHBondContact O-N 2.94Å; Y905-K907 VanDerWaalsContact C-N 3.31Å; Y905-K907 PolarHBondContact O-N 3.42Å; K907-S910 WeakPolarHBondContact O-CB 3.36Å; K907-S910 PolarHBondContact O-N 3.2Å; K907-E911 VanDerWaalsContact CE-OE1 3.31Å; K907-E911 WeakPolarHBondContact CE-OE1 3.4Å; K907-E911 IonicContact NZ-OE1 3.96Å; K907-E911 WeakPolarHBondContact O-CG 3.47Å; K907-E911 PolarHBondContact O-N 2.8Å
908	Y	87.6	Confident	82.8	Confident	130 Å²	130	105.3 Å²	105.3	51%	0.51	50%	0.504	S	S	.	.	H	α-helix	trans	-57.6	-48	173.4	170.9	-97	0	0	0	111.3	E904 Y905 S910 E911 E912	E904-Y908 WeakPolarHBondContact O-CB 3.46Å; E904-Y908 PolarHBondContact O-N 3.46Å; Y905-Y908 HydrophobicContact CD2-CD1 4.46Å; Y905-Y908 HydrophobicContact CE2-CD1 4.44Å; Y905-Y908 WeakPolarHBondContact O-CB 3.37Å; Y905-Y908 PolarHBondContact O-N 2.85Å; Y908-S910 VanDerWaalsContact C-N 3.3Å; Y908-S910 PolarHBondContact O-N 2.84Å; Y908-E911 PolarHBondContact O-N 3.47Å; Y908-E912 WeakPolarHBondContact O-CB 3.48Å; Y908-E912 PolarHBondContact O-N 3.19Å
909	L	85.6	Confident	83.1	Confident	64 Å²	64	104.9 Å²	104.9	34%	0.335	50%	0.502	S	S	.	.	H	α-helix	trans	-59.1	-41	175.4	-84	168.1	0	0	0	111.9	Y905 E906 E912 H913	Y905-L909 HydrophobicContact CD1-CD1 3.79Å; Y905-L909 HydrophobicContact CD1-CG 4.5Å; Y905-L909 HydrophobicContact CE1-CD1 3.41Å; Y905-L909 VanDerWaalsContact CE1-CD1 3.41Å; Y905-L909 HydrophobicContact CE1-CG 4.13Å; Y905-L909 WeakPolarHBondContact O-CB 3.42Å; Y905-L909 PolarHBondContact O-N 3.33Å; E906-L909 PolarHBondContact O-N 3.48Å; L909-E912 PolarHBondContact O-N 2.88Å; L909-H913 WeakPolarHBondContact O-CB 3.27Å; L909-H913 PolarHBondContact O-N 3.38Å
910	S	83.8	Confident	83.1	Confident	71 Å²	71	101.7 Å²	101.7	50%	0.497	51%	0.505	S	S	.	.	H	α-helix	trans	-65.6	-41.3	176.4	-178.3	0	0	0	0	112.2	E906 K907 Y908 H913 A914	E906-S910 WeakPolarHBondContact O-CB 3.45Å; E906-S910 PolarHBondContact O-N 2.9Å; K907-S910 WeakPolarHBondContact O-CB 3.36Å; K907-S910 PolarHBondContact O-N 3.2Å; Y908-S910 VanDerWaalsContact C-N 3.3Å; Y908-S910 PolarHBondContact O-N 2.84Å; S910-H913 PolarHBondContact O-N 2.82Å; S910-A914 WeakPolarHBondContact O-CB 3.38Å; S910-A914 PolarHBondContact O-N 3.46Å
911	E	84.5	Confident	83.2	Confident	112 Å²	112	102.2 Å²	102.2	52%	0.523	51%	0.512	S	S	.	.	H	α-helix	trans	-67.1	-40.6	176.6	-74.4	176.8	-172.7	0	0	111	K907 Y908 A914 F915	K907-E911 VanDerWaalsContact CE-OE1 3.31Å; K907-E911 WeakPolarHBondContact CE-OE1 3.4Å; K907-E911 IonicContact NZ-OE1 3.96Å; K907-E911 WeakPolarHBondContact O-CG 3.47Å; K907-E911 PolarHBondContact O-N 2.8Å; Y908-E911 PolarHBondContact O-N 3.47Å; E911-A914 PolarHBondContact O-N 3.01Å; E911-F915 VanDerWaalsContact O-CB 3.27Å; E911-F915 WeakPolarHBondContact O-CB 3.35Å; E911-F915 PolarHBondContact O-N 2.93Å
912	E	84.9	Confident	82.8	Confident	77 Å²	77	98.7 Å²	98.7	36%	0.36	50%	0.499	S	S	.	.	H	α-helix	trans	-61.6	-47.3	172.4	-175.3	178.4	-152.5	0	0	111	Y908 L909 A914 F915 L916	Y908-E912 WeakPolarHBondContact O-CB 3.48Å; Y908-E912 PolarHBondContact O-N 3.19Å; L909-E912 PolarHBondContact O-N 2.88Å; E912-A914 VanDerWaalsContact C-N 3.31Å; E912-A914 PolarHBondContact O-N 3.38Å; E912-F915 PolarHBondContact O-N 3.19Å; E912-L916 HydrophobicContact CG-CD1 3.98Å; E912-L916 HydrophobicContact CG-CG 4.36Å; E912-L916 WeakPolarHBondContact O-CB 3.31Å; E912-L916 VanDerWaalsContact O-CG 3.27Å; E912-L916 WeakPolarHBondContact O-CG 3.27Å; E912-L916 PolarHBondContact O-N 2.79Å
913	H	82	Confident	82.3	Confident	79 Å²	79	100.9 Å²	100.9	37%	0.366	51%	0.511	S	S	.	.	H	α-helix	trans	-62.4	-37.2	176.4	-122.5	-92.6	0	0	0	112.4	L909 S910 R917	L909-H913 WeakPolarHBondContact O-CB 3.27Å; L909-H913 PolarHBondContact O-N 3.38Å; S910-H913 PolarHBondContact O-N 2.82Å; H913-R917 WeakPolarHBondContact O-CB 3.48Å; H913-R917 WeakPolarHBondContact O-CG 3.34Å; H913-R917 PolarHBondContact O-N 2.65Å; H913-R917 PolarHBondContact O-NE 3.3Å
914	A	82.5	Confident	81.4	Confident	50 Å²	50	103.9 Å²	103.9	41%	0.413	52%	0.522	S	S	.	.	H	α-helix	trans	-69.3	-40	175.5	0	0	0	0	0	111.3	S910 E911 E912 R917 S918	S910-A914 WeakPolarHBondContact O-CB 3.38Å; S910-A914 PolarHBondContact O-N 3.46Å; E911-A914 PolarHBondContact O-N 3.01Å; E912-A914 VanDerWaalsContact C-N 3.31Å; E912-A914 PolarHBondContact O-N 3.38Å; A914-R917 WeakPolarHBondContact O-CB 3.5Å; A914-R917 PolarHBondContact O-N 3.32Å; A914-S918 PolarHBondContact O-N 2.96Å
915	F	81.7	Confident	80.3	Confident	130 Å²	130	107.1 Å²	107.1	57%	0.57	54%	0.537	S	S	*	.	H	α-helix	trans	-65.2	-45.6	175.7	-178.1	-107.9	0	0	0	111.6	E911 E912 R917 S918 L919	E911-F915 VanDerWaalsContact O-CB 3.27Å; E911-F915 WeakPolarHBondContact O-CB 3.35Å; E911-F915 PolarHBondContact O-N 2.93Å; E912-F915 PolarHBondContact O-N 3.19Å; F915-R917 VanDerWaalsContact C-N 3.34Å; F915-R917 PolarHBondContact O-N 2.96Å; F915-S918 WeakPolarHBondContact O-CB 3.33Å; F915-S918 PolarHBondContact O-N 3.18Å; F915-S918 VanDerWaalsContact O-N 3.11Å; F915-S918 PolarHBondContact O-OG 3.4Å; F915-L919 HydrophobicContact CD1-CD1 3.73Å; F915-L919 HydrophobicContact CE1-CD1 3.3Å; F915-L919 HydrophobicContact CE2-CD1 4.28Å; F915-L919 HydrophobicContact CG-CD1 4.39Å; F915-L919 HydrophobicContact CZ-CD1 3.62Å; F915-L919 PolarHBondContact O-N 3.33Å
916	L	85.5	Confident	78.1	Confident	48 Å²	48	112 Å²	112	25%	0.251	57%	0.572	S	S	.	*	H	α-helix	trans	-63.6	-37.8	175	-70.1	172.2	0	0	0	112.1	E912 L919 G920 L921 V922	E912-L916 HydrophobicContact CG-CD1 3.98Å; E912-L916 HydrophobicContact CG-CG 4.36Å; E912-L916 WeakPolarHBondContact O-CB 3.31Å; E912-L916 VanDerWaalsContact O-CG 3.27Å; E912-L916 WeakPolarHBondContact O-CG 3.27Å; E912-L916 PolarHBondContact O-N 2.79Å; L916-L919 PolarHBondContact O-N 2.97Å; L916-G920 PolarHBondContact O-N 2.89Å; L916-L921 HydrophobicContact CD2-CB 4.28Å; L916-L921 HydrophobicContact CD2-CD1 3.83Å; L916-L921 PolarHBondContact O-N 3.11Å; L916-V922 HydrophobicContact CB-CB 4.47Å; L916-V922 HydrophobicContact CB-CG2 3.73Å; L916-V922 HydrophobicContact CD1-CG2 4.2Å
917	R	80.5	Confident	77.6	Confident	140 Å²	140	111.9 Å²	111.9	53%	0.528	57%	0.574	S	S	.	*	H	α-helix	trans	-61.2	-43	169.4	-85.5	-175.1	-88.3	-176.9	-12.4	112	H913 A914 F915 L919 G920 V922	H913-R917 WeakPolarHBondContact O-CB 3.48Å; H913-R917 WeakPolarHBondContact O-CG 3.34Å; H913-R917 PolarHBondContact O-N 2.65Å; H913-R917 PolarHBondContact O-NE 3.3Å; A914-R917 WeakPolarHBondContact O-CB 3.5Å; A914-R917 PolarHBondContact O-N 3.32Å; F915-R917 VanDerWaalsContact C-N 3.34Å; F915-R917 PolarHBondContact O-N 2.96Å; R917-L919 PolarHBondContact O-N 3.4Å; R917-G920 PolarHBondContact O-N 3.46Å; R917-V922 HydrophobicContact CG-CB 4.45Å
918	S	78.6	Confident	77.2	Confident	94 Å²	94	110.7 Å²	110.7	66%	0.657	57%	0.574	S	S	*	*	H	α-helix	trans	-65.2	-27.6	178.1	79.8	0	0	0	0	113.2	A914 F915 G920	A914-S918 PolarHBondContact O-N 2.96Å; F915-S918 WeakPolarHBondContact O-CB 3.33Å; F915-S918 PolarHBondContact O-N 3.18Å; F915-S918 VanDerWaalsContact O-N 3.11Å; F915-S918 PolarHBondContact O-OG 3.4Å; S918-G920 VanDerWaalsContact C-N 3.32Å
919	L	83.1	Confident	76.6	Confident	98 Å²	98	109.7 Å²	109.7	51%	0.513	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.9	-5.8	172.6	-79.5	159.5	0	0	0	113.4	F915 L916 R917 L921	F915-L919 HydrophobicContact CD1-CD1 3.73Å; F915-L919 HydrophobicContact CE1-CD1 3.3Å; F915-L919 HydrophobicContact CE2-CD1 4.28Å; F915-L919 HydrophobicContact CG-CD1 4.39Å; F915-L919 HydrophobicContact CZ-CD1 3.62Å; F915-L919 PolarHBondContact O-N 3.33Å; L916-L919 PolarHBondContact O-N 2.97Å; R917-L919 PolarHBondContact O-N 3.4Å; L919-L921 HydrophobicContact CB-CD1 3.81Å; L919-L921 HydrophobicContact CB-CG 3.99Å; L919-L921 HydrophobicContact CD1-CD1 4.12Å; L919-L921 PolarHBondContact O-N 3.41Å
920	G	79.1	Confident	76.1	Confident	65 Å²	65	112.4 Å²	112.4	67%	0.67	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.6	21.8	-175.9	0	0	0	0	0	114	L916 R917 S918	L916-G920 PolarHBondContact O-N 2.89Å; R917-G920 PolarHBondContact O-N 3.46Å; S918-G920 VanDerWaalsContact C-N 3.32Å
921	L	79.6	Confident	75.6	Confident	120 Å²	120	114.9 Å²	114.9	63%	0.628	60%	0.598	S	S	*	*			trans	-88.4	-14	-178.4	-70.3	168	0	0	0	113.3	L916 L919	L916-L921 HydrophobicContact CD2-CB 4.28Å; L916-L921 HydrophobicContact CD2-CD1 3.83Å; L916-L921 PolarHBondContact O-N 3.11Å; L919-L921 HydrophobicContact CB-CD1 3.81Å; L919-L921 HydrophobicContact CB-CG 3.99Å; L919-L921 HydrophobicContact CD1-CD1 4.12Å; L919-L921 PolarHBondContact O-N 3.41Å
922	V	72.7	Confident	75	Confident	46 Å²	46	115.1 Å²	115.1	28%	0.279	60%	0.603	S	S	.	*	S	Bend	trans	-130.1	123	-179.7	177	0	0	0	0	108.6	L916 R917	L916-V922 HydrophobicContact CB-CB 4.47Å; L916-V922 HydrophobicContact CB-CG2 3.73Å; L916-V922 HydrophobicContact CD1-CG2 4.2Å; R917-V922 HydrophobicContact CG-CB 4.45Å
923	E	71.6	Confident	74.3	Confident	178 Å²	178	117.9 Å²	117.9	83%	0.832	62%	0.62	S	S	*	*			trans	-73.7	153.3	178.1	-65.4	-177.5	161.4	0	0	111.1	E925	E923-E925 PolarHBondContact O-N 3.23Å
924	E	63.8	Low	73.7	Confident	180 Å²	180	120.8 Å²	120.8	84%	0.841	64%	0.64	S	S	*	*			trans	-60.2	120	173.8	-74.5	-179.7	152.3	0	0	109	D926	E924-D926 PolarHBondContact O-N 3.24Å
925	E	60.5	Low	73	Confident	183 Å²	183	126.8 Å²	126.8	86%	0.855	66%	0.659	S	S	*	*			trans	-68.1	114.5	164.8	-71.7	-174.9	159.1	0	0	107.6	E923	E923-E925 PolarHBondContact O-N 3.23Å
926	D	39.3	Very low	72.2	Confident	239 Å²	239	126.5 Å²	126.5	100%	1.278	67%	0.667	S	S	*	*			trans	-52.9	0	174.2	-80.5	-40.9	0	0	0	114.1	E924	E924-D926 PolarHBondContact O-N 3.24Å

Retrieved 926 of 926 residues in 220.9 ms (Link to these results)

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