A0A087Y265_POEFO Loading...

Myosin Ic, paralog b

AlphaFold DB , UniProt , Accession A0A087Y265, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,064 aa.

						>A0A087Y265_POEFO|A0A087Y265
MMELRIQLIPTGEIILPPGKNGENYCHSCKVVASDGVRAMMESALTARDRVGVQDFVLLENFTSEAAFIENLRKRFKENLIYTYIGSVLVSVNPYKDLEIYTKNHMERYRGVNFYEVSPHIYAVSDNAYRSMRTERKDQCILISGESGAGKTEASKKILQYYAVTCPASEQVQTVKDRLLQSNPVLEAFGNAKTLRNDNSSRFGKYMDVQFDFKGAPVGGHIINYLLEKSRVVHQNHGERNFHIFYQMIEGGEEDLLRRLGLERNTQQYQYLVKGNCPKVSSINDRSDWKVVRKALTVIGFSDDEVEELLNIIASVLHLGNVQYGEEEGYAHITSDTQIKYLARLLGVNGTVLTEALTHKKIIAKGEELVSPLNLEQASSARDALSKAVYGRTFTWLVNKINTSLTYKDESHKNASVIGLLDIYGFEVFQHNSFEQFCINYCNEKLQQLFIELTLKSEQEEYEAEGITWEPVQYFNNKIICDLVEEKFKGIISILDEECLRPGDASDFTFLEKLEDTLGGHPHFVTHKLADGKTRKVMGREEFRLLHYAGEVNYNVNGFLDKNNDLLFRNLKEVMCLSENKILTQCFDRDELSDKKRPDTAATQFKASLAKLMEILMSKEPSYVRCIKPNDSKQASRFDEVLIRHQVKYLGLMENLRVRRAGFAYRRRYEIFLQRYKSLCPETWPNWNGKLSDGVSTLVKHMGYKPEEYKLGRSKIFIRFPKTLFATEDALETRKHGIATKLQAGWKGYCQKTKYQKLRTSAIAIQAWWRGILARRKAQRRRQAANTIRRFIKGFIYRHKERCPENEYFLDYVRYSFLMNLHRNLPKNVLDKSWPTPPAALTEASELLRKMCMQNMVWSYCKKINSEWKHQMEQKMIASEIFKDKKDNYPQSVPKLFVGTRLNGEDINPKAIQALGNEKMKYAVPVTKYDRKGYKSRSRQLLLTSNSAIIVEEGKLKQRIDYGALKGISVSSLSDGLFVLHVPSEDNKQKGDVVLQSDHVIETLTKIAICADKINSININQGSIKFTAGNGKEGIIDFTPGSELHVEKAKNGHLSVTAPRLNSR
					

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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	32.2	Very low	28.7	Very low	251 Å²	251	172 Å²	172	100%	1.236	87%	0.865	S	S	*	*				0	132	0	-110.8	-173.5	-85.4	0	0	107.9
2	M	26.8	Very low	28.8	Very low	195 Å²	195	163.7 Å²	163.7	96%	0.961	86%	0.855	S	S	*	*			trans	-59.4	152.1	-165.3	-75.9	164.2	157.1	0	0	116.4
3	E	29.6	Very low	28.8	Very low	161 Å²	161	165.6 Å²	165.6	75%	0.752	86%	0.857	S	S	*	*			trans	-68.4	153.2	164.2	-66.9	-178.5	136.9	0	0	112.8
4	L	25.7	Very low	28.8	Very low	178 Å²	178	164.9 Å²	164.9	93%	0.932	85%	0.853	S	S	*	*			trans	-153.8	136.1	134.3	-109.8	159	0	0	0	110.8
5	R	26.6	Very low	28.7	Very low	207 Å²	207	164.3 Å²	164.3	78%	0.781	85%	0.849	S	S	*	*			trans	-79.9	151.5	-166.3	-65.1	170.2	172.9	178.7	-4.6	113.3
6	I	28	Very low	28.7	Very low	161 Å²	161	163.8 Å²	163.8	83%	0.826	85%	0.847	S	S	*	*			trans	-126.6	117.3	153.8	-61.4	178.5	0	0	0	107.8
7	Q	24.1	Very low	28.7	Very low	173 Å²	173	160.6 Å²	160.6	81%	0.808	84%	0.84	S	S	*	*			trans	-74.9	130.4	170.1	-85.5	174.2	-34	0	0	109.9
8	L	30.6	Very low	29	Very low	168 Å²	168	159.2 Å²	159.2	88%	0.88	84%	0.842	S	S	*	*			trans	-107.9	114.9	161.7	-75.2	164.4	0	0	0	107.5
9	I	31.9	Very low	28.9	Very low	143 Å²	143	155.1 Å²	155.1	73%	0.733	84%	0.841	S	S	*	*			trans	-89.3	131.4	170.9	-62.8	174.4	0	0	0	107.6
10	P	30.7	Very low	28.9	Very low	117 Å²	117	157.2 Å²	157.2	76%	0.76	84%	0.842	S	S	*	*			trans	-83.4	118.3	-174.4	31.9	-32.4	0	0	0	111.5
11	T	29.7	Very low	28.9	Very low	138 Å²	138	157 Å²	157	85%	0.847	84%	0.841	S	S	*	*			trans	-89.8	100.2	160.9	50	0	0	0	0	108.1	E13	T11-E13 PolarHBondContact O-N 3.1Å
12	G	30.3	Very low	28.7	Very low	72 Å²	72	148.6 Å²	148.6	74%	0.742	82%	0.818	S	S	*	*			trans	-64.9	110.6	177.4	0	0	0	0	0	111.8
13	E	28.3	Very low	28.7	Very low	189 Å²	189	148.9 Å²	148.9	88%	0.883	82%	0.818	S	S	*	*			trans	-75	115.5	155.2	-73.8	-177.3	153	0	0	108	T11	T11-E13 PolarHBondContact O-N 3.1Å
14	I	29.3	Very low	28.8	Very low	156 Å²	156	148.5 Å²	148.5	80%	0.8	82%	0.82	S	S	*	*			trans	-91.1	115.1	167.2	-64.4	176.3	0	0	0	107.8
15	I	27.4	Very low	28.8	Very low	155 Å²	155	151.7 Å²	151.7	80%	0.795	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-64.5	122.6	167.2	-61.8	166.3	0	0	0	108.2
16	L	27.6	Very low	28.7	Very low	157 Å²	157	146.3 Å²	146.3	82%	0.822	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-90.9	130.4	169	-78.3	167.5	0	0	0	110.4
17	P	28.8	Very low	28.6	Very low	110 Å²	110	147.1 Å²	147.1	71%	0.714	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-87.2	166.7	175.2	35.5	-32.2	0	0	0	112.1
18	P	33.8	Very low	28.7	Very low	135 Å²	135	143.9 Å²	143.9	88%	0.877	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-88.5	137.4	-179.8	34.6	-29.6	0	0	0	111.4
19	G	27.1	Very low	28.3	Very low	81 Å²	81	141.7 Å²	141.7	84%	0.835	81%	0.809	S	S	*	*			trans	-169.8	134.3	175.7	0	0	0	0	0	114.9
20	K	29.1	Very low	27.9	Very low	196 Å²	196	144.9 Å²	144.9	85%	0.852	82%	0.817	S	S	*	*			trans	-78.8	168	-169.8	-74.4	169.9	168.7	177	0	115.5
21	N	28.7	Very low	27.6	Very low	154 Å²	154	145.7 Å²	145.7	82%	0.824	82%	0.82	S	S	*	*			trans	88	118.5	151.1	-66.7	-8.7	0	0	0	119.7
22	G	28.8	Very low	27.5	Very low	74 Å²	74	146.1 Å²	146.1	76%	0.763	82%	0.822	S	S	*	*				74.7	121.2	108.4	0	0	0	0	0	120.1
23	E	27.3	Very low	27.3	Very low	202 Å²	202	146 Å²	146	94%	0.944	81%	0.814	S	S	*	*			trans	91.7	133.4	156.1	-60.8	-171	162.8	0	0	120.3
24	N	31.3	Very low	27.3	Very low	152 Å²	152	142.7 Å²	142.7	81%	0.813	81%	0.811	S	S	*	*			trans	-68.1	144.7	-175.6	-67.2	-44.1	0	0	0	112.5
25	Y	25.9	Very low	27.1	Very low	246 Å²	246	141.8 Å²	141.8	97%	0.965	81%	0.809	S	S	*	*			trans	-158.9	142.5	132.3	-101	-75.4	0	0	0	111.4
26	C	23.8	Very low	27.2	Very low	94 Å²	94	137.5 Å²	137.5	64%	0.635	80%	0.802	S	S	*	*			trans	-85.3	133.4	-172.1	-171.7	0	0	0	0	112.2
27	H	26.3	Very low	27.4	Very low	177 Å²	177	136.5 Å²	136.5	82%	0.819	80%	0.802	S	S	*	*				160.1	140.7	114	-100.2	-57.1	0	0	0	114.2
28	S	25.2	Very low	27.3	Very low	105 Å²	105	142.9 Å²	142.9	73%	0.734	81%	0.812	S	S	*	*			trans	81.9	89.4	144.9	-178.5	0	0	0	0	119.5
29	C	22.8	Very low	26.8	Very low	122 Å²	122	140.4 Å²	140.4	82%	0.824	80%	0.803	S	S	*	*				-175.3	100.3	121.4	-101.8	0	0	0	0	109.7	V31	C29-V31 PolarHBondContact O-N 2.71Å
30	K	23.6	Very low	27.2	Very low	211 Å²	211	143.4 Å²	143.4	92%	0.917	80%	0.797	S	S	*	*			trans	-78.3	110.9	177.3	-83.3	-179.5	175.1	177.2	0	110
31	V	25.4	Very low	27.5	Very low	134 Å²	134	139.1 Å²	139.1	81%	0.812	78%	0.781	S	S	*	*			trans	-84.9	121.6	154.9	176.6	0	0	0	0	107	C29 A33	C29-V31 PolarHBondContact O-N 2.71Å; V31-A33 PolarHBondContact O-N 3.2Å
32	V	27.5	Very low	27.5	Very low	146 Å²	146	141.3 Å²	141.3	89%	0.885	79%	0.787	S	S	*	*			trans	-68.6	96.4	178.4	178.3	0	0	0	0	108.3
33	A	25.3	Very low	27.8	Very low	70 Å²	70	140.3 Å²	140.3	58%	0.579	77%	0.768	S	S	*	*			trans	-100.1	140.4	174.3	0	0	0	0	0	111	V31 D35	V31-A33 PolarHBondContact O-N 3.2Å; A33-D35 VanDerWaalsContact C-N 3.3Å; A33-D35 PolarHBondContact O-N 3.24Å
34	S	28.2	Very low	28.4	Very low	119 Å²	119	133 Å²	133	83%	0.832	74%	0.742	S	S	*	*			trans	-71.1	64.4	-175.4	57.7	0	0	0	0	114.1	G36	S34-G36 PolarHBondContact O-N 3.37Å
35	D	25.5	Very low	28.5	Very low	138 Å²	138	131 Å²	131	74%	0.738	73%	0.731	S	S	*	*			trans	-93.5	23	-179.2	-83.1	-28.9	0	0	0	114.7	A33	A33-D35 VanDerWaalsContact C-N 3.3Å; A33-D35 PolarHBondContact O-N 3.24Å
36	G	28.4	Very low	29	Very low	64 Å²	64	123.9 Å²	123.9	66%	0.66	71%	0.713	S	S	*	*	S	Bend	trans	-83	-9.4	-176.2	0	0	0	0	0	116.8	S34	S34-G36 PolarHBondContact O-N 3.37Å
37	V	32.8	Very low	29.8	Very low	137 Å²	137	121 Å²	121	83%	0.83	70%	0.696	S	S	*	*	S	Bend	trans	-110.4	-18.5	-166.4	-175.2	0	0	0	0	113.6
38	R	26.5	Very low	30.9	Very low	244 Å²	244	115.9 Å²	115.9	92%	0.921	67%	0.669	S	S	*	*	S	Bend	trans	-97.9	-8.8	-168.2	-154.5	170.9	174.2	-179.4	-4.4	115.2
39	A	24	Very low	32.1	Very low	83 Å²	83	116.6 Å²	116.6	69%	0.686	67%	0.665	S	S	*	*	S	Bend	trans	-106.2	16.9	-174.9	0	0	0	0	0	114.9	S43	A39-S43 PolarHBondContact O-OG 2.84Å
40	M	35	Very low	33.7	Very low	144 Å²	144	119.2 Å²	119.2	71%	0.709	66%	0.657	S	S	*	*	S	Bend	trans	-102.5	-7.9	-166.2	-115.7	-171.6	168.5	0	0	117.3
41	M	36	Very low	35.9	Very low	105 Å²	105	110.7 Å²	110.7	52%	0.517	62%	0.623	S	S	.	*	S	Bend	trans	-117.2	-31.6	-159.9	-77.2	-177	119.3	0	0	117.6	S43 A44 E732	M41-S43 PolarHBondContact O-N 2.99Å; M41-S43 VanDerWaalsContact O-N 3.11Å; M41-A44 PolarHBondContact O-N 3.24Å; M41-A44 VanDerWaalsContact O-N 3.15Å; M41-E732 WeakPolarHBondContact CB-OE1 3.44Å; M41-E732 HydrophobicContact CE-CG 3.96Å; M41-E732 WeakPolarHBondContact CE-OE1 3.45Å; M41-E732 VanDerWaalsContact CE-OE2 3.26Å; M41-E732 WeakPolarHBondContact CE-OE2 3.37Å; M41-E732 WeakPolarHBondContact CG-OE1 3.4Å
42	E	28.3	Very low	38.4	Very low	200 Å²	200	104.9 Å²	104.9	94%	0.935	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	-15	162.7	-84.9	-179.5	165	0	0	111.8	T46	E42-T46 PolarHBondContact O-OG1 3.38Å
43	S	35.3	Very low	41	Very low	53 Å²	53	98.8 Å²	98.8	37%	0.371	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.2	-8.9	177.1	-34.3	0	0	0	0	113.5	A39 M41 A47	A39-S43 PolarHBondContact O-OG 2.84Å; M41-S43 PolarHBondContact O-N 2.99Å; M41-S43 VanDerWaalsContact O-N 3.11Å; S43-A47 WeakPolarHBondContact O-CA 3.41Å; S43-A47 WeakPolarHBondContact O-CB 3.44Å; S43-A47 PolarHBondContact O-N 2.89Å
44	A	38.4	Very low	43.7	Very low	48 Å²	48	100.2 Å²	100.2	40%	0.397	55%	0.548	S	S	.	.	H	α-helix	trans	-72.1	-36.2	-166	0	0	0	0	0	114.5	M41 R48	M41-A44 PolarHBondContact O-N 3.24Å; M41-A44 VanDerWaalsContact O-N 3.15Å; A44-R48 VanDerWaalsContact O-CB 3.25Å; A44-R48 WeakPolarHBondContact O-CB 3.47Å; A44-R48 PolarHBondContact O-N 3.21Å
45	L	34.8	Very low	46.3	Very low	111 Å²	111	95.2 Å²	95.2	58%	0.581	51%	0.512	S	S	*	.	H	α-helix	trans	-78.1	-43.4	176.2	-74.5	163.1	0	0	0	111.7	R48 D49	L45-R48 WeakPolarHBondContact O-CB 3.19Å; L45-R48 PolarHBondContact O-N 3.46Å; L45-D49 PolarHBondContact O-N 3.24Å
46	T	36.1	Very low	49.2	Very low	97 Å²	97	88.7 Å²	88.7	60%	0.595	48%	0.477	S	S	*	.	H	α-helix	trans	-68.7	-31.7	173	24.9	0	0	0	0	112.8	E42 R50	E42-T46 PolarHBondContact O-OG1 3.38Å; T46-R50 VanDerWaalsContact O-CB 3.28Å; T46-R50 WeakPolarHBondContact O-CB 3.27Å; T46-R50 PolarHBondContact O-N 3.36Å; T46-R50 VanDerWaalsContact O-N 3.16Å
47	A	40.6	Very low	51.5	Low	32 Å²	32	85.7 Å²	85.7	26%	0.264	45%	0.446	S	S	.	.	H	α-helix	trans	-77.6	-26.8	171.6	0	0	0	0	0	111.5	S43 R50 V51	S43-A47 WeakPolarHBondContact O-CA 3.41Å; S43-A47 WeakPolarHBondContact O-CB 3.44Å; S43-A47 PolarHBondContact O-N 2.89Å; A47-R50 PolarHBondContact O-N 3.49Å; A47-V51 HydrophobicContact CB-CG2 4.1Å; A47-V51 WeakPolarHBondContact O-CA 3.48Å; A47-V51 WeakPolarHBondContact O-CB 3.45Å; A47-V51 WeakPolarHBondContact O-CG2 3.21Å; A47-V51 PolarHBondContact O-N 3.17Å
48	R	49.2	Very low	53.5	Low	71 Å²	71	80.6 Å²	80.6	27%	0.268	41%	0.414	S	S	.	.	H	α-helix	trans	-65.5	-42.2	171.6	-176.3	177.7	172.6	-179.9	-4.3	111.3	A44 L45 R50 G52	A44-R48 VanDerWaalsContact O-CB 3.25Å; A44-R48 WeakPolarHBondContact O-CB 3.47Å; A44-R48 PolarHBondContact O-N 3.21Å; L45-R48 WeakPolarHBondContact O-CB 3.19Å; L45-R48 PolarHBondContact O-N 3.46Å; R48-R50 VanDerWaalsContact C-N 3.3Å; R48-R50 PolarHBondContact O-N 2.84Å; R48-G52 WeakPolarHBondContact O-CA 3.35Å; R48-G52 PolarHBondContact O-N 3.19Å
49	D	49.8	Very low	55.8	Low	120 Å²	120	69.6 Å²	69.6	64%	0.642	37%	0.373	S	S	*	.	H	α-helix	trans	-66.2	-32.4	173.3	-81.4	-24.2	0	0	0	112.9	L45 K74	L45-D49 PolarHBondContact O-N 3.24Å; D49-K74 PolarHBondContact O-NZ 2.88Å
50	R	56.5	Low	57.9	Low	177 Å²	177	72.7 Å²	72.7	67%	0.668	37%	0.374	S	S	*	.	H	α-helix	trans	-84.5	-36.3	-179	-168.6	176.4	176.6	168	2.8	114.5	T46 A47 R48 E78	T46-R50 VanDerWaalsContact O-CB 3.28Å; T46-R50 WeakPolarHBondContact O-CB 3.27Å; T46-R50 PolarHBondContact O-N 3.36Å; T46-R50 VanDerWaalsContact O-N 3.16Å; A47-R50 PolarHBondContact O-N 3.49Å; R48-R50 VanDerWaalsContact C-N 3.3Å; R48-R50 PolarHBondContact O-N 2.84Å; R50-E78 IonicContact NE-OE1 3.92Å
51	V	70.7	Confident	59.7	Low	31 Å²	31	71 Å²	71	19%	0.188	37%	0.367	C	S	.	.	H	α-helix	trans	-109.9	-26.4	-168	-174.4	0	0	0	0	112.1	A47 R75 E78 L80	A47-V51 HydrophobicContact CB-CG2 4.1Å; A47-V51 WeakPolarHBondContact O-CA 3.48Å; A47-V51 WeakPolarHBondContact O-CB 3.45Å; A47-V51 WeakPolarHBondContact O-CG2 3.21Å; A47-V51 PolarHBondContact O-N 3.17Å; V51-R75 WeakPolarHBondContact O-CA 3.36Å; V51-R75 WeakPolarHBondContact O-CG 3.44Å; V51-R75 PolarHBondContact O-N 3.35Å; V51-E78 HydrophobicContact CG1-CB 4.47Å; V51-E78 HydrophobicContact CG2-CG 4.25Å; V51-L80 HydrophobicContact CG1-CD1 3.28Å
52	G	78.1	Confident	61.3	Low	13 Å²	13	68.9 Å²	68.9	13%	0.134	36%	0.355	C	S	.	.			trans	90.4	174.5	-179.4	0	0	0	0	0	115.1	R48 N71	R48-G52 WeakPolarHBondContact O-CA 3.35Å; R48-G52 PolarHBondContact O-N 3.19Å; G52-N71 WeakPolarHBondContact CA-OD1 3.21Å
53	V	81.5	Confident	63.4	Low	17 Å²	17	63.6 Å²	63.6	10%	0.103	34%	0.337	C	S	.	.			trans	-83	139.8	-178.5	-63.4	0	0	0	0	112.5	L59 N71 R75	V53-L59 HydrophobicContact CG2-CB 4.27Å; V53-L59 HydrophobicContact CG2-CD1 4.36Å; V53-N71 WeakPolarHBondContact CG2-ND2 3.48Å; V53-N71 WeakPolarHBondContact CG2-OD1 3.49Å; V53-N71 PolarHBondContact N-OD1 2.99Å; V53-N71 PolarHBondContact O-ND2 2.8Å; V53-N71 VanDerWaalsContact O-ND2 3.14Å; V53-R75 VanDerWaalsContact O-CD 3.29Å; V53-R75 WeakPolarHBondContact O-CD 3.45Å
54	Q	83.2	Confident	65.6	Low	101 Å²	101	63.2 Å²	63.2	47%	0.472	33%	0.334	S	S	.	.	S	Bend	trans	-76.7	-25.2	-179.1	-67.3	-175.9	8.6	0	0	113.8	T83 Y84 P119	Q54-T83 WeakPolarHBondContact O-CG2 3.38Å; Q54-Y84 PolarHBondContact O-N 3.24Å; Q54-P119 HydrophobicContact CB-CG 3.76Å; Q54-P119 HydrophobicContact CG-CG 4.35Å; Q54-P119 VanDerWaalsContact O-CG 3.24Å; Q54-P119 WeakPolarHBondContact O-CG 3.45Å
55	D	82.8	Confident	67.8	Low	14 Å²	14	64 Å²	64	8%	0.075	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-128.8	127	175.3	-172.3	-17	0	0	0	109.1	V57 L58 Y84 G86	D55-V57 PolarHBondContact O-N 3.49Å; D55-V57 WeakPolarHBondContact OD1-CB 3.21Å; D55-V57 WeakPolarHBondContact OD1-CG2 3.49Å; D55-V57 PolarHBondContact OD1-N 2.88Å; D55-L58 HydrophobicContact CB-CD1 3.93Å; D55-L58 HydrophobicContact CB-CG 4.08Å; D55-L58 VanDerWaalsContact O-CB 3.28Å; D55-L58 WeakPolarHBondContact O-CB 3.32Å; D55-L58 PolarHBondContact O-N 3.42Å; D55-Y84 CarbonylContact C-O 3.57Å; D55-Y84 WeakPolarHBondContact CA-O 3.48Å; D55-G86 PolarHBondContact OD1-N 3.02Å; D55-G86 PolarHBondContact OD2-N 3.29Å
56	F	84.9	Confident	70.3	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-63.9	-25.4	179	-77.8	-69.6	0	0	0	113.3	L58 L59 F68 N71 L72 T83 Y84 I85 V90 L656	F56-L58 PolarHBondContact O-N 3Å; F56-L58 VanDerWaalsContact O-N 3.09Å; F56-L59 HydrophobicContact CD1-CD1 3.69Å; F56-L59 HydrophobicContact CE1-CD1 4.07Å; F56-L59 WeakPolarHBondContact O-CB 3.38Å; F56-L59 PolarHBondContact O-N 3.49Å; F56-F68 HydrophobicContact CB-CE2 4Å; F56-F68 AromaticContact CD1-CD2 3.41Å; F56-F68 HydrophobicContact CD1-CD2 3.41Å; F56-F68 VanDerWaalsContact CD1-CD2 3.41Å; F56-F68 HydrophobicContact CD1-CE1 4.45Å; F56-F68 AromaticContact CD1-CE2 3.33Å; F56-F68 HydrophobicContact CD1-CE2 3.33Å; F56-F68 HydrophobicContact CD1-CG 4.04Å; F56-F68 AromaticContact CD1-CZ 3.88Å; F56-F68 HydrophobicContact CD1-CZ 3.88Å; F56-F68 AromaticContact CD2-CE2 3.75Å; F56-F68 HydrophobicContact CD2-CE2 3.75Å; F56-F68 AromaticContact CD2-CZ 3.72Å; F56-F68 HydrophobicContact CD2-CZ 3.72Å; F56-F68 AromaticContact CE1-CD1 3.9Å; F56-F68 HydrophobicContact CE1-CD1 3.9Å; F56-F68 AromaticContact CE1-CD2 3.61Å; F56-F68 HydrophobicContact CE1-CD2 3.61Å; F56-F68 AromaticContact CE1-CE1 3.88Å; F56-F68 HydrophobicContact CE1-CE1 3.88Å; F56-F68 AromaticContact CE1-CE2 3.61Å; F56-F68 HydrophobicContact CE1-CE2 3.61Å; F56-F68 AromaticContact CE1-CG 3.76Å; F56-F68 HydrophobicContact CE1-CG 3.76Å; F56-F68 AromaticContact CE1-CZ 3.73Å; F56-F68 HydrophobicContact CE1-CZ 3.73Å; F56-F68 HydrophobicContact CE2-CE1 4.05Å; F56-F68 AromaticContact CE2-CE2 3.99Å; F56-F68 HydrophobicContact CE2-CE2 3.99Å; F56-F68 AromaticContact CE2-CZ 3.56Å; F56-F68 HydrophobicContact CE2-CZ 3.56Å; F56-F68 AromaticContact CG-CD2 3.98Å; F56-F68 HydrophobicContact CG-CD2 3.98Å; F56-F68 AromaticContact CG-CE2 3.41Å; F56-F68 HydrophobicContact CG-CE2 3.41Å; F56-F68 VanDerWaalsContact CG-CE2 3.41Å; F56-F68 AromaticContact CG-CZ 3.88Å; F56-F68 HydrophobicContact CG-CZ 3.88Å; F56-F68 HydrophobicContact CZ-CD1 4.1Å; F56-F68 HydrophobicContact CZ-CD2 4.33Å; F56-F68 AromaticContact CZ-CE1 3.68Å; F56-F68 HydrophobicContact CZ-CE1 3.68Å; F56-F68 AromaticContact CZ-CE2 3.95Å; F56-F68 HydrophobicContact CZ-CE2 3.95Å; F56-F68 HydrophobicContact CZ-CG 4.4Å; F56-F68 AromaticContact CZ-CZ 3.59Å; F56-F68 HydrophobicContact CZ-CZ 3.59Å; F56-N71 HydrophobicContact CE1-CB 3.94Å; F56-N71 VanDerWaalsContact CE1-ND2 3.31Å; F56-N71 WeakPolarHBondContact CE1-ND2 3.15Å; F56-L72 HydrophobicContact CE2-CD2 3.98Å; F56-L72 HydrophobicContact CZ-CD2 3.52Å; F56-L72 HydrophobicContact CZ-CG 3.71Å; F56-T83 HydrophobicContact CD2-CG2 3.68Å; F56-T83 HydrophobicContact CE2-CG2 3.36Å; F56-T83 HydrophobicContact CG-CG2 4.44Å; F56-T83 HydrophobicContact CZ-CG2 3.87Å; F56-Y84 WeakPolarHBondContact CD2-O 3.45Å; F56-Y84 PolarHBondContact N-O 3.28Å; F56-I85 HydrophobicContact CB-CG1 3.92Å; F56-I85 HydrophobicContact CD2-CD1 4.25Å; F56-I85 HydrophobicContact CD2-CG1 3.49Å; F56-I85 VanDerWaalsContact CD2-CG1 3.49Å; F56-I85 HydrophobicContact CE2-CG1 4.43Å; F56-I85 HydrophobicContact CG-CG1 4.08Å; F56-V90 HydrophobicContact CE2-CG2 4.24Å; F56-L656 VanDerWaalsContact C-CD1 3.46Å; F56-L656 HydrophobicContact CB-CD1 4.02Å; F56-L656 HydrophobicContact CB-CD2 4.37Å; F56-L656 VanDerWaalsContact O-CD1 3.27Å; F56-L656 WeakPolarHBondContact O-CD1 3.32Å
57	V	77.7	Confident	72.7	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.012	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-57.2	-26.6	173	177.5	0	0	0	0	110.7	D55 I85 L656 R659 A664 P721	D55-V57 PolarHBondContact O-N 3.49Å; D55-V57 WeakPolarHBondContact OD1-CB 3.21Å; D55-V57 WeakPolarHBondContact OD1-CG2 3.49Å; D55-V57 PolarHBondContact OD1-N 2.88Å; V57-I85 HydrophobicContact CG2-CG2 4.5Å; V57-L656 HydrophobicContact CG2-CD1 4.25Å; V57-R659 HydrophobicContact CG2-CB 4.12Å; V57-A664 HydrophobicContact CG1-CB 3.46Å; V57-A664 VanDerWaalsContact CG1-CB 3.46Å; V57-P721 WeakPolarHBondContact O-CG 3.47Å
58	L	73.6	Confident	75	Confident	30 Å²	30	57 Å²	57	16%	0.157	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-85.5	-0.7	-179.8	-50.8	173.3	0	0	0	114.6	D55 F56 P721 F725	D55-L58 HydrophobicContact CB-CD1 3.93Å; D55-L58 HydrophobicContact CB-CG 4.08Å; D55-L58 VanDerWaalsContact O-CB 3.28Å; D55-L58 WeakPolarHBondContact O-CB 3.32Å; D55-L58 PolarHBondContact O-N 3.42Å; F56-L58 PolarHBondContact O-N 3Å; F56-L58 VanDerWaalsContact O-N 3.09Å; L58-P721 HydrophobicContact CB-CB 4.11Å; L58-P721 HydrophobicContact CB-CG 4.44Å; L58-P721 HydrophobicContact CD2-CB 3.64Å; L58-P721 HydrophobicContact CD2-CG 3.98Å; L58-P721 HydrophobicContact CG-CB 4.49Å; L58-F725 HydrophobicContact CB-CE2 3.84Å; L58-F725 HydrophobicContact CB-CZ 3.74Å; L58-F725 HydrophobicContact CD1-CE1 4.22Å; L58-F725 HydrophobicContact CD1-CE2 4.44Å; L58-F725 HydrophobicContact CD1-CZ 3.61Å; L58-F725 HydrophobicContact CD2-CE2 4.32Å; L58-F725 HydrophobicContact CD2-CZ 4.21Å; L58-F725 HydrophobicContact CG-CE2 4.41Å; L58-F725 HydrophobicContact CG-CZ 4.04Å
59	L	76.4	Confident	77	Confident	13 Å²	13	53.7 Å²	53.7	7%	0.068	29%	0.285	C	S	.	.			trans	-79.5	121.9	-173.9	-165.1	149.1	0	0	0	111.4	V53 F56 N61 A67 N71 R660	V53-L59 HydrophobicContact CG2-CB 4.27Å; V53-L59 HydrophobicContact CG2-CD1 4.36Å; F56-L59 HydrophobicContact CD1-CD1 3.69Å; F56-L59 HydrophobicContact CE1-CD1 4.07Å; F56-L59 WeakPolarHBondContact O-CB 3.38Å; F56-L59 PolarHBondContact O-N 3.49Å; L59-N61 WeakPolarHBondContact CD2-O 3.25Å; L59-N61 PolarHBondContact O-N 3.42Å; L59-A67 HydrophobicContact CD2-CB 3.8Å; L59-N71 HydrophobicContact CD1-CB 3.91Å; L59-R660 PolarHBondContact O-NH1 2.88Å
60	E	66.7	Low	79	Confident	148 Å²	148	51 Å²	51	69%	0.692	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-53.7	-169.9	-64.3	-177	171.3	0	0	114	F62 R660	E60-F62 PolarHBondContact O-N 3.4Å; E60-R660 PolarHBondContact O-NH1 3.37Å; E60-R660 PolarHBondContact O-NH2 3.48Å
61	N	72.7	Confident	80.6	Confident	107 Å²	107	43 Å²	43	57%	0.572	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.4	64.3	177.6	-75.4	-12.4	0	0	0	113.2	L59 T63 S64 A67	L59-N61 WeakPolarHBondContact CD2-O 3.25Å; L59-N61 PolarHBondContact O-N 3.42Å; N61-T63 PolarHBondContact O-N 3.11Å; N61-T63 VanDerWaalsContact O-N 3.15Å; N61-S64 WeakPolarHBondContact O-CB 3.43Å; N61-S64 PolarHBondContact O-N 3.43Å; N61-A67 HydrophobicContact CB-CB 4.22Å
62	F	69.1	Low	81.6	Confident	62 Å²	62	41.7 Å²	41.7	27%	0.272	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-18.2	179.1	69.2	-70	0	0	0	116.2	E60 M653 L656 R660	E60-F62 PolarHBondContact O-N 3.4Å; F62-M653 VanDerWaalsContact O-CE 3.27Å; F62-M653 WeakPolarHBondContact O-CE 3.45Å; F62-L656 HydrophobicContact CB-CD2 3.94Å; F62-L656 HydrophobicContact CB-CG 4.23Å; F62-R660 VanDerWaalsContact CD1-NH1 3.34Å; F62-R660 HydrophobicContact CD2-CB 4.49Å; F62-R660 HydrophobicContact CD2-CG 4.3Å; F62-R660 HydrophobicContact CE2-CG 4.46Å; F62-R660 VanDerWaalsContact CG-CD 3.44Å; F62-R660 HydrophobicContact CG-CG 4.47Å
63	T	73.1	Confident	82.3	Confident	88 Å²	88	46.2 Å²	46.2	54%	0.54	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-20.1	175.4	50.5	0	0	0	0	112.2	N61	N61-T63 PolarHBondContact O-N 3.11Å; N61-T63 VanDerWaalsContact O-N 3.15Å
64	S	82.7	Confident	82.7	Confident	45 Å²	45	48.4 Å²	48.4	32%	0.315	25%	0.252	S	S	.	.			trans	-88.6	114.7	-177.9	-177.2	0	0	0	0	111.2	N61 A66 A67 F68	N61-S64 WeakPolarHBondContact O-CB 3.43Å; N61-S64 PolarHBondContact O-N 3.43Å; S64-A66 VanDerWaalsContact C-N 3.26Å; S64-A66 PolarHBondContact O-N 3.08Å; S64-A67 PolarHBondContact O-N 2.78Å; S64-A67 PolarHBondContact OG-N 2.79Å; S64-F68 PolarHBondContact O-N 3.1Å
65	E	84	Confident	83.2	Confident	66 Å²	66	44 Å²	44	31%	0.308	23%	0.231	S	C	.	.	H	α-helix	trans	-61.9	-35.5	172.4	-171.3	177.4	-169.3	0	0	111.9	A67 F68 I69 R644 M653	E65-A67 VanDerWaalsContact C-N 3.34Å; E65-A67 PolarHBondContact O-N 2.96Å; E65-F68 WeakPolarHBondContact O-CB 3.31Å; E65-F68 PolarHBondContact O-N 3Å; E65-I69 HydrophobicContact CG-CD1 4Å; E65-I69 WeakPolarHBondContact O-CG1 3.34Å; E65-I69 PolarHBondContact O-N 3.4Å; E65-R644 HydrophobicContact CG-CG 4.4Å; E65-R644 WeakPolarHBondContact OE1-CG 3.34Å; E65-M653 HydrophobicContact CB-CE 4.41Å
66	A	86.8	Confident	83.6	Confident	61 Å²	61	43.8 Å²	43.8	50%	0.504	23%	0.23	S	C	.	.	H	α-helix	trans	-61	-41.6	177.4	0	0	0	0	0	112.1	S64 F68 I69 E70	S64-A66 VanDerWaalsContact C-N 3.26Å; S64-A66 PolarHBondContact O-N 3.08Å; A66-F68 VanDerWaalsContact C-N 3.33Å; A66-F68 PolarHBondContact O-N 3.32Å; A66-I69 PolarHBondContact O-N 3.13Å; A66-E70 VanDerWaalsContact O-CB 3.29Å; A66-E70 WeakPolarHBondContact O-CB 3.32Å; A66-E70 PolarHBondContact O-N 3.42Å
67	A	86.4	Confident	83.9	Confident	30 Å²	30	51.4 Å²	51.4	25%	0.248	26%	0.263	C	S	.	.	H	α-helix	trans	-67.4	-34.7	178.1	0	0	0	0	0	112.2	L59 N61 S64 E65 N71	L59-A67 HydrophobicContact CD2-CB 3.8Å; N61-A67 HydrophobicContact CB-CB 4.22Å; S64-A67 PolarHBondContact O-N 2.78Å; S64-A67 PolarHBondContact OG-N 2.79Å; E65-A67 VanDerWaalsContact C-N 3.34Å; E65-A67 PolarHBondContact O-N 2.96Å; A67-N71 PolarHBondContact O-N 3.3Å; A67-N71 VanDerWaalsContact O-N 3.13Å
68	F	89.9	Confident	84.4	Confident	1 Å²	1	55 Å²	55	0%	0.004	28%	0.28	C	S	.	.	H	α-helix	trans	-63.1	-49.4	175	-169	-79.3	0	0	0	111.6	F56 S64 E65 A66 N71 L72 I85 V647 L652 M653 L656	F56-F68 HydrophobicContact CB-CE2 4Å; F56-F68 AromaticContact CD1-CD2 3.41Å; F56-F68 HydrophobicContact CD1-CD2 3.41Å; F56-F68 VanDerWaalsContact CD1-CD2 3.41Å; F56-F68 HydrophobicContact CD1-CE1 4.45Å; F56-F68 AromaticContact CD1-CE2 3.33Å; F56-F68 HydrophobicContact CD1-CE2 3.33Å; F56-F68 HydrophobicContact CD1-CG 4.04Å; F56-F68 AromaticContact CD1-CZ 3.88Å; F56-F68 HydrophobicContact CD1-CZ 3.88Å; F56-F68 AromaticContact CD2-CE2 3.75Å; F56-F68 HydrophobicContact CD2-CE2 3.75Å; F56-F68 AromaticContact CD2-CZ 3.72Å; F56-F68 HydrophobicContact CD2-CZ 3.72Å; F56-F68 AromaticContact CE1-CD1 3.9Å; F56-F68 HydrophobicContact CE1-CD1 3.9Å; F56-F68 AromaticContact CE1-CD2 3.61Å; F56-F68 HydrophobicContact CE1-CD2 3.61Å; F56-F68 AromaticContact CE1-CE1 3.88Å; F56-F68 HydrophobicContact CE1-CE1 3.88Å; F56-F68 AromaticContact CE1-CE2 3.61Å; F56-F68 HydrophobicContact CE1-CE2 3.61Å; F56-F68 AromaticContact CE1-CG 3.76Å; F56-F68 HydrophobicContact CE1-CG 3.76Å; F56-F68 AromaticContact CE1-CZ 3.73Å; F56-F68 HydrophobicContact CE1-CZ 3.73Å; F56-F68 HydrophobicContact CE2-CE1 4.05Å; F56-F68 AromaticContact CE2-CE2 3.99Å; F56-F68 HydrophobicContact CE2-CE2 3.99Å; F56-F68 AromaticContact CE2-CZ 3.56Å; F56-F68 HydrophobicContact CE2-CZ 3.56Å; F56-F68 AromaticContact CG-CD2 3.98Å; F56-F68 HydrophobicContact CG-CD2 3.98Å; F56-F68 AromaticContact CG-CE2 3.41Å; F56-F68 HydrophobicContact CG-CE2 3.41Å; F56-F68 VanDerWaalsContact CG-CE2 3.41Å; F56-F68 AromaticContact CG-CZ 3.88Å; F56-F68 HydrophobicContact CG-CZ 3.88Å; F56-F68 HydrophobicContact CZ-CD1 4.1Å; F56-F68 HydrophobicContact CZ-CD2 4.33Å; F56-F68 AromaticContact CZ-CE1 3.68Å; F56-F68 HydrophobicContact CZ-CE1 3.68Å; F56-F68 AromaticContact CZ-CE2 3.95Å; F56-F68 HydrophobicContact CZ-CE2 3.95Å; F56-F68 HydrophobicContact CZ-CG 4.4Å; F56-F68 AromaticContact CZ-CZ 3.59Å; F56-F68 HydrophobicContact CZ-CZ 3.59Å; S64-F68 PolarHBondContact O-N 3.1Å; E65-F68 WeakPolarHBondContact O-CB 3.31Å; E65-F68 PolarHBondContact O-N 3Å; A66-F68 VanDerWaalsContact C-N 3.33Å; A66-F68 PolarHBondContact O-N 3.32Å; F68-N71 PolarHBondContact O-N 3.02Å; F68-L72 HydrophobicContact CD1-CD1 4.19Å; F68-L72 HydrophobicContact CE1-CD1 3.89Å; F68-L72 HydrophobicContact CE1-CG 4.33Å; F68-L72 PolarHBondContact O-N 2.9Å; F68-I85 HydrophobicContact CE2-CD1 4.29Å; F68-I85 HydrophobicContact CZ-CD1 4.07Å; F68-V647 HydrophobicContact CD1-CG1 3.94Å; F68-V647 HydrophobicContact CD1-CG2 3.99Å; F68-V647 HydrophobicContact CE1-CG1 4.05Å; F68-V647 HydrophobicContact CE1-CG2 3.87Å; F68-L652 HydrophobicContact CE1-CB 4.36Å; F68-L652 HydrophobicContact CE1-CD1 4.12Å; F68-L652 HydrophobicContact CE2-CB 4.48Å; F68-L652 HydrophobicContact CZ-CB 3.85Å; F68-L652 HydrophobicContact CZ-CD1 4.1Å; F68-M653 HydrophobicContact CB-SD 3.81Å; F68-M653 HydrophobicContact CD2-SD 3.71Å; F68-M653 HydrophobicContact CE2-SD 4.47Å; F68-M653 HydrophobicContact CG-SD 3.83Å; F68-L656 HydrophobicContact CD2-CD2 3.92Å; F68-L656 HydrophobicContact CE2-CD2 4.19Å
69	I	91.4	Very high	85.2	Confident	1 Å²	1	57 Å²	57	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-67.4	-39.7	-179.1	-61.7	165.2	0	0	0	110.9	E65 A66 N71 L72 R73 F638 E640 R644 V647	E65-I69 HydrophobicContact CG-CD1 4Å; E65-I69 WeakPolarHBondContact O-CG1 3.34Å; E65-I69 PolarHBondContact O-N 3.4Å; A66-I69 PolarHBondContact O-N 3.13Å; I69-N71 VanDerWaalsContact C-N 3.27Å; I69-N71 PolarHBondContact O-N 2.84Å; I69-L72 WeakPolarHBondContact O-CB 3.19Å; I69-L72 PolarHBondContact O-N 2.96Å; I69-L72 VanDerWaalsContact O-N 3.17Å; I69-R73 WeakPolarHBondContact O-CB 3.38Å; I69-R73 PolarHBondContact O-N 3.09Å; I69-F638 HydrophobicContact CG2-CE1 3.83Å; I69-F638 HydrophobicContact CG2-CZ 4.02Å; I69-E640 HydrophobicContact CG2-CG 3.62Å; I69-R644 HydrophobicContact CD1-CB 3.64Å; I69-R644 HydrophobicContact CD1-CG 3.72Å; I69-V647 HydrophobicContact CG1-CG2 4.46Å
70	E	90	Very high	85.9	Confident	63 Å²	63	59.8 Å²	59.8	29%	0.294	31%	0.305	S	S	.	.	H	α-helix	trans	-60.3	-38.7	176.4	178.5	56.7	-162.9	0	0	111.9	A66 R73 K74	A66-E70 VanDerWaalsContact O-CB 3.29Å; A66-E70 WeakPolarHBondContact O-CB 3.32Å; A66-E70 PolarHBondContact O-N 3.42Å; E70-R73 PolarHBondContact O-N 3.01Å; E70-R73 IonicContact OE1-CZ 3.43Å; E70-R73 IonicContact OE1-NE 2.68Å; E70-R73 IonicContact OE1-NH2 3.27Å; E70-R73 PolarHBondContact OE1-NH2 2.95Å; E70-R73 IonicContact OE2-CZ 3.38Å; E70-R73 IonicContact OE2-NE 3.25Å; E70-R73 PolarHBondContact OE2-NE 3Å; E70-R73 IonicContact OE2-NH2 3.01Å; E70-R73 PolarHBondContact OE2-NH2 3.22Å; E70-K74 WeakPolarHBondContact O-CG 3.49Å; E70-K74 PolarHBondContact O-N 3.23Å; E70-K74 WeakPolarHBondContact OE1-CE 3.31Å
71	N	90.6	Very high	87.2	Confident	11 Å²	11	52.9 Å²	52.9	6%	0.059	27%	0.273	C	S	.	.	H	α-helix	trans	-64.1	-44.6	174.6	-172.8	58.3	0	0	0	112.2	G52 V53 F56 L59 A67 F68 I69 R73 K74 R75	G52-N71 WeakPolarHBondContact CA-OD1 3.21Å; V53-N71 WeakPolarHBondContact CG2-ND2 3.48Å; V53-N71 WeakPolarHBondContact CG2-OD1 3.49Å; V53-N71 PolarHBondContact N-OD1 2.99Å; V53-N71 PolarHBondContact O-ND2 2.8Å; V53-N71 VanDerWaalsContact O-ND2 3.14Å; F56-N71 HydrophobicContact CE1-CB 3.94Å; F56-N71 VanDerWaalsContact CE1-ND2 3.31Å; F56-N71 WeakPolarHBondContact CE1-ND2 3.15Å; L59-N71 HydrophobicContact CD1-CB 3.91Å; A67-N71 PolarHBondContact O-N 3.3Å; A67-N71 VanDerWaalsContact O-N 3.13Å; F68-N71 PolarHBondContact O-N 3.02Å; I69-N71 VanDerWaalsContact C-N 3.27Å; I69-N71 PolarHBondContact O-N 2.84Å; N71-R73 VanDerWaalsContact C-N 3.28Å; N71-R73 PolarHBondContact O-N 3.13Å; N71-K74 PolarHBondContact O-N 3.47Å; N71-R75 VanDerWaalsContact O-CG 3.3Å; N71-R75 WeakPolarHBondContact O-CG 3.39Å; N71-R75 PolarHBondContact O-N 2.89Å; N71-R75 VanDerWaalsContact O-N 3.14Å
72	L	92.5	Very high	88.3	Confident	3 Å²	3	48.2 Å²	48.2	2%	0.016	25%	0.247	C	C	.	.	H	α-helix	trans	-58.2	-43.4	173.5	-72.5	178.1	0	0	0	111.3	F56 F68 I69 R75 F76 V90 V92 I627 F638 I643 V647	F56-L72 HydrophobicContact CE2-CD2 3.98Å; F56-L72 HydrophobicContact CZ-CD2 3.52Å; F56-L72 HydrophobicContact CZ-CG 3.71Å; F68-L72 HydrophobicContact CD1-CD1 4.19Å; F68-L72 HydrophobicContact CE1-CD1 3.89Å; F68-L72 HydrophobicContact CE1-CG 4.33Å; F68-L72 PolarHBondContact O-N 2.9Å; I69-L72 WeakPolarHBondContact O-CB 3.19Å; I69-L72 PolarHBondContact O-N 2.96Å; I69-L72 VanDerWaalsContact O-N 3.17Å; L72-R75 PolarHBondContact O-N 3.28Å; L72-F76 WeakPolarHBondContact O-CB 3.35Å; L72-F76 PolarHBondContact O-N 3.31Å; L72-V90 HydrophobicContact CD2-CG1 4.19Å; L72-V92 HydrophobicContact CD2-CG2 4.08Å; L72-I627 HydrophobicContact CD1-CD1 3.9Å; L72-F638 HydrophobicContact CB-CE2 4.08Å; L72-F638 HydrophobicContact CB-CZ 4Å; L72-I643 HydrophobicContact CD1-CG2 4.02Å; L72-V647 HydrophobicContact CD1-CG2 4.27Å
73	R	91.9	Very high	89.4	Confident	108 Å²	108	45.3 Å²	45.3	41%	0.408	23%	0.234	S	C	.	.	H	α-helix	trans	-62.8	-47.4	-178.7	-167.9	-178.3	70.6	99.3	1.4	112	I69 E70 N71 F76 K77 F638	I69-R73 WeakPolarHBondContact O-CB 3.38Å; I69-R73 PolarHBondContact O-N 3.09Å; E70-R73 PolarHBondContact O-N 3.01Å; E70-R73 IonicContact OE1-CZ 3.43Å; E70-R73 IonicContact OE1-NE 2.68Å; E70-R73 IonicContact OE1-NH2 3.27Å; E70-R73 PolarHBondContact OE1-NH2 2.95Å; E70-R73 IonicContact OE2-CZ 3.38Å; E70-R73 IonicContact OE2-NE 3.25Å; E70-R73 PolarHBondContact OE2-NE 3Å; E70-R73 IonicContact OE2-NH2 3.01Å; E70-R73 PolarHBondContact OE2-NH2 3.22Å; N71-R73 VanDerWaalsContact C-N 3.28Å; N71-R73 PolarHBondContact O-N 3.13Å; R73-F76 PolarHBondContact O-N 3.32Å; R73-K77 WeakPolarHBondContact O-CB 3.36Å; R73-K77 PolarHBondContact O-N 3.02Å; R73-F638 HydrophobicContact CB-CD1 4.2Å; R73-F638 HydrophobicContact CB-CE1 3.81Å; R73-F638 HydrophobicContact CB-CE2 4.17Å; R73-F638 HydrophobicContact CB-CZ 3.78Å; R73-F638 HydrophobicContact CG-CD1 3.89Å; R73-F638 HydrophobicContact CG-CE1 4Å; R73-F638 HydrophobicContact CG-CG 4.17Å; R73-F638 HydrophobicContact CG-CZ 4.37Å
74	K	90.7	Very high	90.1	Very high	63 Å²	63	41.4 Å²	41.4	27%	0.274	21%	0.21	S	C	.	.	H	α-helix	trans	-58.9	-47.2	177	-72.7	-178.2	179.9	-167.4	0	111.7	D49 E70 N71 K77 E78	D49-K74 PolarHBondContact O-NZ 2.88Å; E70-K74 WeakPolarHBondContact O-CG 3.49Å; E70-K74 PolarHBondContact O-N 3.23Å; E70-K74 WeakPolarHBondContact OE1-CE 3.31Å; N71-K74 PolarHBondContact O-N 3.47Å; K74-K77 PolarHBondContact O-N 2.84Å; K74-E78 PolarHBondContact O-N 3.06Å
75	R	92.4	Very high	90.3	Very high	7 Å²	7	39.3 Å²	39.3	3%	0.026	20%	0.195	C	C	.	.	H	α-helix	trans	-65.2	-45.5	179.4	-68.6	179.6	68.8	65.5	5.7	112.3	V51 V53 N71 L72 K77 E78 N79 L80 Y82 T83	V51-R75 WeakPolarHBondContact O-CA 3.36Å; V51-R75 WeakPolarHBondContact O-CG 3.44Å; V51-R75 PolarHBondContact O-N 3.35Å; V53-R75 VanDerWaalsContact O-CD 3.29Å; V53-R75 WeakPolarHBondContact O-CD 3.45Å; N71-R75 VanDerWaalsContact O-CG 3.3Å; N71-R75 WeakPolarHBondContact O-CG 3.39Å; N71-R75 PolarHBondContact O-N 2.89Å; N71-R75 VanDerWaalsContact O-N 3.14Å; L72-R75 PolarHBondContact O-N 3.28Å; R75-K77 VanDerWaalsContact C-N 3.3Å; R75-K77 PolarHBondContact O-N 3.44Å; R75-E78 CarbonylContact O-C 3.56Å; R75-E78 PolarHBondContact O-N 3.35Å; R75-E78 VanDerWaalsContact O-N 3.13Å; R75-N79 PolarHBondContact O-N 3.02Å; R75-L80 CarbonylContact C-O 3.38Å; R75-L80 HydrophobicContact CB-CB 4.18Å; R75-L80 WeakPolarHBondContact O-CB 3.32Å; R75-L80 PolarHBondContact O-N 2.68Å; R75-Y82 PolarHBondContact NH2-O 3.28Å; R75-T83 WeakPolarHBondContact CD-OG1 3.37Å; R75-T83 PolarHBondContact NE-OG1 3.23Å
76	F	92.1	Very high	90.1	Very high	11 Å²	11	36.5 Å²	36.5	5%	0.048	18%	0.184	C	C	.	.	H	α-helix	trans	-61.9	-38.1	179.7	-174.5	-105.8	0	0	0	112	L72 R73 E78 N79 I81 V92 P629 F638	L72-F76 WeakPolarHBondContact O-CB 3.35Å; L72-F76 PolarHBondContact O-N 3.31Å; R73-F76 PolarHBondContact O-N 3.32Å; F76-E78 PolarHBondContact O-N 3.36Å; F76-N79 PolarHBondContact O-N 2.96Å; F76-I81 HydrophobicContact CD2-CG2 4.49Å; F76-V92 HydrophobicContact CD2-CB 4.05Å; F76-V92 HydrophobicContact CD2-CG1 3.59Å; F76-V92 HydrophobicContact CE2-CB 4.4Å; F76-V92 HydrophobicContact CE2-CG1 3.7Å; F76-V92 HydrophobicContact CG-CG1 4.41Å; F76-P629 HydrophobicContact CE1-CB 4.28Å; F76-P629 HydrophobicContact CE2-CB 4.29Å; F76-P629 HydrophobicContact CE2-CG 4.44Å; F76-P629 HydrophobicContact CZ-CB 3.87Å; F76-P629 HydrophobicContact CZ-CG 4.02Å; F76-F638 HydrophobicContact CB-CD2 4.12Å; F76-F638 HydrophobicContact CB-CE2 4.34Å; F76-F638 HydrophobicContact CD1-CB 4.19Å; F76-F638 AromaticContact CD1-CD2 3.76Å; F76-F638 HydrophobicContact CD1-CD2 3.76Å; F76-F638 HydrophobicContact CD1-CG 4.48Å; F76-F638 HydrophobicContact CE1-CB 4.4Å; F76-F638 HydrophobicContact CE1-CD2 4.43Å; F76-F638 HydrophobicContact CG-CD2 4.06Å
77	K	90.7	Very high	89.7	Confident	160 Å²	160	35.6 Å²	35.6	70%	0.696	17%	0.174	S	C	*	.	H	α-helix	trans	-59.8	-34.1	176	-170.7	177.9	179	-178.6	0	112.7	R73 K74 R75 N79	R73-K77 WeakPolarHBondContact O-CB 3.36Å; R73-K77 PolarHBondContact O-N 3.02Å; K74-K77 PolarHBondContact O-N 2.84Å; R75-K77 VanDerWaalsContact C-N 3.3Å; R75-K77 PolarHBondContact O-N 3.44Å; K77-N79 VanDerWaalsContact C-N 3.29Å
78	E	89.4	Confident	89.8	Confident	78 Å²	78	34.1 Å²	34.1	36%	0.364	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	15.4	177.9	-61.6	-68.5	163.9	0	0	112.7	R50 V51 K74 R75 F76 L80	R50-E78 IonicContact NE-OE1 3.92Å; V51-E78 HydrophobicContact CG1-CB 4.47Å; V51-E78 HydrophobicContact CG2-CG 4.25Å; K74-E78 PolarHBondContact O-N 3.06Å; R75-E78 CarbonylContact O-C 3.56Å; R75-E78 PolarHBondContact O-N 3.35Å; R75-E78 VanDerWaalsContact O-N 3.13Å; F76-E78 PolarHBondContact O-N 3.36Å; E78-L80 PolarHBondContact O-N 2.95Å
79	N	90.2	Very high	89.9	Confident	71 Å²	71	34.1 Å²	34.1	38%	0.38	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	21.4	-177.2	-51.8	-60.4	0	0	0	115	R75 F76 K77 I81 K96 L98	R75-N79 PolarHBondContact O-N 3.02Å; F76-N79 PolarHBondContact O-N 2.96Å; K77-N79 VanDerWaalsContact C-N 3.29Å; N79-I81 PolarHBondContact O-N 3.32Å; N79-K96 WeakPolarHBondContact OD1-CE 3.43Å; N79-K96 PolarHBondContact OD1-NZ 3.43Å; N79-L98 HydrophobicContact CB-CD2 4.1Å
80	L	91.4	Very high	90.1	Very high	71 Å²	71	34 Å²	34	37%	0.372	16%	0.161	S	C	.	.			trans	-91.7	92.3	172.9	-60.4	179.3	0	0	0	109.7	V51 R75 E78	V51-L80 HydrophobicContact CG1-CD1 3.28Å; R75-L80 CarbonylContact C-O 3.38Å; R75-L80 HydrophobicContact CB-CB 4.18Å; R75-L80 WeakPolarHBondContact O-CB 3.32Å; R75-L80 PolarHBondContact O-N 2.68Å; E78-L80 PolarHBondContact O-N 2.95Å
81	I	94	Very high	90.4	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.021	15%	0.151	C	C	.	.			trans	-80.4	-16.4	-174.1	60.4	166.8	0	0	0	114.8	F76 N79 S91 V92 P94 L98 I100	F76-I81 HydrophobicContact CD2-CG2 4.49Å; N79-I81 PolarHBondContact O-N 3.32Å; I81-S91 WeakPolarHBondContact O-CA 3.39Å; I81-V92 VanDerWaalsContact CB-O 3.26Å; I81-V92 WeakPolarHBondContact CB-O 3.47Å; I81-V92 WeakPolarHBondContact CG2-O 3.14Å; I81-V92 PolarHBondContact O-N 2.99Å; I81-P94 HydrophobicContact CD1-CG 4.29Å; I81-P94 HydrophobicContact CG2-CB 3.86Å; I81-P94 HydrophobicContact CG2-CG 4.16Å; I81-L98 HydrophobicContact CD1-CD1 4.2Å; I81-L98 HydrophobicContact CG1-CD1 4.32Å; I81-L98 HydrophobicContact CG2-CD1 3.82Å; I81-I100 HydrophobicContact CD1-CD1 3.82Å; I81-I100 HydrophobicContact CG1-CD1 4.1Å
82	Y	94.9	Very high	90.6	Very high	9 Å²	9	31.1 Å²	31.1	4%	0.035	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	135.7	-173.9	-71.2	-53.9	0	0	0	111.6	R75 L89 V90 S91 I100 Y101 P119 H120 I121	R75-Y82 PolarHBondContact NH2-O 3.28Å; Y82-L89 HydrophobicContact CD1-CD1 3.93Å; Y82-L89 HydrophobicContact CD1-CD2 3.89Å; Y82-L89 HydrophobicContact CD1-CG 4.05Å; Y82-L89 HydrophobicContact CE1-CD2 4.1Å; Y82-L89 HydrophobicContact CG-CD1 4.25Å; Y82-V90 WeakPolarHBondContact CA-O 3.48Å; Y82-S91 WeakPolarHBondContact CE1-OG 3.31Å; Y82-I100 HydrophobicContact CD2-CD1 4.47Å; Y82-I100 HydrophobicContact CE2-CD1 3.97Å; Y82-Y101 HydrophobicContact CE2-CE1 4.35Å; Y82-Y101 PolarHBondContact OH-OH 3.37Å; Y82-P119 WeakPolarHBondContact CB-O 3.28Å; Y82-H120 HydrophobicContact CD2-CB 4.41Å; Y82-H120 AromaticContact CD2-CD2 3.53Å; Y82-H120 AromaticContact CE2-CD2 3.5Å; Y82-H120 AromaticContact CE2-NE2 3.61Å; Y82-I121 HydrophobicContact CE1-CB 4.15Å; Y82-I121 HydrophobicContact CE2-CG2 4.46Å; Y82-I121 WeakPolarHBondContact OH-CG2 3.18Å
83	T	92.8	Very high	90.6	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	141	176.7	-45.3	0	0	0	0	109.7	Q54 F56 R75 V90	Q54-T83 WeakPolarHBondContact O-CG2 3.38Å; F56-T83 HydrophobicContact CD2-CG2 3.68Å; F56-T83 HydrophobicContact CE2-CG2 3.36Å; F56-T83 HydrophobicContact CG-CG2 4.44Å; F56-T83 HydrophobicContact CZ-CG2 3.87Å; R75-T83 WeakPolarHBondContact CD-OG1 3.37Å; R75-T83 PolarHBondContact NE-OG1 3.23Å; T83-V90 PolarHBondContact N-O 3.5Å; T83-V90 WeakPolarHBondContact O-CA 3.08Å; T83-V90 WeakPolarHBondContact O-CB 3.12Å; T83-V90 PolarHBondContact O-N 3.02Å
84	Y	88.4	Confident	90.6	Very high	6 Å²	6	28.3 Å²	28.3	2%	0.024	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	153.9	178.9	-64.8	-44.3	0	0	0	113	Q54 D55 F56 V88 L89 F114 P119 A123	Q54-Y84 PolarHBondContact O-N 3.24Å; D55-Y84 CarbonylContact C-O 3.57Å; D55-Y84 WeakPolarHBondContact CA-O 3.48Å; F56-Y84 WeakPolarHBondContact CD2-O 3.45Å; F56-Y84 PolarHBondContact N-O 3.28Å; Y84-V88 CarbonylContact C-O 3.49Å; Y84-V88 WeakPolarHBondContact CA-O 3.26Å; Y84-L89 HydrophobicContact CD1-CB 4.48Å; Y84-L89 HydrophobicContact CD1-CD1 3.73Å; Y84-L89 HydrophobicContact CE1-CD1 3.68Å; Y84-F114 AromaticContact CD1-CE1 3.7Å; Y84-F114 HydrophobicContact CD1-CE1 3.7Å; Y84-F114 HydrophobicContact CD1-CE2 4.47Å; Y84-F114 AromaticContact CD1-CZ 3.45Å; Y84-F114 HydrophobicContact CD1-CZ 3.45Å; Y84-F114 VanDerWaalsContact CD1-CZ 3.45Å; Y84-F114 AromaticContact CD2-CE1 3.88Å; Y84-F114 HydrophobicContact CD2-CE1 3.88Å; Y84-F114 HydrophobicContact CD2-CZ 4.43Å; Y84-F114 AromaticContact CE1-CE1 3.56Å; Y84-F114 HydrophobicContact CE1-CE1 3.56Å; Y84-F114 AromaticContact CE1-CE2 3.74Å; Y84-F114 HydrophobicContact CE1-CE2 3.74Å; Y84-F114 AromaticContact CE1-CZ 3.11Å; Y84-F114 HydrophobicContact CE1-CZ 3.11Å; Y84-F114 HydrophobicContact CE2-CD1 4.16Å; Y84-F114 AromaticContact CE2-CE1 3.72Å; Y84-F114 HydrophobicContact CE2-CE1 3.72Å; Y84-F114 HydrophobicContact CE2-CZ 4.15Å; Y84-F114 AromaticContact CG-CE1 3.86Å; Y84-F114 HydrophobicContact CG-CE1 3.86Å; Y84-F114 HydrophobicContact CG-CZ 4.11Å; Y84-F114 AromaticContact CZ-CE1 3.53Å; Y84-F114 AromaticContact CZ-CE2 3.95Å; Y84-F114 AromaticContact CZ-CZ 3.48Å; Y84-F114 VanDerWaalsContact CZ-CZ 3.48Å; Y84-P119 HydrophobicContact CD1-CB 4.08Å; Y84-P119 HydrophobicContact CD2-CB 3.94Å; Y84-P119 HydrophobicContact CD2-CG 3.64Å; Y84-P119 HydrophobicContact CE1-CB 3.98Å; Y84-P119 HydrophobicContact CE2-CB 3.85Å; Y84-P119 HydrophobicContact CE2-CG 3.78Å; Y84-P119 HydrophobicContact CG-CB 4.06Å; Y84-P119 HydrophobicContact CG-CG 4.1Å; Y84-A123 WeakPolarHBondContact OH-CB 3.31Å
85	I	86.6	Confident	90.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	86.9	157	-51.3	169.9	0	0	0	105.6	F56 V57 F68 S87 V88 V90 L652 N655 L656	F56-I85 HydrophobicContact CB-CG1 3.92Å; F56-I85 HydrophobicContact CD2-CD1 4.25Å; F56-I85 HydrophobicContact CD2-CG1 3.49Å; F56-I85 VanDerWaalsContact CD2-CG1 3.49Å; F56-I85 HydrophobicContact CE2-CG1 4.43Å; F56-I85 HydrophobicContact CG-CG1 4.08Å; V57-I85 HydrophobicContact CG2-CG2 4.5Å; F68-I85 HydrophobicContact CE2-CD1 4.29Å; F68-I85 HydrophobicContact CZ-CD1 4.07Å; I85-S87 PolarHBondContact O-N 3.03Å; I85-S87 VanDerWaalsContact O-N 3.09Å; I85-V88 HydrophobicContact CB-CB 4.31Å; I85-V88 PolarHBondContact N-O 3.49Å; I85-V88 PolarHBondContact O-N 3.48Å; I85-V90 HydrophobicContact CD1-CG2 3.68Å; I85-V90 HydrophobicContact CG1-CG2 3.93Å; I85-L652 HydrophobicContact CD1-CB 4.01Å; I85-L652 HydrophobicContact CD1-CD2 3.91Å; I85-L652 HydrophobicContact CD1-CG 4.42Å; I85-N655 VanDerWaalsContact CG2-OD1 3.32Å; I85-N655 WeakPolarHBondContact CG2-OD1 3.47Å; I85-L656 HydrophobicContact CG2-CB 4.19Å; I85-L656 HydrophobicContact CG2-CD1 4.33Å
86	G	79.5	Confident	90.4	Very high	8 Å²	8	31.3 Å²	31.3	8%	0.082	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	-113.7	-169.5	0	0	0	0	0	111	D55 F114	D55-G86 PolarHBondContact OD1-N 3.02Å; D55-G86 PolarHBondContact OD2-N 3.29Å; G86-F114 VanDerWaalsContact O-CE1 3.28Å; G86-F114 WeakPolarHBondContact O-CE1 3.46Å
87	S	77.9	Confident	90.2	Very high	41 Å²	41	38.8 Å²	38.8	29%	0.287	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-7.1	176.1	59.4	0	0	0	0	114.6	I85 R659	I85-S87 PolarHBondContact O-N 3.03Å; I85-S87 VanDerWaalsContact O-N 3.09Å; S87-R659 PolarHBondContact OG-NH2 3.32Å
88	V	88.4	Confident	90.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	137	178.6	179.9	0	0	0	0	109.9	Y84 I85 F450 Y623 R625 N655	Y84-V88 CarbonylContact C-O 3.49Å; Y84-V88 WeakPolarHBondContact CA-O 3.26Å; I85-V88 HydrophobicContact CB-CB 4.31Å; I85-V88 PolarHBondContact N-O 3.49Å; I85-V88 PolarHBondContact O-N 3.48Å; V88-F450 HydrophobicContact CG2-CE2 4.37Å; V88-Y623 HydrophobicContact CG2-CD2 4.07Å; V88-Y623 HydrophobicContact CG2-CG 4.38Å; V88-R625 HydrophobicContact CG1-CG 3.68Å; V88-N655 WeakPolarHBondContact CG2-ND2 3.39Å
89	L	92.9	Very high	90.1	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	122.2	177.1	179.4	68.5	0	0	0	111.1	Y82 Y84 P119 I121 V124 Y623 V624 R625	Y82-L89 HydrophobicContact CD1-CD1 3.93Å; Y82-L89 HydrophobicContact CD1-CD2 3.89Å; Y82-L89 HydrophobicContact CD1-CG 4.05Å; Y82-L89 HydrophobicContact CE1-CD2 4.1Å; Y82-L89 HydrophobicContact CG-CD1 4.25Å; Y84-L89 HydrophobicContact CD1-CB 4.48Å; Y84-L89 HydrophobicContact CD1-CD1 3.73Å; Y84-L89 HydrophobicContact CE1-CD1 3.68Å; L89-P119 HydrophobicContact CD1-CB 4.38Å; L89-I121 VanDerWaalsContact CD2-CA 3.45Å; L89-I121 HydrophobicContact CD2-CB 3.97Å; L89-I121 HydrophobicContact CD2-CG1 4.28Å; L89-V124 HydrophobicContact CB-CG2 3.75Å; L89-V124 HydrophobicContact CD2-CG2 3.85Å; L89-V124 HydrophobicContact CG-CG2 4.37Å; L89-Y623 PolarHBondContact N-O 3.37Å; L89-V624 HydrophobicContact CB-CG2 4.47Å; L89-V624 HydrophobicContact CD2-CG1 4.45Å; L89-V624 CarbonylContact O-C 3.6Å; L89-V624 WeakPolarHBondContact O-CA 3.16Å; L89-R625 PolarHBondContact O-N 2.91Å
90	V	94.9	Very high	90	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	130.8	169.1	-176.4	0	0	0	0	109.1	F56 L72 Y82 T83 I85 R625 I627 L652	F56-V90 HydrophobicContact CE2-CG2 4.24Å; L72-V90 HydrophobicContact CD2-CG1 4.19Å; Y82-V90 WeakPolarHBondContact CA-O 3.48Å; T83-V90 PolarHBondContact N-O 3.5Å; T83-V90 WeakPolarHBondContact O-CA 3.08Å; T83-V90 WeakPolarHBondContact O-CB 3.12Å; T83-V90 PolarHBondContact O-N 3.02Å; I85-V90 HydrophobicContact CD1-CG2 3.68Å; I85-V90 HydrophobicContact CG1-CG2 3.93Å; V90-R625 CarbonylContact C-O 3.55Å; V90-R625 WeakPolarHBondContact CA-O 3.46Å; V90-I627 HydrophobicContact CG1-CD1 3.52Å; V90-I627 HydrophobicContact CG1-CG1 4.16Å; V90-L652 HydrophobicContact CG1-CD1 4.45Å; V90-L652 HydrophobicContact CG2-CD1 4.27Å; V90-L652 HydrophobicContact CG2-CD2 4.37Å
91	S	95.6	Very high	90	Very high	10 Å²	10	35 Å²	35	7%	0.07	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	112.5	-177.3	177.3	0	0	0	0	110.6	I81 Y82 R625 C626 I627	I81-S91 WeakPolarHBondContact O-CA 3.39Å; Y82-S91 WeakPolarHBondContact CE1-OG 3.31Å; S91-R625 PolarHBondContact N-O 2.93Å; S91-C626 CarbonylContact O-C 3.57Å; S91-C626 VanDerWaalsContact O-CA 3.28Å; S91-C626 WeakPolarHBondContact O-CA 3.37Å; S91-I627 PolarHBondContact O-N 2.95Å
92	V	95.1	Very high	89.8	Confident	3 Å²	3	37.6 Å²	37.6	2%	0.018	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	123.8	177	-172.5	0	0	0	0	110	L72 F76 I81 P94 I627 P629	L72-V92 HydrophobicContact CD2-CG2 4.08Å; F76-V92 HydrophobicContact CD2-CB 4.05Å; F76-V92 HydrophobicContact CD2-CG1 3.59Å; F76-V92 HydrophobicContact CE2-CB 4.4Å; F76-V92 HydrophobicContact CE2-CG1 3.7Å; F76-V92 HydrophobicContact CG-CG1 4.41Å; I81-V92 VanDerWaalsContact CB-O 3.26Å; I81-V92 WeakPolarHBondContact CB-O 3.47Å; I81-V92 WeakPolarHBondContact CG2-O 3.14Å; I81-V92 PolarHBondContact O-N 2.99Å; V92-P94 WeakPolarHBondContact O-CD 3.29Å; V92-I627 WeakPolarHBondContact CA-O 3.5Å; V92-I627 HydrophobicContact CG2-CB 4.31Å; V92-P629 HydrophobicContact CG1-CB 3.96Å
93	N	92.9	Very high	89.5	Confident	32 Å²	32	44.2 Å²	44.2	17%	0.171	22%	0.221	C	C	.	.			trans	-62.6	121	-177.5	-174.8	-9.4	0	0	0	111.6	Y95 G148 I627 P629	N93-Y95 WeakPolarHBondContact ND2-CE1 3.25Å; N93-Y95 PolarHBondContact OD1-N 3.39Å; N93-G148 PolarHBondContact ND2-O 3.24Å; N93-I627 PolarHBondContact N-O 3.08Å; N93-P629 VanDerWaalsContact O-CD 3.28Å; N93-P629 WeakPolarHBondContact O-CD 3.4Å; N93-P629 WeakPolarHBondContact O-CG 3.49Å
94	P	92	Very high	89.2	Confident	19 Å²	19	50 Å²	50	12%	0.123	25%	0.252	C	S	.	.			trans	-76.2	-18	-179.5	27.5	-32.6	0	0	0	115.2	I81 V92 K96 L98	I81-P94 HydrophobicContact CD1-CG 4.29Å; I81-P94 HydrophobicContact CG2-CB 3.86Å; I81-P94 HydrophobicContact CG2-CG 4.16Å; V92-P94 WeakPolarHBondContact O-CD 3.29Å; P94-K96 HydrophobicContact CB-CG 4.14Å; P94-K96 WeakPolarHBondContact CG-O 3.36Å; P94-K96 PolarHBondContact O-N 2.8Å; P94-K96 VanDerWaalsContact O-N 3.1Å; P94-L98 HydrophobicContact CB-CD1 3.95Å; P94-L98 HydrophobicContact CB-CG 4.27Å; P94-L98 HydrophobicContact CG-CD1 4.05Å; P94-L98 HydrophobicContact CG-CG 4.34Å
95	Y	89.4	Confident	89.2	Confident	55 Å²	55	52.2 Å²	52.2	22%	0.216	26%	0.262	C	S	.	.	S	Bend	trans	52	22.5	-168	-68	-61.9	0	0	0	114.9	N93 K628 P629 N630 K633	N93-Y95 WeakPolarHBondContact ND2-CE1 3.25Å; N93-Y95 PolarHBondContact OD1-N 3.39Å; Y95-K628 VanDerWaalsContact OH-CE 3.26Å; Y95-K628 WeakPolarHBondContact OH-CE 3.22Å; Y95-K628 WeakPolarHBondContact OH-CG 3.3Å; Y95-P629 HydrophobicContact CD2-CG 3.72Å; Y95-P629 HydrophobicContact CE2-CG 3.58Å; Y95-N630 PolarHBondContact OH-O 3.49Å; Y95-K633 HydrophobicContact CD1-CB 4.11Å; Y95-K633 HydrophobicContact CE1-CB 3.92Å; Y95-K633 HydrophobicContact CE1-CG 3.99Å
96	K	89.4	Confident	89.3	Confident	78 Å²	78	52.7 Å²	52.7	34%	0.339	26%	0.264	S	S	.	.	S	Bend	trans	-151.6	157	172.9	65.1	179	178.8	-169.1	0	109.9	N79 P94 L98 A635	N79-K96 WeakPolarHBondContact OD1-CE 3.43Å; N79-K96 PolarHBondContact OD1-NZ 3.43Å; P94-K96 HydrophobicContact CB-CG 4.14Å; P94-K96 WeakPolarHBondContact CG-O 3.36Å; P94-K96 PolarHBondContact O-N 2.8Å; P94-K96 VanDerWaalsContact O-N 3.1Å; K96-L98 HydrophobicContact CD-CD2 4.39Å; K96-L98 HydrophobicContact CG-CD2 4.21Å; K96-A635 HydrophobicContact CB-CB 4.12Å; K96-A635 HydrophobicContact CD-CB 4.23Å; K96-A635 HydrophobicContact CG-CB 4.35Å
97	D	86.9	Confident	89.7	Confident	169 Å²	169	58.8 Å²	58.8	90%	0.904	29%	0.291	S	S	*	.			trans	-71.9	133	173.5	-69.2	-44.6	0	0	0	110.9
98	L	88.7	Confident	90.1	Very high	30 Å²	30	64 Å²	64	16%	0.157	30%	0.304	C	S	.	.			trans	-116.9	138.3	174.9	-62.3	178.7	0	0	0	108.4	N79 I81 P94 K96 I100	N79-L98 HydrophobicContact CB-CD2 4.1Å; I81-L98 HydrophobicContact CD1-CD1 4.2Å; I81-L98 HydrophobicContact CG1-CD1 4.32Å; I81-L98 HydrophobicContact CG2-CD1 3.82Å; P94-L98 HydrophobicContact CB-CD1 3.95Å; P94-L98 HydrophobicContact CB-CG 4.27Å; P94-L98 HydrophobicContact CG-CD1 4.05Å; P94-L98 HydrophobicContact CG-CG 4.34Å; K96-L98 HydrophobicContact CD-CD2 4.39Å; K96-L98 HydrophobicContact CG-CD2 4.21Å; L98-I100 HydrophobicContact CB-CD1 4.05Å; L98-I100 HydrophobicContact CB-CG1 3.93Å; L98-I100 HydrophobicContact CB-CG2 4.24Å; L98-I100 HydrophobicContact CD1-CD1 4.08Å; L98-I100 PolarHBondContact O-N 3.07Å
99	E	89.6	Confident	90	Very high	171 Å²	171	64.2 Å²	64.2	80%	0.799	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	35.2	179.8	-61.7	-173.2	168.5	0	0	113.7	H105	E99-H105 PolarHBondContact O-CE1 3.4Å; E99-H105 VanDerWaalsContact O-CE1 3.28Å
100	I	89	Confident	89.7	Confident	38 Å²	38	71 Å²	71	20%	0.195	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-9.7	-176.8	64	179.4	0	0	0	113.2	I81 Y82 L98 H105 H120	I81-I100 HydrophobicContact CD1-CD1 3.82Å; I81-I100 HydrophobicContact CG1-CD1 4.1Å; Y82-I100 HydrophobicContact CD2-CD1 4.47Å; Y82-I100 HydrophobicContact CE2-CD1 3.97Å; L98-I100 HydrophobicContact CB-CD1 4.05Å; L98-I100 HydrophobicContact CB-CG1 3.93Å; L98-I100 HydrophobicContact CB-CG2 4.24Å; L98-I100 HydrophobicContact CD1-CD1 4.08Å; L98-I100 PolarHBondContact O-N 3.07Å; I100-H105 WeakPolarHBondContact O-CB 3.41Å; I100-H120 PolarHBondContact O-NE2 2.85Å
101	Y	90.9	Very high	88.8	Confident	61 Å²	61	73.6 Å²	73.6	24%	0.239	36%	0.357	C	S	.	.	S	Bend	trans	-104	25.5	-177.6	-54.6	-62.7	0	0	0	113.6	Y82 H120 I121 Y122 K157	Y82-Y101 HydrophobicContact CE2-CE1 4.35Å; Y82-Y101 PolarHBondContact OH-OH 3.37Å; Y101-H120 AromaticContact CE1-NE2 3.97Å; Y101-I121 HydrophobicContact CE1-CG2 4.22Å; Y101-Y122 WeakPolarHBondContact CA-OH 3.21Å; Y101-Y122 WeakPolarHBondContact CB-OH 3.28Å; Y101-Y122 HydrophobicContact CD1-CE2 4.41Å; Y101-Y122 AromaticContact CD1-CZ 3.91Å; Y101-Y122 WeakPolarHBondContact CD1-OH 3.42Å; Y101-K157 HydrophobicContact CD1-CD 4.03Å; Y101-K157 HydrophobicContact CD1-CG 3.98Å; Y101-K157 HydrophobicContact CD2-CD 4.39Å; Y101-K157 HydrophobicContact CE1-CB 4.45Å; Y101-K157 HydrophobicContact CE1-CD 4.34Å; Y101-K157 HydrophobicContact CE1-CG 3.85Å; Y101-K157 HydrophobicContact CG-CD 4.05Å; Y101-K157 HydrophobicContact CG-CG 4.46Å
102	T	89.8	Confident	87.7	Confident	59 Å²	59	75 Å²	75	36%	0.362	37%	0.366	S	S	.	.	S	Bend	trans	-79.5	159.6	-179.8	65.6	0	0	0	0	111.9	N104 H105 M106	T102-N104 VanDerWaalsContact C-N 3.25Å; T102-N104 PolarHBondContact O-N 3.49Å; T102-H105 WeakPolarHBondContact O-CB 3.4Å; T102-H105 PolarHBondContact O-N 2.79Å; T102-H105 PolarHBondContact OG1-ND1 3.26Å; T102-M106 PolarHBondContact O-N 2.92Å; T102-M106 VanDerWaalsContact O-N 3.08Å
103	K	87.8	Confident	86.2	Confident	147 Å²	147	78 Å²	78	64%	0.639	38%	0.381	S	S	*	.	H	α-helix	trans	-56.3	-39.1	176.8	-69.3	-174.5	178.9	-179.3	0	112.5	H105 M106 E107	K103-H105 VanDerWaalsContact C-N 3.28Å; K103-H105 PolarHBondContact O-N 3.16Å; K103-M106 WeakPolarHBondContact O-CB 3.47Å; K103-M106 PolarHBondContact O-N 3.16Å; K103-E107 PolarHBondContact O-N 3.33Å
104	N	87.5	Confident	84.9	Confident	123 Å²	123	77.1 Å²	77.1	66%	0.658	38%	0.376	S	S	*	.	H	α-helix	trans	-60.4	-37	175.7	-66.5	8.1	0	0	0	112.2	T102 R108	T102-N104 VanDerWaalsContact C-N 3.25Å; T102-N104 PolarHBondContact O-N 3.49Å; N104-R108 PolarHBondContact O-N 3.35Å; N104-R108 VanDerWaalsContact O-N 3.11Å
105	H	87.6	Confident	83.5	Confident	52 Å²	52	81.4 Å²	81.4	24%	0.241	39%	0.391	C	S	.	.	H	α-helix	trans	-67	-45.2	172.7	-76.7	88.3	0	0	0	110.7	E99 I100 T102 K103 E107 R108 Y109 Y122	E99-H105 PolarHBondContact O-CE1 3.4Å; E99-H105 VanDerWaalsContact O-CE1 3.28Å; I100-H105 WeakPolarHBondContact O-CB 3.41Å; T102-H105 WeakPolarHBondContact O-CB 3.4Å; T102-H105 PolarHBondContact O-N 2.79Å; T102-H105 PolarHBondContact OG1-ND1 3.26Å; K103-H105 VanDerWaalsContact C-N 3.28Å; K103-H105 PolarHBondContact O-N 3.16Å; H105-E107 VanDerWaalsContact C-N 3.26Å; H105-E107 PolarHBondContact O-N 3.04Å; H105-R108 WeakPolarHBondContact O-CB 3.32Å; H105-R108 PolarHBondContact O-N 3.04Å; H105-Y109 VanDerWaalsContact O-CD2 3.25Å; H105-Y109 WeakPolarHBondContact O-CD2 3.44Å; H105-Y109 PolarHBondContact O-N 2.91Å; H105-Y109 VanDerWaalsContact O-N 3.14Å; H105-Y122 HydrophobicContact CB-CE2 4.48Å
106	M	90.3	Very high	82.2	Confident	10 Å²	10	83.6 Å²	83.6	5%	0.049	40%	0.403	C	S	.	.	H	α-helix	trans	-54.7	-42.5	177.6	-61.7	178.4	175.7	0	0	112.3	T102 K103 Y109 R110 Y122 Q160 Y161 V164 T165	T102-M106 PolarHBondContact O-N 2.92Å; T102-M106 VanDerWaalsContact O-N 3.08Å; K103-M106 WeakPolarHBondContact O-CB 3.47Å; K103-M106 PolarHBondContact O-N 3.16Å; M106-Y109 PolarHBondContact O-N 3.27Å; M106-R110 PolarHBondContact O-N 3.41Å; M106-Y122 HydrophobicContact CB-CE2 4.5Å; M106-Y122 HydrophobicContact CE-CE1 4.4Å; M106-Y122 HydrophobicContact CE-CE2 4.43Å; M106-Y122 WeakPolarHBondContact CE-OH 3.4Å; M106-Y122 HydrophobicContact CG-CD2 4.09Å; M106-Y122 HydrophobicContact CG-CE2 3.56Å; M106-Q160 HydrophobicContact CE-CB 4.48Å; M106-Y161 HydrophobicContact CB-CD2 4.12Å; M106-Y161 HydrophobicContact CB-CE2 4.1Å; M106-Y161 HydrophobicContact CG-CD2 4.05Å; M106-Y161 HydrophobicContact CG-CE2 4.5Å; M106-V164 HydrophobicContact SD-CB 3.84Å; M106-V164 HydrophobicContact SD-CG1 3.87Å; M106-V164 HydrophobicContact SD-CG2 4.11Å; M106-T165 HydrophobicContact CB-CG2 4.16Å
107	E	87.1	Confident	81.4	Confident	137 Å²	137	80.6 Å²	80.6	64%	0.64	39%	0.391	S	S	*	.	H	α-helix	trans	-65.4	-41	175.8	-71.7	179.5	-179.5	0	0	112.8	K103 H105 Y109 R110	K103-E107 PolarHBondContact O-N 3.33Å; H105-E107 VanDerWaalsContact C-N 3.26Å; H105-E107 PolarHBondContact O-N 3.04Å; E107-Y109 PolarHBondContact O-N 3.12Å; E107-R110 WeakPolarHBondContact O-CB 3.32Å; E107-R110 PolarHBondContact O-N 2.96Å; E107-R110 VanDerWaalsContact O-N 3.14Å
108	R	86	Confident	81.3	Confident	149 Å²	149	74.5 Å²	74.5	56%	0.562	36%	0.362	S	S	*	.	H	α-helix	trans	-58.7	-34.5	176.3	-179.2	-179.9	179.2	-177.7	0.3	112.9	N104 H105 V112	N104-R108 PolarHBondContact O-N 3.35Å; N104-R108 VanDerWaalsContact O-N 3.11Å; H105-R108 WeakPolarHBondContact O-CB 3.32Å; H105-R108 PolarHBondContact O-N 3.04Å; R108-V112 WeakPolarHBondContact O-CG2 3.34Å
109	Y	87.6	Confident	81.3	Confident	6 Å²	6	73.5 Å²	73.5	2%	0.024	36%	0.357	C	S	.	.	H	α-helix	trans	-88.7	-10	-179.4	-78.3	-86.3	0	0	0	113.4	H105 M106 E107 G111 V117 S118 H120 Y122 A123	H105-Y109 VanDerWaalsContact O-CD2 3.25Å; H105-Y109 WeakPolarHBondContact O-CD2 3.44Å; H105-Y109 PolarHBondContact O-N 2.91Å; H105-Y109 VanDerWaalsContact O-N 3.14Å; M106-Y109 PolarHBondContact O-N 3.27Å; E107-Y109 PolarHBondContact O-N 3.12Å; Y109-G111 PolarHBondContact O-N 2.79Å; Y109-V117 HydrophobicContact CD1-CB 3.95Å; Y109-V117 HydrophobicContact CD1-CG1 4.35Å; Y109-V117 HydrophobicContact CD1-CG2 3.63Å; Y109-V117 HydrophobicContact CE1-CB 3.55Å; Y109-V117 HydrophobicContact CE1-CG1 4.31Å; Y109-V117 HydrophobicContact CE1-CG2 3.5Å; Y109-S118 VanDerWaalsContact CE1-O 3.25Å; Y109-S118 WeakPolarHBondContact CE1-O 3.43Å; Y109-S118 PolarHBondContact OH-O 3.3Å; Y109-S118 PolarHBondContact OH-OG 3.32Å; Y109-H120 HydrophobicContact CD1-CB 4.21Å; Y109-H120 HydrophobicContact CE1-CB 3.44Å; Y109-H120 VanDerWaalsContact CE1-CB 3.44Å; Y109-H120 HydrophobicContact CE2-CB 3.99Å; Y109-H120 AromaticContact CZ-CG 3.88Å; Y109-H120 WeakPolarHBondContact OH-CB 3.4Å; Y109-Y122 HydrophobicContact CD2-CD2 4.34Å; Y109-A123 HydrophobicContact CD1-CB 3.84Å; Y109-A123 HydrophobicContact CE1-CB 4.05Å
110	R	86.3	Confident	81.5	Confident	141 Å²	141	65.6 Å²	65.6	53%	0.532	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	122.9	-175.1	-171.7	-174.9	-170.5	-167.6	4.9	111.6	M106 E107 V112 Y161 T165	M106-R110 PolarHBondContact O-N 3.41Å; E107-R110 WeakPolarHBondContact O-CB 3.32Å; E107-R110 PolarHBondContact O-N 2.96Å; E107-R110 VanDerWaalsContact O-N 3.14Å; R110-V112 PolarHBondContact O-N 3.44Å; R110-Y161 WeakPolarHBondContact CA-OH 3.05Å; R110-T165 PolarHBondContact NE-O 3.04Å; R110-T165 PolarHBondContact NH2-O 2.96Å
111	G	75.2	Confident	81.7	Confident	55 Å²	55	63.8 Å²	63.8	57%	0.567	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	14.8	175.2	0	0	0	0	0	114.5	Y109 D126	Y109-G111 PolarHBondContact O-N 2.79Å; G111-D126 PolarHBondContact N-OD1 2.92Å; G111-D126 PolarHBondContact N-OD2 3.44Å
112	V	72.9	Confident	81.9	Confident	40 Å²	40	60.9 Å²	60.9	24%	0.242	30%	0.299	C	S	.	.			trans	-103.5	142.1	179.9	-173	0	0	0	0	109.4	R108 R110 E116 V117 R130	R108-V112 WeakPolarHBondContact O-CG2 3.34Å; R110-V112 PolarHBondContact O-N 3.44Å; V112-E116 HydrophobicContact CG1-CB 3.78Å; V112-V117 HydrophobicContact CB-CG1 4.11Å; V112-V117 HydrophobicContact CG1-CG1 3.6Å; V112-R130 PolarHBondContact O-NH2 3.28Å
113	N	63.7	Low	81.9	Confident	65 Å²	65	58.2 Å²	58.2	35%	0.348	28%	0.283	S	S	.	.			trans	-66.5	146.7	179.5	-70.9	-44.6	0	0	0	111.4	Y115 E116	N113-Y115 PolarHBondContact O-N 3.01Å; N113-E116 HydrophobicContact CB-CG 4.26Å; N113-E116 PolarHBondContact ND2-OE1 2.87Å; N113-E116 VanDerWaalsContact ND2-OE1 3.11Å; N113-E116 PolarHBondContact O-N 3.45Å
114	F	65.2	Low	82	Confident	14 Å²	14	51.3 Å²	51.3	6%	0.061	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-35.6	-175.2	-169.1	-93	0	0	0	114.9	Y84 G86 A123 V124 N127	Y84-F114 AromaticContact CD1-CE1 3.7Å; Y84-F114 HydrophobicContact CD1-CE1 3.7Å; Y84-F114 HydrophobicContact CD1-CE2 4.47Å; Y84-F114 AromaticContact CD1-CZ 3.45Å; Y84-F114 HydrophobicContact CD1-CZ 3.45Å; Y84-F114 VanDerWaalsContact CD1-CZ 3.45Å; Y84-F114 AromaticContact CD2-CE1 3.88Å; Y84-F114 HydrophobicContact CD2-CE1 3.88Å; Y84-F114 HydrophobicContact CD2-CZ 4.43Å; Y84-F114 AromaticContact CE1-CE1 3.56Å; Y84-F114 HydrophobicContact CE1-CE1 3.56Å; Y84-F114 AromaticContact CE1-CE2 3.74Å; Y84-F114 HydrophobicContact CE1-CE2 3.74Å; Y84-F114 AromaticContact CE1-CZ 3.11Å; Y84-F114 HydrophobicContact CE1-CZ 3.11Å; Y84-F114 HydrophobicContact CE2-CD1 4.16Å; Y84-F114 AromaticContact CE2-CE1 3.72Å; Y84-F114 HydrophobicContact CE2-CE1 3.72Å; Y84-F114 HydrophobicContact CE2-CZ 4.15Å; Y84-F114 AromaticContact CG-CE1 3.86Å; Y84-F114 HydrophobicContact CG-CE1 3.86Å; Y84-F114 HydrophobicContact CG-CZ 4.11Å; Y84-F114 AromaticContact CZ-CE1 3.53Å; Y84-F114 AromaticContact CZ-CE2 3.95Å; Y84-F114 AromaticContact CZ-CZ 3.48Å; Y84-F114 VanDerWaalsContact CZ-CZ 3.48Å; G86-F114 VanDerWaalsContact O-CE1 3.28Å; G86-F114 WeakPolarHBondContact O-CE1 3.46Å; F114-A123 HydrophobicContact CD2-CB 4.16Å; F114-A123 HydrophobicContact CE2-CB 4.39Å; F114-V124 HydrophobicContact CE2-CG2 3.84Å; F114-V124 HydrophobicContact CZ-CG2 4.42Å; F114-N127 HydrophobicContact CD2-CB 4.28Å
115	Y	62.8	Low	82.3	Confident	109 Å²	109	45.5 Å²	45.5	43%	0.427	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-3.7	-177	-58.7	-73.6	0	0	0	115	N113	N113-Y115 PolarHBondContact O-N 3.01Å
116	E	63.2	Low	82.4	Confident	101 Å²	101	43.2 Å²	43.2	47%	0.472	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-12.3	179.5	-73.3	165.9	-159.9	0	0	112.5	V112 N113 R667	V112-E116 HydrophobicContact CG1-CB 3.78Å; N113-E116 HydrophobicContact CB-CG 4.26Å; N113-E116 PolarHBondContact ND2-OE1 2.87Å; N113-E116 VanDerWaalsContact ND2-OE1 3.11Å; N113-E116 PolarHBondContact O-N 3.45Å; E116-R667 IonicContact OE1-CZ 3.87Å; E116-R667 IonicContact OE1-NH2 3.49Å; E116-R667 PolarHBondContact OE1-NH2 3.38Å
117	V	72	Confident	82.2	Confident	16 Å²	16	44.9 Å²	44.9	10%	0.097	22%	0.221	C	C	.	.	S	Bend	trans	-120.1	152.5	-178.1	-71.8	0	0	0	0	110.7	Y109 V112 A123	Y109-V117 HydrophobicContact CD1-CB 3.95Å; Y109-V117 HydrophobicContact CD1-CG1 4.35Å; Y109-V117 HydrophobicContact CD1-CG2 3.63Å; Y109-V117 HydrophobicContact CE1-CB 3.55Å; Y109-V117 HydrophobicContact CE1-CG1 4.31Å; Y109-V117 HydrophobicContact CE1-CG2 3.5Å; V112-V117 HydrophobicContact CB-CG1 4.11Å; V112-V117 HydrophobicContact CG1-CG1 3.6Å; V117-A123 HydrophobicContact CG2-CB 4.13Å
118	S	83.3	Confident	82.3	Confident	41 Å²	41	38.4 Å²	38.4	29%	0.287	19%	0.191	S	C	.	.			trans	-61.2	150.9	175.1	43.7	0	0	0	0	111.4	Y109 H120	Y109-S118 VanDerWaalsContact CE1-O 3.25Å; Y109-S118 WeakPolarHBondContact CE1-O 3.43Å; Y109-S118 PolarHBondContact OH-O 3.3Å; Y109-S118 PolarHBondContact OH-OG 3.32Å; S118-H120 PolarHBondContact O-N 2.79Å
119	P	89.8	Confident	82.5	Confident	8 Å²	8	32 Å²	32	5%	0.052	17%	0.166	C	C	.	.	S	Bend	trans	-51.5	125	-179.2	-24.5	30	0	0	0	113.5	Q54 Y82 Y84 L89	Q54-P119 HydrophobicContact CB-CG 3.76Å; Q54-P119 HydrophobicContact CG-CG 4.35Å; Q54-P119 VanDerWaalsContact O-CG 3.24Å; Q54-P119 WeakPolarHBondContact O-CG 3.45Å; Y82-P119 WeakPolarHBondContact CB-O 3.28Å; Y84-P119 HydrophobicContact CD1-CB 4.08Å; Y84-P119 HydrophobicContact CD2-CB 3.94Å; Y84-P119 HydrophobicContact CD2-CG 3.64Å; Y84-P119 HydrophobicContact CE1-CB 3.98Å; Y84-P119 HydrophobicContact CE2-CB 3.85Å; Y84-P119 HydrophobicContact CE2-CG 3.78Å; Y84-P119 HydrophobicContact CG-CB 4.06Å; Y84-P119 HydrophobicContact CG-CG 4.1Å; L89-P119 HydrophobicContact CD1-CB 4.38Å
120	H	93	Very high	82.4	Confident	6 Å²	6	33.7 Å²	33.7	3%	0.028	17%	0.173	C	C	.	.			trans	-160.2	153.5	178.9	-159.4	-96.6	0	0	0	112	Y82 I100 Y101 Y109 S118 Y122 A123	Y82-H120 HydrophobicContact CD2-CB 4.41Å; Y82-H120 AromaticContact CD2-CD2 3.53Å; Y82-H120 AromaticContact CE2-CD2 3.5Å; Y82-H120 AromaticContact CE2-NE2 3.61Å; I100-H120 PolarHBondContact O-NE2 2.85Å; Y101-H120 AromaticContact CE1-NE2 3.97Å; Y109-H120 HydrophobicContact CD1-CB 4.21Å; Y109-H120 HydrophobicContact CE1-CB 3.44Å; Y109-H120 VanDerWaalsContact CE1-CB 3.44Å; Y109-H120 HydrophobicContact CE2-CB 3.99Å; Y109-H120 AromaticContact CZ-CG 3.88Å; Y109-H120 WeakPolarHBondContact OH-CB 3.4Å; S118-H120 PolarHBondContact O-N 2.79Å; H120-Y122 VanDerWaalsContact C-N 3.26Å; H120-Y122 AromaticContact CE1-CD2 3.27Å; H120-Y122 WeakPolarHBondContact CE1-CD2 3.19Å; H120-Y122 AromaticContact CE1-CE2 3.5Å; H120-Y122 VanDerWaalsContact CE1-CE2 3.5Å; H120-Y122 WeakPolarHBondContact CE1-CE2 3.29Å; H120-Y122 AromaticContact CE1-CG 3.61Å; H120-Y122 WeakPolarHBondContact ND1-CB 3.47Å; H120-Y122 AromaticContact ND1-CD2 3.34Å; H120-Y122 VanDerWaalsContact ND1-CD2 3.34Å; H120-Y122 WeakPolarHBondContact ND1-CD2 3.27Å; H120-Y122 AromaticContact ND1-CG 3.34Å; H120-Y122 VanDerWaalsContact ND1-CG 3.34Å; H120-Y122 PolarHBondContact ND1-N 3.13Å; H120-Y122 VanDerWaalsContact ND1-N 3.18Å; H120-Y122 PolarHBondContact O-N 3.45Å; H120-A123 WeakPolarHBondContact O-CB 3.5Å; H120-A123 PolarHBondContact O-N 3.45Å; H120-A123 VanDerWaalsContact O-N 3.1Å
121	I	94.5	Very high	82.2	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61	-35.3	177.3	-163.2	166.3	0	0	0	112.8	Y82 L89 Y101 A123 V124 S125 A154 K157 I158	Y82-I121 HydrophobicContact CE1-CB 4.15Å; Y82-I121 HydrophobicContact CE2-CG2 4.46Å; Y82-I121 WeakPolarHBondContact OH-CG2 3.18Å; L89-I121 VanDerWaalsContact CD2-CA 3.45Å; L89-I121 HydrophobicContact CD2-CB 3.97Å; L89-I121 HydrophobicContact CD2-CG1 4.28Å; Y101-I121 HydrophobicContact CE1-CG2 4.22Å; I121-A123 VanDerWaalsContact C-N 3.26Å; I121-A123 PolarHBondContact O-N 2.89Å; I121-V124 WeakPolarHBondContact O-CB 3.49Å; I121-V124 PolarHBondContact O-N 3.2Å; I121-V124 VanDerWaalsContact O-N 3.15Å; I121-S125 PolarHBondContact O-N 2.86Å; I121-S125 PolarHBondContact O-OG 3.49Å; I121-S125 VanDerWaalsContact O-OG 3.1Å; I121-A154 HydrophobicContact CD1-CB 3.56Å; I121-A154 VanDerWaalsContact CD1-O 3.31Å; I121-A154 WeakPolarHBondContact CD1-O 3.25Å; I121-K157 HydrophobicContact CG2-CB 4.32Å; I121-I158 HydrophobicContact CD1-CD1 3.87Å; I121-I158 HydrophobicContact CD1-CG1 3.68Å; I121-I158 HydrophobicContact CG1-CD1 4.07Å; I121-I158 HydrophobicContact CG1-CG1 3.68Å
122	Y	94	Very high	82.8	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-64	-28.1	176.3	-61	-23.7	0	0	0	113.6	Y101 H105 M106 Y109 H120 S125 D126 K157 Y161	Y101-Y122 WeakPolarHBondContact CA-OH 3.21Å; Y101-Y122 WeakPolarHBondContact CB-OH 3.28Å; Y101-Y122 HydrophobicContact CD1-CE2 4.41Å; Y101-Y122 AromaticContact CD1-CZ 3.91Å; Y101-Y122 WeakPolarHBondContact CD1-OH 3.42Å; H105-Y122 HydrophobicContact CB-CE2 4.48Å; M106-Y122 HydrophobicContact CB-CE2 4.5Å; M106-Y122 HydrophobicContact CE-CE1 4.4Å; M106-Y122 HydrophobicContact CE-CE2 4.43Å; M106-Y122 WeakPolarHBondContact CE-OH 3.4Å; M106-Y122 HydrophobicContact CG-CD2 4.09Å; M106-Y122 HydrophobicContact CG-CE2 3.56Å; Y109-Y122 HydrophobicContact CD2-CD2 4.34Å; H120-Y122 VanDerWaalsContact C-N 3.26Å; H120-Y122 AromaticContact CE1-CD2 3.27Å; H120-Y122 WeakPolarHBondContact CE1-CD2 3.19Å; H120-Y122 AromaticContact CE1-CE2 3.5Å; H120-Y122 VanDerWaalsContact CE1-CE2 3.5Å; H120-Y122 WeakPolarHBondContact CE1-CE2 3.29Å; H120-Y122 AromaticContact CE1-CG 3.61Å; H120-Y122 WeakPolarHBondContact ND1-CB 3.47Å; H120-Y122 AromaticContact ND1-CD2 3.34Å; H120-Y122 VanDerWaalsContact ND1-CD2 3.34Å; H120-Y122 WeakPolarHBondContact ND1-CD2 3.27Å; H120-Y122 AromaticContact ND1-CG 3.34Å; H120-Y122 VanDerWaalsContact ND1-CG 3.34Å; H120-Y122 PolarHBondContact ND1-N 3.13Å; H120-Y122 VanDerWaalsContact ND1-N 3.18Å; H120-Y122 PolarHBondContact O-N 3.45Å; Y122-S125 PolarHBondContact O-N 2.86Å; Y122-D126 VanDerWaalsContact O-CB 3.28Å; Y122-D126 WeakPolarHBondContact O-CB 3.44Å; Y122-D126 PolarHBondContact O-N 3.36Å; Y122-K157 HydrophobicContact CE1-CB 4.38Å; Y122-Y161 AromaticContact CD1-CD2 3.37Å; Y122-Y161 HydrophobicContact CD1-CD2 3.37Å; Y122-Y161 HydrophobicContact CD1-CE2 4.23Å; Y122-Y161 AromaticContact CD1-CG 3.77Å; Y122-Y161 HydrophobicContact CD1-CG 3.77Å; Y122-Y161 HydrophobicContact CD2-CD2 4.07Å; Y122-Y161 HydrophobicContact CD2-CE2 4.39Å; Y122-Y161 AromaticContact CE1-CD2 3.94Å; Y122-Y161 HydrophobicContact CE1-CD2 3.94Å; Y122-Y161 HydrophobicContact CE1-CG 4.31Å; Y122-Y161 AromaticContact CG-CD2 3.45Å; Y122-Y161 HydrophobicContact CG-CD2 3.45Å; Y122-Y161 VanDerWaalsContact CG-CD2 3.45Å; Y122-Y161 AromaticContact CG-CE2 3.87Å; Y122-Y161 HydrophobicContact CG-CE2 3.87Å; Y122-Y161 HydrophobicContact CG-CG 4.26Å
123	A	89.6	Confident	83.2	Confident	3 Å²	3	29.9 Å²	29.9	3%	0.025	14%	0.139	C	C	.	.	H	α-helix	trans	-68.2	-39.4	174.5	0	0	0	0	0	111.5	Y84 Y109 F114 V117 H120 I121 N127	Y84-A123 WeakPolarHBondContact OH-CB 3.31Å; Y109-A123 HydrophobicContact CD1-CB 3.84Å; Y109-A123 HydrophobicContact CE1-CB 4.05Å; F114-A123 HydrophobicContact CD2-CB 4.16Å; F114-A123 HydrophobicContact CE2-CB 4.39Å; V117-A123 HydrophobicContact CG2-CB 4.13Å; H120-A123 WeakPolarHBondContact O-CB 3.5Å; H120-A123 PolarHBondContact O-N 3.45Å; H120-A123 VanDerWaalsContact O-N 3.1Å; I121-A123 VanDerWaalsContact C-N 3.26Å; I121-A123 PolarHBondContact O-N 2.89Å; A123-N127 VanDerWaalsContact O-CB 3.23Å; A123-N127 WeakPolarHBondContact O-CB 3.46Å; A123-N127 PolarHBondContact O-N 2.87Å
124	V	91.1	Very high	83.8	Confident	2 Å²	2	31.6 Å²	31.6	1%	0.012	15%	0.153	C	C	.	.	H	α-helix	trans	-64.7	-45.8	173.2	-179.6	0	0	0	0	109.8	L89 F114 I121 N127 A128 I141 V624	L89-V124 HydrophobicContact CB-CG2 3.75Å; L89-V124 HydrophobicContact CD2-CG2 3.85Å; L89-V124 HydrophobicContact CG-CG2 4.37Å; F114-V124 HydrophobicContact CE2-CG2 3.84Å; F114-V124 HydrophobicContact CZ-CG2 4.42Å; I121-V124 WeakPolarHBondContact O-CB 3.49Å; I121-V124 PolarHBondContact O-N 3.2Å; I121-V124 VanDerWaalsContact O-N 3.15Å; V124-N127 PolarHBondContact O-N 3.48Å; V124-A128 PolarHBondContact O-N 2.88Å; V124-I141 HydrophobicContact CG1-CD1 4.48Å; V124-I141 HydrophobicContact CG1-CG2 4.4Å; V124-V624 HydrophobicContact CG1-CG2 4.45Å
125	S	92.8	Very high	84.3	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.6	-49.3	179	-53.2	0	0	0	0	112.6	I121 Y122 A128 Y129 I158 Y162	I121-S125 PolarHBondContact O-N 2.86Å; I121-S125 PolarHBondContact O-OG 3.49Å; I121-S125 VanDerWaalsContact O-OG 3.1Å; Y122-S125 PolarHBondContact O-N 2.86Å; S125-A128 PolarHBondContact O-N 2.54Å; S125-Y129 WeakPolarHBondContact O-CB 3.42Å; S125-Y129 PolarHBondContact O-N 3.5Å; S125-I158 WeakPolarHBondContact OG-CG1 3.29Å; S125-Y162 WeakPolarHBondContact CA-OH 3.42Å; S125-Y162 VanDerWaalsContact O-CE1 3.25Å; S125-Y162 WeakPolarHBondContact O-CE1 3.46Å; S125-Y162 PolarHBondContact O-OH 2.97Å
126	D	90.2	Very high	84.9	Confident	5 Å²	5	38.9 Å²	38.9	3%	0.027	18%	0.183	C	C	.	.	H	α-helix	trans	-63.2	-40.9	178.2	-177.8	75.5	0	0	0	111.6	G111 Y122 Y129 R130 Y161	G111-D126 PolarHBondContact N-OD1 2.92Å; G111-D126 PolarHBondContact N-OD2 3.44Å; Y122-D126 VanDerWaalsContact O-CB 3.28Å; Y122-D126 WeakPolarHBondContact O-CB 3.44Å; Y122-D126 PolarHBondContact O-N 3.36Å; D126-Y129 PolarHBondContact O-N 3.46Å; D126-R130 WeakPolarHBondContact O-CB 3.04Å; D126-R130 WeakPolarHBondContact O-CG 3.4Å; D126-R130 PolarHBondContact O-N 2.86Å; D126-R130 IonicContact OD2-CZ 3.97Å; D126-R130 IonicContact OD2-NE 3.86Å; D126-R130 PolarHBondContact OD2-NE 3.28Å; D126-R130 IonicContact OD2-NH2 2.88Å; D126-R130 PolarHBondContact OD2-NH2 3.18Å; D126-R130 VanDerWaalsContact OD2-NH2 3.15Å; D126-Y161 HydrophobicContact CB-CE1 4.08Å; D126-Y161 WeakPolarHBondContact CB-OH 3.46Å; D126-Y161 PolarHBondContact OD1-OH 3.22Å
127	N	86.6	Confident	85.7	Confident	45 Å²	45	39.3 Å²	39.3	24%	0.241	18%	0.183	C	C	.	.	H	α-helix	trans	-62.7	-47.9	177.4	-166.9	66.4	0	0	0	111.7	F114 A123 V124 Y129 R130 S131	F114-N127 HydrophobicContact CD2-CB 4.28Å; A123-N127 VanDerWaalsContact O-CB 3.23Å; A123-N127 WeakPolarHBondContact O-CB 3.46Å; A123-N127 PolarHBondContact O-N 2.87Å; V124-N127 PolarHBondContact O-N 3.48Å; N127-Y129 VanDerWaalsContact C-N 3.35Å; N127-Y129 PolarHBondContact O-N 3.48Å; N127-R130 PolarHBondContact O-N 3.19Å; N127-R130 PolarHBondContact OD1-NH2 3.46Å; N127-S131 WeakPolarHBondContact O-CB 3.37Å; N127-S131 PolarHBondContact O-N 2.96Å; N127-S131 PolarHBondContact O-OG 2.91Å
128	A	89.8	Confident	86.6	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-58.9	-46	175.4	0	0	0	0	0	111.3	V124 S125 R130 S131 M132 Q139 I141	V124-A128 PolarHBondContact O-N 2.88Å; S125-A128 PolarHBondContact O-N 2.54Å; A128-R130 PolarHBondContact O-N 2.62Å; A128-S131 PolarHBondContact O-N 3.18Å; A128-M132 WeakPolarHBondContact O-CB 3.21Å; A128-M132 PolarHBondContact O-N 3.03Å; A128-Q139 HydrophobicContact CB-CB 4.33Å; A128-Q139 WeakPolarHBondContact O-CG 3.45Å; A128-I141 HydrophobicContact CB-CD1 4.1Å; A128-I141 HydrophobicContact CB-CG1 4.32Å
129	Y	89.4	Confident	87	Confident	14 Å²	14	39.2 Å²	39.2	6%	0.055	18%	0.179	C	C	.	.	H	α-helix	trans	-63.5	-40.4	178.4	176.2	-102	0	0	0	113.1	S125 D126 N127 M132 R133 C166 F211 G215 I418	S125-Y129 WeakPolarHBondContact O-CB 3.42Å; S125-Y129 PolarHBondContact O-N 3.5Å; D126-Y129 PolarHBondContact O-N 3.46Å; N127-Y129 VanDerWaalsContact C-N 3.35Å; N127-Y129 PolarHBondContact O-N 3.48Å; Y129-M132 HydrophobicContact CD2-CE 3.74Å; Y129-M132 HydrophobicContact CE2-CE 3.89Å; Y129-R133 WeakPolarHBondContact O-CB 3.37Å; Y129-R133 PolarHBondContact O-N 2.97Å; Y129-C166 VanDerWaalsContact CE2-SG 3.52Å; Y129-F211 HydrophobicContact CD2-CD1 4.47Å; Y129-F211 HydrophobicContact CD2-CE1 4.15Å; Y129-F211 HydrophobicContact CE2-CD1 4.08Å; Y129-F211 HydrophobicContact CE2-CE1 4.05Å; Y129-G215 WeakPolarHBondContact CE2-O 3.44Å; Y129-G215 PolarHBondContact OH-O 3.44Å; Y129-I418 HydrophobicContact CD2-CD1 4.37Å
130	R	84.4	Confident	87.1	Confident	42 Å²	42	38.9 Å²	38.9	16%	0.158	18%	0.177	C	C	.	.	H	α-helix	trans	-66	-48.9	175.5	-78.3	-167.3	-74.1	95.7	6.5	111.6	V112 D126 N127 A128 M132 R133 T134	V112-R130 PolarHBondContact O-NH2 3.28Å; D126-R130 WeakPolarHBondContact O-CB 3.04Å; D126-R130 WeakPolarHBondContact O-CG 3.4Å; D126-R130 PolarHBondContact O-N 2.86Å; D126-R130 IonicContact OD2-CZ 3.97Å; D126-R130 IonicContact OD2-NE 3.86Å; D126-R130 PolarHBondContact OD2-NE 3.28Å; D126-R130 IonicContact OD2-NH2 2.88Å; D126-R130 PolarHBondContact OD2-NH2 3.18Å; D126-R130 VanDerWaalsContact OD2-NH2 3.15Å; N127-R130 PolarHBondContact O-N 3.19Å; N127-R130 PolarHBondContact OD1-NH2 3.46Å; A128-R130 PolarHBondContact O-N 2.62Å; R130-M132 VanDerWaalsContact C-N 3.31Å; R130-M132 PolarHBondContact O-N 3.34Å; R130-R133 PolarHBondContact O-N 2.88Å; R130-T134 PolarHBondContact O-N 3.2Å; R130-T134 PolarHBondContact O-OG1 2.92Å
131	S	82	Confident	87.1	Confident	13 Å²	13	38.6 Å²	38.6	9%	0.091	18%	0.175	C	C	.	.	H	α-helix	trans	-56.2	-46.2	177.5	-69.8	0	0	0	0	111.2	N127 A128 R133 T134 E135	N127-S131 WeakPolarHBondContact O-CB 3.37Å; N127-S131 PolarHBondContact O-N 2.96Å; N127-S131 PolarHBondContact O-OG 2.91Å; A128-S131 PolarHBondContact O-N 3.18Å; S131-R133 VanDerWaalsContact C-N 3.34Å; S131-R133 PolarHBondContact O-N 3.4Å; S131-T134 PolarHBondContact O-N 3.45Å; S131-E135 WeakPolarHBondContact O-CA 3.4Å; S131-E135 VanDerWaalsContact O-CB 3.3Å; S131-E135 WeakPolarHBondContact O-CB 3.48Å; S131-E135 PolarHBondContact O-N 2.92Å
132	M	88.1	Confident	86.9	Confident	4 Å²	4	39.5 Å²	39.5	2%	0.02	18%	0.18	C	C	.	.	H	α-helix	trans	-55.3	-48.2	173.6	-176.3	-162.2	65.6	0	0	111.7	A128 Y129 R130 R136 K137 Q139 F211 I418	A128-M132 WeakPolarHBondContact O-CB 3.21Å; A128-M132 PolarHBondContact O-N 3.03Å; Y129-M132 HydrophobicContact CD2-CE 3.74Å; Y129-M132 HydrophobicContact CE2-CE 3.89Å; R130-M132 VanDerWaalsContact C-N 3.31Å; R130-M132 PolarHBondContact O-N 3.34Å; M132-R136 WeakPolarHBondContact O-CA 3.36Å; M132-R136 PolarHBondContact O-N 3.07Å; M132-K137 WeakPolarHBondContact CA-O 3.2Å; M132-Q139 HydrophobicContact CB-CG 3.79Å; M132-F211 HydrophobicContact CE-CB 3.71Å; M132-F211 HydrophobicContact CE-CD1 4.07Å; M132-F211 HydrophobicContact CE-CD2 3.82Å; M132-F211 HydrophobicContact CE-CE2 4.46Å; M132-F211 HydrophobicContact CE-CG 3.59Å; M132-F211 HydrophobicContact SD-CB 3.98Å; M132-F211 HydrophobicContact SD-CD2 3.51Å; M132-F211 VanDerWaalsContact SD-CD2 3.51Å; M132-F211 HydrophobicContact SD-CE2 4.2Å; M132-F211 HydrophobicContact SD-CG 3.86Å; M132-I418 HydrophobicContact CE-CD1 4.25Å; M132-I418 HydrophobicContact CG-CG1 4.44Å; M132-I418 HydrophobicContact SD-CD1 3.86Å; M132-I418 HydrophobicContact SD-CG1 3.5Å; M132-I418 VanDerWaalsContact SD-CG1 3.5Å
133	R	82	Confident	86.7	Confident	139 Å²	139	39.6 Å²	39.6	53%	0.525	18%	0.181	S	C	.	.	H	α-helix	trans	-71.7	-37.3	-176.8	-165.9	178.9	69.7	-177.2	0.2	113.5	Y129 R130 S131	Y129-R133 WeakPolarHBondContact O-CB 3.37Å; Y129-R133 PolarHBondContact O-N 2.97Å; R130-R133 PolarHBondContact O-N 2.88Å; S131-R133 VanDerWaalsContact C-N 3.34Å; S131-R133 PolarHBondContact O-N 3.4Å
134	T	76.1	Confident	86.6	Confident	102 Å²	102	40 Å²	40	63%	0.626	18%	0.184	S	C	*	.	H	α-helix	trans	-85.6	-41.1	-175.9	52.8	0	0	0	0	112.7	R130 S131	R130-T134 PolarHBondContact O-N 3.2Å; R130-T134 PolarHBondContact O-OG1 2.92Å; S131-T134 PolarHBondContact O-N 3.45Å
135	E	75.7	Confident	86.2	Confident	99 Å²	99	40 Å²	40	46%	0.463	18%	0.184	S	C	.	.	H	α-helix	trans	-95.5	-11.7	-176.5	-54.8	-165	-170.3	0	0	112.9	S131 K137	S131-E135 WeakPolarHBondContact O-CA 3.4Å; S131-E135 VanDerWaalsContact O-CB 3.3Å; S131-E135 WeakPolarHBondContact O-CB 3.48Å; S131-E135 PolarHBondContact O-N 2.92Å; E135-K137 HydrophobicContact CB-CB 4.44Å; E135-K137 HydrophobicContact CB-CD 4.29Å; E135-K137 HydrophobicContact CB-CG 4.17Å; E135-K137 PolarHBondContact O-N 3.08Å; E135-K137 IonicContact OE2-NZ 3.43Å; E135-K137 PolarHBondContact OE2-NZ 3.3Å; E135-K137 VanDerWaalsContact OE2-NZ 3.09Å
136	R	75.6	Confident	85.5	Confident	176 Å²	176	40.4 Å²	40.4	66%	0.664	19%	0.186	S	C	*	.			trans	53.2	32.6	-173.8	-58	-169.6	-175.2	179.4	6	113	M132	M132-R136 WeakPolarHBondContact O-CA 3.36Å; M132-R136 PolarHBondContact O-N 3.07Å
137	K	80.6	Confident	84.8	Confident	111 Å²	111	41.1 Å²	41.1	48%	0.483	19%	0.191	S	C	.	.			trans	-103	136.2	174.4	-70	-179.7	-175.4	161.2	0	109.9	M132 E135 Q139	M132-K137 WeakPolarHBondContact CA-O 3.2Å; E135-K137 HydrophobicContact CB-CB 4.44Å; E135-K137 HydrophobicContact CB-CD 4.29Å; E135-K137 HydrophobicContact CB-CG 4.17Å; E135-K137 PolarHBondContact O-N 3.08Å; E135-K137 IonicContact OE2-NZ 3.43Å; E135-K137 PolarHBondContact OE2-NZ 3.3Å; E135-K137 VanDerWaalsContact OE2-NZ 3.09Å; K137-Q139 PolarHBondContact O-NE2 3.41Å; K137-Q139 VanDerWaalsContact O-NE2 3.15Å
138	D	89.8	Confident	84.3	Confident	54 Å²	54	39.6 Å²	39.6	29%	0.289	19%	0.186	S	C	.	.			trans	-64.1	143	172.8	-68.1	-18.9	0	0	0	110.6	S416 V417 K619 E620	D138-S416 WeakPolarHBondContact OD1-CA 3.48Å; D138-V417 WeakPolarHBondContact CA-O 3.33Å; D138-V417 PolarHBondContact OD1-N 3.11Å; D138-K619 HydrophobicContact CB-CB 4.36Å; D138-K619 HydrophobicContact CB-CD 3.96Å; D138-K619 HydrophobicContact CB-CG 3.7Å; D138-K619 WeakPolarHBondContact O-CA 3.16Å; D138-E620 PolarHBondContact O-N 3.33Å
139	Q	91.9	Very high	84	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	153.8	-174.3	-56.4	-71	-52.5	0	0	109.8	A128 M132 K137 V417 I418 G419 K619 E620	A128-Q139 HydrophobicContact CB-CB 4.33Å; A128-Q139 WeakPolarHBondContact O-CG 3.45Å; M132-Q139 HydrophobicContact CB-CG 3.79Å; K137-Q139 PolarHBondContact O-NE2 3.41Å; K137-Q139 VanDerWaalsContact O-NE2 3.15Å; Q139-V417 PolarHBondContact N-O 2.85Å; Q139-I418 HydrophobicContact CB-CG1 4.27Å; Q139-I418 HydrophobicContact CB-CG2 4.33Å; Q139-I418 CarbonylContact O-C 3.58Å; Q139-I418 WeakPolarHBondContact O-CA 3.31Å; Q139-G419 PolarHBondContact O-N 2.98Å; Q139-K619 WeakPolarHBondContact O-CD 3.32Å; Q139-E620 CarbonylContact C-O 3.48Å; Q139-E620 WeakPolarHBondContact CA-O 3.27Å; Q139-E620 PolarHBondContact NE2-OE2 3.3Å; Q139-E620 PolarHBondContact OE1-OE2 2.7Å
140	C	92.3	Very high	83.9	Confident	1 Å²	1	40 Å²	40	1%	0.007	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	129.8	172.2	-175.8	0	0	0	0	110.6	L142 G419 L616 K619 E620 P621 S622	C140-L142 HydrophobicContact CB-CD1 4.19Å; C140-G419 CarbonylContact C-O 3.48Å; C140-G419 VanDerWaalsContact CA-O 3.25Å; C140-G419 WeakPolarHBondContact CA-O 3.38Å; C140-L616 HydrophobicContact CB-CD2 4.33Å; C140-L616 WeakPolarHBondContact SG-CD2 3.33Å; C140-K619 HydrophobicContact CB-CB 3.99Å; C140-K619 HydrophobicContact CB-CD 4.21Å; C140-E620 PolarHBondContact N-O 3.16Å; C140-P621 CarbonylContact O-C 3.56Å; C140-P621 WeakPolarHBondContact O-CA 3.42Å; C140-S622 PolarHBondContact O-N 2.86Å
141	I	93	Very high	84	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	112.7	172.8	-52.3	175.4	0	0	0	108.5	V124 A128 I143 I158 Y162 I418 G419 L420 L421 S622 V624	V124-I141 HydrophobicContact CG1-CD1 4.48Å; V124-I141 HydrophobicContact CG1-CG2 4.4Å; A128-I141 HydrophobicContact CB-CD1 4.1Å; A128-I141 HydrophobicContact CB-CG1 4.32Å; I141-I143 HydrophobicContact CG2-CG1 4.34Å; I141-I158 HydrophobicContact CD1-CD1 4.4Å; I141-I158 HydrophobicContact CD1-CG2 4.01Å; I141-I158 HydrophobicContact CG2-CD1 4.03Å; I141-Y162 WeakPolarHBondContact CD1-OH 3.33Å; I141-I418 HydrophobicContact CD1-CG2 4.45Å; I141-I418 HydrophobicContact CG1-CG2 4.49Å; I141-G419 PolarHBondContact N-O 2.72Å; I141-L420 HydrophobicContact CB-CD2 3.76Å; I141-L420 HydrophobicContact CD1-CD2 3.94Å; I141-L420 HydrophobicContact CG1-CD2 4.11Å; I141-L421 PolarHBondContact O-N 3.42Å; I141-S622 CarbonylContact C-O 3.53Å; I141-S622 WeakPolarHBondContact CA-O 3.42Å; I141-V624 HydrophobicContact CG2-CG2 3.93Å
142	L	89.8	Confident	84	Confident	19 Å²	19	39.5 Å²	39.5	10%	0.099	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	119.7	178.6	-68	84.7	0	0	0	109.7	C140 L421 L446 L616 P621 S622 Y623 V624	C140-L142 HydrophobicContact CB-CD1 4.19Å; L142-L421 HydrophobicContact CD2-CD2 4.06Å; L142-L421 HydrophobicContact CG-CB 4.37Å; L142-L421 HydrophobicContact CG-CD2 4.2Å; L142-L446 HydrophobicContact CD2-CD2 4.31Å; L142-L616 HydrophobicContact CD1-CD2 4.49Å; L142-L616 HydrophobicContact CD2-CD1 4.28Å; L142-P621 HydrophobicContact CD1-CB 3.86Å; L142-S622 PolarHBondContact N-O 2.92Å; L142-Y623 HydrophobicContact CB-CD1 3.92Å; L142-Y623 HydrophobicContact CB-CE1 4.25Å; L142-Y623 HydrophobicContact CD1-CD1 4.32Å; L142-Y623 HydrophobicContact CD1-CE1 3.95Å; L142-Y623 HydrophobicContact CD2-CE1 4.1Å; L142-Y623 HydrophobicContact CG-CD1 4.5Å; L142-Y623 HydrophobicContact CG-CE1 4.34Å; L142-V624 PolarHBondContact O-N 3.06Å
143	I	90.2	Very high	83.9	Confident	3 Å²	3	43.3 Å²	43.3	2%	0.015	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	118.3	-179.6	-48.8	173.9	0	0	0	108.3	I141 K151 A154 I158 L421 V624	I141-I143 HydrophobicContact CG2-CG1 4.34Å; I143-K151 HydrophobicContact CG2-CB 3.86Å; I143-K151 HydrophobicContact CG2-CG 4.1Å; I143-A154 HydrophobicContact CD1-CB 4.42Å; I143-A154 HydrophobicContact CG2-CB 4.23Å; I143-I158 HydrophobicContact CD1-CD1 3.84Å; I143-L421 PolarHBondContact N-O 3.27Å; I143-V624 WeakPolarHBondContact CA-O 3.37Å; I143-V624 HydrophobicContact CG1-CB 4.31Å; I143-V624 HydrophobicContact CG2-CB 4.39Å; I143-V624 HydrophobicContact CG2-CG1 4.48Å
144	S	86.5	Confident	84.3	Confident	12 Å²	12	36.9 Å²	36.9	8%	0.084	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	157.6	-176.6	63.4	0	0	0	0	110.8	V624 R625 C626	S144-V624 PolarHBondContact N-O 2.87Å; S144-R625 WeakPolarHBondContact OG-CD 3.23Å; S144-R625 PolarHBondContact OG-NH1 3.43Å; S144-C626 PolarHBondContact O-N 3.48Å
145	G	83.9	Confident	84.9	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.1	160.1	-173.9	0	0	0	0	0	111.5	K151 G425 C626	G145-K151 PolarHBondContact O-NZ 2.9Å; G145-G425 WeakPolarHBondContact O-CA 3.49Å; G145-C626 VanDerWaalsContact CA-O 3.26Å; G145-C626 WeakPolarHBondContact CA-O 3.44Å
146	E	77.6	Confident	85.4	Confident	9 Å²	9	31 Å²	31	4%	0.042	15%	0.153	C	C	.	.	S	Bend	trans	-59.2	162.3	173.8	-108.5	172.9	-162.7	0	0	111.9	G148 A149 K151 Y649	E146-G148 PolarHBondContact O-N 3.43Å; E146-A149 WeakPolarHBondContact O-CB 3.44Å; E146-A149 PolarHBondContact O-N 3.16Å; E146-A149 VanDerWaalsContact O-N 3.14Å; E146-K151 PolarHBondContact O-NZ 2.62Å; E146-Y649 VanDerWaalsContact CB-OH 3.24Å; E146-Y649 WeakPolarHBondContact CB-OH 3.29Å; E146-Y649 HydrophobicContact CG-CE1 4.01Å; E146-Y649 HydrophobicContact CG-CE2 4.35Å; E146-Y649 WeakPolarHBondContact CG-OH 3.45Å; E146-Y649 WeakPolarHBondContact OE1-CE1 3.36Å; E146-Y649 PolarHBondContact OE1-OH 2.8Å
147	S	75.1	Confident	86.1	Confident	19 Å²	19	24.2 Å²	24.2	13%	0.133	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	131.6	172.2	-169.1	0	0	0	0	110.4	N197 S200	S147-N197 VanDerWaalsContact OG-CB 3.3Å; S147-N197 WeakPolarHBondContact OG-CB 3.33Å; S147-N197 PolarHBondContact OG-ND2 3.36Å; S147-N197 VanDerWaalsContact OG-ND2 3.12Å; S147-S200 WeakPolarHBondContact OG-CB 3.28Å; S147-S200 PolarHBondContact OG-OG 3.13Å
148	G	76	Confident	86.6	Confident	14 Å²	14	19 Å²	19	14%	0.144	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	1.9	-175	0	0	0	0	0	115.6	N93 E146 G150 N197	N93-G148 PolarHBondContact ND2-O 3.24Å; E146-G148 PolarHBondContact O-N 3.43Å; G148-G150 PolarHBondContact O-N 2.97Å; G148-N197 PolarHBondContact N-ND2 3.31Å
149	A	84.7	Confident	86.5	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	-73.5	-7.7	176.8	0	0	0	0	0	114.5	E146 C626 K628	E146-A149 WeakPolarHBondContact O-CB 3.44Å; E146-A149 PolarHBondContact O-N 3.16Å; E146-A149 VanDerWaalsContact O-N 3.14Å; A149-C626 HydrophobicContact CB-CB 3.73Å; A149-K628 HydrophobicContact CB-CB 4.32Å
150	G	86.5	Confident	86.3	Confident	23 Å²	23	19.4 Å²	19.4	24%	0.237	11%	0.106	C	C	.	.	S	Bend	trans	97.2	20.8	177.6	0	0	0	0	0	115.9	G148 T152 E153 A154	G148-G150 PolarHBondContact O-N 2.97Å; G150-T152 PolarHBondContact O-N 3.07Å; G150-E153 PolarHBondContact O-N 3.39Å; G150-A154 PolarHBondContact O-N 3.19Å
151	K	86.3	Confident	86.1	Confident	15 Å²	15	19.3 Å²	19.3	7%	0.065	11%	0.106	C	C	.	.	H	α-helix	trans	-56.4	-49.8	179.5	-60.3	-175.1	-69.2	-81	0	113.4	I143 G145 E146 E153 A154 S155 D422 I423 C626	I143-K151 HydrophobicContact CG2-CB 3.86Å; I143-K151 HydrophobicContact CG2-CG 4.1Å; G145-K151 PolarHBondContact O-NZ 2.9Å; E146-K151 PolarHBondContact O-NZ 2.62Å; K151-E153 VanDerWaalsContact C-N 3.35Å; K151-E153 PolarHBondContact O-N 2.97Å; K151-A154 WeakPolarHBondContact O-CB 3.38Å; K151-A154 PolarHBondContact O-N 3.25Å; K151-A154 VanDerWaalsContact O-N 3.15Å; K151-S155 PolarHBondContact O-N 3.46Å; K151-D422 WeakPolarHBondContact CB-OD1 3.38Å; K151-I423 WeakPolarHBondContact CD-O 3.34Å; K151-I423 WeakPolarHBondContact CE-O 3.43Å; K151-C626 HydrophobicContact CG-CB 4.2Å
152	T	81.6	Confident	85.9	Confident	29 Å²	29	19.5 Å²	19.5	18%	0.178	11%	0.107	C	C	.	.	H	α-helix	trans	-65.3	-38	-178.6	-52.2	0	0	0	0	111.9	G150 S155 K156 D422	G150-T152 PolarHBondContact O-N 3.07Å; T152-S155 PolarHBondContact O-N 3.39Å; T152-K156 WeakPolarHBondContact O-CB 3.27Å; T152-K156 PolarHBondContact O-N 2.97Å; T152-D422 WeakPolarHBondContact CA-OD2 3.36Å; T152-D422 PolarHBondContact OG1-OD2 3.14Å
153	E	85.7	Confident	85.5	Confident	84 Å²	84	19.3 Å²	19.3	39%	0.393	11%	0.107	S	C	.	.	H	α-helix	trans	-65.7	-41.2	172.4	-81.6	-62.4	137.5	0	0	111.6	G150 K151 S155 K156 K157	G150-E153 PolarHBondContact O-N 3.39Å; K151-E153 VanDerWaalsContact C-N 3.35Å; K151-E153 PolarHBondContact O-N 2.97Å; E153-S155 PolarHBondContact O-N 3.5Å; E153-K156 WeakPolarHBondContact O-CB 3.41Å; E153-K156 PolarHBondContact O-N 2.87Å; E153-K156 IonicContact OE1-NZ 3.36Å; E153-K156 PolarHBondContact OE1-NZ 2.77Å; E153-K156 IonicContact OE2-NZ 2.68Å; E153-K157 WeakPolarHBondContact O-CG 3.44Å; E153-K157 PolarHBondContact O-N 3.32Å; E153-K157 IonicContact OE2-NZ 2.77Å
154	A	90.9	Very high	85.2	Confident	4 Å²	4	22.5 Å²	22.5	3%	0.033	13%	0.127	C	C	.	.	H	α-helix	trans	-58.2	-47	173.3	0	0	0	0	0	111.9	I121 I143 G150 K151 K156 K157 I158	I121-A154 HydrophobicContact CD1-CB 3.56Å; I121-A154 VanDerWaalsContact CD1-O 3.31Å; I121-A154 WeakPolarHBondContact CD1-O 3.25Å; I143-A154 HydrophobicContact CD1-CB 4.42Å; I143-A154 HydrophobicContact CG2-CB 4.23Å; G150-A154 PolarHBondContact O-N 3.19Å; K151-A154 WeakPolarHBondContact O-CB 3.38Å; K151-A154 PolarHBondContact O-N 3.25Å; K151-A154 VanDerWaalsContact O-N 3.15Å; A154-K156 PolarHBondContact O-N 2.82Å; A154-K157 PolarHBondContact O-N 3.29Å; A154-I158 WeakPolarHBondContact O-CG1 2.92Å; A154-I158 PolarHBondContact O-N 3.1Å
155	S	88.6	Confident	85	Confident	2 Å²	2	22.4 Å²	22.4	1%	0.014	13%	0.126	C	C	.	.	H	α-helix	trans	-57.2	-47.1	175.2	-175	0	0	0	0	111.7	K151 T152 E153 K157 I158 L159	K151-S155 PolarHBondContact O-N 3.46Å; T152-S155 PolarHBondContact O-N 3.39Å; E153-S155 PolarHBondContact O-N 3.5Å; S155-K157 PolarHBondContact O-N 3.26Å; S155-I158 PolarHBondContact O-N 3.14Å; S155-L159 WeakPolarHBondContact O-CG 3.4Å; S155-L159 PolarHBondContact O-N 2.99Å
156	K	86.1	Confident	84.9	Confident	75 Å²	75	22.9 Å²	22.9	33%	0.326	13%	0.129	S	C	.	.	H	α-helix	trans	-60.9	-41.9	176.5	-178.3	-179.1	175.3	-175.1	0	112.6	T152 E153 A154 L159 Q160	T152-K156 WeakPolarHBondContact O-CB 3.27Å; T152-K156 PolarHBondContact O-N 2.97Å; E153-K156 WeakPolarHBondContact O-CB 3.41Å; E153-K156 PolarHBondContact O-N 2.87Å; E153-K156 IonicContact OE1-NZ 3.36Å; E153-K156 PolarHBondContact OE1-NZ 2.77Å; E153-K156 IonicContact OE2-NZ 2.68Å; A154-K156 PolarHBondContact O-N 2.82Å; K156-L159 PolarHBondContact O-N 2.78Å; K156-Q160 WeakPolarHBondContact O-CB 3.39Å; K156-Q160 WeakPolarHBondContact O-CG 3.45Å; K156-Q160 PolarHBondContact O-N 3.36Å
157	K	91	Very high	84.7	Confident	34 Å²	34	25.3 Å²	25.3	15%	0.148	15%	0.146	C	C	.	.	H	α-helix	trans	-66.5	-36.5	176.8	-62.9	-47.3	173.7	-178.5	0	112.3	Y101 I121 Y122 E153 A154 S155 Q160 Y161	Y101-K157 HydrophobicContact CD1-CD 4.03Å; Y101-K157 HydrophobicContact CD1-CG 3.98Å; Y101-K157 HydrophobicContact CD2-CD 4.39Å; Y101-K157 HydrophobicContact CE1-CB 4.45Å; Y101-K157 HydrophobicContact CE1-CD 4.34Å; Y101-K157 HydrophobicContact CE1-CG 3.85Å; Y101-K157 HydrophobicContact CG-CD 4.05Å; Y101-K157 HydrophobicContact CG-CG 4.46Å; I121-K157 HydrophobicContact CG2-CB 4.32Å; Y122-K157 HydrophobicContact CE1-CB 4.38Å; E153-K157 WeakPolarHBondContact O-CG 3.44Å; E153-K157 PolarHBondContact O-N 3.32Å; E153-K157 IonicContact OE2-NZ 2.77Å; A154-K157 PolarHBondContact O-N 3.29Å; S155-K157 PolarHBondContact O-N 3.26Å; K157-Q160 PolarHBondContact O-N 2.9Å; K157-Y161 WeakPolarHBondContact O-CB 3.32Å; K157-Y161 PolarHBondContact O-N 2.81Å
158	I	91.6	Very high	84.1	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.9	-48.3	174.6	-66.8	162.2	0	0	0	110.2	I121 S125 I141 I143 A154 S155 Q160 Y161 Y162 L420	I121-I158 HydrophobicContact CD1-CD1 3.87Å; I121-I158 HydrophobicContact CD1-CG1 3.68Å; I121-I158 HydrophobicContact CG1-CD1 4.07Å; I121-I158 HydrophobicContact CG1-CG1 3.68Å; S125-I158 WeakPolarHBondContact OG-CG1 3.29Å; I141-I158 HydrophobicContact CD1-CD1 4.4Å; I141-I158 HydrophobicContact CD1-CG2 4.01Å; I141-I158 HydrophobicContact CG2-CD1 4.03Å; I143-I158 HydrophobicContact CD1-CD1 3.84Å; A154-I158 WeakPolarHBondContact O-CG1 2.92Å; A154-I158 PolarHBondContact O-N 3.1Å; S155-I158 PolarHBondContact O-N 3.14Å; I158-Q160 VanDerWaalsContact C-N 3.34Å; I158-Q160 PolarHBondContact O-N 3.06Å; I158-Y161 WeakPolarHBondContact O-CB 3.49Å; I158-Y161 PolarHBondContact O-N 3.01Å; I158-Y161 VanDerWaalsContact O-N 3.11Å; I158-Y162 HydrophobicContact CG2-CD2 3.98Å; I158-Y162 HydrophobicContact CG2-CE2 3.39Å; I158-Y162 PolarHBondContact O-N 2.89Å; I158-Y162 VanDerWaalsContact O-N 3.1Å; I158-L420 HydrophobicContact CG2-CD1 4.19Å; I158-L420 HydrophobicContact CG2-CD2 3.78Å
159	L	87.2	Confident	83.4	Confident	8 Å²	8	30 Å²	30	4%	0.042	18%	0.18	C	C	.	.	H	α-helix	trans	-61.3	-42.8	176.9	-70.7	172.5	0	0	0	112	S155 K156 Y161 Y162 A163 L179 L180 M207 V209 L420	S155-L159 WeakPolarHBondContact O-CG 3.4Å; S155-L159 PolarHBondContact O-N 2.99Å; K156-L159 PolarHBondContact O-N 2.78Å; L159-Y161 VanDerWaalsContact C-N 3.27Å; L159-Y161 PolarHBondContact O-N 2.79Å; L159-Y162 PolarHBondContact O-N 2.77Å; L159-A163 WeakPolarHBondContact O-CB 3.35Å; L159-A163 PolarHBondContact O-N 2.87Å; L159-L179 HydrophobicContact CD1-CD2 3.68Å; L159-L179 HydrophobicContact CD2-CD2 3.49Å; L159-L179 VanDerWaalsContact CD2-CD2 3.49Å; L159-L179 HydrophobicContact CG-CD2 4.08Å; L159-L180 HydrophobicContact CB-CD2 3.93Å; L159-M207 HydrophobicContact CD1-CE 4.43Å; L159-M207 HydrophobicContact CD1-SD 3.72Å; L159-M207 HydrophobicContact CD2-SD 4.08Å; L159-V209 HydrophobicContact CD2-CG2 3.73Å; L159-L420 HydrophobicContact CD1-CD1 4.24Å; L159-L420 HydrophobicContact CD2-CD1 3.39Å; L159-L420 HydrophobicContact CG-CD1 3.57Å
160	Q	87	Confident	82.4	Confident	55 Å²	55	38.2 Å²	38.2	26%	0.257	22%	0.218	S	C	.	.	H	α-helix	trans	-61.1	-36.1	174.1	-76.2	176.1	-4.5	0	0	112.4	M106 K156 K157 I158 V164 L180	M106-Q160 HydrophobicContact CE-CB 4.48Å; K156-Q160 WeakPolarHBondContact O-CB 3.39Å; K156-Q160 WeakPolarHBondContact O-CG 3.45Å; K156-Q160 PolarHBondContact O-N 3.36Å; K157-Q160 PolarHBondContact O-N 2.9Å; I158-Q160 VanDerWaalsContact C-N 3.34Å; I158-Q160 PolarHBondContact O-N 3.06Å; Q160-V164 WeakPolarHBondContact O-CG2 3.47Å; Q160-V164 PolarHBondContact O-N 3.46Å; Q160-L180 HydrophobicContact CG-CD2 4.24Å
161	Y	89.8	Confident	81.1	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.7	-52.5	176.5	-177.6	-95.3	0	0	0	111.3	M106 R110 Y122 D126 K157 I158 L159 A163 V164 T165	M106-Y161 HydrophobicContact CB-CD2 4.12Å; M106-Y161 HydrophobicContact CB-CE2 4.1Å; M106-Y161 HydrophobicContact CG-CD2 4.05Å; M106-Y161 HydrophobicContact CG-CE2 4.5Å; R110-Y161 WeakPolarHBondContact CA-OH 3.05Å; Y122-Y161 AromaticContact CD1-CD2 3.37Å; Y122-Y161 HydrophobicContact CD1-CD2 3.37Å; Y122-Y161 HydrophobicContact CD1-CE2 4.23Å; Y122-Y161 AromaticContact CD1-CG 3.77Å; Y122-Y161 HydrophobicContact CD1-CG 3.77Å; Y122-Y161 HydrophobicContact CD2-CD2 4.07Å; Y122-Y161 HydrophobicContact CD2-CE2 4.39Å; Y122-Y161 AromaticContact CE1-CD2 3.94Å; Y122-Y161 HydrophobicContact CE1-CD2 3.94Å; Y122-Y161 HydrophobicContact CE1-CG 4.31Å; Y122-Y161 AromaticContact CG-CD2 3.45Å; Y122-Y161 HydrophobicContact CG-CD2 3.45Å; Y122-Y161 VanDerWaalsContact CG-CD2 3.45Å; Y122-Y161 AromaticContact CG-CE2 3.87Å; Y122-Y161 HydrophobicContact CG-CE2 3.87Å; Y122-Y161 HydrophobicContact CG-CG 4.26Å; D126-Y161 HydrophobicContact CB-CE1 4.08Å; D126-Y161 WeakPolarHBondContact CB-OH 3.46Å; D126-Y161 PolarHBondContact OD1-OH 3.22Å; K157-Y161 WeakPolarHBondContact O-CB 3.32Å; K157-Y161 PolarHBondContact O-N 2.81Å; I158-Y161 WeakPolarHBondContact O-CB 3.49Å; I158-Y161 PolarHBondContact O-N 3.01Å; I158-Y161 VanDerWaalsContact O-N 3.11Å; L159-Y161 VanDerWaalsContact C-N 3.27Å; L159-Y161 PolarHBondContact O-N 2.79Å; Y161-A163 VanDerWaalsContact C-N 3.28Å; Y161-A163 PolarHBondContact O-N 3.32Å; Y161-V164 PolarHBondContact O-N 3.14Å; Y161-V164 VanDerWaalsContact O-N 3.15Å; Y161-T165 HydrophobicContact CD1-CG2 4.47Å; Y161-T165 HydrophobicContact CD2-CG2 3.98Å; Y161-T165 HydrophobicContact CE1-CG2 4.15Å; Y161-T165 WeakPolarHBondContact CE1-OG1 3.27Å; Y161-T165 HydrophobicContact CE2-CG2 3.63Å; Y161-T165 HydrophobicContact CG-CG2 4.39Å; Y161-T165 WeakPolarHBondContact O-CG2 3.44Å; Y161-T165 PolarHBondContact O-N 3.09Å; Y161-T165 PolarHBondContact O-OG1 3.3Å
162	Y	87.9	Confident	80.1	Confident	4 Å²	4	44.1 Å²	44.1	2%	0.016	24%	0.241	C	C	.	.	H	α-helix	trans	-61.3	-39.9	177.1	-62.2	-38.3	0	0	0	112	S125 I141 I158 L159 V164 C166 F211 I418	S125-Y162 WeakPolarHBondContact CA-OH 3.42Å; S125-Y162 VanDerWaalsContact O-CE1 3.25Å; S125-Y162 WeakPolarHBondContact O-CE1 3.46Å; S125-Y162 PolarHBondContact O-OH 2.97Å; I141-Y162 WeakPolarHBondContact CD1-OH 3.33Å; I158-Y162 HydrophobicContact CG2-CD2 3.98Å; I158-Y162 HydrophobicContact CG2-CE2 3.39Å; I158-Y162 PolarHBondContact O-N 2.89Å; I158-Y162 VanDerWaalsContact O-N 3.1Å; L159-Y162 PolarHBondContact O-N 2.77Å; Y162-V164 PolarHBondContact O-N 3.3Å; Y162-C166 WeakPolarHBondContact O-CB 3.49Å; Y162-C166 PolarHBondContact O-N 3.43Å; Y162-C166 VanDerWaalsContact O-N 3.16Å; Y162-C166 PolarHBondContact O-SG 3.32Å; Y162-F211 HydrophobicContact CD2-CZ 4.45Å; Y162-F211 HydrophobicContact CG-CZ 4.35Å; Y162-I418 HydrophobicContact CE1-CD1 4.32Å; Y162-I418 HydrophobicContact CE2-CD1 4.27Å; Y162-I418 HydrophobicContact CE2-CG2 4.18Å
163	A	81.8	Confident	79.5	Confident	14 Å²	14	47.5 Å²	47.5	12%	0.116	25%	0.254	C	S	.	.	H	α-helix	trans	-60	-27	177.1	0	0	0	0	0	114	L159 Y161 K176 L180	L159-A163 WeakPolarHBondContact O-CB 3.35Å; L159-A163 PolarHBondContact O-N 2.87Å; Y161-A163 VanDerWaalsContact C-N 3.28Å; Y161-A163 PolarHBondContact O-N 3.32Å; A163-K176 HydrophobicContact CB-CD 3.57Å; A163-K176 HydrophobicContact CB-CG 3.71Å; A163-K176 WeakPolarHBondContact O-CD 3.38Å; A163-K176 WeakPolarHBondContact O-CE 3.46Å; A163-K176 PolarHBondContact O-NZ 2.97Å; A163-L180 HydrophobicContact CB-CD1 4.42Å
164	V	83.4	Confident	78.9	Confident	70 Å²	70	46.7 Å²	46.7	42%	0.424	26%	0.255	S	S	.	.	H	α-helix	trans	-103.1	-35.6	-177.4	175.1	0	0	0	0	112.3	M106 Q160 Y161 Y162	M106-V164 HydrophobicContact SD-CB 3.84Å; M106-V164 HydrophobicContact SD-CG1 3.87Å; M106-V164 HydrophobicContact SD-CG2 4.11Å; Q160-V164 WeakPolarHBondContact O-CG2 3.47Å; Q160-V164 PolarHBondContact O-N 3.46Å; Y161-V164 PolarHBondContact O-N 3.14Å; Y161-V164 VanDerWaalsContact O-N 3.15Å; Y162-V164 PolarHBondContact O-N 3.3Å
165	T	82.7	Confident	78.1	Confident	11 Å²	11	47.6 Å²	47.6	7%	0.067	26%	0.26	C	S	.	.	H	α-helix	trans	-93.3	-22.2	-171.8	62.9	0	0	0	0	114.3	M106 R110 Y161	M106-T165 HydrophobicContact CB-CG2 4.16Å; R110-T165 PolarHBondContact NE-O 3.04Å; R110-T165 PolarHBondContact NH2-O 2.96Å; Y161-T165 HydrophobicContact CD1-CG2 4.47Å; Y161-T165 HydrophobicContact CD2-CG2 3.98Å; Y161-T165 HydrophobicContact CE1-CG2 4.15Å; Y161-T165 WeakPolarHBondContact CE1-OG1 3.27Å; Y161-T165 HydrophobicContact CE2-CG2 3.63Å; Y161-T165 HydrophobicContact CG-CG2 4.39Å; Y161-T165 WeakPolarHBondContact O-CG2 3.44Å; Y161-T165 PolarHBondContact O-N 3.09Å; Y161-T165 PolarHBondContact O-OG1 3.3Å
166	C	81.6	Confident	77.3	Confident	10 Å²	10	50 Å²	50	7%	0.068	27%	0.27	C	S	.	.	S	Bend	trans	-76.3	147.9	176.4	-62.8	0	0	0	0	111.2	Y129 Y162 A168 P217	Y129-C166 VanDerWaalsContact CE2-SG 3.52Å; Y162-C166 WeakPolarHBondContact O-CB 3.49Å; Y162-C166 PolarHBondContact O-N 3.43Å; Y162-C166 VanDerWaalsContact O-N 3.16Å; Y162-C166 PolarHBondContact O-SG 3.32Å; C166-A168 PolarHBondContact O-N 3.2Å; C166-P217 HydrophobicContact CB-CG 4.33Å
167	P	72.2	Confident	77	Confident	61 Å²	61	49.7 Å²	49.7	40%	0.396	27%	0.273	S	S	.	.			trans	-61.7	134.2	174.1	25.7	-31.9	0	0	0	110.2	A216	P167-A216 HydrophobicContact CG-CB 4.37Å; P167-A216 VanDerWaalsContact O-CB 3.25Å; P167-A216 WeakPolarHBondContact O-CB 3.47Å
168	A	62.4	Low	76.7	Confident	68 Å²	68	51.4 Å²	51.4	56%	0.562	28%	0.278	S	S	*	.			trans	-123.6	131.4	-177.8	0	0	0	0	0	111.5	C166 V172	C166-A168 PolarHBondContact O-N 3.2Å; A168-V172 HydrophobicContact CB-CG1 4.09Å
169	S	62.5	Low	76.2	Confident	63 Å²	63	52 Å²	52	44%	0.441	28%	0.281	S	S	.	.			trans	-91.2	165.3	156.6	60.5	0	0	0	0	109.7	Q171 V172 Q173	S169-Q171 VanDerWaalsContact C-N 3.27Å; S169-Q171 PolarHBondContact O-N 3.36Å; S169-V172 WeakPolarHBondContact O-CB 3.28Å; S169-V172 PolarHBondContact O-N 3.43Å; S169-V172 VanDerWaalsContact O-N 3.09Å; S169-V172 VanDerWaalsContact OG-CG2 3.27Å; S169-V172 WeakPolarHBondContact OG-CG2 3.32Å; S169-Q173 PolarHBondContact O-N 3.21Å; S169-Q173 VanDerWaalsContact O-N 3.14Å
170	E	62.6	Low	76	Confident	172 Å²	172	53.2 Å²	53.2	80%	0.804	29%	0.288	S	S	*	.	H	α-helix	trans	-57.4	-37.2	179.7	-77	-175.3	150.3	0	0	113.2	Q173	E170-Q173 WeakPolarHBondContact O-CB 3.42Å; E170-Q173 PolarHBondContact O-N 3.19Å
171	Q	60.8	Low	76	Confident	155 Å²	155	53.5 Å²	53.5	72%	0.724	29%	0.289	S	S	*	.	H	α-helix	trans	-66	-37.9	176.5	-72	172.4	-15.8	0	0	112.2	S169 Q173 T174 V175	S169-Q171 VanDerWaalsContact C-N 3.27Å; S169-Q171 PolarHBondContact O-N 3.36Å; Q171-Q173 VanDerWaalsContact C-N 3.29Å; Q171-Q173 PolarHBondContact O-N 3.33Å; Q171-T174 PolarHBondContact O-N 3.24Å; Q171-V175 PolarHBondContact O-N 2.94Å
172	V	64.8	Low	76	Confident	8 Å²	8	53.5 Å²	53.5	5%	0.048	29%	0.289	C	S	.	.	H	α-helix	trans	-65.9	-32.5	176.6	161.6	0	0	0	0	111.6	A168 S169 T174 V175 K176 A216 P217 V218	A168-V172 HydrophobicContact CB-CG1 4.09Å; S169-V172 WeakPolarHBondContact O-CB 3.28Å; S169-V172 PolarHBondContact O-N 3.43Å; S169-V172 VanDerWaalsContact O-N 3.09Å; S169-V172 VanDerWaalsContact OG-CG2 3.27Å; S169-V172 WeakPolarHBondContact OG-CG2 3.32Å; V172-T174 VanDerWaalsContact C-N 3.3Å; V172-T174 PolarHBondContact O-N 3.32Å; V172-V175 PolarHBondContact O-N 3.13Å; V172-K176 WeakPolarHBondContact O-CB 3.48Å; V172-K176 PolarHBondContact O-N 3.41Å; V172-A216 HydrophobicContact CG2-CB 4.32Å; V172-P217 HydrophobicContact CG1-CG 3.78Å; V172-P217 WeakPolarHBondContact CG1-O 3.35Å; V172-P217 WeakPolarHBondContact CG2-O 3.38Å; V172-V218 HydrophobicContact CG2-CG1 4.33Å
173	Q	67.9	Low	75.9	Confident	99 Å²	99	53.7 Å²	53.7	46%	0.463	29%	0.29	S	S	.	.	H	α-helix	trans	-65.7	-33.8	177	-162.6	167.1	-6.3	0	0	112.3	S169 E170 Q171 K176 D177	S169-Q173 PolarHBondContact O-N 3.21Å; S169-Q173 VanDerWaalsContact O-N 3.14Å; E170-Q173 WeakPolarHBondContact O-CB 3.42Å; E170-Q173 PolarHBondContact O-N 3.19Å; Q171-Q173 VanDerWaalsContact C-N 3.29Å; Q171-Q173 PolarHBondContact O-N 3.33Å; Q173-K176 WeakPolarHBondContact O-CB 3.3Å; Q173-D177 PolarHBondContact O-N 3Å
174	T	73.5	Confident	76.4	Confident	67 Å²	67	54.6 Å²	54.6	41%	0.411	30%	0.295	S	S	.	.	H	α-helix	trans	-69.1	-45	176.8	-54	0	0	0	0	111.8	Q171 V172 K176 D177 R178	Q171-T174 PolarHBondContact O-N 3.24Å; V172-T174 VanDerWaalsContact C-N 3.3Å; V172-T174 PolarHBondContact O-N 3.32Å; T174-K176 VanDerWaalsContact C-N 3.32Å; T174-K176 PolarHBondContact O-N 3.33Å; T174-D177 PolarHBondContact O-N 2.94Å; T174-R178 WeakPolarHBondContact O-CG 3.25Å; T174-R178 PolarHBondContact O-N 3.1Å
175	V	74.3	Confident	76.8	Confident	23 Å²	23	51.2 Å²	51.2	14%	0.139	28%	0.275	C	S	.	.	H	α-helix	trans	-63.4	-41.6	177.4	176.9	0	0	0	0	110.8	Q171 V172 D177 R178 L179	Q171-V175 PolarHBondContact O-N 2.94Å; V172-V175 PolarHBondContact O-N 3.13Å; V175-D177 PolarHBondContact O-N 3.45Å; V175-R178 PolarHBondContact O-N 3.35Å; V175-L179 WeakPolarHBondContact O-CB 3.28Å; V175-L179 PolarHBondContact O-N 3.35Å
176	K	72.6	Confident	77.2	Confident	52 Å²	52	50.8 Å²	50.8	23%	0.226	27%	0.272	C	S	.	.	H	α-helix	trans	-55.7	-50	173.6	162.5	-172.9	153.1	167.9	0	112.2	A163 V172 Q173 T174 L179 L180	A163-K176 HydrophobicContact CB-CD 3.57Å; A163-K176 HydrophobicContact CB-CG 3.71Å; A163-K176 WeakPolarHBondContact O-CD 3.38Å; A163-K176 WeakPolarHBondContact O-CE 3.46Å; A163-K176 PolarHBondContact O-NZ 2.97Å; V172-K176 WeakPolarHBondContact O-CB 3.48Å; V172-K176 PolarHBondContact O-N 3.41Å; Q173-K176 WeakPolarHBondContact O-CB 3.3Å; T174-K176 VanDerWaalsContact C-N 3.32Å; T174-K176 PolarHBondContact O-N 3.33Å; K176-L179 PolarHBondContact O-N 3.23Å; K176-L180 HydrophobicContact CG-CD1 4.34Å; K176-L180 PolarHBondContact O-N 3.22Å
177	D	79.2	Confident	77.6	Confident	70 Å²	70	52.4 Å²	52.4	37%	0.374	28%	0.278	S	S	.	.	H	α-helix	trans	-66.6	-39.9	-177.5	-73.4	-15.1	0	0	0	110.7	Q173 T174 V175 L179 L180 Q181	Q173-D177 PolarHBondContact O-N 3Å; T174-D177 PolarHBondContact O-N 2.94Å; V175-D177 PolarHBondContact O-N 3.45Å; D177-L179 PolarHBondContact O-N 3.04Å; D177-L180 PolarHBondContact O-N 3.22Å; D177-Q181 WeakPolarHBondContact O-CB 3.39Å; D177-Q181 VanDerWaalsContact O-CG 3.24Å; D177-Q181 WeakPolarHBondContact O-CG 3.14Å; D177-Q181 PolarHBondContact O-N 3.31Å
178	R	84.9	Confident	78.6	Confident	70 Å²	70	49.6 Å²	49.6	26%	0.264	26%	0.26	S	S	.	.	H	α-helix	trans	-59.3	-44.5	173.4	-71.2	-179.8	-177.7	164.6	4.7	112.6	T174 V175 L180 Q181 S182 S404 L405	T174-R178 WeakPolarHBondContact O-CG 3.25Å; T174-R178 PolarHBondContact O-N 3.1Å; V175-R178 PolarHBondContact O-N 3.35Å; R178-L180 PolarHBondContact O-N 3.33Å; R178-Q181 PolarHBondContact O-N 3.02Å; R178-S182 PolarHBondContact O-N 3.39Å; R178-S404 PolarHBondContact NH1-O 3.08Å; R178-L405 HydrophobicContact CB-CD2 3.79Å
179	L	81.6	Confident	80.2	Confident	11 Å²	11	46.5 Å²	46.5	6%	0.058	23%	0.234	C	C	.	.	H	α-helix	trans	-64.2	-41.5	-180	-167.3	149.9	0	0	0	111.3	L159 V175 K176 D177 S182 M207 V209 L405	L159-L179 HydrophobicContact CD1-CD2 3.68Å; L159-L179 HydrophobicContact CD2-CD2 3.49Å; L159-L179 VanDerWaalsContact CD2-CD2 3.49Å; L159-L179 HydrophobicContact CG-CD2 4.08Å; V175-L179 WeakPolarHBondContact O-CB 3.28Å; V175-L179 PolarHBondContact O-N 3.35Å; K176-L179 PolarHBondContact O-N 3.23Å; D177-L179 PolarHBondContact O-N 3.04Å; L179-S182 PolarHBondContact O-OG 3.11Å; L179-M207 HydrophobicContact CD1-SD 4.23Å; L179-M207 HydrophobicContact CD2-CE 4.41Å; L179-M207 HydrophobicContact CD2-SD 3.51Å; L179-M207 VanDerWaalsContact CD2-SD 3.51Å; L179-M207 HydrophobicContact CG-SD 3.89Å; L179-V209 HydrophobicContact CD1-CG2 4.18Å; L179-L405 HydrophobicContact CB-CD2 3.98Å
180	L	82.8	Confident	81.5	Confident	35 Å²	35	43.5 Å²	43.5	18%	0.183	21%	0.213	C	C	.	.	H	α-helix	trans	-67.9	-40.2	174.1	-70	171.8	0	0	0	112.8	L159 Q160 A163 K176 D177 R178 S182	L159-L180 HydrophobicContact CB-CD2 3.93Å; Q160-L180 HydrophobicContact CG-CD2 4.24Å; A163-L180 HydrophobicContact CB-CD1 4.42Å; K176-L180 HydrophobicContact CG-CD1 4.34Å; K176-L180 PolarHBondContact O-N 3.22Å; D177-L180 PolarHBondContact O-N 3.22Å; R178-L180 PolarHBondContact O-N 3.33Å; L180-S182 VanDerWaalsContact C-N 3.31Å; L180-S182 PolarHBondContact O-N 3.14Å
181	Q	86.8	Confident	82.8	Confident	60 Å²	60	35.4 Å²	35.4	28%	0.28	18%	0.175	S	C	.	.	H	α-helix	trans	-74.8	-15.8	178.7	-66.2	-51.5	-53	0	0	113.8	D177 R178 N183 P184 A295 V298 I299	D177-Q181 WeakPolarHBondContact O-CB 3.39Å; D177-Q181 VanDerWaalsContact O-CG 3.24Å; D177-Q181 WeakPolarHBondContact O-CG 3.14Å; D177-Q181 PolarHBondContact O-N 3.31Å; R178-Q181 PolarHBondContact O-N 3.02Å; Q181-N183 PolarHBondContact O-N 3.23Å; Q181-P184 WeakPolarHBondContact O-CD 3.33Å; Q181-A295 HydrophobicContact CB-CB 4.24Å; Q181-A295 WeakPolarHBondContact O-CB 3.39Å; Q181-V298 HydrophobicContact CB-CB 4.49Å; Q181-V298 HydrophobicContact CB-CG1 4.29Å; Q181-V298 HydrophobicContact CG-CB 4.19Å; Q181-V298 HydrophobicContact CG-CG1 3.84Å; Q181-I299 HydrophobicContact CB-CG1 4.47Å
182	S	88.8	Confident	84.2	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.7	-31.5	172.5	74.7	0	0	0	0	112.9	R178 L179 L180 V185 L186	R178-S182 PolarHBondContact O-N 3.39Å; L179-S182 PolarHBondContact O-OG 3.11Å; L180-S182 VanDerWaalsContact C-N 3.31Å; L180-S182 PolarHBondContact O-N 3.14Å; S182-V185 PolarHBondContact O-N 3.19Å; S182-L186 WeakPolarHBondContact O-CG 3.48Å; S182-L186 PolarHBondContact O-N 2.93Å
183	N	87.3	Confident	85.2	Confident	9 Å²	9	29.1 Å²	29.1	5%	0.048	15%	0.145	C	C	.	.	H	α-helix	trans	-63.2	-52	-175.3	-71.6	-49.1	0	0	0	112.8	Q181 V185 L186 E187 K205	Q181-N183 PolarHBondContact O-N 3.23Å; N183-V185 PolarHBondContact O-N 3.07Å; N183-L186 PolarHBondContact O-N 2.9Å; N183-L186 VanDerWaalsContact O-N 3.14Å; N183-E187 WeakPolarHBondContact O-CB 3.27Å; N183-E187 VanDerWaalsContact O-CG 3.28Å; N183-E187 WeakPolarHBondContact O-CG 3.38Å; N183-E187 PolarHBondContact O-N 2.84Å; N183-K205 PolarHBondContact OD1-NZ 3.44Å
184	P	90.9	Very high	85.7	Confident	32 Å²	32	24.6 Å²	24.6	21%	0.208	12%	0.124	C	C	.	.	H	α-helix	trans	-51.5	-38.9	175	-28.9	31	0	0	0	114.5	Q181 A188 V291 A295	Q181-P184 WeakPolarHBondContact O-CD 3.33Å; P184-A188 WeakPolarHBondContact O-CB 3.39Å; P184-A188 PolarHBondContact O-N 3.38Å; P184-V291 HydrophobicContact CB-CG1 3.96Å; P184-V291 HydrophobicContact CG-CG1 4.09Å; P184-A295 HydrophobicContact CB-CB 4.34Å
185	V	92.9	Very high	85.8	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-69.1	-49	178.6	178	0	0	0	0	110.4	S182 N183 E187 A188 F189 A295 L296 I299 L397 I401	S182-V185 PolarHBondContact O-N 3.19Å; N183-V185 PolarHBondContact O-N 3.07Å; V185-E187 VanDerWaalsContact C-N 3.29Å; V185-E187 PolarHBondContact O-N 2.73Å; V185-A188 PolarHBondContact O-N 3.16Å; V185-F189 HydrophobicContact CG1-CD2 4.35Å; V185-F189 HydrophobicContact CG1-CE2 4.41Å; V185-F189 WeakPolarHBondContact O-CD2 3.34Å; V185-F189 PolarHBondContact O-N 2.99Å; V185-A295 HydrophobicContact CG2-CB 3.71Å; V185-L296 HydrophobicContact CG1-CD2 3.96Å; V185-L296 HydrophobicContact CG2-CD2 4.02Å; V185-L296 HydrophobicContact CG2-CG 4.14Å; V185-I299 HydrophobicContact CB-CD1 4.36Å; V185-I299 HydrophobicContact CG2-CD1 3.71Å; V185-L397 HydrophobicContact CG1-CD1 4.18Å; V185-L397 HydrophobicContact CG1-CD2 3.84Å; V185-L397 HydrophobicContact CG1-CG 4.25Å; V185-I401 HydrophobicContact CG1-CD1 4.36Å
186	L	91	Very high	85.5	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-64.4	-34.1	177.8	-65.8	175.8	0	0	0	112.6	S182 N183 G190 F203 K205 I222 F394 V398 I401	S182-L186 WeakPolarHBondContact O-CG 3.48Å; S182-L186 PolarHBondContact O-N 2.93Å; N183-L186 PolarHBondContact O-N 2.9Å; N183-L186 VanDerWaalsContact O-N 3.14Å; L186-G190 VanDerWaalsContact O-CA 3.29Å; L186-G190 WeakPolarHBondContact O-CA 3.49Å; L186-G190 PolarHBondContact O-N 3.44Å; L186-F203 HydrophobicContact CB-CZ 3.97Å; L186-K205 HydrophobicContact CD1-CD 3.86Å; L186-I222 HydrophobicContact CD1-CD1 4.05Å; L186-I222 HydrophobicContact CD1-CG2 4.24Å; L186-F394 HydrophobicContact CD2-CE2 4.29Å; L186-F394 HydrophobicContact CD2-CZ 4.34Å; L186-V398 HydrophobicContact CD2-CG2 3.75Å; L186-I401 HydrophobicContact CD2-CD1 3.95Å; L186-I401 HydrophobicContact CG-CD1 4.25Å
187	E	89.8	Confident	85.6	Confident	45 Å²	45	29.3 Å²	29.3	21%	0.21	14%	0.141	C	C	.	.	H	α-helix	trans	-68.2	-40.7	174.6	-70.6	-178.4	-148.1	0	0	111.4	N183 V185 F189 N191 N199	N183-E187 WeakPolarHBondContact O-CB 3.27Å; N183-E187 VanDerWaalsContact O-CG 3.28Å; N183-E187 WeakPolarHBondContact O-CG 3.38Å; N183-E187 PolarHBondContact O-N 2.84Å; V185-E187 VanDerWaalsContact C-N 3.29Å; V185-E187 PolarHBondContact O-N 2.73Å; E187-F189 PolarHBondContact O-N 3.17Å; E187-N191 WeakPolarHBondContact O-CA 3.4Å; E187-N191 WeakPolarHBondContact O-CB 3.48Å; E187-N191 PolarHBondContact O-N 3.23Å; E187-N199 PolarHBondContact OE2-ND2 3.39Å
188	A	93.9	Very high	85.7	Confident	1 Å²	1	27.3 Å²	27.3	1%	0.008	13%	0.131	C	C	.	.	H	α-helix	trans	-60.7	-43.7	177.6	0	0	0	0	0	112.5	P184 V185 H243 I244 Q247 V292	P184-A188 WeakPolarHBondContact O-CB 3.39Å; P184-A188 PolarHBondContact O-N 3.38Å; V185-A188 PolarHBondContact O-N 3.16Å; A188-H243 PolarHBondContact O-N 3.11Å; A188-I244 HydrophobicContact CB-CB 4.33Å; A188-I244 HydrophobicContact CB-CD1 4.34Å; A188-I244 WeakPolarHBondContact O-CB 3.45Å; A188-I244 PolarHBondContact O-N 3.49Å; A188-Q247 VanDerWaalsContact CB-OE1 3.32Å; A188-V292 HydrophobicContact CB-CG1 4.37Å; A188-V292 HydrophobicContact CB-CG2 3.67Å
189	F	94.6	Very high	85.6	Confident	3 Å²	3	26.8 Å²	26.8	1%	0.013	13%	0.133	C	C	.	.	H	α-helix	trans	-91.7	-20.5	-176.3	-72.3	-105	0	0	0	114.1	V185 E187 F242 I244 L309 I313 Y390 F394 L397	V185-F189 HydrophobicContact CG1-CD2 4.35Å; V185-F189 HydrophobicContact CG1-CE2 4.41Å; V185-F189 WeakPolarHBondContact O-CD2 3.34Å; V185-F189 PolarHBondContact O-N 2.99Å; E187-F189 PolarHBondContact O-N 3.17Å; F189-F242 VanDerWaalsContact O-CD1 3.24Å; F189-F242 WeakPolarHBondContact O-CD1 3.38Å; F189-F242 WeakPolarHBondContact O-CG 3.49Å; F189-I244 HydrophobicContact CD1-CG1 4.39Å; F189-I244 HydrophobicContact CD1-CG2 4.16Å; F189-I244 HydrophobicContact CD2-CB 4.32Å; F189-I244 HydrophobicContact CD2-CD1 4.32Å; F189-I244 HydrophobicContact CD2-CG1 4.21Å; F189-I244 HydrophobicContact CE1-CG1 4Å; F189-I244 HydrophobicContact CE1-CG2 4.46Å; F189-I244 HydrophobicContact CE2-CB 4.41Å; F189-I244 HydrophobicContact CE2-CD1 3.68Å; F189-I244 HydrophobicContact CE2-CG1 3.8Å; F189-I244 HydrophobicContact CG-CB 4.39Å; F189-I244 HydrophobicContact CG-CG1 4.5Å; F189-I244 HydrophobicContact CG-CG2 4.31Å; F189-I244 HydrophobicContact CZ-CD1 3.89Å; F189-I244 HydrophobicContact CZ-CG1 3.69Å; F189-L309 HydrophobicContact CE1-CD1 4.18Å; F189-L309 HydrophobicContact CE1-CD2 4.4Å; F189-L309 HydrophobicContact CE1-CG 4.42Å; F189-L309 HydrophobicContact CZ-CD1 4.4Å; F189-L309 HydrophobicContact CZ-CD2 3.81Å; F189-L309 HydrophobicContact CZ-CG 4.19Å; F189-I313 HydrophobicContact CD1-CD1 4.26Å; F189-I313 HydrophobicContact CE1-CD1 3.78Å; F189-I313 HydrophobicContact CE1-CG1 3.81Å; F189-Y390 WeakPolarHBondContact CA-OH 3.45Å; F189-Y390 PolarHBondContact O-OH 3.49Å; F189-F394 HydrophobicContact CB-CD2 3.7Å; F189-F394 HydrophobicContact CB-CE2 3.87Å; F189-L397 HydrophobicContact CB-CD2 4.15Å; F189-L397 HydrophobicContact CD1-CD2 4.08Å; F189-L397 HydrophobicContact CD2-CD2 3.78Å; F189-L397 HydrophobicContact CE1-CD2 4.4Å; F189-L397 HydrophobicContact CE2-CD2 4.14Å; F189-L397 HydrophobicContact CG-CD2 3.75Å; F189-L397 HydrophobicContact CZ-CD2 4.43Å
190	G	90.8	Very high	85.5	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-116	-10.9	-173.2	0	0	0	0	0	114.9	L186 R202 F203	L186-G190 VanDerWaalsContact O-CA 3.29Å; L186-G190 WeakPolarHBondContact O-CA 3.49Å; L186-G190 PolarHBondContact O-N 3.44Å; G190-R202 PolarHBondContact O-N 2.85Å; G190-F203 WeakPolarHBondContact O-CD1 3.09Å
191	N	89.9	Confident	85.6	Confident	2 Å²	2	25.8 Å²	25.8	1%	0.011	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	152.3	178.9	-60.1	16.6	0	0	0	112.1	E187 N199 S200 S201 F242 H243	E187-N191 WeakPolarHBondContact O-CA 3.4Å; E187-N191 WeakPolarHBondContact O-CB 3.48Å; E187-N191 PolarHBondContact O-N 3.23Å; N191-N199 WeakPolarHBondContact CB-OD1 3.41Å; N191-N199 PolarHBondContact ND2-OD1 2.94Å; N191-S200 VanDerWaalsContact CA-O 3.29Å; N191-S200 WeakPolarHBondContact CA-O 3.43Å; N191-S200 WeakPolarHBondContact CB-O 3.48Å; N191-S201 VanDerWaalsContact OD1-CA 3.32Å; N191-S201 WeakPolarHBondContact OD1-CA 3.47Å; N191-F242 WeakPolarHBondContact O-CA 3.48Å; N191-H243 PolarHBondContact O-CD2 2.6Å; N191-H243 VanDerWaalsContact O-CD2 3.26Å; N191-H243 PolarHBondContact O-N 3.21Å; N191-H243 VanDerWaalsContact O-N 3.14Å
192	A	89	Confident	85.5	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	164.5	177.8	0	0	0	0	0	111.3	S200 R202 N241 F242	A192-S200 PolarHBondContact N-O 2.62Å; A192-S200 WeakPolarHBondContact O-CB 3.4Å; A192-S200 PolarHBondContact O-N 2.82Å; A192-R202 HydrophobicContact CB-CG 4.24Å; A192-N241 WeakPolarHBondContact CB-O 3.43Å; A192-F242 HydrophobicContact CB-CD1 4.48Å
193	K	86.1	Confident	85.3	Confident	31 Å²	31	23.5 Å²	23.5	14%	0.135	12%	0.119	C	C	.	.			trans	-82.9	122.3	172.8	-174.8	-123.5	-179.4	-175.8	0	109.8	D198 G238 E239 R240 C277 V280	K193-D198 VanDerWaalsContact CA-O 3.28Å; K193-D198 WeakPolarHBondContact CA-O 3.34Å; K193-D198 WeakPolarHBondContact CB-O 3.49Å; K193-D198 HydrophobicContact CG-CB 4.31Å; K193-G238 PolarHBondContact NZ-O 3Å; K193-E239 WeakPolarHBondContact O-CA 3.35Å; K193-E239 WeakPolarHBondContact O-CB 3.26Å; K193-R240 HydrophobicContact CB-CB 3.96Å; K193-R240 HydrophobicContact CB-CG 4Å; K193-R240 HydrophobicContact CD-CG 4.07Å; K193-R240 PolarHBondContact O-N 3.42Å; K193-C277 PolarHBondContact NZ-SG 3.4Å; K193-V280 HydrophobicContact CD-CG2 3.74Å; K193-V280 HydrophobicContact CG-CG2 4.13Å
194	T	79.9	Confident	85	Confident	4 Å²	4	23 Å²	23	3%	0.025	12%	0.116	C	C	.	.			trans	-109.3	176.5	171.3	66.8	0	0	0	0	110.3	R196 N197 E239	T194-R196 PolarHBondContact O-N 3.21Å; T194-N197 PolarHBondContact N-O 3.07Å; T194-N197 PolarHBondContact OG1-N 2.87Å; T194-N197 PolarHBondContact OG1-O 3.41Å; T194-E239 WeakPolarHBondContact CA-OE1 3.38Å; T194-E239 WeakPolarHBondContact CB-OE1 3.41Å
195	L	74.4	Confident	84.7	Confident	128 Å²	128	22 Å²	22	67%	0.67	11%	0.109	S	C	*	.	S	Bend	trans	-60.8	-28.4	175.6	-68.2	172.9	0	0	0	113.3	E239	L195-E239 HydrophobicContact CG-CG 4.36Å
196	R	68.5	Low	84.5	Confident	84 Å²	84	22 Å²	22	32%	0.317	11%	0.109	S	C	.	.	S	Bend	trans	-99.3	-25.3	-173.9	-66.3	-169.3	179.3	177.3	4	114.3	T194 V428 K628	T194-R196 PolarHBondContact O-N 3.21Å; R196-V428 PolarHBondContact NH2-O 2.8Å; R196-K628 PolarHBondContact O-NZ 3.41Å
197	N	74.7	Confident	84.4	Confident	29 Å²	29	22 Å²	22	16%	0.155	11%	0.109	C	C	.	.			trans	-147.6	136.8	-174.1	-178.6	14.4	0	0	0	110.6	S147 G148 T194 N199 S200	S147-N197 VanDerWaalsContact OG-CB 3.3Å; S147-N197 WeakPolarHBondContact OG-CB 3.33Å; S147-N197 PolarHBondContact OG-ND2 3.36Å; S147-N197 VanDerWaalsContact OG-ND2 3.12Å; G148-N197 PolarHBondContact N-ND2 3.31Å; T194-N197 PolarHBondContact N-O 3.07Å; T194-N197 PolarHBondContact OG1-N 2.87Å; T194-N197 PolarHBondContact OG1-O 3.41Å; N197-N199 PolarHBondContact ND2-O 2.99Å; N197-N199 PolarHBondContact OD1-N 3.43Å; N197-S200 WeakPolarHBondContact ND2-CA 3.3Å
198	D	80.9	Confident	84.4	Confident	29 Å²	29	20.9 Å²	20.9	16%	0.155	10%	0.104	C	C	.	.	S	Bend	trans	-80.1	-24.6	-177.4	-58	-24.9	0	0	0	112.8	K193 H243 V280 S282 I283 K633	K193-D198 VanDerWaalsContact CA-O 3.28Å; K193-D198 WeakPolarHBondContact CA-O 3.34Å; K193-D198 WeakPolarHBondContact CB-O 3.49Å; K193-D198 HydrophobicContact CG-CB 4.31Å; D198-H243 PolarHBondContact O-CE1 2.91Å; D198-H243 VanDerWaalsContact O-CE1 3.28Å; D198-V280 HydrophobicContact CB-CG1 4.46Å; D198-S282 VanDerWaalsContact CG-OG 3.27Å; D198-S282 PolarHBondContact OD2-OG 3.05Å; D198-I283 HydrophobicContact CB-CD1 3.88Å; D198-I283 HydrophobicContact CB-CG1 4.38Å; D198-I283 WeakPolarHBondContact O-CD1 3.39Å; D198-K633 IonicContact OD1-NZ 3.82Å; D198-K633 PolarHBondContact OD1-NZ 3.14Å; D198-K633 IonicContact OD2-NZ 2.66Å; D198-K633 PolarHBondContact OD2-NZ 3.18Å
199	N	82.1	Confident	84.2	Confident	59 Å²	59	21.1 Å²	21.1	32%	0.316	11%	0.105	S	C	.	.	S	Bend	trans	-128.5	69.3	178.2	-172.7	15.9	0	0	0	109	E187 N191 N197 H243	E187-N199 PolarHBondContact OE2-ND2 3.39Å; N191-N199 WeakPolarHBondContact CB-OD1 3.41Å; N191-N199 PolarHBondContact ND2-OD1 2.94Å; N197-N199 PolarHBondContact ND2-O 2.99Å; N197-N199 PolarHBondContact OD1-N 3.43Å; N199-H243 PolarHBondContact OD1-NE2 3.45Å
200	S	81.2	Confident	83.9	Confident	2 Å²	2	23.7 Å²	23.7	1%	0.014	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	121.3	-178.9	-168.5	0	0	0	0	110.4	S147 N191 A192 N197 R202	S147-S200 WeakPolarHBondContact OG-CB 3.28Å; S147-S200 PolarHBondContact OG-OG 3.13Å; N191-S200 VanDerWaalsContact CA-O 3.29Å; N191-S200 WeakPolarHBondContact CA-O 3.43Å; N191-S200 WeakPolarHBondContact CB-O 3.48Å; A192-S200 PolarHBondContact N-O 2.62Å; A192-S200 WeakPolarHBondContact O-CB 3.4Å; A192-S200 PolarHBondContact O-N 2.82Å; N197-S200 WeakPolarHBondContact ND2-CA 3.3Å; S200-R202 WeakPolarHBondContact O-CG 3.39Å; S200-R202 PolarHBondContact O-N 3.28Å
201	S	83.3	Confident	83.6	Confident	22 Å²	22	23.7 Å²	23.7	15%	0.154	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	122.4	169	-43.3	0	0	0	0	110.2	N191	N191-S201 VanDerWaalsContact OD1-CA 3.32Å; N191-S201 WeakPolarHBondContact OD1-CA 3.47Å
202	R	84.9	Confident	83.4	Confident	6 Å²	6	25.4 Å²	25.4	2%	0.023	13%	0.126	C	C	.	.			trans	-109.3	28.5	177	-51.4	-53.5	-63.7	170	-2.6	111.6	G190 A192 S200 L226 E228 F242 E427	G190-R202 PolarHBondContact O-N 2.85Å; A192-R202 HydrophobicContact CB-CG 4.24Å; S200-R202 WeakPolarHBondContact O-CG 3.39Å; S200-R202 PolarHBondContact O-N 3.28Å; R202-L226 VanDerWaalsContact O-O 3.13Å; R202-E228 HydrophobicContact CB-CB 3.93Å; R202-E228 WeakPolarHBondContact CG-OE2 3.33Å; R202-E228 IonicContact CZ-OE1 3.49Å; R202-E228 IonicContact CZ-OE2 3.04Å; R202-E228 IonicContact NE-OE1 3.59Å; R202-E228 IonicContact NE-OE2 3.46Å; R202-E228 PolarHBondContact NE-OE2 3.08Å; R202-E228 VanDerWaalsContact NH2-CD 3.35Å; R202-E228 IonicContact NH2-OE1 2.8Å; R202-E228 PolarHBondContact NH2-OE1 3.36Å; R202-E228 IonicContact NH2-OE2 2.74Å; R202-E228 PolarHBondContact NH2-OE2 3.31Å; R202-E228 PolarHBondContact O-N 3.14Å; R202-F242 HydrophobicContact CB-CE1 4.12Å; R202-E427 IonicContact CZ-OE1 3.95Å; R202-E427 IonicContact NH1-OE1 2.74Å; R202-E427 PolarHBondContact NH1-OE1 3.31Å; R202-E427 IonicContact NH1-OE2 3.09Å; R202-E427 IonicContact NH2-OE2 3.93Å
203	F	85.1	Confident	82.9	Confident	6 Å²	6	32.6 Å²	32.6	3%	0.026	16%	0.158	C	C	.	.	S	Bend	trans	-150.3	152	169.6	73.4	-72.2	0	0	0	109	L186 G190 K205 N224 Y225 L226 L227 F394	L186-F203 HydrophobicContact CB-CZ 3.97Å; G190-F203 WeakPolarHBondContact O-CD1 3.09Å; F203-K205 HydrophobicContact CD2-CB 4.38Å; F203-K205 HydrophobicContact CE2-CB 3.77Å; F203-K205 HydrophobicContact CE2-CD 4.36Å; F203-K205 HydrophobicContact CE2-CG 4.22Å; F203-K205 HydrophobicContact CZ-CB 4.42Å; F203-K205 HydrophobicContact CZ-CD 4.5Å; F203-N224 HydrophobicContact CD2-CB 4.08Å; F203-Y225 CarbonylContact C-O 3.6Å; F203-Y225 WeakPolarHBondContact CA-O 3.38Å; F203-L226 VanDerWaalsContact CA-O 3.31Å; F203-L226 WeakPolarHBondContact CA-O 3.33Å; F203-L227 HydrophobicContact CB-CB 4.48Å; F203-L227 HydrophobicContact CB-CD1 4.18Å; F203-F394 HydrophobicContact CD1-CZ 4.12Å; F203-F394 HydrophobicContact CD2-CE1 4.07Å; F203-F394 AromaticContact CD2-CZ 3.87Å; F203-F394 HydrophobicContact CD2-CZ 3.87Å; F203-F394 HydrophobicContact CE1-CZ 4.2Å; F203-F394 AromaticContact CE2-CZ 3.94Å; F203-F394 HydrophobicContact CE2-CZ 3.94Å; F203-F394 HydrophobicContact CG-CE1 4.21Å; F203-F394 AromaticContact CG-CZ 3.98Å; F203-F394 HydrophobicContact CG-CZ 3.98Å; F203-F394 HydrophobicContact CZ-CZ 4.13Å
204	G	81.2	Confident	82.5	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	138.3	168.5	0	0	0	0	0	110.4	N224 Y225	G204-N224 CarbonylContact O-C 3.59Å; G204-N224 WeakPolarHBondContact O-CA 3.46Å; G204-Y225 PolarHBondContact N-O 3.15Å; G204-Y225 PolarHBondContact O-N 3.04Å
205	K	85.6	Confident	82.4	Confident	11 Å²	11	38.9 Å²	38.9	5%	0.048	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	118	-179.6	-175.2	179.2	66.8	-169.9	0	109.6	N183 L186 F203 M207 I222 D422	N183-K205 PolarHBondContact OD1-NZ 3.44Å; L186-K205 HydrophobicContact CD1-CD 3.86Å; F203-K205 HydrophobicContact CD2-CB 4.38Å; F203-K205 HydrophobicContact CE2-CB 3.77Å; F203-K205 HydrophobicContact CE2-CD 4.36Å; F203-K205 HydrophobicContact CE2-CG 4.22Å; F203-K205 HydrophobicContact CZ-CB 4.42Å; F203-K205 HydrophobicContact CZ-CD 4.5Å; K205-M207 HydrophobicContact CD-CE 4.36Å; K205-I222 HydrophobicContact CD-CG2 4.46Å; K205-I222 HydrophobicContact CG-CG2 3.99Å; K205-D422 PolarHBondContact N-O 3.19Å; K205-D422 PolarHBondContact O-N 3.3Å
206	Y	88	Confident	82.8	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	132.2	165.2	-177.3	-111.8	0	0	0	109	D208 I222 I223 L420 L421 L612 I615 L616 K619	Y206-D208 VanDerWaalsContact CE1-CG 3.44Å; Y206-D208 WeakPolarHBondContact CE1-OD1 3.47Å; Y206-D208 WeakPolarHBondContact CE1-OD2 3.29Å; Y206-D208 PolarHBondContact OH-OD1 3.15Å; Y206-I222 CarbonylContact O-C 3.49Å; Y206-I222 WeakPolarHBondContact O-CA 3.33Å; Y206-I223 HydrophobicContact CD1-CD1 3.97Å; Y206-I223 HydrophobicContact CD1-CG1 4.28Å; Y206-I223 PolarHBondContact N-O 3.47Å; Y206-I223 PolarHBondContact O-N 2.86Å; Y206-L420 CarbonylContact C-O 3.54Å; Y206-L420 WeakPolarHBondContact CA-O 3.46Å; Y206-L421 HydrophobicContact CD2-CB 4.03Å; Y206-L421 HydrophobicContact CD2-CD1 4.01Å; Y206-L421 HydrophobicContact CG-CD1 4.49Å; Y206-L612 HydrophobicContact CD2-CD1 4.34Å; Y206-L612 HydrophobicContact CG-CD1 4.3Å; Y206-I615 HydrophobicContact CE1-CG2 3.64Å; Y206-I615 VanDerWaalsContact OH-CG2 3.3Å; Y206-I615 WeakPolarHBondContact OH-CG2 3.17Å; Y206-L616 HydrophobicContact CE2-CD2 4.11Å; Y206-K619 WeakPolarHBondContact OH-CE 2.94Å; Y206-K619 PolarHBondContact OH-NZ 3.32Å
207	M	88.8	Confident	83.5	Confident	1 Å²	1	30 Å²	30	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	113.7	-178.4	-180	-176.6	-68.6	0	0	109.7	L159 L179 K205 H221 I222 G419 L420	L159-M207 HydrophobicContact CD1-CE 4.43Å; L159-M207 HydrophobicContact CD1-SD 3.72Å; L159-M207 HydrophobicContact CD2-SD 4.08Å; L179-M207 HydrophobicContact CD1-SD 4.23Å; L179-M207 HydrophobicContact CD2-CE 4.41Å; L179-M207 HydrophobicContact CD2-SD 3.51Å; L179-M207 VanDerWaalsContact CD2-SD 3.51Å; L179-M207 HydrophobicContact CG-SD 3.89Å; K205-M207 HydrophobicContact CD-CE 4.36Å; M207-H221 CarbonylContact C-O 3.56Å; M207-H221 WeakPolarHBondContact CA-O 3.3Å; M207-I222 HydrophobicContact CE-CD1 3.83Å; M207-I222 HydrophobicContact CE-CG1 4Å; M207-I222 HydrophobicContact CG-CG1 4.15Å; M207-G419 CarbonylContact O-C 3.54Å; M207-G419 WeakPolarHBondContact O-CA 3.39Å; M207-L420 PolarHBondContact N-O 3.37Å; M207-L420 PolarHBondContact O-N 3.01Å
208	D	89.4	Confident	83.8	Confident	20 Å²	20	28.9 Å²	28.9	11%	0.107	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	125.6	170	-78.3	-30.2	0	0	0	109.6	Y206 G220 H221 V417 G419 K619	Y206-D208 VanDerWaalsContact CE1-CG 3.44Å; Y206-D208 WeakPolarHBondContact CE1-OD1 3.47Å; Y206-D208 WeakPolarHBondContact CE1-OD2 3.29Å; Y206-D208 PolarHBondContact OH-OD1 3.15Å; D208-G220 CarbonylContact O-C 3.52Å; D208-G220 WeakPolarHBondContact O-CA 3.38Å; D208-H221 HydrophobicContact CB-CB 4.33Å; D208-H221 PolarHBondContact N-O 3.2Å; D208-H221 PolarHBondContact O-N 3.16Å; D208-V417 HydrophobicContact CB-CG1 3.53Å; D208-V417 VanDerWaalsContact CG-CG1 3.43Å; D208-V417 VanDerWaalsContact OD1-CG1 3.25Å; D208-V417 WeakPolarHBondContact OD1-CG1 3.43Å; D208-G419 WeakPolarHBondContact OD1-CA 3.5Å; D208-K619 IonicContact OD1-NZ 3.32Å
209	V	89.1	Confident	84	Confident	7 Å²	7	27.6 Å²	27.6	4%	0.042	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	118.7	166.9	-172.9	0	0	0	0	107.4	L159 L179 F211 P217 V417 I418	L159-V209 HydrophobicContact CD2-CG2 3.73Å; L179-V209 HydrophobicContact CD1-CG2 4.18Å; V209-F211 HydrophobicContact CB-CE2 3.79Å; V209-F211 HydrophobicContact CB-CZ 4.2Å; V209-F211 HydrophobicContact CG1-CD2 4.38Å; V209-F211 HydrophobicContact CG1-CE1 4.41Å; V209-F211 HydrophobicContact CG1-CE2 3.59Å; V209-F211 HydrophobicContact CG1-CZ 3.61Å; V209-F211 VanDerWaalsContact O-CD2 3.28Å; V209-F211 WeakPolarHBondContact O-CD2 3.49Å; V209-F211 VanDerWaalsContact O-CE2 3.32Å; V209-F211 WeakPolarHBondContact O-CE2 3.34Å; V209-P217 HydrophobicContact CG1-CB 4.16Å; V209-V417 WeakPolarHBondContact O-CA 3.44Å; V209-I418 PolarHBondContact N-O 2.68Å; V209-I418 PolarHBondContact O-N 2.73Å
210	Q	88.4	Confident	84.2	Confident	57 Å²	57	24.9 Å²	24.9	27%	0.266	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	133.5	-177.4	-63.9	175.3	-25.2	0	0	110.2	P217 V218 G219 A415 V417	Q210-P217 CarbonylContact O-C 3.53Å; Q210-P217 WeakPolarHBondContact O-CA 3.31Å; Q210-V218 HydrophobicContact CB-CG2 4.36Å; Q210-V218 PolarHBondContact O-N 3.17Å; Q210-G219 PolarHBondContact N-O 3.14Å; Q210-G219 PolarHBondContact O-N 3.19Å; Q210-A415 HydrophobicContact CB-CB 4.46Å; Q210-V417 HydrophobicContact CG-CG2 4.26Å
211	F	86.3	Confident	84.6	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	138.4	-179.9	-63.8	-94.2	0	0	0	110.9	Y129 M132 Y162 V209 A216 P217 A415 S416 I418	Y129-F211 HydrophobicContact CD2-CD1 4.47Å; Y129-F211 HydrophobicContact CD2-CE1 4.15Å; Y129-F211 HydrophobicContact CE2-CD1 4.08Å; Y129-F211 HydrophobicContact CE2-CE1 4.05Å; M132-F211 HydrophobicContact CE-CB 3.71Å; M132-F211 HydrophobicContact CE-CD1 4.07Å; M132-F211 HydrophobicContact CE-CD2 3.82Å; M132-F211 HydrophobicContact CE-CE2 4.46Å; M132-F211 HydrophobicContact CE-CG 3.59Å; M132-F211 HydrophobicContact SD-CB 3.98Å; M132-F211 HydrophobicContact SD-CD2 3.51Å; M132-F211 VanDerWaalsContact SD-CD2 3.51Å; M132-F211 HydrophobicContact SD-CE2 4.2Å; M132-F211 HydrophobicContact SD-CG 3.86Å; Y162-F211 HydrophobicContact CD2-CZ 4.45Å; Y162-F211 HydrophobicContact CG-CZ 4.35Å; V209-F211 HydrophobicContact CB-CE2 3.79Å; V209-F211 HydrophobicContact CB-CZ 4.2Å; V209-F211 HydrophobicContact CG1-CD2 4.38Å; V209-F211 HydrophobicContact CG1-CE1 4.41Å; V209-F211 HydrophobicContact CG1-CE2 3.59Å; V209-F211 HydrophobicContact CG1-CZ 3.61Å; V209-F211 VanDerWaalsContact O-CD2 3.28Å; V209-F211 WeakPolarHBondContact O-CD2 3.49Å; V209-F211 VanDerWaalsContact O-CE2 3.32Å; V209-F211 WeakPolarHBondContact O-CE2 3.34Å; F211-A216 VanDerWaalsContact CA-O 3.29Å; F211-A216 WeakPolarHBondContact CA-O 3.33Å; F211-P217 HydrophobicContact CD1-CB 4.19Å; F211-P217 HydrophobicContact CE1-CB 3.92Å; F211-A415 WeakPolarHBondContact O-CA 3.24Å; F211-A415 WeakPolarHBondContact O-CB 3.35Å; F211-S416 PolarHBondContact N-O 3.01Å; F211-S416 PolarHBondContact O-N 2.79Å; F211-S416 VanDerWaalsContact O-N 3.1Å; F211-I418 HydrophobicContact CD2-CD1 4.3Å; F211-I418 HydrophobicContact CD2-CG1 4.02Å; F211-I418 HydrophobicContact CE2-CB 3.83Å; F211-I418 HydrophobicContact CE2-CD1 3.61Å; F211-I418 HydrophobicContact CE2-CG1 3.53Å; F211-I418 HydrophobicContact CZ-CD1 3.92Å; F211-I418 HydrophobicContact CZ-CG1 4.34Å
212	D	83.8	Confident	84.9	Confident	37 Å²	37	27.3 Å²	27.3	20%	0.198	13%	0.129	C	C	.	.			trans	-71.9	173.1	170.7	75	2.1	0	0	0	111.6	K214 G215 A216 V218	D212-K214 PolarHBondContact O-N 3.26Å; D212-K214 VanDerWaalsContact O-N 3.13Å; D212-K214 VanDerWaalsContact OD1-C 3.29Å; D212-K214 VanDerWaalsContact OD1-CA 3.29Å; D212-K214 WeakPolarHBondContact OD1-CA 3.48Å; D212-K214 WeakPolarHBondContact OD1-CB 3.41Å; D212-K214 PolarHBondContact OD1-N 2.92Å; D212-G215 PolarHBondContact O-N 2.77Å; D212-G215 PolarHBondContact OD1-N 3.04Å; D212-A216 PolarHBondContact N-O 2.73Å; D212-A216 PolarHBondContact OD1-N 3.34Å; D212-V218 HydrophobicContact CB-CG1 3.76Å; D212-V218 HydrophobicContact CB-CG2 4.38Å
213	F	78.4	Confident	85	Confident	151 Å²	151	28.6 Å²	28.6	66%	0.662	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-23.5	175.6	170.8	-103.4	0	0	0	113.6	G215	F213-G215 VanDerWaalsContact C-N 3.33Å
214	K	78.1	Confident	85.1	Confident	166 Å²	166	29.9 Å²	29.9	72%	0.722	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-11	177.1	-61.5	176.9	-179.3	172.4	0	112.2	D212	D212-K214 PolarHBondContact O-N 3.26Å; D212-K214 VanDerWaalsContact O-N 3.13Å; D212-K214 VanDerWaalsContact OD1-C 3.29Å; D212-K214 VanDerWaalsContact OD1-CA 3.29Å; D212-K214 WeakPolarHBondContact OD1-CA 3.48Å; D212-K214 WeakPolarHBondContact OD1-CB 3.41Å; D212-K214 PolarHBondContact OD1-N 2.92Å
215	G	77.9	Confident	84.9	Confident	2 Å²	2	30.6 Å²	30.6	2%	0.021	15%	0.146	C	C	.	.	S	Bend	trans	87.1	16.9	-176.9	0	0	0	0	0	114.5	Y129 D212 F213	Y129-G215 WeakPolarHBondContact CE2-O 3.44Å; Y129-G215 PolarHBondContact OH-O 3.44Å; D212-G215 PolarHBondContact O-N 2.77Å; D212-G215 PolarHBondContact OD1-N 3.04Å; F213-G215 VanDerWaalsContact C-N 3.33Å
216	A	82.9	Confident	84.4	Confident	9 Å²	9	32.7 Å²	32.7	7%	0.074	16%	0.158	C	C	.	.			trans	-85.2	138.1	173.2	0	0	0	0	0	110.9	P167 V172 F211 D212 V218	P167-A216 HydrophobicContact CG-CB 4.37Å; P167-A216 VanDerWaalsContact O-CB 3.25Å; P167-A216 WeakPolarHBondContact O-CB 3.47Å; V172-A216 HydrophobicContact CG2-CB 4.32Å; F211-A216 VanDerWaalsContact CA-O 3.29Å; F211-A216 WeakPolarHBondContact CA-O 3.33Å; D212-A216 PolarHBondContact N-O 2.73Å; D212-A216 PolarHBondContact OD1-N 3.34Å; A216-V218 PolarHBondContact O-N 3.23Å
217	P	83.2	Confident	84.2	Confident	15 Å²	15	33.8 Å²	33.8	10%	0.097	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	109.2	177.2	27.5	-31.3	0	0	0	110.1	C166 V172 V209 Q210 F211	C166-P217 HydrophobicContact CB-CG 4.33Å; V172-P217 HydrophobicContact CG1-CG 3.78Å; V172-P217 WeakPolarHBondContact CG1-O 3.35Å; V172-P217 WeakPolarHBondContact CG2-O 3.38Å; V209-P217 HydrophobicContact CG1-CB 4.16Å; Q210-P217 CarbonylContact O-C 3.53Å; Q210-P217 WeakPolarHBondContact O-CA 3.31Å; F211-P217 HydrophobicContact CD1-CB 4.19Å; F211-P217 HydrophobicContact CE1-CB 3.92Å
218	V	81.6	Confident	83.9	Confident	7 Å²	7	35 Å²	35	4%	0.042	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-23.2	-171.7	-72.8	0	0	0	0	114	V172 Q210 D212 A216 Y407	V172-V218 HydrophobicContact CG2-CG1 4.33Å; Q210-V218 HydrophobicContact CB-CG2 4.36Å; Q210-V218 PolarHBondContact O-N 3.17Å; D212-V218 HydrophobicContact CB-CG1 3.76Å; D212-V218 HydrophobicContact CB-CG2 4.38Å; A216-V218 PolarHBondContact O-N 3.23Å; V218-Y407 HydrophobicContact CB-CD2 3.64Å; V218-Y407 HydrophobicContact CB-CE2 3.67Å; V218-Y407 HydrophobicContact CB-CG 4.14Å; V218-Y407 HydrophobicContact CG1-CD2 4.42Å; V218-Y407 HydrophobicContact CG1-CE2 3.94Å; V218-Y407 HydrophobicContact CG2-CD2 4.38Å; V218-Y407 HydrophobicContact CG2-CG 4.39Å; V218-Y407 VanDerWaalsContact O-CD2 3.23Å; V218-Y407 WeakPolarHBondContact O-CD2 3.45Å
219	G	85.1	Confident	83.7	Confident	1 Å²	1	37 Å²	37	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	176.9	-175.3	0	0	0	0	0	112.1	Q210 L405	Q210-G219 PolarHBondContact N-O 3.14Å; Q210-G219 PolarHBondContact O-N 3.19Å; G219-L405 WeakPolarHBondContact CA-O 3.37Å
220	G	86.9	Confident	83.3	Confident	2 Å²	2	38.1 Å²	38.1	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	161.3	170.9	0	0	0	0	0	112.9	D208 L405	D208-G220 CarbonylContact O-C 3.52Å; D208-G220 WeakPolarHBondContact O-CA 3.38Å; G220-L405 PolarHBondContact N-O 3.45Å; G220-L405 VanDerWaalsContact N-O 3.16Å; G220-L405 VanDerWaalsContact O-CB 3.25Å; G220-L405 WeakPolarHBondContact O-CB 3.36Å
221	H	89.1	Confident	83.2	Confident	73 Å²	73	35.8 Å²	35.8	34%	0.338	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	129.6	178.8	-177.5	-102.8	0	0	0	110.1	M207 D208 I223	M207-H221 CarbonylContact C-O 3.56Å; M207-H221 WeakPolarHBondContact CA-O 3.3Å; D208-H221 HydrophobicContact CB-CB 4.33Å; D208-H221 PolarHBondContact N-O 3.2Å; D208-H221 PolarHBondContact O-N 3.16Å; H221-I223 VanDerWaalsContact CE1-CG1 3.43Å; H221-I223 WeakPolarHBondContact CE1-CG1 3.49Å
222	I	89.6	Confident	83.4	Confident	2 Å²	2	35.8 Å²	35.8	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.1	-177.4	-56.5	174.5	0	0	0	108.5	L186 K205 Y206 M207 V398 I401 N402 L405	L186-I222 HydrophobicContact CD1-CD1 4.05Å; L186-I222 HydrophobicContact CD1-CG2 4.24Å; K205-I222 HydrophobicContact CD-CG2 4.46Å; K205-I222 HydrophobicContact CG-CG2 3.99Å; Y206-I222 CarbonylContact O-C 3.49Å; Y206-I222 WeakPolarHBondContact O-CA 3.33Å; M207-I222 HydrophobicContact CE-CD1 3.83Å; M207-I222 HydrophobicContact CE-CG1 4Å; M207-I222 HydrophobicContact CG-CG1 4.15Å; I222-V398 HydrophobicContact CB-CG1 4.32Å; I222-V398 HydrophobicContact CG2-CG1 4.2Å; I222-I401 HydrophobicContact CD1-CG2 3.85Å; I222-N402 WeakPolarHBondContact CB-OD1 3.21Å; I222-N402 PolarHBondContact N-OD1 2.83Å; I222-N402 PolarHBondContact O-ND2 3.23Å; I222-N402 PolarHBondContact O-OD1 3.27Å; I222-L405 HydrophobicContact CD1-CD1 3.93Å; I222-L405 HydrophobicContact CG1-CD1 4.17Å
223	I	86.9	Confident	83.6	Confident	34 Å²	34	34.5 Å²	34.5	17%	0.174	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	120.4	172.1	-47.6	178.8	0	0	0	107.9	Y206 H221 Y225 I615	Y206-I223 HydrophobicContact CD1-CD1 3.97Å; Y206-I223 HydrophobicContact CD1-CG1 4.28Å; Y206-I223 PolarHBondContact N-O 3.47Å; Y206-I223 PolarHBondContact O-N 2.86Å; H221-I223 VanDerWaalsContact CE1-CG1 3.43Å; H221-I223 WeakPolarHBondContact CE1-CG1 3.49Å; I223-Y225 HydrophobicContact CB-CE2 3.81Å; I223-Y225 HydrophobicContact CG2-CD2 4.31Å; I223-Y225 HydrophobicContact CG2-CE1 3.9Å; I223-Y225 HydrophobicContact CG2-CE2 3.57Å; I223-Y225 WeakPolarHBondContact CG2-OH 3.47Å; I223-I615 HydrophobicContact CD1-CD1 4Å
224	N	86.6	Confident	83.9	Confident	33 Å²	33	32.3 Å²	32.3	18%	0.176	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	142.9	172.7	63.1	-62.1	0	0	0	110.7	F203 G204 F394 V398	F203-N224 HydrophobicContact CD2-CB 4.08Å; G204-N224 CarbonylContact O-C 3.59Å; G204-N224 WeakPolarHBondContact O-CA 3.46Å; N224-F394 HydrophobicContact CB-CE1 3.99Å; N224-V398 HydrophobicContact CB-CG2 4.19Å
225	Y	78.1	Confident	84.1	Confident	15 Å²	15	24.7 Å²	24.7	6%	0.059	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	141.6	177.8	-59.8	-84.7	0	0	0	109.5	F203 G204 I223 L227 L612	F203-Y225 CarbonylContact C-O 3.6Å; F203-Y225 WeakPolarHBondContact CA-O 3.38Å; G204-Y225 PolarHBondContact N-O 3.15Å; G204-Y225 PolarHBondContact O-N 3.04Å; I223-Y225 HydrophobicContact CB-CE2 3.81Å; I223-Y225 HydrophobicContact CG2-CD2 4.31Å; I223-Y225 HydrophobicContact CG2-CE1 3.9Å; I223-Y225 HydrophobicContact CG2-CE2 3.57Å; I223-Y225 WeakPolarHBondContact CG2-OH 3.47Å; Y225-L227 PolarHBondContact O-N 2.88Å; Y225-L612 HydrophobicContact CE1-CB 4.01Å; Y225-L612 HydrophobicContact CE2-CD1 3.98Å; Y225-L612 HydrophobicContact CE2-CD2 4.28Å
226	L	73.8	Confident	84.2	Confident	55 Å²	55	28.7 Å²	28.7	29%	0.288	15%	0.146	S	C	.	.			trans	44.7	67.7	173.2	-76.5	-160.5	0	0	0	115.8	R202 F203 E228 Y424 C438 F605	R202-L226 VanDerWaalsContact O-O 3.13Å; F203-L226 VanDerWaalsContact CA-O 3.31Å; F203-L226 WeakPolarHBondContact CA-O 3.33Å; L226-E228 PolarHBondContact O-N 3.39Å; L226-Y424 HydrophobicContact CB-CE1 4.05Å; L226-Y424 HydrophobicContact CD1-CE1 4.48Å; L226-Y424 WeakPolarHBondContact CD1-OH 3.42Å; L226-C438 HydrophobicContact CD1-CB 3.83Å; L226-F605 HydrophobicContact CB-CE2 4.5Å; L226-F605 HydrophobicContact CD1-CD1 4.15Å; L226-F605 HydrophobicContact CD1-CD2 3.4Å; L226-F605 VanDerWaalsContact CD1-CD2 3.4Å; L226-F605 HydrophobicContact CD1-CE1 3.8Å; L226-F605 HydrophobicContact CD1-CE2 3.04Å; L226-F605 HydrophobicContact CD1-CG 3.92Å; L226-F605 HydrophobicContact CD1-CZ 3.2Å; L226-F605 HydrophobicContact CD2-CB 3.89Å; L226-F605 HydrophobicContact CD2-CD2 3.31Å; L226-F605 HydrophobicContact CD2-CE2 3.88Å; L226-F605 HydrophobicContact CD2-CG 3.66Å; L226-F605 HydrophobicContact CG-CD2 3.2Å; L226-F605 HydrophobicContact CG-CE2 3.21Å; L226-F605 HydrophobicContact CG-CG 3.98Å; L226-F605 HydrophobicContact CG-CZ 3.94Å
227	L	85.1	Confident	84.1	Confident	22 Å²	22	35 Å²	35	12%	0.115	17%	0.174	C	C	.	.			trans	-65.8	127	161.2	-176.2	70.9	0	0	0	109.2	F203 Y225 K229 F242 Y390 F394	F203-L227 HydrophobicContact CB-CB 4.48Å; F203-L227 HydrophobicContact CB-CD1 4.18Å; Y225-L227 PolarHBondContact O-N 2.88Å; L227-K229 PolarHBondContact O-N 3.37Å; L227-F242 HydrophobicContact CD1-CE1 4.02Å; L227-F242 HydrophobicContact CD1-CZ 3.81Å; L227-F242 HydrophobicContact CG-CZ 4.34Å; L227-Y390 HydrophobicContact CD2-CD1 4.05Å; L227-Y390 HydrophobicContact CD2-CE1 4.11Å; L227-F394 HydrophobicContact CB-CD1 4.34Å; L227-F394 HydrophobicContact CD1-CD1 4.12Å; L227-F394 HydrophobicContact CD1-CE1 4.09Å; L227-F394 HydrophobicContact CD1-CG 4.43Å; L227-F394 HydrophobicContact CD1-CZ 4.38Å; L227-F394 HydrophobicContact CD2-CB 3.85Å; L227-F394 HydrophobicContact CD2-CD1 3.8Å; L227-F394 HydrophobicContact CD2-CG 3.89Å; L227-F394 HydrophobicContact CG-CD1 4.31Å
228	E	82.1	Confident	84	Confident	26 Å²	26	35 Å²	35	12%	0.121	18%	0.176	C	C	.	.			trans	-70.2	75.1	174.8	-169.7	-173.6	-147.6	0	0	111.1	R202 L226 S230 R231 E435	R202-E228 HydrophobicContact CB-CB 3.93Å; R202-E228 WeakPolarHBondContact CG-OE2 3.33Å; R202-E228 IonicContact CZ-OE1 3.49Å; R202-E228 IonicContact CZ-OE2 3.04Å; R202-E228 IonicContact NE-OE1 3.59Å; R202-E228 IonicContact NE-OE2 3.46Å; R202-E228 PolarHBondContact NE-OE2 3.08Å; R202-E228 VanDerWaalsContact NH2-CD 3.35Å; R202-E228 IonicContact NH2-OE1 2.8Å; R202-E228 PolarHBondContact NH2-OE1 3.36Å; R202-E228 IonicContact NH2-OE2 2.74Å; R202-E228 PolarHBondContact NH2-OE2 3.31Å; R202-E228 PolarHBondContact O-N 3.14Å; L226-E228 PolarHBondContact O-N 3.39Å; E228-S230 PolarHBondContact O-N 3.4Å; E228-R231 HydrophobicContact CG-CB 4.24Å; E228-R231 WeakPolarHBondContact O-CB 3.23Å; E228-R231 PolarHBondContact O-N 3.14Å; E228-R231 VanDerWaalsContact O-N 3.11Å; E228-R231 IonicContact OE1-NH2 3.97Å; E228-R231 PolarHBondContact OE1-NH2 3.05Å; E228-R231 IonicContact OE2-CZ 2.69Å; E228-R231 VanDerWaalsContact OE2-CZ 3.27Å; E228-R231 IonicContact OE2-NE 2.92Å; E228-R231 PolarHBondContact OE2-NE 3.32Å; E228-R231 IonicContact OE2-NH2 3.81Å; E228-R231 PolarHBondContact OE2-NH2 3.46Å; E228-E435 HydrophobicContact CG-CG 4.15Å
229	K	84.3	Confident	84.2	Confident	64 Å²	64	35 Å²	35	28%	0.278	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-57.3	-35.1	-175.7	-56.9	-178.4	-164.5	169.4	0	112.5	L227 R231 V232 K387 D565	L227-K229 PolarHBondContact O-N 3.37Å; K229-R231 PolarHBondContact O-N 2.96Å; K229-R231 VanDerWaalsContact O-N 3.13Å; K229-V232 WeakPolarHBondContact O-CB 3.43Å; K229-V232 WeakPolarHBondContact O-CG2 3.25Å; K229-V232 PolarHBondContact O-N 2.9Å; K229-K387 HydrophobicContact CB-CB 4.19Å; K229-K387 HydrophobicContact CB-CD 4.49Å; K229-K387 HydrophobicContact CB-CG 4.32Å; K229-K387 WeakPolarHBondContact O-CG 3.29Å; K229-D565 IonicContact NZ-OD2 2.85Å; K229-D565 PolarHBondContact NZ-OD2 2.83Å
230	S	81.1	Confident	84.5	Confident	29 Å²	29	34.9 Å²	34.9	20%	0.203	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-56.7	-29	179.5	52.5	0	0	0	0	113	E228 V232 V233 H234 E435	E228-S230 PolarHBondContact O-N 3.4Å; S230-V232 PolarHBondContact O-N 3.38Å; S230-V233 WeakPolarHBondContact O-CG2 3.41Å; S230-V233 PolarHBondContact O-N 3.24Å; S230-V233 VanDerWaalsContact O-N 3.15Å; S230-H234 PolarHBondContact O-N 2.89Å; S230-E435 VanDerWaalsContact CB-OE1 3.31Å; S230-E435 WeakPolarHBondContact CB-OE1 3.08Å; S230-E435 PolarHBondContact OG-OE1 2.94Å
231	R	87.2	Confident	84.8	Confident	8 Å²	8	34.8 Å²	34.8	3%	0.03	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-60.5	-26.3	176.9	-173.6	167.9	-63.7	-79.3	-11.5	113.8	E228 K229 V233 H234 Q235 E239 R240 N241 F242	E228-R231 HydrophobicContact CG-CB 4.24Å; E228-R231 WeakPolarHBondContact O-CB 3.23Å; E228-R231 PolarHBondContact O-N 3.14Å; E228-R231 VanDerWaalsContact O-N 3.11Å; E228-R231 IonicContact OE1-NH2 3.97Å; E228-R231 PolarHBondContact OE1-NH2 3.05Å; E228-R231 IonicContact OE2-CZ 2.69Å; E228-R231 VanDerWaalsContact OE2-CZ 3.27Å; E228-R231 IonicContact OE2-NE 2.92Å; E228-R231 PolarHBondContact OE2-NE 3.32Å; E228-R231 IonicContact OE2-NH2 3.81Å; E228-R231 PolarHBondContact OE2-NH2 3.46Å; K229-R231 PolarHBondContact O-N 2.96Å; K229-R231 VanDerWaalsContact O-N 3.13Å; R231-V233 VanDerWaalsContact C-N 3.25Å; R231-V233 PolarHBondContact O-N 3.27Å; R231-H234 VanDerWaalsContact CA-O 3.3Å; R231-H234 WeakPolarHBondContact CA-O 3.48Å; R231-Q235 HydrophobicContact CG-CG 4.39Å; R231-Q235 PolarHBondContact O-NE2 2.86Å; R231-E239 IonicContact CZ-OE2 3.95Å; R231-E239 IonicContact NH1-OE2 2.71Å; R231-E239 PolarHBondContact NH1-OE2 3.34Å; R231-E239 IonicContact NH2-OE2 3.11Å; R231-E239 PolarHBondContact NH2-OE2 3.01Å; R231-R240 PolarHBondContact NH1-O 2.84Å; R231-R240 VanDerWaalsContact NH1-O 3.13Å; R231-N241 PolarHBondContact O-ND2 3.12Å; R231-N241 PolarHBondContact O-OD1 3.38Å; R231-F242 HydrophobicContact CB-CE2 4.11Å; R231-F242 HydrophobicContact CB-CZ 4.19Å; R231-F242 HydrophobicContact CG-CE2 4.42Å
232	V	90.6	Very high	85	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-60.7	-38.8	178.3	179	0	0	0	0	110.9	K229 S230 N241 F242 V316 Y390	K229-V232 WeakPolarHBondContact O-CB 3.43Å; K229-V232 WeakPolarHBondContact O-CG2 3.25Å; K229-V232 PolarHBondContact O-N 2.9Å; S230-V232 PolarHBondContact O-N 3.38Å; V232-N241 PolarHBondContact O-ND2 3.29Å; V232-F242 HydrophobicContact CG2-CD2 4.17Å; V232-F242 HydrophobicContact CG2-CE2 3.77Å; V232-V316 HydrophobicContact CG1-CG1 3.53Å; V232-Y390 HydrophobicContact CG2-CD1 3.52Å; V232-Y390 HydrophobicContact CG2-CD2 4.37Å; V232-Y390 HydrophobicContact CG2-CE1 4.14Å; V232-Y390 HydrophobicContact CG2-CG 3.66Å
233	V	87.5	Confident	85.2	Confident	10 Å²	10	31.6 Å²	31.6	6%	0.061	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-21.7	-170.8	-59.5	0	0	0	0	113.4	S230 R231 Y271 K274 D383 K387	S230-V233 WeakPolarHBondContact O-CG2 3.41Å; S230-V233 PolarHBondContact O-N 3.24Å; S230-V233 VanDerWaalsContact O-N 3.15Å; R231-V233 VanDerWaalsContact C-N 3.25Å; R231-V233 PolarHBondContact O-N 3.27Å; V233-Y271 HydrophobicContact CB-CD1 4.39Å; V233-Y271 HydrophobicContact CB-CE1 3.91Å; V233-Y271 HydrophobicContact CG1-CE1 3.98Å; V233-Y271 HydrophobicContact CG1-CE2 4.15Å; V233-K274 WeakPolarHBondContact O-CD 3.31Å; V233-K274 PolarHBondContact O-NZ 3.47Å; V233-D383 HydrophobicContact CB-CB 4.16Å; V233-D383 HydrophobicContact CG1-CB 3.92Å; V233-D383 HydrophobicContact CG2-CB 4.31Å; V233-K387 HydrophobicContact CG1-CG 3.95Å; V233-K387 HydrophobicContact CG2-CD 4.04Å; V233-K387 HydrophobicContact CG2-CG 4.14Å
234	H	83.6	Confident	85.6	Confident	106 Å²	106	30.1 Å²	30.1	49%	0.491	15%	0.152	S	C	.	.			trans	-140.7	139.7	-177.6	-175.5	85.5	0	0	0	111.6	S230 R231	S230-H234 PolarHBondContact O-N 2.89Å; R231-H234 VanDerWaalsContact CA-O 3.3Å; R231-H234 WeakPolarHBondContact CA-O 3.48Å
235	Q	83.5	Confident	86	Confident	6 Å²	6	28.5 Å²	28.5	3%	0.028	14%	0.143	C	C	.	.			trans	-137.7	142.5	173.7	-50.9	83.3	38.1	0	0	110	R231 E239 N241 Y271	R231-Q235 HydrophobicContact CG-CG 4.39Å; R231-Q235 PolarHBondContact O-NE2 2.86Å; Q235-E239 HydrophobicContact CB-CB 4.42Å; Q235-N241 HydrophobicContact CG-CB 4.36Å; Q235-N241 PolarHBondContact NE2-ND2 3.23Å; Q235-N241 VanDerWaalsContact NE2-ND2 3.16Å; Q235-Y271 PolarHBondContact NE2-O 3.16Å; Q235-Y271 PolarHBondContact OE1-O 3.23Å
236	N	79.6	Confident	86.7	Confident	85 Å²	85	27.9 Å²	27.9	46%	0.455	14%	0.141	S	C	.	.			trans	-68.3	157.2	173.8	-69.1	-32.3	0	0	0	111.1	G238 E239 G275	N236-G238 PolarHBondContact O-N 3.36Å; N236-E239 HydrophobicContact CB-CG 4.04Å; N236-E239 WeakPolarHBondContact O-CB 3.45Å; N236-E239 PolarHBondContact O-N 2.65Å; N236-G275 WeakPolarHBondContact O-CA 3.28Å
237	H	81	Confident	87.6	Confident	142 Å²	142	25.8 Å²	25.8	66%	0.657	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	128.8	177.1	-168.7	80.1	0	0	0	111.4	E239	H237-E239 VanDerWaalsContact C-N 3.35Å
238	G	81.7	Confident	88	Confident	14 Å²	14	24.7 Å²	24.7	14%	0.144	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	-4.7	-176.8	0	0	0	0	0	115.1	K193 N236 G275	K193-G238 PolarHBondContact NZ-O 3Å; N236-G238 PolarHBondContact O-N 3.36Å; G238-G275 WeakPolarHBondContact CA-O 3.49Å; G238-G275 PolarHBondContact N-O 2.91Å
239	E	85.8	Confident	88.5	Confident	7 Å²	7	23.5 Å²	23.5	3%	0.033	12%	0.118	C	C	.	.			trans	-96	166.9	176.2	-56.2	-157.5	146.6	0	0	112.9	K193 T194 L195 R231 Q235 N236 H237 G275	K193-E239 WeakPolarHBondContact O-CA 3.35Å; K193-E239 WeakPolarHBondContact O-CB 3.26Å; T194-E239 WeakPolarHBondContact CA-OE1 3.38Å; T194-E239 WeakPolarHBondContact CB-OE1 3.41Å; L195-E239 HydrophobicContact CG-CG 4.36Å; R231-E239 IonicContact CZ-OE2 3.95Å; R231-E239 IonicContact NH1-OE2 2.71Å; R231-E239 PolarHBondContact NH1-OE2 3.34Å; R231-E239 IonicContact NH2-OE2 3.11Å; R231-E239 PolarHBondContact NH2-OE2 3.01Å; Q235-E239 HydrophobicContact CB-CB 4.42Å; N236-E239 HydrophobicContact CB-CG 4.04Å; N236-E239 WeakPolarHBondContact O-CB 3.45Å; N236-E239 PolarHBondContact O-N 2.65Å; H237-E239 VanDerWaalsContact C-N 3.35Å; E239-G275 WeakPolarHBondContact O-CA 3.36Å
240	R	90.2	Very high	88.8	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.115	C	C	.	.			trans	-115.1	162.8	171.2	-67.3	-158.6	-62.1	172.2	3.3	111.5	K193 R231 H243 Y246 C277 D285	K193-R240 HydrophobicContact CB-CB 3.96Å; K193-R240 HydrophobicContact CB-CG 4Å; K193-R240 HydrophobicContact CD-CG 4.07Å; K193-R240 PolarHBondContact O-N 3.42Å; R231-R240 PolarHBondContact NH1-O 2.84Å; R231-R240 VanDerWaalsContact NH1-O 3.13Å; R240-H243 PolarHBondContact NH2-ND1 3.42Å; R240-Y246 HydrophobicContact CB-CE2 3.74Å; R240-Y246 HydrophobicContact CG-CE1 4.49Å; R240-Y246 HydrophobicContact CG-CE2 4.28Å; R240-C277 VanDerWaalsContact CD-O 3.29Å; R240-C277 WeakPolarHBondContact CD-O 3.3Å; R240-C277 HydrophobicContact CG-CB 4.46Å; R240-C277 VanDerWaalsContact CG-O 3.28Å; R240-C277 WeakPolarHBondContact CG-O 3.38Å; R240-D285 IonicContact CZ-OD1 3.78Å; R240-D285 IonicContact CZ-OD2 3.5Å; R240-D285 IonicContact NH1-OD1 2.73Å; R240-D285 PolarHBondContact NH1-OD1 2.98Å; R240-D285 IonicContact NH1-OD2 3.64Å; R240-D285 PolarHBondContact NH1-OD2 2.94Å; R240-D285 IonicContact NH2-OD1 2.85Å; R240-D285 PolarHBondContact NH2-OD1 3.39Å
241	N	92.6	Very high	89.1	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.112	C	C	.	.			trans	-71	-176.8	161	-150.3	-31.9	0	0	0	110	A192 R231 V232 Q235 F245 Y246 Y271 L272	A192-N241 WeakPolarHBondContact CB-O 3.43Å; R231-N241 PolarHBondContact O-ND2 3.12Å; R231-N241 PolarHBondContact O-OD1 3.38Å; V232-N241 PolarHBondContact O-ND2 3.29Å; Q235-N241 HydrophobicContact CG-CB 4.36Å; Q235-N241 PolarHBondContact NE2-ND2 3.23Å; Q235-N241 VanDerWaalsContact NE2-ND2 3.16Å; N241-F245 HydrophobicContact CB-CD2 4.2Å; N241-Y246 HydrophobicContact CB-CE2 3.97Å; N241-Y246 PolarHBondContact N-OH 2.97Å; N241-Y246 VanDerWaalsContact N-OH 3.1Å; N241-Y271 PolarHBondContact ND2-O 2.99Å; N241-L272 HydrophobicContact CB-CD2 3.81Å
242	F	94.4	Very high	89.2	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-58.8	146.1	177.1	-65	-71.9	0	0	0	112.5	F189 N191 A192 R202 L227 R231 V232 I244 F245 Y246 Y390	F189-F242 VanDerWaalsContact O-CD1 3.24Å; F189-F242 WeakPolarHBondContact O-CD1 3.38Å; F189-F242 WeakPolarHBondContact O-CG 3.49Å; N191-F242 WeakPolarHBondContact O-CA 3.48Å; A192-F242 HydrophobicContact CB-CD1 4.48Å; R202-F242 HydrophobicContact CB-CE1 4.12Å; L227-F242 HydrophobicContact CD1-CE1 4.02Å; L227-F242 HydrophobicContact CD1-CZ 3.81Å; L227-F242 HydrophobicContact CG-CZ 4.34Å; R231-F242 HydrophobicContact CB-CE2 4.11Å; R231-F242 HydrophobicContact CB-CZ 4.19Å; R231-F242 HydrophobicContact CG-CE2 4.42Å; V232-F242 HydrophobicContact CG2-CD2 4.17Å; V232-F242 HydrophobicContact CG2-CE2 3.77Å; F242-I244 VanDerWaalsContact C-N 3.27Å; F242-I244 HydrophobicContact CB-CG2 4.34Å; F242-I244 PolarHBondContact O-N 2.92Å; F242-F245 HydrophobicContact CB-CD2 4.21Å; F242-F245 HydrophobicContact CB-CE2 4.25Å; F242-F245 HydrophobicContact CD2-CE2 4.41Å; F242-F245 PolarHBondContact O-N 3.44Å; F242-Y246 WeakPolarHBondContact O-CD2 3.49Å; F242-Y390 VanDerWaalsContact CB-OH 3.28Å; F242-Y390 WeakPolarHBondContact CB-OH 3.46Å; F242-Y390 HydrophobicContact CD2-CD1 4.37Å; F242-Y390 AromaticContact CD2-CE1 3.49Å; F242-Y390 HydrophobicContact CD2-CE1 3.49Å; F242-Y390 VanDerWaalsContact CD2-CE1 3.49Å; F242-Y390 HydrophobicContact CD2-CE2 4.41Å; F242-Y390 AromaticContact CD2-CZ 3.51Å; F242-Y390 WeakPolarHBondContact CD2-OH 3.43Å; F242-Y390 HydrophobicContact CE2-CD1 4.2Å; F242-Y390 AromaticContact CE2-CE1 3.54Å; F242-Y390 HydrophobicContact CE2-CE1 3.54Å; F242-Y390 HydrophobicContact CG-CE1 4.17Å; F242-Y390 AromaticContact CG-CZ 3.93Å; F242-Y390 VanDerWaalsContact CG-OH 3.3Å; F242-Y390 WeakPolarHBondContact CG-OH 3.49Å; F242-Y390 HydrophobicContact CZ-CE1 4.26Å
243	H	93.9	Very high	89.2	Confident	8 Å²	8	28.4 Å²	28.4	4%	0.037	14%	0.143	C	C	.	.	H	α-helix	trans	-60.4	-33.4	-172.4	-64.7	-44	0	0	0	113.8	A188 N191 D198 N199 R240 F245 Y246 Q247	A188-H243 PolarHBondContact O-N 3.11Å; N191-H243 PolarHBondContact O-CD2 2.6Å; N191-H243 VanDerWaalsContact O-CD2 3.26Å; N191-H243 PolarHBondContact O-N 3.21Å; N191-H243 VanDerWaalsContact O-N 3.14Å; D198-H243 PolarHBondContact O-CE1 2.91Å; D198-H243 VanDerWaalsContact O-CE1 3.28Å; N199-H243 PolarHBondContact OD1-NE2 3.45Å; R240-H243 PolarHBondContact NH2-ND1 3.42Å; H243-F245 PolarHBondContact O-N 2.9Å; H243-F245 VanDerWaalsContact O-N 3.16Å; H243-Y246 PolarHBondContact O-N 3.02Å; H243-Q247 VanDerWaalsContact O-CG 3.29Å; H243-Q247 WeakPolarHBondContact O-CG 3.41Å; H243-Q247 PolarHBondContact O-N 2.89Å
244	I	95.6	Very high	89.2	Confident	2 Å²	2	33 Å²	33	1%	0.01	16%	0.164	C	C	.	.	H	α-helix	trans	-54.9	-36.3	-177.4	-172.1	62.4	0	0	0	113.1	A188 F189 F242 M248 W289 V292 I313 Y390	A188-I244 HydrophobicContact CB-CB 4.33Å; A188-I244 HydrophobicContact CB-CD1 4.34Å; A188-I244 WeakPolarHBondContact O-CB 3.45Å; A188-I244 PolarHBondContact O-N 3.49Å; F189-I244 HydrophobicContact CD1-CG1 4.39Å; F189-I244 HydrophobicContact CD1-CG2 4.16Å; F189-I244 HydrophobicContact CD2-CB 4.32Å; F189-I244 HydrophobicContact CD2-CD1 4.32Å; F189-I244 HydrophobicContact CD2-CG1 4.21Å; F189-I244 HydrophobicContact CE1-CG1 4Å; F189-I244 HydrophobicContact CE1-CG2 4.46Å; F189-I244 HydrophobicContact CE2-CB 4.41Å; F189-I244 HydrophobicContact CE2-CD1 3.68Å; F189-I244 HydrophobicContact CE2-CG1 3.8Å; F189-I244 HydrophobicContact CG-CB 4.39Å; F189-I244 HydrophobicContact CG-CG1 4.5Å; F189-I244 HydrophobicContact CG-CG2 4.31Å; F189-I244 HydrophobicContact CZ-CD1 3.89Å; F189-I244 HydrophobicContact CZ-CG1 3.69Å; F242-I244 VanDerWaalsContact C-N 3.27Å; F242-I244 HydrophobicContact CB-CG2 4.34Å; F242-I244 PolarHBondContact O-N 2.92Å; I244-M248 WeakPolarHBondContact O-CB 3.23Å; I244-M248 PolarHBondContact O-N 3.36Å; I244-W289 HydrophobicContact CD1-CE3 4.49Å; I244-W289 HydrophobicContact CD1-CZ3 3.96Å; I244-V292 HydrophobicContact CD1-CG1 4.43Å; I244-I313 HydrophobicContact CG1-CG2 4.48Å; I244-I313 HydrophobicContact CG2-CG2 4.46Å; I244-Y390 HydrophobicContact CG2-CE2 4.37Å
245	F	94.4	Very high	89.6	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.4	-44.5	178.4	-63.9	-66.9	0	0	0	111.9	N241 F242 H243 I249 L272 I313 V316 L317 Y390	N241-F245 HydrophobicContact CB-CD2 4.2Å; F242-F245 HydrophobicContact CB-CD2 4.21Å; F242-F245 HydrophobicContact CB-CE2 4.25Å; F242-F245 HydrophobicContact CD2-CE2 4.41Å; F242-F245 PolarHBondContact O-N 3.44Å; H243-F245 PolarHBondContact O-N 2.9Å; H243-F245 VanDerWaalsContact O-N 3.16Å; F245-I249 VanDerWaalsContact O-CG1 3.32Å; F245-I249 WeakPolarHBondContact O-CG1 3.42Å; F245-I249 PolarHBondContact O-N 2.8Å; F245-L272 HydrophobicContact CB-CD1 4.38Å; F245-L272 HydrophobicContact CB-CD2 3.73Å; F245-L272 HydrophobicContact CD2-CD2 4.37Å; F245-L272 HydrophobicContact CG-CD2 4.15Å; F245-I313 HydrophobicContact CD1-CG2 3.65Å; F245-I313 HydrophobicContact CE1-CG2 3.53Å; F245-I313 HydrophobicContact CZ-CG2 4.44Å; F245-V316 HydrophobicContact CE1-CB 4.33Å; F245-V316 HydrophobicContact CE1-CG1 4.24Å; F245-V316 HydrophobicContact CZ-CB 4.5Å; F245-V316 HydrophobicContact CZ-CG1 4.02Å; F245-L317 HydrophobicContact CB-CD2 4.45Å; F245-L317 HydrophobicContact CD1-CD1 3.95Å; F245-L317 HydrophobicContact CD1-CD2 3.54Å; F245-L317 HydrophobicContact CD1-CG 3.66Å; F245-L317 HydrophobicContact CE1-CD2 3.92Å; F245-L317 HydrophobicContact CE1-CG 3.96Å; F245-L317 HydrophobicContact CG-CD2 4.11Å; F245-Y390 HydrophobicContact CE1-CE2 4.49Å; F245-Y390 HydrophobicContact CE2-CD2 4.36Å; F245-Y390 AromaticContact CE2-CE2 3.82Å; F245-Y390 HydrophobicContact CE2-CE2 3.82Å; F245-Y390 AromaticContact CZ-CD2 3.78Å; F245-Y390 HydrophobicContact CZ-CD2 3.78Å; F245-Y390 AromaticContact CZ-CE2 3.58Å; F245-Y390 HydrophobicContact CZ-CE2 3.58Å
246	Y	92.8	Very high	89.9	Confident	2 Å²	2	33 Å²	33	1%	0.008	17%	0.167	C	C	.	.	H	α-helix	trans	-72	-42.2	179.5	-57.1	-87.9	0	0	0	111.3	R240 N241 F242 H243 M248 I249 E250 T266 L272	R240-Y246 HydrophobicContact CB-CE2 3.74Å; R240-Y246 HydrophobicContact CG-CE1 4.49Å; R240-Y246 HydrophobicContact CG-CE2 4.28Å; N241-Y246 HydrophobicContact CB-CE2 3.97Å; N241-Y246 PolarHBondContact N-OH 2.97Å; N241-Y246 VanDerWaalsContact N-OH 3.1Å; F242-Y246 WeakPolarHBondContact O-CD2 3.49Å; H243-Y246 PolarHBondContact O-N 3.02Å; Y246-M248 VanDerWaalsContact C-N 3.33Å; Y246-M248 PolarHBondContact O-N 3.26Å; Y246-I249 PolarHBondContact O-N 2.93Å; Y246-E250 WeakPolarHBondContact O-CB 3.44Å; Y246-E250 PolarHBondContact O-N 3.24Å; Y246-T266 HydrophobicContact CD1-CG2 4.1Å; Y246-L272 HydrophobicContact CE1-CB 4.44Å; Y246-L272 HydrophobicContact CE1-CD2 4.37Å; Y246-L272 HydrophobicContact CE2-CD2 4.16Å
247	Q	93.4	Very high	90.4	Very high	10 Å²	10	29.2 Å²	29.2	5%	0.047	15%	0.147	C	C	.	.	H	α-helix	trans	-60.3	-42.2	176.6	-69.2	171.3	-4.4	0	0	111.8	A188 H243 G251 D285 D288 W289	A188-Q247 VanDerWaalsContact CB-OE1 3.32Å; H243-Q247 VanDerWaalsContact O-CG 3.29Å; H243-Q247 WeakPolarHBondContact O-CG 3.41Å; H243-Q247 PolarHBondContact O-N 2.89Å; Q247-G251 VanDerWaalsContact O-CA 3.25Å; Q247-G251 WeakPolarHBondContact O-CA 3.46Å; Q247-G251 PolarHBondContact O-N 3.22Å; Q247-D285 HydrophobicContact CG-CB 4.19Å; Q247-D288 HydrophobicContact CG-CB 4.18Å; Q247-W289 HydrophobicContact CB-CB 4.18Å; Q247-W289 HydrophobicContact CB-CE3 4.04Å
248	M	93.2	Very high	90.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-65.7	-47.3	177.7	-177.2	175.6	62.4	0	0	112	I244 Y246 G252 L260 L262 W289 L310 I313 L317	I244-M248 WeakPolarHBondContact O-CB 3.23Å; I244-M248 PolarHBondContact O-N 3.36Å; Y246-M248 VanDerWaalsContact C-N 3.33Å; Y246-M248 PolarHBondContact O-N 3.26Å; M248-G252 VanDerWaalsContact O-CA 3.3Å; M248-G252 WeakPolarHBondContact O-CA 3.33Å; M248-G252 PolarHBondContact O-N 3.05Å; M248-L260 HydrophobicContact CG-CD1 4.4Å; M248-L260 HydrophobicContact SD-CD1 3.82Å; M248-L262 HydrophobicContact CE-CD1 3.54Å; M248-L262 HydrophobicContact SD-CD1 4.22Å; M248-W289 HydrophobicContact CB-CE3 4.39Å; M248-W289 HydrophobicContact CB-CH2 4.18Å; M248-W289 HydrophobicContact CB-CZ3 3.83Å; M248-W289 HydrophobicContact CG-CH2 4.11Å; M248-W289 HydrophobicContact CG-CZ3 4.27Å; M248-L310 HydrophobicContact SD-CD2 3.95Å; M248-I313 HydrophobicContact CE-CG2 3.84Å; M248-I313 HydrophobicContact SD-CG2 4.41Å; M248-L317 HydrophobicContact CE-CD1 4.07Å
249	I	91.9	Very high	91.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-67.2	-48.3	-178.3	-67.6	170.1	0	0	0	111.4	F245 Y246 R264 T266 Y269 L272 L317	F245-I249 VanDerWaalsContact O-CG1 3.32Å; F245-I249 WeakPolarHBondContact O-CG1 3.42Å; F245-I249 PolarHBondContact O-N 2.8Å; Y246-I249 PolarHBondContact O-N 2.93Å; I249-R264 WeakPolarHBondContact O-CG 3.28Å; I249-T266 HydrophobicContact CB-CG2 4.5Å; I249-T266 HydrophobicContact CD1-CG2 4.24Å; I249-T266 HydrophobicContact CG2-CG2 4.06Å; I249-Y269 HydrophobicContact CD1-CD2 3.83Å; I249-Y269 HydrophobicContact CD1-CE2 3.83Å; I249-L272 HydrophobicContact CD1-CD1 3.47Å; I249-L272 VanDerWaalsContact CD1-CD1 3.47Å; I249-L317 HydrophobicContact CD1-CD1 4.01Å
250	E	89.9	Confident	91.5	Very high	45 Å²	45	35.6 Å²	35.6	21%	0.21	16%	0.161	C	C	.	.	H	α-helix	trans	-79.5	-34.2	-175.4	-72.7	-71.3	174.1	0	0	113.2	Y246 D285 R286	Y246-E250 WeakPolarHBondContact O-CB 3.44Å; Y246-E250 PolarHBondContact O-N 3.24Å; E250-D285 HydrophobicContact CB-CB 4.29Å; E250-R286 PolarHBondContact O-NH2 3.21Å
251	G	87.8	Confident	91.4	Very high	13 Å²	13	36.3 Å²	36.3	13%	0.134	17%	0.168	C	C	.	.	H	α-helix	trans	-97.6	-24	-174.1	0	0	0	0	0	115.3	Q247 W289	Q247-G251 VanDerWaalsContact O-CA 3.25Å; Q247-G251 WeakPolarHBondContact O-CA 3.46Å; Q247-G251 PolarHBondContact O-N 3.22Å; G251-W289 PolarHBondContact O-NE1 3.22Å
252	G	89.1	Confident	91.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	-62.6	143.6	-178.6	0	0	0	0	0	113.1	M248 R264	M248-G252 VanDerWaalsContact O-CA 3.3Å; M248-G252 WeakPolarHBondContact O-CA 3.33Å; M248-G252 PolarHBondContact O-N 3.05Å; G252-R264 PolarHBondContact O-NH2 2.8Å
253	E	90.6	Very high	91.1	Very high	147 Å²	147	42.1 Å²	42.1	69%	0.687	20%	0.195	S	C	*	.			trans	-66.7	151.8	174	-64.3	-178.5	176.1	0	0	110.8	D255 L256 L257	E253-D255 PolarHBondContact O-N 3.11Å; E253-L256 WeakPolarHBondContact O-CB 3.37Å; E253-L256 PolarHBondContact O-N 3.38Å; E253-L256 VanDerWaalsContact O-N 3.13Å; E253-L257 WeakPolarHBondContact O-CG 3.49Å; E253-L257 PolarHBondContact O-N 3.01Å
254	E	89.1	Confident	90.8	Very high	106 Å²	106	46.5 Å²	46.5	50%	0.495	21%	0.212	S	C	.	.	H	α-helix	trans	-60.4	-35.3	-176.3	-70.7	-159.3	170.5	0	0	112.9	L257 R258	E254-L257 PolarHBondContact O-N 3.28Å; E254-R258 WeakPolarHBondContact O-CB 3.48Å; E254-R258 WeakPolarHBondContact O-CG 3.33Å; E254-R258 PolarHBondContact O-N 2.87Å; E254-R258 IonicContact OE2-CZ 3.68Å; E254-R258 IonicContact OE2-NH1 3.88Å; E254-R258 IonicContact OE2-NH2 2.82Å; E254-R258 PolarHBondContact OE2-NH2 2.7Å
255	D	90.5	Very high	90.4	Very high	93 Å²	93	49.2 Å²	49.2	50%	0.497	23%	0.226	S	C	.	.	H	α-helix	trans	-68.5	-37.4	178.9	-62.8	-25.6	0	0	0	111.7	E253 R258 R259	E253-D255 PolarHBondContact O-N 3.11Å; D255-R258 IonicContact OD1-NE 3.98Å; D255-R258 IonicContact OD1-NH2 3.85Å; D255-R259 WeakPolarHBondContact O-CG 3.26Å; D255-R259 PolarHBondContact O-N 3.13Å
256	L	89.8	Confident	89.9	Confident	18 Å²	18	49.7 Å²	49.7	9%	0.094	23%	0.229	C	C	.	.	H	α-helix	trans	-64.6	-46.8	173.3	177.5	65.5	0	0	0	110.9	E253 R258 R259 L260 W289 L310	E253-L256 WeakPolarHBondContact O-CB 3.37Å; E253-L256 PolarHBondContact O-N 3.38Å; E253-L256 VanDerWaalsContact O-N 3.13Å; L256-R258 PolarHBondContact O-N 3.21Å; L256-R259 PolarHBondContact O-N 2.79Å; L256-L260 HydrophobicContact CD1-CD1 4.02Å; L256-L260 HydrophobicContact CD1-CG 4.26Å; L256-L260 HydrophobicContact CG-CD1 3.96Å; L256-L260 VanDerWaalsContact O-CG 3.32Å; L256-L260 WeakPolarHBondContact O-CG 3.39Å; L256-L260 PolarHBondContact O-N 3.31Å; L256-W289 HydrophobicContact CD2-CZ2 3.87Å; L256-L310 HydrophobicContact CD1-CD1 4.34Å; L256-L310 HydrophobicContact CD2-CD1 4.16Å
257	L	91.3	Very high	89.5	Confident	7 Å²	7	56 Å²	56	4%	0.037	26%	0.259	C	S	.	.	H	α-helix	trans	-61.4	-43.2	178.4	-67	177.2	0	0	0	111.6	E253 E254 R259 L260 G261 L262 R264	E253-L257 WeakPolarHBondContact O-CG 3.49Å; E253-L257 PolarHBondContact O-N 3.01Å; E254-L257 PolarHBondContact O-N 3.28Å; L257-R259 PolarHBondContact O-N 3.38Å; L257-L260 CarbonylContact O-C 3.57Å; L257-L260 PolarHBondContact O-N 2.86Å; L257-G261 PolarHBondContact O-N 2.68Å; L257-L262 CarbonylContact C-O 3.51Å; L257-L262 HydrophobicContact CD2-CB 4.07Å; L257-L262 HydrophobicContact CD2-CD1 4.47Å; L257-L262 PolarHBondContact O-N 2.76Å; L257-R264 HydrophobicContact CD1-CB 4.21Å
258	R	90.1	Very high	89.1	Confident	161 Å²	161	59.3 Å²	59.3	61%	0.608	27%	0.274	S	S	*	.	H	α-helix	trans	-59.1	-44.6	173.6	-79.7	-171.1	-104.2	-101.1	-4.9	112.4	E254 D255 L256 L260 G261	E254-R258 WeakPolarHBondContact O-CB 3.48Å; E254-R258 WeakPolarHBondContact O-CG 3.33Å; E254-R258 PolarHBondContact O-N 2.87Å; E254-R258 IonicContact OE2-CZ 3.68Å; E254-R258 IonicContact OE2-NH1 3.88Å; E254-R258 IonicContact OE2-NH2 2.82Å; E254-R258 PolarHBondContact OE2-NH2 2.7Å; D255-R258 IonicContact OD1-NE 3.98Å; D255-R258 IonicContact OD1-NH2 3.85Å; L256-R258 PolarHBondContact O-N 3.21Å; R258-L260 VanDerWaalsContact C-N 3.33Å; R258-L260 PolarHBondContact O-N 2.66Å; R258-G261 PolarHBondContact O-N 2.81Å
259	R	89.1	Confident	89	Confident	134 Å²	134	59.6 Å²	59.6	51%	0.506	28%	0.275	S	S	.	.	H	α-helix	trans	-61.6	-41.8	175.8	-75.5	-163.6	-61.8	-95.4	2.3	111.8	D255 L256 L257 G261 E307 R344	D255-R259 WeakPolarHBondContact O-CG 3.26Å; D255-R259 PolarHBondContact O-N 3.13Å; L256-R259 PolarHBondContact O-N 2.79Å; L257-R259 PolarHBondContact O-N 3.38Å; R259-G261 PolarHBondContact O-N 3.35Å; R259-E307 IonicContact NE-OE1 3.82Å; R259-R344 PolarHBondContact O-NH2 2.73Å
260	L	90.9	Very high	88.8	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-74.3	-11.1	178.6	-65.2	174.1	0	0	0	113.7	M248 L256 L257 R258 L262 L310 N311 A314 H318 L345	M248-L260 HydrophobicContact CG-CD1 4.4Å; M248-L260 HydrophobicContact SD-CD1 3.82Å; L256-L260 HydrophobicContact CD1-CD1 4.02Å; L256-L260 HydrophobicContact CD1-CG 4.26Å; L256-L260 HydrophobicContact CG-CD1 3.96Å; L256-L260 VanDerWaalsContact O-CG 3.32Å; L256-L260 WeakPolarHBondContact O-CG 3.39Å; L256-L260 PolarHBondContact O-N 3.31Å; L257-L260 CarbonylContact O-C 3.57Å; L257-L260 PolarHBondContact O-N 2.86Å; R258-L260 VanDerWaalsContact C-N 3.33Å; R258-L260 PolarHBondContact O-N 2.66Å; L260-L262 VanDerWaalsContact C-N 3.29Å; L260-L262 HydrophobicContact CB-CB 4.47Å; L260-L262 HydrophobicContact CB-CD1 3.9Å; L260-L262 HydrophobicContact CB-CG 3.88Å; L260-L262 HydrophobicContact CD1-CD1 4.1Å; L260-L310 HydrophobicContact CD1-CB 4.39Å; L260-L310 HydrophobicContact CD2-CB 4.38Å; L260-N311 WeakPolarHBondContact CD2-OD1 3.37Å; L260-A314 HydrophobicContact CB-CB 4.01Å; L260-A314 HydrophobicContact CD1-CB 4.44Å; L260-A314 HydrophobicContact CD2-CB 3.9Å; L260-A314 HydrophobicContact CG-CB 4.34Å; L260-H318 PolarHBondContact O-NE2 3.16Å; L260-L345 HydrophobicContact CD2-CD2 4.23Å
261	G	89.3	Confident	88.9	Confident	15 Å²	15	61.5 Å²	61.5	16%	0.155	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	22	-174.2	0	0	0	0	0	113.2	L257 R258 R259 H318	L257-G261 PolarHBondContact O-N 2.68Å; R258-G261 PolarHBondContact O-N 2.81Å; R259-G261 PolarHBondContact O-N 3.35Å; G261-H318 PolarHBondContact O-CE1 3.25Å; G261-H318 PolarHBondContact O-NE2 2.82Å
262	L	90.7	Very high	88.9	Confident	9 Å²	9	61.1 Å²	61.1	5%	0.047	28%	0.279	C	S	.	.			trans	-103.1	145.9	-176.2	-59.9	175.3	0	0	0	112.2	M248 L257 L260 Y269 A314 L317	M248-L262 HydrophobicContact CE-CD1 3.54Å; M248-L262 HydrophobicContact SD-CD1 4.22Å; L257-L262 CarbonylContact C-O 3.51Å; L257-L262 HydrophobicContact CD2-CB 4.07Å; L257-L262 HydrophobicContact CD2-CD1 4.47Å; L257-L262 PolarHBondContact O-N 2.76Å; L260-L262 VanDerWaalsContact C-N 3.29Å; L260-L262 HydrophobicContact CB-CB 4.47Å; L260-L262 HydrophobicContact CB-CD1 3.9Å; L260-L262 HydrophobicContact CB-CG 3.88Å; L260-L262 HydrophobicContact CD1-CD1 4.1Å; L262-Y269 WeakPolarHBondContact CA-OH 3.41Å; L262-Y269 WeakPolarHBondContact CB-OH 3.29Å; L262-Y269 HydrophobicContact CD2-CE1 3.61Å; L262-Y269 HydrophobicContact CD2-CE2 4.47Å; L262-Y269 WeakPolarHBondContact CD2-OH 3.31Å; L262-A314 HydrophobicContact CD1-CB 3.9Å; L262-A314 HydrophobicContact CD2-CB 4.44Å; L262-A314 HydrophobicContact CG-CB 4.29Å; L262-L317 HydrophobicContact CD1-CD1 4.46Å; L262-L317 HydrophobicContact CD2-CB 4.47Å; L262-L317 HydrophobicContact CD2-CD1 4.14Å
263	E	88.8	Confident	88.6	Confident	113 Å²	113	64.2 Å²	64.2	53%	0.528	30%	0.298	S	S	.	.			trans	-106.4	150.3	171.9	-63.8	-172.6	-163.7	0	0	110.2	N265 Q268 Y269	E263-N265 PolarHBondContact O-N 3.05Å; E263-Q268 VanDerWaalsContact CD-OE1 3.31Å; E263-Q268 PolarHBondContact OE2-NE2 2.93Å; E263-Q268 PolarHBondContact OE2-OE1 3.19Å; E263-Y269 PolarHBondContact N-OH 3.19Å
264	R	88.4	Confident	88	Confident	100 Å²	100	60.8 Å²	60.8	38%	0.377	28%	0.281	S	S	.	.	S	Bend	trans	-76.3	55.3	176.9	-166.5	175.6	-77.7	152.6	-2.6	111.2	I249 G252 L257	I249-R264 WeakPolarHBondContact O-CG 3.28Å; G252-R264 PolarHBondContact O-NH2 2.8Å; L257-R264 HydrophobicContact CD1-CB 4.21Å
265	N	86.7	Confident	87.3	Confident	60 Å²	60	55.8 Å²	55.8	32%	0.321	26%	0.258	S	S	.	.			trans	-147.5	106.6	175.6	-175.2	-1.7	0	0	0	110.4	E263 Q267 Q268	E263-N265 PolarHBondContact O-N 3.05Å; N265-Q267 PolarHBondContact O-N 3.47Å; N265-Q267 VanDerWaalsContact O-N 3.13Å; N265-Q267 WeakPolarHBondContact OD1-CB 3.41Å; N265-Q267 PolarHBondContact OD1-N 3.5Å; N265-Q268 HydrophobicContact CB-CG 4.32Å; N265-Q268 PolarHBondContact O-N 3.25Å
266	T	84.1	Confident	86.7	Confident	10 Å²	10	56.8 Å²	56.8	6%	0.061	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-64.4	-18.7	-179.9	58.8	0	0	0	0	113.4	Y246 I249 Q268 L272 P278	Y246-T266 HydrophobicContact CD1-CG2 4.1Å; I249-T266 HydrophobicContact CB-CG2 4.5Å; I249-T266 HydrophobicContact CD1-CG2 4.24Å; I249-T266 HydrophobicContact CG2-CG2 4.06Å; T266-Q268 VanDerWaalsContact C-N 3.26Å; T266-Q268 PolarHBondContact O-N 3.29Å; T266-L272 HydrophobicContact CG2-CD1 4.48Å; T266-P278 WeakPolarHBondContact OG1-CB 3.32Å
267	Q	84.4	Confident	86	Confident	135 Å²	135	56.9 Å²	56.9	63%	0.631	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-74.6	-13.8	-178	-62.7	-176.1	-10.9	0	0	113.9	N265 Y269 V273	N265-Q267 PolarHBondContact O-N 3.47Å; N265-Q267 VanDerWaalsContact O-N 3.13Å; N265-Q267 WeakPolarHBondContact OD1-CB 3.41Å; N265-Q267 PolarHBondContact OD1-N 3.5Å; Q267-Y269 VanDerWaalsContact C-N 3.3Å; Q267-V273 WeakPolarHBondContact O-CG2 3.44Å
268	Q	85.9	Confident	85.1	Confident	79 Å²	79	58.8 Å²	58.8	37%	0.369	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-80.5	-11.4	178.9	-69.6	-177.3	-4.3	0	0	113.5	E263 N265 T266 N321	E263-Q268 VanDerWaalsContact CD-OE1 3.31Å; E263-Q268 PolarHBondContact OE2-NE2 2.93Å; E263-Q268 PolarHBondContact OE2-OE1 3.19Å; N265-Q268 HydrophobicContact CB-CG 4.32Å; N265-Q268 PolarHBondContact O-N 3.25Å; T266-Q268 VanDerWaalsContact C-N 3.26Å; T266-Q268 PolarHBondContact O-N 3.29Å; Q268-N321 PolarHBondContact O-ND2 3.2Å; Q268-N321 PolarHBondContact O-OD1 3.29Å
269	Y	89.8	Confident	84.4	Confident	5 Å²	5	58.7 Å²	58.7	2%	0.02	28%	0.282	C	S	.	.			trans	-107.9	116.2	-174.8	-57.3	-74	0	0	0	110.8	I249 L262 E263 Q267 Y271 L272 V273 L317 N321	I249-Y269 HydrophobicContact CD1-CD2 3.83Å; I249-Y269 HydrophobicContact CD1-CE2 3.83Å; L262-Y269 WeakPolarHBondContact CA-OH 3.41Å; L262-Y269 WeakPolarHBondContact CB-OH 3.29Å; L262-Y269 HydrophobicContact CD2-CE1 3.61Å; L262-Y269 HydrophobicContact CD2-CE2 4.47Å; L262-Y269 WeakPolarHBondContact CD2-OH 3.31Å; E263-Y269 PolarHBondContact N-OH 3.19Å; Q267-Y269 VanDerWaalsContact C-N 3.3Å; Y269-Y271 PolarHBondContact O-N 3.21Å; Y269-Y271 VanDerWaalsContact O-N 3.16Å; Y269-L272 HydrophobicContact CD2-CD1 4.15Å; Y269-L272 HydrophobicContact CG-CD1 4.41Å; Y269-L272 PolarHBondContact O-N 3.22Å; Y269-V273 VanDerWaalsContact O-CG2 3.31Å; Y269-V273 WeakPolarHBondContact O-CG2 3.43Å; Y269-V273 PolarHBondContact O-N 3Å; Y269-L317 HydrophobicContact CD1-CB 3.79Å; Y269-L317 HydrophobicContact CE1-CB 4.22Å; Y269-L317 HydrophobicContact CG-CB 4.33Å; Y269-N321 WeakPolarHBondContact CA-OD1 3.38Å
270	Q	88.7	Confident	83.8	Confident	85 Å²	85	53 Å²	53	40%	0.397	26%	0.262	S	S	.	.	H	α-helix	trans	-57.9	-35.9	-174.7	-167.3	172.1	8.7	0	0	112.3	L272 V273 G320 N321	Q270-L272 PolarHBondContact O-N 2.93Å; Q270-V273 PolarHBondContact O-N 2.96Å; Q270-G320 PolarHBondContact OE1-O 3.15Å; Q270-N321 PolarHBondContact N-OD1 3.26Å
271	Y	91.2	Very high	83	Confident	1 Å²	1	59.5 Å²	59.5	0%	0.004	31%	0.307	C	S	.	.	H	α-helix	trans	-71.9	-6.9	177.3	-68.5	-17.1	0	0	0	115.3	V233 Q235 N241 Y269 V316 D383 S386	V233-Y271 HydrophobicContact CB-CD1 4.39Å; V233-Y271 HydrophobicContact CB-CE1 3.91Å; V233-Y271 HydrophobicContact CG1-CE1 3.98Å; V233-Y271 HydrophobicContact CG1-CE2 4.15Å; Q235-Y271 PolarHBondContact NE2-O 3.16Å; Q235-Y271 PolarHBondContact OE1-O 3.23Å; N241-Y271 PolarHBondContact ND2-O 2.99Å; Y269-Y271 PolarHBondContact O-N 3.21Å; Y269-Y271 VanDerWaalsContact O-N 3.16Å; Y271-V316 HydrophobicContact CD2-CG1 4.38Å; Y271-V316 VanDerWaalsContact CD2-O 3.32Å; Y271-V316 WeakPolarHBondContact CD2-O 3.38Å; Y271-V316 WeakPolarHBondContact CE2-O 3.4Å; Y271-D383 PolarHBondContact OH-OD1 2.73Å; Y271-S386 PolarHBondContact OH-OG 2.72Å
272	L	88	Confident	82.2	Confident	4 Å²	4	62.2 Å²	62.2	2%	0.021	32%	0.324	C	S	.	.	H	α-helix	trans	-109.6	-16.9	175.8	-56.7	-177	0	0	0	113	N241 F245 Y246 I249 T266 Y269 Q270 L317	N241-L272 HydrophobicContact CB-CD2 3.81Å; F245-L272 HydrophobicContact CB-CD1 4.38Å; F245-L272 HydrophobicContact CB-CD2 3.73Å; F245-L272 HydrophobicContact CD2-CD2 4.37Å; F245-L272 HydrophobicContact CG-CD2 4.15Å; Y246-L272 HydrophobicContact CE1-CB 4.44Å; Y246-L272 HydrophobicContact CE1-CD2 4.37Å; Y246-L272 HydrophobicContact CE2-CD2 4.16Å; I249-L272 HydrophobicContact CD1-CD1 3.47Å; I249-L272 VanDerWaalsContact CD1-CD1 3.47Å; T266-L272 HydrophobicContact CG2-CD1 4.48Å; Y269-L272 HydrophobicContact CD2-CD1 4.15Å; Y269-L272 HydrophobicContact CG-CD1 4.41Å; Y269-L272 PolarHBondContact O-N 3.22Å; Q270-L272 PolarHBondContact O-N 2.93Å; L272-L317 HydrophobicContact CD1-CD2 3.95Å; L272-L317 HydrophobicContact CD2-CD2 4.04Å; L272-L317 HydrophobicContact CG-CD2 3.86Å
273	V	84.3	Confident	81.9	Confident	66 Å²	66	63.4 Å²	63.4	40%	0.4	33%	0.33	S	S	.	.	H	α-helix	trans	-87.8	-30.6	-174.6	176.8	0	0	0	0	112.9	Q267 Y269 Q270 G275 N276	Q267-V273 WeakPolarHBondContact O-CG2 3.44Å; Y269-V273 VanDerWaalsContact O-CG2 3.31Å; Y269-V273 WeakPolarHBondContact O-CG2 3.43Å; Y269-V273 PolarHBondContact O-N 3Å; Q270-V273 PolarHBondContact O-N 2.96Å; V273-G275 PolarHBondContact O-N 3.15Å; V273-G275 VanDerWaalsContact O-N 3.13Å; V273-N276 PolarHBondContact O-N 2.91Å
274	K	76.9	Confident	81.8	Confident	75 Å²	75	62.4 Å²	62.4	33%	0.326	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-36.6	-172.3	-72	179.4	-178.1	-179.9	0	113.7	V233 N276	V233-K274 WeakPolarHBondContact O-CD 3.31Å; V233-K274 PolarHBondContact O-NZ 3.47Å; K274-N276 VanDerWaalsContact C-N 3.31Å; K274-N276 PolarHBondContact O-N 2.91Å
275	G	74.1	Confident	81.9	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.01	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-8.6	176.9	0	0	0	0	0	115.6	N236 G238 E239 V273 C277	N236-G275 WeakPolarHBondContact O-CA 3.28Å; G238-G275 WeakPolarHBondContact CA-O 3.49Å; G238-G275 PolarHBondContact N-O 2.91Å; E239-G275 WeakPolarHBondContact O-CA 3.36Å; V273-G275 PolarHBondContact O-N 3.15Å; V273-G275 VanDerWaalsContact O-N 3.13Å; G275-C277 VanDerWaalsContact C-N 3.25Å; G275-C277 PolarHBondContact O-N 2.83Å
276	N	77.8	Confident	82.1	Confident	114 Å²	114	61 Å²	61	61%	0.61	32%	0.319	S	S	*	.			trans	49.3	38	-178.1	-160.7	27.5	0	0	0	114.9	V273 K274	V273-N276 PolarHBondContact O-N 2.91Å; K274-N276 VanDerWaalsContact C-N 3.31Å; K274-N276 PolarHBondContact O-N 2.91Å
277	C	76.1	Confident	82.4	Confident	19 Å²	19	62.9 Å²	62.9	13%	0.128	33%	0.333	C	S	.	.			trans	-140.1	75.7	180	-168	0	0	0	0	112.1	K193 R240 G275	K193-C277 PolarHBondContact NZ-SG 3.4Å; R240-C277 VanDerWaalsContact CD-O 3.29Å; R240-C277 WeakPolarHBondContact CD-O 3.3Å; R240-C277 HydrophobicContact CG-CB 4.46Å; R240-C277 VanDerWaalsContact CG-O 3.28Å; R240-C277 WeakPolarHBondContact CG-O 3.38Å; G275-C277 VanDerWaalsContact C-N 3.25Å; G275-C277 PolarHBondContact O-N 2.83Å
278	P	71.4	Confident	82.8	Confident	47 Å²	47	59 Å²	59	31%	0.305	32%	0.317	S	S	.	.			trans	-73.3	-33.3	-176	27.4	-33.4	0	0	0	113.3	T266	T266-P278 WeakPolarHBondContact OG1-CB 3.32Å
279	K	75	Confident	83.1	Confident	159 Å²	159	56 Å²	56	69%	0.691	30%	0.302	S	S	*	.			trans	-121.8	140.7	-179.2	-72.3	-172.5	177	-179.4	0	112.2
280	V	78	Confident	83.3	Confident	16 Å²	16	63 Å²	63	10%	0.097	33%	0.332	C	S	.	.			trans	-124.8	125.7	176.9	-174.9	0	0	0	0	108.2	K193 D198 S282 I283	K193-V280 HydrophobicContact CD-CG2 3.74Å; K193-V280 HydrophobicContact CG-CG2 4.13Å; D198-V280 HydrophobicContact CB-CG1 4.46Å; V280-S282 VanDerWaalsContact C-N 3.26Å; V280-S282 WeakPolarHBondContact CG1-OG 3.46Å; V280-S282 PolarHBondContact O-N 2.98Å; V280-I283 HydrophobicContact CB-CB 4.4Å; V280-I283 HydrophobicContact CB-CD1 4.46Å; V280-I283 HydrophobicContact CG1-CD1 4.31Å; V280-I283 HydrophobicContact CG1-CG1 4.33Å; V280-I283 PolarHBondContact O-N 3.08Å
281	S	73.3	Confident	83.5	Confident	136 Å²	136	62.1 Å²	62.1	95%	0.951	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-24.5	-173.8	51.2	0	0	0	0	114.6
282	S	72.9	Confident	83.6	Confident	73 Å²	73	62.3 Å²	62.3	51%	0.51	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-11.3	-179.7	53.9	0	0	0	0	114.2	D198 V280	D198-S282 VanDerWaalsContact CG-OG 3.27Å; D198-S282 PolarHBondContact OD2-OG 3.05Å; V280-S282 VanDerWaalsContact C-N 3.26Å; V280-S282 WeakPolarHBondContact CG1-OG 3.46Å; V280-S282 PolarHBondContact O-N 2.98Å
283	I	83.2	Confident	83.9	Confident	33 Å²	33	66 Å²	66	17%	0.169	35%	0.348	C	S	.	.			trans	-117.5	136.5	-173.9	-61.4	175.3	0	0	0	109.6	D198 V280 D285 D288	D198-I283 HydrophobicContact CB-CD1 3.88Å; D198-I283 HydrophobicContact CB-CG1 4.38Å; D198-I283 WeakPolarHBondContact O-CD1 3.39Å; V280-I283 HydrophobicContact CB-CB 4.4Å; V280-I283 HydrophobicContact CB-CD1 4.46Å; V280-I283 HydrophobicContact CG1-CD1 4.31Å; V280-I283 HydrophobicContact CG1-CG1 4.33Å; V280-I283 PolarHBondContact O-N 3.08Å; I283-D285 WeakPolarHBondContact CG2-OD1 3.3Å; I283-D288 WeakPolarHBondContact CG2-OD2 3.48Å
284	N	88.6	Confident	84.3	Confident	93 Å²	93	69.9 Å²	69.9	50%	0.497	36%	0.359	S	S	.	.			trans	-115.7	87.1	173.5	-175.7	-17.8	0	0	0	109.4	R286 S287 D288	N284-R286 PolarHBondContact O-N 3.16Å; N284-R286 PolarHBondContact OD1-N 3.5Å; N284-S287 VanDerWaalsContact CB-OG 3.27Å; N284-S287 WeakPolarHBondContact CB-OG 3.12Å; N284-S287 VanDerWaalsContact CG-OG 3.28Å; N284-S287 PolarHBondContact O-N 2.88Å; N284-S287 PolarHBondContact O-OG 3.32Å; N284-S287 PolarHBondContact OD1-N 3.47Å; N284-D288 VanDerWaalsContact O-CG 3.24Å; N284-D288 PolarHBondContact O-N 3.23Å
285	D	89.8	Confident	85	Confident	15 Å²	15	66.3 Å²	66.3	8%	0.08	34%	0.344	C	S	.	.	H	α-helix	trans	-57.2	-28.7	-175.3	-63.8	-61.6	0	0	0	112.1	R240 Q247 E250 I283 W289	R240-D285 IonicContact CZ-OD1 3.78Å; R240-D285 IonicContact CZ-OD2 3.5Å; R240-D285 IonicContact NH1-OD1 2.73Å; R240-D285 PolarHBondContact NH1-OD1 2.98Å; R240-D285 IonicContact NH1-OD2 3.64Å; R240-D285 PolarHBondContact NH1-OD2 2.94Å; R240-D285 IonicContact NH2-OD1 2.85Å; R240-D285 PolarHBondContact NH2-OD1 3.39Å; Q247-D285 HydrophobicContact CG-CB 4.19Å; E250-D285 HydrophobicContact CB-CB 4.29Å; I283-D285 WeakPolarHBondContact CG2-OD1 3.3Å; D285-W289 WeakPolarHBondContact O-CB 3.47Å; D285-W289 PolarHBondContact O-N 2.84Å
286	R	90	Very high	85.9	Confident	114 Å²	114	66.5 Å²	66.5	43%	0.43	35%	0.345	S	S	.	.	H	α-helix	trans	-71.9	-40.8	176.2	177.9	179.1	-67.6	-105.5	-4.6	113.2	E250 N284	E250-R286 PolarHBondContact O-NH2 3.21Å; N284-R286 PolarHBondContact O-N 3.16Å; N284-R286 PolarHBondContact OD1-N 3.5Å
287	S	91.9	Very high	86.5	Confident	50 Å²	50	65.4 Å²	65.4	35%	0.35	34%	0.342	S	S	.	.	H	α-helix	trans	-70.8	-39.4	174.5	56.6	0	0	0	0	111	N284 W289 K290 V291	N284-S287 VanDerWaalsContact CB-OG 3.27Å; N284-S287 WeakPolarHBondContact CB-OG 3.12Å; N284-S287 VanDerWaalsContact CG-OG 3.28Å; N284-S287 PolarHBondContact O-N 2.88Å; N284-S287 PolarHBondContact O-OG 3.32Å; N284-S287 PolarHBondContact OD1-N 3.47Å; S287-W289 VanDerWaalsContact C-N 3.32Å; S287-W289 PolarHBondContact O-N 3.44Å; S287-K290 WeakPolarHBondContact O-CB 3.44Å; S287-K290 PolarHBondContact O-N 3.34Å; S287-K290 VanDerWaalsContact O-N 3.1Å; S287-V291 PolarHBondContact O-N 3.25Å
288	D	91.3	Very high	87.1	Confident	53 Å²	53	67.2 Å²	67.2	28%	0.283	35%	0.352	S	S	.	.	H	α-helix	trans	-66.2	-37	-178	-62.1	-18.3	0	0	0	111.1	Q247 I283 N284 K290 V291 V292	Q247-D288 HydrophobicContact CG-CB 4.18Å; I283-D288 WeakPolarHBondContact CG2-OD2 3.48Å; N284-D288 VanDerWaalsContact O-CG 3.24Å; N284-D288 PolarHBondContact O-N 3.23Å; D288-K290 VanDerWaalsContact C-N 3.29Å; D288-K290 PolarHBondContact O-N 3.41Å; D288-V291 WeakPolarHBondContact O-CA 3.21Å; D288-V291 WeakPolarHBondContact O-CB 3.26Å; D288-V291 PolarHBondContact O-N 3.12Å; D288-V292 WeakPolarHBondContact O-CG2 3.49Å; D288-V292 PolarHBondContact O-N 2.61Å
289	W	93.8	Very high	87.9	Confident	17 Å²	17	65 Å²	65	6%	0.064	34%	0.338	C	S	.	.	H	α-helix	trans	-53.5	-43.5	170.3	177.6	-111.3	0	0	0	113.2	I244 Q247 M248 G251 L256 D285 S287 V291 V292 R293 L310	I244-W289 HydrophobicContact CD1-CE3 4.49Å; I244-W289 HydrophobicContact CD1-CZ3 3.96Å; Q247-W289 HydrophobicContact CB-CB 4.18Å; Q247-W289 HydrophobicContact CB-CE3 4.04Å; M248-W289 HydrophobicContact CB-CE3 4.39Å; M248-W289 HydrophobicContact CB-CH2 4.18Å; M248-W289 HydrophobicContact CB-CZ3 3.83Å; M248-W289 HydrophobicContact CG-CH2 4.11Å; M248-W289 HydrophobicContact CG-CZ3 4.27Å; G251-W289 PolarHBondContact O-NE1 3.22Å; L256-W289 HydrophobicContact CD2-CZ2 3.87Å; D285-W289 WeakPolarHBondContact O-CB 3.47Å; D285-W289 PolarHBondContact O-N 2.84Å; S287-W289 VanDerWaalsContact C-N 3.32Å; S287-W289 PolarHBondContact O-N 3.44Å; W289-V291 VanDerWaalsContact C-N 3.31Å; W289-V291 PolarHBondContact O-N 3.21Å; W289-V292 PolarHBondContact O-N 3.16Å; W289-R293 HydrophobicContact CD2-CG 4.22Å; W289-R293 HydrophobicContact CZ2-CG 4Å; W289-R293 WeakPolarHBondContact O-CB 3.39Å; W289-R293 WeakPolarHBondContact O-CG 2.98Å; W289-R293 PolarHBondContact O-N 3.14Å; W289-L310 HydrophobicContact CH2-CD1 3.86Å; W289-L310 HydrophobicContact CH2-CD2 3.67Å; W289-L310 HydrophobicContact CH2-CG 4.44Å; W289-L310 HydrophobicContact CZ2-CD1 4.34Å; W289-L310 HydrophobicContact CZ3-CD2 4.16Å
290	K	93.6	Very high	88.5	Confident	151 Å²	151	59.7 Å²	59.7	66%	0.657	33%	0.328	S	S	*	.	H	α-helix	trans	-65.2	-37.1	177.2	-64.9	-177.3	179	-175.5	0	111.7	S287 D288 K294	S287-K290 WeakPolarHBondContact O-CB 3.44Å; S287-K290 PolarHBondContact O-N 3.34Å; S287-K290 VanDerWaalsContact O-N 3.1Å; D288-K290 VanDerWaalsContact C-N 3.29Å; D288-K290 PolarHBondContact O-N 3.41Å; K290-K294 WeakPolarHBondContact O-CB 3.29Å; K290-K294 PolarHBondContact O-N 3.44Å; K290-K294 VanDerWaalsContact O-N 3.08Å
291	V	93	Very high	89.1	Confident	68 Å²	68	59.5 Å²	59.5	41%	0.412	33%	0.326	S	S	.	.	H	α-helix	trans	-65.4	-46.1	176.5	178.7	0	0	0	0	110.3	P184 S287 D288 W289 K294 A295	P184-V291 HydrophobicContact CB-CG1 3.96Å; P184-V291 HydrophobicContact CG-CG1 4.09Å; S287-V291 PolarHBondContact O-N 3.25Å; D288-V291 WeakPolarHBondContact O-CA 3.21Å; D288-V291 WeakPolarHBondContact O-CB 3.26Å; D288-V291 PolarHBondContact O-N 3.12Å; W289-V291 VanDerWaalsContact C-N 3.31Å; W289-V291 PolarHBondContact O-N 3.21Å; V291-K294 PolarHBondContact O-N 3.41Å; V291-A295 WeakPolarHBondContact O-CB 3.32Å; V291-A295 PolarHBondContact O-N 3.35Å
292	V	93.9	Very high	90.1	Very high	4 Å²	4	55.5 Å²	55.5	2%	0.024	30%	0.298	C	S	.	.	H	α-helix	trans	-62.9	-47.1	178.6	174.2	0	0	0	0	111.4	A188 I244 D288 W289 K294 A295 L296	A188-V292 HydrophobicContact CB-CG1 4.37Å; A188-V292 HydrophobicContact CB-CG2 3.67Å; I244-V292 HydrophobicContact CD1-CG1 4.43Å; D288-V292 WeakPolarHBondContact O-CG2 3.49Å; D288-V292 PolarHBondContact O-N 2.61Å; W289-V292 PolarHBondContact O-N 3.16Å; V292-K294 VanDerWaalsContact C-N 3.34Å; V292-K294 PolarHBondContact O-N 3.41Å; V292-A295 PolarHBondContact O-N 2.99Å; V292-A295 VanDerWaalsContact O-N 3.15Å; V292-L296 HydrophobicContact CG1-CD1 4.17Å; V292-L296 WeakPolarHBondContact O-CG 3.3Å; V292-L296 PolarHBondContact O-N 3.33Å
293	R	92.9	Very high	90.9	Very high	83 Å²	83	57.3 Å²	57.3	31%	0.313	30%	0.302	S	S	.	.	H	α-helix	trans	-56	-47.6	175.5	-76.9	-73.2	-59.8	-173.3	7.7	111.7	W289 A295 L296 T297 D303 V306	W289-R293 HydrophobicContact CD2-CG 4.22Å; W289-R293 HydrophobicContact CZ2-CG 4Å; W289-R293 WeakPolarHBondContact O-CB 3.39Å; W289-R293 WeakPolarHBondContact O-CG 2.98Å; W289-R293 PolarHBondContact O-N 3.14Å; R293-A295 VanDerWaalsContact C-N 3.34Å; R293-A295 PolarHBondContact O-N 3.3Å; R293-L296 PolarHBondContact O-N 3.48Å; R293-T297 PolarHBondContact O-N 2.99Å; R293-T297 PolarHBondContact O-OG1 3.15Å; R293-D303 IonicContact NH2-OD1 3.18Å; R293-V306 VanDerWaalsContact NH1-CG1 3.26Å
294	K	92.3	Very high	91.2	Very high	146 Å²	146	60.8 Å²	60.8	64%	0.635	32%	0.321	S	S	*	.	H	α-helix	trans	-62.9	-40.7	177.1	-174.1	179.2	-179.5	-179.5	0	111.9	K290 V291 V292 T297 V298	K290-K294 WeakPolarHBondContact O-CB 3.29Å; K290-K294 PolarHBondContact O-N 3.44Å; K290-K294 VanDerWaalsContact O-N 3.08Å; V291-K294 PolarHBondContact O-N 3.41Å; V292-K294 VanDerWaalsContact C-N 3.34Å; V292-K294 PolarHBondContact O-N 3.41Å; K294-T297 PolarHBondContact O-N 3.05Å; K294-V298 WeakPolarHBondContact O-CG2 3.46Å; K294-V298 PolarHBondContact O-N 3.31Å; K294-V298 VanDerWaalsContact O-N 3.14Å
295	A	92.3	Very high	91.4	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-64.7	-43.6	179.8	0	0	0	0	0	112	Q181 P184 V185 V291 V292 R293 T297 V298 I299	Q181-A295 HydrophobicContact CB-CB 4.24Å; Q181-A295 WeakPolarHBondContact O-CB 3.39Å; P184-A295 HydrophobicContact CB-CB 4.34Å; V185-A295 HydrophobicContact CG2-CB 3.71Å; V291-A295 WeakPolarHBondContact O-CB 3.32Å; V291-A295 PolarHBondContact O-N 3.35Å; V292-A295 PolarHBondContact O-N 2.99Å; V292-A295 VanDerWaalsContact O-N 3.15Å; R293-A295 VanDerWaalsContact C-N 3.34Å; R293-A295 PolarHBondContact O-N 3.3Å; A295-T297 VanDerWaalsContact C-N 3.3Å; A295-T297 PolarHBondContact O-N 3.02Å; A295-V298 PolarHBondContact O-N 3.49Å; A295-V298 VanDerWaalsContact O-N 3.14Å; A295-I299 WeakPolarHBondContact O-CD1 3.01Å; A295-I299 VanDerWaalsContact O-CG1 3.23Å; A295-I299 WeakPolarHBondContact O-CG1 3.48Å; A295-I299 PolarHBondContact O-N 3.4Å
296	L	92.5	Very high	91.5	Very high	6 Å²	6	57.8 Å²	57.8	3%	0.031	30%	0.304	C	S	.	.	H	α-helix	trans	-56.5	-43.7	175.3	-71.5	168.3	0	0	0	111.6	V185 V292 R293 V298 I299 G300 F301 V306	V185-L296 HydrophobicContact CG1-CD2 3.96Å; V185-L296 HydrophobicContact CG2-CD2 4.02Å; V185-L296 HydrophobicContact CG2-CG 4.14Å; V292-L296 HydrophobicContact CG1-CD1 4.17Å; V292-L296 WeakPolarHBondContact O-CG 3.3Å; V292-L296 PolarHBondContact O-N 3.33Å; R293-L296 PolarHBondContact O-N 3.48Å; L296-V298 PolarHBondContact O-N 2.86Å; L296-I299 PolarHBondContact O-N 3.45Å; L296-G300 PolarHBondContact O-N 3.17Å; L296-F301 HydrophobicContact CB-CB 4.4Å; L296-F301 HydrophobicContact CB-CD2 4.36Å; L296-F301 HydrophobicContact CD2-CD1 4.4Å; L296-F301 HydrophobicContact CD2-CD2 3.76Å; L296-F301 HydrophobicContact CD2-CE1 4.48Å; L296-F301 HydrophobicContact CD2-CE2 3.87Å; L296-F301 HydrophobicContact CD2-CG 4.05Å; L296-F301 HydrophobicContact CD2-CZ 4.25Å; L296-F301 WeakPolarHBondContact O-CD2 3.48Å; L296-F301 PolarHBondContact O-N 3.4Å; L296-F301 VanDerWaalsContact O-N 3.12Å; L296-V306 HydrophobicContact CB-CG2 4.24Å; L296-V306 HydrophobicContact CD1-CG1 4.22Å; L296-V306 HydrophobicContact CD1-CG2 4.25Å
297	T	90.9	Very high	91.6	Very high	90 Å²	90	56 Å²	56	55%	0.552	30%	0.3	S	S	*	.	H	α-helix	trans	-62.6	-42.2	175.8	-49.1	0	0	0	0	112.5	R293 K294 A295 G300	R293-T297 PolarHBondContact O-N 2.99Å; R293-T297 PolarHBondContact O-OG1 3.15Å; K294-T297 PolarHBondContact O-N 3.05Å; A295-T297 VanDerWaalsContact C-N 3.3Å; A295-T297 PolarHBondContact O-N 3.02Å; T297-G300 PolarHBondContact O-N 3.27Å
298	V	88.3	Confident	91.6	Very high	57 Å²	57	55.3 Å²	55.3	35%	0.345	29%	0.291	S	S	.	.	H	α-helix	trans	-68.6	-36.2	-179.4	173.3	0	0	0	0	112.3	Q181 K294 A295 L296 G300	Q181-V298 HydrophobicContact CB-CB 4.49Å; Q181-V298 HydrophobicContact CB-CG1 4.29Å; Q181-V298 HydrophobicContact CG-CB 4.19Å; Q181-V298 HydrophobicContact CG-CG1 3.84Å; K294-V298 WeakPolarHBondContact O-CG2 3.46Å; K294-V298 PolarHBondContact O-N 3.31Å; K294-V298 VanDerWaalsContact O-N 3.14Å; A295-V298 PolarHBondContact O-N 3.49Å; A295-V298 VanDerWaalsContact O-N 3.14Å; L296-V298 PolarHBondContact O-N 2.86Å; V298-G300 PolarHBondContact O-N 2.95Å
299	I	88.6	Confident	91.7	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-67.7	-27.1	176.9	-63.6	161.7	0	0	0	110.7	Q181 V185 A295 L296 F301 I401 S404	Q181-I299 HydrophobicContact CB-CG1 4.47Å; V185-I299 HydrophobicContact CB-CD1 4.36Å; V185-I299 HydrophobicContact CG2-CD1 3.71Å; A295-I299 WeakPolarHBondContact O-CD1 3.01Å; A295-I299 VanDerWaalsContact O-CG1 3.23Å; A295-I299 WeakPolarHBondContact O-CG1 3.48Å; A295-I299 PolarHBondContact O-N 3.4Å; L296-I299 PolarHBondContact O-N 3.45Å; I299-F301 HydrophobicContact CB-CD2 4.1Å; I299-F301 HydrophobicContact CB-CE2 4.15Å; I299-F301 HydrophobicContact CG2-CD2 4.02Å; I299-F301 HydrophobicContact CG2-CE2 3.68Å; I299-I401 HydrophobicContact CD1-CG1 4.5Å; I299-I401 HydrophobicContact CG2-CG1 4.11Å; I299-S404 WeakPolarHBondContact CG2-OG 3.43Å; I299-S404 WeakPolarHBondContact O-CB 3.2Å
300	G	87.6	Confident	91.7	Very high	47 Å²	47	52.2 Å²	52.2	49%	0.485	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	104.3	30.8	175.2	0	0	0	0	0	114	L296 T297 V298	L296-G300 PolarHBondContact O-N 3.17Å; T297-G300 PolarHBondContact O-N 3.27Å; V298-G300 PolarHBondContact O-N 2.95Å
301	F	91.6	Very high	91.7	Very high	12 Å²	12	46.6 Å²	46.6	5%	0.053	25%	0.254	C	S	.	.			trans	-73.2	137	166.2	-72.7	-100.7	0	0	0	109.9	L296 I299 E305 V306 W396 L397 K400 I401	L296-F301 HydrophobicContact CB-CB 4.4Å; L296-F301 HydrophobicContact CB-CD2 4.36Å; L296-F301 HydrophobicContact CD2-CD1 4.4Å; L296-F301 HydrophobicContact CD2-CD2 3.76Å; L296-F301 HydrophobicContact CD2-CE1 4.48Å; L296-F301 HydrophobicContact CD2-CE2 3.87Å; L296-F301 HydrophobicContact CD2-CG 4.05Å; L296-F301 HydrophobicContact CD2-CZ 4.25Å; L296-F301 WeakPolarHBondContact O-CD2 3.48Å; L296-F301 PolarHBondContact O-N 3.4Å; L296-F301 VanDerWaalsContact O-N 3.12Å; I299-F301 HydrophobicContact CB-CD2 4.1Å; I299-F301 HydrophobicContact CB-CE2 4.15Å; I299-F301 HydrophobicContact CG2-CD2 4.02Å; I299-F301 HydrophobicContact CG2-CE2 3.68Å; F301-E305 HydrophobicContact CD1-CB 4.39Å; F301-V306 HydrophobicContact CB-CG2 3.78Å; F301-W396 HydrophobicContact CD1-CH2 4.45Å; F301-W396 AromaticContact CE1-CH2 3.94Å; F301-W396 HydrophobicContact CE1-CH2 3.94Å; F301-W396 AromaticContact CE1-CZ3 3.86Å; F301-W396 HydrophobicContact CE1-CZ3 3.86Å; F301-L397 HydrophobicContact CE1-CD1 3.88Å; F301-L397 HydrophobicContact CZ-CD1 3.59Å; F301-K400 HydrophobicContact CD1-CG 4.3Å; F301-K400 HydrophobicContact CE1-CB 4.21Å; F301-K400 HydrophobicContact CE1-CG 3.6Å; F301-K400 HydrophobicContact CE2-CG 4.29Å; F301-K400 HydrophobicContact CZ-CB 3.99Å; F301-K400 HydrophobicContact CZ-CG 3.59Å; F301-I401 HydrophobicContact CE2-CG1 4.35Å; F301-I401 HydrophobicContact CZ-CG1 4.48Å
302	S	92.4	Very high	91.7	Very high	51 Å²	51	43.4 Å²	43.4	36%	0.357	23%	0.234	S	C	.	.			trans	-75.7	157.5	169.9	69.1	0	0	0	0	111	D304 E305 V306	S302-D304 PolarHBondContact O-N 2.87Å; S302-E305 PolarHBondContact N-OE2 2.76Å; S302-E305 PolarHBondContact O-N 2.8Å; S302-E305 VanDerWaalsContact O-N 3.16Å; S302-E305 WeakPolarHBondContact OG-CB 3.38Å; S302-E305 VanDerWaalsContact OG-CG 3.27Å; S302-E305 WeakPolarHBondContact OG-CG 3.37Å; S302-E305 PolarHBondContact OG-N 3.3Å; S302-E305 VanDerWaalsContact OG-N 3.14Å; S302-V306 WeakPolarHBondContact O-CG2 3.47Å; S302-V306 PolarHBondContact O-N 3.06Å
303	D	90.3	Very high	91.8	Very high	111 Å²	111	43.2 Å²	43.2	59%	0.594	23%	0.233	S	C	*	.	H	α-helix	trans	-60	-35.6	176.7	-73.8	-44.9	0	0	0	111.8	R293 V306 E307	R293-D303 IonicContact NH2-OD1 3.18Å; D303-V306 PolarHBondContact O-N 3.16Å; D303-E307 PolarHBondContact O-N 3.14Å
304	D	90.8	Very high	91.8	Very high	106 Å²	106	39.2 Å²	39.2	57%	0.567	22%	0.218	S	C	*	.	H	α-helix	trans	-62.1	-45.8	173.7	-59.7	-19.4	0	0	0	111.9	S302 V306 E307 E308	S302-D304 PolarHBondContact O-N 2.87Å; D304-V306 VanDerWaalsContact C-N 3.3Å; D304-V306 PolarHBondContact O-N 2.8Å; D304-E307 PolarHBondContact O-N 3.18Å; D304-E308 WeakPolarHBondContact O-CG 3.23Å; D304-E308 PolarHBondContact O-N 3.43Å
305	E	91.6	Very high	91.9	Very high	42 Å²	42	32.3 Å²	32.3	20%	0.196	19%	0.188	C	C	.	.	H	α-helix	trans	-64.2	-37.2	177.3	-75.4	175.9	156.1	0	0	111.3	F301 S302 L309 K400	F301-E305 HydrophobicContact CD1-CB 4.39Å; S302-E305 PolarHBondContact N-OE2 2.76Å; S302-E305 PolarHBondContact O-N 2.8Å; S302-E305 VanDerWaalsContact O-N 3.16Å; S302-E305 WeakPolarHBondContact OG-CB 3.38Å; S302-E305 VanDerWaalsContact OG-CG 3.27Å; S302-E305 WeakPolarHBondContact OG-CG 3.37Å; S302-E305 PolarHBondContact OG-N 3.3Å; S302-E305 VanDerWaalsContact OG-N 3.14Å; E305-L309 WeakPolarHBondContact O-CB 3.21Å; E305-L309 PolarHBondContact O-N 2.97Å; E305-K400 VanDerWaalsContact CD-NZ 3.29Å; E305-K400 WeakPolarHBondContact OE1-CE 3.46Å; E305-K400 IonicContact OE1-NZ 2.73Å; E305-K400 PolarHBondContact OE1-NZ 3.02Å; E305-K400 WeakPolarHBondContact OE2-CE 3.46Å; E305-K400 IonicContact OE2-NZ 2.61Å; E305-K400 PolarHBondContact OE2-NZ 3.23Å
306	V	92.5	Very high	92	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.024	19%	0.188	C	C	.	.	H	α-helix	trans	-67.1	-40.9	175.3	177.6	0	0	0	0	110.5	R293 L296 F301 S302 D303 D304 L309 L310	R293-V306 VanDerWaalsContact NH1-CG1 3.26Å; L296-V306 HydrophobicContact CB-CG2 4.24Å; L296-V306 HydrophobicContact CD1-CG1 4.22Å; L296-V306 HydrophobicContact CD1-CG2 4.25Å; F301-V306 HydrophobicContact CB-CG2 3.78Å; S302-V306 WeakPolarHBondContact O-CG2 3.47Å; S302-V306 PolarHBondContact O-N 3.06Å; D303-V306 PolarHBondContact O-N 3.16Å; D304-V306 VanDerWaalsContact C-N 3.3Å; D304-V306 PolarHBondContact O-N 2.8Å; V306-L309 PolarHBondContact O-N 2.8Å; V306-L310 HydrophobicContact CG1-CD1 4.01Å; V306-L310 HydrophobicContact CG1-CG 4.33Å; V306-L310 WeakPolarHBondContact O-CB 3.22Å; V306-L310 WeakPolarHBondContact O-CG 3.48Å; V306-L310 PolarHBondContact O-N 3.5Å
307	E	91.1	Very high	92	Very high	76 Å²	76	32 Å²	32	36%	0.355	19%	0.186	S	C	.	.	H	α-helix	trans	-64.9	-47.3	176.2	-174.3	162	-150.5	0	0	111.8	R259 D303 D304 L309 L310 N311	R259-E307 IonicContact NE-OE1 3.82Å; D303-E307 PolarHBondContact O-N 3.14Å; D304-E307 PolarHBondContact O-N 3.18Å; E307-L309 VanDerWaalsContact C-N 3.29Å; E307-L309 PolarHBondContact O-N 2.96Å; E307-L310 PolarHBondContact O-N 2.72Å; E307-N311 PolarHBondContact O-N 2.95Å; E307-N311 PolarHBondContact O-ND2 3.48Å
308	E	92	Very high	92.1	Very high	35 Å²	35	28 Å²	28	16%	0.164	16%	0.161	C	C	.	.	H	α-helix	trans	-58.3	-40.6	174.9	-74.1	-178.7	-171.3	0	0	112	D304 N311 I312 N580 K581 I582	D304-E308 WeakPolarHBondContact O-CG 3.23Å; D304-E308 PolarHBondContact O-N 3.43Å; E308-N311 PolarHBondContact O-N 2.89Å; E308-I312 WeakPolarHBondContact O-CG1 3.17Å; E308-I312 PolarHBondContact O-N 3.15Å; E308-N580 PolarHBondContact O-ND2 3.25Å; E308-K581 IonicContact OE1-NZ 3.96Å; E308-K581 WeakPolarHBondContact OE2-CB 3.26Å; E308-I582 HydrophobicContact CB-CD1 3.73Å; E308-I582 HydrophobicContact CB-CG1 4.24Å
309	L	93.6	Very high	92.3	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-64	-46.2	176	177	64.5	0	0	0	111.4	F189 E305 V306 E307 N311 I312 I313 T393 L397 I582	F189-L309 HydrophobicContact CE1-CD1 4.18Å; F189-L309 HydrophobicContact CE1-CD2 4.4Å; F189-L309 HydrophobicContact CE1-CG 4.42Å; F189-L309 HydrophobicContact CZ-CD1 4.4Å; F189-L309 HydrophobicContact CZ-CD2 3.81Å; F189-L309 HydrophobicContact CZ-CG 4.19Å; E305-L309 WeakPolarHBondContact O-CB 3.21Å; E305-L309 PolarHBondContact O-N 2.97Å; V306-L309 PolarHBondContact O-N 2.8Å; E307-L309 VanDerWaalsContact C-N 3.29Å; E307-L309 PolarHBondContact O-N 2.96Å; L309-N311 VanDerWaalsContact C-N 3.32Å; L309-N311 PolarHBondContact O-N 2.92Å; L309-I312 WeakPolarHBondContact O-CB 3.48Å; L309-I312 PolarHBondContact O-N 3.1Å; L309-I313 WeakPolarHBondContact O-CG1 3.36Å; L309-I313 PolarHBondContact O-N 3.25Å; L309-I313 VanDerWaalsContact O-N 3.08Å; L309-T393 HydrophobicContact CD1-CG2 3.42Å; L309-T393 VanDerWaalsContact CD1-CG2 3.42Å; L309-L397 HydrophobicContact CD2-CD1 3.93Å; L309-I582 HydrophobicContact CB-CD1 3.99Å
310	L	93.4	Very high	92.3	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.021	14%	0.144	C	C	.	.	H	α-helix	trans	-67.6	-33.4	179.3	-66.9	176.6	0	0	0	112	M248 L256 L260 W289 V306 E307 I312 I313 A314	M248-L310 HydrophobicContact SD-CD2 3.95Å; L256-L310 HydrophobicContact CD1-CD1 4.34Å; L256-L310 HydrophobicContact CD2-CD1 4.16Å; L260-L310 HydrophobicContact CD1-CB 4.39Å; L260-L310 HydrophobicContact CD2-CB 4.38Å; W289-L310 HydrophobicContact CH2-CD1 3.86Å; W289-L310 HydrophobicContact CH2-CD2 3.67Å; W289-L310 HydrophobicContact CH2-CG 4.44Å; W289-L310 HydrophobicContact CZ2-CD1 4.34Å; W289-L310 HydrophobicContact CZ3-CD2 4.16Å; V306-L310 HydrophobicContact CG1-CD1 4.01Å; V306-L310 HydrophobicContact CG1-CG 4.33Å; V306-L310 WeakPolarHBondContact O-CB 3.22Å; V306-L310 WeakPolarHBondContact O-CG 3.48Å; V306-L310 PolarHBondContact O-N 3.5Å; E307-L310 PolarHBondContact O-N 2.72Å; L310-I312 VanDerWaalsContact C-N 3.31Å; L310-I312 PolarHBondContact O-N 3.02Å; L310-I313 PolarHBondContact O-N 3.37Å; L310-A314 WeakPolarHBondContact O-CB 3.24Å; L310-A314 PolarHBondContact O-N 3.32Å
311	N	93.8	Very high	92.5	Very high	34 Å²	34	24.2 Å²	24.2	18%	0.182	13%	0.128	C	C	.	.	H	α-helix	trans	-59.1	-43.4	172	-70.3	-22.2	0	0	0	111.2	L260 E307 E308 L309 A314 S315 L345	L260-N311 WeakPolarHBondContact CD2-OD1 3.37Å; E307-N311 PolarHBondContact O-N 2.95Å; E307-N311 PolarHBondContact O-ND2 3.48Å; E308-N311 PolarHBondContact O-N 2.89Å; L309-N311 VanDerWaalsContact C-N 3.32Å; L309-N311 PolarHBondContact O-N 2.92Å; N311-A314 PolarHBondContact O-N 3.36Å; N311-S315 WeakPolarHBondContact O-CB 3.48Å; N311-S315 PolarHBondContact O-N 2.7Å; N311-L345 HydrophobicContact CB-CD2 4.21Å
312	I	93.9	Very high	92.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.7	-46.5	176	-63.1	164.4	0	0	0	110.9	E308 L309 L310 A314 S315 V316 V389 T393 I582 L583	E308-I312 WeakPolarHBondContact O-CG1 3.17Å; E308-I312 PolarHBondContact O-N 3.15Å; L309-I312 WeakPolarHBondContact O-CB 3.48Å; L309-I312 PolarHBondContact O-N 3.1Å; L310-I312 VanDerWaalsContact C-N 3.31Å; L310-I312 PolarHBondContact O-N 3.02Å; I312-A314 PolarHBondContact O-N 2.79Å; I312-S315 WeakPolarHBondContact O-CB 3.48Å; I312-S315 PolarHBondContact O-N 3Å; I312-S315 PolarHBondContact O-OG 3.02Å; I312-V316 PolarHBondContact O-N 3.05Å; I312-V389 HydrophobicContact CG2-CG1 3.45Å; I312-V389 VanDerWaalsContact CG2-CG1 3.45Å; I312-T393 HydrophobicContact CD1-CG2 4.47Å; I312-T393 HydrophobicContact CG2-CG2 4.25Å; I312-T393 WeakPolarHBondContact CG2-OG1 3.22Å; I312-I582 HydrophobicContact CD1-CB 3.73Å; I312-I582 HydrophobicContact CD1-CG2 3.6Å; I312-L583 HydrophobicContact CD1-CD1 4.48Å; I312-L583 HydrophobicContact CD1-CD2 4.1Å; I312-L583 HydrophobicContact CD1-CG 3.79Å; I312-L583 HydrophobicContact CG1-CD1 4.07Å; I312-L583 HydrophobicContact CG1-CD2 4.2Å; I312-L583 HydrophobicContact CG1-CG 3.9Å; I312-L583 HydrophobicContact CG2-CD2 4.36Å
313	I	94.5	Very high	92.2	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.8	-40.4	179.9	-60.9	-52.1	0	0	0	111.7	F189 I244 F245 M248 L309 L310 S315 V316 Y390	F189-I313 HydrophobicContact CD1-CD1 4.26Å; F189-I313 HydrophobicContact CE1-CD1 3.78Å; F189-I313 HydrophobicContact CE1-CG1 3.81Å; I244-I313 HydrophobicContact CG1-CG2 4.48Å; I244-I313 HydrophobicContact CG2-CG2 4.46Å; F245-I313 HydrophobicContact CD1-CG2 3.65Å; F245-I313 HydrophobicContact CE1-CG2 3.53Å; F245-I313 HydrophobicContact CZ-CG2 4.44Å; M248-I313 HydrophobicContact CE-CG2 3.84Å; M248-I313 HydrophobicContact SD-CG2 4.41Å; L309-I313 WeakPolarHBondContact O-CG1 3.36Å; L309-I313 PolarHBondContact O-N 3.25Å; L309-I313 VanDerWaalsContact O-N 3.08Å; L310-I313 PolarHBondContact O-N 3.37Å; I313-S315 VanDerWaalsContact C-N 3.33Å; I313-S315 PolarHBondContact O-N 3.37Å; I313-V316 PolarHBondContact O-N 3.12Å; I313-Y390 HydrophobicContact CD1-CD2 3.87Å; I313-Y390 HydrophobicContact CD1-CE2 3.81Å
314	A	94	Very high	92.1	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-62.9	-39.8	173.5	0	0	0	0	0	111.7	L260 L262 L310 N311 I312 V316 L317 H318 L345	L260-A314 HydrophobicContact CB-CB 4.01Å; L260-A314 HydrophobicContact CD1-CB 4.44Å; L260-A314 HydrophobicContact CD2-CB 3.9Å; L260-A314 HydrophobicContact CG-CB 4.34Å; L262-A314 HydrophobicContact CD1-CB 3.9Å; L262-A314 HydrophobicContact CD2-CB 4.44Å; L262-A314 HydrophobicContact CG-CB 4.29Å; L310-A314 WeakPolarHBondContact O-CB 3.24Å; L310-A314 PolarHBondContact O-N 3.32Å; N311-A314 PolarHBondContact O-N 3.36Å; I312-A314 PolarHBondContact O-N 2.79Å; A314-V316 VanDerWaalsContact C-N 3.26Å; A314-V316 PolarHBondContact O-N 3.25Å; A314-L317 WeakPolarHBondContact O-CB 3.49Å; A314-L317 PolarHBondContact O-N 3.23Å; A314-L317 VanDerWaalsContact O-N 3.08Å; A314-H318 PolarHBondContact O-CD2 3.29Å; A314-H318 VanDerWaalsContact O-CD2 3.23Å; A314-H318 PolarHBondContact O-N 3.22Å; A314-H318 VanDerWaalsContact O-N 3.08Å; A314-L345 HydrophobicContact CB-CD1 4.04Å
315	S	94.2	Very high	91.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-59.5	-36.4	177.6	82	0	0	0	0	112.4	N311 I312 I313 L317 H318 L319 L342 L346	N311-S315 WeakPolarHBondContact O-CB 3.48Å; N311-S315 PolarHBondContact O-N 2.7Å; I312-S315 WeakPolarHBondContact O-CB 3.48Å; I312-S315 PolarHBondContact O-N 3Å; I312-S315 PolarHBondContact O-OG 3.02Å; I313-S315 VanDerWaalsContact C-N 3.33Å; I313-S315 PolarHBondContact O-N 3.37Å; S315-L317 VanDerWaalsContact C-N 3.31Å; S315-L317 PolarHBondContact O-N 3.47Å; S315-H318 PolarHBondContact O-N 3.5Å; S315-L319 WeakPolarHBondContact O-CB 3.34Å; S315-L319 WeakPolarHBondContact O-CG 3.49Å; S315-L319 PolarHBondContact O-N 3.27Å; S315-L342 WeakPolarHBondContact O-CD2 3.29Å; S315-L346 WeakPolarHBondContact OG-CD2 3.34Å
316	V	94.6	Very high	91.5	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64.1	-37.2	176.8	173.9	0	0	0	0	111.3	V232 F245 Y271 I312 I313 A314 G320 V389	V232-V316 HydrophobicContact CG1-CG1 3.53Å; F245-V316 HydrophobicContact CE1-CB 4.33Å; F245-V316 HydrophobicContact CE1-CG1 4.24Å; F245-V316 HydrophobicContact CZ-CB 4.5Å; F245-V316 HydrophobicContact CZ-CG1 4.02Å; Y271-V316 HydrophobicContact CD2-CG1 4.38Å; Y271-V316 VanDerWaalsContact CD2-O 3.32Å; Y271-V316 WeakPolarHBondContact CD2-O 3.38Å; Y271-V316 WeakPolarHBondContact CE2-O 3.4Å; I312-V316 PolarHBondContact O-N 3.05Å; I313-V316 PolarHBondContact O-N 3.12Å; A314-V316 VanDerWaalsContact C-N 3.26Å; A314-V316 PolarHBondContact O-N 3.25Å; V316-G320 PolarHBondContact O-N 3.47Å; V316-V389 HydrophobicContact CG2-CG1 4.06Å
317	L	93	Very high	90.9	Very high	1 Å²	1	29 Å²	29	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-68.6	-41.1	175.3	-66.5	178.7	0	0	0	111.9	F245 M248 I249 L262 Y269 L272 A314 S315 G320	F245-L317 HydrophobicContact CB-CD2 4.45Å; F245-L317 HydrophobicContact CD1-CD1 3.95Å; F245-L317 HydrophobicContact CD1-CD2 3.54Å; F245-L317 HydrophobicContact CD1-CG 3.66Å; F245-L317 HydrophobicContact CE1-CD2 3.92Å; F245-L317 HydrophobicContact CE1-CG 3.96Å; F245-L317 HydrophobicContact CG-CD2 4.11Å; M248-L317 HydrophobicContact CE-CD1 4.07Å; I249-L317 HydrophobicContact CD1-CD1 4.01Å; L262-L317 HydrophobicContact CD1-CD1 4.46Å; L262-L317 HydrophobicContact CD2-CB 4.47Å; L262-L317 HydrophobicContact CD2-CD1 4.14Å; Y269-L317 HydrophobicContact CD1-CB 3.79Å; Y269-L317 HydrophobicContact CE1-CB 4.22Å; Y269-L317 HydrophobicContact CG-CB 4.33Å; L272-L317 HydrophobicContact CD1-CD2 3.95Å; L272-L317 HydrophobicContact CD2-CD2 4.04Å; L272-L317 HydrophobicContact CG-CD2 3.86Å; A314-L317 WeakPolarHBondContact O-CB 3.49Å; A314-L317 PolarHBondContact O-N 3.23Å; A314-L317 VanDerWaalsContact O-N 3.08Å; S315-L317 VanDerWaalsContact C-N 3.31Å; S315-L317 PolarHBondContact O-N 3.47Å; L317-G320 PolarHBondContact O-N 3.01Å
318	H	92.9	Very high	90.3	Very high	4 Å²	4	34 Å²	34	2%	0.019	16%	0.164	C	C	.	.	H	α-helix	trans	-67.2	-36.1	175.7	-75.2	-70.2	0	0	0	112.5	L260 G261 A314 S315 G320 N321 V322 Q338 L342 L345	L260-H318 PolarHBondContact O-NE2 3.16Å; G261-H318 PolarHBondContact O-CE1 3.25Å; G261-H318 PolarHBondContact O-NE2 2.82Å; A314-H318 PolarHBondContact O-CD2 3.29Å; A314-H318 VanDerWaalsContact O-CD2 3.23Å; A314-H318 PolarHBondContact O-N 3.22Å; A314-H318 VanDerWaalsContact O-N 3.08Å; S315-H318 PolarHBondContact O-N 3.5Å; H318-G320 VanDerWaalsContact C-N 3.29Å; H318-G320 PolarHBondContact O-N 2.97Å; H318-N321 PolarHBondContact O-N 3.45Å; H318-V322 PolarHBondContact O-N 2.84Å; H318-Q338 PolarHBondContact ND1-OE1 2.99Å; H318-L342 HydrophobicContact CB-CD2 3.64Å; H318-L342 HydrophobicContact CB-CG 3.98Å; H318-L345 VanDerWaalsContact CD2-CD1 3.49Å; H318-L345 WeakPolarHBondContact CD2-CD1 3.23Å
319	L	91.4	Very high	89.5	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-57.1	-45.8	174.4	-84.8	169.7	0	0	0	110.1	S315 N321 V322 L342 R382 L385 S386	S315-L319 WeakPolarHBondContact O-CB 3.34Å; S315-L319 WeakPolarHBondContact O-CG 3.49Å; S315-L319 PolarHBondContact O-N 3.27Å; L319-N321 PolarHBondContact O-N 3.41Å; L319-N321 VanDerWaalsContact O-N 3.12Å; L319-V322 WeakPolarHBondContact O-CB 3.47Å; L319-V322 WeakPolarHBondContact O-CG2 3.32Å; L319-V322 PolarHBondContact O-N 2.97Å; L319-L342 HydrophobicContact CB-CD2 4.43Å; L319-L342 HydrophobicContact CD2-CD1 3.83Å; L319-L342 HydrophobicContact CD2-CD2 4.13Å; L319-L342 HydrophobicContact CG-CD1 4.23Å; L319-L342 HydrophobicContact CG-CD2 3.7Å; L319-R382 WeakPolarHBondContact O-CD 3.4Å; L319-L385 HydrophobicContact CD1-CD2 4.16Å; L319-L385 HydrophobicContact CD1-CG 4.24Å; L319-L385 HydrophobicContact CD2-CD2 3.99Å; L319-S386 WeakPolarHBondContact CB-OG 3.38Å
320	G	89.7	Confident	89.1	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.9	-21	178.4	0	0	0	0	0	115.1	Q270 V316 L317 H318 R382	Q270-G320 PolarHBondContact OE1-O 3.15Å; V316-G320 PolarHBondContact O-N 3.47Å; L317-G320 PolarHBondContact O-N 3.01Å; H318-G320 VanDerWaalsContact C-N 3.29Å; H318-G320 PolarHBondContact O-N 2.97Å; G320-R382 PolarHBondContact O-NH1 2.99Å
321	N	91.6	Very high	88.7	Confident	28 Å²	28	40.1 Å²	40.1	15%	0.15	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	2	178.3	-74.3	1.1	0	0	0	113.4	Q268 Y269 Q270 H318 L319 Q323 Q338	Q268-N321 PolarHBondContact O-ND2 3.2Å; Q268-N321 PolarHBondContact O-OD1 3.29Å; Y269-N321 WeakPolarHBondContact CA-OD1 3.38Å; Q270-N321 PolarHBondContact N-OD1 3.26Å; H318-N321 PolarHBondContact O-N 3.45Å; L319-N321 PolarHBondContact O-N 3.41Å; L319-N321 VanDerWaalsContact O-N 3.12Å; N321-Q323 PolarHBondContact O-N 3.43Å; N321-Q338 HydrophobicContact CB-CG 4.31Å
322	V	90	Very high	88.3	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.205	C	C	.	.			trans	-67	121.5	170.5	178.5	0	0	0	0	108.6	H318 L319 Y324 I333 Q338 I339 L342 R382	H318-V322 PolarHBondContact O-N 2.84Å; L319-V322 WeakPolarHBondContact O-CB 3.47Å; L319-V322 WeakPolarHBondContact O-CG2 3.32Å; L319-V322 PolarHBondContact O-N 2.97Å; V322-Y324 HydrophobicContact CG1-CE1 4.33Å; V322-Y324 HydrophobicContact CG1-CE2 4.22Å; V322-I333 HydrophobicContact CG1-CD1 4.21Å; V322-I333 HydrophobicContact CG1-CG1 4.41Å; V322-I333 HydrophobicContact CG1-CG2 3.98Å; V322-Q338 HydrophobicContact CG2-CB 4.41Å; V322-I339 HydrophobicContact CG2-CD1 4.27Å; V322-L342 HydrophobicContact CG2-CD1 3.61Å; V322-R382 PolarHBondContact O-NH1 3.33Å
323	Q	87.4	Confident	87.9	Confident	121 Å²	121	42.6 Å²	42.6	57%	0.565	21%	0.21	S	C	*	.			trans	-106.5	137.9	178.4	-68.9	-175.7	-10.2	0	0	109	N321 T334 S335	N321-Q323 PolarHBondContact O-N 3.43Å; Q323-T334 WeakPolarHBondContact CB-OG1 3.37Å; Q323-T334 PolarHBondContact O-N 2.82Å; Q323-T334 PolarHBondContact O-OG1 3.01Å; Q323-S335 PolarHBondContact N-OG 2.78Å; Q323-S335 VanDerWaalsContact N-OG 3.1Å
324	Y	87.7	Confident	87.5	Confident	28 Å²	28	46.2 Å²	46.2	11%	0.11	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	136.3	176.7	-61.6	-81.2	0	0	0	109.4	V322 A331 H332 I333 T358 A378 R382	V322-Y324 HydrophobicContact CG1-CE1 4.33Å; V322-Y324 HydrophobicContact CG1-CE2 4.22Å; Y324-A331 HydrophobicContact CD1-CB 4.2Å; Y324-H332 CarbonylContact C-O 3.48Å; Y324-H332 WeakPolarHBondContact CA-O 3.5Å; Y324-I333 HydrophobicContact CD1-CG1 3.94Å; Y324-I333 HydrophobicContact CE1-CD1 4.2Å; Y324-I333 HydrophobicContact CE1-CG1 3.73Å; Y324-T358 HydrophobicContact CE1-CG2 4.36Å; Y324-A378 HydrophobicContact CD1-CB 3.96Å; Y324-A378 HydrophobicContact CD2-CB 4.36Å; Y324-A378 HydrophobicContact CE1-CB 3.81Å; Y324-A378 HydrophobicContact CE2-CB 4.23Å; Y324-A378 HydrophobicContact CG-CB 4.23Å; Y324-A378 PolarHBondContact OH-O 2.89Å; Y324-R382 HydrophobicContact CE2-CB 4.25Å
325	G	85.3	Confident	86.9	Confident	15 Å²	15	46.9 Å²	46.9	16%	0.155	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	162.4	163.1	0	0	0	0	0	109.9	A331 H332	G325-A331 WeakPolarHBondContact O-CA 3.45Å; G325-H332 VanDerWaalsContact C-CE1 3.42Å; G325-H332 PolarHBondContact N-O 3.31Å; G325-H332 PolarHBondContact O-N 3.11Å; G325-H332 PolarHBondContact O-ND1 2.92Å
326	E	84.5	Confident	86.3	Confident	131 Å²	131	52 Å²	52	61%	0.612	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.9	124.2	175.8	-170.5	172.3	-167.4	0	0	108.9
327	E	80.5	Confident	85.9	Confident	130 Å²	130	56.3 Å²	56.3	61%	0.607	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.6	122.9	174.5	-168.7	168.8	-155.6	0	0	108	G329 Y330 H332	E327-G329 PolarHBondContact O-N 3.48Å; E327-G329 VanDerWaalsContact O-N 3.09Å; E327-Y330 PolarHBondContact N-O 3.32Å; E327-Y330 PolarHBondContact O-N 2.68Å; E327-H332 WeakPolarHBondContact CB-ND1 3.36Å; E327-H332 IonicContact OE2-ND1 3.86Å
328	E	77.8	Confident	85.6	Confident	182 Å²	182	58.1 Å²	58.1	85%	0.85	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	28.7	-175.7	-58.3	-171.9	166.8	0	0	115.3	Y330	E328-Y330 VanDerWaalsContact C-N 3.32Å
329	G	74.9	Confident	85.4	Confident	34 Å²	34	58.4 Å²	58.4	35%	0.351	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	3.9	-178.5	0	0	0	0	0	114.7	E327	E327-G329 PolarHBondContact O-N 3.48Å; E327-G329 VanDerWaalsContact O-N 3.09Å
330	Y	85.3	Confident	85.3	Confident	126 Å²	126	66 Å²	66	49%	0.494	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	151.1	176.8	-56.5	-62.5	0	0	0	111.6	E327 E328 P372	E327-Y330 PolarHBondContact N-O 3.32Å; E327-Y330 PolarHBondContact O-N 2.68Å; E328-Y330 VanDerWaalsContact C-N 3.32Å; Y330-P372 HydrophobicContact CD1-CB 3.51Å; Y330-P372 HydrophobicContact CD1-CG 3.44Å; Y330-P372 VanDerWaalsContact CD1-CG 3.44Å; Y330-P372 HydrophobicContact CD2-CG 4.5Å; Y330-P372 HydrophobicContact CE1-CB 3.98Å; Y330-P372 HydrophobicContact CE1-CG 3.33Å; Y330-P372 HydrophobicContact CE2-CG 4.4Å; Y330-P372 HydrophobicContact CG-CB 3.91Å; Y330-P372 HydrophobicContact CG-CG 4.04Å
331	A	85.5	Confident	85.3	Confident	9 Å²	9	70.2 Å²	70.2	7%	0.074	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	126.6	179.6	0	0	0	0	0	111.5	Y324 G325 T358 L373 A378	Y324-A331 HydrophobicContact CD1-CB 4.2Å; G325-A331 WeakPolarHBondContact O-CA 3.45Å; A331-T358 WeakPolarHBondContact O-CG2 3.47Å; A331-L373 PolarHBondContact N-O 3.17Å; A331-A378 HydrophobicContact CB-CB 3.51Å
332	H	85.7	Confident	85.3	Confident	67 Å²	67	68.9 Å²	68.9	31%	0.31	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	156.4	166.3	68.9	-91.8	0	0	0	110.1	Y324 G325 E327	Y324-H332 CarbonylContact C-O 3.48Å; Y324-H332 WeakPolarHBondContact CA-O 3.5Å; G325-H332 VanDerWaalsContact C-CE1 3.42Å; G325-H332 PolarHBondContact N-O 3.31Å; G325-H332 PolarHBondContact O-N 3.11Å; G325-H332 PolarHBondContact O-ND1 2.92Å; E327-H332 WeakPolarHBondContact CB-ND1 3.36Å; E327-H332 IonicContact OE2-ND1 3.86Å
333	I	86.3	Confident	85.3	Confident	19 Å²	19	69.8 Å²	69.8	10%	0.097	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	129.9	-178.7	-58.3	-176.2	0	0	0	109.5	V322 Y324 I339 T354 L357 T358	V322-I333 HydrophobicContact CG1-CD1 4.21Å; V322-I333 HydrophobicContact CG1-CG1 4.41Å; V322-I333 HydrophobicContact CG1-CG2 3.98Å; Y324-I333 HydrophobicContact CD1-CG1 3.94Å; Y324-I333 HydrophobicContact CE1-CD1 4.2Å; Y324-I333 HydrophobicContact CE1-CG1 3.73Å; I333-I339 HydrophobicContact CD1-CD1 3.71Å; I333-I339 HydrophobicContact CD1-CG1 4.23Å; I333-I339 HydrophobicContact CG2-CD1 4.3Å; I333-I339 HydrophobicContact CG2-CG1 3.93Å; I333-T354 HydrophobicContact CD1-CG2 3.87Å; I333-T354 HydrophobicContact CG1-CG2 4.35Å; I333-L357 HydrophobicContact CD1-CB 4.2Å; I333-L357 HydrophobicContact CD1-CD1 4.21Å; I333-T358 HydrophobicContact CD1-CG2 4.28Å; I333-T358 HydrophobicContact CG1-CG2 3.87Å
334	T	84.4	Confident	85.5	Confident	75 Å²	75	70.5 Å²	70.5	46%	0.46	35%	0.347	S	S	.	.			trans	-98.4	-13.3	178.9	54.5	0	0	0	0	113.2	Q323	Q323-T334 WeakPolarHBondContact CB-OG1 3.37Å; Q323-T334 PolarHBondContact O-N 2.82Å; Q323-T334 PolarHBondContact O-OG1 3.01Å
335	S	82.3	Confident	85.7	Confident	15 Å²	15	69.4 Å²	69.4	11%	0.105	34%	0.343	C	S	.	.			trans	-108.7	68.2	-174.1	59.5	0	0	0	0	114	Q323 T337 Q338 I339	Q323-S335 PolarHBondContact N-OG 2.78Å; Q323-S335 VanDerWaalsContact N-OG 3.1Å; S335-T337 PolarHBondContact O-N 3.5Å; S335-T337 VanDerWaalsContact O-N 3.1Å; S335-Q338 PolarHBondContact O-N 2.71Å; S335-I339 PolarHBondContact O-N 2.83Å
336	D	81.6	Confident	85.9	Confident	108 Å²	108	68.7 Å²	68.7	58%	0.578	34%	0.336	S	S	*	.	H	α-helix	trans	-55.3	-30.7	179.9	-76.4	-26	0	0	0	114.6	Q338 I339 K340	D336-Q338 VanDerWaalsContact C-N 3.33Å; D336-Q338 PolarHBondContact O-N 2.99Å; D336-I339 PolarHBondContact O-N 3.01Å; D336-K340 WeakPolarHBondContact O-CG 3.38Å; D336-K340 PolarHBondContact O-N 3.28Å; D336-K340 VanDerWaalsContact O-N 3.11Å
337	T	86.3	Confident	86.1	Confident	90 Å²	90	63.2 Å²	63.2	55%	0.552	31%	0.314	S	S	*	.	H	α-helix	trans	-63.6	-39.1	177.1	50.9	0	0	0	0	111.9	S335 K340 Y341	S335-T337 PolarHBondContact O-N 3.5Å; S335-T337 VanDerWaalsContact O-N 3.1Å; T337-K340 PolarHBondContact O-N 2.81Å; T337-Y341 WeakPolarHBondContact O-CD2 3.49Å; T337-Y341 PolarHBondContact O-N 3.12Å
338	Q	86.4	Confident	86.6	Confident	38 Å²	38	57.8 Å²	57.8	18%	0.178	29%	0.29	C	S	.	.	H	α-helix	trans	-69.2	-39.8	178.3	-60.3	-58.2	-29.3	0	0	111	H318 N321 V322 S335 D336 K340 Y341 L342	H318-Q338 PolarHBondContact ND1-OE1 2.99Å; N321-Q338 HydrophobicContact CB-CG 4.31Å; V322-Q338 HydrophobicContact CG2-CB 4.41Å; S335-Q338 PolarHBondContact O-N 2.71Å; D336-Q338 VanDerWaalsContact C-N 3.33Å; D336-Q338 PolarHBondContact O-N 2.99Å; Q338-K340 VanDerWaalsContact C-N 3.32Å; Q338-K340 PolarHBondContact O-N 2.79Å; Q338-Y341 PolarHBondContact O-N 3.02Å; Q338-L342 WeakPolarHBondContact O-CB 3.37Å; Q338-L342 VanDerWaalsContact O-CG 3.27Å; Q338-L342 WeakPolarHBondContact O-CG 3.13Å; Q338-L342 PolarHBondContact O-N 2.88Å
339	I	88.6	Confident	87.2	Confident	10 Å²	10	53.9 Å²	53.9	5%	0.051	28%	0.275	C	S	.	.	H	α-helix	trans	-62.1	-39.5	176.1	-61.7	-62.1	0	0	0	111.7	V322 I333 S335 D336 Y341 L342 A343 L357	V322-I339 HydrophobicContact CG2-CD1 4.27Å; I333-I339 HydrophobicContact CD1-CD1 3.71Å; I333-I339 HydrophobicContact CD1-CG1 4.23Å; I333-I339 HydrophobicContact CG2-CD1 4.3Å; I333-I339 HydrophobicContact CG2-CG1 3.93Å; S335-I339 PolarHBondContact O-N 2.83Å; D336-I339 PolarHBondContact O-N 3.01Å; I339-Y341 PolarHBondContact O-N 3.2Å; I339-L342 HydrophobicContact CD1-CD1 4.23Å; I339-L342 PolarHBondContact O-N 2.72Å; I339-A343 VanDerWaalsContact O-CB 3.31Å; I339-A343 WeakPolarHBondContact O-CB 3.44Å; I339-A343 PolarHBondContact O-N 3.27Å; I339-L357 HydrophobicContact CD1-CD1 4.23Å
340	K	89.2	Confident	87.8	Confident	159 Å²	159	53.1 Å²	53.1	69%	0.691	27%	0.267	S	S	*	.	H	α-helix	trans	-61.4	-43	174.4	-72	175.8	-176.3	176.1	0	112.3	D336 T337 Q338 R344	D336-K340 WeakPolarHBondContact O-CG 3.38Å; D336-K340 PolarHBondContact O-N 3.28Å; D336-K340 VanDerWaalsContact O-N 3.11Å; T337-K340 PolarHBondContact O-N 2.81Å; Q338-K340 VanDerWaalsContact C-N 3.32Å; Q338-K340 PolarHBondContact O-N 2.79Å; K340-R344 PolarHBondContact O-N 3.46Å
341	Y	90.5	Very high	87.9	Confident	90 Å²	90	51.9 Å²	51.9	35%	0.353	27%	0.273	S	S	.	.	H	α-helix	trans	-63.7	-44.3	174.4	-76.5	-61.5	0	0	0	111.7	T337 Q338 I339 R344 L345	T337-Y341 WeakPolarHBondContact O-CD2 3.49Å; T337-Y341 PolarHBondContact O-N 3.12Å; Q338-Y341 PolarHBondContact O-N 3.02Å; I339-Y341 PolarHBondContact O-N 3.2Å; Y341-R344 PolarHBondContact O-N 2.87Å; Y341-L345 WeakPolarHBondContact O-CB 3.34Å; Y341-L345 VanDerWaalsContact O-CG 3.25Å; Y341-L345 WeakPolarHBondContact O-CG 3.31Å; Y341-L345 PolarHBondContact O-N 2.71Å
342	L	90.4	Very high	88.1	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.6	-47.3	179.1	-72.6	170.9	0	0	0	112.9	S315 H318 L319 V322 Q338 I339 R344 L345 L346 L353	S315-L342 WeakPolarHBondContact O-CD2 3.29Å; H318-L342 HydrophobicContact CB-CD2 3.64Å; H318-L342 HydrophobicContact CB-CG 3.98Å; L319-L342 HydrophobicContact CB-CD2 4.43Å; L319-L342 HydrophobicContact CD2-CD1 3.83Å; L319-L342 HydrophobicContact CD2-CD2 4.13Å; L319-L342 HydrophobicContact CG-CD1 4.23Å; L319-L342 HydrophobicContact CG-CD2 3.7Å; V322-L342 HydrophobicContact CG2-CD1 3.61Å; Q338-L342 WeakPolarHBondContact O-CB 3.37Å; Q338-L342 VanDerWaalsContact O-CG 3.27Å; Q338-L342 WeakPolarHBondContact O-CG 3.13Å; Q338-L342 PolarHBondContact O-N 2.88Å; I339-L342 HydrophobicContact CD1-CD1 4.23Å; I339-L342 PolarHBondContact O-N 2.72Å; L342-R344 PolarHBondContact O-N 3.08Å; L342-L345 PolarHBondContact O-N 2.95Å; L342-L346 HydrophobicContact CD2-CD1 4.4Å; L342-L346 VanDerWaalsContact O-CB 3.29Å; L342-L346 WeakPolarHBondContact O-CB 3.49Å; L342-L346 PolarHBondContact O-N 2.88Å; L342-L353 HydrophobicContact CB-CD2 3.82Å
343	A	90.7	Very high	88.2	Confident	18 Å²	18	50.9 Å²	50.9	15%	0.149	27%	0.27	C	S	.	.	H	α-helix	trans	-55.1	-43.4	176.2	0	0	0	0	0	111.3	I339 G347 V348	I339-A343 VanDerWaalsContact O-CB 3.31Å; I339-A343 WeakPolarHBondContact O-CB 3.44Å; I339-A343 PolarHBondContact O-N 3.27Å; A343-G347 CarbonylContact O-C 3.59Å; A343-G347 VanDerWaalsContact O-CA 3.32Å; A343-G347 WeakPolarHBondContact O-CA 3.43Å; A343-G347 PolarHBondContact O-N 3Å; A343-V348 CarbonylContact C-O 3.58Å; A343-V348 WeakPolarHBondContact CA-O 3.17Å; A343-V348 VanDerWaalsContact CB-O 3.31Å; A343-V348 WeakPolarHBondContact CB-O 3.34Å; A343-V348 PolarHBondContact O-N 3.46Å
344	R	91.5	Very high	88.3	Confident	136 Å²	136	52 Å²	52	51%	0.513	28%	0.278	S	S	.	.	H	α-helix	trans	-69	-47	177.4	-173.6	-177.3	67.5	170.7	3.9	113.1	R259 K340 Y341 L342 G347	R259-R344 PolarHBondContact O-NH2 2.73Å; K340-R344 PolarHBondContact O-N 3.46Å; Y341-R344 PolarHBondContact O-N 2.87Å; L342-R344 PolarHBondContact O-N 3.08Å; R344-G347 PolarHBondContact O-N 3.22Å
345	L	91.3	Very high	88.5	Confident	6 Å²	6	53.5 Å²	53.5	3%	0.031	28%	0.28	C	S	.	.	H	α-helix	trans	-72.6	-40.2	-174.5	-69.1	171	0	0	0	112.7	L260 N311 A314 H318 Y341 L342 G347	L260-L345 HydrophobicContact CD2-CD2 4.23Å; N311-L345 HydrophobicContact CB-CD2 4.21Å; A314-L345 HydrophobicContact CB-CD1 4.04Å; H318-L345 VanDerWaalsContact CD2-CD1 3.49Å; H318-L345 WeakPolarHBondContact CD2-CD1 3.23Å; Y341-L345 WeakPolarHBondContact O-CB 3.34Å; Y341-L345 VanDerWaalsContact O-CG 3.25Å; Y341-L345 WeakPolarHBondContact O-CG 3.31Å; Y341-L345 PolarHBondContact O-N 2.71Å; L342-L345 PolarHBondContact O-N 2.95Å; L345-G347 VanDerWaalsContact C-N 3.32Å
346	L	89.9	Confident	88.7	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-81.6	-12.2	175.7	-65.4	170.1	0	0	0	112	S315 L342 V348 L353 M575 S578 L583	S315-L346 WeakPolarHBondContact OG-CD2 3.34Å; L342-L346 HydrophobicContact CD2-CD1 4.4Å; L342-L346 VanDerWaalsContact O-CB 3.29Å; L342-L346 WeakPolarHBondContact O-CB 3.49Å; L342-L346 PolarHBondContact O-N 2.88Å; L346-V348 HydrophobicContact CB-CG1 4.29Å; L346-V348 HydrophobicContact CB-CG2 3.96Å; L346-L353 HydrophobicContact CD1-CD2 4.46Å; L346-M575 HydrophobicContact CD1-CE 4.19Å; L346-M575 HydrophobicContact CD1-SD 4.49Å; L346-S578 WeakPolarHBondContact O-CB 3.17Å; L346-S578 PolarHBondContact O-OG 3.04Å; L346-L583 HydrophobicContact CB-CD1 4.34Å; L346-L583 HydrophobicContact CD2-CD1 3.54Å
347	G	89.6	Confident	89	Confident	15 Å²	15	47.9 Å²	47.9	16%	0.155	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	42.6	-176.2	0	0	0	0	0	112.7	A343 R344 L345 S578 E579	A343-G347 CarbonylContact O-C 3.59Å; A343-G347 VanDerWaalsContact O-CA 3.32Å; A343-G347 WeakPolarHBondContact O-CA 3.43Å; A343-G347 PolarHBondContact O-N 3Å; R344-G347 PolarHBondContact O-N 3.22Å; L345-G347 VanDerWaalsContact C-N 3.32Å; G347-S578 CarbonylContact O-C 3.57Å; G347-S578 WeakPolarHBondContact O-CA 3.21Å; G347-E579 PolarHBondContact O-N 2.83Å
348	V	91.2	Very high	89.1	Confident	16 Å²	16	44 Å²	44	10%	0.097	23%	0.226	C	C	.	.			trans	-124.9	158.6	-178.8	-62.8	0	0	0	0	110.8	A343 L346 G350 L353 V574	A343-V348 CarbonylContact C-O 3.58Å; A343-V348 WeakPolarHBondContact CA-O 3.17Å; A343-V348 VanDerWaalsContact CB-O 3.31Å; A343-V348 WeakPolarHBondContact CB-O 3.34Å; A343-V348 PolarHBondContact O-N 3.46Å; L346-V348 HydrophobicContact CB-CG1 4.29Å; L346-V348 HydrophobicContact CB-CG2 3.96Å; V348-G350 PolarHBondContact O-N 3.2Å; V348-L353 HydrophobicContact CG2-CB 4.26Å; V348-L353 HydrophobicContact CG2-CD2 4.06Å; V348-V574 HydrophobicContact CB-CG1 4.06Å; V348-V574 HydrophobicContact CG1-CG1 4.07Å; V348-V574 WeakPolarHBondContact CG1-O 3.26Å; V348-V574 HydrophobicContact CG2-CG1 4.26Å
349	N	90.5	Very high	89	Confident	101 Å²	101	45 Å²	45	54%	0.54	23%	0.23	S	C	.	.			trans	-70.3	124.6	174.9	-169.1	-36.6	0	0	0	110.9	T351 V352 L353	N349-T351 VanDerWaalsContact C-N 3.33Å; N349-T351 PolarHBondContact O-N 3.04Å; N349-T351 PolarHBondContact OD1-N 2.86Å; N349-T351 PolarHBondContact OD1-OG1 3.37Å; N349-V352 HydrophobicContact CB-CB 4.34Å; N349-V352 HydrophobicContact CB-CG2 3.91Å; N349-V352 PolarHBondContact O-N 2.91Å; N349-L353 PolarHBondContact O-N 2.91Å
350	G	86.8	Confident	88.8	Confident	17 Å²	17	47 Å²	47	18%	0.175	24%	0.239	C	C	.	.	H	α-helix	trans	-60.7	-34.4	-177.7	0	0	0	0	0	114.4	V348 L353 T354	V348-G350 PolarHBondContact O-N 3.2Å; G350-L353 PolarHBondContact O-N 3.45Å; G350-T354 PolarHBondContact O-N 3.3Å; G350-T354 PolarHBondContact O-OG1 2.91Å; G350-T354 VanDerWaalsContact O-OG1 3.08Å
351	T	87.6	Confident	88.3	Confident	100 Å²	100	41.7 Å²	41.7	61%	0.613	22%	0.215	S	C	*	.	H	α-helix	trans	-68.7	-43.5	179	57.1	0	0	0	0	111.4	N349 L353 T354 E355	N349-T351 VanDerWaalsContact C-N 3.33Å; N349-T351 PolarHBondContact O-N 3.04Å; N349-T351 PolarHBondContact OD1-N 2.86Å; N349-T351 PolarHBondContact OD1-OG1 3.37Å; T351-L353 VanDerWaalsContact C-N 3.33Å; T351-L353 PolarHBondContact O-N 2.62Å; T351-T354 PolarHBondContact O-N 3.4Å; T351-E355 PolarHBondContact O-N 3.48Å
352	V	88.5	Confident	87.5	Confident	56 Å²	56	40.7 Å²	40.7	34%	0.339	22%	0.216	S	C	.	.	H	α-helix	trans	-66.1	-38.3	178.4	-171.5	0	0	0	0	110.6	N349 E355 A356 V574	N349-V352 HydrophobicContact CB-CB 4.34Å; N349-V352 HydrophobicContact CB-CG2 3.91Å; N349-V352 PolarHBondContact O-N 2.91Å; V352-E355 PolarHBondContact O-N 2.89Å; V352-A356 WeakPolarHBondContact O-CB 3.28Å; V352-A356 PolarHBondContact O-N 3.33Å; V352-V574 HydrophobicContact CG1-CG2 3.72Å
353	L	88.1	Confident	86.4	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.6	-42.5	174.7	-178.1	63.3	0	0	0	112	L342 L346 V348 N349 G350 T351 A356 L357 V574 M575	L342-L353 HydrophobicContact CB-CD2 3.82Å; L346-L353 HydrophobicContact CD1-CD2 4.46Å; V348-L353 HydrophobicContact CG2-CB 4.26Å; V348-L353 HydrophobicContact CG2-CD2 4.06Å; N349-L353 PolarHBondContact O-N 2.91Å; G350-L353 PolarHBondContact O-N 3.45Å; T351-L353 VanDerWaalsContact C-N 3.33Å; T351-L353 PolarHBondContact O-N 2.62Å; L353-A356 PolarHBondContact O-N 3.04Å; L353-L357 HydrophobicContact CD1-CD1 4.24Å; L353-L357 HydrophobicContact CD1-CG 4.41Å; L353-L357 HydrophobicContact CG-CD1 4.1Å; L353-L357 WeakPolarHBondContact O-CB 3.16Å; L353-L357 WeakPolarHBondContact O-CG 3.34Å; L353-L357 PolarHBondContact O-N 3.15Å; L353-V574 HydrophobicContact CB-CG1 4.42Å; L353-V574 HydrophobicContact CD1-CG1 4.15Å; L353-M575 HydrophobicContact CD1-CE 4.08Å
354	T	88.7	Confident	85.1	Confident	43 Å²	43	46.1 Å²	46.1	26%	0.264	25%	0.249	S	C	.	.	H	α-helix	trans	-62.6	-44.4	176.7	-65.9	0	0	0	0	111.8	I333 G350 T351 A356 L357 T358	I333-T354 HydrophobicContact CD1-CG2 3.87Å; I333-T354 HydrophobicContact CG1-CG2 4.35Å; G350-T354 PolarHBondContact O-N 3.3Å; G350-T354 PolarHBondContact O-OG1 2.91Å; G350-T354 VanDerWaalsContact O-OG1 3.08Å; T351-T354 PolarHBondContact O-N 3.4Å; T354-A356 VanDerWaalsContact C-N 3.34Å; T354-L357 PolarHBondContact O-N 3.31Å; T354-T358 WeakPolarHBondContact O-CG2 3.02Å; T354-T358 PolarHBondContact O-N 3.25Å; T354-T358 VanDerWaalsContact O-N 3.16Å; T354-T358 PolarHBondContact O-OG1 2.83Å
355	E	88.1	Confident	83.8	Confident	106 Å²	106	50.5 Å²	50.5	50%	0.495	27%	0.272	S	S	.	.	H	α-helix	trans	-62.2	-43.2	175.7	-171	-177	168.3	0	0	110.9	T351 V352 L357 T358 H359	T351-E355 PolarHBondContact O-N 3.48Å; V352-E355 PolarHBondContact O-N 2.89Å; E355-L357 VanDerWaalsContact C-N 3.29Å; E355-L357 PolarHBondContact O-N 3.15Å; E355-T358 PolarHBondContact O-N 3Å; E355-T358 PolarHBondContact O-OG1 3.45Å; E355-H359 WeakPolarHBondContact O-CB 3.19Å; E355-H359 PolarHBondContact O-N 3.41Å; E355-H359 PolarHBondContact O-ND1 3.1Å
356	A	87.2	Confident	82.5	Confident	5 Å²	5	53.4 Å²	53.4	4%	0.041	30%	0.304	C	S	.	.	H	α-helix	trans	-67.1	-27.1	-180	0	0	0	0	0	114	V352 L353 T354 N570 L571 V574	V352-A356 WeakPolarHBondContact O-CB 3.28Å; V352-A356 PolarHBondContact O-N 3.33Å; L353-A356 PolarHBondContact O-N 3.04Å; T354-A356 VanDerWaalsContact C-N 3.34Å; A356-N570 WeakPolarHBondContact CA-ND2 3.28Å; A356-N570 HydrophobicContact CB-CB 4.46Å; A356-N570 PolarHBondContact O-ND2 2.81Å; A356-N570 VanDerWaalsContact O-ND2 3.16Å; A356-L571 HydrophobicContact CB-CD2 3.96Å; A356-L571 WeakPolarHBondContact O-CD2 3.44Å; A356-V574 HydrophobicContact CB-CG2 3.6Å
357	L	87.1	Confident	81.5	Confident	0 Å²	0	61 Å²	61	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-84.2	-21.1	176.8	-75.7	171.5	0	0	0	113.6	I333 I339 L353 T354 E355 R382 L385 L571	I333-L357 HydrophobicContact CD1-CB 4.2Å; I333-L357 HydrophobicContact CD1-CD1 4.21Å; I339-L357 HydrophobicContact CD1-CD1 4.23Å; L353-L357 HydrophobicContact CD1-CD1 4.24Å; L353-L357 HydrophobicContact CD1-CG 4.41Å; L353-L357 HydrophobicContact CG-CD1 4.1Å; L353-L357 WeakPolarHBondContact O-CB 3.16Å; L353-L357 WeakPolarHBondContact O-CG 3.34Å; L353-L357 PolarHBondContact O-N 3.15Å; T354-L357 PolarHBondContact O-N 3.31Å; E355-L357 VanDerWaalsContact C-N 3.29Å; E355-L357 PolarHBondContact O-N 3.15Å; L357-R382 HydrophobicContact CD2-CB 4.35Å; L357-L385 HydrophobicContact CD2-CD2 4.24Å; L357-L571 HydrophobicContact CD2-CD2 4.02Å; L357-L571 HydrophobicContact CG-CD2 4.39Å
358	T	88.2	Confident	80.8	Confident	9 Å²	9	65.7 Å²	65.7	6%	0.055	36%	0.357	C	S	.	.	H	α-helix	trans	-107.1	-18.3	-177.4	53.2	0	0	0	0	113.4	Y324 A331 I333 T354 E355 L373	Y324-T358 HydrophobicContact CE1-CG2 4.36Å; A331-T358 WeakPolarHBondContact O-CG2 3.47Å; I333-T358 HydrophobicContact CD1-CG2 4.28Å; I333-T358 HydrophobicContact CG1-CG2 3.87Å; T354-T358 WeakPolarHBondContact O-CG2 3.02Å; T354-T358 PolarHBondContact O-N 3.25Å; T354-T358 VanDerWaalsContact O-N 3.16Å; T354-T358 PolarHBondContact O-OG1 2.83Å; E355-T358 PolarHBondContact O-N 3Å; E355-T358 PolarHBondContact O-OG1 3.45Å; T358-L373 VanDerWaalsContact O-CB 3.26Å; T358-L373 WeakPolarHBondContact O-CB 3.11Å; T358-L373 WeakPolarHBondContact O-CG 3.49Å; T358-L373 PolarHBondContact O-N 3.06Å
359	H	86.3	Confident	80.2	Confident	59 Å²	59	70 Å²	70	27%	0.273	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	159.9	179.5	-61.2	69.6	0	0	0	111	E355 V370 S371 N570	E355-H359 WeakPolarHBondContact O-CB 3.19Å; E355-H359 PolarHBondContact O-N 3.41Å; E355-H359 PolarHBondContact O-ND1 3.1Å; H359-V370 HydrophobicContact CB-CG1 3.6Å; H359-S371 CarbonylContact C-O 3.53Å; H359-S371 VanDerWaalsContact CA-O 3.28Å; H359-S371 WeakPolarHBondContact CA-O 3.24Å; H359-N570 PolarHBondContact O-ND2 2.81Å
360	K	83.2	Confident	79.7	Confident	52 Å²	52	68.6 Å²	68.6	23%	0.226	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	141.4	167.5	59.1	179.7	171.9	-172.3	0	110.2	I362 V370 S371 L373 F568	K360-I362 HydrophobicContact CD-CD1 4.07Å; K360-I362 HydrophobicContact CD-CG1 4.29Å; K360-I362 HydrophobicContact CG-CD1 4.38Å; K360-I362 HydrophobicContact CG-CG1 4.32Å; K360-V370 WeakPolarHBondContact O-CA 3.34Å; K360-S371 WeakPolarHBondContact CE-OG 3.39Å; K360-S371 PolarHBondContact N-O 3.45Å; K360-S371 PolarHBondContact O-N 3.33Å; K360-L373 HydrophobicContact CB-CD2 3.8Å; K360-L373 HydrophobicContact CB-CG 4.46Å; K360-L373 HydrophobicContact CD-CD2 3.63Å; K360-L373 HydrophobicContact CG-CD2 3.63Å; K360-F568 HydrophobicContact CB-CD2 4.38Å; K360-F568 HydrophobicContact CB-CE2 4.48Å
361	K	79.2	Confident	79.6	Confident	46 Å²	46	69.1 Å²	69.1	20%	0.2	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	115.9	174.7	-165.8	173.9	-179.8	-173.4	0	109.5	E368 V370 N570 E573	K361-E368 VanDerWaalsContact CE-OE1 3.25Å; K361-E368 WeakPolarHBondContact CE-OE1 3.04Å; K361-E368 WeakPolarHBondContact CE-OE2 3.5Å; K361-E368 IonicContact NZ-OE1 2.84Å; K361-E368 PolarHBondContact NZ-OE1 2.7Å; K361-E368 VanDerWaalsContact NZ-OE1 3.07Å; K361-E368 IonicContact NZ-OE2 3.51Å; K361-E368 PolarHBondContact NZ-OE2 3.5Å; K361-V370 HydrophobicContact CG-CG2 4.36Å; K361-N570 HydrophobicContact CB-CB 4.11Å; K361-E573 IonicContact NZ-OE1 3.79Å; K361-E573 IonicContact NZ-OE2 2.72Å
362	I	73.1	Confident	79.5	Confident	70 Å²	70	66.4 Å²	66.4	36%	0.359	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	125.7	178.6	-59.2	172.2	0	0	0	108.1	K360 L369	K360-I362 HydrophobicContact CD-CD1 4.07Å; K360-I362 HydrophobicContact CD-CG1 4.29Å; K360-I362 HydrophobicContact CG-CD1 4.38Å; K360-I362 HydrophobicContact CG-CG1 4.32Å; I362-L369 PolarHBondContact N-O 2.88Å; I362-L369 PolarHBondContact O-N 2.67Å
363	I	68.3	Low	79.3	Confident	76 Å²	76	63.7 Å²	63.7	39%	0.39	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	106.8	173.3	-55.6	176.2	0	0	0	107.6	E367 E368	I363-E367 WeakPolarHBondContact CA-O 3.28Å; I363-E368 HydrophobicContact CG1-CG 4.32Å
364	A	63.9	Low	79.2	Confident	56 Å²	56	66.6 Å²	66.6	46%	0.463	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	120.9	176.6	0	0	0	0	0	109	G366 E367	A364-G366 PolarHBondContact O-N 3.3Å; A364-E367 PolarHBondContact N-O 3.07Å; A364-E367 VanDerWaalsContact N-O 3.07Å; A364-E367 PolarHBondContact O-N 3.48Å
365	K	62.9	Low	79	Confident	227 Å²	227	67.6 Å²	67.6	99%	0.987	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	24.4	177.3	-62.2	-177.8	178	177.5	0	115.8
366	G	63.8	Low	78.6	Confident	68 Å²	68	69.7 Å²	69.7	70%	0.701	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.4	-5.7	179	0	0	0	0	0	115.1	A364	A364-G366 PolarHBondContact O-N 3.3Å
367	E	68.6	Low	78.3	Confident	160 Å²	160	72.9 Å²	72.9	75%	0.748	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96	136	171	-68.6	179.9	171	0	0	110.4	I363 A364	I363-E367 WeakPolarHBondContact CA-O 3.28Å; A364-E367 PolarHBondContact N-O 3.07Å; A364-E367 VanDerWaalsContact N-O 3.07Å; A364-E367 PolarHBondContact O-N 3.48Å
368	E	74.8	Confident	78.2	Confident	112 Å²	112	72.9 Å²	72.9	52%	0.523	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	109.4	176.8	-57.7	-166	135.7	0	0	109.5	K361 I363	K361-E368 VanDerWaalsContact CE-OE1 3.25Å; K361-E368 WeakPolarHBondContact CE-OE1 3.04Å; K361-E368 WeakPolarHBondContact CE-OE2 3.5Å; K361-E368 IonicContact NZ-OE1 2.84Å; K361-E368 PolarHBondContact NZ-OE1 2.7Å; K361-E368 VanDerWaalsContact NZ-OE1 3.07Å; K361-E368 IonicContact NZ-OE2 3.51Å; K361-E368 PolarHBondContact NZ-OE2 3.5Å; I363-E368 HydrophobicContact CG1-CG 4.32Å
369	L	78.9	Confident	78	Confident	108 Å²	108	74.1 Å²	74.1	57%	0.565	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.3	126.1	175.9	-170.3	108.8	0	0	0	109.8	I362	I362-L369 PolarHBondContact N-O 2.88Å; I362-L369 PolarHBondContact O-N 2.67Å
370	V	80.7	Confident	77.8	Confident	71 Å²	71	74.7 Å²	74.7	43%	0.43	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	120.5	171.8	-176.7	0	0	0	0	108.3	H359 K360 K361	H359-V370 HydrophobicContact CB-CG1 3.6Å; K360-V370 WeakPolarHBondContact O-CA 3.34Å; K361-V370 HydrophobicContact CG-CG2 4.36Å
371	S	84.1	Confident	77.9	Confident	27 Å²	27	72.3 Å²	72.3	19%	0.189	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	136.9	178.8	132.1	0	0	0	0	110	H359 K360	H359-S371 CarbonylContact C-O 3.53Å; H359-S371 VanDerWaalsContact CA-O 3.28Å; H359-S371 WeakPolarHBondContact CA-O 3.24Å; K360-S371 WeakPolarHBondContact CE-OG 3.39Å; K360-S371 PolarHBondContact N-O 3.45Å; K360-S371 PolarHBondContact O-N 3.33Å
372	P	85.8	Confident	78.3	Confident	43 Å²	43	71 Å²	71	28%	0.279	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	151.5	172.8	29	-35.8	0	0	0	111.2	Y330	Y330-P372 HydrophobicContact CD1-CB 3.51Å; Y330-P372 HydrophobicContact CD1-CG 3.44Å; Y330-P372 VanDerWaalsContact CD1-CG 3.44Å; Y330-P372 HydrophobicContact CD2-CG 4.5Å; Y330-P372 HydrophobicContact CE1-CB 3.98Å; Y330-P372 HydrophobicContact CE1-CG 3.33Å; Y330-P372 HydrophobicContact CE2-CG 4.4Å; Y330-P372 HydrophobicContact CG-CB 3.91Å; Y330-P372 HydrophobicContact CG-CG 4.04Å
373	L	85	Confident	79	Confident	0 Å²	0	69 Å²	69	0%	0	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-99.1	149.3	177.6	-62.5	176.5	0	0	0	110.5	A331 T358 K360 Q377 A378 A381 F568	A331-L373 PolarHBondContact N-O 3.17Å; T358-L373 VanDerWaalsContact O-CB 3.26Å; T358-L373 WeakPolarHBondContact O-CB 3.11Å; T358-L373 WeakPolarHBondContact O-CG 3.49Å; T358-L373 PolarHBondContact O-N 3.06Å; K360-L373 HydrophobicContact CB-CD2 3.8Å; K360-L373 HydrophobicContact CB-CG 4.46Å; K360-L373 HydrophobicContact CD-CD2 3.63Å; K360-L373 HydrophobicContact CG-CD2 3.63Å; L373-Q377 HydrophobicContact CB-CB 4.09Å; L373-Q377 HydrophobicContact CD2-CB 4Å; L373-Q377 HydrophobicContact CG-CB 4.5Å; L373-A378 HydrophobicContact CB-CB 4.29Å; L373-A381 HydrophobicContact CD1-CB 4.25Å; L373-F568 HydrophobicContact CD1-CD2 4.38Å; L373-F568 HydrophobicContact CD1-CE2 3.85Å; L373-F568 HydrophobicContact CD2-CE2 4.16Å; L373-F568 HydrophobicContact CD2-CZ 4.49Å
374	N	84.8	Confident	79.7	Confident	60 Å²	60	65.9 Å²	65.9	32%	0.321	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-79.7	172.5	167.3	69.5	18.3	0	0	0	111	E376 Q377 A378	N374-E376 VanDerWaalsContact C-N 3.31Å; N374-E376 PolarHBondContact O-N 2.88Å; N374-E376 PolarHBondContact OD1-N 3.26Å; N374-Q377 PolarHBondContact O-N 3.33Å; N374-Q377 WeakPolarHBondContact OD1-CB 3.39Å; N374-Q377 WeakPolarHBondContact OD1-CG 3.35Å; N374-Q377 PolarHBondContact OD1-N 3.31Å; N374-A378 WeakPolarHBondContact O-CB 3.46Å; N374-A378 PolarHBondContact O-N 2.73Å
375	L	84.3	Confident	80.9	Confident	64 Å²	64	63.2 Å²	63.2	34%	0.335	34%	0.343	S	S	.	.	H	α-helix	trans	-55.4	-43.5	-176.6	-167.5	83.9	0	0	0	113.3	S379	L375-S379 WeakPolarHBondContact O-CB 3.28Å; L375-S379 PolarHBondContact O-N 2.94Å; L375-S379 PolarHBondContact O-OG 3.04Å
376	E	80.6	Confident	82.3	Confident	150 Å²	150	52.4 Å²	52.4	70%	0.701	30%	0.296	S	S	*	.	H	α-helix	trans	-71.7	-41.5	-177	-171.2	170.5	-158.1	0	0	111.7	N374 S379 S380	N374-E376 VanDerWaalsContact C-N 3.31Å; N374-E376 PolarHBondContact O-N 2.88Å; N374-E376 PolarHBondContact OD1-N 3.26Å; E376-S379 PolarHBondContact O-N 3.38Å; E376-S380 VanDerWaalsContact O-CB 3.31Å; E376-S380 WeakPolarHBondContact O-CB 3.47Å; E376-S380 PolarHBondContact O-N 2.86Å; E376-S380 PolarHBondContact O-OG 2.75Å
377	Q	80.9	Confident	83.4	Confident	72 Å²	72	50.9 Å²	50.9	34%	0.336	27%	0.27	S	S	.	.	H	α-helix	trans	-66.6	-40.9	175.3	-71.9	170.2	-2.1	0	0	111.6	L373 N374 S380 A381	L373-Q377 HydrophobicContact CB-CB 4.09Å; L373-Q377 HydrophobicContact CD2-CB 4Å; L373-Q377 HydrophobicContact CG-CB 4.5Å; N374-Q377 PolarHBondContact O-N 3.33Å; N374-Q377 WeakPolarHBondContact OD1-CB 3.39Å; N374-Q377 WeakPolarHBondContact OD1-CG 3.35Å; N374-Q377 PolarHBondContact OD1-N 3.31Å; Q377-S380 PolarHBondContact O-N 2.82Å; Q377-A381 VanDerWaalsContact O-CB 3.27Å; Q377-A381 WeakPolarHBondContact O-CB 3.36Å; Q377-A381 PolarHBondContact O-N 2.76Å
378	A	84.8	Confident	84.3	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.8	-43.1	176.2	0	0	0	0	0	111.6	Y324 A331 L373 N374 S380 A381 R382	Y324-A378 HydrophobicContact CD1-CB 3.96Å; Y324-A378 HydrophobicContact CD2-CB 4.36Å; Y324-A378 HydrophobicContact CE1-CB 3.81Å; Y324-A378 HydrophobicContact CE2-CB 4.23Å; Y324-A378 HydrophobicContact CG-CB 4.23Å; Y324-A378 PolarHBondContact OH-O 2.89Å; A331-A378 HydrophobicContact CB-CB 3.51Å; L373-A378 HydrophobicContact CB-CB 4.29Å; N374-A378 WeakPolarHBondContact O-CB 3.46Å; N374-A378 PolarHBondContact O-N 2.73Å; A378-S380 VanDerWaalsContact C-N 3.33Å; A378-S380 PolarHBondContact O-N 3.46Å; A378-A381 WeakPolarHBondContact O-CB 3.41Å; A378-A381 PolarHBondContact O-N 2.83Å; A378-R382 PolarHBondContact O-N 3.49Å
379	S	85.1	Confident	85.1	Confident	36 Å²	36	38.5 Å²	38.5	25%	0.252	21%	0.214	S	C	.	.	H	α-helix	trans	-61.7	-41.9	174.3	-62.2	0	0	0	0	112	L375 E376 R382 D383	L375-S379 WeakPolarHBondContact O-CB 3.28Å; L375-S379 PolarHBondContact O-N 2.94Å; L375-S379 PolarHBondContact O-OG 3.04Å; E376-S379 PolarHBondContact O-N 3.38Å; S379-R382 PolarHBondContact O-N 2.95Å; S379-D383 PolarHBondContact O-N 2.92Å; S379-D383 VanDerWaalsContact O-N 3.07Å
380	S	81.8	Confident	85.8	Confident	70 Å²	70	33.5 Å²	33.5	49%	0.49	19%	0.187	S	C	.	.	H	α-helix	trans	-67	-37.4	176.5	-60.1	0	0	0	0	111.9	E376 Q377 A378 D383 A384	E376-S380 VanDerWaalsContact O-CB 3.31Å; E376-S380 WeakPolarHBondContact O-CB 3.47Å; E376-S380 PolarHBondContact O-N 2.86Å; E376-S380 PolarHBondContact O-OG 2.75Å; Q377-S380 PolarHBondContact O-N 2.82Å; A378-S380 VanDerWaalsContact C-N 3.33Å; A378-S380 PolarHBondContact O-N 3.46Å; S380-D383 PolarHBondContact O-N 3.38Å; S380-A384 VanDerWaalsContact O-CB 3.28Å; S380-A384 WeakPolarHBondContact O-CB 3.34Å; S380-A384 PolarHBondContact O-N 3.18Å
381	A	83.8	Confident	86.2	Confident	3 Å²	3	30.4 Å²	30.4	3%	0.025	17%	0.17	C	C	.	.	H	α-helix	trans	-65.5	-44	176.6	0	0	0	0	0	112.1	L373 Q377 A378 A384 L385 F568 L571	L373-A381 HydrophobicContact CD1-CB 4.25Å; Q377-A381 VanDerWaalsContact O-CB 3.27Å; Q377-A381 WeakPolarHBondContact O-CB 3.36Å; Q377-A381 PolarHBondContact O-N 2.76Å; A378-A381 WeakPolarHBondContact O-CB 3.41Å; A378-A381 PolarHBondContact O-N 2.83Å; A381-A384 PolarHBondContact O-N 3.37Å; A381-L385 WeakPolarHBondContact O-CB 3.42Å; A381-L385 PolarHBondContact O-N 3.44Å; A381-F568 HydrophobicContact CB-CD2 3.91Å; A381-F568 HydrophobicContact CB-CE2 3.64Å; A381-L571 HydrophobicContact CB-CD1 4.19Å
382	R	89.1	Confident	86.5	Confident	17 Å²	17	31.8 Å²	31.8	6%	0.064	17%	0.171	C	C	.	.	H	α-helix	trans	-58.1	-46.7	172.6	178.7	-160	74.2	176.1	-2.1	111.9	L319 G320 V322 Y324 L357 A378 S379 L385 S386	L319-R382 WeakPolarHBondContact O-CD 3.4Å; G320-R382 PolarHBondContact O-NH1 2.99Å; V322-R382 PolarHBondContact O-NH1 3.33Å; Y324-R382 HydrophobicContact CE2-CB 4.25Å; L357-R382 HydrophobicContact CD2-CB 4.35Å; A378-R382 PolarHBondContact O-N 3.49Å; S379-R382 PolarHBondContact O-N 2.95Å; R382-L385 PolarHBondContact O-N 3.4Å; R382-S386 WeakPolarHBondContact O-CB 3.04Å; R382-S386 PolarHBondContact O-N 3Å; R382-S386 PolarHBondContact O-OG 2.93Å
383	D	86.6	Confident	86.8	Confident	28 Å²	28	29.8 Å²	29.8	15%	0.15	16%	0.158	C	C	.	.	H	α-helix	trans	-68.3	-38	179.5	-74.4	7.5	0	0	0	110.9	V233 Y271 S379 S380 S386 K387	V233-D383 HydrophobicContact CB-CB 4.16Å; V233-D383 HydrophobicContact CG1-CB 3.92Å; V233-D383 HydrophobicContact CG2-CB 4.31Å; Y271-D383 PolarHBondContact OH-OD1 2.73Å; S379-D383 PolarHBondContact O-N 2.92Å; S379-D383 VanDerWaalsContact O-N 3.07Å; S380-D383 PolarHBondContact O-N 3.38Å; D383-S386 PolarHBondContact O-N 2.57Å; D383-K387 WeakPolarHBondContact O-CB 3.19Å; D383-K387 WeakPolarHBondContact O-CE 3.44Å; D383-K387 VanDerWaalsContact O-CG 3.27Å; D383-K387 WeakPolarHBondContact O-CG 3.47Å; D383-K387 PolarHBondContact O-N 3.14Å
384	A	84.1	Confident	87.2	Confident	12 Å²	12	29.9 Å²	29.9	10%	0.099	16%	0.158	C	C	.	.	H	α-helix	trans	-61.6	-44.8	172.7	0	0	0	0	0	112.2	S380 A381 K387 A388	S380-A384 VanDerWaalsContact O-CB 3.28Å; S380-A384 WeakPolarHBondContact O-CB 3.34Å; S380-A384 PolarHBondContact O-N 3.18Å; A381-A384 PolarHBondContact O-N 3.37Å; A384-K387 PolarHBondContact O-N 2.89Å; A384-A388 WeakPolarHBondContact O-CB 3.38Å; A384-A388 PolarHBondContact O-N 2.9Å
385	L	88.9	Confident	87.5	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-60.9	-46.9	175.1	-178.9	63	0	0	0	111.3	L319 L357 A381 R382 K387 A388 V389 L567 L571 M575	L319-L385 HydrophobicContact CD1-CD2 4.16Å; L319-L385 HydrophobicContact CD1-CG 4.24Å; L319-L385 HydrophobicContact CD2-CD2 3.99Å; L357-L385 HydrophobicContact CD2-CD2 4.24Å; A381-L385 WeakPolarHBondContact O-CB 3.42Å; A381-L385 PolarHBondContact O-N 3.44Å; R382-L385 PolarHBondContact O-N 3.4Å; L385-K387 PolarHBondContact O-N 2.92Å; L385-A388 PolarHBondContact O-N 3.3Å; L385-V389 HydrophobicContact CD1-CG2 3.87Å; L385-V389 HydrophobicContact CG-CG2 4.2Å; L385-V389 WeakPolarHBondContact O-CB 3.26Å; L385-V389 WeakPolarHBondContact O-CG2 3.36Å; L385-V389 PolarHBondContact O-N 3.11Å; L385-L567 HydrophobicContact CB-CD1 4.26Å; L385-L567 HydrophobicContact CD1-CD1 4.19Å; L385-L571 HydrophobicContact CB-CD1 4.33Å; L385-L571 HydrophobicContact CD1-CB 4.42Å; L385-L571 HydrophobicContact CD2-CD2 4.03Å; L385-M575 HydrophobicContact CD1-CE 4.03Å; L385-M575 HydrophobicContact CD1-CG 3.9Å; L385-M575 HydrophobicContact CD1-SD 4.07Å; L385-M575 HydrophobicContact CD2-CE 4.09Å
386	S	91.3	Very high	87.9	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59.4	-44.9	179.5	-60.6	0	0	0	0	112	Y271 L319 R382 D383 Y390	Y271-S386 PolarHBondContact OH-OG 2.72Å; L319-S386 WeakPolarHBondContact CB-OG 3.38Å; R382-S386 WeakPolarHBondContact O-CB 3.04Å; R382-S386 PolarHBondContact O-N 3Å; R382-S386 PolarHBondContact O-OG 2.93Å; D383-S386 PolarHBondContact O-N 2.57Å; S386-Y390 WeakPolarHBondContact O-CB 3.32Å; S386-Y390 PolarHBondContact O-N 2.76Å; S386-Y390 VanDerWaalsContact O-N 3.11Å
387	K	88.3	Confident	88.4	Confident	36 Å²	36	20.7 Å²	20.7	16%	0.157	12%	0.115	C	C	.	.	H	α-helix	trans	-61.4	-44.3	174.3	-73.1	-177.9	-69.6	171.1	0	112	K229 V233 D383 A384 L385 G391	K229-K387 HydrophobicContact CB-CB 4.19Å; K229-K387 HydrophobicContact CB-CD 4.49Å; K229-K387 HydrophobicContact CB-CG 4.32Å; K229-K387 WeakPolarHBondContact O-CG 3.29Å; V233-K387 HydrophobicContact CG1-CG 3.95Å; V233-K387 HydrophobicContact CG2-CD 4.04Å; V233-K387 HydrophobicContact CG2-CG 4.14Å; D383-K387 WeakPolarHBondContact O-CB 3.19Å; D383-K387 WeakPolarHBondContact O-CE 3.44Å; D383-K387 VanDerWaalsContact O-CG 3.27Å; D383-K387 WeakPolarHBondContact O-CG 3.47Å; D383-K387 PolarHBondContact O-N 3.14Å; A384-K387 PolarHBondContact O-N 2.89Å; L385-K387 PolarHBondContact O-N 2.92Å; K387-G391 PolarHBondContact O-N 3.04Å
388	A	87.1	Confident	89	Confident	12 Å²	12	17.2 Å²	17.2	10%	0.099	10%	0.099	C	C	.	.	H	α-helix	trans	-68.5	-46.1	-177.6	0	0	0	0	0	112.3	A384 L385 G391 R392 L567	A384-A388 WeakPolarHBondContact O-CB 3.38Å; A384-A388 PolarHBondContact O-N 2.9Å; L385-A388 PolarHBondContact O-N 3.3Å; A388-G391 PolarHBondContact O-N 3.13Å; A388-R392 WeakPolarHBondContact O-CB 3.48Å; A388-R392 WeakPolarHBondContact O-CG 3.48Å; A388-R392 PolarHBondContact O-N 3.44Å; A388-L567 HydrophobicContact CB-CD1 4.32Å; A388-L567 HydrophobicContact CB-CD2 3.82Å
389	V	91.7	Very high	89.3	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-59.8	-50.9	177.2	169.9	0	0	0	0	110.1	I312 V316 L385 T393 M575 L583 F587	I312-V389 HydrophobicContact CG2-CG1 3.45Å; I312-V389 VanDerWaalsContact CG2-CG1 3.45Å; V316-V389 HydrophobicContact CG2-CG1 4.06Å; L385-V389 HydrophobicContact CD1-CG2 3.87Å; L385-V389 HydrophobicContact CG-CG2 4.2Å; L385-V389 WeakPolarHBondContact O-CB 3.26Å; L385-V389 WeakPolarHBondContact O-CG2 3.36Å; L385-V389 PolarHBondContact O-N 3.11Å; V389-T393 VanDerWaalsContact O-CB 3.26Å; V389-T393 WeakPolarHBondContact O-CB 3.33Å; V389-T393 PolarHBondContact O-N 3.46Å; V389-T393 PolarHBondContact O-OG1 3.33Å; V389-M575 HydrophobicContact CG2-SD 4.14Å; V389-L583 HydrophobicContact CG1-CD2 4.14Å; V389-F587 HydrophobicContact CG2-CE2 4.24Å; V389-F587 HydrophobicContact CG2-CZ 4.06Å
390	Y	93.5	Very high	89.6	Confident	2 Å²	2	22.4 Å²	22.4	1%	0.008	12%	0.121	C	C	.	.	H	α-helix	trans	-63	-46.9	178.8	-169.7	-90.3	0	0	0	112.1	F189 L227 V232 F242 I244 F245 I313 S386 R392 T393 F394	F189-Y390 WeakPolarHBondContact CA-OH 3.45Å; F189-Y390 PolarHBondContact O-OH 3.49Å; L227-Y390 HydrophobicContact CD2-CD1 4.05Å; L227-Y390 HydrophobicContact CD2-CE1 4.11Å; V232-Y390 HydrophobicContact CG2-CD1 3.52Å; V232-Y390 HydrophobicContact CG2-CD2 4.37Å; V232-Y390 HydrophobicContact CG2-CE1 4.14Å; V232-Y390 HydrophobicContact CG2-CG 3.66Å; F242-Y390 VanDerWaalsContact CB-OH 3.28Å; F242-Y390 WeakPolarHBondContact CB-OH 3.46Å; F242-Y390 HydrophobicContact CD2-CD1 4.37Å; F242-Y390 AromaticContact CD2-CE1 3.49Å; F242-Y390 HydrophobicContact CD2-CE1 3.49Å; F242-Y390 VanDerWaalsContact CD2-CE1 3.49Å; F242-Y390 HydrophobicContact CD2-CE2 4.41Å; F242-Y390 AromaticContact CD2-CZ 3.51Å; F242-Y390 WeakPolarHBondContact CD2-OH 3.43Å; F242-Y390 HydrophobicContact CE2-CD1 4.2Å; F242-Y390 AromaticContact CE2-CE1 3.54Å; F242-Y390 HydrophobicContact CE2-CE1 3.54Å; F242-Y390 HydrophobicContact CG-CE1 4.17Å; F242-Y390 AromaticContact CG-CZ 3.93Å; F242-Y390 VanDerWaalsContact CG-OH 3.3Å; F242-Y390 WeakPolarHBondContact CG-OH 3.49Å; F242-Y390 HydrophobicContact CZ-CE1 4.26Å; I244-Y390 HydrophobicContact CG2-CE2 4.37Å; F245-Y390 HydrophobicContact CE1-CE2 4.49Å; F245-Y390 HydrophobicContact CE2-CD2 4.36Å; F245-Y390 AromaticContact CE2-CE2 3.82Å; F245-Y390 HydrophobicContact CE2-CE2 3.82Å; F245-Y390 AromaticContact CZ-CD2 3.78Å; F245-Y390 HydrophobicContact CZ-CD2 3.78Å; F245-Y390 AromaticContact CZ-CE2 3.58Å; F245-Y390 HydrophobicContact CZ-CE2 3.58Å; I313-Y390 HydrophobicContact CD1-CD2 3.87Å; I313-Y390 HydrophobicContact CD1-CE2 3.81Å; S386-Y390 WeakPolarHBondContact O-CB 3.32Å; S386-Y390 PolarHBondContact O-N 2.76Å; S386-Y390 VanDerWaalsContact O-N 3.11Å; Y390-R392 PolarHBondContact O-N 3.4Å; Y390-T393 PolarHBondContact O-N 2.97Å; Y390-F394 PolarHBondContact O-N 2.99Å
391	G	89.6	Confident	90	Very high	6 Å²	6	19 Å²	19	6%	0.062	10%	0.097	C	C	.	.	H	α-helix	trans	-62.7	-43.5	-178.1	0	0	0	0	0	113.4	K387 A388 F394 T395	K387-G391 PolarHBondContact O-N 3.04Å; A388-G391 PolarHBondContact O-N 3.13Å; G391-F394 PolarHBondContact O-N 3.42Å; G391-T395 PolarHBondContact O-N 3.04Å; G391-T395 VanDerWaalsContact O-N 3.15Å; G391-T395 PolarHBondContact O-OG1 3.3Å
392	R	89.4	Confident	90.4	Very high	56 Å²	56	19.3 Å²	19.3	21%	0.211	10%	0.099	C	C	.	.	H	α-helix	trans	-69.4	-39.7	176.6	-68.9	177.5	177.7	-130.9	2	111.8	A388 Y390 F394 T395 W396 C586 E591	A388-R392 WeakPolarHBondContact O-CB 3.48Å; A388-R392 WeakPolarHBondContact O-CG 3.48Å; A388-R392 PolarHBondContact O-N 3.44Å; Y390-R392 PolarHBondContact O-N 3.4Å; R392-F394 VanDerWaalsContact C-N 3.3Å; R392-F394 PolarHBondContact O-N 2.95Å; R392-T395 PolarHBondContact O-N 3.32Å; R392-W396 PolarHBondContact O-N 3.48Å; R392-C586 HydrophobicContact CB-CB 3.94Å; R392-C586 WeakPolarHBondContact CD-O 3.23Å; R392-C586 PolarHBondContact NH1-O 3.24Å; R392-E591 IonicContact CZ-OE1 3.9Å; R392-E591 IonicContact CZ-OE2 3.15Å; R392-E591 IonicContact NH1-OE1 3.87Å; R392-E591 PolarHBondContact NH1-OE1 3.09Å; R392-E591 IonicContact NH1-OE2 3.41Å; R392-E591 PolarHBondContact NH1-OE2 3.47Å; R392-E591 IonicContact NH2-OE1 3.67Å; R392-E591 PolarHBondContact NH2-OE1 2.74Å; R392-E591 IonicContact NH2-OE2 3.62Å; R392-E591 PolarHBondContact NH2-OE2 2.69Å
393	T	93.1	Very high	90.4	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.006	13%	0.125	C	C	.	.	H	α-helix	trans	-61	-39.7	175.1	-57	0	0	0	0	111.5	L309 I312 V389 Y390 W396 L397	L309-T393 HydrophobicContact CD1-CG2 3.42Å; L309-T393 VanDerWaalsContact CD1-CG2 3.42Å; I312-T393 HydrophobicContact CD1-CG2 4.47Å; I312-T393 HydrophobicContact CG2-CG2 4.25Å; I312-T393 WeakPolarHBondContact CG2-OG1 3.22Å; V389-T393 VanDerWaalsContact O-CB 3.26Å; V389-T393 WeakPolarHBondContact O-CB 3.33Å; V389-T393 PolarHBondContact O-N 3.46Å; V389-T393 PolarHBondContact O-OG1 3.33Å; Y390-T393 PolarHBondContact O-N 2.97Å; T393-W396 PolarHBondContact O-N 3.46Å; T393-L397 WeakPolarHBondContact O-CB 3.4Å; T393-L397 PolarHBondContact O-N 3.36Å
394	F	92.9	Very high	90.3	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.009	13%	0.125	C	C	.	.	H	α-helix	trans	-63.8	-43.6	174.3	-176.7	-105.5	0	0	0	112.3	L186 F189 F203 N224 L227 Y390 G391 R392 W396 L397 V398	L186-F394 HydrophobicContact CD2-CE2 4.29Å; L186-F394 HydrophobicContact CD2-CZ 4.34Å; F189-F394 HydrophobicContact CB-CD2 3.7Å; F189-F394 HydrophobicContact CB-CE2 3.87Å; F203-F394 HydrophobicContact CD1-CZ 4.12Å; F203-F394 HydrophobicContact CD2-CE1 4.07Å; F203-F394 AromaticContact CD2-CZ 3.87Å; F203-F394 HydrophobicContact CD2-CZ 3.87Å; F203-F394 HydrophobicContact CE1-CZ 4.2Å; F203-F394 AromaticContact CE2-CZ 3.94Å; F203-F394 HydrophobicContact CE2-CZ 3.94Å; F203-F394 HydrophobicContact CG-CE1 4.21Å; F203-F394 AromaticContact CG-CZ 3.98Å; F203-F394 HydrophobicContact CG-CZ 3.98Å; F203-F394 HydrophobicContact CZ-CZ 4.13Å; N224-F394 HydrophobicContact CB-CE1 3.99Å; L227-F394 HydrophobicContact CB-CD1 4.34Å; L227-F394 HydrophobicContact CD1-CD1 4.12Å; L227-F394 HydrophobicContact CD1-CE1 4.09Å; L227-F394 HydrophobicContact CD1-CG 4.43Å; L227-F394 HydrophobicContact CD1-CZ 4.38Å; L227-F394 HydrophobicContact CD2-CB 3.85Å; L227-F394 HydrophobicContact CD2-CD1 3.8Å; L227-F394 HydrophobicContact CD2-CG 3.89Å; L227-F394 HydrophobicContact CG-CD1 4.31Å; Y390-F394 PolarHBondContact O-N 2.99Å; G391-F394 PolarHBondContact O-N 3.42Å; R392-F394 VanDerWaalsContact C-N 3.3Å; R392-F394 PolarHBondContact O-N 2.95Å; F394-W396 VanDerWaalsContact C-N 3.35Å; F394-W396 PolarHBondContact O-N 3.38Å; F394-L397 HydrophobicContact CD2-CD2 4.47Å; F394-L397 WeakPolarHBondContact O-CB 3.25Å; F394-L397 PolarHBondContact O-N 2.9Å; F394-V398 HydrophobicContact CD1-CG2 4.48Å; F394-V398 HydrophobicContact CE1-CG2 4.19Å; F394-V398 HydrophobicContact CZ-CG2 4.29Å; F394-V398 WeakPolarHBondContact O-CG2 3.34Å; F394-V398 PolarHBondContact O-N 3.35Å
395	T	90.1	Very high	90.3	Very high	59 Å²	59	22.5 Å²	22.5	36%	0.362	12%	0.121	S	C	.	.	H	α-helix	trans	-62.5	-41.8	174.8	-59.9	0	0	0	0	111.6	G391 R392 V398 N399	G391-T395 PolarHBondContact O-N 3.04Å; G391-T395 VanDerWaalsContact O-N 3.15Å; G391-T395 PolarHBondContact O-OG1 3.3Å; R392-T395 PolarHBondContact O-N 3.32Å; T395-V398 PolarHBondContact O-N 2.89Å; T395-N399 VanDerWaalsContact O-CG 3.32Å; T395-N399 PolarHBondContact O-N 3.31Å; T395-N399 PolarHBondContact O-ND2 2.68Å
396	W	92.4	Very high	90	Very high	22 Å²	22	26.5 Å²	26.5	8%	0.083	15%	0.145	C	C	.	.	H	α-helix	trans	-60.8	-44.1	173.9	175.9	92	0	0	0	112	F301 R392 T393 F394 V398 N399 K400 I582 C586	F301-W396 HydrophobicContact CD1-CH2 4.45Å; F301-W396 AromaticContact CE1-CH2 3.94Å; F301-W396 HydrophobicContact CE1-CH2 3.94Å; F301-W396 AromaticContact CE1-CZ3 3.86Å; F301-W396 HydrophobicContact CE1-CZ3 3.86Å; R392-W396 PolarHBondContact O-N 3.48Å; T393-W396 PolarHBondContact O-N 3.46Å; F394-W396 VanDerWaalsContact C-N 3.35Å; F394-W396 PolarHBondContact O-N 3.38Å; W396-V398 VanDerWaalsContact C-N 3.32Å; W396-V398 PolarHBondContact O-N 2.85Å; W396-N399 PolarHBondContact O-N 2.9Å; W396-N399 VanDerWaalsContact O-N 3.15Å; W396-K400 HydrophobicContact CH2-CG 4.34Å; W396-K400 HydrophobicContact CZ2-CB 4.48Å; W396-K400 HydrophobicContact CZ2-CD 4.36Å; W396-K400 HydrophobicContact CZ2-CG 4.44Å; W396-K400 WeakPolarHBondContact O-CB 3.1Å; W396-K400 PolarHBondContact O-N 2.95Å; W396-I582 HydrophobicContact CD2-CG2 3.63Å; W396-I582 HydrophobicContact CE3-CD1 4.42Å; W396-I582 HydrophobicContact CE3-CG2 3.73Å; W396-I582 HydrophobicContact CG-CG2 4.05Å; W396-I582 HydrophobicContact CH2-CD1 3.52Å; W396-I582 HydrophobicContact CH2-CG1 3.71Å; W396-I582 HydrophobicContact CH2-CG2 4.4Å; W396-I582 HydrophobicContact CZ2-CB 4.49Å; W396-I582 HydrophobicContact CZ2-CD1 4.05Å; W396-I582 HydrophobicContact CZ2-CG1 3.67Å; W396-I582 HydrophobicContact CZ2-CG2 4.31Å; W396-I582 HydrophobicContact CZ3-CD1 3.72Å; W396-I582 HydrophobicContact CZ3-CG1 4.16Å; W396-I582 HydrophobicContact CZ3-CG2 4.12Å; W396-C586 VanDerWaalsContact CB-SG 3.58Å
397	L	93.1	Very high	89	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-57.4	-45.6	176.8	-175.8	75.8	0	0	0	111.1	V185 F189 F301 L309 T393 F394 K400 I401	V185-L397 HydrophobicContact CG1-CD1 4.18Å; V185-L397 HydrophobicContact CG1-CD2 3.84Å; V185-L397 HydrophobicContact CG1-CG 4.25Å; F189-L397 HydrophobicContact CB-CD2 4.15Å; F189-L397 HydrophobicContact CD1-CD2 4.08Å; F189-L397 HydrophobicContact CD2-CD2 3.78Å; F189-L397 HydrophobicContact CE1-CD2 4.4Å; F189-L397 HydrophobicContact CE2-CD2 4.14Å; F189-L397 HydrophobicContact CG-CD2 3.75Å; F189-L397 HydrophobicContact CZ-CD2 4.43Å; F301-L397 HydrophobicContact CE1-CD1 3.88Å; F301-L397 HydrophobicContact CZ-CD1 3.59Å; L309-L397 HydrophobicContact CD2-CD1 3.93Å; T393-L397 WeakPolarHBondContact O-CB 3.4Å; T393-L397 PolarHBondContact O-N 3.36Å; F394-L397 HydrophobicContact CD2-CD2 4.47Å; F394-L397 WeakPolarHBondContact O-CB 3.25Å; F394-L397 PolarHBondContact O-N 2.9Å; L397-K400 PolarHBondContact O-N 2.94Å; L397-I401 HydrophobicContact CG-CD1 4.35Å; L397-I401 VanDerWaalsContact O-CG1 3.26Å; L397-I401 WeakPolarHBondContact O-CG1 3.2Å; L397-I401 PolarHBondContact O-N 3.27Å
398	V	91.8	Very high	87.9	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.8	-44.6	175.7	175.5	0	0	0	0	111.1	L186 I222 N224 F394 T395 W396 K400 I401 N402	L186-V398 HydrophobicContact CD2-CG2 3.75Å; I222-V398 HydrophobicContact CB-CG1 4.32Å; I222-V398 HydrophobicContact CG2-CG1 4.2Å; N224-V398 HydrophobicContact CB-CG2 4.19Å; F394-V398 HydrophobicContact CD1-CG2 4.48Å; F394-V398 HydrophobicContact CE1-CG2 4.19Å; F394-V398 HydrophobicContact CZ-CG2 4.29Å; F394-V398 WeakPolarHBondContact O-CG2 3.34Å; F394-V398 PolarHBondContact O-N 3.35Å; T395-V398 PolarHBondContact O-N 2.89Å; W396-V398 VanDerWaalsContact C-N 3.32Å; W396-V398 PolarHBondContact O-N 2.85Å; V398-K400 PolarHBondContact O-N 3.4Å; V398-I401 WeakPolarHBondContact O-CB 3.4Å; V398-I401 PolarHBondContact O-N 2.73Å; V398-N402 PolarHBondContact O-N 3.04Å; V398-N402 PolarHBondContact O-ND2 3.44Å
399	N	91.3	Very high	86.6	Confident	85 Å²	85	41.8 Å²	41.8	46%	0.455	21%	0.212	S	C	.	.	H	α-helix	trans	-62.2	-41.4	177.7	-72.5	-21.1	0	0	0	112.2	T395 W396 N402 T403	T395-N399 VanDerWaalsContact O-CG 3.32Å; T395-N399 PolarHBondContact O-N 3.31Å; T395-N399 PolarHBondContact O-ND2 2.68Å; W396-N399 PolarHBondContact O-N 2.9Å; W396-N399 VanDerWaalsContact O-N 3.15Å; N399-N402 WeakPolarHBondContact O-CB 3.35Å; N399-N402 PolarHBondContact O-N 3.11Å; N399-N402 VanDerWaalsContact O-N 3.15Å; N399-T403 PolarHBondContact O-N 3.44Å; N399-T403 PolarHBondContact O-OG1 3.19Å; N399-T403 VanDerWaalsContact O-OG1 3.06Å
400	K	91	Very high	84.8	Confident	59 Å²	59	50.2 Å²	50.2	26%	0.257	25%	0.251	S	S	.	.	H	α-helix	trans	-63.4	-42	175.6	-174.9	70.7	-178.9	-163.5	0	111.7	F301 E305 W396 L397 V398 N402 T403 S404	F301-K400 HydrophobicContact CD1-CG 4.3Å; F301-K400 HydrophobicContact CE1-CB 4.21Å; F301-K400 HydrophobicContact CE1-CG 3.6Å; F301-K400 HydrophobicContact CE2-CG 4.29Å; F301-K400 HydrophobicContact CZ-CB 3.99Å; F301-K400 HydrophobicContact CZ-CG 3.59Å; E305-K400 VanDerWaalsContact CD-NZ 3.29Å; E305-K400 WeakPolarHBondContact OE1-CE 3.46Å; E305-K400 IonicContact OE1-NZ 2.73Å; E305-K400 PolarHBondContact OE1-NZ 3.02Å; E305-K400 WeakPolarHBondContact OE2-CE 3.46Å; E305-K400 IonicContact OE2-NZ 2.61Å; E305-K400 PolarHBondContact OE2-NZ 3.23Å; W396-K400 HydrophobicContact CH2-CG 4.34Å; W396-K400 HydrophobicContact CZ2-CB 4.48Å; W396-K400 HydrophobicContact CZ2-CD 4.36Å; W396-K400 HydrophobicContact CZ2-CG 4.44Å; W396-K400 WeakPolarHBondContact O-CB 3.1Å; W396-K400 PolarHBondContact O-N 2.95Å; L397-K400 PolarHBondContact O-N 2.94Å; V398-K400 PolarHBondContact O-N 3.4Å; K400-N402 VanDerWaalsContact C-N 3.32Å; K400-N402 PolarHBondContact O-N 3.42Å; K400-T403 PolarHBondContact O-N 2.8Å; K400-S404 PolarHBondContact O-N 3.33Å; K400-S404 VanDerWaalsContact O-N 3.15Å
401	I	91.3	Very high	82.9	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-59	-45.8	171.8	-67.1	163.6	0	0	0	109.7	V185 L186 I222 I299 F301 L397 V398 T403 S404 L405	V185-I401 HydrophobicContact CG1-CD1 4.36Å; L186-I401 HydrophobicContact CD2-CD1 3.95Å; L186-I401 HydrophobicContact CG-CD1 4.25Å; I222-I401 HydrophobicContact CD1-CG2 3.85Å; I299-I401 HydrophobicContact CD1-CG1 4.5Å; I299-I401 HydrophobicContact CG2-CG1 4.11Å; F301-I401 HydrophobicContact CE2-CG1 4.35Å; F301-I401 HydrophobicContact CZ-CG1 4.48Å; L397-I401 HydrophobicContact CG-CD1 4.35Å; L397-I401 VanDerWaalsContact O-CG1 3.26Å; L397-I401 WeakPolarHBondContact O-CG1 3.2Å; L397-I401 PolarHBondContact O-N 3.27Å; V398-I401 WeakPolarHBondContact O-CB 3.4Å; V398-I401 PolarHBondContact O-N 2.73Å; I401-T403 PolarHBondContact O-N 3.05Å; I401-S404 WeakPolarHBondContact O-CA 3.36Å; I401-S404 WeakPolarHBondContact O-CB 3.44Å; I401-S404 PolarHBondContact O-N 3.45Å; I401-S404 PolarHBondContact O-OG 3.06Å; I401-L405 HydrophobicContact CG2-CD1 3.77Å; I401-L405 HydrophobicContact CG2-CG 4.28Å; I401-L405 WeakPolarHBondContact O-CG 3.43Å; I401-L405 PolarHBondContact O-N 3.28Å; I401-L405 VanDerWaalsContact O-N 3.1Å
402	N	91.1	Very high	81.1	Confident	9 Å²	9	58.7 Å²	58.7	5%	0.048	30%	0.298	C	S	.	.	H	α-helix	trans	-60.3	-41.6	177.7	-72.1	-25.2	0	0	0	112.8	I222 V398 N399 K400 S404 L405 T406	I222-N402 WeakPolarHBondContact CB-OD1 3.21Å; I222-N402 PolarHBondContact N-OD1 2.83Å; I222-N402 PolarHBondContact O-ND2 3.23Å; I222-N402 PolarHBondContact O-OD1 3.27Å; V398-N402 PolarHBondContact O-N 3.04Å; V398-N402 PolarHBondContact O-ND2 3.44Å; N399-N402 WeakPolarHBondContact O-CB 3.35Å; N399-N402 PolarHBondContact O-N 3.11Å; N399-N402 VanDerWaalsContact O-N 3.15Å; K400-N402 VanDerWaalsContact C-N 3.32Å; K400-N402 PolarHBondContact O-N 3.42Å; N402-S404 PolarHBondContact O-N 3.4Å; N402-L405 CarbonylContact O-C 3.47Å; N402-L405 PolarHBondContact O-N 2.97Å; N402-T406 PolarHBondContact O-N 2.89Å; N402-T406 PolarHBondContact O-OG1 3.15Å
403	T	89.1	Confident	79.5	Confident	102 Å²	102	65.1 Å²	65.1	63%	0.626	33%	0.328	S	S	*	.	H	α-helix	trans	-58.6	-37.3	173.9	-49.9	0	0	0	0	111.6	N399 K400 I401 L405	N399-T403 PolarHBondContact O-N 3.44Å; N399-T403 PolarHBondContact O-OG1 3.19Å; N399-T403 VanDerWaalsContact O-OG1 3.06Å; K400-T403 PolarHBondContact O-N 2.8Å; I401-T403 PolarHBondContact O-N 3.05Å; T403-L405 VanDerWaalsContact C-N 3.32Å; T403-L405 PolarHBondContact O-N 3.3Å
404	S	86.3	Confident	77.9	Confident	22 Å²	22	72.3 Å²	72.3	15%	0.154	37%	0.366	C	S	.	.	H	α-helix	trans	-71.5	-24.6	177	83.3	0	0	0	0	114.3	R178 I299 K400 I401 N402	R178-S404 PolarHBondContact NH1-O 3.08Å; I299-S404 WeakPolarHBondContact CG2-OG 3.43Å; I299-S404 WeakPolarHBondContact O-CB 3.2Å; K400-S404 PolarHBondContact O-N 3.33Å; K400-S404 VanDerWaalsContact O-N 3.15Å; I401-S404 WeakPolarHBondContact O-CA 3.36Å; I401-S404 WeakPolarHBondContact O-CB 3.44Å; I401-S404 PolarHBondContact O-N 3.45Å; I401-S404 PolarHBondContact O-OG 3.06Å; N402-S404 PolarHBondContact O-N 3.4Å
405	L	84.1	Confident	76.9	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-94.6	-11.8	-179.1	-65.3	175.1	0	0	0	113.1	R178 L179 G219 G220 I222 I401 N402 T403 Y407	R178-L405 HydrophobicContact CB-CD2 3.79Å; L179-L405 HydrophobicContact CB-CD2 3.98Å; G219-L405 WeakPolarHBondContact CA-O 3.37Å; G220-L405 PolarHBondContact N-O 3.45Å; G220-L405 VanDerWaalsContact N-O 3.16Å; G220-L405 VanDerWaalsContact O-CB 3.25Å; G220-L405 WeakPolarHBondContact O-CB 3.36Å; I222-L405 HydrophobicContact CD1-CD1 3.93Å; I222-L405 HydrophobicContact CG1-CD1 4.17Å; I401-L405 HydrophobicContact CG2-CD1 3.77Å; I401-L405 HydrophobicContact CG2-CG 4.28Å; I401-L405 WeakPolarHBondContact O-CG 3.43Å; I401-L405 PolarHBondContact O-N 3.28Å; I401-L405 VanDerWaalsContact O-N 3.1Å; N402-L405 CarbonylContact O-C 3.47Å; N402-L405 PolarHBondContact O-N 2.97Å; T403-L405 VanDerWaalsContact C-N 3.32Å; T403-L405 PolarHBondContact O-N 3.3Å; L405-Y407 PolarHBondContact O-N 3.43Å
406	T	81.7	Confident	76.7	Confident	84 Å²	84	72.2 Å²	72.2	52%	0.515	37%	0.37	S	S	.	.	S	Bend	trans	-67.3	131.1	-177.9	-58.4	0	0	0	0	110.5	N402	N402-T406 PolarHBondContact O-N 2.89Å; N402-T406 PolarHBondContact O-OG1 3.15Å
407	Y	69.3	Low	76.6	Confident	80 Å²	80	72 Å²	72	31%	0.314	37%	0.371	S	S	.	.			trans	-72.9	129.1	176.4	-171.8	-117.6	0	0	0	110.6	V218 L405 D409	V218-Y407 HydrophobicContact CB-CD2 3.64Å; V218-Y407 HydrophobicContact CB-CE2 3.67Å; V218-Y407 HydrophobicContact CB-CG 4.14Å; V218-Y407 HydrophobicContact CG1-CD2 4.42Å; V218-Y407 HydrophobicContact CG1-CE2 3.94Å; V218-Y407 HydrophobicContact CG2-CD2 4.38Å; V218-Y407 HydrophobicContact CG2-CG 4.39Å; V218-Y407 VanDerWaalsContact O-CD2 3.23Å; V218-Y407 WeakPolarHBondContact O-CD2 3.45Å; L405-Y407 PolarHBondContact O-N 3.43Å; Y407-D409 HydrophobicContact CD1-CB 4.01Å; Y407-D409 HydrophobicContact CE1-CB 3.37Å; Y407-D409 PolarHBondContact O-N 3Å
408	K	65.3	Low	76.6	Confident	203 Å²	203	72 Å²	72	88%	0.883	37%	0.371	S	S	*	.	S	Bend	trans	-83.9	-4.1	-170.3	-67.7	-173.7	175.9	-174.5	0	115
409	D	61.7	Low	76.6	Confident	86 Å²	86	72 Å²	72	46%	0.46	37%	0.371	S	S	.	.			trans	-104.7	102.9	-174.5	-141.9	-29.3	0	0	0	110.7	Y407 S411	Y407-D409 HydrophobicContact CD1-CB 4.01Å; Y407-D409 HydrophobicContact CE1-CB 3.37Å; Y407-D409 PolarHBondContact O-N 3Å; D409-S411 VanDerWaalsContact CG-OG 3.32Å; D409-S411 PolarHBondContact O-N 2.99Å; D409-S411 PolarHBondContact OD1-OG 3.39Å
410	E	53.3	Low	76.6	Confident	176 Å²	176	68 Å²	68	82%	0.822	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-9.4	-178.2	-68.2	-160.5	157.2	0	0	114	H412	E410-H412 PolarHBondContact O-N 2.97Å
411	S	52.6	Low	76.6	Confident	81 Å²	81	65.2 Å²	65.2	57%	0.566	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-13.2	-178.4	55.7	0	0	0	0	114.1	D409	D409-S411 VanDerWaalsContact CG-OG 3.32Å; D409-S411 PolarHBondContact O-N 2.99Å; D409-S411 PolarHBondContact OD1-OG 3.39Å
412	H	52.6	Low	76.3	Confident	106 Å²	106	65.5 Å²	65.5	49%	0.491	34%	0.339	S	S	.	.			trans	-119.6	66.9	-175.6	-72.7	-65.5	0	0	0	113.5	E410 N414	E410-H412 PolarHBondContact O-N 2.97Å; H412-N414 PolarHBondContact O-N 2.76Å; H412-N414 VanDerWaalsContact O-N 3.12Å
413	K	54.8	Low	75.6	Confident	191 Å²	191	65.3 Å²	65.3	83%	0.83	34%	0.338	S	S	*	.			trans	-66	-4.1	172	-72.4	-175.8	177.7	179.1	0	115.3
414	N	61.1	Low	74.8	Confident	152 Å²	152	61 Å²	61	81%	0.813	31%	0.31	S	S	*	.			trans	-113.4	48.8	-177.3	-66.7	-8.2	0	0	0	112	H412	H412-N414 PolarHBondContact O-N 2.76Å; H412-N414 VanDerWaalsContact O-N 3.12Å
415	A	70.8	Confident	74.1	Confident	33 Å²	33	60.2 Å²	60.2	27%	0.273	31%	0.306	S	S	.	.			trans	-77.3	133.4	171.8	0	0	0	0	0	110	Q210 F211	Q210-A415 HydrophobicContact CB-CB 4.46Å; F211-A415 WeakPolarHBondContact O-CA 3.24Å; F211-A415 WeakPolarHBondContact O-CB 3.35Å
416	S	86.8	Confident	73.8	Confident	26 Å²	26	60.5 Å²	60.5	18%	0.182	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	149.2	170.6	-63.9	0	0	0	0	109.9	D138 F211	D138-S416 WeakPolarHBondContact OD1-CA 3.48Å; F211-S416 PolarHBondContact N-O 3.01Å; F211-S416 PolarHBondContact O-N 2.79Å; F211-S416 VanDerWaalsContact O-N 3.1Å
417	V	90.5	Very high	73.5	Confident	16 Å²	16	57 Å²	57	10%	0.097	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	137.3	-171.9	-177.2	0	0	0	0	111.5	D138 Q139 D208 V209 Q210	D138-V417 WeakPolarHBondContact CA-O 3.33Å; D138-V417 PolarHBondContact OD1-N 3.11Å; Q139-V417 PolarHBondContact N-O 2.85Å; D208-V417 HydrophobicContact CB-CG1 3.53Å; D208-V417 VanDerWaalsContact CG-CG1 3.43Å; D208-V417 VanDerWaalsContact OD1-CG1 3.25Å; D208-V417 WeakPolarHBondContact OD1-CG1 3.43Å; V209-V417 WeakPolarHBondContact O-CA 3.44Å; Q210-V417 HydrophobicContact CG-CG2 4.26Å
418	I	92.6	Very high	73.9	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	107.2	162.4	-52.2	-178.6	0	0	0	108.2	Y129 M132 Q139 I141 Y162 V209 F211	Y129-I418 HydrophobicContact CD2-CD1 4.37Å; M132-I418 HydrophobicContact CE-CD1 4.25Å; M132-I418 HydrophobicContact CG-CG1 4.44Å; M132-I418 HydrophobicContact SD-CD1 3.86Å; M132-I418 HydrophobicContact SD-CG1 3.5Å; M132-I418 VanDerWaalsContact SD-CG1 3.5Å; Q139-I418 HydrophobicContact CB-CG1 4.27Å; Q139-I418 HydrophobicContact CB-CG2 4.33Å; Q139-I418 CarbonylContact O-C 3.58Å; Q139-I418 WeakPolarHBondContact O-CA 3.31Å; I141-I418 HydrophobicContact CD1-CG2 4.45Å; I141-I418 HydrophobicContact CG1-CG2 4.49Å; Y162-I418 HydrophobicContact CE1-CD1 4.32Å; Y162-I418 HydrophobicContact CE2-CD1 4.27Å; Y162-I418 HydrophobicContact CE2-CG2 4.18Å; V209-I418 PolarHBondContact N-O 2.68Å; V209-I418 PolarHBondContact O-N 2.73Å; F211-I418 HydrophobicContact CD2-CD1 4.3Å; F211-I418 HydrophobicContact CD2-CG1 4.02Å; F211-I418 HydrophobicContact CE2-CB 3.83Å; F211-I418 HydrophobicContact CE2-CD1 3.61Å; F211-I418 HydrophobicContact CE2-CG1 3.53Å; F211-I418 HydrophobicContact CZ-CD1 3.92Å; F211-I418 HydrophobicContact CZ-CG1 4.34Å
419	G	91.9	Very high	74.5	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	140.9	174	0	0	0	0	0	111.7	Q139 C140 I141 M207 D208	Q139-G419 PolarHBondContact O-N 2.98Å; C140-G419 CarbonylContact C-O 3.48Å; C140-G419 VanDerWaalsContact CA-O 3.25Å; C140-G419 WeakPolarHBondContact CA-O 3.38Å; I141-G419 PolarHBondContact N-O 2.72Å; M207-G419 CarbonylContact O-C 3.54Å; M207-G419 WeakPolarHBondContact O-CA 3.39Å; D208-G419 WeakPolarHBondContact OD1-CA 3.5Å
420	L	91.8	Very high	75.1	Confident	2 Å²	2	52.4 Å²	52.4	1%	0.01	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	117.5	171.9	-58.9	-179.6	0	0	0	108.3	I141 I158 L159 Y206 M207	I141-L420 HydrophobicContact CB-CD2 3.76Å; I141-L420 HydrophobicContact CD1-CD2 3.94Å; I141-L420 HydrophobicContact CG1-CD2 4.11Å; I158-L420 HydrophobicContact CG2-CD1 4.19Å; I158-L420 HydrophobicContact CG2-CD2 3.78Å; L159-L420 HydrophobicContact CD1-CD1 4.24Å; L159-L420 HydrophobicContact CD2-CD1 3.39Å; L159-L420 HydrophobicContact CG-CD1 3.57Å; Y206-L420 CarbonylContact C-O 3.54Å; Y206-L420 WeakPolarHBondContact CA-O 3.46Å; M207-L420 PolarHBondContact N-O 3.37Å; M207-L420 PolarHBondContact O-N 3.01Å
421	L	89.5	Confident	76.3	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	111.2	175.2	-175.3	64.9	0	0	0	109.7	I141 L142 I143 Y206 I423 L446 L612 L616	I141-L421 PolarHBondContact O-N 3.42Å; L142-L421 HydrophobicContact CD2-CD2 4.06Å; L142-L421 HydrophobicContact CG-CB 4.37Å; L142-L421 HydrophobicContact CG-CD2 4.2Å; I143-L421 PolarHBondContact N-O 3.27Å; Y206-L421 HydrophobicContact CD2-CB 4.03Å; Y206-L421 HydrophobicContact CD2-CD1 4.01Å; Y206-L421 HydrophobicContact CG-CD1 4.49Å; L421-I423 HydrophobicContact CD1-CB 4.49Å; L421-I423 HydrophobicContact CG-CB 4.37Å; L421-L446 HydrophobicContact CD2-CD1 4.23Å; L421-L446 HydrophobicContact CD2-CD2 3.83Å; L421-L612 HydrophobicContact CD1-CD1 4.22Å; L421-L612 HydrophobicContact CD1-CD2 4.14Å; L421-L612 HydrophobicContact CD2-CD2 4.49Å; L421-L616 HydrophobicContact CD2-CD1 3.98Å; L421-L616 HydrophobicContact CD2-CD2 4.39Å
422	D	84.8	Confident	77.8	Confident	6 Å²	6	47.1 Å²	47.1	3%	0.032	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	102.2	168.8	-174.5	8	0	0	0	108	K151 T152 K205	K151-D422 WeakPolarHBondContact CB-OD1 3.38Å; T152-D422 WeakPolarHBondContact CA-OD2 3.36Å; T152-D422 PolarHBondContact OG1-OD2 3.14Å; K205-D422 PolarHBondContact N-O 3.19Å; K205-D422 PolarHBondContact O-N 3.3Å
423	I	76.6	Confident	79.4	Confident	5 Å²	5	43 Å²	43	3%	0.026	22%	0.218	C	C	.	.			trans	-120.6	153.7	-177	-161	164.8	0	0	0	111.3	K151 L421 C442 L446	K151-I423 WeakPolarHBondContact CD-O 3.34Å; K151-I423 WeakPolarHBondContact CE-O 3.43Å; L421-I423 HydrophobicContact CD1-CB 4.49Å; L421-I423 HydrophobicContact CG-CB 4.37Å; I423-C442 WeakPolarHBondContact CD1-SG 3.19Å; I423-L446 HydrophobicContact CD1-CD1 3.73Å; I423-L446 HydrophobicContact CG2-CD1 3.71Å
424	Y	72.5	Confident	80.8	Confident	12 Å²	12	34.6 Å²	34.6	5%	0.047	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-54.4	141.3	172.1	39.1	-103.5	0	0	0	110.7	L226 I439 C442 N443	L226-Y424 HydrophobicContact CB-CE1 4.05Å; L226-Y424 HydrophobicContact CD1-CE1 4.48Å; L226-Y424 WeakPolarHBondContact CD1-OH 3.42Å; Y424-I439 HydrophobicContact CD1-CG1 4.36Å; Y424-I439 HydrophobicContact CD2-CB 3.89Å; Y424-I439 HydrophobicContact CD2-CG1 3.69Å; Y424-I439 HydrophobicContact CD2-CG2 3.55Å; Y424-I439 HydrophobicContact CE1-CG1 4.49Å; Y424-I439 HydrophobicContact CE2-CB 4.02Å; Y424-I439 HydrophobicContact CE2-CG1 3.83Å; Y424-I439 HydrophobicContact CE2-CG2 4.12Å; Y424-I439 HydrophobicContact CG-CD1 4.47Å; Y424-I439 HydrophobicContact CG-CG1 3.97Å; Y424-I439 HydrophobicContact CG-CG2 4.26Å; Y424-C442 HydrophobicContact CE2-CB 4.11Å; Y424-N443 PolarHBondContact O-ND2 3.44Å; Y424-N443 PolarHBondContact O-OD1 3.42Å
425	G	71.8	Confident	81.6	Confident	5 Å²	5	28.8 Å²	28.8	5%	0.052	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-77.6	171.5	175	0	0	0	0	0	111.3	G145 E427 I439	G145-G425 WeakPolarHBondContact O-CA 3.49Å; G425-E427 PolarHBondContact O-N 3.48Å; G425-I439 WeakPolarHBondContact O-CG2 3.4Å
426	F	77.3	Confident	82.3	Confident	6 Å²	6	27.8 Å²	27.8	3%	0.026	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-55.6	130.2	168.7	-160.7	-89.3	0	0	0	110.4	V428 N440 N443 H547 Y548 A549 V552 Y649	F426-V428 HydrophobicContact CD1-CG2 3.69Å; F426-V428 HydrophobicContact CE1-CG2 3.4Å; F426-V428 VanDerWaalsContact CE1-CG2 3.4Å; F426-N440 HydrophobicContact CD2-CB 4.17Å; F426-N440 WeakPolarHBondContact CD2-OD1 3.45Å; F426-N440 HydrophobicContact CE2-CB 3.69Å; F426-N440 HydrophobicContact CZ-CB 4.07Å; F426-N443 HydrophobicContact CD2-CB 4.05Å; F426-H547 HydrophobicContact CE2-CB 3.83Å; F426-H547 AromaticContact CE2-CG 3.86Å; F426-H547 HydrophobicContact CZ-CB 3.55Å; F426-H547 AromaticContact CZ-CD2 3.94Å; F426-H547 AromaticContact CZ-CG 3.64Å; F426-Y548 HydrophobicContact CD2-CE1 4.05Å; F426-Y548 HydrophobicContact CE2-CE1 4.27Å; F426-A549 HydrophobicContact CD1-CB 3.62Å; F426-A549 HydrophobicContact CD2-CB 3.86Å; F426-A549 HydrophobicContact CE1-CB 3.46Å; F426-A549 VanDerWaalsContact CE1-CB 3.46Å; F426-A549 HydrophobicContact CE2-CB 3.72Å; F426-A549 HydrophobicContact CG-CB 3.83Å; F426-A549 HydrophobicContact CZ-CB 3.54Å; F426-V552 HydrophobicContact CE1-CG2 3.79Å; F426-V552 HydrophobicContact CZ-CG2 3.84Å; F426-Y649 HydrophobicContact CB-CD2 4.14Å
427	E	77.3	Confident	82.4	Confident	9 Å²	9	26.7 Å²	26.7	4%	0.042	13%	0.131	C	C	.	.			trans	-115.9	124.5	-176.9	-71.1	-168.7	165.4	0	0	111	R202 G425 F429 Q436 I439 N440	R202-E427 IonicContact CZ-OE1 3.95Å; R202-E427 IonicContact NH1-OE1 2.74Å; R202-E427 PolarHBondContact NH1-OE1 3.31Å; R202-E427 IonicContact NH1-OE2 3.09Å; R202-E427 IonicContact NH2-OE2 3.93Å; G425-E427 PolarHBondContact O-N 3.48Å; E427-F429 HydrophobicContact CB-CE1 4.44Å; E427-F429 HydrophobicContact CB-CE2 4.44Å; E427-F429 HydrophobicContact CB-CZ 4.17Å; E427-F429 HydrophobicContact CG-CZ 4.06Å; E427-F429 WeakPolarHBondContact OE2-CE2 3.48Å; E427-F429 WeakPolarHBondContact OE2-CZ 3.35Å; E427-Q436 HydrophobicContact CB-CG 4.1Å; E427-Q436 PolarHBondContact OE2-NE2 3.48Å; E427-I439 HydrophobicContact CB-CG2 4.26Å; E427-I439 HydrophobicContact CG-CG2 4.07Å; E427-N440 PolarHBondContact N-OD1 2.75Å; E427-N440 PolarHBondContact O-ND2 3.06Å; E427-N440 PolarHBondContact O-OD1 3.49Å
428	V	77.4	Confident	82.1	Confident	43 Å²	43	26.3 Å²	26.3	26%	0.261	13%	0.129	S	C	.	.			trans	-129.4	104.7	171.7	-171.2	0	0	0	0	108.6	R196 F426 V552	R196-V428 PolarHBondContact NH2-O 2.8Å; F426-V428 HydrophobicContact CD1-CG2 3.69Å; F426-V428 HydrophobicContact CE1-CG2 3.4Å; F426-V428 VanDerWaalsContact CE1-CG2 3.4Å; V428-V552 HydrophobicContact CG1-CG2 4.44Å; V428-V552 HydrophobicContact CG2-CG2 3.83Å
429	F	76.9	Confident	81.7	Confident	46 Å²	46	26.9 Å²	26.9	20%	0.202	13%	0.132	C	C	.	.			trans	-106.2	172.7	177	-59.7	-28.3	0	0	0	111.3	E427 H431 N432 Q436	E427-F429 HydrophobicContact CB-CE1 4.44Å; E427-F429 HydrophobicContact CB-CE2 4.44Å; E427-F429 HydrophobicContact CB-CZ 4.17Å; E427-F429 HydrophobicContact CG-CZ 4.06Å; E427-F429 WeakPolarHBondContact OE2-CE2 3.48Å; E427-F429 WeakPolarHBondContact OE2-CZ 3.35Å; F429-H431 VanDerWaalsContact C-N 3.27Å; F429-N432 PolarHBondContact N-OD1 3.03Å; F429-N432 PolarHBondContact O-ND2 2.95Å; F429-Q436 HydrophobicContact CD2-CG 4.03Å; F429-Q436 HydrophobicContact CE2-CG 4.28Å
430	Q	74.8	Confident	81.4	Confident	185 Å²	185	26.9 Å²	26.9	86%	0.864	13%	0.132	S	C	*	.	S	Bend	trans	-64.8	-35.2	172.6	-71.2	178.7	-11.2	0	0	111.5
431	H	77.9	Confident	81.3	Confident	139 Å²	139	27 Å²	27	64%	0.644	13%	0.132	S	C	*	.	S	Bend	trans	-124.6	110.9	173.4	-59.4	-70	0	0	0	108.5	F429	F429-H431 VanDerWaalsContact C-N 3.27Å
432	N	84.5	Confident	81.1	Confident	7 Å²	7	27 Å²	27	4%	0.037	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-104.3	134.7	176.1	-49.7	-77.5	0	0	0	109.1	F429 Q436 V552 N553 Y554 N555	F429-N432 PolarHBondContact N-OD1 3.03Å; F429-N432 PolarHBondContact O-ND2 2.95Å; N432-Q436 HydrophobicContact CB-CB 3.91Å; N432-Q436 HydrophobicContact CB-CG 4.14Å; N432-V552 HydrophobicContact CB-CG1 4.18Å; N432-N553 VanDerWaalsContact CB-O 3.3Å; N432-N553 WeakPolarHBondContact CB-O 3.4Å; N432-N553 PolarHBondContact ND2-O 3.41Å; N432-Y554 HydrophobicContact CB-CD1 3.69Å; N432-Y554 HydrophobicContact CB-CE1 4.04Å; N432-Y554 WeakPolarHBondContact O-CA 3.26Å; N432-N555 PolarHBondContact O-N 2.66Å
433	S	85.6	Confident	81	Confident	20 Å²	20	27.2 Å²	27.2	14%	0.14	13%	0.134	C	C	.	.			trans	-122.6	-164.6	178.7	-164.6	0	0	0	0	110.7	E435 Q436 F437 K562	S433-E435 PolarHBondContact O-N 3.06Å; S433-Q436 PolarHBondContact O-N 2.91Å; S433-Q436 VanDerWaalsContact O-N 3.17Å; S433-F437 PolarHBondContact O-N 2.8Å; S433-F437 VanDerWaalsContact O-N 3.11Å; S433-K562 PolarHBondContact OG-NZ 2.95Å
434	F	83.6	Confident	81.5	Confident	14 Å²	14	27 Å²	27	6%	0.061	13%	0.133	C	C	.	.	H	α-helix	trans	-53.5	-38.5	-178.4	177.6	-103.3	0	0	0	112.8	Q436 F437 C438 L495 F559 K562 N563 A601 A602	F434-Q436 PolarHBondContact O-N 3.43Å; F434-F437 WeakPolarHBondContact O-CB 3.49Å; F434-F437 PolarHBondContact O-N 3.16Å; F434-C438 PolarHBondContact O-N 2.74Å; F434-C438 PolarHBondContact O-SG 2.93Å; F434-L495 HydrophobicContact CD2-CD2 4.23Å; F434-L495 HydrophobicContact CE2-CD2 3.76Å; F434-F559 HydrophobicContact CB-CD1 4.42Å; F434-F559 HydrophobicContact CB-CD2 4.08Å; F434-F559 HydrophobicContact CB-CE1 4.35Å; F434-F559 HydrophobicContact CB-CE2 3.99Å; F434-F559 HydrophobicContact CB-CG 4.29Å; F434-F559 HydrophobicContact CB-CZ 4.15Å; F434-F559 AromaticContact CD2-CD1 3.97Å; F434-F559 HydrophobicContact CD2-CD1 3.97Å; F434-F559 HydrophobicContact CD2-CE1 4.09Å; F434-F559 HydrophobicContact CD2-CG 4.46Å; F434-K562 HydrophobicContact CB-CB 4.19Å; F434-K562 HydrophobicContact CB-CD 3.74Å; F434-K562 HydrophobicContact CD1-CB 3.83Å; F434-K562 HydrophobicContact CD1-CD 4.49Å; F434-K562 HydrophobicContact CE1-CB 4.46Å; F434-K562 HydrophobicContact CG-CB 4.09Å; F434-K562 HydrophobicContact CG-CD 4.47Å; F434-N563 HydrophobicContact CE2-CB 4.32Å; F434-N563 HydrophobicContact CZ-CB 4.41Å; F434-A601 HydrophobicContact CE1-CB 4.31Å; F434-A601 HydrophobicContact CZ-CB 4.31Å; F434-A602 HydrophobicContact CE2-CB 4.1Å; F434-A602 HydrophobicContact CZ-CB 4Å
435	E	79.1	Confident	82.2	Confident	29 Å²	29	27.5 Å²	27.5	14%	0.136	14%	0.135	C	C	.	.	H	α-helix	trans	-62.3	-46.3	179.4	-63.5	84.5	171.3	0	0	112	E228 S230 S433 F437 C438 I439 K562	E228-E435 HydrophobicContact CG-CG 4.15Å; S230-E435 VanDerWaalsContact CB-OE1 3.31Å; S230-E435 WeakPolarHBondContact CB-OE1 3.08Å; S230-E435 PolarHBondContact OG-OE1 2.94Å; S433-E435 PolarHBondContact O-N 3.06Å; E435-F437 VanDerWaalsContact C-N 3.3Å; E435-F437 PolarHBondContact O-N 2.75Å; E435-C438 PolarHBondContact O-N 3.49Å; E435-I439 WeakPolarHBondContact O-CB 3.28Å; E435-I439 VanDerWaalsContact O-CG1 3.3Å; E435-I439 WeakPolarHBondContact O-CG1 3.33Å; E435-I439 PolarHBondContact O-N 2.78Å; E435-K562 WeakPolarHBondContact OE1-CE 3.45Å; E435-K562 IonicContact OE1-NZ 3.07Å; E435-K562 PolarHBondContact OE1-NZ 2.99Å; E435-K562 IonicContact OE2-NZ 3.96Å; E435-K562 PolarHBondContact OE2-NZ 3.44Å
436	Q	84.5	Confident	82.8	Confident	13 Å²	13	28 Å²	28	6%	0.061	14%	0.137	C	C	.	.	H	α-helix	trans	-64.6	-37.4	176	-76.9	67.8	51.3	0	0	111.1	E427 F429 N432 S433 F434 I439 N440 Y554	E427-Q436 HydrophobicContact CB-CG 4.1Å; E427-Q436 PolarHBondContact OE2-NE2 3.48Å; F429-Q436 HydrophobicContact CD2-CG 4.03Å; F429-Q436 HydrophobicContact CE2-CG 4.28Å; N432-Q436 HydrophobicContact CB-CB 3.91Å; N432-Q436 HydrophobicContact CB-CG 4.14Å; S433-Q436 PolarHBondContact O-N 2.91Å; S433-Q436 VanDerWaalsContact O-N 3.17Å; F434-Q436 PolarHBondContact O-N 3.43Å; Q436-I439 PolarHBondContact O-N 3.39Å; Q436-N440 VanDerWaalsContact O-CB 3.28Å; Q436-N440 WeakPolarHBondContact O-CB 3.2Å; Q436-N440 PolarHBondContact O-N 2.77Å; Q436-N440 PolarHBondContact O-ND2 3.02Å; Q436-Y554 HydrophobicContact CB-CE1 4.06Å
437	F	88.9	Confident	83	Confident	2 Å²	2	28.1 Å²	28.1	1%	0.009	14%	0.137	C	C	.	.	H	α-helix	trans	-59.5	-47.9	176.3	170.9	-99.9	0	0	0	111.4	S433 F434 E435 N440 Y441 V484 I491 I492 F543 L545 Y554 F559	S433-F437 PolarHBondContact O-N 2.8Å; S433-F437 VanDerWaalsContact O-N 3.11Å; F434-F437 WeakPolarHBondContact O-CB 3.49Å; F434-F437 PolarHBondContact O-N 3.16Å; E435-F437 VanDerWaalsContact C-N 3.3Å; E435-F437 PolarHBondContact O-N 2.75Å; F437-N440 PolarHBondContact O-N 2.84Å; F437-Y441 WeakPolarHBondContact O-CB 3.26Å; F437-Y441 PolarHBondContact O-N 2.88Å; F437-V484 HydrophobicContact CE1-CG1 4.4Å; F437-V484 HydrophobicContact CE2-CG1 4.36Å; F437-V484 HydrophobicContact CE2-CG2 4.26Å; F437-V484 HydrophobicContact CZ-CG1 3.71Å; F437-V484 HydrophobicContact CZ-CG2 4.38Å; F437-I491 HydrophobicContact CE1-CG2 4.41Å; F437-I491 HydrophobicContact CE2-CD1 4.12Å; F437-I491 HydrophobicContact CE2-CG2 4.04Å; F437-I491 HydrophobicContact CZ-CB 4.04Å; F437-I491 HydrophobicContact CZ-CD1 4.45Å; F437-I491 HydrophobicContact CZ-CG2 3.61Å; F437-I492 HydrophobicContact CE1-CG1 4.23Å; F437-I492 HydrophobicContact CZ-CG1 4.48Å; F437-F543 HydrophobicContact CD2-CE2 4.47Å; F437-F543 HydrophobicContact CD2-CZ 4.3Å; F437-L545 HydrophobicContact CD2-CD1 4.08Å; F437-L545 HydrophobicContact CE2-CD1 3.83Å; F437-Y554 HydrophobicContact CB-CD1 3.92Å; F437-Y554 HydrophobicContact CB-CE1 3.82Å; F437-Y554 HydrophobicContact CD2-CE2 4.49Å; F437-F559 HydrophobicContact CB-CE1 4.44Å; F437-F559 HydrophobicContact CB-CZ 4.23Å; F437-F559 HydrophobicContact CG-CE1 4.42Å
438	C	85.8	Confident	83.4	Confident	8 Å²	8	29 Å²	29	5%	0.054	14%	0.141	C	C	.	.	H	α-helix	trans	-62.6	-44.5	175.5	-66.4	0	0	0	0	112.4	L226 F434 E435 N440 Y441 C442 F605	L226-C438 HydrophobicContact CD1-CB 3.83Å; F434-C438 PolarHBondContact O-N 2.74Å; F434-C438 PolarHBondContact O-SG 2.93Å; E435-C438 PolarHBondContact O-N 3.49Å; C438-N440 PolarHBondContact O-N 3.44Å; C438-Y441 PolarHBondContact O-N 3.48Å; C438-C442 PolarHBondContact O-N 3.39Å; C438-C442 VanDerWaalsContact O-N 3.09Å; C438-F605 HydrophobicContact CB-CD1 3.86Å; C438-F605 HydrophobicContact CB-CE1 3.56Å; C438-F605 HydrophobicContact CB-CZ 4.23Å; C438-F605 WeakPolarHBondContact O-CE1 3.45Å; C438-F605 VanDerWaalsContact O-CZ 3.26Å; C438-F605 WeakPolarHBondContact O-CZ 3.37Å
439	I	83.1	Confident	83.7	Confident	12 Å²	12	27.5 Å²	27.5	6%	0.062	13%	0.132	C	C	.	.	H	α-helix	trans	-58.9	-46.3	178	-76.5	168.6	0	0	0	111.6	Y424 G425 E427 E435 Q436 C442 N443	Y424-I439 HydrophobicContact CD1-CG1 4.36Å; Y424-I439 HydrophobicContact CD2-CB 3.89Å; Y424-I439 HydrophobicContact CD2-CG1 3.69Å; Y424-I439 HydrophobicContact CD2-CG2 3.55Å; Y424-I439 HydrophobicContact CE1-CG1 4.49Å; Y424-I439 HydrophobicContact CE2-CB 4.02Å; Y424-I439 HydrophobicContact CE2-CG1 3.83Å; Y424-I439 HydrophobicContact CE2-CG2 4.12Å; Y424-I439 HydrophobicContact CG-CD1 4.47Å; Y424-I439 HydrophobicContact CG-CG1 3.97Å; Y424-I439 HydrophobicContact CG-CG2 4.26Å; G425-I439 WeakPolarHBondContact O-CG2 3.4Å; E427-I439 HydrophobicContact CB-CG2 4.26Å; E427-I439 HydrophobicContact CG-CG2 4.07Å; E435-I439 WeakPolarHBondContact O-CB 3.28Å; E435-I439 VanDerWaalsContact O-CG1 3.3Å; E435-I439 WeakPolarHBondContact O-CG1 3.33Å; E435-I439 PolarHBondContact O-N 2.78Å; Q436-I439 PolarHBondContact O-N 3.39Å; I439-C442 PolarHBondContact O-N 3.42Å; I439-N443 PolarHBondContact O-N 2.98Å; I439-N443 VanDerWaalsContact O-N 3.13Å; I439-N443 PolarHBondContact O-ND2 2.87Å
440	N	86.7	Confident	83.9	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-72.5	-38.7	-177.4	-70.1	-18.6	0	0	0	111.7	F426 E427 Q436 F437 C438 C442 N443 E444 Y554	F426-N440 HydrophobicContact CD2-CB 4.17Å; F426-N440 WeakPolarHBondContact CD2-OD1 3.45Å; F426-N440 HydrophobicContact CE2-CB 3.69Å; F426-N440 HydrophobicContact CZ-CB 4.07Å; E427-N440 PolarHBondContact N-OD1 2.75Å; E427-N440 PolarHBondContact O-ND2 3.06Å; E427-N440 PolarHBondContact O-OD1 3.49Å; Q436-N440 VanDerWaalsContact O-CB 3.28Å; Q436-N440 WeakPolarHBondContact O-CB 3.2Å; Q436-N440 PolarHBondContact O-N 2.77Å; Q436-N440 PolarHBondContact O-ND2 3.02Å; F437-N440 PolarHBondContact O-N 2.84Å; C438-N440 PolarHBondContact O-N 3.44Å; N440-C442 VanDerWaalsContact C-N 3.33Å; N440-C442 PolarHBondContact O-N 3.03Å; N440-N443 PolarHBondContact O-N 3.44Å; N440-E444 PolarHBondContact O-N 3.44Å; N440-Y554 WeakPolarHBondContact CB-OH 3.3Å; N440-Y554 PolarHBondContact ND2-OH 3.41Å
441	Y	88.4	Confident	84	Confident	4 Å²	4	18 Å²	18	2%	0.016	9%	0.088	C	C	.	.	H	α-helix	trans	-58.3	-42.7	171.8	166.3	-120.7	0	0	0	112.2	F437 C438 E444 K445 V484 E485 I492 F605 L609	F437-Y441 WeakPolarHBondContact O-CB 3.26Å; F437-Y441 PolarHBondContact O-N 2.88Å; C438-Y441 PolarHBondContact O-N 3.48Å; Y441-E444 WeakPolarHBondContact O-CB 3.19Å; Y441-E444 PolarHBondContact O-N 2.91Å; Y441-K445 HydrophobicContact CD2-CG 4.22Å; Y441-K445 HydrophobicContact CE2-CD 4.41Å; Y441-K445 HydrophobicContact CE2-CG 3.74Å; Y441-K445 PolarHBondContact O-N 3.28Å; Y441-V484 HydrophobicContact CD1-CG1 4.27Å; Y441-V484 HydrophobicContact CD2-CB 3.77Å; Y441-V484 HydrophobicContact CD2-CG1 3.38Å; Y441-V484 HydrophobicContact CD2-CG2 4.3Å; Y441-V484 HydrophobicContact CE2-CB 4.07Å; Y441-V484 HydrophobicContact CE2-CG1 3.75Å; Y441-V484 HydrophobicContact CG-CG1 3.68Å; Y441-E485 HydrophobicContact CE2-CB 4.11Å; Y441-E485 WeakPolarHBondContact OH-CB 3.27Å; Y441-E485 PolarHBondContact OH-OE2 3.49Å; Y441-I492 HydrophobicContact CD1-CD1 4.43Å; Y441-I492 HydrophobicContact CE1-CD1 4.15Å; Y441-F605 HydrophobicContact CD1-CD1 4.21Å; Y441-F605 AromaticContact CD1-CE1 3.67Å; Y441-F605 HydrophobicContact CD1-CE1 3.67Å; Y441-F605 HydrophobicContact CE1-CE1 4.28Å; Y441-L609 HydrophobicContact CD1-CD2 3.99Å; Y441-L609 HydrophobicContact CE1-CD2 3.51Å
442	C	85.8	Confident	84.1	Confident	1 Å²	1	16.3 Å²	16.3	1%	0.007	8%	0.08	C	C	.	.	H	α-helix	trans	-66.4	-39	176.3	169.3	0	0	0	0	113.3	I423 Y424 C438 I439 N440 E444 K445 L446 F605 L609	I423-C442 WeakPolarHBondContact CD1-SG 3.19Å; Y424-C442 HydrophobicContact CE2-CB 4.11Å; C438-C442 PolarHBondContact O-N 3.39Å; C438-C442 VanDerWaalsContact O-N 3.09Å; I439-C442 PolarHBondContact O-N 3.42Å; N440-C442 VanDerWaalsContact C-N 3.33Å; N440-C442 PolarHBondContact O-N 3.03Å; C442-E444 VanDerWaalsContact C-N 3.34Å; C442-K445 PolarHBondContact O-N 3.24Å; C442-L446 WeakPolarHBondContact O-CG 3.22Å; C442-L446 PolarHBondContact O-N 3.23Å; C442-F605 HydrophobicContact CB-CE1 4.46Å; C442-F605 HydrophobicContact CB-CE2 4.33Å; C442-F605 HydrophobicContact CB-CZ 3.57Å; C442-L609 HydrophobicContact CB-CD1 3.95Å; C442-L609 HydrophobicContact CB-CD2 4.11Å; C442-L609 WeakPolarHBondContact SG-CD1 3.34Å
443	N	83.4	Confident	83.9	Confident	12 Å²	12	17.6 Å²	17.6	6%	0.064	9%	0.087	C	C	.	.	H	α-helix	trans	-64.1	-39.3	173.7	-83.4	-88	0	0	0	111.7	Y424 F426 I439 N440 K445 L446 Q447	Y424-N443 PolarHBondContact O-ND2 3.44Å; Y424-N443 PolarHBondContact O-OD1 3.42Å; F426-N443 HydrophobicContact CD2-CB 4.05Å; I439-N443 PolarHBondContact O-N 2.98Å; I439-N443 VanDerWaalsContact O-N 3.13Å; I439-N443 PolarHBondContact O-ND2 2.87Å; N440-N443 PolarHBondContact O-N 3.44Å; N443-K445 VanDerWaalsContact C-N 3.32Å; N443-K445 PolarHBondContact O-N 2.88Å; N443-L446 PolarHBondContact O-N 2.96Å; N443-Q447 VanDerWaalsContact O-CB 3.32Å; N443-Q447 WeakPolarHBondContact O-CB 3.4Å; N443-Q447 PolarHBondContact O-N 3.15Å
444	E	86.6	Confident	83.4	Confident	1 Å²	1	16.8 Å²	16.8	1%	0.005	8%	0.082	C	C	.	.	H	α-helix	trans	-57.1	-46.5	173.7	-157	77.5	-134.3	0	0	110.9	N440 Y441 C442 Q447 Q448 N477 I480 H547 Y548	N440-E444 PolarHBondContact O-N 3.44Å; Y441-E444 WeakPolarHBondContact O-CB 3.19Å; Y441-E444 PolarHBondContact O-N 2.91Å; C442-E444 VanDerWaalsContact C-N 3.34Å; E444-Q447 PolarHBondContact O-N 2.93Å; E444-Q448 PolarHBondContact O-N 2.92Å; E444-N477 PolarHBondContact O-ND2 3.36Å; E444-N477 WeakPolarHBondContact OE1-CB 3.19Å; E444-I480 HydrophobicContact CG-CB 4.11Å; E444-I480 HydrophobicContact CG-CG2 3.89Å; E444-I480 WeakPolarHBondContact OE1-CD1 3.48Å; E444-H547 WeakPolarHBondContact OE2-CB 3.3Å; E444-H547 IonicContact OE2-CE1 3.95Å; E444-H547 IonicContact OE2-CG 2.7Å; E444-H547 IonicContact OE2-ND1 3.01Å; E444-H547 PolarHBondContact OE2-ND1 2.72Å; E444-Y548 WeakPolarHBondContact OE1-CB 3.39Å; E444-Y548 VanDerWaalsContact OE1-CD1 3.27Å; E444-Y548 WeakPolarHBondContact OE1-CD1 3.2Å; E444-Y548 PolarHBondContact OE1-N 2.96Å; E444-Y548 WeakPolarHBondContact OE2-CD1 3.48Å
445	K	87.1	Confident	83.1	Confident	22 Å²	22	16.6 Å²	16.6	10%	0.096	8%	0.081	C	C	.	.	H	α-helix	trans	-65.3	-45.1	178.2	-80.1	-74.7	174.1	-172.7	0	113.7	Y441 C442 N443 Q447 Q448 L449 C481 E485 L609 M613	Y441-K445 HydrophobicContact CD2-CG 4.22Å; Y441-K445 HydrophobicContact CE2-CD 4.41Å; Y441-K445 HydrophobicContact CE2-CG 3.74Å; Y441-K445 PolarHBondContact O-N 3.28Å; C442-K445 PolarHBondContact O-N 3.24Å; N443-K445 VanDerWaalsContact C-N 3.32Å; N443-K445 PolarHBondContact O-N 2.88Å; K445-Q447 VanDerWaalsContact C-N 3.28Å; K445-Q447 PolarHBondContact O-N 2.84Å; K445-Q448 WeakPolarHBondContact O-CB 3.44Å; K445-Q448 PolarHBondContact O-N 2.8Å; K445-L449 PolarHBondContact O-N 3.07Å; K445-C481 HydrophobicContact CD-CB 4.3Å; K445-C481 VanDerWaalsContact CE-SG 3.58Å; K445-E485 WeakPolarHBondContact CE-OE1 3.47Å; K445-E485 WeakPolarHBondContact CE-OE2 3.4Å; K445-E485 IonicContact NZ-OE1 2.76Å; K445-E485 PolarHBondContact NZ-OE1 3.5Å; K445-E485 IonicContact NZ-OE2 2.82Å; K445-E485 PolarHBondContact NZ-OE2 3.15Å; K445-E485 VanDerWaalsContact NZ-OE2 3.11Å; K445-L609 HydrophobicContact CB-CD2 3.93Å; K445-L609 HydrophobicContact CG-CD2 3.81Å; K445-M613 HydrophobicContact CB-SD 4.48Å
446	L	84.7	Confident	82.9	Confident	16 Å²	16	20.5 Å²	20.5	8%	0.084	10%	0.098	C	C	.	.	H	α-helix	trans	-63.2	-36.7	175.4	-75.4	172.9	0	0	0	111.9	L142 L421 I423 C442 N443 F450 M613 L616	L142-L446 HydrophobicContact CD2-CD2 4.31Å; L421-L446 HydrophobicContact CD2-CD1 4.23Å; L421-L446 HydrophobicContact CD2-CD2 3.83Å; I423-L446 HydrophobicContact CD1-CD1 3.73Å; I423-L446 HydrophobicContact CG2-CD1 3.71Å; C442-L446 WeakPolarHBondContact O-CG 3.22Å; C442-L446 PolarHBondContact O-N 3.23Å; N443-L446 PolarHBondContact O-N 2.96Å; L446-F450 WeakPolarHBondContact O-CB 3.23Å; L446-F450 PolarHBondContact O-N 2.83Å; L446-M613 HydrophobicContact CD2-CE 3.5Å; L446-M613 HydrophobicContact CD2-SD 4.32Å; L446-M613 HydrophobicContact CG-CE 4.02Å; L446-L616 HydrophobicContact CD2-CD1 3.62Å
447	Q	81.8	Confident	82.5	Confident	8 Å²	8	22.3 Å²	22.3	4%	0.037	11%	0.112	C	C	.	.	H	α-helix	trans	-69.5	-36.6	175.8	-173	66	4	0	0	111.8	N443 E444 K445 F450 I451 Y548	N443-Q447 VanDerWaalsContact O-CB 3.32Å; N443-Q447 WeakPolarHBondContact O-CB 3.4Å; N443-Q447 PolarHBondContact O-N 3.15Å; E444-Q447 PolarHBondContact O-N 2.93Å; K445-Q447 VanDerWaalsContact C-N 3.28Å; K445-Q447 PolarHBondContact O-N 2.84Å; Q447-F450 WeakPolarHBondContact O-CB 3.46Å; Q447-F450 PolarHBondContact O-N 3.26Å; Q447-I451 HydrophobicContact CG-CD1 4.27Å; Q447-I451 WeakPolarHBondContact O-CG1 3.1Å; Q447-I451 PolarHBondContact O-N 3.4Å; Q447-Y548 HydrophobicContact CB-CE1 4.22Å; Q447-Y548 HydrophobicContact CB-CE2 4.26Å; Q447-Y548 HydrophobicContact CG-CD2 3.88Å; Q447-Y548 HydrophobicContact CG-CE1 4.46Å; Q447-Y548 HydrophobicContact CG-CE2 3.71Å; Q447-Y548 HydrophobicContact CG-CG 4.3Å
448	Q	85.2	Confident	81.8	Confident	28 Å²	28	22.7 Å²	22.7	13%	0.131	11%	0.114	C	C	.	.	H	α-helix	trans	-60.1	-51	174	-176.5	-171.6	-6.4	0	0	109.9	E444 K445 F450 I451 E452 N477 C481	E444-Q448 PolarHBondContact O-N 2.92Å; K445-Q448 WeakPolarHBondContact O-CB 3.44Å; K445-Q448 PolarHBondContact O-N 2.8Å; Q448-F450 VanDerWaalsContact C-N 3.29Å; Q448-F450 PolarHBondContact O-N 2.56Å; Q448-I451 PolarHBondContact O-N 2.9Å; Q448-E452 WeakPolarHBondContact O-CB 2.88Å; Q448-E452 PolarHBondContact O-N 3.38Å; Q448-N477 VanDerWaalsContact CA-ND2 3.28Å; Q448-N477 WeakPolarHBondContact CA-ND2 3.4Å; Q448-N477 WeakPolarHBondContact CA-OD1 3.06Å; Q448-N477 WeakPolarHBondContact CB-ND2 3.17Å; Q448-N477 PolarHBondContact N-ND2 3.14Å; Q448-C481 PolarHBondContact OE1-SG 2.8Å
449	L	83.4	Confident	81.4	Confident	11 Å²	11	26.2 Å²	26.2	6%	0.058	13%	0.129	C	C	.	.	H	α-helix	trans	-58.9	-41.7	177.5	-177.7	66.2	0	0	0	111.7	K445 I451 E452 L453 M613 L616 M617	K445-L449 PolarHBondContact O-N 3.07Å; L449-I451 PolarHBondContact O-N 3.37Å; L449-E452 PolarHBondContact O-N 2.94Å; L449-L453 HydrophobicContact CD1-CD1 3.75Å; L449-L453 HydrophobicContact CD1-CG 3.88Å; L449-L453 HydrophobicContact CD2-CD1 4.34Å; L449-L453 HydrophobicContact CG-CD1 3.77Å; L449-L453 HydrophobicContact CG-CG 4.22Å; L449-L453 WeakPolarHBondContact O-CB 3.38Å; L449-L453 WeakPolarHBondContact O-CG 3.41Å; L449-L453 PolarHBondContact O-N 2.94Å; L449-M613 HydrophobicContact CB-SD 4.28Å; L449-M613 HydrophobicContact CD2-SD 3.86Å; L449-L616 HydrophobicContact CD2-CB 3.61Å; L449-L616 HydrophobicContact CD2-CD1 3.88Å; L449-L616 HydrophobicContact CD2-CG 4.42Å; L449-M617 HydrophobicContact CD1-CG 3.47Å; L449-M617 VanDerWaalsContact CD1-CG 3.47Å; L449-M617 HydrophobicContact CD1-SD 4.25Å
450	F	80.6	Confident	81.3	Confident	8 Å²	8	30.5 Å²	30.5	4%	0.035	15%	0.149	C	C	.	.	H	α-helix	trans	-56.8	-49.9	176.5	168.6	-95.8	0	0	0	112	V88 L446 Q447 Q448 T454 Y623 R625 N655	V88-F450 HydrophobicContact CG2-CE2 4.37Å; L446-F450 WeakPolarHBondContact O-CB 3.23Å; L446-F450 PolarHBondContact O-N 2.83Å; Q447-F450 WeakPolarHBondContact O-CB 3.46Å; Q447-F450 PolarHBondContact O-N 3.26Å; Q448-F450 VanDerWaalsContact C-N 3.29Å; Q448-F450 PolarHBondContact O-N 2.56Å; F450-T454 WeakPolarHBondContact CE2-OG1 3.31Å; F450-T454 HydrophobicContact CZ-CG2 4.43Å; F450-T454 VanDerWaalsContact CZ-OG1 3.32Å; F450-T454 WeakPolarHBondContact CZ-OG1 3.42Å; F450-T454 WeakPolarHBondContact O-CB 3.47Å; F450-T454 PolarHBondContact O-N 3.24Å; F450-T454 PolarHBondContact O-OG1 3.43Å; F450-Y623 HydrophobicContact CB-CE1 4.47Å; F450-Y623 AromaticContact CD2-CD1 3.63Å; F450-Y623 HydrophobicContact CD2-CD1 3.63Å; F450-Y623 AromaticContact CD2-CD2 3.97Å; F450-Y623 HydrophobicContact CD2-CD2 3.97Å; F450-Y623 AromaticContact CD2-CE1 3.37Å; F450-Y623 HydrophobicContact CD2-CE1 3.37Å; F450-Y623 AromaticContact CD2-CE2 3.67Å; F450-Y623 HydrophobicContact CD2-CE2 3.67Å; F450-Y623 AromaticContact CD2-CG 3.91Å; F450-Y623 HydrophobicContact CD2-CG 3.91Å; F450-Y623 AromaticContact CD2-CZ 3.33Å; F450-Y623 HydrophobicContact CE2-CD1 4.02Å; F450-Y623 AromaticContact CE2-CD2 3.58Å; F450-Y623 HydrophobicContact CE2-CD2 3.58Å; F450-Y623 HydrophobicContact CE2-CE1 4.03Å; F450-Y623 AromaticContact CE2-CE2 3.54Å; F450-Y623 HydrophobicContact CE2-CE2 3.54Å; F450-Y623 AromaticContact CE2-CG 3.79Å; F450-Y623 HydrophobicContact CE2-CG 3.79Å; F450-Y623 AromaticContact CE2-CZ 3.75Å; F450-Y623 HydrophobicContact CG-CE1 4.4Å; F450-R625 VanDerWaalsContact CG-NH2 3.34Å; F450-N655 HydrophobicContact CE1-CB 4.42Å; F450-N655 HydrophobicContact CZ-CB 4.47Å; F450-N655 WeakPolarHBondContact CZ-ND2 3.44Å
451	I	78	Confident	80.9	Confident	22 Å²	22	32.6 Å²	32.6	11%	0.113	16%	0.159	C	C	.	.	H	α-helix	trans	-65.5	-46.7	-178.3	-67.9	172.1	0	0	0	109.8	Q447 Q448 L449 T454 L455 Y474	Q447-I451 HydrophobicContact CG-CD1 4.27Å; Q447-I451 WeakPolarHBondContact O-CG1 3.1Å; Q447-I451 PolarHBondContact O-N 3.4Å; Q448-I451 PolarHBondContact O-N 2.9Å; L449-I451 PolarHBondContact O-N 3.37Å; I451-T454 PolarHBondContact O-N 2.92Å; I451-L455 HydrophobicContact CG2-CD1 3.61Å; I451-L455 HydrophobicContact CG2-CG 4.35Å; I451-L455 WeakPolarHBondContact O-CB 3.49Å; I451-L455 VanDerWaalsContact O-CG 3.29Å; I451-L455 WeakPolarHBondContact O-CG 3.5Å; I451-L455 PolarHBondContact O-N 3.03Å; I451-Y474 HydrophobicContact CG2-CD2 3.52Å; I451-Y474 HydrophobicContact CG2-CE2 3.53Å; I451-Y474 HydrophobicContact CG2-CG 4.21Å
452	E	79.8	Confident	80.7	Confident	104 Å²	104	32.7 Å²	32.7	49%	0.486	16%	0.159	S	C	.	.	H	α-helix	trans	-60.7	-51.4	-179.6	-173.6	173	176.3	0	0	112	Q448 L449 T454 L455 K456	Q448-E452 WeakPolarHBondContact O-CB 2.88Å; Q448-E452 PolarHBondContact O-N 3.38Å; L449-E452 PolarHBondContact O-N 2.94Å; E452-T454 PolarHBondContact O-N 3.29Å; E452-L455 PolarHBondContact O-N 2.79Å; E452-K456 WeakPolarHBondContact O-CB 3.48Å; E452-K456 PolarHBondContact O-N 2.83Å
453	L	79.4	Confident	80.6	Confident	34 Å²	34	39.9 Å²	39.9	18%	0.178	19%	0.193	C	C	.	.	H	α-helix	trans	-65.4	-39.2	178.8	-68.7	178.4	0	0	0	112.1	L449 S457 P621	L449-L453 HydrophobicContact CD1-CD1 3.75Å; L449-L453 HydrophobicContact CD1-CG 3.88Å; L449-L453 HydrophobicContact CD2-CD1 4.34Å; L449-L453 HydrophobicContact CG-CD1 3.77Å; L449-L453 HydrophobicContact CG-CG 4.22Å; L449-L453 WeakPolarHBondContact O-CB 3.38Å; L449-L453 WeakPolarHBondContact O-CG 3.41Å; L449-L453 PolarHBondContact O-N 2.94Å; L453-S457 VanDerWaalsContact O-CB 3.27Å; L453-S457 WeakPolarHBondContact O-CB 3.43Å; L453-S457 PolarHBondContact O-N 2.76Å; L453-S457 PolarHBondContact O-OG 2.96Å; L453-S457 VanDerWaalsContact O-OG 3.13Å; L453-P621 HydrophobicContact CB-CG 4.31Å; L453-P621 HydrophobicContact CD1-CB 4.46Å; L453-P621 HydrophobicContact CD1-CG 3.87Å
454	T	76.3	Confident	80.7	Confident	4 Å²	4	42 Å²	42	3%	0.025	21%	0.212	C	C	.	.	H	α-helix	trans	-65	-47.2	178.6	-61.6	0	0	0	0	111	F450 I451 E452 S457 E458 V658	F450-T454 WeakPolarHBondContact CE2-OG1 3.31Å; F450-T454 HydrophobicContact CZ-CG2 4.43Å; F450-T454 VanDerWaalsContact CZ-OG1 3.32Å; F450-T454 WeakPolarHBondContact CZ-OG1 3.42Å; F450-T454 WeakPolarHBondContact O-CB 3.47Å; F450-T454 PolarHBondContact O-N 3.24Å; F450-T454 PolarHBondContact O-OG1 3.43Å; I451-T454 PolarHBondContact O-N 2.92Å; E452-T454 PolarHBondContact O-N 3.29Å; T454-S457 PolarHBondContact O-OG 2.71Å; T454-E458 PolarHBondContact O-N 2.6Å; T454-V658 HydrophobicContact CG2-CG1 4.27Å
455	L	76.3	Confident	80.7	Confident	10 Å²	10	42.5 Å²	42.5	5%	0.052	21%	0.214	C	C	.	.	H	α-helix	trans	-65.1	-46.4	178.3	-73	169.3	0	0	0	111.7	I451 E452 S457 E458 Q459 W469 Y474 V658	I451-L455 HydrophobicContact CG2-CD1 3.61Å; I451-L455 HydrophobicContact CG2-CG 4.35Å; I451-L455 WeakPolarHBondContact O-CB 3.49Å; I451-L455 VanDerWaalsContact O-CG 3.29Å; I451-L455 WeakPolarHBondContact O-CG 3.5Å; I451-L455 PolarHBondContact O-N 3.03Å; E452-L455 PolarHBondContact O-N 2.79Å; L455-S457 PolarHBondContact O-N 3.03Å; L455-E458 PolarHBondContact O-N 3.41Å; L455-Q459 VanDerWaalsContact O-CG 3.3Å; L455-Q459 WeakPolarHBondContact O-CG 3.43Å; L455-Q459 PolarHBondContact O-N 3.31Å; L455-W469 HydrophobicContact CD2-CH2 4.32Å; L455-W469 HydrophobicContact CD2-CZ2 4.26Å; L455-Y474 HydrophobicContact CD1-CD1 3.64Å; L455-Y474 HydrophobicContact CD1-CD2 4.43Å; L455-Y474 HydrophobicContact CD1-CE1 3.3Å; L455-Y474 HydrophobicContact CD1-CE2 4.15Å; L455-Y474 HydrophobicContact CD1-CG 4.2Å; L455-V658 HydrophobicContact CD2-CG1 3.61Å; L455-V658 HydrophobicContact CD2-CG2 4.42Å; L455-V658 HydrophobicContact CG-CG1 4.33Å
456	K	75.7	Confident	80.5	Confident	110 Å²	110	44.2 Å²	44.2	48%	0.478	24%	0.238	S	C	.	.	H	α-helix	trans	-59.5	-46.5	178.7	-175.8	176.1	176.4	179.5	0	111.5	E452 E458 Q459 E460	E452-K456 WeakPolarHBondContact O-CB 3.48Å; E452-K456 PolarHBondContact O-N 2.83Å; K456-E458 VanDerWaalsContact C-N 3.32Å; K456-E458 PolarHBondContact O-N 3.28Å; K456-Q459 PolarHBondContact O-N 2.93Å; K456-E460 WeakPolarHBondContact CE-OE1 3.47Å; K456-E460 HydrophobicContact CG-CG 4.41Å; K456-E460 WeakPolarHBondContact CG-OE1 3.3Å; K456-E460 WeakPolarHBondContact O-CG 3.1Å; K456-E460 PolarHBondContact O-N 3.2Å
457	S	74.9	Confident	80.5	Confident	52 Å²	52	44.2 Å²	44.2	36%	0.364	24%	0.238	S	C	.	.	H	α-helix	trans	-62.1	-36.8	178.4	70.6	0	0	0	0	113.3	L453 T454 L455 E461	L453-S457 VanDerWaalsContact O-CB 3.27Å; L453-S457 WeakPolarHBondContact O-CB 3.43Å; L453-S457 PolarHBondContact O-N 2.76Å; L453-S457 PolarHBondContact O-OG 2.96Å; L453-S457 VanDerWaalsContact O-OG 3.13Å; T454-S457 PolarHBondContact O-OG 2.71Å; L455-S457 PolarHBondContact O-N 3.03Å; S457-E461 WeakPolarHBondContact O-CB 3.28Å; S457-E461 PolarHBondContact O-N 2.94Å
458	E	74.6	Confident	80.5	Confident	9 Å²	9	49 Å²	49	4%	0.042	27%	0.268	C	S	.	.	H	α-helix	trans	-72.7	-37.3	176.3	-73.2	-65.8	138.7	0	0	111.8	T454 L455 K456 Y462 W469 R659 R666	T454-E458 PolarHBondContact O-N 2.6Å; L455-E458 PolarHBondContact O-N 3.41Å; K456-E458 VanDerWaalsContact C-N 3.32Å; K456-E458 PolarHBondContact O-N 3.28Å; E458-Y462 WeakPolarHBondContact O-CD1 3.26Å; E458-Y462 PolarHBondContact O-N 3.13Å; E458-Y462 VanDerWaalsContact O-N 3.09Å; E458-Y462 WeakPolarHBondContact OE2-CE1 3.4Å; E458-W469 HydrophobicContact CB-CH2 4.21Å; E458-W469 HydrophobicContact CB-CZ3 3.91Å; E458-R659 IonicContact OE1-CZ 2.61Å; E458-R659 IonicContact OE1-NH1 3.98Å; E458-R659 PolarHBondContact OE1-NH1 3.13Å; E458-R666 VanDerWaalsContact CD-NH1 3.3Å; E458-R666 IonicContact OE1-CZ 2.76Å; E458-R666 IonicContact OE1-NH1 3.23Å; E458-R666 PolarHBondContact OE1-NH1 3.38Å; E458-R666 IonicContact OE1-NH2 3.41Å; E458-R666 PolarHBondContact OE1-NH2 2.93Å; E458-R666 IonicContact OE2-NH1 2.97Å; E458-R666 PolarHBondContact OE2-NH1 3.06Å
459	Q	78	Confident	80.2	Confident	82 Å²	82	51.5 Å²	51.5	38%	0.383	28%	0.276	S	S	.	.	H	α-helix	trans	-63.2	-49.6	175.1	-73.9	170.4	11.4	0	0	111.8	L455 K456 E461 Y462 E463 W469	L455-Q459 VanDerWaalsContact O-CG 3.3Å; L455-Q459 WeakPolarHBondContact O-CG 3.43Å; L455-Q459 PolarHBondContact O-N 3.31Å; K456-Q459 PolarHBondContact O-N 2.93Å; Q459-E461 VanDerWaalsContact C-N 3.31Å; Q459-E461 PolarHBondContact O-N 3.41Å; Q459-Y462 PolarHBondContact O-N 3.49Å; Q459-Y462 VanDerWaalsContact O-N 3.15Å; Q459-E463 WeakPolarHBondContact O-CB 3.06Å; Q459-E463 PolarHBondContact O-N 3.28Å; Q459-W469 HydrophobicContact CG-CD2 3.65Å; Q459-W469 HydrophobicContact CG-CE3 3.82Å; Q459-W469 HydrophobicContact CG-CG 4.29Å; Q459-W469 HydrophobicContact CG-CH2 3.87Å; Q459-W469 HydrophobicContact CG-CZ2 3.68Å; Q459-W469 HydrophobicContact CG-CZ3 3.93Å
460	E	80.3	Confident	79.7	Confident	103 Å²	103	55.5 Å²	55.5	48%	0.481	30%	0.295	S	S	.	.	H	α-helix	trans	-59.9	-40.9	179.2	-73.1	173.9	177.8	0	0	111.7	K456 A464	K456-E460 WeakPolarHBondContact CE-OE1 3.47Å; K456-E460 HydrophobicContact CG-CG 4.41Å; K456-E460 WeakPolarHBondContact CG-OE1 3.3Å; K456-E460 WeakPolarHBondContact O-CG 3.1Å; K456-E460 PolarHBondContact O-N 3.2Å; E460-A464 WeakPolarHBondContact O-CB 3.4Å; E460-A464 PolarHBondContact O-N 3.38Å
461	E	78.9	Confident	79.2	Confident	43 Å²	43	60.8 Å²	60.8	20%	0.201	33%	0.33	C	S	.	.	H	α-helix	trans	-65.4	-39.5	176.6	176.4	73.7	-170	0	0	111.7	S457 Q459 A464 E465 K715 F717	S457-E461 WeakPolarHBondContact O-CB 3.28Å; S457-E461 PolarHBondContact O-N 2.94Å; Q459-E461 VanDerWaalsContact C-N 3.31Å; Q459-E461 PolarHBondContact O-N 3.41Å; E461-A464 PolarHBondContact O-N 2.81Å; E461-E465 WeakPolarHBondContact O-CB 3.27Å; E461-E465 WeakPolarHBondContact O-CG 3.49Å; E461-E465 PolarHBondContact O-N 2.89Å; E461-K715 WeakPolarHBondContact OE1-CD 3.49Å; E461-K715 IonicContact OE1-NZ 3.57Å; E461-K715 PolarHBondContact OE1-NZ 3.04Å; E461-K715 IonicContact OE2-NZ 3.55Å; E461-K715 PolarHBondContact OE2-NZ 3.09Å; E461-F717 HydrophobicContact CG-CZ 4.39Å
462	Y	83.3	Confident	78.7	Confident	6 Å²	6	61 Å²	61	2%	0.024	33%	0.331	C	S	.	.	H	α-helix	trans	-72.4	-39.6	-178.9	-77.2	28.7	0	0	0	110.2	E458 Q459 E465 G466 I467 W469 G662 F663 F717	E458-Y462 WeakPolarHBondContact O-CD1 3.26Å; E458-Y462 PolarHBondContact O-N 3.13Å; E458-Y462 VanDerWaalsContact O-N 3.09Å; E458-Y462 WeakPolarHBondContact OE2-CE1 3.4Å; Q459-Y462 PolarHBondContact O-N 3.49Å; Q459-Y462 VanDerWaalsContact O-N 3.15Å; Y462-E465 CarbonylContact O-C 3.53Å; Y462-E465 PolarHBondContact O-N 3.16Å; Y462-G466 PolarHBondContact O-N 3.22Å; Y462-I467 HydrophobicContact CD2-CB 4.43Å; Y462-I467 HydrophobicContact CD2-CG2 3.96Å; Y462-I467 HydrophobicContact CG-CB 4.35Å; Y462-I467 HydrophobicContact CG-CG2 4.35Å; Y462-I467 PolarHBondContact O-N 2.98Å; Y462-W469 AromaticContact CD2-CE3 3.82Å; Y462-W469 HydrophobicContact CD2-CE3 3.82Å; Y462-W469 HydrophobicContact CD2-CZ3 4.32Å; Y462-W469 HydrophobicContact CE2-CE3 4.17Å; Y462-W469 HydrophobicContact CE2-CZ3 4.3Å; Y462-W469 HydrophobicContact CG-CE3 4.35Å; Y462-G662 WeakPolarHBondContact OH-CA 2.86Å; Y462-F663 HydrophobicContact CE1-CD2 4.47Å; Y462-F663 AromaticContact CE2-CD2 3.76Å; Y462-F663 HydrophobicContact CE2-CD2 3.76Å; Y462-F663 AromaticContact CE2-CE2 3.96Å; Y462-F663 HydrophobicContact CE2-CE2 3.96Å; Y462-F663 AromaticContact CZ-CD2 3.7Å; Y462-F663 PolarHBondContact OH-N 3.46Å; Y462-F717 HydrophobicContact CD1-CE1 4.37Å; Y462-F717 HydrophobicContact CE1-CE1 4.11Å
463	E	84.9	Confident	78.1	Confident	152 Å²	152	65.1 Å²	65.1	71%	0.71	35%	0.351	S	S	*	.	H	α-helix	trans	-62.4	-46.5	173	-174	173.2	-164.9	0	0	111.5	Q459 E465 G466	Q459-E463 WeakPolarHBondContact O-CB 3.06Å; Q459-E463 PolarHBondContact O-N 3.28Å; E463-E465 VanDerWaalsContact C-N 3.26Å; E463-E465 PolarHBondContact O-N 3.27Å; E463-G466 PolarHBondContact O-N 2.87Å; E463-G466 VanDerWaalsContact O-N 3.1Å
464	A	84.4	Confident	77.7	Confident	56 Å²	56	68.7 Å²	68.7	46%	0.463	36%	0.363	S	S	.	.	H	α-helix	trans	-59.5	-37.4	177.3	0	0	0	0	0	112.4	E460 E461 R713	E460-A464 WeakPolarHBondContact O-CB 3.4Å; E460-A464 PolarHBondContact O-N 3.38Å; E461-A464 PolarHBondContact O-N 2.81Å; A464-R713 WeakPolarHBondContact O-CD 3.27Å
465	E	86.5	Confident	77.5	Confident	13 Å²	13	72.7 Å²	72.7	6%	0.061	38%	0.38	C	S	.	.	H	α-helix	trans	-89.3	-3.2	179.1	-69.2	-75.4	161.6	0	0	113.6	E461 Y462 E463 I467 G712 R713 S714 K715 F717	E461-E465 WeakPolarHBondContact O-CB 3.27Å; E461-E465 WeakPolarHBondContact O-CG 3.49Å; E461-E465 PolarHBondContact O-N 2.89Å; Y462-E465 CarbonylContact O-C 3.53Å; Y462-E465 PolarHBondContact O-N 3.16Å; E463-E465 VanDerWaalsContact C-N 3.26Å; E463-E465 PolarHBondContact O-N 3.27Å; E465-I467 HydrophobicContact CB-CD1 4.23Å; E465-I467 HydrophobicContact CB-CG1 4.34Å; E465-G712 CarbonylContact O-C 3.5Å; E465-G712 VanDerWaalsContact O-CA 3.24Å; E465-G712 WeakPolarHBondContact O-CA 3.3Å; E465-R713 PolarHBondContact O-N 2.79Å; E465-R713 PolarHBondContact OE2-N 3.14Å; E465-S714 PolarHBondContact OE1-OG 3.37Å; E465-S714 PolarHBondContact OE2-N 3.23Å; E465-K715 WeakPolarHBondContact OE1-CE 3.35Å; E465-K715 PolarHBondContact OE2-N 3.29Å; E465-F717 HydrophobicContact CB-CE2 3.88Å; E465-F717 HydrophobicContact CB-CZ 4.07Å; E465-F717 HydrophobicContact CG-CE2 3.83Å; E465-F717 HydrophobicContact CG-CZ 3.82Å
466	G	83.7	Confident	77.5	Confident	57 Å²	57	75.8 Å²	75.8	59%	0.588	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	31.4	177.9	0	0	0	0	0	114.8	Y462 E463	Y462-G466 PolarHBondContact O-N 3.22Å; E463-G466 PolarHBondContact O-N 2.87Å; E463-G466 VanDerWaalsContact O-N 3.1Å
467	I	85.4	Confident	77.7	Confident	17 Å²	17	70.7 Å²	70.7	9%	0.087	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-101.1	138.2	-178.7	-62.3	177.6	0	0	0	109.9	Y462 E465 W469 F663 K710 F717	Y462-I467 HydrophobicContact CD2-CB 4.43Å; Y462-I467 HydrophobicContact CD2-CG2 3.96Å; Y462-I467 HydrophobicContact CG-CB 4.35Å; Y462-I467 HydrophobicContact CG-CG2 4.35Å; Y462-I467 PolarHBondContact O-N 2.98Å; E465-I467 HydrophobicContact CB-CD1 4.23Å; E465-I467 HydrophobicContact CB-CG1 4.34Å; I467-W469 PolarHBondContact O-N 3.21Å; I467-F663 HydrophobicContact CG2-CD2 4.46Å; I467-F663 HydrophobicContact CG2-CE2 3.57Å; I467-F663 HydrophobicContact CG2-CZ 4.19Å; I467-K710 HydrophobicContact CD1-CB 4.37Å; I467-F717 HydrophobicContact CD1-CB 4.15Å; I467-F717 HydrophobicContact CD1-CD1 4Å; I467-F717 HydrophobicContact CD1-CD2 3.18Å; I467-F717 HydrophobicContact CD1-CE1 4.16Å; I467-F717 HydrophobicContact CD1-CE2 3.36Å; I467-F717 HydrophobicContact CD1-CG 3.52Å; I467-F717 HydrophobicContact CD1-CZ 3.87Å
468	T	81.4	Confident	78.2	Confident	108 Å²	108	73.1 Å²	73.1	66%	0.663	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-67.6	124.1	177.6	51.8	0	0	0	0	111.4
469	W	78.4	Confident	78.8	Confident	80 Å²	80	76 Å²	76	30%	0.303	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-77.1	127.7	175.3	177.6	-105.3	0	0	0	111.7	L455 E458 Q459 Y462 I467 V472	L455-W469 HydrophobicContact CD2-CH2 4.32Å; L455-W469 HydrophobicContact CD2-CZ2 4.26Å; E458-W469 HydrophobicContact CB-CH2 4.21Å; E458-W469 HydrophobicContact CB-CZ3 3.91Å; Q459-W469 HydrophobicContact CG-CD2 3.65Å; Q459-W469 HydrophobicContact CG-CE3 3.82Å; Q459-W469 HydrophobicContact CG-CG 4.29Å; Q459-W469 HydrophobicContact CG-CH2 3.87Å; Q459-W469 HydrophobicContact CG-CZ2 3.68Å; Q459-W469 HydrophobicContact CG-CZ3 3.93Å; Y462-W469 AromaticContact CD2-CE3 3.82Å; Y462-W469 HydrophobicContact CD2-CE3 3.82Å; Y462-W469 HydrophobicContact CD2-CZ3 4.32Å; Y462-W469 HydrophobicContact CE2-CE3 4.17Å; Y462-W469 HydrophobicContact CE2-CZ3 4.3Å; Y462-W469 HydrophobicContact CG-CE3 4.35Å; I467-W469 PolarHBondContact O-N 3.21Å; W469-V472 HydrophobicContact CH2-CG2 4.35Å; W469-V472 HydrophobicContact CZ2-CG2 4.23Å
470	E	73.8	Confident	79.4	Confident	96 Å²	96	72.2 Å²	72.2	45%	0.449	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-99.6	123.9	170.8	-70	178.8	-165.5	0	0	108.9	V472 R719	E470-V472 PolarHBondContact O-N 3.12Å; E470-R719 IonicContact OE1-CZ 2.68Å; E470-R719 IonicContact OE1-NH1 3.5Å; E470-R719 PolarHBondContact OE1-NH1 2.91Å; E470-R719 IonicContact OE1-NH2 2.92Å; E470-R719 IonicContact OE2-CZ 3.87Å; E470-R719 IonicContact OE2-NH1 2.73Å; E470-R719 PolarHBondContact OE2-NH1 3.33Å; E470-R719 IonicContact OE2-NH2 2.78Å; E470-R719 PolarHBondContact OE2-NH2 2.86Å
471	P	69.3	Low	79.8	Confident	119 Å²	119	67.3 Å²	67.3	77%	0.773	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-62.5	123.3	-179.8	-20.6	31.2	0	0	0	111.7
472	V	68.6	Low	80.3	Confident	25 Å²	25	68 Å²	68	15%	0.152	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-90.3	128.9	176.1	-167.2	0	0	0	0	109.7	W469 E470 Y474 V658 A661	W469-V472 HydrophobicContact CH2-CG2 4.35Å; W469-V472 HydrophobicContact CZ2-CG2 4.23Å; E470-V472 PolarHBondContact O-N 3.12Å; V472-Y474 WeakPolarHBondContact O-CD1 3.23Å; V472-Y474 PolarHBondContact O-N 2.84Å; V472-V658 HydrophobicContact CG1-CG2 4.27Å; V472-A661 HydrophobicContact CB-CB 4.11Å; V472-A661 HydrophobicContact CG1-CB 3.61Å; V472-A661 HydrophobicContact CG2-CB 3.41Å; V472-A661 VanDerWaalsContact CG2-CB 3.41Å
473	Q	66.3	Low	80.6	Confident	192 Å²	192	68 Å²	68	90%	0.897	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-73.6	121.7	170.1	-66.6	-176.4	-4.7	0	0	109.8
474	Y	70.8	Confident	80.9	Confident	108 Å²	108	60.9 Å²	60.9	42%	0.424	33%	0.325	S	S	.	.			trans	-135.7	160.3	175.9	68.6	-87.7	0	0	0	110.7	I451 L455 V472 N476	I451-Y474 HydrophobicContact CG2-CD2 3.52Å; I451-Y474 HydrophobicContact CG2-CE2 3.53Å; I451-Y474 HydrophobicContact CG2-CG 4.21Å; L455-Y474 HydrophobicContact CD1-CD1 3.64Å; L455-Y474 HydrophobicContact CD1-CD2 4.43Å; L455-Y474 HydrophobicContact CD1-CE1 3.3Å; L455-Y474 HydrophobicContact CD1-CE2 4.15Å; L455-Y474 HydrophobicContact CD1-CG 4.2Å; V472-Y474 WeakPolarHBondContact O-CD1 3.23Å; V472-Y474 PolarHBondContact O-N 2.84Å; Y474-N476 PolarHBondContact O-N 3.46Å
475	F	71.7	Confident	81.2	Confident	89 Å²	89	60.2 Å²	60.2	39%	0.39	31%	0.313	S	S	.	.			trans	-73.2	118	176.8	179.4	-96.9	0	0	0	110.4	N477 I480 H523	F475-N477 HydrophobicContact CD1-CB 4.12Å; F475-N477 HydrophobicContact CE1-CB 3.95Å; F475-N477 PolarHBondContact O-N 3.44Å; F475-I480 HydrophobicContact CE1-CD1 3.87Å; F475-I480 HydrophobicContact CZ-CD1 3.86Å; F475-H523 AromaticContact CZ-CE1 3.96Å
476	N	75.9	Confident	81.2	Confident	74 Å²	74	64 Å²	64	40%	0.396	33%	0.33	S	S	.	.			trans	-85.4	97.6	179.8	-174.7	6.1	0	0	0	111	Y474 K478	Y474-N476 PolarHBondContact O-N 3.46Å; N476-K478 VanDerWaalsContact C-N 3.29Å; N476-K478 PolarHBondContact O-N 3.46Å; N476-K478 WeakPolarHBondContact OD1-CB 3.4Å; N476-K478 PolarHBondContact OD1-N 3.43Å; N476-K478 VanDerWaalsContact OD1-N 3.1Å
477	N	80.9	Confident	81.1	Confident	3 Å²	3	68.8 Å²	68.8	2%	0.016	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-4.3	178.8	65.8	-33.3	0	0	0	114.4	E444 Q448 F475 I479 I480 C481	E444-N477 PolarHBondContact O-ND2 3.36Å; E444-N477 WeakPolarHBondContact OE1-CB 3.19Å; Q448-N477 VanDerWaalsContact CA-ND2 3.28Å; Q448-N477 WeakPolarHBondContact CA-ND2 3.4Å; Q448-N477 WeakPolarHBondContact CA-OD1 3.06Å; Q448-N477 WeakPolarHBondContact CB-ND2 3.17Å; Q448-N477 PolarHBondContact N-ND2 3.14Å; F475-N477 HydrophobicContact CD1-CB 4.12Å; F475-N477 HydrophobicContact CE1-CB 3.95Å; F475-N477 PolarHBondContact O-N 3.44Å; N477-I479 PolarHBondContact O-N 3.04Å; N477-I480 PolarHBondContact O-N 3.47Å; N477-I480 VanDerWaalsContact O-N 3.09Å; N477-C481 PolarHBondContact O-N 3.3Å
478	K	85.1	Confident	80.8	Confident	103 Å²	103	76.6 Å²	76.6	45%	0.448	37%	0.369	S	S	.	.	H	α-helix	trans	-57.5	-34.7	176.1	-176.7	171	177.5	168.2	0	112.3	N476 I480 C481 D482	N476-K478 VanDerWaalsContact C-N 3.29Å; N476-K478 PolarHBondContact O-N 3.46Å; N476-K478 WeakPolarHBondContact OD1-CB 3.4Å; N476-K478 PolarHBondContact OD1-N 3.43Å; N476-K478 VanDerWaalsContact OD1-N 3.1Å; K478-I480 VanDerWaalsContact C-N 3.25Å; K478-I480 PolarHBondContact O-N 2.97Å; K478-C481 WeakPolarHBondContact O-CB 3.46Å; K478-C481 PolarHBondContact O-N 2.89Å; K478-D482 WeakPolarHBondContact O-CB 3.41Å; K478-D482 PolarHBondContact O-N 3.32Å
479	I	88.4	Confident	80.9	Confident	71 Å²	71	77.2 Å²	77.2	36%	0.364	36%	0.362	S	S	.	.	H	α-helix	trans	-60	-37.5	178.9	-57.7	170.2	0	0	0	111.2	N477 L483	N477-I479 PolarHBondContact O-N 3.04Å; I479-L483 WeakPolarHBondContact O-CB 3.38Å; I479-L483 PolarHBondContact O-N 3.43Å
480	I	89.1	Confident	81.3	Confident	1 Å²	1	73.4 Å²	73.4	1%	0.005	35%	0.348	C	S	.	.	H	α-helix	trans	-75.2	-40.6	178.6	-58.2	158.5	0	0	0	110.3	E444 F475 N477 K478 D482 L483 V484 H523 L546	E444-I480 HydrophobicContact CG-CB 4.11Å; E444-I480 HydrophobicContact CG-CG2 3.89Å; E444-I480 WeakPolarHBondContact OE1-CD1 3.48Å; F475-I480 HydrophobicContact CE1-CD1 3.87Å; F475-I480 HydrophobicContact CZ-CD1 3.86Å; N477-I480 PolarHBondContact O-N 3.47Å; N477-I480 VanDerWaalsContact O-N 3.09Å; K478-I480 VanDerWaalsContact C-N 3.25Å; K478-I480 PolarHBondContact O-N 2.97Å; I480-D482 VanDerWaalsContact C-N 3.34Å; I480-D482 PolarHBondContact O-N 3.07Å; I480-L483 WeakPolarHBondContact O-CB 3.42Å; I480-L483 PolarHBondContact O-N 3.42Å; I480-V484 WeakPolarHBondContact O-CG2 3.12Å; I480-V484 PolarHBondContact O-N 2.91Å; I480-H523 HydrophobicContact CG1-CB 4.31Å; I480-L546 VanDerWaalsContact CD1-O 3.25Å; I480-L546 WeakPolarHBondContact CD1-O 3.32Å
481	C	88.6	Confident	82.2	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-58.1	-46.4	173.2	-75.9	0	0	0	0	112	K445 Q448 N477 K478 V484 E485	K445-C481 HydrophobicContact CD-CB 4.3Å; K445-C481 VanDerWaalsContact CE-SG 3.58Å; Q448-C481 PolarHBondContact OE1-SG 2.8Å; N477-C481 PolarHBondContact O-N 3.3Å; K478-C481 WeakPolarHBondContact O-CB 3.46Å; K478-C481 PolarHBondContact O-N 2.89Å; C481-V484 PolarHBondContact O-N 3.38Å; C481-E485 WeakPolarHBondContact O-CG 3.25Å; C481-E485 PolarHBondContact O-N 3.37Å
482	D	89.6	Confident	83.2	Confident	58 Å²	58	63.3 Å²	63.3	31%	0.31	29%	0.29	S	S	.	.	H	α-helix	trans	-64.2	-44.3	179.5	-65.9	-15.4	0	0	0	110.1	K478 I480 V484 E485 E486	K478-D482 WeakPolarHBondContact O-CB 3.41Å; K478-D482 PolarHBondContact O-N 3.32Å; I480-D482 VanDerWaalsContact C-N 3.34Å; I480-D482 PolarHBondContact O-N 3.07Å; D482-V484 PolarHBondContact O-N 3.48Å; D482-V484 VanDerWaalsContact O-N 3.14Å; D482-E485 PolarHBondContact O-N 3.35Å; D482-E486 WeakPolarHBondContact O-CB 3.36Å; D482-E486 PolarHBondContact O-N 3.34Å
483	L	90.4	Very high	84.1	Confident	6 Å²	6	63.3 Å²	63.3	3%	0.031	29%	0.291	C	S	.	.	H	α-helix	trans	-52.2	-37.5	173.8	176.7	67.6	0	0	0	113.2	I479 I480 G490 I491 L518 H521 H523 F524 L545	I479-L483 WeakPolarHBondContact O-CB 3.38Å; I479-L483 PolarHBondContact O-N 3.43Å; I480-L483 WeakPolarHBondContact O-CB 3.42Å; I480-L483 PolarHBondContact O-N 3.42Å; L483-G490 VanDerWaalsContact O-CA 3.23Å; L483-G490 WeakPolarHBondContact O-CA 3.25Å; L483-I491 HydrophobicContact CG-CD1 4.36Å; L483-I491 PolarHBondContact O-N 2.78Å; L483-I491 VanDerWaalsContact O-N 3.12Å; L483-L518 HydrophobicContact CD1-CB 4.44Å; L483-L518 HydrophobicContact CD1-CD1 3.92Å; L483-L518 HydrophobicContact CD1-CD2 3.65Å; L483-L518 HydrophobicContact CD1-CG 4.22Å; L483-H521 HydrophobicContact CD1-CB 4.23Å; L483-H523 HydrophobicContact CD2-CB 4.27Å; L483-F524 HydrophobicContact CD2-CB 4.27Å; L483-L545 HydrophobicContact CD2-CD2 3.62Å
484	V	90.8	Very high	85.2	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.012	25%	0.249	C	C	.	.	H	α-helix	trans	-81.4	-42.9	-179.3	174.2	0	0	0	0	111.9	F437 Y441 I480 C481 D482 I491 I492	F437-V484 HydrophobicContact CE1-CG1 4.4Å; F437-V484 HydrophobicContact CE2-CG1 4.36Å; F437-V484 HydrophobicContact CE2-CG2 4.26Å; F437-V484 HydrophobicContact CZ-CG1 3.71Å; F437-V484 HydrophobicContact CZ-CG2 4.38Å; Y441-V484 HydrophobicContact CD1-CG1 4.27Å; Y441-V484 HydrophobicContact CD2-CB 3.77Å; Y441-V484 HydrophobicContact CD2-CG1 3.38Å; Y441-V484 HydrophobicContact CD2-CG2 4.3Å; Y441-V484 HydrophobicContact CE2-CB 4.07Å; Y441-V484 HydrophobicContact CE2-CG1 3.75Å; Y441-V484 HydrophobicContact CG-CG1 3.68Å; I480-V484 WeakPolarHBondContact O-CG2 3.12Å; I480-V484 PolarHBondContact O-N 2.91Å; C481-V484 PolarHBondContact O-N 3.38Å; D482-V484 PolarHBondContact O-N 3.48Å; D482-V484 VanDerWaalsContact O-N 3.14Å; V484-I491 HydrophobicContact CG2-CD1 4.35Å; V484-I491 PolarHBondContact O-N 3.49Å; V484-I492 HydrophobicContact CG1-CD1 3.81Å; V484-I492 HydrophobicContact CG1-CG1 4.03Å; V484-I492 PolarHBondContact O-N 3.07Å; V484-I492 VanDerWaalsContact O-N 3.16Å
485	E	89.8	Confident	86	Confident	43 Å²	43	49.2 Å²	49.2	20%	0.201	23%	0.229	C	C	.	.	H	α-helix	trans	-107.9	-10.1	-164.8	86.9	-177.1	175.4	0	0	115.8	Y441 K445 C481 D482 K487 K606	Y441-E485 HydrophobicContact CE2-CB 4.11Å; Y441-E485 WeakPolarHBondContact OH-CB 3.27Å; Y441-E485 PolarHBondContact OH-OE2 3.49Å; K445-E485 WeakPolarHBondContact CE-OE1 3.47Å; K445-E485 WeakPolarHBondContact CE-OE2 3.4Å; K445-E485 IonicContact NZ-OE1 2.76Å; K445-E485 PolarHBondContact NZ-OE1 3.5Å; K445-E485 IonicContact NZ-OE2 2.82Å; K445-E485 PolarHBondContact NZ-OE2 3.15Å; K445-E485 VanDerWaalsContact NZ-OE2 3.11Å; C481-E485 WeakPolarHBondContact O-CG 3.25Å; C481-E485 PolarHBondContact O-N 3.37Å; D482-E485 PolarHBondContact O-N 3.35Å; E485-K487 PolarHBondContact O-N 3.15Å; E485-K606 HydrophobicContact CB-CD 4.33Å; E485-K606 PolarHBondContact O-NZ 3.04Å
486	E	87.3	Confident	86.6	Confident	91 Å²	91	46 Å²	46	43%	0.425	22%	0.216	S	C	.	.			trans	-53	134.1	-174.3	-173.1	176.3	179.8	0	0	110.6	D482 F488 K489 G490 S493	D482-E486 WeakPolarHBondContact O-CB 3.36Å; D482-E486 PolarHBondContact O-N 3.34Å; E486-F488 PolarHBondContact O-N 3.14Å; E486-K489 HydrophobicContact CG-CB 4.25Å; E486-K489 PolarHBondContact O-N 3.29Å; E486-G490 WeakPolarHBondContact O-CA 3.4Å; E486-G490 PolarHBondContact O-N 3.08Å; E486-S493 PolarHBondContact O-OG 2.73Å
487	K	81.2	Confident	87	Confident	158 Å²	158	47.3 Å²	47.3	69%	0.687	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	132.6	-179.9	-68.5	-173.7	178.5	-178	0	108.9	E485 K489	E485-K487 PolarHBondContact O-N 3.15Å; K487-K489 PolarHBondContact O-N 2.82Å
488	F	79.3	Confident	87.2	Confident	182 Å²	182	47.2 Å²	47.2	80%	0.798	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.6	-13.9	178.8	-46.9	-74.8	0	0	0	116.5	E486 S493	E486-F488 PolarHBondContact O-N 3.14Å; F488-S493 PolarHBondContact N-OG 3.36Å
489	K	83.1	Confident	86.8	Confident	121 Å²	121	43.3 Å²	43.3	53%	0.526	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.4	-20.7	-178.6	-65.7	-176.4	-178.7	176.3	0	114.9	E486 K487 I494	E486-K489 HydrophobicContact CG-CB 4.25Å; E486-K489 PolarHBondContact O-N 3.29Å; K487-K489 PolarHBondContact O-N 2.82Å; K489-I494 WeakPolarHBondContact O-CD1 3.34Å
490	G	88.4	Confident	86	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	-74.3	159.6	-178.6	0	0	0	0	0	112.8	L483 E486 I492 S493 I494	L483-G490 VanDerWaalsContact O-CA 3.23Å; L483-G490 WeakPolarHBondContact O-CA 3.25Å; E486-G490 WeakPolarHBondContact O-CA 3.4Å; E486-G490 PolarHBondContact O-N 3.08Å; G490-I492 VanDerWaalsContact C-N 3.25Å; G490-I492 PolarHBondContact O-N 3.22Å; G490-S493 WeakPolarHBondContact O-CB 3.27Å; G490-S493 PolarHBondContact O-N 2.85Å; G490-I494 WeakPolarHBondContact O-CG1 3.5Å; G490-I494 PolarHBondContact O-N 3.14Å
491	I	91.3	Very high	85.3	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-52.9	-42	-178.8	-61.2	172.2	0	0	0	112	F437 L483 V484 I494 L495 F510 L514 L518 L545	F437-I491 HydrophobicContact CE1-CG2 4.41Å; F437-I491 HydrophobicContact CE2-CD1 4.12Å; F437-I491 HydrophobicContact CE2-CG2 4.04Å; F437-I491 HydrophobicContact CZ-CB 4.04Å; F437-I491 HydrophobicContact CZ-CD1 4.45Å; F437-I491 HydrophobicContact CZ-CG2 3.61Å; L483-I491 HydrophobicContact CG-CD1 4.36Å; L483-I491 PolarHBondContact O-N 2.78Å; L483-I491 VanDerWaalsContact O-N 3.12Å; V484-I491 HydrophobicContact CG2-CD1 4.35Å; V484-I491 PolarHBondContact O-N 3.49Å; I491-I494 PolarHBondContact O-N 3.01Å; I491-L495 WeakPolarHBondContact O-CB 3.48Å; I491-L495 PolarHBondContact O-N 2.9Å; I491-F510 HydrophobicContact CG2-CZ 4.21Å; I491-L514 HydrophobicContact CB-CD2 4.36Å; I491-L514 HydrophobicContact CG1-CD2 4.12Å; I491-L514 HydrophobicContact CG2-CD2 4.1Å; I491-L518 HydrophobicContact CD1-CD1 4.39Å; I491-L518 HydrophobicContact CG1-CD1 3.52Å; I491-L545 HydrophobicContact CD1-CD1 3.93Å; I491-L545 HydrophobicContact CD1-CD2 3.91Å; I491-L545 HydrophobicContact CD1-CG 4.47Å
492	I	90.2	Very high	83.9	Confident	3 Å²	3	57.3 Å²	57.3	2%	0.015	28%	0.277	C	S	.	.	H	α-helix	trans	-64.6	-41.9	178.6	-64.9	173.8	0	0	0	111.2	F437 Y441 V484 G490 L495 D496 A602 K606	F437-I492 HydrophobicContact CE1-CG1 4.23Å; F437-I492 HydrophobicContact CZ-CG1 4.48Å; Y441-I492 HydrophobicContact CD1-CD1 4.43Å; Y441-I492 HydrophobicContact CE1-CD1 4.15Å; V484-I492 HydrophobicContact CG1-CD1 3.81Å; V484-I492 HydrophobicContact CG1-CG1 4.03Å; V484-I492 PolarHBondContact O-N 3.07Å; V484-I492 VanDerWaalsContact O-N 3.16Å; G490-I492 VanDerWaalsContact C-N 3.25Å; G490-I492 PolarHBondContact O-N 3.22Å; I492-L495 PolarHBondContact O-N 2.72Å; I492-D496 VanDerWaalsContact O-CG 3.31Å; I492-D496 PolarHBondContact O-N 3.04Å; I492-A602 HydrophobicContact CG1-CB 4.3Å; I492-A602 HydrophobicContact CG2-CB 3.75Å; I492-K606 HydrophobicContact CD1-CB 4.43Å
493	S	88.6	Confident	82.7	Confident	25 Å²	25	57.5 Å²	57.5	18%	0.175	29%	0.293	C	S	.	.	H	α-helix	trans	-65.2	-40.8	179	-58.5	0	0	0	0	111.4	E486 F488 G490 D496 E497	E486-S493 PolarHBondContact O-OG 2.73Å; F488-S493 PolarHBondContact N-OG 3.36Å; G490-S493 WeakPolarHBondContact O-CB 3.27Å; G490-S493 PolarHBondContact O-N 2.85Å; S493-D496 PolarHBondContact O-N 2.95Å; S493-E497 WeakPolarHBondContact O-CB 3.46Å; S493-E497 PolarHBondContact O-N 3.05Å
494	I	89	Confident	81.5	Confident	2 Å²	2	65.3 Å²	65.3	1%	0.01	34%	0.335	C	S	.	.	H	α-helix	trans	-66.1	-41.8	177.5	-63.6	167.2	0	0	0	110.4	K489 G490 I491 E497 E498 F510 K513 L514 T517 L518	K489-I494 WeakPolarHBondContact O-CD1 3.34Å; G490-I494 WeakPolarHBondContact O-CG1 3.5Å; G490-I494 PolarHBondContact O-N 3.14Å; I491-I494 PolarHBondContact O-N 3.01Å; I494-E497 PolarHBondContact O-N 2.73Å; I494-E498 PolarHBondContact O-N 2.9Å; I494-F510 HydrophobicContact CB-CE2 4.48Å; I494-F510 HydrophobicContact CG2-CD2 4.11Å; I494-F510 HydrophobicContact CG2-CE2 4.06Å; I494-K513 HydrophobicContact CG2-CB 4.21Å; I494-K513 HydrophobicContact CG2-CD 4.13Å; I494-K513 HydrophobicContact CG2-CG 4Å; I494-L514 HydrophobicContact CB-CD2 4.22Å; I494-L514 HydrophobicContact CD1-CD2 3.85Å; I494-L514 HydrophobicContact CG2-CD2 4.04Å; I494-L514 HydrophobicContact CG2-CG 4.46Å; I494-T517 HydrophobicContact CD1-CG2 3.92Å; I494-L518 HydrophobicContact CD1-CD1 4.03Å; I494-L518 HydrophobicContact CD1-CG 4.15Å
495	L	88	Confident	80.5	Confident	1 Å²	1	67 Å²	67	1%	0.005	35%	0.349	C	S	.	.	H	α-helix	trans	-62	-44.6	177.5	-175.7	65	0	0	0	111.2	F434 I491 I492 E498 C499 F510 F559 L560 N563 A602	F434-L495 HydrophobicContact CD2-CD2 4.23Å; F434-L495 HydrophobicContact CE2-CD2 3.76Å; I491-L495 WeakPolarHBondContact O-CB 3.48Å; I491-L495 PolarHBondContact O-N 2.9Å; I492-L495 PolarHBondContact O-N 2.72Å; L495-E498 PolarHBondContact O-N 2.99Å; L495-C499 WeakPolarHBondContact O-CB 3.3Å; L495-C499 PolarHBondContact O-N 3.38Å; L495-C499 PolarHBondContact O-SG 3.22Å; L495-F510 HydrophobicContact CB-CD2 4.34Å; L495-F510 HydrophobicContact CB-CE2 3.63Å; L495-F510 HydrophobicContact CB-CZ 4.01Å; L495-F510 HydrophobicContact CD1-CD1 4.12Å; L495-F510 HydrophobicContact CD1-CD2 3.91Å; L495-F510 HydrophobicContact CD1-CE1 3.92Å; L495-F510 HydrophobicContact CD1-CE2 3.71Å; L495-F510 HydrophobicContact CD1-CG 4.1Å; L495-F510 HydrophobicContact CD1-CZ 3.69Å; L495-F510 HydrophobicContact CG-CE2 4.26Å; L495-F510 HydrophobicContact CG-CZ 4.35Å; L495-F559 HydrophobicContact CD1-CB 4.17Å; L495-F559 HydrophobicContact CD1-CD1 4.44Å; L495-F559 HydrophobicContact CD2-CD1 4.43Å; L495-L560 HydrophobicContact CD1-CD2 3.93Å; L495-N563 HydrophobicContact CD2-CB 3.8Å; L495-N563 HydrophobicContact CG-CB 4.09Å; L495-N563 WeakPolarHBondContact CG-ND2 3.25Å; L495-A602 HydrophobicContact CD2-CB 4.48Å
496	D	84.1	Confident	80.1	Confident	22 Å²	22	67.3 Å²	67.3	12%	0.118	36%	0.356	C	S	.	.	H	α-helix	trans	-65.3	-38.8	177.2	-72.6	-7.9	0	0	0	112.2	I492 S493 C499 L500 N563 T600 T603	I492-D496 VanDerWaalsContact O-CG 3.31Å; I492-D496 PolarHBondContact O-N 3.04Å; S493-D496 PolarHBondContact O-N 2.95Å; D496-C499 WeakPolarHBondContact O-CB 3.28Å; D496-C499 PolarHBondContact O-N 3.05Å; D496-L500 WeakPolarHBondContact O-CD1 3.38Å; D496-L500 WeakPolarHBondContact O-CG 3.35Å; D496-L500 PolarHBondContact O-N 2.66Å; D496-L500 VanDerWaalsContact O-N 3.16Å; D496-N563 PolarHBondContact OD1-ND2 3.22Å; D496-T600 HydrophobicContact CB-CG2 4.45Å; D496-T600 VanDerWaalsContact OD1-CB 3.23Å; D496-T600 WeakPolarHBondContact OD1-CB 3.38Å; D496-T600 VanDerWaalsContact OD1-CG2 3.31Å; D496-T600 WeakPolarHBondContact OD1-CG2 3.32Å; D496-T600 PolarHBondContact OD1-OG1 3.22Å; D496-T600 PolarHBondContact OD2-OG1 2.83Å; D496-T600 VanDerWaalsContact OD2-OG1 3.11Å; D496-T603 PolarHBondContact OD2-OG1 3.21Å
497	E	84.5	Confident	80	Confident	101 Å²	101	64.1 Å²	64.1	47%	0.472	34%	0.342	S	S	.	.	H	α-helix	trans	-65.3	-41.9	177.1	-163.6	-168.8	149.3	0	0	112.1	S493 I494 L500 R501 K513	S493-E497 WeakPolarHBondContact O-CB 3.46Å; S493-E497 PolarHBondContact O-N 3.05Å; I494-E497 PolarHBondContact O-N 2.73Å; E497-L500 PolarHBondContact O-N 2.71Å; E497-L500 VanDerWaalsContact O-N 3.15Å; E497-R501 PolarHBondContact O-N 3.45Å; E497-K513 IonicContact OE1-NZ 3.04Å; E497-K513 PolarHBondContact OE1-NZ 3.34Å; E497-K513 IonicContact OE2-NZ 3.37Å; E497-K513 PolarHBondContact OE2-NZ 3Å
498	E	84.3	Confident	80.2	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-69.8	-34.4	176.1	-72.9	-59.6	118.6	0	0	112.4	I494 L495 L500 R501 T509 F510 K513 L560	I494-E498 PolarHBondContact O-N 2.9Å; L495-E498 PolarHBondContact O-N 2.99Å; E498-L500 PolarHBondContact O-N 2.98Å; E498-R501 WeakPolarHBondContact O-CB 3.46Å; E498-R501 PolarHBondContact O-N 3.48Å; E498-R501 IonicContact OE1-NH1 3.34Å; E498-R501 PolarHBondContact OE1-NH1 3.33Å; E498-R501 WeakPolarHBondContact OE2-CD 3.32Å; E498-R501 IonicContact OE2-CZ 3.26Å; E498-R501 IonicContact OE2-NH1 3.3Å; E498-R501 PolarHBondContact OE2-NH1 2.88Å; E498-T509 PolarHBondContact OE2-OG1 2.83Å; E498-F510 HydrophobicContact CB-CB 4.47Å; E498-F510 HydrophobicContact CG-CB 4.4Å; E498-F510 HydrophobicContact CG-CD2 4.49Å; E498-K513 HydrophobicContact CG-CD 3.89Å; E498-K513 WeakPolarHBondContact OE1-CD 3.25Å; E498-K513 WeakPolarHBondContact OE1-CE 3.33Å; E498-K513 IonicContact OE1-NZ 2.78Å; E498-K513 PolarHBondContact OE1-NZ 3.16Å; E498-L560 HydrophobicContact CB-CD2 4.01Å
499	C	77	Confident	80.5	Confident	21 Å²	21	54.4 Å²	54.4	14%	0.142	30%	0.302	C	S	.	.	H	α-helix	trans	-59.9	-28.4	169.4	-77	0	0	0	0	112.8	L495 D496 L560 N563 N564	L495-C499 WeakPolarHBondContact O-CB 3.3Å; L495-C499 PolarHBondContact O-N 3.38Å; L495-C499 PolarHBondContact O-SG 3.22Å; D496-C499 WeakPolarHBondContact O-CB 3.28Å; D496-C499 PolarHBondContact O-N 3.05Å; C499-L560 VanDerWaalsContact SG-CD2 3.52Å; C499-N563 PolarHBondContact SG-ND2 3.18Å; C499-N563 VanDerWaalsContact SG-ND2 3.45Å; C499-N564 VanDerWaalsContact CB-OD1 3.28Å; C499-N564 WeakPolarHBondContact CB-OD1 3.34Å; C499-N564 PolarHBondContact SG-OD1 3.22Å
500	L	72.3	Confident	80.8	Confident	105 Å²	105	48.7 Å²	48.7	55%	0.55	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-7.2	-178	-69.3	165.6	0	0	0	113.7	D496 E497 E498 P502	D496-L500 WeakPolarHBondContact O-CD1 3.38Å; D496-L500 WeakPolarHBondContact O-CG 3.35Å; D496-L500 PolarHBondContact O-N 2.66Å; D496-L500 VanDerWaalsContact O-N 3.16Å; E497-L500 PolarHBondContact O-N 2.71Å; E497-L500 VanDerWaalsContact O-N 3.15Å; E498-L500 PolarHBondContact O-N 2.98Å; L500-P502 WeakPolarHBondContact O-CD 3.44Å
501	R	73.9	Confident	80.7	Confident	132 Å²	132	49 Å²	49	50%	0.498	28%	0.279	S	S	.	.			trans	-67	123.9	-174.6	-169.1	178.3	-158.6	171.9	1.6	111.2	E497 E498 G503 A505	E497-R501 PolarHBondContact O-N 3.45Å; E498-R501 WeakPolarHBondContact O-CB 3.46Å; E498-R501 PolarHBondContact O-N 3.48Å; E498-R501 IonicContact OE1-NH1 3.34Å; E498-R501 PolarHBondContact OE1-NH1 3.33Å; E498-R501 WeakPolarHBondContact OE2-CD 3.32Å; E498-R501 IonicContact OE2-CZ 3.26Å; E498-R501 IonicContact OE2-NH1 3.3Å; E498-R501 PolarHBondContact OE2-NH1 2.88Å; R501-G503 PolarHBondContact O-N 3.27Å; R501-A505 HydrophobicContact CB-CB 4.45Å
502	P	58.3	Low	80.5	Confident	129 Å²	129	53.9 Å²	53.9	84%	0.838	30%	0.302	S	S	*	.	S	Bend	trans	-73.1	114.2	171.8	27	-29.9	0	0	0	110.1	L500	L500-P502 WeakPolarHBondContact O-CD 3.44Å
503	G	65.5	Low	80.4	Confident	62 Å²	62	55.9 Å²	55.9	64%	0.639	31%	0.31	S	S	*	.	S	Bend	trans	143.1	-169.6	-179.8	0	0	0	0	0	112.7	R501 A505	R501-G503 PolarHBondContact O-N 3.27Å; G503-A505 PolarHBondContact O-N 3.09Å
504	D	65.8	Low	80.3	Confident	170 Å²	170	54.7 Å²	54.7	91%	0.909	30%	0.302	S	S	*	.			trans	-75.7	67.7	174.3	-65.3	-34.1	0	0	0	110.9	S506	D504-S506 PolarHBondContact O-N 3.49Å
505	A	69.6	Low	80.2	Confident	39 Å²	39	55.7 Å²	55.7	32%	0.322	31%	0.307	S	S	.	.			trans	-66	129.2	172.1	0	0	0	0	0	109.6	R501 G503 L560	R501-A505 HydrophobicContact CB-CB 4.45Å; G503-A505 PolarHBondContact O-N 3.09Å; A505-L560 HydrophobicContact CB-CD1 4.39Å
506	S	81.2	Confident	80.1	Confident	48 Å²	48	62.6 Å²	62.6	34%	0.336	34%	0.344	S	S	.	.			trans	-133.3	161.3	179.6	65.4	0	0	0	0	110.9	D504 F508 T509 F510 L560	D504-S506 PolarHBondContact O-N 3.49Å; S506-F508 PolarHBondContact O-N 3.15Å; S506-F508 VanDerWaalsContact O-N 3.08Å; S506-T509 PolarHBondContact N-OG1 3.22Å; S506-T509 VanDerWaalsContact N-OG1 3.15Å; S506-T509 PolarHBondContact O-N 3.39Å; S506-T509 PolarHBondContact O-OG1 3.16Å; S506-F510 PolarHBondContact O-N 2.85Å; S506-L560 WeakPolarHBondContact O-CD1 3.41Å
507	D	84.7	Confident	80.2	Confident	25 Å²	25	64.9 Å²	64.9	13%	0.134	36%	0.358	C	S	.	.	H	α-helix	trans	-59.2	-25.7	179.2	-62.1	-50.8	0	0	0	112.4	F510 L511 V556 G558 F559 L560	D507-F510 WeakPolarHBondContact O-CB 3.26Å; D507-F510 PolarHBondContact O-N 3.48Å; D507-L511 PolarHBondContact O-N 2.93Å; D507-V556 HydrophobicContact CB-CB 4.26Å; D507-V556 HydrophobicContact CB-CG2 4.06Å; D507-V556 VanDerWaalsContact CB-O 3.31Å; D507-V556 WeakPolarHBondContact CB-O 3.27Å; D507-G558 PolarHBondContact OD2-N 3.33Å; D507-F559 PolarHBondContact OD1-N 3.17Å; D507-F559 VanDerWaalsContact OD1-N 3.16Å; D507-L560 PolarHBondContact OD1-N 3.33Å
508	F	84.7	Confident	80.2	Confident	102 Å²	102	60.8 Å²	60.8	45%	0.447	34%	0.34	S	S	.	.	H	α-helix	trans	-67.8	-42.2	172.6	-72	-82.8	0	0	0	112.9	S506 F510 L511 E512 E541	S506-F508 PolarHBondContact O-N 3.15Å; S506-F508 VanDerWaalsContact O-N 3.08Å; F508-F510 PolarHBondContact O-N 3.19Å; F508-L511 PolarHBondContact O-N 3.19Å; F508-L511 VanDerWaalsContact O-N 3.16Å; F508-E512 WeakPolarHBondContact O-CG 3.2Å; F508-E512 PolarHBondContact O-N 2.9Å; F508-E541 HydrophobicContact CD1-CG 4.36Å; F508-E541 HydrophobicContact CE1-CG 3.38Å; F508-E541 HydrophobicContact CZ-CG 3.53Å; F508-E541 VanDerWaalsContact CZ-OE1 3.25Å; F508-E541 WeakPolarHBondContact CZ-OE1 3.35Å
509	T	86.8	Confident	79.8	Confident	34 Å²	34	61.8 Å²	61.8	21%	0.209	35%	0.35	C	S	.	.	H	α-helix	trans	-66	-32.9	177.9	62	0	0	0	0	110.9	E498 S506 K513	E498-T509 PolarHBondContact OE2-OG1 2.83Å; S506-T509 PolarHBondContact N-OG1 3.22Å; S506-T509 VanDerWaalsContact N-OG1 3.15Å; S506-T509 PolarHBondContact O-N 3.39Å; S506-T509 PolarHBondContact O-OG1 3.16Å; T509-K513 WeakPolarHBondContact O-CB 3.34Å; T509-K513 PolarHBondContact O-N 3.27Å; T509-K513 VanDerWaalsContact O-N 3.12Å
510	F	88	Confident	79.9	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-62.3	-48.3	169.7	168.7	-115.6	0	0	0	112.3	I491 I494 L495 E498 S506 D507 F508 E512 K513 L514 V556 F559	I491-F510 HydrophobicContact CG2-CZ 4.21Å; I494-F510 HydrophobicContact CB-CE2 4.48Å; I494-F510 HydrophobicContact CG2-CD2 4.11Å; I494-F510 HydrophobicContact CG2-CE2 4.06Å; L495-F510 HydrophobicContact CB-CD2 4.34Å; L495-F510 HydrophobicContact CB-CE2 3.63Å; L495-F510 HydrophobicContact CB-CZ 4.01Å; L495-F510 HydrophobicContact CD1-CD1 4.12Å; L495-F510 HydrophobicContact CD1-CD2 3.91Å; L495-F510 HydrophobicContact CD1-CE1 3.92Å; L495-F510 HydrophobicContact CD1-CE2 3.71Å; L495-F510 HydrophobicContact CD1-CG 4.1Å; L495-F510 HydrophobicContact CD1-CZ 3.69Å; L495-F510 HydrophobicContact CG-CE2 4.26Å; L495-F510 HydrophobicContact CG-CZ 4.35Å; E498-F510 HydrophobicContact CB-CB 4.47Å; E498-F510 HydrophobicContact CG-CB 4.4Å; E498-F510 HydrophobicContact CG-CD2 4.49Å; S506-F510 PolarHBondContact O-N 2.85Å; D507-F510 WeakPolarHBondContact O-CB 3.26Å; D507-F510 PolarHBondContact O-N 3.48Å; F508-F510 PolarHBondContact O-N 3.19Å; F510-E512 PolarHBondContact O-N 2.89Å; F510-K513 PolarHBondContact O-N 2.9Å; F510-L514 HydrophobicContact CD1-CD1 4.21Å; F510-L514 HydrophobicContact CD2-CD1 4.44Å; F510-L514 HydrophobicContact CD2-CG 4.23Å; F510-L514 HydrophobicContact CE1-CD1 3.61Å; F510-L514 HydrophobicContact CE1-CG 4.4Å; F510-L514 HydrophobicContact CE2-CD1 3.85Å; F510-L514 HydrophobicContact CE2-CD2 3.89Å; F510-L514 HydrophobicContact CE2-CG 3.78Å; F510-L514 HydrophobicContact CZ-CD1 3.42Å; F510-L514 VanDerWaalsContact CZ-CD1 3.42Å; F510-L514 HydrophobicContact CZ-CD2 4.09Å; F510-L514 HydrophobicContact CZ-CG 3.9Å; F510-L514 WeakPolarHBondContact O-CG 3.34Å; F510-L514 PolarHBondContact O-N 3.11Å; F510-V556 HydrophobicContact CD1-CB 4.45Å; F510-V556 HydrophobicContact CD1-CG1 4.21Å; F510-V556 HydrophobicContact CE1-CG1 4.25Å; F510-F559 HydrophobicContact CD1-CB 4.5Å; F510-F559 HydrophobicContact CE1-CB 4.39Å; F510-F559 AromaticContact CE1-CD1 3.88Å; F510-F559 HydrophobicContact CE1-CD1 3.88Å; F510-F559 HydrophobicContact CE1-CG 4.39Å; F510-F559 HydrophobicContact CZ-CD1 4.44Å
511	L	88	Confident	80.6	Confident	7 Å²	7	62.1 Å²	62.1	4%	0.037	37%	0.37	C	S	.	.	H	α-helix	trans	-61.4	-42.9	178.2	-175.9	61	0	0	0	112.4	D507 F508 K513 L514 E515 T526 R540 F543 V556	D507-L511 PolarHBondContact O-N 2.93Å; F508-L511 PolarHBondContact O-N 3.19Å; F508-L511 VanDerWaalsContact O-N 3.16Å; L511-K513 VanDerWaalsContact C-N 3.34Å; L511-K513 PolarHBondContact O-N 3.28Å; L511-L514 WeakPolarHBondContact O-CB 3.42Å; L511-L514 PolarHBondContact O-N 2.88Å; L511-E515 WeakPolarHBondContact O-CG 2.95Å; L511-E515 PolarHBondContact O-N 3.07Å; L511-T526 HydrophobicContact CD1-CG2 4.33Å; L511-R540 WeakPolarHBondContact CD2-O 3.04Å; L511-F543 HydrophobicContact CD1-CB 4.02Å; L511-F543 HydrophobicContact CD1-CD1 4.49Å; L511-V556 HydrophobicContact CB-CG1 4.22Å; L511-V556 HydrophobicContact CB-CG2 4.25Å; L511-V556 HydrophobicContact CD1-CG1 4Å; L511-V556 HydrophobicContact CD2-CG2 4.27Å
512	E	86.8	Confident	81.1	Confident	103 Å²	103	60.5 Å²	60.5	48%	0.481	38%	0.377	S	S	.	.	H	α-helix	trans	-61.5	-42	176.8	-71.6	-172.3	152.4	0	0	111.9	F508 F510 L514 E515 D516 K528	F508-E512 WeakPolarHBondContact O-CG 3.2Å; F508-E512 PolarHBondContact O-N 2.9Å; F510-E512 PolarHBondContact O-N 2.89Å; E512-L514 VanDerWaalsContact C-N 3.33Å; E512-L514 PolarHBondContact O-N 3.1Å; E512-E515 WeakPolarHBondContact O-CB 3.47Å; E512-E515 PolarHBondContact O-N 2.94Å; E512-E515 VanDerWaalsContact O-N 3.11Å; E512-D516 PolarHBondContact O-N 3.14Å; E512-K528 IonicContact OE1-NZ 2.71Å
513	K	87.2	Confident	82.4	Confident	44 Å²	44	55.9 Å²	55.9	19%	0.191	34%	0.344	C	S	.	.	H	α-helix	trans	-67.8	-33.5	178	-163.9	168	-174.7	-175.6	0	113	I494 E497 E498 T509 F510 L511 E515 T517	I494-K513 HydrophobicContact CG2-CB 4.21Å; I494-K513 HydrophobicContact CG2-CD 4.13Å; I494-K513 HydrophobicContact CG2-CG 4Å; E497-K513 IonicContact OE1-NZ 3.04Å; E497-K513 PolarHBondContact OE1-NZ 3.34Å; E497-K513 IonicContact OE2-NZ 3.37Å; E497-K513 PolarHBondContact OE2-NZ 3Å; E498-K513 HydrophobicContact CG-CD 3.89Å; E498-K513 WeakPolarHBondContact OE1-CD 3.25Å; E498-K513 WeakPolarHBondContact OE1-CE 3.33Å; E498-K513 IonicContact OE1-NZ 2.78Å; E498-K513 PolarHBondContact OE1-NZ 3.16Å; T509-K513 WeakPolarHBondContact O-CB 3.34Å; T509-K513 PolarHBondContact O-N 3.27Å; T509-K513 VanDerWaalsContact O-N 3.12Å; F510-K513 PolarHBondContact O-N 2.9Å; L511-K513 VanDerWaalsContact C-N 3.34Å; L511-K513 PolarHBondContact O-N 3.28Å; K513-E515 VanDerWaalsContact C-N 3.34Å; K513-T517 WeakPolarHBondContact O-CB 3.37Å; K513-T517 PolarHBondContact O-N 3.08Å; K513-T517 PolarHBondContact O-OG1 3.02Å
514	L	87.6	Confident	83.5	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-63.1	-41.7	169.9	-70.8	176.6	0	0	0	111.2	I491 I494 F510 L511 E512 L518 F524 F543	I491-L514 HydrophobicContact CB-CD2 4.36Å; I491-L514 HydrophobicContact CG1-CD2 4.12Å; I491-L514 HydrophobicContact CG2-CD2 4.1Å; I494-L514 HydrophobicContact CB-CD2 4.22Å; I494-L514 HydrophobicContact CD1-CD2 3.85Å; I494-L514 HydrophobicContact CG2-CD2 4.04Å; I494-L514 HydrophobicContact CG2-CG 4.46Å; F510-L514 HydrophobicContact CD1-CD1 4.21Å; F510-L514 HydrophobicContact CD2-CD1 4.44Å; F510-L514 HydrophobicContact CD2-CG 4.23Å; F510-L514 HydrophobicContact CE1-CD1 3.61Å; F510-L514 HydrophobicContact CE1-CG 4.4Å; F510-L514 HydrophobicContact CE2-CD1 3.85Å; F510-L514 HydrophobicContact CE2-CD2 3.89Å; F510-L514 HydrophobicContact CE2-CG 3.78Å; F510-L514 HydrophobicContact CZ-CD1 3.42Å; F510-L514 VanDerWaalsContact CZ-CD1 3.42Å; F510-L514 HydrophobicContact CZ-CD2 4.09Å; F510-L514 HydrophobicContact CZ-CG 3.9Å; F510-L514 WeakPolarHBondContact O-CG 3.34Å; F510-L514 PolarHBondContact O-N 3.11Å; L511-L514 WeakPolarHBondContact O-CB 3.42Å; L511-L514 PolarHBondContact O-N 2.88Å; E512-L514 VanDerWaalsContact C-N 3.33Å; E512-L514 PolarHBondContact O-N 3.1Å; L514-L518 HydrophobicContact CD2-CD1 3.86Å; L514-L518 WeakPolarHBondContact O-CA 2.91Å; L514-L518 WeakPolarHBondContact O-CB 3.39Å; L514-L518 PolarHBondContact O-N 3.11Å; L514-F524 HydrophobicContact CB-CE1 4.5Å; L514-F524 HydrophobicContact CB-CZ 3.8Å; L514-F524 HydrophobicContact CD1-CZ 4.48Å; L514-F543 HydrophobicContact CD1-CD1 4.3Å
515	E	86.8	Confident	84.5	Confident	24 Å²	24	46.7 Å²	46.7	11%	0.112	28%	0.281	C	S	.	.	H	α-helix	trans	-61.3	-45.9	176.8	-70.2	179.1	146.7	0	0	111.9	L511 E512 K513 G519 T526 K528	L511-E515 WeakPolarHBondContact O-CG 2.95Å; L511-E515 PolarHBondContact O-N 3.07Å; E512-E515 WeakPolarHBondContact O-CB 3.47Å; E512-E515 PolarHBondContact O-N 2.94Å; E512-E515 VanDerWaalsContact O-N 3.11Å; K513-E515 VanDerWaalsContact C-N 3.34Å; E515-G519 VanDerWaalsContact O-CA 3.26Å; E515-G519 WeakPolarHBondContact O-CA 3.34Å; E515-G519 PolarHBondContact O-N 2.74Å; E515-T526 HydrophobicContact CG-CG2 3.6Å; E515-T526 WeakPolarHBondContact CG-OG1 2.9Å; E515-T526 VanDerWaalsContact OE1-CB 3.26Å; E515-T526 WeakPolarHBondContact OE1-CB 3.27Å; E515-T526 PolarHBondContact OE1-OG1 2.97Å; E515-K528 WeakPolarHBondContact OE1-CG 3.39Å; E515-K528 WeakPolarHBondContact OE2-CD 3.29Å; E515-K528 WeakPolarHBondContact OE2-CE 3.44Å; E515-K528 IonicContact OE2-NZ 2.93Å; E515-K528 PolarHBondContact OE2-NZ 2.94Å
516	D	85.9	Confident	85.2	Confident	145 Å²	145	44.9 Å²	44.9	78%	0.775	27%	0.265	S	S	*	.	H	α-helix	trans	-66.9	-38.7	-179.3	-70.6	-19.3	0	0	0	112.5	E512	E512-D516 PolarHBondContact O-N 3.14Å
517	T	84.8	Confident	85.1	Confident	70 Å²	70	44.8 Å²	44.8	43%	0.429	26%	0.26	S	S	.	.	H	α-helix	trans	-87.9	-38.5	-173.6	-47.5	0	0	0	0	112.7	I494 K513	I494-T517 HydrophobicContact CD1-CG2 3.92Å; K513-T517 WeakPolarHBondContact O-CB 3.37Å; K513-T517 PolarHBondContact O-N 3.08Å; K513-T517 PolarHBondContact O-OG1 3.02Å
518	L	84.3	Confident	84.6	Confident	16 Å²	16	49.2 Å²	49.2	8%	0.084	28%	0.278	C	S	.	.	H	α-helix	trans	-115.2	-1.9	-169.7	-60.1	176.5	0	0	0	113.9	L483 I491 I494 L514 G520 H521 F524	L483-L518 HydrophobicContact CD1-CB 4.44Å; L483-L518 HydrophobicContact CD1-CD1 3.92Å; L483-L518 HydrophobicContact CD1-CD2 3.65Å; L483-L518 HydrophobicContact CD1-CG 4.22Å; I491-L518 HydrophobicContact CD1-CD1 4.39Å; I491-L518 HydrophobicContact CG1-CD1 3.52Å; I494-L518 HydrophobicContact CD1-CD1 4.03Å; I494-L518 HydrophobicContact CD1-CG 4.15Å; L514-L518 HydrophobicContact CD2-CD1 3.86Å; L514-L518 WeakPolarHBondContact O-CA 2.91Å; L514-L518 WeakPolarHBondContact O-CB 3.39Å; L514-L518 PolarHBondContact O-N 3.11Å; L518-G520 PolarHBondContact O-N 3.32Å; L518-H521 VanDerWaalsContact O-CB 3.3Å; L518-H521 WeakPolarHBondContact O-CB 3.31Å; L518-H521 PolarHBondContact O-N 3.18Å; L518-F524 HydrophobicContact CB-CD1 3.8Å; L518-F524 HydrophobicContact CB-CE1 4.03Å; L518-F524 HydrophobicContact CB-CG 4.13Å; L518-F524 WeakPolarHBondContact O-CD1 3.39Å
519	G	77.6	Confident	84	Confident	22 Å²	22	48.5 Å²	48.5	23%	0.227	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-20.3	-173.2	0	0	0	0	0	116.2	E515	E515-G519 VanDerWaalsContact O-CA 3.26Å; E515-G519 WeakPolarHBondContact O-CA 3.34Å; E515-G519 PolarHBondContact O-N 2.74Å
520	G	79.3	Confident	83.3	Confident	85 Å²	85	47 Å²	47	88%	0.876	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-2.7	174.7	0	0	0	0	0	115.1	L518	L518-G520 PolarHBondContact O-N 3.32Å
521	H	86.2	Confident	82.6	Confident	47 Å²	47	53 Å²	53	22%	0.218	30%	0.302	C	S	.	.			trans	-82.7	131.7	-172.2	-168.6	-87.9	0	0	0	112.1	L483 L518 H523 F524	L483-H521 HydrophobicContact CD1-CB 4.23Å; L518-H521 VanDerWaalsContact O-CB 3.3Å; L518-H521 WeakPolarHBondContact O-CB 3.31Å; L518-H521 PolarHBondContact O-N 3.18Å; H521-H523 PolarHBondContact ND1-N 2.99Å; H521-H523 PolarHBondContact O-N 3.1Å; H521-F524 HydrophobicContact CB-CB 4.18Å; H521-F524 PolarHBondContact O-N 3.15Å
522	P	84.6	Confident	81.6	Confident	99 Å²	99	55.4 Å²	55.4	64%	0.643	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-19.5	-172.4	23.1	-33.7	0	0	0	114.7	L546	P522-L546 VanDerWaalsContact O-CD1 3.26Å; P522-L546 WeakPolarHBondContact O-CD1 2.96Å
523	H	85.8	Confident	80.7	Confident	32 Å²	32	59.3 Å²	59.3	15%	0.148	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	5.4	178.8	-70	-91.5	0	0	0	114.5	F475 I480 L483 H521 L545 L546	F475-H523 AromaticContact CZ-CE1 3.96Å; I480-H523 HydrophobicContact CG1-CB 4.31Å; L483-H523 HydrophobicContact CD2-CB 4.27Å; H521-H523 PolarHBondContact ND1-N 2.99Å; H521-H523 PolarHBondContact O-N 3.1Å; H523-L545 WeakPolarHBondContact O-CA 3.28Å; H523-L546 HydrophobicContact CB-CB 4.13Å; H523-L546 PolarHBondContact ND1-O 3.41Å; H523-L546 PolarHBondContact O-N 3.3Å
524	F	88.9	Confident	79.8	Confident	6 Å²	6	58.8 Å²	58.8	3%	0.026	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	129.8	-177.8	-178.1	-102.1	0	0	0	110.5	L483 L514 L518 H521 T526 F543 L545	L483-F524 HydrophobicContact CD2-CB 4.27Å; L514-F524 HydrophobicContact CB-CE1 4.5Å; L514-F524 HydrophobicContact CB-CZ 3.8Å; L514-F524 HydrophobicContact CD1-CZ 4.48Å; L518-F524 HydrophobicContact CB-CD1 3.8Å; L518-F524 HydrophobicContact CB-CE1 4.03Å; L518-F524 HydrophobicContact CB-CG 4.13Å; L518-F524 WeakPolarHBondContact O-CD1 3.39Å; H521-F524 HydrophobicContact CB-CB 4.18Å; H521-F524 PolarHBondContact O-N 3.15Å; F524-T526 HydrophobicContact CD1-CG2 4.41Å; F524-T526 HydrophobicContact CE1-CG2 3.46Å; F524-T526 VanDerWaalsContact CE1-CG2 3.46Å; F524-T526 HydrophobicContact CE2-CG2 4.45Å; F524-T526 HydrophobicContact CZ-CG2 3.46Å; F524-T526 VanDerWaalsContact CZ-CG2 3.46Å; F524-F543 HydrophobicContact CD2-CD2 4.44Å; F524-F543 HydrophobicContact CE2-CB 3.79Å; F524-F543 AromaticContact CE2-CD2 3.81Å; F524-F543 HydrophobicContact CE2-CD2 3.81Å; F524-F543 HydrophobicContact CE2-CG 4.06Å; F524-F543 HydrophobicContact CZ-CB 4.04Å; F524-L545 HydrophobicContact CD2-CD2 3.79Å
525	V	86.8	Confident	79	Confident	33 Å²	33	64.5 Å²	64.5	20%	0.2	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	140.4	179.4	-179.5	0	0	0	0	109.1	A530 M538 R544	V525-A530 HydrophobicContact CG1-CB 3.79Å; V525-M538 WeakPolarHBondContact O-CE 3.36Å; V525-R544 HydrophobicContact CB-CB 4.24Å; V525-R544 PolarHBondContact N-O 3.17Å; V525-R544 PolarHBondContact O-N 2.89Å
526	T	83.5	Confident	78.1	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	169.5	170.6	71.2	0	0	0	0	111	L511 E515 F524 K528 L529 A530 F543	L511-T526 HydrophobicContact CD1-CG2 4.33Å; E515-T526 HydrophobicContact CG-CG2 3.6Å; E515-T526 WeakPolarHBondContact CG-OG1 2.9Å; E515-T526 VanDerWaalsContact OE1-CB 3.26Å; E515-T526 WeakPolarHBondContact OE1-CB 3.27Å; E515-T526 PolarHBondContact OE1-OG1 2.97Å; F524-T526 HydrophobicContact CD1-CG2 4.41Å; F524-T526 HydrophobicContact CE1-CG2 3.46Å; F524-T526 VanDerWaalsContact CE1-CG2 3.46Å; F524-T526 HydrophobicContact CE2-CG2 4.45Å; F524-T526 HydrophobicContact CZ-CG2 3.46Å; F524-T526 VanDerWaalsContact CZ-CG2 3.46Å; T526-K528 PolarHBondContact O-N 3.32Å; T526-L529 CarbonylContact O-C 3.47Å; T526-L529 PolarHBondContact O-N 2.97Å; T526-L529 VanDerWaalsContact O-N 3.08Å; T526-A530 WeakPolarHBondContact O-CB 3.41Å; T526-A530 PolarHBondContact O-N 2.76Å; T526-F543 HydrophobicContact CG2-CB 4.17Å
527	H	78.3	Confident	77.3	Confident	46 Å²	46	70.5 Å²	70.5	21%	0.213	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-35.8	178.2	-177.1	-80	0	0	0	113	R535 M538 G539	H527-R535 PolarHBondContact O-NE 3.39Å; H527-M538 PolarHBondContact CD2-O 3.45Å; H527-M538 VanDerWaalsContact CD2-O 3.32Å; H527-G539 WeakPolarHBondContact CB-O 3.17Å
528	K	73.9	Confident	76.9	Confident	118 Å²	118	67.5 Å²	67.5	51%	0.513	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-41	176.6	-66.1	-172.6	-164.6	152.4	0	111.8	E512 E515 T526 R535	E512-K528 IonicContact OE1-NZ 2.71Å; E515-K528 WeakPolarHBondContact OE1-CG 3.39Å; E515-K528 WeakPolarHBondContact OE2-CD 3.29Å; E515-K528 WeakPolarHBondContact OE2-CE 3.44Å; E515-K528 IonicContact OE2-NZ 2.93Å; E515-K528 PolarHBondContact OE2-NZ 2.94Å; T526-K528 PolarHBondContact O-N 3.32Å; K528-R535 PolarHBondContact O-NH2 3.45Å
529	L	72.8	Confident	76.6	Confident	88 Å²	88	68.1 Å²	68.1	46%	0.461	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-13	-175.7	-62.1	165.7	0	0	0	114	T526	T526-L529 CarbonylContact O-C 3.47Å; T526-L529 PolarHBondContact O-N 2.97Å; T526-L529 VanDerWaalsContact O-N 3.08Å
530	A	72.3	Confident	76.6	Confident	3 Å²	3	76.8 Å²	76.8	3%	0.025	41%	0.41	C	S	.	.	S	Bend	trans	-77.1	147.3	-173.6	0	0	0	0	0	114.5	V525 T526 T534 R535	V525-A530 HydrophobicContact CG1-CB 3.79Å; T526-A530 WeakPolarHBondContact O-CB 3.41Å; T526-A530 PolarHBondContact O-N 2.76Å; A530-T534 HydrophobicContact CB-CG2 3.96Å; A530-R535 HydrophobicContact CB-CG 4Å; A530-R535 WeakPolarHBondContact O-CG 3.45Å; A530-R535 PolarHBondContact O-NE 3.15Å
531	D	74.3	Confident	76.9	Confident	126 Å²	126	75.9 Å²	75.9	67%	0.674	38%	0.383	S	S	*	.			trans	-63.6	159	172.5	-68.2	-28	0	0	0	112.9	K533 T534 R535	D531-K533 PolarHBondContact O-N 2.94Å; D531-T534 WeakPolarHBondContact O-CA 3.49Å; D531-T534 WeakPolarHBondContact O-CB 3.32Å; D531-T534 PolarHBondContact O-N 3.23Å; D531-R535 PolarHBondContact O-N 3.44Å
532	G	66.5	Low	76.9	Confident	56 Å²	56	74.9 Å²	74.9	58%	0.577	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-23.1	-175.9	0	0	0	0	0	116.2
533	K	67.7	Low	77.2	Confident	185 Å²	185	70.2 Å²	70.2	80%	0.804	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-39.2	170.7	-78.9	-177.1	178.7	176.3	0	112	D531 K536	D531-K533 PolarHBondContact O-N 2.94Å; K533-K536 PolarHBondContact O-N 3.14Å
534	T	67.9	Low	77.4	Confident	34 Å²	34	69.8 Å²	69.8	21%	0.209	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-74.2	-34	-175.8	-46.8	0	0	0	0	111.4	A530 D531 K536 V537 M538	A530-T534 HydrophobicContact CB-CG2 3.96Å; D531-T534 WeakPolarHBondContact O-CA 3.49Å; D531-T534 WeakPolarHBondContact O-CB 3.32Å; D531-T534 PolarHBondContact O-N 3.23Å; T534-K536 PolarHBondContact O-N 3.45Å; T534-V537 PolarHBondContact O-N 3.08Å; T534-V537 VanDerWaalsContact O-N 3.16Å; T534-M538 WeakPolarHBondContact O-CB 3.28Å; T534-M538 PolarHBondContact O-N 3.36Å
535	R	70.3	Confident	77.5	Confident	119 Å²	119	69.5 Å²	69.5	45%	0.449	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-60.7	-21.4	171.1	-71.6	-177.5	-178.2	167.3	3.5	114.7	H527 K528 A530 D531	H527-R535 PolarHBondContact O-NE 3.39Å; K528-R535 PolarHBondContact O-NH2 3.45Å; A530-R535 HydrophobicContact CB-CG 4Å; A530-R535 WeakPolarHBondContact O-CG 3.45Å; A530-R535 PolarHBondContact O-NE 3.15Å; D531-R535 PolarHBondContact O-N 3.44Å
536	K	67.7	Low	77.5	Confident	187 Å²	187	70.1 Å²	70.1	81%	0.813	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-78	-20.1	176.7	-70.8	-172.3	178.2	-174.3	0	113.7	K533 T534	K533-K536 PolarHBondContact O-N 3.14Å; T534-K536 PolarHBondContact O-N 3.45Å
537	V	70.4	Confident	77.6	Confident	108 Å²	108	70.6 Å²	70.6	66%	0.655	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.2	-20.4	-173.6	-177.3	0	0	0	0	111.6	T534	T534-V537 PolarHBondContact O-N 3.08Å; T534-V537 VanDerWaalsContact O-N 3.16Å
538	M	75.3	Confident	77.6	Confident	8 Å²	8	69.9 Å²	69.9	4%	0.039	34%	0.344	C	S	.	.	S	Bend	trans	-104.3	136.6	-173.3	-169.7	169.2	-167.8	0	0	111.1	V525 H527 T534 E542 F543 R544	V525-M538 WeakPolarHBondContact O-CE 3.36Å; H527-M538 PolarHBondContact CD2-O 3.45Å; H527-M538 VanDerWaalsContact CD2-O 3.32Å; T534-M538 WeakPolarHBondContact O-CB 3.28Å; T534-M538 PolarHBondContact O-N 3.36Å; M538-E542 HydrophobicContact CE-CB 4.22Å; M538-E542 VanDerWaalsContact CE-O 3.23Å; M538-E542 WeakPolarHBondContact CE-O 3.12Å; M538-E542 HydrophobicContact CG-CB 4.11Å; M538-F543 VanDerWaalsContact CE-CA 3.43Å; M538-R544 HydrophobicContact CE-CB 3.62Å; M538-R544 HydrophobicContact SD-CB 4.29Å
539	G	77.5	Confident	77.5	Confident	29 Å²	29	64.4 Å²	64.4	30%	0.299	32%	0.32	S	S	.	.			trans	-74.3	162.3	173.4	0	0	0	0	0	113	H527 E541 E542	H527-G539 WeakPolarHBondContact CB-O 3.17Å; G539-E541 PolarHBondContact O-N 2.87Å; G539-E542 PolarHBondContact N-OE2 3.13Å; G539-E542 PolarHBondContact O-N 2.81Å
540	R	79.5	Confident	77.8	Confident	203 Å²	203	61.3 Å²	61.3	77%	0.766	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-23.3	174.4	-69.4	-176.1	-179.9	-177.4	0.3	113.3	L511	L511-R540 WeakPolarHBondContact CD2-O 3.04Å
541	E	83.8	Confident	78.4	Confident	67 Å²	67	66.5 Å²	66.5	31%	0.313	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	25.2	-179.4	-69	159.2	-156.3	0	0	111.7	F508 G539 N555 V556 N557	F508-E541 HydrophobicContact CD1-CG 4.36Å; F508-E541 HydrophobicContact CE1-CG 3.38Å; F508-E541 HydrophobicContact CZ-CG 3.53Å; F508-E541 VanDerWaalsContact CZ-OE1 3.25Å; F508-E541 WeakPolarHBondContact CZ-OE1 3.35Å; G539-E541 PolarHBondContact O-N 2.87Å; E541-N555 WeakPolarHBondContact O-CA 3.29Å; E541-V556 HydrophobicContact CB-CG2 4.36Å; E541-V556 WeakPolarHBondContact O-CG2 3.25Å; E541-V556 PolarHBondContact O-N 3.33Å; E541-N557 PolarHBondContact OE2-ND2 2.97Å; E541-N557 PolarHBondContact OE2-OD1 3.1Å
542	E	88.2	Confident	79	Confident	26 Å²	26	60.6 Å²	60.6	12%	0.121	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	147.6	-176.9	-62.6	-177.2	161.5	0	0	111.2	M538 G539 Y554 N555	M538-E542 HydrophobicContact CE-CB 4.22Å; M538-E542 VanDerWaalsContact CE-O 3.23Å; M538-E542 WeakPolarHBondContact CE-O 3.12Å; M538-E542 HydrophobicContact CG-CB 4.11Å; G539-E542 PolarHBondContact N-OE2 3.13Å; G539-E542 PolarHBondContact O-N 2.81Å; E542-Y554 CarbonylContact C-O 3.54Å; E542-Y554 WeakPolarHBondContact CA-O 3.31Å; E542-N555 HydrophobicContact CG-CB 4.27Å
543	F	90.6	Very high	80.2	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	149.9	162.9	69.7	-88.3	0	0	0	109.7	F437 L511 L514 F524 T526 M538 L545 Y554 V556 F559	F437-F543 HydrophobicContact CD2-CE2 4.47Å; F437-F543 HydrophobicContact CD2-CZ 4.3Å; L511-F543 HydrophobicContact CD1-CB 4.02Å; L511-F543 HydrophobicContact CD1-CD1 4.49Å; L514-F543 HydrophobicContact CD1-CD1 4.3Å; F524-F543 HydrophobicContact CD2-CD2 4.44Å; F524-F543 HydrophobicContact CE2-CB 3.79Å; F524-F543 AromaticContact CE2-CD2 3.81Å; F524-F543 HydrophobicContact CE2-CD2 3.81Å; F524-F543 HydrophobicContact CE2-CG 4.06Å; F524-F543 HydrophobicContact CZ-CB 4.04Å; T526-F543 HydrophobicContact CG2-CB 4.17Å; M538-F543 VanDerWaalsContact CE-CA 3.43Å; F543-L545 HydrophobicContact CD2-CD1 4.47Å; F543-L545 HydrophobicContact CD2-CG 4.08Å; F543-L545 HydrophobicContact CE2-CD1 3.83Å; F543-L545 HydrophobicContact CE2-CG 3.94Å; F543-Y554 HydrophobicContact CD2-CD2 4.14Å; F543-Y554 AromaticContact CE2-CD2 3.54Å; F543-Y554 HydrophobicContact CE2-CD2 3.54Å; F543-Y554 HydrophobicContact CE2-CE2 4.4Å; F543-Y554 HydrophobicContact CE2-CG 4.04Å; F543-Y554 AromaticContact CZ-CD2 3.91Å; F543-Y554 HydrophobicContact CZ-CD2 3.91Å; F543-Y554 AromaticContact CZ-CG 3.91Å; F543-Y554 HydrophobicContact CZ-CG 3.91Å; F543-Y554 PolarHBondContact N-O 2.61Å; F543-Y554 PolarHBondContact O-N 3.11Å; F543-V556 HydrophobicContact CD1-CG1 3.6Å; F543-V556 HydrophobicContact CE1-CG1 3.87Å; F543-F559 HydrophobicContact CE1-CE1 4.01Å; F543-F559 HydrophobicContact CE1-CZ 4.01Å; F543-F559 HydrophobicContact CZ-CE1 4.03Å; F543-F559 HydrophobicContact CZ-CZ 4.11Å
544	R	89.9	Confident	81.3	Confident	23 Å²	23	50.7 Å²	50.7	9%	0.087	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	129.8	-177.8	177	-179.6	-62.7	-169.9	11.1	109.3	V525 M538 E551 V552 N553	V525-R544 HydrophobicContact CB-CB 4.24Å; V525-R544 PolarHBondContact N-O 3.17Å; V525-R544 PolarHBondContact O-N 2.89Å; M538-R544 HydrophobicContact CE-CB 3.62Å; M538-R544 HydrophobicContact SD-CB 4.29Å; R544-E551 HydrophobicContact CG-CB 4.34Å; R544-E551 IonicContact CZ-OE2 2.85Å; R544-E551 IonicContact NE-OE2 2.66Å; R544-E551 IonicContact NH1-OE2 3.04Å; R544-E551 PolarHBondContact NH1-OE2 2.9Å; R544-V552 VanDerWaalsContact CA-O 3.29Å; R544-V552 WeakPolarHBondContact CA-O 3.48Å; R544-N553 PolarHBondContact NE-OD1 3.01Å; R544-N553 PolarHBondContact NH2-OD1 3.23Å
545	L	90.4	Very high	82.3	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	136.1	169.9	-68.1	173.5	0	0	0	110.8	F437 L483 I491 H523 F524 F543 H547 V552 Y554	F437-L545 HydrophobicContact CD2-CD1 4.08Å; F437-L545 HydrophobicContact CE2-CD1 3.83Å; L483-L545 HydrophobicContact CD2-CD2 3.62Å; I491-L545 HydrophobicContact CD1-CD1 3.93Å; I491-L545 HydrophobicContact CD1-CD2 3.91Å; I491-L545 HydrophobicContact CD1-CG 4.47Å; H523-L545 WeakPolarHBondContact O-CA 3.28Å; F524-L545 HydrophobicContact CD2-CD2 3.79Å; F543-L545 HydrophobicContact CD2-CD1 4.47Å; F543-L545 HydrophobicContact CD2-CG 4.08Å; F543-L545 HydrophobicContact CE2-CD1 3.83Å; F543-L545 HydrophobicContact CE2-CG 3.94Å; L545-H547 PolarHBondContact O-N 2.84Å; L545-V552 PolarHBondContact N-O 2.92Å; L545-V552 PolarHBondContact O-N 3.43Å; L545-Y554 HydrophobicContact CB-CE2 4.06Å; L545-Y554 HydrophobicContact CD1-CD2 4.31Å; L545-Y554 HydrophobicContact CD1-CE2 3.86Å; L545-Y554 HydrophobicContact CG-CD2 4.46Å; L545-Y554 HydrophobicContact CG-CE2 4.19Å
546	L	87.1	Confident	83.1	Confident	45 Å²	45	45.1 Å²	45.1	24%	0.236	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	84.5	174.5	-67.2	162.6	0	0	0	109	I480 P522 H523 E551	I480-L546 VanDerWaalsContact CD1-O 3.25Å; I480-L546 WeakPolarHBondContact CD1-O 3.32Å; P522-L546 VanDerWaalsContact O-CD1 3.26Å; P522-L546 WeakPolarHBondContact O-CD1 2.96Å; H523-L546 HydrophobicContact CB-CB 4.13Å; H523-L546 PolarHBondContact ND1-O 3.41Å; H523-L546 PolarHBondContact O-N 3.3Å; L546-E551 HydrophobicContact CD2-CB 4.06Å; L546-E551 HydrophobicContact CD2-CG 3.57Å
547	H	85.9	Confident	83.8	Confident	10 Å²	10	39.4 Å²	39.4	5%	0.046	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	165.3	177.1	-71	-84	0	0	0	111.9	F426 E444 L545 A549 G550 Y554	F426-H547 HydrophobicContact CE2-CB 3.83Å; F426-H547 AromaticContact CE2-CG 3.86Å; F426-H547 HydrophobicContact CZ-CB 3.55Å; F426-H547 AromaticContact CZ-CD2 3.94Å; F426-H547 AromaticContact CZ-CG 3.64Å; E444-H547 WeakPolarHBondContact OE2-CB 3.3Å; E444-H547 IonicContact OE2-CE1 3.95Å; E444-H547 IonicContact OE2-CG 2.7Å; E444-H547 IonicContact OE2-ND1 3.01Å; E444-H547 PolarHBondContact OE2-ND1 2.72Å; L545-H547 PolarHBondContact O-N 2.84Å; H547-A549 PolarHBondContact O-N 2.77Å; H547-A549 VanDerWaalsContact O-N 3.14Å; H547-G550 WeakPolarHBondContact CB-O 3.44Å; H547-G550 PolarHBondContact N-O 3.33Å; H547-G550 PolarHBondContact O-N 2.8Å; H547-G550 VanDerWaalsContact O-N 3.14Å; H547-Y554 AromaticContact NE2-CE2 3.67Å; H547-Y554 AromaticContact NE2-CZ 3.69Å; H547-Y554 PolarHBondContact NE2-OH 2.61Å
548	Y	77.8	Confident	84.2	Confident	31 Å²	31	35 Å²	35	12%	0.122	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-29.5	172.9	81.7	-77.6	0	0	0	113.1	F426 E444 Q447 Y649	F426-Y548 HydrophobicContact CD2-CE1 4.05Å; F426-Y548 HydrophobicContact CE2-CE1 4.27Å; E444-Y548 WeakPolarHBondContact OE1-CB 3.39Å; E444-Y548 VanDerWaalsContact OE1-CD1 3.27Å; E444-Y548 WeakPolarHBondContact OE1-CD1 3.2Å; E444-Y548 PolarHBondContact OE1-N 2.96Å; E444-Y548 WeakPolarHBondContact OE2-CD1 3.48Å; Q447-Y548 HydrophobicContact CB-CE1 4.22Å; Q447-Y548 HydrophobicContact CB-CE2 4.26Å; Q447-Y548 HydrophobicContact CG-CD2 3.88Å; Q447-Y548 HydrophobicContact CG-CE1 4.46Å; Q447-Y548 HydrophobicContact CG-CE2 3.71Å; Q447-Y548 HydrophobicContact CG-CG 4.3Å; Y548-Y649 WeakPolarHBondContact CE2-O 3.39Å; Y548-Y649 PolarHBondContact OH-O 2.76Å
549	A	71.9	Confident	84.6	Confident	3 Å²	3	34.7 Å²	34.7	3%	0.025	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-28.1	-179.4	0	0	0	0	0	114	F426 H547 Y649	F426-A549 HydrophobicContact CD1-CB 3.62Å; F426-A549 HydrophobicContact CD2-CB 3.86Å; F426-A549 HydrophobicContact CE1-CB 3.46Å; F426-A549 VanDerWaalsContact CE1-CB 3.46Å; F426-A549 HydrophobicContact CE2-CB 3.72Å; F426-A549 HydrophobicContact CG-CB 3.83Å; F426-A549 HydrophobicContact CZ-CB 3.54Å; H547-A549 PolarHBondContact O-N 2.77Å; H547-A549 VanDerWaalsContact O-N 3.14Å; A549-Y649 HydrophobicContact CB-CG 4.49Å
550	G	78.4	Confident	84.7	Confident	24 Å²	24	33.7 Å²	33.7	25%	0.247	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	145.9	-174.3	-169.4	0	0	0	0	0	112.7	H547	H547-G550 WeakPolarHBondContact CB-O 3.44Å; H547-G550 PolarHBondContact N-O 3.33Å; H547-G550 PolarHBondContact O-N 2.8Å; H547-G550 VanDerWaalsContact O-N 3.14Å
551	E	85.6	Confident	84.4	Confident	112 Å²	112	29.7 Å²	29.7	52%	0.523	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	133.8	-177.9	-29.7	-169.5	163.7	0	0	110.8	R544 L546	R544-E551 HydrophobicContact CG-CB 4.34Å; R544-E551 IonicContact CZ-OE2 2.85Å; R544-E551 IonicContact NE-OE2 2.66Å; R544-E551 IonicContact NH1-OE2 3.04Å; R544-E551 PolarHBondContact NH1-OE2 2.9Å; L546-E551 HydrophobicContact CD2-CB 4.06Å; L546-E551 HydrophobicContact CD2-CG 3.57Å
552	V	87.6	Confident	84.1	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	128	178.5	-172.2	0	0	0	0	109.9	F426 V428 N432 R544 L545 Y554	F426-V552 HydrophobicContact CE1-CG2 3.79Å; F426-V552 HydrophobicContact CZ-CG2 3.84Å; V428-V552 HydrophobicContact CG1-CG2 4.44Å; V428-V552 HydrophobicContact CG2-CG2 3.83Å; N432-V552 HydrophobicContact CB-CG1 4.18Å; R544-V552 VanDerWaalsContact CA-O 3.29Å; R544-V552 WeakPolarHBondContact CA-O 3.48Å; L545-V552 PolarHBondContact N-O 2.92Å; L545-V552 PolarHBondContact O-N 3.43Å; V552-Y554 HydrophobicContact CB-CE2 3.82Å; V552-Y554 HydrophobicContact CG1-CD1 4.31Å; V552-Y554 HydrophobicContact CG1-CD2 4.33Å; V552-Y554 HydrophobicContact CG1-CE1 3.72Å; V552-Y554 HydrophobicContact CG1-CE2 3.77Å; V552-Y554 VanDerWaalsContact CG1-CZ 3.44Å
553	N	90.1	Very high	83.7	Confident	33 Å²	33	28.2 Å²	28.2	18%	0.176	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	124.2	172.7	-60.4	-21.6	0	0	0	109.3	N432 R544	N432-N553 VanDerWaalsContact CB-O 3.3Å; N432-N553 WeakPolarHBondContact CB-O 3.4Å; N432-N553 PolarHBondContact ND2-O 3.41Å; R544-N553 PolarHBondContact NE-OD1 3.01Å; R544-N553 PolarHBondContact NH2-OD1 3.23Å
554	Y	90.6	Very high	82.7	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	130	175.9	-59.4	-81.2	0	0	0	109.9	N432 Q436 F437 N440 E542 F543 L545 H547 V552	N432-Y554 HydrophobicContact CB-CD1 3.69Å; N432-Y554 HydrophobicContact CB-CE1 4.04Å; N432-Y554 WeakPolarHBondContact O-CA 3.26Å; Q436-Y554 HydrophobicContact CB-CE1 4.06Å; F437-Y554 HydrophobicContact CB-CD1 3.92Å; F437-Y554 HydrophobicContact CB-CE1 3.82Å; F437-Y554 HydrophobicContact CD2-CE2 4.49Å; N440-Y554 WeakPolarHBondContact CB-OH 3.3Å; N440-Y554 PolarHBondContact ND2-OH 3.41Å; E542-Y554 CarbonylContact C-O 3.54Å; E542-Y554 WeakPolarHBondContact CA-O 3.31Å; F543-Y554 HydrophobicContact CD2-CD2 4.14Å; F543-Y554 AromaticContact CE2-CD2 3.54Å; F543-Y554 HydrophobicContact CE2-CD2 3.54Å; F543-Y554 HydrophobicContact CE2-CE2 4.4Å; F543-Y554 HydrophobicContact CE2-CG 4.04Å; F543-Y554 AromaticContact CZ-CD2 3.91Å; F543-Y554 HydrophobicContact CZ-CD2 3.91Å; F543-Y554 AromaticContact CZ-CG 3.91Å; F543-Y554 HydrophobicContact CZ-CG 3.91Å; F543-Y554 PolarHBondContact N-O 2.61Å; F543-Y554 PolarHBondContact O-N 3.11Å; L545-Y554 HydrophobicContact CB-CE2 4.06Å; L545-Y554 HydrophobicContact CD1-CD2 4.31Å; L545-Y554 HydrophobicContact CD1-CE2 3.86Å; L545-Y554 HydrophobicContact CG-CD2 4.46Å; L545-Y554 HydrophobicContact CG-CE2 4.19Å; H547-Y554 AromaticContact NE2-CE2 3.67Å; H547-Y554 AromaticContact NE2-CZ 3.69Å; H547-Y554 PolarHBondContact NE2-OH 2.61Å; V552-Y554 HydrophobicContact CB-CE2 3.82Å; V552-Y554 HydrophobicContact CG1-CD1 4.31Å; V552-Y554 HydrophobicContact CG1-CD2 4.33Å; V552-Y554 HydrophobicContact CG1-CE1 3.72Å; V552-Y554 HydrophobicContact CG1-CE2 3.77Å; V552-Y554 VanDerWaalsContact CG1-CZ 3.44Å
555	N	89.3	Confident	81.5	Confident	36 Å²	36	31.8 Å²	31.8	19%	0.193	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	126	174.8	-177.3	-58.9	0	0	0	109.6	N432 E541 E542 N557 F559	N432-N555 PolarHBondContact O-N 2.66Å; E541-N555 WeakPolarHBondContact O-CA 3.29Å; E542-N555 HydrophobicContact CG-CB 4.27Å; N555-N557 VanDerWaalsContact C-N 3.29Å; N555-N557 PolarHBondContact O-N 3.19Å; N555-N557 WeakPolarHBondContact OD1-CB 3.38Å; N555-N557 VanDerWaalsContact OD1-CG 3.23Å; N555-N557 PolarHBondContact OD1-N 3.42Å; N555-N557 PolarHBondContact OD1-ND2 2.99Å; N555-F559 VanDerWaalsContact O-CD2 3.29Å; N555-F559 WeakPolarHBondContact O-CD2 3.44Å; N555-F559 WeakPolarHBondContact O-CE2 3.37Å
556	V	86.9	Confident	80.4	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.			trans	-74.6	-14.5	-175.2	-63.2	0	0	0	0	114.1	D507 F510 L511 E541 F543 G558 F559	D507-V556 HydrophobicContact CB-CB 4.26Å; D507-V556 HydrophobicContact CB-CG2 4.06Å; D507-V556 VanDerWaalsContact CB-O 3.31Å; D507-V556 WeakPolarHBondContact CB-O 3.27Å; F510-V556 HydrophobicContact CD1-CB 4.45Å; F510-V556 HydrophobicContact CD1-CG1 4.21Å; F510-V556 HydrophobicContact CE1-CG1 4.25Å; L511-V556 HydrophobicContact CB-CG1 4.22Å; L511-V556 HydrophobicContact CB-CG2 4.25Å; L511-V556 HydrophobicContact CD1-CG1 4Å; L511-V556 HydrophobicContact CD2-CG2 4.27Å; E541-V556 HydrophobicContact CB-CG2 4.36Å; E541-V556 WeakPolarHBondContact O-CG2 3.25Å; E541-V556 PolarHBondContact O-N 3.33Å; F543-V556 HydrophobicContact CD1-CG1 3.6Å; F543-V556 HydrophobicContact CE1-CG1 3.87Å; V556-G558 PolarHBondContact O-N 3.41Å; V556-F559 VanDerWaalsContact O-CB 3.25Å; V556-F559 WeakPolarHBondContact O-CB 3.34Å; V556-F559 WeakPolarHBondContact O-CD2 3.39Å; V556-F559 PolarHBondContact O-N 3.31Å
557	N	83.8	Confident	79.7	Confident	67 Å²	67	34.9 Å²	34.9	36%	0.358	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	126	-176.2	-62.8	-21.3	0	0	0	111.2	E541 N555 F559	E541-N557 PolarHBondContact OE2-ND2 2.97Å; E541-N557 PolarHBondContact OE2-OD1 3.1Å; N555-N557 VanDerWaalsContact C-N 3.29Å; N555-N557 PolarHBondContact O-N 3.19Å; N555-N557 WeakPolarHBondContact OD1-CB 3.38Å; N555-N557 VanDerWaalsContact OD1-CG 3.23Å; N555-N557 PolarHBondContact OD1-N 3.42Å; N555-N557 PolarHBondContact OD1-ND2 2.99Å; N557-F559 VanDerWaalsContact C-N 3.33Å
558	G	78.5	Confident	79.2	Confident	17 Å²	17	36.8 Å²	36.8	18%	0.175	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	11.8	-175.6	0	0	0	0	0	114.7	D507 V556 K562	D507-G558 PolarHBondContact OD2-N 3.33Å; V556-G558 PolarHBondContact O-N 3.41Å; G558-K562 VanDerWaalsContact O-CB 3.23Å; G558-K562 WeakPolarHBondContact O-CB 3.29Å; G558-K562 WeakPolarHBondContact O-CD 3.49Å; G558-K562 WeakPolarHBondContact O-CG 3.39Å; G558-K562 PolarHBondContact O-N 2.79Å
559	F	83.8	Confident	79.2	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64.3	-45.2	176.3	-98.6	-121.7	0	0	0	111.4	F434 F437 L495 D507 F510 F543 N555 V556 N557 K562 N563	F434-F559 HydrophobicContact CB-CD1 4.42Å; F434-F559 HydrophobicContact CB-CD2 4.08Å; F434-F559 HydrophobicContact CB-CE1 4.35Å; F434-F559 HydrophobicContact CB-CE2 3.99Å; F434-F559 HydrophobicContact CB-CG 4.29Å; F434-F559 HydrophobicContact CB-CZ 4.15Å; F434-F559 AromaticContact CD2-CD1 3.97Å; F434-F559 HydrophobicContact CD2-CD1 3.97Å; F434-F559 HydrophobicContact CD2-CE1 4.09Å; F434-F559 HydrophobicContact CD2-CG 4.46Å; F437-F559 HydrophobicContact CB-CE1 4.44Å; F437-F559 HydrophobicContact CB-CZ 4.23Å; F437-F559 HydrophobicContact CG-CE1 4.42Å; L495-F559 HydrophobicContact CD1-CB 4.17Å; L495-F559 HydrophobicContact CD1-CD1 4.44Å; L495-F559 HydrophobicContact CD2-CD1 4.43Å; D507-F559 PolarHBondContact OD1-N 3.17Å; D507-F559 VanDerWaalsContact OD1-N 3.16Å; F510-F559 HydrophobicContact CD1-CB 4.5Å; F510-F559 HydrophobicContact CE1-CB 4.39Å; F510-F559 AromaticContact CE1-CD1 3.88Å; F510-F559 HydrophobicContact CE1-CD1 3.88Å; F510-F559 HydrophobicContact CE1-CG 4.39Å; F510-F559 HydrophobicContact CZ-CD1 4.44Å; F543-F559 HydrophobicContact CE1-CE1 4.01Å; F543-F559 HydrophobicContact CE1-CZ 4.01Å; F543-F559 HydrophobicContact CZ-CE1 4.03Å; F543-F559 HydrophobicContact CZ-CZ 4.11Å; N555-F559 VanDerWaalsContact O-CD2 3.29Å; N555-F559 WeakPolarHBondContact O-CD2 3.44Å; N555-F559 WeakPolarHBondContact O-CE2 3.37Å; V556-F559 VanDerWaalsContact O-CB 3.25Å; V556-F559 WeakPolarHBondContact O-CB 3.34Å; V556-F559 WeakPolarHBondContact O-CD2 3.39Å; V556-F559 PolarHBondContact O-N 3.31Å; N557-F559 VanDerWaalsContact C-N 3.33Å; F559-K562 PolarHBondContact O-N 2.87Å; F559-N563 VanDerWaalsContact O-CB 3.3Å; F559-N563 WeakPolarHBondContact O-CB 3.45Å; F559-N563 PolarHBondContact O-N 2.92Å
560	L	79.8	Confident	79.6	Confident	9 Å²	9	39.9 Å²	39.9	5%	0.047	21%	0.207	C	C	.	.	H	α-helix	trans	-64.2	-45.6	179.8	-69.8	175.6	0	0	0	111.6	L495 E498 C499 A505 S506 D507 K562 N563 N564	L495-L560 HydrophobicContact CD1-CD2 3.93Å; E498-L560 HydrophobicContact CB-CD2 4.01Å; C499-L560 VanDerWaalsContact SG-CD2 3.52Å; A505-L560 HydrophobicContact CB-CD1 4.39Å; S506-L560 WeakPolarHBondContact O-CD1 3.41Å; D507-L560 PolarHBondContact OD1-N 3.33Å; L560-K562 PolarHBondContact O-N 3.36Å; L560-N563 PolarHBondContact O-N 2.92Å; L560-N564 WeakPolarHBondContact O-CB 3.46Å; L560-N564 PolarHBondContact O-N 3.2Å; L560-N564 PolarHBondContact O-ND2 3.46Å
561	D	73.3	Confident	79.9	Confident	119 Å²	119	38.8 Å²	38.8	64%	0.636	20%	0.196	S	C	*	.	H	α-helix	trans	-63.6	-41.9	179.8	-67.8	-27.1	0	0	0	112.3	N563	D561-N563 VanDerWaalsContact C-N 3.33Å
562	K	76.9	Confident	79.8	Confident	62 Å²	62	35 Å²	35	27%	0.27	18%	0.178	S	C	.	.	H	α-helix	trans	-68.2	-33.9	177.3	-72.1	174.5	-176.9	-167.4	0	112.1	S433 F434 E435 G558 F559 L560	S433-K562 PolarHBondContact OG-NZ 2.95Å; F434-K562 HydrophobicContact CB-CB 4.19Å; F434-K562 HydrophobicContact CB-CD 3.74Å; F434-K562 HydrophobicContact CD1-CB 3.83Å; F434-K562 HydrophobicContact CD1-CD 4.49Å; F434-K562 HydrophobicContact CE1-CB 4.46Å; F434-K562 HydrophobicContact CG-CB 4.09Å; F434-K562 HydrophobicContact CG-CD 4.47Å; E435-K562 WeakPolarHBondContact OE1-CE 3.45Å; E435-K562 IonicContact OE1-NZ 3.07Å; E435-K562 PolarHBondContact OE1-NZ 2.99Å; E435-K562 IonicContact OE2-NZ 3.96Å; E435-K562 PolarHBondContact OE2-NZ 3.44Å; G558-K562 VanDerWaalsContact O-CB 3.23Å; G558-K562 WeakPolarHBondContact O-CB 3.29Å; G558-K562 WeakPolarHBondContact O-CD 3.49Å; G558-K562 WeakPolarHBondContact O-CG 3.39Å; G558-K562 PolarHBondContact O-N 2.79Å; F559-K562 PolarHBondContact O-N 2.87Å; L560-K562 PolarHBondContact O-N 3.36Å
563	N	78.9	Confident	79.6	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-76.7	-35.8	178.8	-167.7	45	0	0	0	112.9	F434 L495 D496 C499 F559 L560 D561 D565 T600 A601 A602	F434-N563 HydrophobicContact CE2-CB 4.32Å; F434-N563 HydrophobicContact CZ-CB 4.41Å; L495-N563 HydrophobicContact CD2-CB 3.8Å; L495-N563 HydrophobicContact CG-CB 4.09Å; L495-N563 WeakPolarHBondContact CG-ND2 3.25Å; D496-N563 PolarHBondContact OD1-ND2 3.22Å; C499-N563 PolarHBondContact SG-ND2 3.18Å; C499-N563 VanDerWaalsContact SG-ND2 3.45Å; F559-N563 VanDerWaalsContact O-CB 3.3Å; F559-N563 WeakPolarHBondContact O-CB 3.45Å; F559-N563 PolarHBondContact O-N 2.92Å; L560-N563 PolarHBondContact O-N 2.92Å; D561-N563 VanDerWaalsContact C-N 3.33Å; N563-D565 VanDerWaalsContact C-N 3.31Å; N563-D565 PolarHBondContact O-N 3Å; N563-T600 WeakPolarHBondContact ND2-CB 3.1Å; N563-A601 PolarHBondContact O-N 3.46Å; N563-A602 WeakPolarHBondContact OD1-CB 3.29Å; N563-A602 PolarHBondContact OD1-N 2.97Å
564	N	70.3	Confident	79.5	Confident	55 Å²	55	35.9 Å²	35.9	29%	0.294	18%	0.181	S	C	.	.	H	α-helix	trans	-65.2	-31.3	-177.4	-88	-37.1	0	0	0	113.1	C499 L560 L566	C499-N564 VanDerWaalsContact CB-OD1 3.28Å; C499-N564 WeakPolarHBondContact CB-OD1 3.34Å; C499-N564 PolarHBondContact SG-OD1 3.22Å; L560-N564 WeakPolarHBondContact O-CB 3.46Å; L560-N564 PolarHBondContact O-N 3.2Å; L560-N564 PolarHBondContact O-ND2 3.46Å; N564-L566 HydrophobicContact CB-CB 4.49Å; N564-L566 WeakPolarHBondContact O-CA 3.42Å; N564-L566 PolarHBondContact O-N 2.84Å
565	D	65.6	Low	79.4	Confident	42 Å²	42	35.9 Å²	35.9	23%	0.225	18%	0.181	C	C	.	.			trans	33.5	38.9	-179.2	-156.8	30.4	0	0	0	113.7	K229 N563 L567 A601	K229-D565 IonicContact NZ-OD2 2.85Å; K229-D565 PolarHBondContact NZ-OD2 2.83Å; N563-D565 VanDerWaalsContact C-N 3.31Å; N563-D565 PolarHBondContact O-N 3Å; D565-L567 PolarHBondContact O-N 3.49Å; D565-A601 HydrophobicContact CB-CB 4.37Å
566	L	65.8	Low	79.2	Confident	90 Å²	90	34.6 Å²	34.6	47%	0.471	18%	0.175	S	C	.	.			trans	-87.3	104.8	-160.1	-156.1	107.5	0	0	0	109.7	N564 F568	N564-L566 HydrophobicContact CB-CB 4.49Å; N564-L566 WeakPolarHBondContact O-CA 3.42Å; N564-L566 PolarHBondContact O-N 2.84Å; L566-F568 HydrophobicContact CD2-CD1 4.2Å; L566-F568 HydrophobicContact CD2-CE1 4.27Å
567	L	73.8	Confident	79.2	Confident	22 Å²	22	40 Å²	40	12%	0.115	20%	0.203	C	C	.	.			trans	-84.1	120.3	169.9	-173.9	66.1	0	0	0	109.5	L385 A388 D565 L571 K572 F587	L385-L567 HydrophobicContact CB-CD1 4.26Å; L385-L567 HydrophobicContact CD1-CD1 4.19Å; A388-L567 HydrophobicContact CB-CD1 4.32Å; A388-L567 HydrophobicContact CB-CD2 3.82Å; D565-L567 PolarHBondContact O-N 3.49Å; L567-L571 HydrophobicContact CD1-CB 3.84Å; L567-L571 HydrophobicContact CD1-CD1 3.8Å; L567-L571 HydrophobicContact CD1-CG 4.5Å; L567-L571 HydrophobicContact CG-CB 4.24Å; L567-K572 HydrophobicContact CD2-CD 4.41Å; L567-K572 HydrophobicContact CD2-CG 3.48Å; L567-K572 VanDerWaalsContact CD2-CG 3.48Å; L567-K572 HydrophobicContact CG-CG 3.92Å; L567-F587 HydrophobicContact CD2-CE1 3.89Å
568	F	74.9	Confident	79.5	Confident	49 Å²	49	37.1 Å²	37.1	22%	0.215	19%	0.188	C	C	.	.			trans	-58.8	146.6	177.8	-60	-38.2	0	0	0	111.9	K360 L373 A381 L566 N570 L571 K572	K360-F568 HydrophobicContact CB-CD2 4.38Å; K360-F568 HydrophobicContact CB-CE2 4.48Å; L373-F568 HydrophobicContact CD1-CD2 4.38Å; L373-F568 HydrophobicContact CD1-CE2 3.85Å; L373-F568 HydrophobicContact CD2-CE2 4.16Å; L373-F568 HydrophobicContact CD2-CZ 4.49Å; A381-F568 HydrophobicContact CB-CD2 3.91Å; A381-F568 HydrophobicContact CB-CE2 3.64Å; L566-F568 HydrophobicContact CD2-CD1 4.2Å; L566-F568 HydrophobicContact CD2-CE1 4.27Å; F568-N570 WeakPolarHBondContact CB-OD1 3.48Å; F568-N570 PolarHBondContact O-N 2.78Å; F568-L571 HydrophobicContact CB-CD1 4.24Å; F568-L571 HydrophobicContact CB-CG 4.43Å; F568-L571 HydrophobicContact CD2-CD1 4.25Å; F568-L571 WeakPolarHBondContact O-CB 3.42Å; F568-L571 PolarHBondContact O-N 3.26Å; F568-K572 PolarHBondContact O-N 2.68Å
569	R	77.8	Confident	79.9	Confident	84 Å²	84	44.5 Å²	44.5	32%	0.317	22%	0.218	S	C	.	.	H	α-helix	trans	-61.5	-41.7	-175	-176.8	-177.4	172.2	118.3	2.1	112.5	L571 K572 E573 L592	R569-L571 VanDerWaalsContact C-N 3.34Å; R569-L571 PolarHBondContact O-N 3.48Å; R569-K572 WeakPolarHBondContact O-CB 3.32Å; R569-K572 PolarHBondContact O-N 2.95Å; R569-K572 VanDerWaalsContact O-N 3.14Å; R569-E573 IonicContact CZ-OE1 3.42Å; R569-E573 IonicContact NE-OE1 3.79Å; R569-E573 PolarHBondContact NE-OE1 3.14Å; R569-E573 IonicContact NH2-OE1 2.9Å; R569-E573 WeakPolarHBondContact O-CG 3.39Å; R569-E573 PolarHBondContact O-N 3.2Å; R569-L592 HydrophobicContact CG-CD2 4.34Å; R569-L592 VanDerWaalsContact CZ-O 3.29Å; R569-L592 PolarHBondContact NH1-O 3.37Å; R569-L592 VanDerWaalsContact NH1-O 3.12Å; R569-L592 PolarHBondContact NH2-O 3Å
570	N	80.9	Confident	80.1	Confident	16 Å²	16	45 Å²	45	9%	0.086	22%	0.22	C	C	.	.	H	α-helix	trans	-59.9	-41.9	176.3	58.8	-27.7	0	0	0	112.1	A356 H359 K361 F568 K572 E573 V574	A356-N570 WeakPolarHBondContact CA-ND2 3.28Å; A356-N570 HydrophobicContact CB-CB 4.46Å; A356-N570 PolarHBondContact O-ND2 2.81Å; A356-N570 VanDerWaalsContact O-ND2 3.16Å; H359-N570 PolarHBondContact O-ND2 2.81Å; K361-N570 HydrophobicContact CB-CB 4.11Å; F568-N570 WeakPolarHBondContact CB-OD1 3.48Å; F568-N570 PolarHBondContact O-N 2.78Å; N570-K572 VanDerWaalsContact C-N 3.3Å; N570-K572 PolarHBondContact O-N 3.17Å; N570-E573 PolarHBondContact O-N 2.75Å; N570-V574 WeakPolarHBondContact O-CG2 3.46Å; N570-V574 PolarHBondContact O-N 3.13Å
571	L	84.8	Confident	80.5	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.6	-39.3	174.8	-72.4	173.8	0	0	0	112	A356 L357 A381 L385 L567 F568 R569 M575	A356-L571 HydrophobicContact CB-CD2 3.96Å; A356-L571 WeakPolarHBondContact O-CD2 3.44Å; L357-L571 HydrophobicContact CD2-CD2 4.02Å; L357-L571 HydrophobicContact CG-CD2 4.39Å; A381-L571 HydrophobicContact CB-CD1 4.19Å; L385-L571 HydrophobicContact CB-CD1 4.33Å; L385-L571 HydrophobicContact CD1-CB 4.42Å; L385-L571 HydrophobicContact CD2-CD2 4.03Å; L567-L571 HydrophobicContact CD1-CB 3.84Å; L567-L571 HydrophobicContact CD1-CD1 3.8Å; L567-L571 HydrophobicContact CD1-CG 4.5Å; L567-L571 HydrophobicContact CG-CB 4.24Å; F568-L571 HydrophobicContact CB-CD1 4.24Å; F568-L571 HydrophobicContact CB-CG 4.43Å; F568-L571 HydrophobicContact CD2-CD1 4.25Å; F568-L571 WeakPolarHBondContact O-CB 3.42Å; F568-L571 PolarHBondContact O-N 3.26Å; R569-L571 VanDerWaalsContact C-N 3.34Å; R569-L571 PolarHBondContact O-N 3.48Å; L571-M575 WeakPolarHBondContact O-CG 3.25Å; L571-M575 PolarHBondContact O-N 3.4Å
572	K	83.1	Confident	81.3	Confident	33 Å²	33	44.9 Å²	44.9	14%	0.143	21%	0.214	C	C	.	.	H	α-helix	trans	-63.8	-46.7	172.9	-66.5	-175.8	178.2	-163.4	0	111.8	L567 F568 R569 N570 V574 M575 C576 E591 L592	L567-K572 HydrophobicContact CD2-CD 4.41Å; L567-K572 HydrophobicContact CD2-CG 3.48Å; L567-K572 VanDerWaalsContact CD2-CG 3.48Å; L567-K572 HydrophobicContact CG-CG 3.92Å; F568-K572 PolarHBondContact O-N 2.68Å; R569-K572 WeakPolarHBondContact O-CB 3.32Å; R569-K572 PolarHBondContact O-N 2.95Å; R569-K572 VanDerWaalsContact O-N 3.14Å; N570-K572 VanDerWaalsContact C-N 3.3Å; N570-K572 PolarHBondContact O-N 3.17Å; K572-V574 VanDerWaalsContact C-N 3.28Å; K572-V574 PolarHBondContact O-N 3.02Å; K572-M575 PolarHBondContact O-N 3.09Å; K572-M575 VanDerWaalsContact O-N 3.11Å; K572-C576 PolarHBondContact O-N 3.23Å; K572-C576 PolarHBondContact O-SG 3.36Å; K572-E591 IonicContact NZ-OE2 3.36Å; K572-E591 PolarHBondContact NZ-OE2 3.17Å; K572-L592 HydrophobicContact CB-CD2 4.08Å
573	E	83.8	Confident	81.8	Confident	47 Å²	47	42 Å²	42	22%	0.22	20%	0.201	C	C	.	.	H	α-helix	trans	-55.9	-42.9	179	-72.3	172.1	-174.4	0	0	111.2	K361 R569 N570 C576 L577 L592	K361-E573 IonicContact NZ-OE1 3.79Å; K361-E573 IonicContact NZ-OE2 2.72Å; R569-E573 IonicContact CZ-OE1 3.42Å; R569-E573 IonicContact NE-OE1 3.79Å; R569-E573 PolarHBondContact NE-OE1 3.14Å; R569-E573 IonicContact NH2-OE1 2.9Å; R569-E573 WeakPolarHBondContact O-CG 3.39Å; R569-E573 PolarHBondContact O-N 3.2Å; N570-E573 PolarHBondContact O-N 2.75Å; E573-C576 PolarHBondContact O-N 3.06Å; E573-L577 WeakPolarHBondContact O-CG 3.47Å; E573-L577 PolarHBondContact O-N 3.1Å; E573-L592 HydrophobicContact CG-CD1 4.02Å; E573-L592 HydrophobicContact CG-CD2 3.63Å; E573-L592 HydrophobicContact CG-CG 4.46Å
574	V	87	Confident	82.1	Confident	6 Å²	6	44.7 Å²	44.7	4%	0.036	22%	0.218	C	C	.	.	H	α-helix	trans	-63.8	-43.4	175.9	-179.2	0	0	0	0	112.1	V348 V352 L353 A356 N570 K572 C576 L577	V348-V574 HydrophobicContact CB-CG1 4.06Å; V348-V574 HydrophobicContact CG1-CG1 4.07Å; V348-V574 WeakPolarHBondContact CG1-O 3.26Å; V348-V574 HydrophobicContact CG2-CG1 4.26Å; V352-V574 HydrophobicContact CG1-CG2 3.72Å; L353-V574 HydrophobicContact CB-CG1 4.42Å; L353-V574 HydrophobicContact CD1-CG1 4.15Å; A356-V574 HydrophobicContact CB-CG2 3.6Å; N570-V574 WeakPolarHBondContact O-CG2 3.46Å; N570-V574 PolarHBondContact O-N 3.13Å; K572-V574 VanDerWaalsContact C-N 3.28Å; K572-V574 PolarHBondContact O-N 3.02Å; V574-C576 VanDerWaalsContact C-N 3.3Å; V574-C576 PolarHBondContact O-N 3.11Å; V574-L577 PolarHBondContact O-N 2.96Å; V574-L577 VanDerWaalsContact O-N 3.13Å
575	M	88.9	Confident	82.8	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-65.7	-33	178.4	-63.6	-57.1	113.8	0	0	112.2	L346 L353 L385 V389 L571 K572 L577 S578 F587	L346-M575 HydrophobicContact CD1-CE 4.19Å; L346-M575 HydrophobicContact CD1-SD 4.49Å; L353-M575 HydrophobicContact CD1-CE 4.08Å; L385-M575 HydrophobicContact CD1-CE 4.03Å; L385-M575 HydrophobicContact CD1-CG 3.9Å; L385-M575 HydrophobicContact CD1-SD 4.07Å; L385-M575 HydrophobicContact CD2-CE 4.09Å; V389-M575 HydrophobicContact CG2-SD 4.14Å; L571-M575 WeakPolarHBondContact O-CG 3.25Å; L571-M575 PolarHBondContact O-N 3.4Å; K572-M575 PolarHBondContact O-N 3.09Å; K572-M575 VanDerWaalsContact O-N 3.11Å; M575-L577 PolarHBondContact O-N 3.31Å; M575-S578 WeakPolarHBondContact O-CB 3.44Å; M575-S578 PolarHBondContact O-N 2.67Å; M575-F587 HydrophobicContact CB-CB 4.22Å; M575-F587 HydrophobicContact CB-CD1 3.92Å; M575-F587 HydrophobicContact CB-CD2 3.7Å; M575-F587 HydrophobicContact CB-CE1 4.14Å; M575-F587 HydrophobicContact CB-CE2 3.94Å; M575-F587 HydrophobicContact CB-CG 3.69Å; M575-F587 HydrophobicContact CB-CZ 4.14Å; M575-F587 HydrophobicContact CG-CD1 4.47Å; M575-F587 HydrophobicContact CG-CD2 4.34Å; M575-F587 HydrophobicContact CG-CE1 4.18Å; M575-F587 HydrophobicContact CG-CE2 4.06Å; M575-F587 HydrophobicContact CG-CZ 3.96Å
576	C	85.5	Confident	83.8	Confident	9 Å²	9	46.9 Å²	46.9	6%	0.061	23%	0.227	C	C	.	.	H	α-helix	trans	-69.2	-15.8	174.7	-63.2	0	0	0	0	114	K572 E573 V574 F587 R589 L592	K572-C576 PolarHBondContact O-N 3.23Å; K572-C576 PolarHBondContact O-SG 3.36Å; E573-C576 PolarHBondContact O-N 3.06Å; V574-C576 VanDerWaalsContact C-N 3.3Å; V574-C576 PolarHBondContact O-N 3.11Å; C576-F587 PolarHBondContact SG-O 3.01Å; C576-F587 VanDerWaalsContact SG-O 3.38Å; C576-R589 HydrophobicContact CB-CG 4.33Å; C576-L592 HydrophobicContact CB-CD1 4.43Å
577	L	86.6	Confident	84.7	Confident	113 Å²	113	42.8 Å²	42.8	59%	0.592	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.6	1.9	176.2	-66.5	172.3	0	0	0	113	E573 V574 M575	E573-L577 WeakPolarHBondContact O-CG 3.47Å; E573-L577 PolarHBondContact O-N 3.1Å; V574-L577 PolarHBondContact O-N 2.96Å; V574-L577 VanDerWaalsContact O-N 3.13Å; M575-L577 PolarHBondContact O-N 3.31Å
578	S	89.3	Confident	84.8	Confident	7 Å²	7	46 Å²	46	5%	0.049	22%	0.222	C	C	.	.			trans	-60.6	141.4	178.3	175.2	0	0	0	0	112.5	L346 G347 M575 N580 T584	L346-S578 WeakPolarHBondContact O-CB 3.17Å; L346-S578 PolarHBondContact O-OG 3.04Å; G347-S578 CarbonylContact O-C 3.57Å; G347-S578 WeakPolarHBondContact O-CA 3.21Å; M575-S578 WeakPolarHBondContact O-CB 3.44Å; M575-S578 PolarHBondContact O-N 2.67Å; S578-N580 VanDerWaalsContact C-N 3.29Å; S578-N580 WeakPolarHBondContact OG-CB 3.32Å; S578-N580 PolarHBondContact OG-N 2.84Å; S578-T584 WeakPolarHBondContact O-CG2 3.34Å
579	E	88.1	Confident	84.8	Confident	171 Å²	171	51.5 Å²	51.5	80%	0.799	24%	0.242	S	C	*	.	S	Bend	trans	-78	-13.2	169.3	-65.7	179.4	179.7	0	0	112.9	G347 K581	G347-E579 PolarHBondContact O-N 2.83Å; E579-K581 PolarHBondContact O-N 3.31Å
580	N	88	Confident	84.4	Confident	10 Å²	10	52.9 Å²	52.9	5%	0.053	26%	0.255	C	S	.	.			trans	-76.4	120.7	179.5	-176.2	-50.9	0	0	0	110.4	E308 S578 I582 L583 T584	E308-N580 PolarHBondContact O-ND2 3.25Å; S578-N580 VanDerWaalsContact C-N 3.29Å; S578-N580 WeakPolarHBondContact OG-CB 3.32Å; S578-N580 PolarHBondContact OG-N 2.84Å; N580-I582 VanDerWaalsContact C-N 3.29Å; N580-I582 PolarHBondContact O-N 3.4Å; N580-I582 WeakPolarHBondContact OD1-CB 3.39Å; N580-I582 PolarHBondContact OD1-N 2.87Å; N580-L583 HydrophobicContact CB-CB 4.26Å; N580-L583 HydrophobicContact CB-CD1 4.05Å; N580-L583 HydrophobicContact CB-CG 4.32Å; N580-L583 PolarHBondContact O-N 2.87Å; N580-L583 VanDerWaalsContact O-N 3.14Å; N580-L583 PolarHBondContact OD1-N 3.13Å; N580-T584 PolarHBondContact O-N 3.16Å; N580-T584 VanDerWaalsContact O-N 3.09Å
581	K	88.3	Confident	83.7	Confident	125 Å²	125	55.7 Å²	55.7	54%	0.543	27%	0.268	S	S	.	.	H	α-helix	trans	-63.9	-35.1	-173.6	-59.5	171.1	-173.4	153	0	112.1	E308 E579 T584 Q585	E308-K581 IonicContact OE1-NZ 3.96Å; E308-K581 WeakPolarHBondContact OE2-CB 3.26Å; E579-K581 PolarHBondContact O-N 3.31Å; K581-T584 WeakPolarHBondContact CA-OG1 3.41Å; K581-T584 PolarHBondContact O-OG1 2.95Å; K581-Q585 WeakPolarHBondContact O-CG 3.47Å; K581-Q585 PolarHBondContact O-N 3.44Å
582	I	89.8	Confident	82.9	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-65.7	-43.4	177	-60	174.4	0	0	0	110.4	E308 L309 I312 W396 N580 Q585 C586	E308-I582 HydrophobicContact CB-CD1 3.73Å; E308-I582 HydrophobicContact CB-CG1 4.24Å; L309-I582 HydrophobicContact CB-CD1 3.99Å; I312-I582 HydrophobicContact CD1-CB 3.73Å; I312-I582 HydrophobicContact CD1-CG2 3.6Å; W396-I582 HydrophobicContact CD2-CG2 3.63Å; W396-I582 HydrophobicContact CE3-CD1 4.42Å; W396-I582 HydrophobicContact CE3-CG2 3.73Å; W396-I582 HydrophobicContact CG-CG2 4.05Å; W396-I582 HydrophobicContact CH2-CD1 3.52Å; W396-I582 HydrophobicContact CH2-CG1 3.71Å; W396-I582 HydrophobicContact CH2-CG2 4.4Å; W396-I582 HydrophobicContact CZ2-CB 4.49Å; W396-I582 HydrophobicContact CZ2-CD1 4.05Å; W396-I582 HydrophobicContact CZ2-CG1 3.67Å; W396-I582 HydrophobicContact CZ2-CG2 4.31Å; W396-I582 HydrophobicContact CZ3-CD1 3.72Å; W396-I582 HydrophobicContact CZ3-CG1 4.16Å; W396-I582 HydrophobicContact CZ3-CG2 4.12Å; N580-I582 VanDerWaalsContact C-N 3.29Å; N580-I582 PolarHBondContact O-N 3.4Å; N580-I582 WeakPolarHBondContact OD1-CB 3.39Å; N580-I582 PolarHBondContact OD1-N 2.87Å; I582-Q585 PolarHBondContact O-N 3.06Å; I582-C586 WeakPolarHBondContact O-CB 3.29Å; I582-C586 PolarHBondContact O-N 3.47Å; I582-C586 PolarHBondContact O-SG 3.2Å
583	L	86.3	Confident	81.8	Confident	0 Å²	0	60 Å²	60	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-66	-41.6	179.5	-75	170.5	0	0	0	112.3	I312 L346 V389 N580 Q585 C586 F587	I312-L583 HydrophobicContact CD1-CD1 4.48Å; I312-L583 HydrophobicContact CD1-CD2 4.1Å; I312-L583 HydrophobicContact CD1-CG 3.79Å; I312-L583 HydrophobicContact CG1-CD1 4.07Å; I312-L583 HydrophobicContact CG1-CD2 4.2Å; I312-L583 HydrophobicContact CG1-CG 3.9Å; I312-L583 HydrophobicContact CG2-CD2 4.36Å; L346-L583 HydrophobicContact CB-CD1 4.34Å; L346-L583 HydrophobicContact CD2-CD1 3.54Å; V389-L583 HydrophobicContact CG1-CD2 4.14Å; N580-L583 HydrophobicContact CB-CB 4.26Å; N580-L583 HydrophobicContact CB-CD1 4.05Å; N580-L583 HydrophobicContact CB-CG 4.32Å; N580-L583 PolarHBondContact O-N 2.87Å; N580-L583 VanDerWaalsContact O-N 3.14Å; N580-L583 PolarHBondContact OD1-N 3.13Å; L583-Q585 PolarHBondContact O-N 3.04Å; L583-C586 WeakPolarHBondContact O-CB 3.4Å; L583-C586 PolarHBondContact O-N 3.35Å; L583-F587 HydrophobicContact CD2-CD2 4.28Å; L583-F587 HydrophobicContact CD2-CE2 3.95Å; L583-F587 WeakPolarHBondContact O-CD2 3.28Å; L583-F587 PolarHBondContact O-N 3.4Å
584	T	85.9	Confident	80.6	Confident	58 Å²	58	62.5 Å²	62.5	36%	0.356	32%	0.315	S	S	.	.	H	α-helix	trans	-62.3	-31.2	175.8	58.9	0	0	0	0	113	S578 N580 K581	S578-T584 WeakPolarHBondContact O-CG2 3.34Å; N580-T584 PolarHBondContact O-N 3.16Å; N580-T584 VanDerWaalsContact O-N 3.09Å; K581-T584 WeakPolarHBondContact CA-OG1 3.41Å; K581-T584 PolarHBondContact O-OG1 2.95Å
585	Q	85.7	Confident	79.1	Confident	127 Å²	127	72 Å²	72	59%	0.593	36%	0.356	S	S	*	.	H	α-helix	trans	-76.5	-30.2	172.3	-69	173.9	21.5	0	0	112.8	K581 I582 L583	K581-Q585 WeakPolarHBondContact O-CG 3.47Å; K581-Q585 PolarHBondContact O-N 3.44Å; I582-Q585 PolarHBondContact O-N 3.06Å; L583-Q585 PolarHBondContact O-N 3.04Å
586	C	85.8	Confident	77.6	Confident	16 Å²	16	80.3 Å²	80.3	11%	0.108	39%	0.391	C	S	.	.	H	α-helix	trans	-75.7	-31.3	177.7	-71.8	0	0	0	0	112.8	R392 W396 I582 L583	R392-C586 HydrophobicContact CB-CB 3.94Å; R392-C586 WeakPolarHBondContact CD-O 3.23Å; R392-C586 PolarHBondContact NH1-O 3.24Å; W396-C586 VanDerWaalsContact CB-SG 3.58Å; I582-C586 WeakPolarHBondContact O-CB 3.29Å; I582-C586 PolarHBondContact O-N 3.47Å; I582-C586 PolarHBondContact O-SG 3.2Å; L583-C586 WeakPolarHBondContact O-CB 3.4Å; L583-C586 PolarHBondContact O-N 3.35Å
587	F	84.4	Confident	76.3	Confident	3 Å²	3	88.8 Å²	88.8	1%	0.013	42%	0.422	C	S	.	.	S	Bend	trans	-118.1	91.9	-177.3	-68.1	-90.5	0	0	0	110	V389 L567 M575 C576 L583	V389-F587 HydrophobicContact CG2-CE2 4.24Å; V389-F587 HydrophobicContact CG2-CZ 4.06Å; L567-F587 HydrophobicContact CD2-CE1 3.89Å; M575-F587 HydrophobicContact CB-CB 4.22Å; M575-F587 HydrophobicContact CB-CD1 3.92Å; M575-F587 HydrophobicContact CB-CD2 3.7Å; M575-F587 HydrophobicContact CB-CE1 4.14Å; M575-F587 HydrophobicContact CB-CE2 3.94Å; M575-F587 HydrophobicContact CB-CG 3.69Å; M575-F587 HydrophobicContact CB-CZ 4.14Å; M575-F587 HydrophobicContact CG-CD1 4.47Å; M575-F587 HydrophobicContact CG-CD2 4.34Å; M575-F587 HydrophobicContact CG-CE1 4.18Å; M575-F587 HydrophobicContact CG-CE2 4.06Å; M575-F587 HydrophobicContact CG-CZ 3.96Å; C576-F587 PolarHBondContact SG-O 3.01Å; C576-F587 VanDerWaalsContact SG-O 3.38Å; L583-F587 HydrophobicContact CD2-CD2 4.28Å; L583-F587 HydrophobicContact CD2-CE2 3.95Å; L583-F587 WeakPolarHBondContact O-CD2 3.28Å; L583-F587 PolarHBondContact O-N 3.4Å
588	D	76.6	Confident	75.1	Confident	89 Å²	89	87.2 Å²	87.2	48%	0.476	42%	0.419	S	S	.	.			trans	-75.3	142.6	-178.1	-152.4	-19.5	0	0	0	111.8	D590 E591	D588-D590 PolarHBondContact O-N 2.9Å; D588-E591 PolarHBondContact O-N 3.3Å
589	R	73.6	Confident	74	Confident	166 Å²	166	92 Å²	92	63%	0.626	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-69.6	-26.5	179.1	-71.5	-174.3	176.8	-169.6	-0.7	111.9	C576 E591 L592	C576-R589 HydrophobicContact CB-CG 4.33Å; R589-E591 PolarHBondContact O-N 2.78Å; R589-L592 WeakPolarHBondContact O-CB 3.32Å; R589-L592 PolarHBondContact O-N 3.46Å
590	D	70.1	Confident	73.5	Confident	112 Å²	112	84.7 Å²	84.7	60%	0.599	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-63.7	-29.4	179.3	-70.6	-15	0	0	0	112.2	D588 L592 S593	D588-D590 PolarHBondContact O-N 2.9Å; D590-L592 PolarHBondContact O-N 2.77Å; D590-L592 VanDerWaalsContact O-N 3.16Å; D590-S593 WeakPolarHBondContact O-CB 3.25Å; D590-S593 PolarHBondContact O-N 3.46Å; D590-S593 PolarHBondContact O-OG 2.77Å
591	E	66.6	Low	73	Confident	76 Å²	76	85.2 Å²	85.2	36%	0.355	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-61.3	-22.4	173.8	-71.8	-170.9	-150.5	0	0	113.3	R392 K572 D588 R589 S593	R392-E591 IonicContact CZ-OE1 3.9Å; R392-E591 IonicContact CZ-OE2 3.15Å; R392-E591 IonicContact NH1-OE1 3.87Å; R392-E591 PolarHBondContact NH1-OE1 3.09Å; R392-E591 IonicContact NH1-OE2 3.41Å; R392-E591 PolarHBondContact NH1-OE2 3.47Å; R392-E591 IonicContact NH2-OE1 3.67Å; R392-E591 PolarHBondContact NH2-OE1 2.74Å; R392-E591 IonicContact NH2-OE2 3.62Å; R392-E591 PolarHBondContact NH2-OE2 2.69Å; K572-E591 IonicContact NZ-OE2 3.36Å; K572-E591 PolarHBondContact NZ-OE2 3.17Å; D588-E591 PolarHBondContact O-N 3.3Å; R589-E591 PolarHBondContact O-N 2.78Å; E591-S593 VanDerWaalsContact C-N 3.33Å
592	L	66.8	Low	72.7	Confident	33 Å²	33	79.2 Å²	79.2	17%	0.173	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-80	-19.6	179	-61.1	169.6	0	0	0	112.2	R569 K572 E573 C576 R589 D590	R569-L592 HydrophobicContact CG-CD2 4.34Å; R569-L592 VanDerWaalsContact CZ-O 3.29Å; R569-L592 PolarHBondContact NH1-O 3.37Å; R569-L592 VanDerWaalsContact NH1-O 3.12Å; R569-L592 PolarHBondContact NH2-O 3Å; K572-L592 HydrophobicContact CB-CD2 4.08Å; E573-L592 HydrophobicContact CG-CD1 4.02Å; E573-L592 HydrophobicContact CG-CD2 3.63Å; E573-L592 HydrophobicContact CG-CG 4.46Å; C576-L592 HydrophobicContact CB-CD1 4.43Å; R589-L592 WeakPolarHBondContact O-CB 3.32Å; R589-L592 PolarHBondContact O-N 3.46Å; D590-L592 PolarHBondContact O-N 2.77Å; D590-L592 VanDerWaalsContact O-N 3.16Å
593	S	59.9	Low	72.4	Confident	90 Å²	90	81.1 Å²	81.1	63%	0.629	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-26.2	179.7	76.1	0	0	0	0	113	D590 E591 K595	D590-S593 WeakPolarHBondContact O-CB 3.25Å; D590-S593 PolarHBondContact O-N 3.46Å; D590-S593 PolarHBondContact O-OG 2.77Å; E591-S593 VanDerWaalsContact C-N 3.33Å; S593-K595 PolarHBondContact O-N 2.96Å
594	D	58.9	Low	72.2	Confident	100 Å²	100	84.9 Å²	84.9	54%	0.535	42%	0.42	S	S	.	.			trans	-74.1	118.1	-177.4	-153.1	-15.7	0	0	0	110.7	K596	D594-K596 VanDerWaalsContact C-N 3.28Å; D594-K596 PolarHBondContact OD1-N 3.1Å
595	K	55.4	Low	72	Confident	206 Å²	206	82.5 Å²	82.5	90%	0.896	40%	0.404	S	S	*	.			trans	-82.9	-6.7	179.8	-65.9	-176.4	-178.4	179.2	0	112.3	S593	S593-K595 PolarHBondContact O-N 2.96Å
596	K	57.3	Low	72.1	Confident	173 Å²	173	78.7 Å²	78.7	75%	0.752	39%	0.386	S	S	*	.	S	Bend	trans	-68.4	131.8	172.2	-88.2	-178.1	173.1	179.9	0	109.9	D594	D594-K596 VanDerWaalsContact C-N 3.28Å; D594-K596 PolarHBondContact OD1-N 3.1Å
597	R	57.8	Low	72.1	Confident	188 Å²	188	80.7 Å²	80.7	71%	0.709	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-62.5	140.9	169.1	-81.5	-176.2	176.7	-178.8	-1.7	109
598	P	61.4	Low	72.1	Confident	79 Å²	79	83 Å²	83	51%	0.513	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-60.9	141.9	176.6	24.4	-31.4	0	0	0	110.4
599	D	67.9	Low	72.4	Confident	107 Å²	107	79 Å²	79	57%	0.572	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-59.2	145.7	174	-66.7	-32.6	0	0	0	110.3	T603 Q604	D599-T603 HydrophobicContact CB-CG2 4.26Å; D599-Q604 HydrophobicContact CB-CG 3.69Å; D599-Q604 PolarHBondContact O-NE2 3.27Å
600	T	77.3	Confident	73.1	Confident	18 Å²	18	73.4 Å²	73.4	11%	0.11	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-66.3	159.3	176.1	61	0	0	0	0	111.6	D496 N563 A602 T603 Q604	D496-T600 HydrophobicContact CB-CG2 4.45Å; D496-T600 VanDerWaalsContact OD1-CB 3.23Å; D496-T600 WeakPolarHBondContact OD1-CB 3.38Å; D496-T600 VanDerWaalsContact OD1-CG2 3.31Å; D496-T600 WeakPolarHBondContact OD1-CG2 3.32Å; D496-T600 PolarHBondContact OD1-OG1 3.22Å; D496-T600 PolarHBondContact OD2-OG1 2.83Å; D496-T600 VanDerWaalsContact OD2-OG1 3.11Å; N563-T600 WeakPolarHBondContact ND2-CB 3.1Å; T600-A602 VanDerWaalsContact C-N 3.29Å; T600-A602 PolarHBondContact O-N 2.88Å; T600-T603 PolarHBondContact O-N 2.95Å; T600-T603 WeakPolarHBondContact OG1-CB 3.43Å; T600-T603 PolarHBondContact OG1-N 3.14Å; T600-Q604 WeakPolarHBondContact O-CG 3.41Å; T600-Q604 PolarHBondContact O-N 3.06Å
601	A	78	Confident	73.8	Confident	21 Å²	21	74.5 Å²	74.5	17%	0.174	39%	0.387	C	S	.	.	H	α-helix	trans	-58.1	-40.6	-179	0	0	0	0	0	112.3	F434 N563 D565 F605	F434-A601 HydrophobicContact CE1-CB 4.31Å; F434-A601 HydrophobicContact CZ-CB 4.31Å; N563-A601 PolarHBondContact O-N 3.46Å; D565-A601 HydrophobicContact CB-CB 4.37Å; A601-F605 VanDerWaalsContact O-CB 3.29Å; A601-F605 WeakPolarHBondContact O-CB 3.35Å; A601-F605 PolarHBondContact O-N 3.25Å
602	A	82.1	Confident	74.8	Confident	0 Å²	0	71 Å²	71	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-67.1	-39	178.2	0	0	0	0	0	112.5	F434 I492 L495 N563 T600 F605 K606	F434-A602 HydrophobicContact CE2-CB 4.1Å; F434-A602 HydrophobicContact CZ-CB 4Å; I492-A602 HydrophobicContact CG1-CB 4.3Å; I492-A602 HydrophobicContact CG2-CB 3.75Å; L495-A602 HydrophobicContact CD2-CB 4.48Å; N563-A602 WeakPolarHBondContact OD1-CB 3.29Å; N563-A602 PolarHBondContact OD1-N 2.97Å; T600-A602 VanDerWaalsContact C-N 3.29Å; T600-A602 PolarHBondContact O-N 2.88Å; A602-F605 WeakPolarHBondContact O-CB 3.15Å; A602-F605 PolarHBondContact O-N 3.38Å; A602-K606 WeakPolarHBondContact O-CB 3.32Å; A602-K606 PolarHBondContact O-N 2.8Å
603	T	83.5	Confident	75.7	Confident	41 Å²	41	70.4 Å²	70.4	25%	0.252	37%	0.368	S	S	.	.	H	α-helix	trans	-72.4	-41.9	177.9	-82.4	0	0	0	0	112.3	D496 D599 T600 F605 K606 A607	D496-T603 PolarHBondContact OD2-OG1 3.21Å; D599-T603 HydrophobicContact CB-CG2 4.26Å; T600-T603 PolarHBondContact O-N 2.95Å; T600-T603 WeakPolarHBondContact OG1-CB 3.43Å; T600-T603 PolarHBondContact OG1-N 3.14Å; T603-F605 PolarHBondContact O-N 3.38Å; T603-K606 PolarHBondContact O-N 2.8Å; T603-A607 PolarHBondContact O-N 3.1Å
604	Q	81.4	Confident	77	Confident	79 Å²	79	72.1 Å²	72.1	37%	0.369	37%	0.366	S	S	.	.	H	α-helix	trans	-57.2	-40.7	171.1	-69.6	179.6	21.5	0	0	111.3	D599 T600 S608	D599-Q604 HydrophobicContact CB-CG 3.69Å; D599-Q604 PolarHBondContact O-NE2 3.27Å; T600-Q604 WeakPolarHBondContact O-CG 3.41Å; T600-Q604 PolarHBondContact O-N 3.06Å; Q604-S608 WeakPolarHBondContact O-CB 3.24Å; Q604-S608 PolarHBondContact O-N 3.44Å; Q604-S608 PolarHBondContact O-OG 2.74Å
605	F	82.1	Confident	78.4	Confident	8 Å²	8	68.9 Å²	68.9	4%	0.035	35%	0.348	C	S	.	.	H	α-helix	trans	-65.7	-48.4	177.3	174.2	-130.6	0	0	0	112.4	L226 C438 Y441 C442 A601 A602 T603 A607 S608 L609	L226-F605 HydrophobicContact CB-CE2 4.5Å; L226-F605 HydrophobicContact CD1-CD1 4.15Å; L226-F605 HydrophobicContact CD1-CD2 3.4Å; L226-F605 VanDerWaalsContact CD1-CD2 3.4Å; L226-F605 HydrophobicContact CD1-CE1 3.8Å; L226-F605 HydrophobicContact CD1-CE2 3.04Å; L226-F605 HydrophobicContact CD1-CG 3.92Å; L226-F605 HydrophobicContact CD1-CZ 3.2Å; L226-F605 HydrophobicContact CD2-CB 3.89Å; L226-F605 HydrophobicContact CD2-CD2 3.31Å; L226-F605 HydrophobicContact CD2-CE2 3.88Å; L226-F605 HydrophobicContact CD2-CG 3.66Å; L226-F605 HydrophobicContact CG-CD2 3.2Å; L226-F605 HydrophobicContact CG-CE2 3.21Å; L226-F605 HydrophobicContact CG-CG 3.98Å; L226-F605 HydrophobicContact CG-CZ 3.94Å; C438-F605 HydrophobicContact CB-CD1 3.86Å; C438-F605 HydrophobicContact CB-CE1 3.56Å; C438-F605 HydrophobicContact CB-CZ 4.23Å; C438-F605 WeakPolarHBondContact O-CE1 3.45Å; C438-F605 VanDerWaalsContact O-CZ 3.26Å; C438-F605 WeakPolarHBondContact O-CZ 3.37Å; Y441-F605 HydrophobicContact CD1-CD1 4.21Å; Y441-F605 AromaticContact CD1-CE1 3.67Å; Y441-F605 HydrophobicContact CD1-CE1 3.67Å; Y441-F605 HydrophobicContact CE1-CE1 4.28Å; C442-F605 HydrophobicContact CB-CE1 4.46Å; C442-F605 HydrophobicContact CB-CE2 4.33Å; C442-F605 HydrophobicContact CB-CZ 3.57Å; A601-F605 VanDerWaalsContact O-CB 3.29Å; A601-F605 WeakPolarHBondContact O-CB 3.35Å; A601-F605 PolarHBondContact O-N 3.25Å; A602-F605 WeakPolarHBondContact O-CB 3.15Å; A602-F605 PolarHBondContact O-N 3.38Å; T603-F605 PolarHBondContact O-N 3.38Å; F605-A607 VanDerWaalsContact C-N 3.29Å; F605-A607 PolarHBondContact O-N 2.91Å; F605-S608 WeakPolarHBondContact O-CB 3.34Å; F605-S608 PolarHBondContact O-N 3.38Å; F605-S608 VanDerWaalsContact O-N 3.15Å; F605-L609 HydrophobicContact CE2-CB 4.49Å; F605-L609 WeakPolarHBondContact O-CB 3.46Å; F605-L609 PolarHBondContact O-N 2.8Å
606	K	86.3	Confident	79.8	Confident	47 Å²	47	59.3 Å²	59.3	20%	0.204	31%	0.307	C	S	.	.	H	α-helix	trans	-55.8	-44.7	176	177.8	179.5	169.5	-177.8	0	111.5	E485 I492 A602 T603 L609 A610	E485-K606 HydrophobicContact CB-CD 4.33Å; E485-K606 PolarHBondContact O-NZ 3.04Å; I492-K606 HydrophobicContact CD1-CB 4.43Å; A602-K606 WeakPolarHBondContact O-CB 3.32Å; A602-K606 PolarHBondContact O-N 2.8Å; T603-K606 PolarHBondContact O-N 2.8Å; K606-L609 PolarHBondContact O-N 3.18Å; K606-A610 WeakPolarHBondContact O-CB 3.45Å; K606-A610 PolarHBondContact O-N 2.87Å
607	A	86	Confident	81.2	Confident	59 Å²	59	56 Å²	56	49%	0.488	30%	0.295	S	S	.	.	H	α-helix	trans	-63.3	-43.8	176.5	0	0	0	0	0	112.2	T603 F605 L609 A610 K611	T603-A607 PolarHBondContact O-N 3.1Å; F605-A607 VanDerWaalsContact C-N 3.29Å; F605-A607 PolarHBondContact O-N 2.91Å; A607-L609 VanDerWaalsContact C-N 3.32Å; A607-L609 PolarHBondContact O-N 2.86Å; A607-A610 PolarHBondContact O-N 3.42Å; A607-K611 PolarHBondContact O-N 3.36Å; A607-K611 VanDerWaalsContact O-N 3.08Å
608	S	83.9	Confident	82.5	Confident	52 Å²	52	51 Å²	51	36%	0.364	29%	0.289	S	S	.	.	H	α-helix	trans	-63.2	-39.2	177.3	-59.8	0	0	0	0	112.2	Q604 F605 K611 L612	Q604-S608 WeakPolarHBondContact O-CB 3.24Å; Q604-S608 PolarHBondContact O-N 3.44Å; Q604-S608 PolarHBondContact O-OG 2.74Å; F605-S608 WeakPolarHBondContact O-CB 3.34Å; F605-S608 PolarHBondContact O-N 3.38Å; F605-S608 VanDerWaalsContact O-N 3.15Å; S608-K611 PolarHBondContact O-N 2.99Å; S608-L612 PolarHBondContact O-N 2.99Å
609	L	84.4	Confident	83.8	Confident	5 Å²	5	48.2 Å²	48.2	3%	0.026	27%	0.269	C	S	.	.	H	α-helix	trans	-68.8	-41.9	177.5	-174.1	64.7	0	0	0	111.6	Y441 C442 K445 F605 K606 A607 K611 L612 M613	Y441-L609 HydrophobicContact CD1-CD2 3.99Å; Y441-L609 HydrophobicContact CE1-CD2 3.51Å; C442-L609 HydrophobicContact CB-CD1 3.95Å; C442-L609 HydrophobicContact CB-CD2 4.11Å; C442-L609 WeakPolarHBondContact SG-CD1 3.34Å; K445-L609 HydrophobicContact CB-CD2 3.93Å; K445-L609 HydrophobicContact CG-CD2 3.81Å; F605-L609 HydrophobicContact CE2-CB 4.49Å; F605-L609 WeakPolarHBondContact O-CB 3.46Å; F605-L609 PolarHBondContact O-N 2.8Å; K606-L609 PolarHBondContact O-N 3.18Å; A607-L609 VanDerWaalsContact C-N 3.32Å; A607-L609 PolarHBondContact O-N 2.86Å; L609-K611 VanDerWaalsContact C-N 3.33Å; L609-K611 PolarHBondContact O-N 3.46Å; L609-L612 HydrophobicContact CD1-CD2 4.44Å; L609-L612 WeakPolarHBondContact O-CB 3.41Å; L609-L612 PolarHBondContact O-N 3.43Å; L609-L612 VanDerWaalsContact O-N 3.15Å; L609-M613 HydrophobicContact CD1-CE 3.55Å; L609-M613 HydrophobicContact CG-CE 4.19Å; L609-M613 WeakPolarHBondContact O-CG 3.45Å; L609-M613 PolarHBondContact O-N 3.5Å
610	A	87	Confident	84.6	Confident	48 Å²	48	46.5 Å²	46.5	40%	0.397	26%	0.257	S	S	.	.	H	α-helix	trans	-58.3	-45.8	174.8	0	0	0	0	0	111.4	K606 A607 L612 M613 E614	K606-A610 WeakPolarHBondContact O-CB 3.45Å; K606-A610 PolarHBondContact O-N 2.87Å; A607-A610 PolarHBondContact O-N 3.42Å; A610-L612 VanDerWaalsContact C-N 3.32Å; A610-L612 PolarHBondContact O-N 3.47Å; A610-M613 PolarHBondContact O-N 2.93Å; A610-M613 VanDerWaalsContact O-N 3.13Å; A610-E614 PolarHBondContact O-N 2.71Å
611	K	86.6	Confident	85.2	Confident	134 Å²	134	47.2 Å²	47.2	58%	0.583	26%	0.262	S	S	*	.	H	α-helix	trans	-59.7	-40.7	174.5	-172.6	177.1	-177.8	178.8	0	112.2	A607 S608 L609 E614 I615	A607-K611 PolarHBondContact O-N 3.36Å; A607-K611 VanDerWaalsContact O-N 3.08Å; S608-K611 PolarHBondContact O-N 2.99Å; L609-K611 VanDerWaalsContact C-N 3.33Å; L609-K611 PolarHBondContact O-N 3.46Å; K611-E614 PolarHBondContact O-N 3.24Å; K611-I615 HydrophobicContact CG-CD1 4.39Å; K611-I615 VanDerWaalsContact O-CG1 3.29Å; K611-I615 WeakPolarHBondContact O-CG1 3.38Å; K611-I615 PolarHBondContact O-N 2.69Å; K611-I615 VanDerWaalsContact O-N 3.14Å
612	L	85.7	Confident	85.7	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-63.3	-43.6	174.4	177.4	62	0	0	0	111.5	Y206 Y225 L421 S608 L609 A610 E614 I615 L616	Y206-L612 HydrophobicContact CD2-CD1 4.34Å; Y206-L612 HydrophobicContact CG-CD1 4.3Å; Y225-L612 HydrophobicContact CE1-CB 4.01Å; Y225-L612 HydrophobicContact CE2-CD1 3.98Å; Y225-L612 HydrophobicContact CE2-CD2 4.28Å; L421-L612 HydrophobicContact CD1-CD1 4.22Å; L421-L612 HydrophobicContact CD1-CD2 4.14Å; L421-L612 HydrophobicContact CD2-CD2 4.49Å; S608-L612 PolarHBondContact O-N 2.99Å; L609-L612 HydrophobicContact CD1-CD2 4.44Å; L609-L612 WeakPolarHBondContact O-CB 3.41Å; L609-L612 PolarHBondContact O-N 3.43Å; L609-L612 VanDerWaalsContact O-N 3.15Å; A610-L612 VanDerWaalsContact C-N 3.32Å; A610-L612 PolarHBondContact O-N 3.47Å; L612-E614 VanDerWaalsContact C-N 3.33Å; L612-E614 PolarHBondContact O-N 3.2Å; L612-I615 PolarHBondContact O-N 3.42Å; L612-L616 HydrophobicContact CD1-CD1 4.15Å; L612-L616 HydrophobicContact CD1-CD2 4.48Å; L612-L616 HydrophobicContact CD1-CG 4.09Å; L612-L616 HydrophobicContact CG-CD1 3.97Å; L612-L616 HydrophobicContact CG-CG 4.33Å; L612-L616 VanDerWaalsContact O-CG 3.28Å; L612-L616 WeakPolarHBondContact O-CG 3.34Å; L612-L616 PolarHBondContact O-N 3Å
613	M	86.6	Confident	86	Confident	22 Å²	22	47.2 Å²	47.2	11%	0.108	26%	0.26	C	S	.	.	H	α-helix	trans	-60.8	-42	177.7	-64.4	-54.2	107.8	0	0	111.7	K445 L446 L449 L609 A610 I615 L616 M617	K445-M613 HydrophobicContact CB-SD 4.48Å; L446-M613 HydrophobicContact CD2-CE 3.5Å; L446-M613 HydrophobicContact CD2-SD 4.32Å; L446-M613 HydrophobicContact CG-CE 4.02Å; L449-M613 HydrophobicContact CB-SD 4.28Å; L449-M613 HydrophobicContact CD2-SD 3.86Å; L609-M613 HydrophobicContact CD1-CE 3.55Å; L609-M613 HydrophobicContact CG-CE 4.19Å; L609-M613 WeakPolarHBondContact O-CG 3.45Å; L609-M613 PolarHBondContact O-N 3.5Å; A610-M613 PolarHBondContact O-N 2.93Å; A610-M613 VanDerWaalsContact O-N 3.13Å; M613-I615 VanDerWaalsContact C-N 3.34Å; M613-I615 PolarHBondContact O-N 2.71Å; M613-L616 HydrophobicContact CE-CD1 4.12Å; M613-L616 PolarHBondContact O-N 2.82Å; M613-M617 WeakPolarHBondContact O-CB 3.36Å; M613-M617 WeakPolarHBondContact O-CG 3.35Å; M613-M617 PolarHBondContact O-N 2.93Å
614	E	88.1	Confident	86.5	Confident	126 Å²	126	45.3 Å²	45.3	59%	0.589	25%	0.248	S	C	*	.	H	α-helix	trans	-58.7	-45.5	175	-71.6	174.9	-179.3	0	0	111.9	A610 K611 L612 L616 M617 S618	A610-E614 PolarHBondContact O-N 2.71Å; K611-E614 PolarHBondContact O-N 3.24Å; L612-E614 VanDerWaalsContact C-N 3.33Å; L612-E614 PolarHBondContact O-N 3.2Å; E614-L616 VanDerWaalsContact C-N 3.34Å; E614-L616 PolarHBondContact O-N 2.9Å; E614-M617 HydrophobicContact CG-CE 4.37Å; E614-M617 PolarHBondContact O-N 3.23Å; E614-S618 PolarHBondContact O-N 2.86Å
615	I	86.8	Confident	87	Confident	32 Å²	32	42.4 Å²	42.4	16%	0.164	23%	0.234	C	C	.	.	H	α-helix	trans	-60.6	-44.7	176.4	-67.7	169.1	0	0	0	110.6	Y206 I223 K611 L612 M613 S618 K619	Y206-I615 HydrophobicContact CE1-CG2 3.64Å; Y206-I615 VanDerWaalsContact OH-CG2 3.3Å; Y206-I615 WeakPolarHBondContact OH-CG2 3.17Å; I223-I615 HydrophobicContact CD1-CD1 4Å; K611-I615 HydrophobicContact CG-CD1 4.39Å; K611-I615 VanDerWaalsContact O-CG1 3.29Å; K611-I615 WeakPolarHBondContact O-CG1 3.38Å; K611-I615 PolarHBondContact O-N 2.69Å; K611-I615 VanDerWaalsContact O-N 3.14Å; L612-I615 PolarHBondContact O-N 3.42Å; M613-I615 VanDerWaalsContact C-N 3.34Å; M613-I615 PolarHBondContact O-N 2.71Å; I615-S618 PolarHBondContact O-N 3Å; I615-S618 PolarHBondContact O-OG 3.28Å; I615-K619 VanDerWaalsContact CG2-NZ 3.29Å
616	L	86.2	Confident	87.5	Confident	4 Å²	4	42 Å²	42	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-69.8	-37.9	-178.9	-65.5	173.6	0	0	0	112.5	C140 L142 Y206 L421 L446 L449 L612 M613 E614 S618 K619	C140-L616 HydrophobicContact CB-CD2 4.33Å; C140-L616 WeakPolarHBondContact SG-CD2 3.33Å; L142-L616 HydrophobicContact CD1-CD2 4.49Å; L142-L616 HydrophobicContact CD2-CD1 4.28Å; Y206-L616 HydrophobicContact CE2-CD2 4.11Å; L421-L616 HydrophobicContact CD2-CD1 3.98Å; L421-L616 HydrophobicContact CD2-CD2 4.39Å; L446-L616 HydrophobicContact CD2-CD1 3.62Å; L449-L616 HydrophobicContact CD2-CB 3.61Å; L449-L616 HydrophobicContact CD2-CD1 3.88Å; L449-L616 HydrophobicContact CD2-CG 4.42Å; L612-L616 HydrophobicContact CD1-CD1 4.15Å; L612-L616 HydrophobicContact CD1-CD2 4.48Å; L612-L616 HydrophobicContact CD1-CG 4.09Å; L612-L616 HydrophobicContact CG-CD1 3.97Å; L612-L616 HydrophobicContact CG-CG 4.33Å; L612-L616 VanDerWaalsContact O-CG 3.28Å; L612-L616 WeakPolarHBondContact O-CG 3.34Å; L612-L616 PolarHBondContact O-N 3Å; M613-L616 HydrophobicContact CE-CD1 4.12Å; M613-L616 PolarHBondContact O-N 2.82Å; E614-L616 VanDerWaalsContact C-N 3.34Å; E614-L616 PolarHBondContact O-N 2.9Å; L616-S618 PolarHBondContact O-N 3.28Å; L616-K619 PolarHBondContact O-N 2.79Å; L616-K619 VanDerWaalsContact O-O 3.12Å
617	M	85.7	Confident	87.8	Confident	103 Å²	103	39.8 Å²	39.8	51%	0.507	22%	0.223	S	C	.	.	H	α-helix	trans	-65	-27.5	176.8	-76.7	-172.7	-61.5	0	0	113	L449 M613 E614 K619	L449-M617 HydrophobicContact CD1-CG 3.47Å; L449-M617 VanDerWaalsContact CD1-CG 3.47Å; L449-M617 HydrophobicContact CD1-SD 4.25Å; M613-M617 WeakPolarHBondContact O-CB 3.36Å; M613-M617 WeakPolarHBondContact O-CG 3.35Å; M613-M617 PolarHBondContact O-N 2.93Å; E614-M617 HydrophobicContact CG-CE 4.37Å; E614-M617 PolarHBondContact O-N 3.23Å; M617-K619 PolarHBondContact O-N 2.99Å
618	S	86.7	Confident	87.9	Confident	84 Å²	84	37 Å²	37	59%	0.587	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-10.7	176.6	72.8	0	0	0	0	114.1	E614 I615 L616	E614-S618 PolarHBondContact O-N 2.86Å; I615-S618 PolarHBondContact O-N 3Å; I615-S618 PolarHBondContact O-OG 3.28Å; L616-S618 PolarHBondContact O-N 3.28Å
619	K	88	Confident	88.3	Confident	20 Å²	20	34.5 Å²	34.5	9%	0.087	18%	0.182	C	C	.	.	S	Bend	trans	-119.8	154.1	-172.7	-59.6	-166.1	173.7	75.3	0	111.9	D138 Q139 C140 Y206 D208 I615 L616 M617 P621	D138-K619 HydrophobicContact CB-CB 4.36Å; D138-K619 HydrophobicContact CB-CD 3.96Å; D138-K619 HydrophobicContact CB-CG 3.7Å; D138-K619 WeakPolarHBondContact O-CA 3.16Å; Q139-K619 WeakPolarHBondContact O-CD 3.32Å; C140-K619 HydrophobicContact CB-CB 3.99Å; C140-K619 HydrophobicContact CB-CD 4.21Å; Y206-K619 WeakPolarHBondContact OH-CE 2.94Å; Y206-K619 PolarHBondContact OH-NZ 3.32Å; D208-K619 IonicContact OD1-NZ 3.32Å; I615-K619 VanDerWaalsContact CG2-NZ 3.29Å; L616-K619 PolarHBondContact O-N 2.79Å; L616-K619 VanDerWaalsContact O-O 3.12Å; M617-K619 PolarHBondContact O-N 2.99Å; K619-P621 WeakPolarHBondContact O-CD 3.19Å
620	E	85.4	Confident	88.6	Confident	71 Å²	71	34.3 Å²	34.3	33%	0.332	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	122.4	173.4	-172	-179.3	173.5	0	0	110.5	D138 Q139 C140	D138-E620 PolarHBondContact O-N 3.33Å; Q139-E620 CarbonylContact C-O 3.48Å; Q139-E620 WeakPolarHBondContact CA-O 3.27Å; Q139-E620 PolarHBondContact NE2-OE2 3.3Å; Q139-E620 PolarHBondContact OE1-OE2 2.7Å; C140-E620 PolarHBondContact N-O 3.16Å
621	P	88.2	Confident	88.4	Confident	33 Å²	33	36 Å²	36	21%	0.214	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	139.2	-172.2	37.2	-38.1	0	0	0	113.2	C140 L142 L453 K619 Y623	C140-P621 CarbonylContact O-C 3.56Å; C140-P621 WeakPolarHBondContact O-CA 3.42Å; L142-P621 HydrophobicContact CD1-CB 3.86Å; L453-P621 HydrophobicContact CB-CG 4.31Å; L453-P621 HydrophobicContact CD1-CB 4.46Å; L453-P621 HydrophobicContact CD1-CG 3.87Å; K619-P621 WeakPolarHBondContact O-CD 3.19Å; P621-Y623 HydrophobicContact CB-CE1 3.97Å; P621-Y623 HydrophobicContact CB-CE2 3.93Å; P621-Y623 VanDerWaalsContact CB-CZ 3.46Å; P621-Y623 WeakPolarHBondContact CB-OH 3.36Å; P621-Y623 HydrophobicContact CG-CE2 3.96Å; P621-Y623 WeakPolarHBondContact CG-OH 3.46Å
622	S	89.4	Confident	88.2	Confident	15 Å²	15	32.7 Å²	32.7	11%	0.105	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	146.4	166.5	-73.9	0	0	0	0	109.1	C140 I141 L142	C140-S622 PolarHBondContact O-N 2.86Å; I141-S622 CarbonylContact C-O 3.53Å; I141-S622 WeakPolarHBondContact CA-O 3.42Å; L142-S622 PolarHBondContact N-O 2.92Å
623	Y	89	Confident	88	Confident	7 Å²	7	36.1 Å²	36.1	3%	0.027	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	132.7	-168	-56.5	-78.1	0	0	0	112.6	V88 L89 L142 F450 P621	V88-Y623 HydrophobicContact CG2-CD2 4.07Å; V88-Y623 HydrophobicContact CG2-CG 4.38Å; L89-Y623 PolarHBondContact N-O 3.37Å; L142-Y623 HydrophobicContact CB-CD1 3.92Å; L142-Y623 HydrophobicContact CB-CE1 4.25Å; L142-Y623 HydrophobicContact CD1-CD1 4.32Å; L142-Y623 HydrophobicContact CD1-CE1 3.95Å; L142-Y623 HydrophobicContact CD2-CE1 4.1Å; L142-Y623 HydrophobicContact CG-CD1 4.5Å; L142-Y623 HydrophobicContact CG-CE1 4.34Å; F450-Y623 HydrophobicContact CB-CE1 4.47Å; F450-Y623 AromaticContact CD2-CD1 3.63Å; F450-Y623 HydrophobicContact CD2-CD1 3.63Å; F450-Y623 AromaticContact CD2-CD2 3.97Å; F450-Y623 HydrophobicContact CD2-CD2 3.97Å; F450-Y623 AromaticContact CD2-CE1 3.37Å; F450-Y623 HydrophobicContact CD2-CE1 3.37Å; F450-Y623 AromaticContact CD2-CE2 3.67Å; F450-Y623 HydrophobicContact CD2-CE2 3.67Å; F450-Y623 AromaticContact CD2-CG 3.91Å; F450-Y623 HydrophobicContact CD2-CG 3.91Å; F450-Y623 AromaticContact CD2-CZ 3.33Å; F450-Y623 HydrophobicContact CE2-CD1 4.02Å; F450-Y623 AromaticContact CE2-CD2 3.58Å; F450-Y623 HydrophobicContact CE2-CD2 3.58Å; F450-Y623 HydrophobicContact CE2-CE1 4.03Å; F450-Y623 AromaticContact CE2-CE2 3.54Å; F450-Y623 HydrophobicContact CE2-CE2 3.54Å; F450-Y623 AromaticContact CE2-CG 3.79Å; F450-Y623 HydrophobicContact CE2-CG 3.79Å; F450-Y623 AromaticContact CE2-CZ 3.75Å; F450-Y623 HydrophobicContact CG-CE1 4.4Å; P621-Y623 HydrophobicContact CB-CE1 3.97Å; P621-Y623 HydrophobicContact CB-CE2 3.93Å; P621-Y623 VanDerWaalsContact CB-CZ 3.46Å; P621-Y623 WeakPolarHBondContact CB-OH 3.36Å; P621-Y623 HydrophobicContact CG-CE2 3.96Å; P621-Y623 WeakPolarHBondContact CG-OH 3.46Å
624	V	93	Very high	87.9	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	121.4	171.5	-174.3	0	0	0	0	108.9	L89 V124 I141 L142 I143 S144	L89-V624 HydrophobicContact CB-CG2 4.47Å; L89-V624 HydrophobicContact CD2-CG1 4.45Å; L89-V624 CarbonylContact O-C 3.6Å; L89-V624 WeakPolarHBondContact O-CA 3.16Å; V124-V624 HydrophobicContact CG1-CG2 4.45Å; I141-V624 HydrophobicContact CG2-CG2 3.93Å; L142-V624 PolarHBondContact O-N 3.06Å; I143-V624 WeakPolarHBondContact CA-O 3.37Å; I143-V624 HydrophobicContact CG1-CB 4.31Å; I143-V624 HydrophobicContact CG2-CB 4.39Å; I143-V624 HydrophobicContact CG2-CG1 4.48Å; S144-V624 PolarHBondContact N-O 2.87Å
625	R	91.9	Very high	88	Confident	18 Å²	18	36 Å²	36	7%	0.068	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	105.9	-178.8	-55.8	-59.7	-169.1	162.2	6.4	108.8	V88 L89 V90 S91 S144 F450 L650 L652	V88-R625 HydrophobicContact CG1-CG 3.68Å; L89-R625 PolarHBondContact O-N 2.91Å; V90-R625 CarbonylContact C-O 3.55Å; V90-R625 WeakPolarHBondContact CA-O 3.46Å; S91-R625 PolarHBondContact N-O 2.93Å; S144-R625 WeakPolarHBondContact OG-CD 3.23Å; S144-R625 PolarHBondContact OG-NH1 3.43Å; F450-R625 VanDerWaalsContact CG-NH2 3.34Å; R625-L650 HydrophobicContact CB-CD1 4.49Å; R625-L652 HydrophobicContact CB-CD2 3.83Å; R625-L652 HydrophobicContact CG-CD2 3.7Å
626	C	92.6	Very high	88	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	134.3	-178.7	-64.8	0	0	0	0	111.1	S91 S144 G145 A149 K151	S91-C626 CarbonylContact O-C 3.57Å; S91-C626 VanDerWaalsContact O-CA 3.28Å; S91-C626 WeakPolarHBondContact O-CA 3.37Å; S144-C626 PolarHBondContact O-N 3.48Å; G145-C626 VanDerWaalsContact CA-O 3.26Å; G145-C626 WeakPolarHBondContact CA-O 3.44Å; A149-C626 HydrophobicContact CB-CB 3.73Å; K151-C626 HydrophobicContact CG-CB 4.2Å
627	I	92.2	Very high	88.2	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	134.3	-179.7	-61.2	179	0	0	0	109.8	L72 V90 S91 V92 N93 I643 Q646 L650 L652	L72-I627 HydrophobicContact CD1-CD1 3.9Å; V90-I627 HydrophobicContact CG1-CD1 3.52Å; V90-I627 HydrophobicContact CG1-CG1 4.16Å; S91-I627 PolarHBondContact O-N 2.95Å; V92-I627 WeakPolarHBondContact CA-O 3.5Å; V92-I627 HydrophobicContact CG2-CB 4.31Å; N93-I627 PolarHBondContact N-O 3.08Å; I627-I643 HydrophobicContact CG2-CG1 3.96Å; I627-I643 HydrophobicContact CG2-CG2 4.15Å; I627-Q646 HydrophobicContact CG2-CB 4.5Å; I627-L650 HydrophobicContact CG1-CD1 3.88Å; I627-L652 HydrophobicContact CD1-CD1 3.86Å
628	K	89.8	Confident	88.6	Confident	1 Å²	1	40.2 Å²	40.2	0%	0.004	22%	0.221	C	C	.	.			trans	-87.2	121.3	173	-173.6	-178.9	-176.1	-173.6	0	110.3	Y95 A149 R196 N630 D631 L642 Q646	Y95-K628 VanDerWaalsContact OH-CE 3.26Å; Y95-K628 WeakPolarHBondContact OH-CE 3.22Å; Y95-K628 WeakPolarHBondContact OH-CG 3.3Å; A149-K628 HydrophobicContact CB-CB 4.32Å; R196-K628 PolarHBondContact O-NZ 3.41Å; K628-N630 WeakPolarHBondContact CE-O 3.25Å; K628-D631 WeakPolarHBondContact CE-OD1 3.32Å; K628-D631 IonicContact NZ-OD1 2.73Å; K628-D631 PolarHBondContact NZ-OD1 3.13Å; K628-L642 HydrophobicContact CG-CD2 4.49Å; K628-Q646 PolarHBondContact O-NE2 2.9Å
629	P	92	Very high	88.8	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.206	C	C	.	.			trans	-80.2	-22.9	-174.7	35.7	-42.9	0	0	0	114.5	F76 V92 N93 Y95 R637 D639 I643	F76-P629 HydrophobicContact CE1-CB 4.28Å; F76-P629 HydrophobicContact CE2-CB 4.29Å; F76-P629 HydrophobicContact CE2-CG 4.44Å; F76-P629 HydrophobicContact CZ-CB 3.87Å; F76-P629 HydrophobicContact CZ-CG 4.02Å; V92-P629 HydrophobicContact CG1-CB 3.96Å; N93-P629 VanDerWaalsContact O-CD 3.28Å; N93-P629 WeakPolarHBondContact O-CD 3.4Å; N93-P629 WeakPolarHBondContact O-CG 3.49Å; Y95-P629 HydrophobicContact CD2-CG 3.72Å; Y95-P629 HydrophobicContact CE2-CG 3.58Å; P629-R637 WeakPolarHBondContact CB-O 2.79Å; P629-D639 WeakPolarHBondContact O-CB 3.22Å; P629-D639 PolarHBondContact O-N 3.44Å; P629-I643 HydrophobicContact CB-CD1 4.45Å
630	N	89.6	Confident	88.9	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.221	C	C	.	.			trans	-164.7	155.6	179.6	64.2	89.5	0	0	0	111.4	Y95 K628 S632 K633 Q634 R637 D639	Y95-N630 PolarHBondContact OH-O 3.49Å; K628-N630 WeakPolarHBondContact CE-O 3.25Å; N630-S632 PolarHBondContact OD1-N 2.8Å; N630-K633 PolarHBondContact OD1-N 3.03Å; N630-Q634 PolarHBondContact ND2-O 3.04Å; N630-Q634 PolarHBondContact OD1-N 2.97Å; N630-R637 HydrophobicContact CB-CB 4.41Å; N630-R637 HydrophobicContact CB-CG 4.04Å; N630-R637 PolarHBondContact ND2-O 2.86Å; N630-D639 HydrophobicContact CB-CB 4.42Å
631	D	82.8	Confident	89.1	Confident	84 Å²	84	43.2 Å²	43.2	45%	0.449	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-23.6	178.5	-76.8	-42.1	0	0	0	114.6	K628 K633	K628-D631 WeakPolarHBondContact CE-OD1 3.32Å; K628-D631 IonicContact NZ-OD1 2.73Å; K628-D631 PolarHBondContact NZ-OD1 3.13Å; D631-K633 PolarHBondContact O-N 3.23Å
632	S	82.6	Confident	89	Confident	65 Å²	65	42.8 Å²	42.8	46%	0.455	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	1.1	-178.6	-52.7	0	0	0	0	114.2	N630 Q634 R637	N630-S632 PolarHBondContact OD1-N 2.8Å; S632-Q634 PolarHBondContact O-N 2.86Å; S632-R637 PolarHBondContact OG-NH1 3.11Å
633	K	82.2	Confident	89	Confident	74 Å²	74	42 Å²	42	32%	0.322	23%	0.225	S	C	.	.			trans	54.8	32.4	-177.9	-55.9	172.3	-175.2	155.1	0	113.4	Y95 D198 N630 D631	Y95-K633 HydrophobicContact CD1-CB 4.11Å; Y95-K633 HydrophobicContact CE1-CB 3.92Å; Y95-K633 HydrophobicContact CE1-CG 3.99Å; D198-K633 IonicContact OD1-NZ 3.82Å; D198-K633 PolarHBondContact OD1-NZ 3.14Å; D198-K633 IonicContact OD2-NZ 2.66Å; D198-K633 PolarHBondContact OD2-NZ 3.18Å; N630-K633 PolarHBondContact OD1-N 3.03Å; D631-K633 PolarHBondContact O-N 3.23Å
634	Q	84.7	Confident	89	Confident	100 Å²	100	46 Å²	46	47%	0.467	24%	0.239	S	C	.	.			trans	-93.3	134.7	-178.3	-74	174.2	-24.4	0	0	110.8	N630 S632 R637	N630-Q634 PolarHBondContact ND2-O 3.04Å; N630-Q634 PolarHBondContact OD1-N 2.97Å; S632-Q634 PolarHBondContact O-N 2.86Å; Q634-R637 HydrophobicContact CB-CB 4.16Å; Q634-R637 VanDerWaalsContact OE1-CD 3.27Å
635	A	88.8	Confident	88.5	Confident	46 Å²	46	50 Å²	50	38%	0.38	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	147.9	171.7	0	0	0	0	0	111.2	K96 R637	K96-A635 HydrophobicContact CB-CB 4.12Å; K96-A635 HydrophobicContact CD-CB 4.23Å; K96-A635 HydrophobicContact CG-CB 4.35Å; A635-R637 PolarHBondContact O-N 2.78Å
636	S	86.6	Confident	88.2	Confident	81 Å²	81	49.1 Å²	49.1	57%	0.566	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	3.8	176.3	-65	0	0	0	0	116.8
637	R	91.9	Very high	88	Confident	106 Å²	106	49.1 Å²	49.1	40%	0.4	26%	0.255	S	S	.	.			trans	-91.1	132.4	172.1	-178.1	175.2	178	-171.1	-6	110.7	P629 N630 S632 Q634 A635	P629-R637 WeakPolarHBondContact CB-O 2.79Å; N630-R637 HydrophobicContact CB-CB 4.41Å; N630-R637 HydrophobicContact CB-CG 4.04Å; N630-R637 PolarHBondContact ND2-O 2.86Å; S632-R637 PolarHBondContact OG-NH1 3.11Å; Q634-R637 HydrophobicContact CB-CB 4.16Å; Q634-R637 VanDerWaalsContact OE1-CD 3.27Å; A635-R637 PolarHBondContact O-N 2.78Å
638	F	92.4	Very high	87.3	Confident	40 Å²	40	54.8 Å²	54.8	18%	0.175	28%	0.28	C	S	.	.			trans	-126.5	111.4	-178.5	-171.4	-81.6	0	0	0	109.1	I69 L72 R73 F76 I643	I69-F638 HydrophobicContact CG2-CE1 3.83Å; I69-F638 HydrophobicContact CG2-CZ 4.02Å; L72-F638 HydrophobicContact CB-CE2 4.08Å; L72-F638 HydrophobicContact CB-CZ 4Å; R73-F638 HydrophobicContact CB-CD1 4.2Å; R73-F638 HydrophobicContact CB-CE1 3.81Å; R73-F638 HydrophobicContact CB-CE2 4.17Å; R73-F638 HydrophobicContact CB-CZ 3.78Å; R73-F638 HydrophobicContact CG-CD1 3.89Å; R73-F638 HydrophobicContact CG-CE1 4Å; R73-F638 HydrophobicContact CG-CG 4.17Å; R73-F638 HydrophobicContact CG-CZ 4.37Å; F76-F638 HydrophobicContact CB-CD2 4.12Å; F76-F638 HydrophobicContact CB-CE2 4.34Å; F76-F638 HydrophobicContact CD1-CB 4.19Å; F76-F638 AromaticContact CD1-CD2 3.76Å; F76-F638 HydrophobicContact CD1-CD2 3.76Å; F76-F638 HydrophobicContact CD1-CG 4.48Å; F76-F638 HydrophobicContact CE1-CB 4.4Å; F76-F638 HydrophobicContact CE1-CD2 4.43Å; F76-F638 HydrophobicContact CG-CD2 4.06Å; F638-I643 HydrophobicContact CD1-CD1 3.76Å; F638-I643 HydrophobicContact CD2-CD1 3.45Å; F638-I643 VanDerWaalsContact CD2-CD1 3.45Å; F638-I643 HydrophobicContact CE1-CD1 3.51Å; F638-I643 HydrophobicContact CE2-CD1 3.2Å; F638-I643 HydrophobicContact CG-CD1 3.74Å; F638-I643 HydrophobicContact CZ-CB 4.48Å; F638-I643 HydrophobicContact CZ-CD1 3.23Å; F638-I643 HydrophobicContact CZ-CG1 4.45Å; F638-I643 HydrophobicContact CZ-CG2 4.22Å
639	D	92.6	Very high	86.6	Confident	51 Å²	51	54.9 Å²	54.9	27%	0.273	28%	0.28	S	S	.	.			trans	-94.7	108.4	176.6	-170.6	-33.4	0	0	0	109.7	P629 N630 V641 L642 I643	P629-D639 WeakPolarHBondContact O-CB 3.22Å; P629-D639 PolarHBondContact O-N 3.44Å; N630-D639 HydrophobicContact CB-CB 4.42Å; D639-V641 VanDerWaalsContact C-N 3.33Å; D639-V641 PolarHBondContact O-N 2.91Å; D639-V641 PolarHBondContact OD1-N 2.64Å; D639-L642 HydrophobicContact CB-CB 3.95Å; D639-L642 PolarHBondContact OD1-N 3.4Å; D639-I643 WeakPolarHBondContact O-CB 3.24Å; D639-I643 VanDerWaalsContact O-CG1 3.28Å; D639-I643 WeakPolarHBondContact O-CG1 3.49Å; D639-I643 PolarHBondContact O-N 3.47Å
640	E	90	Very high	86.1	Confident	87 Å²	87	55.1 Å²	55.1	41%	0.407	28%	0.281	S	S	.	.	H	α-helix	trans	-65.2	-36.6	-176.3	-159.4	-171.9	148.5	0	0	112.5	I69 R644	I69-E640 HydrophobicContact CG2-CG 3.62Å; E640-R644 VanDerWaalsContact CD-NH2 3.3Å; E640-R644 WeakPolarHBondContact O-CB 3.5Å; E640-R644 PolarHBondContact O-N 3.46Å; E640-R644 IonicContact OE1-CZ 3.68Å; E640-R644 IonicContact OE1-NH2 3.66Å; E640-R644 PolarHBondContact OE1-NH2 2.91Å
641	V	88.2	Confident	85.5	Confident	99 Å²	99	55.2 Å²	55.2	60%	0.6	28%	0.282	S	S	*	.	H	α-helix	trans	-70	-45.4	-177	179.5	0	0	0	0	109.7	D639 R644 H645	D639-V641 VanDerWaalsContact C-N 3.33Å; D639-V641 PolarHBondContact O-N 2.91Å; D639-V641 PolarHBondContact OD1-N 2.64Å; V641-R644 PolarHBondContact O-N 3.25Å; V641-H645 PolarHBondContact O-N 3.46Å; V641-H645 VanDerWaalsContact O-N 3.15Å
642	L	86.5	Confident	85.6	Confident	24 Å²	24	51.2 Å²	51.2	13%	0.126	26%	0.261	C	S	.	.	H	α-helix	trans	-60.8	-49.9	176.4	-178.7	66.7	0	0	0	110.6	K628 D639 R644 H645 Q646	K628-L642 HydrophobicContact CG-CD2 4.49Å; D639-L642 HydrophobicContact CB-CB 3.95Å; D639-L642 PolarHBondContact OD1-N 3.4Å; L642-R644 VanDerWaalsContact C-N 3.33Å; L642-R644 PolarHBondContact O-N 3.3Å; L642-H645 WeakPolarHBondContact O-CB 3.38Å; L642-H645 PolarHBondContact O-N 3.35Å; L642-Q646 WeakPolarHBondContact O-CG 3.45Å; L642-Q646 PolarHBondContact O-N 2.94Å; L642-Q646 VanDerWaalsContact O-N 3.11Å
643	I	90.2	Very high	85.6	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-66	-36.8	-178	-67.3	168.8	0	0	0	111.5	L72 I627 P629 F638 D639 H645 Q646 V647	L72-I643 HydrophobicContact CD1-CG2 4.02Å; I627-I643 HydrophobicContact CG2-CG1 3.96Å; I627-I643 HydrophobicContact CG2-CG2 4.15Å; P629-I643 HydrophobicContact CB-CD1 4.45Å; F638-I643 HydrophobicContact CD1-CD1 3.76Å; F638-I643 HydrophobicContact CD2-CD1 3.45Å; F638-I643 VanDerWaalsContact CD2-CD1 3.45Å; F638-I643 HydrophobicContact CE1-CD1 3.51Å; F638-I643 HydrophobicContact CE2-CD1 3.2Å; F638-I643 HydrophobicContact CG-CD1 3.74Å; F638-I643 HydrophobicContact CZ-CB 4.48Å; F638-I643 HydrophobicContact CZ-CD1 3.23Å; F638-I643 HydrophobicContact CZ-CG1 4.45Å; F638-I643 HydrophobicContact CZ-CG2 4.22Å; D639-I643 WeakPolarHBondContact O-CB 3.24Å; D639-I643 VanDerWaalsContact O-CG1 3.28Å; D639-I643 WeakPolarHBondContact O-CG1 3.49Å; D639-I643 PolarHBondContact O-N 3.47Å; I643-H645 VanDerWaalsContact C-N 3.31Å; I643-H645 PolarHBondContact O-N 2.88Å; I643-Q646 CarbonylContact O-C 3.53Å; I643-Q646 WeakPolarHBondContact O-CA 3.39Å; I643-Q646 PolarHBondContact O-N 3.28Å; I643-V647 HydrophobicContact CG2-CG2 4.05Å; I643-V647 VanDerWaalsContact O-CG2 3.31Å; I643-V647 WeakPolarHBondContact O-CG2 3.27Å; I643-V647 PolarHBondContact O-N 3.1Å
644	R	88.1	Confident	85.2	Confident	89 Å²	89	48 Å²	48	34%	0.336	24%	0.24	S	C	.	.	H	α-helix	trans	-55.9	-47.9	173.6	-170.5	178.2	-58.6	126.3	-1.6	111.4	E65 I69 E640 V641 L642 Q646 V647 K648	E65-R644 HydrophobicContact CG-CG 4.4Å; E65-R644 WeakPolarHBondContact OE1-CG 3.34Å; I69-R644 HydrophobicContact CD1-CB 3.64Å; I69-R644 HydrophobicContact CD1-CG 3.72Å; E640-R644 VanDerWaalsContact CD-NH2 3.3Å; E640-R644 WeakPolarHBondContact O-CB 3.5Å; E640-R644 PolarHBondContact O-N 3.46Å; E640-R644 IonicContact OE1-CZ 3.68Å; E640-R644 IonicContact OE1-NH2 3.66Å; E640-R644 PolarHBondContact OE1-NH2 2.91Å; V641-R644 PolarHBondContact O-N 3.25Å; L642-R644 VanDerWaalsContact C-N 3.33Å; L642-R644 PolarHBondContact O-N 3.3Å; R644-Q646 VanDerWaalsContact C-N 3.27Å; R644-Q646 PolarHBondContact O-N 3.46Å; R644-V647 PolarHBondContact O-N 2.86Å; R644-K648 PolarHBondContact O-N 3.27Å; R644-K648 VanDerWaalsContact O-N 3.15Å
645	H	82.7	Confident	84.9	Confident	85 Å²	85	43.4 Å²	43.4	39%	0.394	22%	0.219	S	C	.	.	H	α-helix	trans	-57.4	-42.5	175	-169.4	-99.6	0	0	0	111.6	V641 L642 I643 K648 Y649	V641-H645 PolarHBondContact O-N 3.46Å; V641-H645 VanDerWaalsContact O-N 3.15Å; L642-H645 WeakPolarHBondContact O-CB 3.38Å; L642-H645 PolarHBondContact O-N 3.35Å; I643-H645 VanDerWaalsContact C-N 3.31Å; I643-H645 PolarHBondContact O-N 2.88Å; H645-K648 WeakPolarHBondContact O-CB 3.5Å; H645-K648 PolarHBondContact O-N 3.18Å; H645-Y649 AromaticContact CE1-CD1 3.88Å; H645-Y649 AromaticContact ND1-CD1 3.56Å; H645-Y649 AromaticContact ND1-CE1 3.77Å; H645-Y649 WeakPolarHBondContact O-CD1 3.49Å; H645-Y649 PolarHBondContact O-N 2.99Å; H645-Y649 VanDerWaalsContact O-N 3.07Å
646	Q	86.9	Confident	84.5	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-68.7	-39.1	178.3	-55.2	179.6	65.9	0	0	115.1	I627 K628 L642 I643 R644 K648 Y649 L650	I627-Q646 HydrophobicContact CG2-CB 4.5Å; K628-Q646 PolarHBondContact O-NE2 2.9Å; L642-Q646 WeakPolarHBondContact O-CG 3.45Å; L642-Q646 PolarHBondContact O-N 2.94Å; L642-Q646 VanDerWaalsContact O-N 3.11Å; I643-Q646 CarbonylContact O-C 3.53Å; I643-Q646 WeakPolarHBondContact O-CA 3.39Å; I643-Q646 PolarHBondContact O-N 3.28Å; R644-Q646 VanDerWaalsContact C-N 3.27Å; R644-Q646 PolarHBondContact O-N 3.46Å; Q646-K648 PolarHBondContact O-N 3.17Å; Q646-Y649 HydrophobicContact CB-CE1 3.7Å; Q646-Y649 WeakPolarHBondContact CB-OH 3.46Å; Q646-Y649 HydrophobicContact CG-CE1 3.5Å; Q646-Y649 VanDerWaalsContact CG-CE1 3.5Å; Q646-Y649 WeakPolarHBondContact CG-OH 3.42Å; Q646-Y649 PolarHBondContact O-N 2.92Å; Q646-Y649 PolarHBondContact OE1-OH 3.39Å; Q646-L650 HydrophobicContact CB-CD1 4.48Å; Q646-L650 WeakPolarHBondContact O-CB 3.39Å; Q646-L650 VanDerWaalsContact O-CG 3.27Å; Q646-L650 WeakPolarHBondContact O-CG 3.37Å; Q646-L650 PolarHBondContact O-N 3.28Å
647	V	87.2	Confident	84	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-59.2	-39.6	175	167.6	0	0	0	0	110.3	F68 I69 L72 I643 R644 L652 M653	F68-V647 HydrophobicContact CD1-CG1 3.94Å; F68-V647 HydrophobicContact CD1-CG2 3.99Å; F68-V647 HydrophobicContact CE1-CG1 4.05Å; F68-V647 HydrophobicContact CE1-CG2 3.87Å; I69-V647 HydrophobicContact CG1-CG2 4.46Å; L72-V647 HydrophobicContact CD1-CG2 4.27Å; I643-V647 HydrophobicContact CG2-CG2 4.05Å; I643-V647 VanDerWaalsContact O-CG2 3.31Å; I643-V647 WeakPolarHBondContact O-CG2 3.27Å; I643-V647 PolarHBondContact O-N 3.1Å; R644-V647 PolarHBondContact O-N 2.86Å; V647-L652 HydrophobicContact CG1-CB 4.29Å; V647-L652 HydrophobicContact CG2-CD1 4.28Å; V647-L652 PolarHBondContact O-N 2.83Å; V647-L652 VanDerWaalsContact O-N 3.13Å; V647-M653 HydrophobicContact CG1-CG 3.77Å; V647-M653 HydrophobicContact CG1-SD 4.4Å
648	K	78.6	Confident	83.2	Confident	119 Å²	119	38 Å²	38	52%	0.517	18%	0.178	S	C	.	.	H	α-helix	trans	-66.8	-57	176.5	-170.5	178.4	178.4	-176	0	112.4	R644 H645 Q646 L650 G651	R644-K648 PolarHBondContact O-N 3.27Å; R644-K648 VanDerWaalsContact O-N 3.15Å; H645-K648 WeakPolarHBondContact O-CB 3.5Å; H645-K648 PolarHBondContact O-N 3.18Å; Q646-K648 PolarHBondContact O-N 3.17Å; K648-L650 VanDerWaalsContact C-N 3.34Å; K648-L650 PolarHBondContact O-N 3.22Å; K648-G651 PolarHBondContact O-N 3.42Å
649	Y	74.9	Confident	82.3	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.008	17%	0.173	C	C	.	.	H	α-helix	trans	-75.8	-16.5	-176.2	76.3	-110.8	0	0	0	114.6	E146 F426 Y548 A549 H645 Q646 G651	E146-Y649 VanDerWaalsContact CB-OH 3.24Å; E146-Y649 WeakPolarHBondContact CB-OH 3.29Å; E146-Y649 HydrophobicContact CG-CE1 4.01Å; E146-Y649 HydrophobicContact CG-CE2 4.35Å; E146-Y649 WeakPolarHBondContact CG-OH 3.45Å; E146-Y649 WeakPolarHBondContact OE1-CE1 3.36Å; E146-Y649 PolarHBondContact OE1-OH 2.8Å; F426-Y649 HydrophobicContact CB-CD2 4.14Å; Y548-Y649 WeakPolarHBondContact CE2-O 3.39Å; Y548-Y649 PolarHBondContact OH-O 2.76Å; A549-Y649 HydrophobicContact CB-CG 4.49Å; H645-Y649 AromaticContact CE1-CD1 3.88Å; H645-Y649 AromaticContact ND1-CD1 3.56Å; H645-Y649 AromaticContact ND1-CE1 3.77Å; H645-Y649 WeakPolarHBondContact O-CD1 3.49Å; H645-Y649 PolarHBondContact O-N 2.99Å; H645-Y649 VanDerWaalsContact O-N 3.07Å; Q646-Y649 HydrophobicContact CB-CE1 3.7Å; Q646-Y649 WeakPolarHBondContact CB-OH 3.46Å; Q646-Y649 HydrophobicContact CG-CE1 3.5Å; Q646-Y649 VanDerWaalsContact CG-CE1 3.5Å; Q646-Y649 WeakPolarHBondContact CG-OH 3.42Å; Q646-Y649 PolarHBondContact O-N 2.92Å; Q646-Y649 PolarHBondContact OE1-OH 3.39Å; Y649-G651 PolarHBondContact O-N 2.94Å
650	L	80.3	Confident	81.2	Confident	5 Å²	5	36.5 Å²	36.5	3%	0.026	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-5	168.9	-70.5	170.8	0	0	0	112	R625 I627 Q646 K648 L652	R625-L650 HydrophobicContact CB-CD1 4.49Å; I627-L650 HydrophobicContact CG1-CD1 3.88Å; Q646-L650 HydrophobicContact CB-CD1 4.48Å; Q646-L650 WeakPolarHBondContact O-CB 3.39Å; Q646-L650 VanDerWaalsContact O-CG 3.27Å; Q646-L650 WeakPolarHBondContact O-CG 3.37Å; Q646-L650 PolarHBondContact O-N 3.28Å; K648-L650 VanDerWaalsContact C-N 3.34Å; K648-L650 PolarHBondContact O-N 3.22Å; L650-L652 HydrophobicContact CB-CD1 4.33Å; L650-L652 HydrophobicContact CB-CD2 3.93Å; L650-L652 HydrophobicContact CB-CG 3.75Å; L650-L652 HydrophobicContact CD1-CD1 4.4Å; L650-L652 PolarHBondContact O-N 3.33Å
651	G	77.8	Confident	80.1	Confident	3 Å²	3	34 Å²	34	3%	0.031	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	31.3	-177.7	0	0	0	0	0	112.7	K648 Y649 M653 E654 N655	K648-G651 PolarHBondContact O-N 3.42Å; Y649-G651 PolarHBondContact O-N 2.94Å; G651-M653 VanDerWaalsContact C-N 3.35Å; G651-E654 VanDerWaalsContact CA-OE2 3.29Å; G651-E654 WeakPolarHBondContact CA-OE2 3.39Å; G651-E654 PolarHBondContact O-N 3.47Å; G651-N655 VanDerWaalsContact O-CB 3.27Å; G651-N655 WeakPolarHBondContact O-CB 3.45Å; G651-N655 PolarHBondContact O-N 2.99Å
652	L	85.2	Confident	79.2	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-70.5	-34	-173.9	-59.8	-176.7	0	0	0	111.8	F68 I85 V90 R625 I627 V647 L650 L656	F68-L652 HydrophobicContact CE1-CB 4.36Å; F68-L652 HydrophobicContact CE1-CD1 4.12Å; F68-L652 HydrophobicContact CE2-CB 4.48Å; F68-L652 HydrophobicContact CZ-CB 3.85Å; F68-L652 HydrophobicContact CZ-CD1 4.1Å; I85-L652 HydrophobicContact CD1-CB 4.01Å; I85-L652 HydrophobicContact CD1-CD2 3.91Å; I85-L652 HydrophobicContact CD1-CG 4.42Å; V90-L652 HydrophobicContact CG1-CD1 4.45Å; V90-L652 HydrophobicContact CG2-CD1 4.27Å; V90-L652 HydrophobicContact CG2-CD2 4.37Å; R625-L652 HydrophobicContact CB-CD2 3.83Å; R625-L652 HydrophobicContact CG-CD2 3.7Å; I627-L652 HydrophobicContact CD1-CD1 3.86Å; V647-L652 HydrophobicContact CG1-CB 4.29Å; V647-L652 HydrophobicContact CG2-CD1 4.28Å; V647-L652 PolarHBondContact O-N 2.83Å; V647-L652 VanDerWaalsContact O-N 3.13Å; L650-L652 HydrophobicContact CB-CD1 4.33Å; L650-L652 HydrophobicContact CB-CD2 3.93Å; L650-L652 HydrophobicContact CB-CG 3.75Å; L650-L652 HydrophobicContact CD1-CD1 4.4Å; L650-L652 PolarHBondContact O-N 3.33Å; L652-L656 WeakPolarHBondContact O-CB 3.2Å; L652-L656 PolarHBondContact O-N 3.02Å
653	M	81.4	Confident	78.6	Confident	9 Å²	9	29.7 Å²	29.7	4%	0.044	14%	0.136	C	C	.	.	H	α-helix	trans	-69.4	-41.4	176.3	-70.8	-61.4	-66.9	0	0	111	F62 E65 F68 V647 G651 L656 R657	F62-M653 VanDerWaalsContact O-CE 3.27Å; F62-M653 WeakPolarHBondContact O-CE 3.45Å; E65-M653 HydrophobicContact CB-CE 4.41Å; F68-M653 HydrophobicContact CB-SD 3.81Å; F68-M653 HydrophobicContact CD2-SD 3.71Å; F68-M653 HydrophobicContact CE2-SD 4.47Å; F68-M653 HydrophobicContact CG-SD 3.83Å; V647-M653 HydrophobicContact CG1-CG 3.77Å; V647-M653 HydrophobicContact CG1-SD 4.4Å; G651-M653 VanDerWaalsContact C-N 3.35Å; M653-L656 PolarHBondContact O-N 3.15Å; M653-R657 WeakPolarHBondContact O-CB 3.41Å; M653-R657 VanDerWaalsContact O-CG 3.24Å; M653-R657 WeakPolarHBondContact O-CG 3.42Å; M653-R657 PolarHBondContact O-N 2.77Å
654	E	74.5	Confident	77.5	Confident	61 Å²	61	30.7 Å²	30.7	29%	0.285	14%	0.144	S	C	.	.	H	α-helix	trans	-64.3	-43.8	175.5	-68.5	64	-141.2	0	0	110.4	G651 L656 R657 V658	G651-E654 VanDerWaalsContact CA-OE2 3.29Å; G651-E654 WeakPolarHBondContact CA-OE2 3.39Å; G651-E654 PolarHBondContact O-N 3.47Å; E654-L656 PolarHBondContact O-N 3.5Å; E654-R657 PolarHBondContact O-N 2.8Å; E654-V658 WeakPolarHBondContact O-CG2 3.28Å; E654-V658 PolarHBondContact O-N 2.8Å
655	N	78.6	Confident	76.8	Confident	4 Å²	4	27.8 Å²	27.8	2%	0.021	13%	0.133	C	C	.	.	H	α-helix	trans	-57.5	-48.2	174	-173.1	-46.2	0	0	0	111.5	I85 V88 F450 G651 R657 V658 R659	I85-N655 VanDerWaalsContact CG2-OD1 3.32Å; I85-N655 WeakPolarHBondContact CG2-OD1 3.47Å; V88-N655 WeakPolarHBondContact CG2-ND2 3.39Å; F450-N655 HydrophobicContact CE1-CB 4.42Å; F450-N655 HydrophobicContact CZ-CB 4.47Å; F450-N655 WeakPolarHBondContact CZ-ND2 3.44Å; G651-N655 VanDerWaalsContact O-CB 3.27Å; G651-N655 WeakPolarHBondContact O-CB 3.45Å; G651-N655 PolarHBondContact O-N 2.99Å; N655-R657 VanDerWaalsContact C-N 3.33Å; N655-R657 PolarHBondContact O-N 3.02Å; N655-V658 PolarHBondContact O-N 3.05Å; N655-R659 WeakPolarHBondContact O-CB 3.32Å; N655-R659 WeakPolarHBondContact O-CG 3.27Å; N655-R659 PolarHBondContact O-N 2.95Å
656	L	80.1	Confident	76.5	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-60.2	-42.7	175.9	176.3	59.6	0	0	0	111.8	F56 V57 F62 F68 I85 L652 M653 E654 R659 R660	F56-L656 VanDerWaalsContact C-CD1 3.46Å; F56-L656 HydrophobicContact CB-CD1 4.02Å; F56-L656 HydrophobicContact CB-CD2 4.37Å; F56-L656 VanDerWaalsContact O-CD1 3.27Å; F56-L656 WeakPolarHBondContact O-CD1 3.32Å; V57-L656 HydrophobicContact CG2-CD1 4.25Å; F62-L656 HydrophobicContact CB-CD2 3.94Å; F62-L656 HydrophobicContact CB-CG 4.23Å; F68-L656 HydrophobicContact CD2-CD2 3.92Å; F68-L656 HydrophobicContact CE2-CD2 4.19Å; I85-L656 HydrophobicContact CG2-CB 4.19Å; I85-L656 HydrophobicContact CG2-CD1 4.33Å; L652-L656 WeakPolarHBondContact O-CB 3.2Å; L652-L656 PolarHBondContact O-N 3.02Å; M653-L656 PolarHBondContact O-N 3.15Å; E654-L656 PolarHBondContact O-N 3.5Å; L656-R659 PolarHBondContact O-N 2.89Å; L656-R660 WeakPolarHBondContact O-CB 3.17Å; L656-R660 PolarHBondContact O-N 3.46Å
657	R	76.6	Confident	76.1	Confident	106 Å²	106	28.6 Å²	28.6	40%	0.4	13%	0.132	S	C	.	.	H	α-helix	trans	-62.8	-45.7	177.1	-73.4	169.5	-175.3	179.8	2.7	111.7	M653 E654 N655 R660 A661	M653-R657 WeakPolarHBondContact O-CB 3.41Å; M653-R657 VanDerWaalsContact O-CG 3.24Å; M653-R657 WeakPolarHBondContact O-CG 3.42Å; M653-R657 PolarHBondContact O-N 2.77Å; E654-R657 PolarHBondContact O-N 2.8Å; N655-R657 VanDerWaalsContact C-N 3.33Å; N655-R657 PolarHBondContact O-N 3.02Å; R657-R660 PolarHBondContact O-N 3.12Å; R657-A661 VanDerWaalsContact O-CB 3.31Å; R657-A661 WeakPolarHBondContact O-CB 3.22Å; R657-A661 PolarHBondContact O-N 3.23Å
658	V	73.8	Confident	75.9	Confident	15 Å²	15	36 Å²	36	9%	0.091	16%	0.161	C	C	.	.	H	α-helix	trans	-62	-46.7	177	172.5	0	0	0	0	111.2	T454 L455 V472 E654 N655 R660	T454-V658 HydrophobicContact CG2-CG1 4.27Å; L455-V658 HydrophobicContact CD2-CG1 3.61Å; L455-V658 HydrophobicContact CD2-CG2 4.42Å; L455-V658 HydrophobicContact CG-CG1 4.33Å; V472-V658 HydrophobicContact CG1-CG2 4.27Å; E654-V658 WeakPolarHBondContact O-CG2 3.28Å; E654-V658 PolarHBondContact O-N 2.8Å; N655-V658 PolarHBondContact O-N 3.05Å; V658-R660 VanDerWaalsContact C-N 3.33Å; V658-R660 PolarHBondContact O-N 3.29Å
659	R	73.6	Confident	76.3	Confident	22 Å²	22	31 Å²	31	8%	0.083	14%	0.138	C	C	.	.	H	α-helix	trans	-66.7	-32.1	179	-70	-68.3	-174	-175.8	-4.5	113.2	V57 S87 E458 N655 L656	V57-R659 HydrophobicContact CG2-CB 4.12Å; S87-R659 PolarHBondContact OG-NH2 3.32Å; E458-R659 IonicContact OE1-CZ 2.61Å; E458-R659 IonicContact OE1-NH1 3.98Å; E458-R659 PolarHBondContact OE1-NH1 3.13Å; N655-R659 WeakPolarHBondContact O-CB 3.32Å; N655-R659 WeakPolarHBondContact O-CG 3.27Å; N655-R659 PolarHBondContact O-N 2.95Å; L656-R659 PolarHBondContact O-N 2.89Å
660	R	70.4	Confident	76.7	Confident	36 Å²	36	36.5 Å²	36.5	14%	0.136	16%	0.164	C	C	.	.	H	α-helix	trans	-90.9	-23.1	-178.5	-177.2	163.3	170.2	169.3	-8.5	114.8	L59 E60 F62 L656 R657 V658 G662	L59-R660 PolarHBondContact O-NH1 2.88Å; E60-R660 PolarHBondContact O-NH1 3.37Å; E60-R660 PolarHBondContact O-NH2 3.48Å; F62-R660 VanDerWaalsContact CD1-NH1 3.34Å; F62-R660 HydrophobicContact CD2-CB 4.49Å; F62-R660 HydrophobicContact CD2-CG 4.3Å; F62-R660 HydrophobicContact CE2-CG 4.46Å; F62-R660 VanDerWaalsContact CG-CD 3.44Å; F62-R660 HydrophobicContact CG-CG 4.47Å; L656-R660 WeakPolarHBondContact O-CB 3.17Å; L656-R660 PolarHBondContact O-N 3.46Å; R657-R660 PolarHBondContact O-N 3.12Å; V658-R660 VanDerWaalsContact C-N 3.33Å; V658-R660 PolarHBondContact O-N 3.29Å; R660-G662 CarbonylContact C-O 3.5Å; R660-G662 PolarHBondContact O-N 3.3Å
661	A	66.3	Low	76.7	Confident	34 Å²	34	39 Å²	39	28%	0.281	18%	0.177	S	C	.	.	H	α-helix	trans	-61.1	-30.3	169.5	0	0	0	0	0	110.6	V472 R657	V472-A661 HydrophobicContact CB-CB 4.11Å; V472-A661 HydrophobicContact CG1-CB 3.61Å; V472-A661 HydrophobicContact CG2-CB 3.41Å; V472-A661 VanDerWaalsContact CG2-CB 3.41Å; R657-A661 VanDerWaalsContact O-CB 3.31Å; R657-A661 WeakPolarHBondContact O-CB 3.22Å; R657-A661 PolarHBondContact O-N 3.23Å
662	G	69.1	Low	77	Confident	8 Å²	8	38.9 Å²	38.9	8%	0.082	18%	0.176	C	C	.	.	S	Bend	trans	-76.5	-163.5	164.3	0	0	0	0	0	115	Y462 R660	Y462-G662 WeakPolarHBondContact OH-CA 2.86Å; R660-G662 CarbonylContact C-O 3.5Å; R660-G662 PolarHBondContact O-N 3.3Å
663	F	74.8	Confident	77.1	Confident	26 Å²	26	39.3 Å²	39.3	11%	0.114	18%	0.178	C	C	.	.			trans	-85	120.3	175.3	-65.6	-88.3	0	0	0	111.1	Y462 I467 Y665 K710 F717 I718 R719	Y462-F663 HydrophobicContact CE1-CD2 4.47Å; Y462-F663 AromaticContact CE2-CD2 3.76Å; Y462-F663 HydrophobicContact CE2-CD2 3.76Å; Y462-F663 AromaticContact CE2-CE2 3.96Å; Y462-F663 HydrophobicContact CE2-CE2 3.96Å; Y462-F663 AromaticContact CZ-CD2 3.7Å; Y462-F663 PolarHBondContact OH-N 3.46Å; I467-F663 HydrophobicContact CG2-CD2 4.46Å; I467-F663 HydrophobicContact CG2-CE2 3.57Å; I467-F663 HydrophobicContact CG2-CZ 4.19Å; F663-Y665 VanDerWaalsContact C-N 3.25Å; F663-Y665 PolarHBondContact O-N 3.43Å; F663-K710 HydrophobicContact CE1-CB 3.85Å; F663-K710 HydrophobicContact CE1-CG 3.53Å; F663-K710 HydrophobicContact CE2-CG 4.27Å; F663-K710 HydrophobicContact CZ-CB 3.75Å; F663-K710 HydrophobicContact CZ-CG 3.24Å; F663-F717 HydrophobicContact CB-CB 3.8Å; F663-F717 HydrophobicContact CB-CD1 3.83Å; F663-F717 HydrophobicContact CB-CG 4.33Å; F663-F717 HydrophobicContact CD1-CB 3.63Å; F663-F717 HydrophobicContact CD2-CB 3.96Å; F663-F717 HydrophobicContact CD2-CD1 4Å; F663-F717 HydrophobicContact CD2-CG 4.32Å; F663-F717 HydrophobicContact CE1-CB 4.24Å; F663-F717 HydrophobicContact CG-CB 3.51Å; F663-F717 HydrophobicContact CG-CD1 4.03Å; F663-F717 HydrophobicContact CG-CG 4.22Å; F663-I718 CarbonylContact C-O 3.52Å; F663-R719 HydrophobicContact CD1-CB 3.93Å; F663-R719 HydrophobicContact CE1-CB 4.14Å
664	A	66.2	Low	77.3	Confident	20 Å²	20	45.3 Å²	45.3	17%	0.165	21%	0.206	C	C	.	.	S	Bend	trans	-57.5	-32.2	-178.8	0	0	0	0	0	114.5	V57 I718 R719 P721	V57-A664 HydrophobicContact CG1-CB 3.46Å; V57-A664 VanDerWaalsContact CG1-CB 3.46Å; A664-I718 PolarHBondContact N-O 2.83Å; A664-R719 VanDerWaalsContact CB-O 3.27Å; A664-R719 WeakPolarHBondContact CB-O 3.18Å; A664-P721 HydrophobicContact CB-CG 4.12Å
665	Y	73.3	Confident	77.6	Confident	28 Å²	28	47.7 Å²	47.7	11%	0.11	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	136.9	-177.6	177.9	-93.5	0	0	0	111.5	F663 R667 F672 F717 I718 L724	F663-Y665 VanDerWaalsContact C-N 3.25Å; F663-Y665 PolarHBondContact O-N 3.43Å; Y665-R667 HydrophobicContact CE1-CB 3.81Å; Y665-R667 WeakPolarHBondContact OH-CD 3.34Å; Y665-F672 HydrophobicContact CE1-CD2 4.01Å; Y665-F672 HydrophobicContact CE1-CE2 4.02Å; Y665-F717 CarbonylContact O-C 3.47Å; Y665-F717 WeakPolarHBondContact O-CA 3.44Å; Y665-I718 HydrophobicContact CD1-CB 4.49Å; Y665-I718 HydrophobicContact CD1-CD1 3.9Å; Y665-I718 HydrophobicContact CD1-CG1 4.28Å; Y665-I718 HydrophobicContact CE1-CD1 4.44Å; Y665-I718 PolarHBondContact N-O 3.06Å; Y665-I718 PolarHBondContact O-N 3.44Å; Y665-L724 HydrophobicContact CD1-CD1 4.01Å; Y665-L724 HydrophobicContact CD1-CD2 4.41Å; Y665-L724 HydrophobicContact CD2-CD1 4.34Å; Y665-L724 HydrophobicContact CD2-CD2 3.53Å; Y665-L724 HydrophobicContact CE1-CD1 3.97Å; Y665-L724 HydrophobicContact CE2-CD1 4.3Å; Y665-L724 HydrophobicContact CE2-CD2 4.03Å; Y665-L724 HydrophobicContact CG-CD1 4.18Å; Y665-L724 HydrophobicContact CG-CD2 3.73Å
666	R	77.9	Confident	78	Confident	71 Å²	71	47.6 Å²	47.6	27%	0.268	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	137.8	177.2	60.1	-175.9	173.4	-147.7	-6.3	112	E458 I716 F717	E458-R666 VanDerWaalsContact CD-NH1 3.3Å; E458-R666 IonicContact OE1-CZ 2.76Å; E458-R666 IonicContact OE1-NH1 3.23Å; E458-R666 PolarHBondContact OE1-NH1 3.38Å; E458-R666 IonicContact OE1-NH2 3.41Å; E458-R666 PolarHBondContact OE1-NH2 2.93Å; E458-R666 IonicContact OE2-NH1 2.97Å; E458-R666 PolarHBondContact OE2-NH1 3.06Å; R666-I716 VanDerWaalsContact CA-O 3.27Å; R666-I716 WeakPolarHBondContact CA-O 3.5Å; R666-F717 HydrophobicContact CB-CD1 3.79Å; R666-F717 HydrophobicContact CB-CE1 3.81Å; R666-F717 HydrophobicContact CB-CG 4.36Å; R666-F717 HydrophobicContact CB-CZ 4.38Å
667	R	77.9	Confident	78.4	Confident	31 Å²	31	49.8 Å²	49.8	12%	0.117	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	144	179.2	-154.7	85.7	176.1	-152.8	6.9	111	E116 Y665 I671 F672 K715 I716	E116-R667 IonicContact OE1-CZ 3.87Å; E116-R667 IonicContact OE1-NH2 3.49Å; E116-R667 PolarHBondContact OE1-NH2 3.38Å; Y665-R667 HydrophobicContact CE1-CB 3.81Å; Y665-R667 WeakPolarHBondContact OH-CD 3.34Å; R667-I671 HydrophobicContact CG-CB 4.21Å; R667-I671 HydrophobicContact CG-CG2 4.23Å; R667-F672 HydrophobicContact CB-CB 4.31Å; R667-F672 HydrophobicContact CB-CD2 4.32Å; R667-F672 HydrophobicContact CG-CB 4.38Å; R667-K715 CarbonylContact O-C 3.57Å; R667-K715 WeakPolarHBondContact O-CA 3.3Å; R667-K715 WeakPolarHBondContact O-CB 3.42Å; R667-I716 HydrophobicContact CB-CG2 4.43Å; R667-I716 PolarHBondContact N-O 3.41Å; R667-I716 WeakPolarHBondContact O-CG2 3.14Å; R667-I716 PolarHBondContact O-N 3.33Å
668	R	81.9	Confident	78.9	Confident	157 Å²	157	45.1 Å²	45.1	59%	0.592	20%	0.204	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-58.2	143.6	171.1	-69.4	-174.2	-178.1	-175.9	1.4	110.6	E670 I671 F672 K715	R668-E670 VanDerWaalsContact C-N 3.28Å; R668-E670 PolarHBondContact O-N 2.98Å; R668-I671 PolarHBondContact O-N 3.15Å; R668-F672 WeakPolarHBondContact O-CB 3.48Å; R668-F672 PolarHBondContact O-N 3.4Å; R668-K715 HydrophobicContact CG-CG 4.07Å
669	Y	87.9	Confident	79.6	Confident	13 Å²	13	45.3 Å²	45.3	5%	0.051	21%	0.205	C	C	.	.	H	α-helix	trans	-56.8	-40.3	-177.2	-65.4	-46.5	0	0	0	113.6	F672 L673 V695 L711 G712 S714 K715 I716	Y669-F672 PolarHBondContact O-N 3.04Å; Y669-L673 WeakPolarHBondContact O-CB 3.41Å; Y669-L673 PolarHBondContact O-N 3.45Å; Y669-V695 HydrophobicContact CD1-CB 3.93Å; Y669-V695 HydrophobicContact CD1-CG1 4.02Å; Y669-V695 HydrophobicContact CD1-CG2 3.8Å; Y669-V695 HydrophobicContact CE1-CB 4.42Å; Y669-V695 HydrophobicContact CE1-CG1 4.27Å; Y669-V695 HydrophobicContact CG-CG2 4.3Å; Y669-L711 HydrophobicContact CE1-CD2 3.74Å; Y669-L711 VanDerWaalsContact OH-C 3.3Å; Y669-L711 VanDerWaalsContact OH-CA 3.3Å; Y669-L711 WeakPolarHBondContact OH-CA 3.32Å; Y669-L711 VanDerWaalsContact OH-CB 3.28Å; Y669-L711 WeakPolarHBondContact OH-CB 3.34Å; Y669-G712 PolarHBondContact OH-N 3.45Å; Y669-G712 VanDerWaalsContact OH-N 3.1Å; Y669-G712 PolarHBondContact OH-O 3.36Å; Y669-S714 VanDerWaalsContact CD2-C 3.48Å; Y669-S714 VanDerWaalsContact CD2-O 3.24Å; Y669-S714 WeakPolarHBondContact CD2-O 3.41Å; Y669-S714 VanDerWaalsContact CE2-C 3.48Å; Y669-S714 PolarHBondContact N-O 2.87Å; Y669-S714 VanDerWaalsContact N-O 3.1Å; Y669-K715 WeakPolarHBondContact CE1-O 3.47Å; Y669-K715 PolarHBondContact OH-O 3.15Å; Y669-K715 VanDerWaalsContact OH-O 3.13Å; Y669-I716 HydrophobicContact CD1-CB 4.22Å; Y669-I716 HydrophobicContact CE1-CB 3.92Å; Y669-I716 VanDerWaalsContact CE1-N 3.35Å
670	E	83.4	Confident	80.3	Confident	118 Å²	118	44.2 Å²	44.2	55%	0.551	20%	0.201	S	C	*	.	H	α-helix	trans	-56.4	-55	178.7	-176.2	-179.6	-171.4	0	0	112.1	R668 F672 L673 Q674 L691	R668-E670 VanDerWaalsContact C-N 3.28Å; R668-E670 PolarHBondContact O-N 2.98Å; E670-F672 VanDerWaalsContact C-N 3.35Å; E670-F672 PolarHBondContact O-N 3.15Å; E670-L673 PolarHBondContact O-N 2.71Å; E670-Q674 VanDerWaalsContact O-CB 3.3Å; E670-Q674 WeakPolarHBondContact O-CB 3.45Å; E670-Q674 PolarHBondContact O-N 3.22Å; E670-L691 HydrophobicContact CB-CD1 3.89Å
671	I	79.9	Confident	81.1	Confident	57 Å²	57	46.4 Å²	46.4	29%	0.292	22%	0.22	S	C	.	.	H	α-helix	trans	-66.6	-41.4	-176.4	-57.3	172.9	0	0	0	110.3	R667 R668 R675	R667-I671 HydrophobicContact CG-CB 4.21Å; R667-I671 HydrophobicContact CG-CG2 4.23Å; R668-I671 PolarHBondContact O-N 3.15Å; I671-R675 WeakPolarHBondContact O-CB 3.43Å; I671-R675 PolarHBondContact O-N 3.49Å; I671-R675 VanDerWaalsContact O-N 3.15Å
672	F	84	Confident	82	Confident	1 Å²	1	51.3 Å²	51.3	0%	0.004	24%	0.237	C	C	.	.	H	α-helix	trans	-62.4	-49.8	178.1	-170.3	-94.5	0	0	0	110.9	Y665 R667 R668 Y669 E670 R675 Y676 V695 L698 I716 I718	Y665-F672 HydrophobicContact CE1-CD2 4.01Å; Y665-F672 HydrophobicContact CE1-CE2 4.02Å; R667-F672 HydrophobicContact CB-CB 4.31Å; R667-F672 HydrophobicContact CB-CD2 4.32Å; R667-F672 HydrophobicContact CG-CB 4.38Å; R668-F672 WeakPolarHBondContact O-CB 3.48Å; R668-F672 PolarHBondContact O-N 3.4Å; Y669-F672 PolarHBondContact O-N 3.04Å; E670-F672 VanDerWaalsContact C-N 3.35Å; E670-F672 PolarHBondContact O-N 3.15Å; F672-R675 PolarHBondContact O-N 2.83Å; F672-Y676 AromaticContact CD1-CD2 4Å; F672-Y676 HydrophobicContact CD1-CD2 4Å; F672-Y676 AromaticContact CD2-CD2 3.59Å; F672-Y676 HydrophobicContact CD2-CD2 3.59Å; F672-Y676 AromaticContact CD2-CE2 3.47Å; F672-Y676 HydrophobicContact CD2-CE2 3.47Å; F672-Y676 VanDerWaalsContact CD2-CE2 3.47Å; F672-Y676 AromaticContact CE1-CD2 3.91Å; F672-Y676 HydrophobicContact CE1-CD2 3.91Å; F672-Y676 AromaticContact CE2-CD2 3.48Å; F672-Y676 HydrophobicContact CE2-CD2 3.48Å; F672-Y676 VanDerWaalsContact CE2-CD2 3.48Å; F672-Y676 AromaticContact CE2-CE2 3.32Å; F672-Y676 HydrophobicContact CE2-CE2 3.32Å; F672-Y676 AromaticContact CG-CD2 3.84Å; F672-Y676 HydrophobicContact CG-CD2 3.84Å; F672-Y676 HydrophobicContact CG-CE2 4.18Å; F672-Y676 AromaticContact CZ-CD2 3.65Å; F672-Y676 HydrophobicContact CZ-CD2 3.65Å; F672-Y676 AromaticContact CZ-CE2 3.92Å; F672-Y676 HydrophobicContact CZ-CE2 3.92Å; F672-Y676 WeakPolarHBondContact O-CD2 3.36Å; F672-Y676 PolarHBondContact O-N 3.45Å; F672-V695 HydrophobicContact CD1-CG1 3.83Å; F672-V695 HydrophobicContact CD1-CG2 4.03Å; F672-V695 HydrophobicContact CE1-CG1 4.06Å; F672-L698 HydrophobicContact CD1-CD2 4.15Å; F672-L698 HydrophobicContact CE1-CD2 3.72Å; F672-I716 HydrophobicContact CB-CG2 4.04Å; F672-I716 HydrophobicContact CD1-CD1 4.5Å; F672-I716 HydrophobicContact CD1-CG2 4.04Å; F672-I716 HydrophobicContact CD2-CG2 3.69Å; F672-I716 HydrophobicContact CE1-CD1 4.01Å; F672-I716 HydrophobicContact CE1-CG2 4.44Å; F672-I716 HydrophobicContact CE2-CG2 4.14Å; F672-I716 HydrophobicContact CG-CG2 3.64Å; F672-I716 HydrophobicContact CZ-CD1 4.1Å; F672-I716 HydrophobicContact CZ-CG2 4.5Å; F672-I718 HydrophobicContact CE2-CD1 4.09Å; F672-I718 HydrophobicContact CZ-CD1 4.27Å
673	L	88.6	Confident	82.9	Confident	8 Å²	8	51 Å²	51	4%	0.042	23%	0.233	C	C	.	.	H	α-helix	trans	-64.8	-44.1	180	-170.1	62.4	0	0	0	111.3	Y669 E670 R675 Y676 K677 T683 W687 L691 V695	Y669-L673 WeakPolarHBondContact O-CB 3.41Å; Y669-L673 PolarHBondContact O-N 3.45Å; E670-L673 PolarHBondContact O-N 2.71Å; L673-R675 PolarHBondContact O-N 2.85Å; L673-Y676 PolarHBondContact O-N 2.99Å; L673-K677 HydrophobicContact CD1-CB 4.42Å; L673-K677 WeakPolarHBondContact O-CA 3.4Å; L673-K677 WeakPolarHBondContact O-CB 3.44Å; L673-K677 WeakPolarHBondContact O-CG 3.35Å; L673-K677 PolarHBondContact O-N 2.99Å; L673-T683 HydrophobicContact CD1-CG2 4.04Å; L673-W687 HydrophobicContact CD2-CB 3.99Å; L673-W687 HydrophobicContact CD2-CG 3.89Å; L673-L691 HydrophobicContact CD2-CD2 4.1Å; L673-V695 HydrophobicContact CB-CG2 3.94Å; L673-V695 HydrophobicContact CD1-CG2 4.35Å
674	Q	84.3	Confident	83.4	Confident	135 Å²	135	54.6 Å²	54.6	63%	0.631	25%	0.246	S	C	*	.	H	α-helix	trans	-59	-38	179.1	-171.3	180	14.5	0	0	112.3	E670	E670-Q674 VanDerWaalsContact O-CB 3.3Å; E670-Q674 WeakPolarHBondContact O-CB 3.45Å; E670-Q674 PolarHBondContact O-N 3.22Å
675	R	81.3	Confident	84.2	Confident	111 Å²	111	57.2 Å²	57.2	42%	0.419	26%	0.261	S	S	.	.	H	α-helix	trans	-72.1	-46.5	178	-174.6	174.9	-178.6	85.1	0.9	112.2	I671 F672 L673 E728 L731	I671-R675 WeakPolarHBondContact O-CB 3.43Å; I671-R675 PolarHBondContact O-N 3.49Å; I671-R675 VanDerWaalsContact O-N 3.15Å; F672-R675 PolarHBondContact O-N 2.83Å; L673-R675 PolarHBondContact O-N 2.85Å; R675-E728 IonicContact CZ-OE1 2.8Å; R675-E728 VanDerWaalsContact CZ-OE1 3.26Å; R675-E728 IonicContact NE-OE1 3.77Å; R675-E728 PolarHBondContact NE-OE1 3.42Å; R675-E728 IonicContact NE-OE2 2.7Å; R675-E728 IonicContact NH2-OE1 3.58Å; R675-E728 PolarHBondContact NH2-OE1 3.48Å; R675-E728 IonicContact NH2-OE2 3.3Å; R675-E728 PolarHBondContact NH2-OE2 3.39Å; R675-L731 HydrophobicContact CG-CD2 4.06Å
676	Y	86.4	Confident	84.7	Confident	2 Å²	2	61.3 Å²	61.3	1%	0.008	29%	0.285	C	S	.	.	H	α-helix	trans	-103.4	-2.9	-167.9	-60.3	-64.7	0	0	0	114.9	F672 L673 S678 L679 L698 T727 E728 L731	F672-Y676 AromaticContact CD1-CD2 4Å; F672-Y676 HydrophobicContact CD1-CD2 4Å; F672-Y676 AromaticContact CD2-CD2 3.59Å; F672-Y676 HydrophobicContact CD2-CD2 3.59Å; F672-Y676 AromaticContact CD2-CE2 3.47Å; F672-Y676 HydrophobicContact CD2-CE2 3.47Å; F672-Y676 VanDerWaalsContact CD2-CE2 3.47Å; F672-Y676 AromaticContact CE1-CD2 3.91Å; F672-Y676 HydrophobicContact CE1-CD2 3.91Å; F672-Y676 AromaticContact CE2-CD2 3.48Å; F672-Y676 HydrophobicContact CE2-CD2 3.48Å; F672-Y676 VanDerWaalsContact CE2-CD2 3.48Å; F672-Y676 AromaticContact CE2-CE2 3.32Å; F672-Y676 HydrophobicContact CE2-CE2 3.32Å; F672-Y676 AromaticContact CG-CD2 3.84Å; F672-Y676 HydrophobicContact CG-CD2 3.84Å; F672-Y676 HydrophobicContact CG-CE2 4.18Å; F672-Y676 AromaticContact CZ-CD2 3.65Å; F672-Y676 HydrophobicContact CZ-CD2 3.65Å; F672-Y676 AromaticContact CZ-CE2 3.92Å; F672-Y676 HydrophobicContact CZ-CE2 3.92Å; F672-Y676 WeakPolarHBondContact O-CD2 3.36Å; F672-Y676 PolarHBondContact O-N 3.45Å; L673-Y676 PolarHBondContact O-N 2.99Å; Y676-S678 PolarHBondContact O-N 3.35Å; Y676-L679 HydrophobicContact CD1-CD1 4.03Å; Y676-L679 HydrophobicContact CG-CD1 4.48Å; Y676-L679 VanDerWaalsContact O-CB 3.31Å; Y676-L679 WeakPolarHBondContact O-CB 3.38Å; Y676-L679 WeakPolarHBondContact O-CG 3.38Å; Y676-L679 PolarHBondContact O-N 3.1Å; Y676-L698 WeakPolarHBondContact O-CD1 3.29Å; Y676-T727 HydrophobicContact CD1-CG2 3.79Å; Y676-T727 HydrophobicContact CE1-CG2 3.98Å; Y676-T727 HydrophobicContact CG-CG2 4.2Å; Y676-E728 HydrophobicContact CE1-CG 4.29Å; Y676-E728 PolarHBondContact OH-OE1 2.84Å; Y676-L731 HydrophobicContact CD1-CB 4.38Å; Y676-L731 HydrophobicContact CD1-CD2 3.82Å; Y676-L731 HydrophobicContact CE1-CD2 3.84Å
677	K	88.5	Confident	85	Confident	47 Å²	47	61.2 Å²	61.2	20%	0.204	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-19.5	-179.2	59.6	174	-176	174.3	0	115.3	L673 L679 T683 W684 P685	L673-K677 HydrophobicContact CD1-CB 4.42Å; L673-K677 WeakPolarHBondContact O-CA 3.4Å; L673-K677 WeakPolarHBondContact O-CB 3.44Å; L673-K677 WeakPolarHBondContact O-CG 3.35Å; L673-K677 PolarHBondContact O-N 2.99Å; K677-L679 VanDerWaalsContact C-N 3.28Å; K677-T683 WeakPolarHBondContact CA-OG1 3.26Å; K677-T683 CarbonylContact O-C 3.53Å; K677-T683 PolarHBondContact O-OG1 3.49Å; K677-W684 HydrophobicContact CD-CE3 4.43Å; K677-W684 HydrophobicContact CG-CE3 4.07Å; K677-W684 HydrophobicContact CG-CZ3 4.26Å; K677-W684 WeakPolarHBondContact O-CB 3.29Å; K677-W684 PolarHBondContact O-N 3.03Å; K677-P685 WeakPolarHBondContact CD-O 3.49Å; K677-P685 VanDerWaalsContact CE-O 3.28Å; K677-P685 WeakPolarHBondContact CE-O 3.28Å; K677-P685 PolarHBondContact NZ-O 3.17Å
678	S	88.1	Confident	85.1	Confident	7 Å²	7	67.3 Å²	67.3	5%	0.049	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-18	179.6	73.9	0	0	0	0	114.2	Y676 W684 L731 R734	Y676-S678 PolarHBondContact O-N 3.35Å; S678-W684 VanDerWaalsContact CB-CE3 3.5Å; S678-L731 VanDerWaalsContact OG-CD1 3.28Å; S678-L731 WeakPolarHBondContact OG-CD1 3.27Å; S678-R734 PolarHBondContact O-NE 2.88Å; S678-R734 PolarHBondContact O-NH2 3.39Å
679	L	88.5	Confident	85.2	Confident	19 Å²	19	62 Å²	62	10%	0.099	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-44.2	-179.1	-66.2	179.3	0	0	0	111.8	Y676 K677 L698 M702 T727 A730 L731 R734	Y676-L679 HydrophobicContact CD1-CD1 4.03Å; Y676-L679 HydrophobicContact CG-CD1 4.48Å; Y676-L679 VanDerWaalsContact O-CB 3.31Å; Y676-L679 WeakPolarHBondContact O-CB 3.38Å; Y676-L679 WeakPolarHBondContact O-CG 3.38Å; Y676-L679 PolarHBondContact O-N 3.1Å; K677-L679 VanDerWaalsContact C-N 3.28Å; L679-L698 HydrophobicContact CB-CD1 3.87Å; L679-M702 HydrophobicContact CB-SD 4.1Å; L679-M702 HydrophobicContact CD1-CE 4.31Å; L679-M702 HydrophobicContact CD1-SD 3.93Å; L679-T727 HydrophobicContact CD1-CG2 3.63Å; L679-A730 HydrophobicContact CD1-CB 4.5Å; L679-A730 HydrophobicContact CD2-CB 3.76Å; L679-A730 WeakPolarHBondContact CD2-O 3.39Å; L679-L731 HydrophobicContact CD1-CB 4.41Å; L679-L731 VanDerWaalsContact CD2-CA 3.49Å; L679-L731 HydrophobicContact CD2-CB 4.12Å; L679-L731 HydrophobicContact CD2-CD1 4.44Å; L679-L731 HydrophobicContact CG-CB 4.48Å; L679-L731 HydrophobicContact CG-CD1 4.39Å; L679-R734 HydrophobicContact CD2-CB 4.16Å
680	C	88.4	Confident	85.2	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	34%	0.344	C	S	.	.	S	Bend	trans	-93.5	129.9	177.9	178.2	0	0	0	0	110.6	E682 T683 W684 L698 H701	C680-E682 VanDerWaalsContact C-N 3.26Å; C680-E682 PolarHBondContact O-N 3.33Å; C680-T683 HydrophobicContact CB-CG2 4.31Å; C680-T683 WeakPolarHBondContact CB-OG1 3.48Å; C680-T683 PolarHBondContact O-N 3.06Å; C680-T683 PolarHBondContact O-OG1 2.95Å; C680-T683 VanDerWaalsContact O-OG1 3.1Å; C680-W684 PolarHBondContact O-N 3.45Å; C680-L698 HydrophobicContact CB-CD1 3.78Å; C680-H701 HydrophobicContact CB-CB 4.07Å
681	P	85.6	Confident	85.5	Confident	82 Å²	82	66.9 Å²	66.9	53%	0.532	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-33.2	175.8	-25.2	34.6	0	0	0	114	W684 H701	P681-W684 PolarHBondContact O-N 2.96Å; P681-H701 WeakPolarHBondContact CD-NE2 3.39Å
682	E	86.2	Confident	85.9	Confident	137 Å²	137	66.1 Å²	66.1	64%	0.64	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-29.5	-178.2	-63	179.2	-165.7	0	0	112.8	C680 T697	C680-E682 VanDerWaalsContact C-N 3.26Å; C680-E682 PolarHBondContact O-N 3.33Å; E682-T697 HydrophobicContact CB-CG2 4.19Å; E682-T697 WeakPolarHBondContact OE2-CG2 3.32Å
683	T	87.4	Confident	86.2	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-13	177.2	56.7	0	0	0	0	113.2	L673 K677 C680 W687 L698	L673-T683 HydrophobicContact CD1-CG2 4.04Å; K677-T683 WeakPolarHBondContact CA-OG1 3.26Å; K677-T683 CarbonylContact O-C 3.53Å; K677-T683 PolarHBondContact O-OG1 3.49Å; C680-T683 HydrophobicContact CB-CG2 4.31Å; C680-T683 WeakPolarHBondContact CB-OG1 3.48Å; C680-T683 PolarHBondContact O-N 3.06Å; C680-T683 PolarHBondContact O-OG1 2.95Å; C680-T683 VanDerWaalsContact O-OG1 3.1Å; T683-W687 HydrophobicContact CG2-CE3 4.02Å; T683-W687 HydrophobicContact CG2-CZ3 4.23Å; T683-L698 HydrophobicContact CG2-CB 4.41Å
684	W	85.9	Confident	86.2	Confident	102 Å²	102	69.5 Å²	69.5	39%	0.386	36%	0.355	S	S	.	.	S	Bend	trans	-98	138.2	-177.1	-174	-99.6	0	0	0	111.8	K677 S678 C680 P681 I738	K677-W684 HydrophobicContact CD-CE3 4.43Å; K677-W684 HydrophobicContact CG-CE3 4.07Å; K677-W684 HydrophobicContact CG-CZ3 4.26Å; K677-W684 WeakPolarHBondContact O-CB 3.29Å; K677-W684 PolarHBondContact O-N 3.03Å; S678-W684 VanDerWaalsContact CB-CE3 3.5Å; C680-W684 PolarHBondContact O-N 3.45Å; P681-W684 PolarHBondContact O-N 2.96Å; W684-I738 HydrophobicContact CH2-CD1 4.12Å; W684-I738 HydrophobicContact CZ2-CD1 4.25Å
685	P	82.9	Confident	86.5	Confident	75 Å²	75	63.1 Å²	63.1	49%	0.487	33%	0.325	S	S	.	.	S	Bend	cis	-90.9	-24.2	0.8	32.1	-31.5	0	0	0	114.5	K677	K677-P685 WeakPolarHBondContact CD-O 3.49Å; K677-P685 VanDerWaalsContact CE-O 3.28Å; K677-P685 WeakPolarHBondContact CE-O 3.28Å; K677-P685 PolarHBondContact NZ-O 3.17Å
686	N	83.4	Confident	86.9	Confident	114 Å²	114	58.9 Å²	58.9	61%	0.61	31%	0.312	S	S	*	.			trans	-131.8	135.9	-179.3	-70.4	-21	0	0	0	109.4
687	W	84.1	Confident	87.1	Confident	70 Å²	70	60.4 Å²	60.4	27%	0.265	32%	0.322	S	S	.	.			trans	-103.7	125.6	175.7	-177	-101.7	0	0	0	109.6	L673 T683 G689 K690 D693 G694	L673-W687 HydrophobicContact CD2-CB 3.99Å; L673-W687 HydrophobicContact CD2-CG 3.89Å; T683-W687 HydrophobicContact CG2-CE3 4.02Å; T683-W687 HydrophobicContact CG2-CZ3 4.23Å; W687-G689 PolarHBondContact NE1-O 3.09Å; W687-K690 PolarHBondContact NE1-O 3.22Å; W687-D693 HydrophobicContact CZ2-CB 4.27Å; W687-G694 VanDerWaalsContact CZ2-CA 3.41Å
688	N	80.9	Confident	87.2	Confident	158 Å²	158	58.2 Å²	58.2	85%	0.845	31%	0.312	S	S	*	.			trans	-109.3	-1	-176.6	-61.4	-22.3	0	0	0	113.1
689	G	84.6	Confident	87.3	Confident	46 Å²	46	57.9 Å²	57.9	47%	0.474	31%	0.31	S	S	.	.	S	Bend	trans	-88	-173.2	177.7	0	0	0	0	0	113	W687	W687-G689 PolarHBondContact NE1-O 3.09Å
690	K	87.8	Confident	87.4	Confident	155 Å²	155	63.9 Å²	63.9	67%	0.674	34%	0.335	S	S	*	.			trans	-61	142.7	171.3	-67.7	-179.8	179.4	177.5	0	110.2	W687 S692 D693 G694	W687-K690 PolarHBondContact NE1-O 3.22Å; K690-S692 VanDerWaalsContact C-N 3.33Å; K690-S692 PolarHBondContact O-N 2.98Å; K690-D693 HydrophobicContact CB-CB 4.5Å; K690-D693 PolarHBondContact O-N 2.94Å; K690-G694 PolarHBondContact O-N 3.13Å; K690-G694 VanDerWaalsContact O-N 3.14Å
691	L	88.5	Confident	87.4	Confident	79 Å²	79	68.8 Å²	68.8	41%	0.414	36%	0.358	S	S	.	.	H	α-helix	trans	-64.4	-36.9	-176.6	-65	173.3	0	0	0	112.5	E670 L673 D693 G694 V695	E670-L691 HydrophobicContact CB-CD1 3.89Å; L673-L691 HydrophobicContact CD2-CD2 4.1Å; L691-D693 VanDerWaalsContact C-N 3.29Å; L691-D693 PolarHBondContact O-N 2.73Å; L691-G694 PolarHBondContact O-N 3.47Å; L691-V695 WeakPolarHBondContact O-CG2 3.11Å; L691-V695 PolarHBondContact O-N 2.89Å
692	S	88.1	Confident	87.5	Confident	40 Å²	40	67.4 Å²	67.4	28%	0.28	35%	0.345	S	S	.	.	H	α-helix	trans	-57.4	-42.9	174.6	54.5	0	0	0	0	112	K690 V695 S696	K690-S692 VanDerWaalsContact C-N 3.33Å; K690-S692 PolarHBondContact O-N 2.98Å; S692-V695 PolarHBondContact O-N 3.45Å; S692-S696 WeakPolarHBondContact O-CB 3.27Å; S692-S696 PolarHBondContact O-N 3.41Å
693	D	90	Very high	87.5	Confident	81 Å²	81	63.6 Å²	63.6	43%	0.433	34%	0.342	S	S	.	.	H	α-helix	trans	-72.5	-40.1	-176.2	-57.3	-13.7	0	0	0	109.9	W687 K690 L691 V695 S696 T697	W687-D693 HydrophobicContact CZ2-CB 4.27Å; K690-D693 HydrophobicContact CB-CB 4.5Å; K690-D693 PolarHBondContact O-N 2.94Å; L691-D693 VanDerWaalsContact C-N 3.29Å; L691-D693 PolarHBondContact O-N 2.73Å; D693-V695 VanDerWaalsContact C-N 3.34Å; D693-V695 PolarHBondContact O-N 2.95Å; D693-S696 WeakPolarHBondContact O-CB 3.2Å; D693-S696 PolarHBondContact O-N 2.96Å; D693-T697 WeakPolarHBondContact O-CB 3.44Å; D693-T697 PolarHBondContact O-N 2.84Å; D693-T697 PolarHBondContact O-OG1 3.31Å; D693-T697 VanDerWaalsContact O-OG1 3.07Å
694	G	89.4	Confident	87.6	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-61.3	-41.7	174.3	0	0	0	0	0	112.5	W687 K690 L691 L698	W687-G694 VanDerWaalsContact CZ2-CA 3.41Å; K690-G694 PolarHBondContact O-N 3.13Å; K690-G694 VanDerWaalsContact O-N 3.14Å; L691-G694 PolarHBondContact O-N 3.47Å; G694-L698 WeakPolarHBondContact O-CB 3.41Å; G694-L698 PolarHBondContact O-N 2.86Å
695	V	90.4	Very high	87.7	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-68.8	-40	174.7	175.2	0	0	0	0	111.3	Y669 F672 L673 L691 S692 D693 L698 V699 L711 I716	Y669-V695 HydrophobicContact CD1-CB 3.93Å; Y669-V695 HydrophobicContact CD1-CG1 4.02Å; Y669-V695 HydrophobicContact CD1-CG2 3.8Å; Y669-V695 HydrophobicContact CE1-CB 4.42Å; Y669-V695 HydrophobicContact CE1-CG1 4.27Å; Y669-V695 HydrophobicContact CG-CG2 4.3Å; F672-V695 HydrophobicContact CD1-CG1 3.83Å; F672-V695 HydrophobicContact CD1-CG2 4.03Å; F672-V695 HydrophobicContact CE1-CG1 4.06Å; L673-V695 HydrophobicContact CB-CG2 3.94Å; L673-V695 HydrophobicContact CD1-CG2 4.35Å; L691-V695 WeakPolarHBondContact O-CG2 3.11Å; L691-V695 PolarHBondContact O-N 2.89Å; S692-V695 PolarHBondContact O-N 3.45Å; D693-V695 VanDerWaalsContact C-N 3.34Å; D693-V695 PolarHBondContact O-N 2.95Å; V695-L698 PolarHBondContact O-N 3.4Å; V695-V699 HydrophobicContact CG1-CG2 4.13Å; V695-V699 VanDerWaalsContact O-CB 3.32Å; V695-V699 WeakPolarHBondContact O-CB 3.17Å; V695-V699 WeakPolarHBondContact O-CG2 3.36Å; V695-V699 PolarHBondContact O-N 2.96Å; V695-L711 HydrophobicContact CG1-CD2 4.12Å; V695-I716 HydrophobicContact CG1-CB 4.13Å; V695-I716 HydrophobicContact CG1-CD1 3.66Å; V695-I716 HydrophobicContact CG1-CG1 4.4Å; V695-I716 HydrophobicContact CG1-CG2 4.48Å
696	S	90.1	Very high	87.7	Confident	22 Å²	22	66.2 Å²	66.2	15%	0.154	36%	0.359	C	S	.	.	H	α-helix	trans	-60	-45.4	174.8	-171.8	0	0	0	0	112.2	S692 D693 V699 K700	S692-S696 WeakPolarHBondContact O-CB 3.27Å; S692-S696 PolarHBondContact O-N 3.41Å; D693-S696 WeakPolarHBondContact O-CB 3.2Å; D693-S696 PolarHBondContact O-N 2.96Å; S696-V699 PolarHBondContact O-N 3.28Å; S696-K700 WeakPolarHBondContact O-CB 3.38Å; S696-K700 VanDerWaalsContact O-CG 3.26Å; S696-K700 WeakPolarHBondContact O-CG 3.31Å; S696-K700 PolarHBondContact O-N 3.4Å
697	T	90.2	Very high	87.6	Confident	34 Å²	34	65.8 Å²	65.8	21%	0.209	35%	0.353	C	S	.	.	H	α-helix	trans	-62.2	-45.9	176.2	-62	0	0	0	0	111.7	E682 D693 V699 K700 H701	E682-T697 HydrophobicContact CB-CG2 4.19Å; E682-T697 WeakPolarHBondContact OE2-CG2 3.32Å; D693-T697 WeakPolarHBondContact O-CB 3.44Å; D693-T697 PolarHBondContact O-N 2.84Å; D693-T697 PolarHBondContact O-OG1 3.31Å; D693-T697 VanDerWaalsContact O-OG1 3.07Å; T697-V699 PolarHBondContact O-N 2.62Å; T697-K700 PolarHBondContact O-N 2.94Å; T697-H701 WeakPolarHBondContact O-CB 3.46Å; T697-H701 PolarHBondContact O-N 3.32Å
698	L	90.5	Very high	87.6	Confident	1 Å²	1	64.3 Å²	64.3	1%	0.005	35%	0.349	C	S	.	.	H	α-helix	trans	-58.2	-48.8	176.2	174	68.1	0	0	0	111.5	F672 Y676 L679 C680 T683 G694 V695 H701 M702	F672-L698 HydrophobicContact CD1-CD2 4.15Å; F672-L698 HydrophobicContact CE1-CD2 3.72Å; Y676-L698 WeakPolarHBondContact O-CD1 3.29Å; L679-L698 HydrophobicContact CB-CD1 3.87Å; C680-L698 HydrophobicContact CB-CD1 3.78Å; T683-L698 HydrophobicContact CG2-CB 4.41Å; G694-L698 WeakPolarHBondContact O-CB 3.41Å; G694-L698 PolarHBondContact O-N 2.86Å; V695-L698 PolarHBondContact O-N 3.4Å; L698-H701 WeakPolarHBondContact O-CB 3.22Å; L698-H701 PolarHBondContact O-N 2.85Å; L698-M702 HydrophobicContact CD1-CG 4.42Å; L698-M702 VanDerWaalsContact O-CG 3.31Å; L698-M702 WeakPolarHBondContact O-CG 3.44Å; L698-M702 PolarHBondContact O-N 2.75Å
699	V	91.1	Very high	88	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-65	-40.3	-177.6	168.5	0	0	0	0	111.7	V695 S696 T697 M702 G703 Y704 Y709 I716	V695-V699 HydrophobicContact CG1-CG2 4.13Å; V695-V699 VanDerWaalsContact O-CB 3.32Å; V695-V699 WeakPolarHBondContact O-CB 3.17Å; V695-V699 WeakPolarHBondContact O-CG2 3.36Å; V695-V699 PolarHBondContact O-N 2.96Å; S696-V699 PolarHBondContact O-N 3.28Å; T697-V699 PolarHBondContact O-N 2.62Å; V699-M702 PolarHBondContact O-N 3.42Å; V699-G703 PolarHBondContact O-N 3.46Å; V699-Y704 HydrophobicContact CB-CD2 4.36Å; V699-Y704 HydrophobicContact CG1-CD2 3.48Å; V699-Y704 VanDerWaalsContact CG1-CD2 3.48Å; V699-Y704 HydrophobicContact CG1-CE2 4.24Å; V699-Y704 HydrophobicContact CG1-CG 3.65Å; V699-Y704 HydrophobicContact CG2-CD2 4.19Å; V699-Y704 HydrophobicContact CG2-CE2 4.14Å; V699-Y704 PolarHBondContact O-N 3.03Å; V699-Y709 HydrophobicContact CG1-CD1 3.74Å; V699-Y709 HydrophobicContact CG1-CD2 3.96Å; V699-Y709 HydrophobicContact CG1-CE1 3.45Å; V699-Y709 VanDerWaalsContact CG1-CE1 3.45Å; V699-Y709 HydrophobicContact CG1-CE2 3.68Å; V699-Y709 HydrophobicContact CG1-CG 3.99Å; V699-Y709 VanDerWaalsContact CG1-CZ 3.41Å; V699-I716 HydrophobicContact CG2-CD1 3.6Å
700	K	89.7	Confident	88.1	Confident	145 Å²	145	60.9 Å²	60.9	63%	0.63	31%	0.313	S	S	*	.	H	α-helix	trans	-63.2	-42.4	173.2	-73.6	172.9	-176.1	178.1	0	112	S696 T697 M702 G703	S696-K700 WeakPolarHBondContact O-CB 3.38Å; S696-K700 VanDerWaalsContact O-CG 3.26Å; S696-K700 WeakPolarHBondContact O-CG 3.31Å; S696-K700 PolarHBondContact O-N 3.4Å; T697-K700 PolarHBondContact O-N 2.94Å; K700-M702 VanDerWaalsContact C-N 3.3Å; K700-M702 PolarHBondContact O-N 2.91Å; K700-G703 PolarHBondContact O-N 2.93Å; K700-G703 VanDerWaalsContact O-N 3.11Å
701	H	88.7	Confident	88.2	Confident	104 Å²	104	56.6 Å²	56.6	48%	0.481	30%	0.297	S	S	.	.	H	α-helix	trans	-63.9	-36.7	177.3	-172.9	78	0	0	0	112.4	C680 P681 T697 L698 G703	C680-H701 HydrophobicContact CB-CB 4.07Å; P681-H701 WeakPolarHBondContact CD-NE2 3.39Å; T697-H701 WeakPolarHBondContact O-CB 3.46Å; T697-H701 PolarHBondContact O-N 3.32Å; L698-H701 WeakPolarHBondContact O-CB 3.22Å; L698-H701 PolarHBondContact O-N 2.85Å; H701-G703 PolarHBondContact O-N 2.83Å
702	M	87.1	Confident	88.2	Confident	52 Å²	52	53.4 Å²	53.4	26%	0.256	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-8.7	175.6	-68.4	-63.5	-60.5	0	0	113.5	L679 L698 V699 K700 Y704 T727 A730	L679-M702 HydrophobicContact CB-SD 4.1Å; L679-M702 HydrophobicContact CD1-CE 4.31Å; L679-M702 HydrophobicContact CD1-SD 3.93Å; L698-M702 HydrophobicContact CD1-CG 4.42Å; L698-M702 VanDerWaalsContact O-CG 3.31Å; L698-M702 WeakPolarHBondContact O-CG 3.44Å; L698-M702 PolarHBondContact O-N 2.75Å; V699-M702 PolarHBondContact O-N 3.42Å; K700-M702 VanDerWaalsContact C-N 3.3Å; K700-M702 PolarHBondContact O-N 2.91Å; M702-Y704 HydrophobicContact CB-CD1 3.69Å; M702-Y704 HydrophobicContact CB-CE1 3.57Å; M702-Y704 HydrophobicContact CG-CE1 4.33Å; M702-T727 HydrophobicContact CE-CG2 4.2Å; M702-A730 HydrophobicContact CE-CB 3.85Å
703	G	87	Confident	88.2	Confident	57 Å²	57	60.6 Å²	60.6	59%	0.588	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.9	28.2	176.6	0	0	0	0	0	114.6	V699 K700 H701	V699-G703 PolarHBondContact O-N 3.46Å; K700-G703 PolarHBondContact O-N 2.93Å; K700-G703 VanDerWaalsContact O-N 3.11Å; H701-G703 PolarHBondContact O-N 2.83Å
704	Y	89.7	Confident	87.8	Confident	22 Å²	22	59 Å²	59	9%	0.086	30%	0.299	C	S	.	.			trans	-66	139.7	176.7	-70	19.5	0	0	0	110.6	V699 M702 Y709 I718 T723 T727	V699-Y704 HydrophobicContact CB-CD2 4.36Å; V699-Y704 HydrophobicContact CG1-CD2 3.48Å; V699-Y704 VanDerWaalsContact CG1-CD2 3.48Å; V699-Y704 HydrophobicContact CG1-CE2 4.24Å; V699-Y704 HydrophobicContact CG1-CG 3.65Å; V699-Y704 HydrophobicContact CG2-CD2 4.19Å; V699-Y704 HydrophobicContact CG2-CE2 4.14Å; V699-Y704 PolarHBondContact O-N 3.03Å; M702-Y704 HydrophobicContact CB-CD1 3.69Å; M702-Y704 HydrophobicContact CB-CE1 3.57Å; M702-Y704 HydrophobicContact CG-CE1 4.33Å; Y704-Y709 HydrophobicContact CD2-CD1 4.02Å; Y704-Y709 HydrophobicContact CD2-CG 4.26Å; Y704-Y709 HydrophobicContact CG-CD1 4.44Å; Y704-I718 HydrophobicContact CE2-CD1 3.97Å; Y704-I718 HydrophobicContact CE2-CG1 4.37Å; Y704-T723 HydrophobicContact CD1-CG2 3.53Å; Y704-T723 HydrophobicContact CD2-CG2 3.4Å; Y704-T723 VanDerWaalsContact CD2-CG2 3.4Å; Y704-T723 HydrophobicContact CE1-CG2 3.51Å; Y704-T723 HydrophobicContact CE2-CG2 3.4Å; Y704-T723 HydrophobicContact CG-CG2 3.48Å; Y704-T723 VanDerWaalsContact CG-CG2 3.48Å; Y704-T723 VanDerWaalsContact CZ-CG2 3.44Å; Y704-T727 VanDerWaalsContact CE1-OG1 3.31Å; Y704-T727 WeakPolarHBondContact CE1-OG1 3.26Å; Y704-T727 WeakPolarHBondContact OH-CB 3.28Å; Y704-T727 PolarHBondContact OH-OG1 2.87Å
705	K	86.9	Confident	87.7	Confident	113 Å²	113	61 Å²	61	49%	0.491	31%	0.308	S	S	.	.			trans	-81.7	153.7	175.3	-44.6	176.3	179.5	177.8	0	111.3	E707 E708 Y709	K705-E707 HydrophobicContact CB-CG 4.15Å; K705-E707 WeakPolarHBondContact CD-OE1 3.24Å; K705-E707 IonicContact NZ-OE1 2.73Å; K705-E707 PolarHBondContact O-N 2.93Å; K705-E707 VanDerWaalsContact O-N 3.15Å; K705-E708 HydrophobicContact CB-CG 3.91Å; K705-E708 HydrophobicContact CG-CG 4.38Å; K705-E708 WeakPolarHBondContact O-CB 3.14Å; K705-E708 PolarHBondContact O-N 2.83Å; K705-Y709 VanDerWaalsContact O-CD1 3.29Å; K705-Y709 WeakPolarHBondContact O-CD1 3.48Å
706	P	82.7	Confident	87.6	Confident	98 Å²	98	61 Å²	61	64%	0.636	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-22.3	-179.8	-23.8	34.4	0	0	0	115.1	Y709	P706-Y709 VanDerWaalsContact O-O 3.13Å
707	E	82.3	Confident	87.4	Confident	105 Å²	105	59.9 Å²	59.9	49%	0.491	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-20.9	172.7	60.8	-117.6	-165.3	0	0	113.7	K705 R719 F720	K705-E707 HydrophobicContact CB-CG 4.15Å; K705-E707 WeakPolarHBondContact CD-OE1 3.24Å; K705-E707 IonicContact NZ-OE1 2.73Å; K705-E707 PolarHBondContact O-N 2.93Å; K705-E707 VanDerWaalsContact O-N 3.15Å; E707-R719 WeakPolarHBondContact O-CD 3.43Å; E707-F720 HydrophobicContact CG-CE2 4.35Å
708	E	83.8	Confident	87.1	Confident	38 Å²	38	58.3 Å²	58.3	18%	0.178	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-16.3	-173.7	-47.9	-171.3	160.4	0	0	112.8	K705 I718 R719 F720 T723	K705-E708 HydrophobicContact CB-CG 3.91Å; K705-E708 HydrophobicContact CG-CG 4.38Å; K705-E708 WeakPolarHBondContact O-CB 3.14Å; K705-E708 PolarHBondContact O-N 2.83Å; E708-I718 CarbonylContact O-C 3.59Å; E708-I718 WeakPolarHBondContact O-CA 3.36Å; E708-R719 PolarHBondContact O-N 3.2Å; E708-F720 HydrophobicContact CB-CD2 4.02Å; E708-F720 HydrophobicContact CG-CD2 3.8Å; E708-F720 HydrophobicContact CG-CE2 4.21Å; E708-T723 HydrophobicContact CB-CG2 4.23Å; E708-T723 WeakPolarHBondContact OE2-CG2 3.36Å; E708-T723 PolarHBondContact OE2-OG1 2.91Å
709	Y	88.6	Confident	86.4	Confident	35 Å²	35	61.3 Å²	61.3	14%	0.137	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	156.6	-179.9	77.9	-78.1	0	0	0	113.2	V699 Y704 K705 P706 L711 F717	V699-Y709 HydrophobicContact CG1-CD1 3.74Å; V699-Y709 HydrophobicContact CG1-CD2 3.96Å; V699-Y709 HydrophobicContact CG1-CE1 3.45Å; V699-Y709 VanDerWaalsContact CG1-CE1 3.45Å; V699-Y709 HydrophobicContact CG1-CE2 3.68Å; V699-Y709 HydrophobicContact CG1-CG 3.99Å; V699-Y709 VanDerWaalsContact CG1-CZ 3.41Å; Y704-Y709 HydrophobicContact CD2-CD1 4.02Å; Y704-Y709 HydrophobicContact CD2-CG 4.26Å; Y704-Y709 HydrophobicContact CG-CD1 4.44Å; K705-Y709 VanDerWaalsContact O-CD1 3.29Å; K705-Y709 WeakPolarHBondContact O-CD1 3.48Å; P706-Y709 VanDerWaalsContact O-O 3.13Å; Y709-L711 HydrophobicContact CD2-CD2 4.2Å; Y709-L711 HydrophobicContact CD2-CG 4.08Å; Y709-L711 HydrophobicContact CE2-CD1 4.16Å; Y709-L711 HydrophobicContact CE2-CD2 4.26Å; Y709-L711 HydrophobicContact CE2-CG 3.87Å; Y709-F717 CarbonylContact C-O 3.45Å; Y709-F717 WeakPolarHBondContact CA-O 3.48Å; Y709-F717 WeakPolarHBondContact CB-O 2.97Å
710	K	88.3	Confident	85.6	Confident	98 Å²	98	65 Å²	65	43%	0.426	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	146.8	164.5	-66.8	-65	-179.1	176.6	0	109.5	I467 F663 F717	I467-K710 HydrophobicContact CD1-CB 4.37Å; F663-K710 HydrophobicContact CE1-CB 3.85Å; F663-K710 HydrophobicContact CE1-CG 3.53Å; F663-K710 HydrophobicContact CE2-CG 4.27Å; F663-K710 HydrophobicContact CZ-CB 3.75Å; F663-K710 HydrophobicContact CZ-CG 3.24Å; K710-F717 HydrophobicContact CB-CB 4.49Å; K710-F717 PolarHBondContact N-O 2.92Å; K710-F717 PolarHBondContact O-N 3.46Å
711	L	89	Confident	84.3	Confident	64 Å²	64	58.5 Å²	58.5	34%	0.335	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	113.3	174.4	-65.5	177.7	0	0	0	107.3	Y669 V695 Y709 I716	Y669-L711 HydrophobicContact CE1-CD2 3.74Å; Y669-L711 VanDerWaalsContact OH-C 3.3Å; Y669-L711 VanDerWaalsContact OH-CA 3.3Å; Y669-L711 WeakPolarHBondContact OH-CA 3.32Å; Y669-L711 VanDerWaalsContact OH-CB 3.28Å; Y669-L711 WeakPolarHBondContact OH-CB 3.34Å; V695-L711 HydrophobicContact CG1-CD2 4.12Å; Y709-L711 HydrophobicContact CD2-CD2 4.2Å; Y709-L711 HydrophobicContact CD2-CG 4.08Å; Y709-L711 HydrophobicContact CE2-CD1 4.16Å; Y709-L711 HydrophobicContact CE2-CD2 4.26Å; Y709-L711 HydrophobicContact CE2-CG 3.87Å; L711-I716 HydrophobicContact CD2-CB 4.24Å; L711-I716 HydrophobicContact CD2-CD1 4.22Å; L711-I716 HydrophobicContact CD2-CG1 4.05Å
712	G	88.8	Confident	83.4	Confident	12 Å²	12	61.5 Å²	61.5	12%	0.124	30%	0.302	C	S	.	.			trans	-79.8	-168.4	172.6	0	0	0	0	0	112	E465 Y669 K715	E465-G712 CarbonylContact O-C 3.5Å; E465-G712 VanDerWaalsContact O-CA 3.24Å; E465-G712 WeakPolarHBondContact O-CA 3.3Å; Y669-G712 PolarHBondContact OH-N 3.45Å; Y669-G712 VanDerWaalsContact OH-N 3.1Å; Y669-G712 PolarHBondContact OH-O 3.36Å; G712-K715 WeakPolarHBondContact CA-O 3.25Å; G712-K715 PolarHBondContact N-O 3Å
713	R	87.4	Confident	83	Confident	192 Å²	192	59.4 Å²	59.4	73%	0.725	29%	0.293	S	S	*	.	S	Bend	trans	-67.1	-38.9	174.8	-67.8	-177.2	-175.2	172.3	-1.4	112.6	A464 E465	A464-R713 WeakPolarHBondContact O-CD 3.27Å; E465-R713 PolarHBondContact O-N 2.79Å; E465-R713 PolarHBondContact OE2-N 3.14Å
714	S	83.1	Confident	82.3	Confident	48 Å²	48	57.4 Å²	57.4	34%	0.336	27%	0.268	S	S	.	.	S	Bend	trans	-129.7	-15.8	-174	86.7	0	0	0	0	114.6	E465 Y669	E465-S714 PolarHBondContact OE1-OG 3.37Å; E465-S714 PolarHBondContact OE2-N 3.23Å; Y669-S714 VanDerWaalsContact CD2-C 3.48Å; Y669-S714 VanDerWaalsContact CD2-O 3.24Å; Y669-S714 WeakPolarHBondContact CD2-O 3.41Å; Y669-S714 VanDerWaalsContact CE2-C 3.48Å; Y669-S714 PolarHBondContact N-O 2.87Å; Y669-S714 VanDerWaalsContact N-O 3.1Å
715	K	86.6	Confident	81.2	Confident	40 Å²	40	58.6 Å²	58.6	17%	0.174	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	149.3	-174.2	-61.7	166.8	-160.8	172.4	0	112.3	E461 E465 R667 R668 Y669 G712 F717	E461-K715 WeakPolarHBondContact OE1-CD 3.49Å; E461-K715 IonicContact OE1-NZ 3.57Å; E461-K715 PolarHBondContact OE1-NZ 3.04Å; E461-K715 IonicContact OE2-NZ 3.55Å; E461-K715 PolarHBondContact OE2-NZ 3.09Å; E465-K715 WeakPolarHBondContact OE1-CE 3.35Å; E465-K715 PolarHBondContact OE2-N 3.29Å; R667-K715 CarbonylContact O-C 3.57Å; R667-K715 WeakPolarHBondContact O-CA 3.3Å; R667-K715 WeakPolarHBondContact O-CB 3.42Å; R668-K715 HydrophobicContact CG-CG 4.07Å; Y669-K715 WeakPolarHBondContact CE1-O 3.47Å; Y669-K715 PolarHBondContact OH-O 3.15Å; Y669-K715 VanDerWaalsContact OH-O 3.13Å; G712-K715 WeakPolarHBondContact CA-O 3.25Å; G712-K715 PolarHBondContact N-O 3Å; K715-F717 HydrophobicContact CB-CD2 4.22Å; K715-F717 HydrophobicContact CB-CE2 3.67Å; K715-F717 HydrophobicContact CB-CZ 4.3Å; K715-F717 HydrophobicContact CD-CZ 4.45Å
716	I	87.9	Confident	80.7	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	139.1	163	-178.4	167.2	0	0	0	109.4	R666 R667 Y669 F672 V695 V699 L711 I718	R666-I716 VanDerWaalsContact CA-O 3.27Å; R666-I716 WeakPolarHBondContact CA-O 3.5Å; R667-I716 HydrophobicContact CB-CG2 4.43Å; R667-I716 PolarHBondContact N-O 3.41Å; R667-I716 WeakPolarHBondContact O-CG2 3.14Å; R667-I716 PolarHBondContact O-N 3.33Å; Y669-I716 HydrophobicContact CD1-CB 4.22Å; Y669-I716 HydrophobicContact CE1-CB 3.92Å; Y669-I716 VanDerWaalsContact CE1-N 3.35Å; F672-I716 HydrophobicContact CB-CG2 4.04Å; F672-I716 HydrophobicContact CD1-CD1 4.5Å; F672-I716 HydrophobicContact CD1-CG2 4.04Å; F672-I716 HydrophobicContact CD2-CG2 3.69Å; F672-I716 HydrophobicContact CE1-CD1 4.01Å; F672-I716 HydrophobicContact CE1-CG2 4.44Å; F672-I716 HydrophobicContact CE2-CG2 4.14Å; F672-I716 HydrophobicContact CG-CG2 3.64Å; F672-I716 HydrophobicContact CZ-CD1 4.1Å; F672-I716 HydrophobicContact CZ-CG2 4.5Å; V695-I716 HydrophobicContact CG1-CB 4.13Å; V695-I716 HydrophobicContact CG1-CD1 3.66Å; V695-I716 HydrophobicContact CG1-CG1 4.4Å; V695-I716 HydrophobicContact CG1-CG2 4.48Å; V699-I716 HydrophobicContact CG2-CD1 3.6Å; L711-I716 HydrophobicContact CD2-CB 4.24Å; L711-I716 HydrophobicContact CD2-CD1 4.22Å; L711-I716 HydrophobicContact CD2-CG1 4.05Å; I716-I718 HydrophobicContact CD1-CG1 4.28Å; I716-I718 HydrophobicContact CG1-CG1 4.19Å
717	F	86.1	Confident	80.5	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	123.2	177	-72.2	-100.1	0	0	0	109.3	E461 Y462 E465 I467 F663 Y665 R666 Y709 K710 K715	E461-F717 HydrophobicContact CG-CZ 4.39Å; Y462-F717 HydrophobicContact CD1-CE1 4.37Å; Y462-F717 HydrophobicContact CE1-CE1 4.11Å; E465-F717 HydrophobicContact CB-CE2 3.88Å; E465-F717 HydrophobicContact CB-CZ 4.07Å; E465-F717 HydrophobicContact CG-CE2 3.83Å; E465-F717 HydrophobicContact CG-CZ 3.82Å; I467-F717 HydrophobicContact CD1-CB 4.15Å; I467-F717 HydrophobicContact CD1-CD1 4Å; I467-F717 HydrophobicContact CD1-CD2 3.18Å; I467-F717 HydrophobicContact CD1-CE1 4.16Å; I467-F717 HydrophobicContact CD1-CE2 3.36Å; I467-F717 HydrophobicContact CD1-CG 3.52Å; I467-F717 HydrophobicContact CD1-CZ 3.87Å; F663-F717 HydrophobicContact CB-CB 3.8Å; F663-F717 HydrophobicContact CB-CD1 3.83Å; F663-F717 HydrophobicContact CB-CG 4.33Å; F663-F717 HydrophobicContact CD1-CB 3.63Å; F663-F717 HydrophobicContact CD2-CB 3.96Å; F663-F717 HydrophobicContact CD2-CD1 4Å; F663-F717 HydrophobicContact CD2-CG 4.32Å; F663-F717 HydrophobicContact CE1-CB 4.24Å; F663-F717 HydrophobicContact CG-CB 3.51Å; F663-F717 HydrophobicContact CG-CD1 4.03Å; F663-F717 HydrophobicContact CG-CG 4.22Å; Y665-F717 CarbonylContact O-C 3.47Å; Y665-F717 WeakPolarHBondContact O-CA 3.44Å; R666-F717 HydrophobicContact CB-CD1 3.79Å; R666-F717 HydrophobicContact CB-CE1 3.81Å; R666-F717 HydrophobicContact CB-CG 4.36Å; R666-F717 HydrophobicContact CB-CZ 4.38Å; Y709-F717 CarbonylContact C-O 3.45Å; Y709-F717 WeakPolarHBondContact CA-O 3.48Å; Y709-F717 WeakPolarHBondContact CB-O 2.97Å; K710-F717 HydrophobicContact CB-CB 4.49Å; K710-F717 PolarHBondContact N-O 2.92Å; K710-F717 PolarHBondContact O-N 3.46Å; K715-F717 HydrophobicContact CB-CD2 4.22Å; K715-F717 HydrophobicContact CB-CE2 3.67Å; K715-F717 HydrophobicContact CB-CZ 4.3Å; K715-F717 HydrophobicContact CD-CZ 4.45Å
718	I	83.2	Confident	80	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	124.5	-179.8	-57.1	176.5	0	0	0	108.1	F663 A664 Y665 F672 Y704 E708 I716 F720 T723 L724	F663-I718 CarbonylContact C-O 3.52Å; A664-I718 PolarHBondContact N-O 2.83Å; Y665-I718 HydrophobicContact CD1-CB 4.49Å; Y665-I718 HydrophobicContact CD1-CD1 3.9Å; Y665-I718 HydrophobicContact CD1-CG1 4.28Å; Y665-I718 HydrophobicContact CE1-CD1 4.44Å; Y665-I718 PolarHBondContact N-O 3.06Å; Y665-I718 PolarHBondContact O-N 3.44Å; F672-I718 HydrophobicContact CE2-CD1 4.09Å; F672-I718 HydrophobicContact CZ-CD1 4.27Å; Y704-I718 HydrophobicContact CE2-CD1 3.97Å; Y704-I718 HydrophobicContact CE2-CG1 4.37Å; E708-I718 CarbonylContact O-C 3.59Å; E708-I718 WeakPolarHBondContact O-CA 3.36Å; I716-I718 HydrophobicContact CD1-CG1 4.28Å; I716-I718 HydrophobicContact CG1-CG1 4.19Å; I718-F720 WeakPolarHBondContact CG2-O 3.5Å; I718-T723 HydrophobicContact CG2-CG2 4.25Å; I718-L724 HydrophobicContact CD1-CD1 4.25Å
719	R	77.4	Confident	79.4	Confident	64 Å²	64	49.8 Å²	49.8	24%	0.242	24%	0.238	C	C	.	.	S	Bend	trans	-78.2	-46.6	-174.8	-166	171.5	-172	149.2	7.9	111.6	E470 F663 A664 E707 E708	E470-R719 IonicContact OE1-CZ 2.68Å; E470-R719 IonicContact OE1-NH1 3.5Å; E470-R719 PolarHBondContact OE1-NH1 2.91Å; E470-R719 IonicContact OE1-NH2 2.92Å; E470-R719 IonicContact OE2-CZ 3.87Å; E470-R719 IonicContact OE2-NH1 2.73Å; E470-R719 PolarHBondContact OE2-NH1 3.33Å; E470-R719 IonicContact OE2-NH2 2.78Å; E470-R719 PolarHBondContact OE2-NH2 2.86Å; F663-R719 HydrophobicContact CD1-CB 3.93Å; F663-R719 HydrophobicContact CE1-CB 4.14Å; A664-R719 VanDerWaalsContact CB-O 3.27Å; A664-R719 WeakPolarHBondContact CB-O 3.18Å; E707-R719 WeakPolarHBondContact O-CD 3.43Å; E708-R719 PolarHBondContact O-N 3.2Å
720	F	72.8	Confident	79	Confident	77 Å²	77	49.7 Å²	49.7	34%	0.338	24%	0.244	S	C	.	.			trans	-103	128.5	-175.8	-57	-61.6	0	0	0	112.7	E707 E708 I718 K722 T723	E707-F720 HydrophobicContact CG-CE2 4.35Å; E708-F720 HydrophobicContact CB-CD2 4.02Å; E708-F720 HydrophobicContact CG-CD2 3.8Å; E708-F720 HydrophobicContact CG-CE2 4.21Å; I718-F720 WeakPolarHBondContact CG2-O 3.5Å; F720-K722 PolarHBondContact O-N 2.84Å; F720-T723 WeakPolarHBondContact O-CB 3.44Å; F720-T723 PolarHBondContact O-N 3.36Å
721	P	63.8	Low	78.5	Confident	9 Å²	9	45.4 Å²	45.4	6%	0.058	23%	0.226	C	C	.	.	H	α-helix	trans	-54	-35.4	172.7	-30.1	36.4	0	0	0	114.3	V57 L58 A664 T723 L724 F725	V57-P721 WeakPolarHBondContact O-CG 3.47Å; L58-P721 HydrophobicContact CB-CB 4.11Å; L58-P721 HydrophobicContact CB-CG 4.44Å; L58-P721 HydrophobicContact CD2-CB 3.64Å; L58-P721 HydrophobicContact CD2-CG 3.98Å; L58-P721 HydrophobicContact CG-CB 4.49Å; A664-P721 HydrophobicContact CB-CG 4.12Å; P721-T723 VanDerWaalsContact C-N 3.26Å; P721-T723 PolarHBondContact O-N 2.85Å; P721-L724 WeakPolarHBondContact O-CB 3.3Å; P721-L724 PolarHBondContact O-N 2.82Å; P721-L724 VanDerWaalsContact O-N 3.12Å; P721-F725 HydrophobicContact CB-CD2 4.26Å; P721-F725 HydrophobicContact CB-CE2 3.98Å; P721-F725 WeakPolarHBondContact O-CD2 3.35Å; P721-F725 PolarHBondContact O-N 2.57Å
722	K	69.1	Low	77.6	Confident	166 Å²	166	44.2 Å²	44.2	72%	0.722	22%	0.219	S	C	*	.	H	α-helix	trans	-55.9	-42.1	179.5	-175.6	178	179.2	178.4	0	111.9	F720 F725 A726	F720-K722 PolarHBondContact O-N 2.84Å; K722-F725 PolarHBondContact O-N 3.39Å; K722-A726 WeakPolarHBondContact O-CB 3.32Å; K722-A726 PolarHBondContact O-N 3.44Å
723	T	79.3	Confident	77.2	Confident	9 Å²	9	48.6 Å²	48.6	6%	0.055	24%	0.243	C	C	.	.	H	α-helix	trans	-65.4	-39.1	179.2	-51.3	0	0	0	0	111.5	Y704 E708 I718 F720 P721 T727	Y704-T723 HydrophobicContact CD1-CG2 3.53Å; Y704-T723 HydrophobicContact CD2-CG2 3.4Å; Y704-T723 VanDerWaalsContact CD2-CG2 3.4Å; Y704-T723 HydrophobicContact CE1-CG2 3.51Å; Y704-T723 HydrophobicContact CE2-CG2 3.4Å; Y704-T723 HydrophobicContact CG-CG2 3.48Å; Y704-T723 VanDerWaalsContact CG-CG2 3.48Å; Y704-T723 VanDerWaalsContact CZ-CG2 3.44Å; E708-T723 HydrophobicContact CB-CG2 4.23Å; E708-T723 WeakPolarHBondContact OE2-CG2 3.36Å; E708-T723 PolarHBondContact OE2-OG1 2.91Å; I718-T723 HydrophobicContact CG2-CG2 4.25Å; F720-T723 WeakPolarHBondContact O-CB 3.44Å; F720-T723 PolarHBondContact O-N 3.36Å; P721-T723 VanDerWaalsContact C-N 3.26Å; P721-T723 PolarHBondContact O-N 2.85Å; T723-T727 PolarHBondContact O-N 3.21Å; T723-T727 PolarHBondContact O-OG1 2.82Å
724	L	71.6	Confident	76.9	Confident	15 Å²	15	43.2 Å²	43.2	8%	0.079	22%	0.223	C	C	.	.	H	α-helix	trans	-66.5	-45.9	174.4	180	66.7	0	0	0	111.6	Y665 I718 P721 T727 E728	Y665-L724 HydrophobicContact CD1-CD1 4.01Å; Y665-L724 HydrophobicContact CD1-CD2 4.41Å; Y665-L724 HydrophobicContact CD2-CD1 4.34Å; Y665-L724 HydrophobicContact CD2-CD2 3.53Å; Y665-L724 HydrophobicContact CE1-CD1 3.97Å; Y665-L724 HydrophobicContact CE2-CD1 4.3Å; Y665-L724 HydrophobicContact CE2-CD2 4.03Å; Y665-L724 HydrophobicContact CG-CD1 4.18Å; Y665-L724 HydrophobicContact CG-CD2 3.73Å; I718-L724 HydrophobicContact CD1-CD1 4.25Å; P721-L724 WeakPolarHBondContact O-CB 3.3Å; P721-L724 PolarHBondContact O-N 2.82Å; P721-L724 VanDerWaalsContact O-N 3.12Å; L724-T727 WeakPolarHBondContact O-CB 3.31Å; L724-T727 PolarHBondContact O-N 2.9Å; L724-T727 VanDerWaalsContact O-N 3.12Å; L724-E728 PolarHBondContact O-N 3.13Å; L724-E728 VanDerWaalsContact O-N 3.07Å
725	F	66	Low	76.7	Confident	47 Å²	47	45.5 Å²	45.5	21%	0.206	23%	0.226	C	C	.	.	H	α-helix	trans	-63.6	-44.6	-179.7	-71.6	-54.7	0	0	0	112.6	L58 P721 K722 T727 E728 D729	L58-F725 HydrophobicContact CB-CE2 3.84Å; L58-F725 HydrophobicContact CB-CZ 3.74Å; L58-F725 HydrophobicContact CD1-CE1 4.22Å; L58-F725 HydrophobicContact CD1-CE2 4.44Å; L58-F725 HydrophobicContact CD1-CZ 3.61Å; L58-F725 HydrophobicContact CD2-CE2 4.32Å; L58-F725 HydrophobicContact CD2-CZ 4.21Å; L58-F725 HydrophobicContact CG-CE2 4.41Å; L58-F725 HydrophobicContact CG-CZ 4.04Å; P721-F725 HydrophobicContact CB-CD2 4.26Å; P721-F725 HydrophobicContact CB-CE2 3.98Å; P721-F725 WeakPolarHBondContact O-CD2 3.35Å; P721-F725 PolarHBondContact O-N 2.57Å; K722-F725 PolarHBondContact O-N 3.39Å; F725-T727 PolarHBondContact O-N 3.31Å; F725-E728 PolarHBondContact O-N 3.35Å; F725-E728 VanDerWaalsContact O-N 3.09Å; F725-D729 VanDerWaalsContact O-CG 3.3Å; F725-D729 PolarHBondContact O-N 3.39Å
726	A	77.6	Confident	76.4	Confident	54 Å²	54	49.5 Å²	49.5	45%	0.446	25%	0.246	S	C	.	.	H	α-helix	trans	-55.1	-30.7	175.3	0	0	0	0	0	112.2	K722 A730	K722-A726 WeakPolarHBondContact O-CB 3.32Å; K722-A726 PolarHBondContact O-N 3.44Å; A726-A730 WeakPolarHBondContact O-CB 3.02Å; A726-A730 PolarHBondContact O-N 2.83Å; A726-A730 VanDerWaalsContact O-N 3.12Å
727	T	78.8	Confident	76.3	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-80.5	-36.4	-179.9	-58.3	0	0	0	0	113.1	Y676 L679 M702 Y704 T723 L724 F725 L731	Y676-T727 HydrophobicContact CD1-CG2 3.79Å; Y676-T727 HydrophobicContact CE1-CG2 3.98Å; Y676-T727 HydrophobicContact CG-CG2 4.2Å; L679-T727 HydrophobicContact CD1-CG2 3.63Å; M702-T727 HydrophobicContact CE-CG2 4.2Å; Y704-T727 VanDerWaalsContact CE1-OG1 3.31Å; Y704-T727 WeakPolarHBondContact CE1-OG1 3.26Å; Y704-T727 WeakPolarHBondContact OH-CB 3.28Å; Y704-T727 PolarHBondContact OH-OG1 2.87Å; T723-T727 PolarHBondContact O-N 3.21Å; T723-T727 PolarHBondContact O-OG1 2.82Å; L724-T727 WeakPolarHBondContact O-CB 3.31Å; L724-T727 PolarHBondContact O-N 2.9Å; L724-T727 VanDerWaalsContact O-N 3.12Å; F725-T727 PolarHBondContact O-N 3.31Å; T727-L731 WeakPolarHBondContact O-CB 3.22Å; T727-L731 PolarHBondContact O-N 2.91Å
728	E	71.3	Confident	76.3	Confident	42 Å²	42	53.2 Å²	53.2	20%	0.196	27%	0.273	C	S	.	.	H	α-helix	trans	-67.3	-42.4	170.5	-77.2	-73.8	-175.3	0	0	111.4	R675 Y676 L724 F725 A730 L731 E732	R675-E728 IonicContact CZ-OE1 2.8Å; R675-E728 VanDerWaalsContact CZ-OE1 3.26Å; R675-E728 IonicContact NE-OE1 3.77Å; R675-E728 PolarHBondContact NE-OE1 3.42Å; R675-E728 IonicContact NE-OE2 2.7Å; R675-E728 IonicContact NH2-OE1 3.58Å; R675-E728 PolarHBondContact NH2-OE1 3.48Å; R675-E728 IonicContact NH2-OE2 3.3Å; R675-E728 PolarHBondContact NH2-OE2 3.39Å; Y676-E728 HydrophobicContact CE1-CG 4.29Å; Y676-E728 PolarHBondContact OH-OE1 2.84Å; L724-E728 PolarHBondContact O-N 3.13Å; L724-E728 VanDerWaalsContact O-N 3.07Å; F725-E728 PolarHBondContact O-N 3.35Å; F725-E728 VanDerWaalsContact O-N 3.09Å; E728-A730 VanDerWaalsContact C-N 3.32Å; E728-A730 PolarHBondContact O-N 3.13Å; E728-L731 WeakPolarHBondContact O-CA 3.36Å; E728-L731 WeakPolarHBondContact O-CB 3.11Å; E728-L731 PolarHBondContact O-N 3.42Å; E728-E732 PolarHBondContact O-N 2.98Å
729	D	71.4	Confident	76.4	Confident	72 Å²	72	55 Å²	55	39%	0.385	29%	0.288	S	S	.	.	H	α-helix	trans	-60.6	-42.3	176.7	-67.2	-19.7	0	0	0	111.5	F725 L731 E732 T733	F725-D729 VanDerWaalsContact O-CG 3.3Å; F725-D729 PolarHBondContact O-N 3.39Å; D729-L731 VanDerWaalsContact C-N 3.31Å; D729-L731 PolarHBondContact O-N 2.82Å; D729-E732 PolarHBondContact O-N 3.22Å; D729-T733 PolarHBondContact O-N 3.09Å; D729-T733 VanDerWaalsContact O-N 3.09Å; D729-T733 PolarHBondContact O-OG1 3.03Å
730	A	80.4	Confident	77.1	Confident	33 Å²	33	56.1 Å²	56.1	27%	0.273	30%	0.302	S	S	.	.	H	α-helix	trans	-62.5	-39.1	173.2	0	0	0	0	0	111.8	L679 M702 A726 E728 E732 R734	L679-A730 HydrophobicContact CD1-CB 4.5Å; L679-A730 HydrophobicContact CD2-CB 3.76Å; L679-A730 WeakPolarHBondContact CD2-O 3.39Å; M702-A730 HydrophobicContact CE-CB 3.85Å; A726-A730 WeakPolarHBondContact O-CB 3.02Å; A726-A730 PolarHBondContact O-N 2.83Å; A726-A730 VanDerWaalsContact O-N 3.12Å; E728-A730 VanDerWaalsContact C-N 3.32Å; E728-A730 PolarHBondContact O-N 3.13Å; A730-E732 VanDerWaalsContact C-N 3.35Å; A730-R734 WeakPolarHBondContact O-CB 3.3Å; A730-R734 PolarHBondContact O-N 3.24Å
731	L	76.4	Confident	77.9	Confident	8 Å²	8	59.1 Å²	59.1	4%	0.042	32%	0.315	C	S	.	.	H	α-helix	trans	-68.1	-40.4	-178.4	179	65.4	0	0	0	110.4	R675 Y676 S678 L679 T727 E728 D729 R734 K735	R675-L731 HydrophobicContact CG-CD2 4.06Å; Y676-L731 HydrophobicContact CD1-CB 4.38Å; Y676-L731 HydrophobicContact CD1-CD2 3.82Å; Y676-L731 HydrophobicContact CE1-CD2 3.84Å; S678-L731 VanDerWaalsContact OG-CD1 3.28Å; S678-L731 WeakPolarHBondContact OG-CD1 3.27Å; L679-L731 HydrophobicContact CD1-CB 4.41Å; L679-L731 VanDerWaalsContact CD2-CA 3.49Å; L679-L731 HydrophobicContact CD2-CB 4.12Å; L679-L731 HydrophobicContact CD2-CD1 4.44Å; L679-L731 HydrophobicContact CG-CB 4.48Å; L679-L731 HydrophobicContact CG-CD1 4.39Å; T727-L731 WeakPolarHBondContact O-CB 3.22Å; T727-L731 PolarHBondContact O-N 2.91Å; E728-L731 WeakPolarHBondContact O-CA 3.36Å; E728-L731 WeakPolarHBondContact O-CB 3.11Å; E728-L731 PolarHBondContact O-N 3.42Å; D729-L731 VanDerWaalsContact C-N 3.31Å; D729-L731 PolarHBondContact O-N 2.82Å; L731-R734 WeakPolarHBondContact O-CB 3.47Å; L731-R734 PolarHBondContact O-N 3.41Å; L731-K735 WeakPolarHBondContact O-CG 3.26Å; L731-K735 PolarHBondContact O-N 3.27Å
732	E	70.2	Confident	79.1	Confident	40 Å²	40	64.6 Å²	64.6	19%	0.187	34%	0.343	C	S	.	.	H	α-helix	trans	-63	-48	177.6	-165	159.2	163	0	0	111.8	M41 E728 D729 A730 R734 K735 H736	M41-E732 WeakPolarHBondContact CB-OE1 3.44Å; M41-E732 HydrophobicContact CE-CG 3.96Å; M41-E732 WeakPolarHBondContact CE-OE1 3.45Å; M41-E732 VanDerWaalsContact CE-OE2 3.26Å; M41-E732 WeakPolarHBondContact CE-OE2 3.37Å; M41-E732 WeakPolarHBondContact CG-OE1 3.4Å; E728-E732 PolarHBondContact O-N 2.98Å; D729-E732 PolarHBondContact O-N 3.22Å; A730-E732 VanDerWaalsContact C-N 3.35Å; E732-R734 PolarHBondContact O-N 3.11Å; E732-K735 WeakPolarHBondContact O-CB 3.4Å; E732-K735 PolarHBondContact O-N 2.85Å; E732-K735 VanDerWaalsContact O-N 3.14Å; E732-H736 PolarHBondContact O-CD2 2.74Å
733	T	80.3	Confident	80.1	Confident	103 Å²	103	62 Å²	62	63%	0.632	33%	0.334	S	S	*	.	H	α-helix	trans	-56.8	-41.4	173.1	-54.7	0	0	0	0	111.2	D729 K735 H736	D729-T733 PolarHBondContact O-N 3.09Å; D729-T733 VanDerWaalsContact O-N 3.09Å; D729-T733 PolarHBondContact O-OG1 3.03Å; T733-K735 PolarHBondContact O-N 3.24Å; T733-H736 PolarHBondContact O-N 3.34Å
734	R	82.6	Confident	80.8	Confident	79 Å²	79	64.5 Å²	64.5	30%	0.298	36%	0.355	S	S	.	.	H	α-helix	trans	-66.7	-34.6	179.2	-174.2	58.5	166.8	-167.3	-5.7	113.3	S678 L679 A730 L731 E732 H736 G737 I738	S678-R734 PolarHBondContact O-NE 2.88Å; S678-R734 PolarHBondContact O-NH2 3.39Å; L679-R734 HydrophobicContact CD2-CB 4.16Å; A730-R734 WeakPolarHBondContact O-CB 3.3Å; A730-R734 PolarHBondContact O-N 3.24Å; L731-R734 WeakPolarHBondContact O-CB 3.47Å; L731-R734 PolarHBondContact O-N 3.41Å; E732-R734 PolarHBondContact O-N 3.11Å; R734-H736 VanDerWaalsContact C-N 3.31Å; R734-H736 PolarHBondContact O-N 2.75Å; R734-G737 WeakPolarHBondContact O-CA 3.49Å; R734-G737 PolarHBondContact O-N 3.04Å; R734-G737 VanDerWaalsContact O-N 3.08Å; R734-I738 HydrophobicContact CG-CD1 4.27Å; R734-I738 PolarHBondContact O-N 2.98Å
735	K	78.5	Confident	81.8	Confident	96 Å²	96	66 Å²	66	42%	0.417	37%	0.374	S	S	.	.	H	α-helix	trans	-57.3	-42.8	176.9	-74.3	170	-173.5	163.1	0	111.6	L731 E732 T733 G737 I738 A739	L731-K735 WeakPolarHBondContact O-CG 3.26Å; L731-K735 PolarHBondContact O-N 3.27Å; E732-K735 WeakPolarHBondContact O-CB 3.4Å; E732-K735 PolarHBondContact O-N 2.85Å; E732-K735 VanDerWaalsContact O-N 3.14Å; T733-K735 PolarHBondContact O-N 3.24Å; K735-G737 VanDerWaalsContact C-N 3.3Å; K735-G737 PolarHBondContact O-N 3.5Å; K735-I738 PolarHBondContact O-N 3.48Å; K735-A739 WeakPolarHBondContact O-CB 3.28Å; K735-A739 PolarHBondContact O-N 3.08Å
736	H	80.5	Confident	83.1	Confident	125 Å²	125	71.8 Å²	71.8	58%	0.579	40%	0.395	S	S	*	.	H	α-helix	trans	-60.1	-40.2	175.6	-66.6	-66.5	0	0	0	112.1	E732 T733 R734 A739 T740	E732-H736 PolarHBondContact O-CD2 2.74Å; T733-H736 PolarHBondContact O-N 3.34Å; R734-H736 VanDerWaalsContact C-N 3.31Å; R734-H736 PolarHBondContact O-N 2.75Å; H736-A739 PolarHBondContact O-N 3Å; H736-T740 WeakPolarHBondContact O-CB 3.32Å; H736-T740 PolarHBondContact O-N 2.78Å; H736-T740 PolarHBondContact O-OG1 3.04Å
737	G	85.5	Confident	83.8	Confident	34 Å²	34	76.2 Å²	76.2	35%	0.351	40%	0.404	S	S	.	.	H	α-helix	trans	-63.5	-42.1	175.2	0	0	0	0	0	113.3	R734 K735 T740 K741	R734-G737 WeakPolarHBondContact O-CA 3.49Å; R734-G737 PolarHBondContact O-N 3.04Å; R734-G737 VanDerWaalsContact O-N 3.08Å; K735-G737 VanDerWaalsContact C-N 3.3Å; K735-G737 PolarHBondContact O-N 3.5Å; G737-T740 PolarHBondContact O-N 2.93Å; G737-K741 WeakPolarHBondContact O-CG 3.42Å; G737-K741 PolarHBondContact O-N 2.66Å; G737-K741 VanDerWaalsContact O-N 3.1Å
738	I	86.3	Confident	84.6	Confident	43 Å²	43	78.2 Å²	78.2	22%	0.221	42%	0.424	C	S	.	.	H	α-helix	trans	-65.9	-45.9	176.5	-63.7	170	0	0	0	110.6	W684 R734 K735 T740 K741 L742	W684-I738 HydrophobicContact CH2-CD1 4.12Å; W684-I738 HydrophobicContact CZ2-CD1 4.25Å; R734-I738 HydrophobicContact CG-CD1 4.27Å; R734-I738 PolarHBondContact O-N 2.98Å; K735-I738 PolarHBondContact O-N 3.48Å; I738-T740 VanDerWaalsContact C-N 3.27Å; I738-T740 PolarHBondContact O-N 2.85Å; I738-K741 PolarHBondContact O-N 3.19Å; I738-K741 VanDerWaalsContact O-N 3.15Å; I738-L742 HydrophobicContact CG2-CD1 4.13Å; I738-L742 HydrophobicContact CG2-CG 4.49Å; I738-L742 PolarHBondContact O-N 3.26Å
739	A	85.1	Confident	85.7	Confident	40 Å²	40	82.9 Å²	82.9	33%	0.331	44%	0.441	S	S	.	.	H	α-helix	trans	-57.6	-42.4	176.7	0	0	0	0	0	111.4	K735 H736 K741 L742 Q743	K735-A739 WeakPolarHBondContact O-CB 3.28Å; K735-A739 PolarHBondContact O-N 3.08Å; H736-A739 PolarHBondContact O-N 3Å; A739-K741 PolarHBondContact O-N 2.87Å; A739-L742 PolarHBondContact O-N 3.3Å; A739-Q743 WeakPolarHBondContact O-CB 3.46Å; A739-Q743 VanDerWaalsContact O-CG 3.23Å; A739-Q743 WeakPolarHBondContact O-CG 3.27Å; A739-Q743 PolarHBondContact O-N 2.89Å
740	T	91.1	Very high	86.7	Confident	86 Å²	86	81.9 Å²	81.9	53%	0.528	44%	0.439	S	S	.	.	H	α-helix	trans	-61.7	-43.7	176.4	-56.6	0	0	0	0	111.8	H736 G737 I738 Q743 A744	H736-T740 WeakPolarHBondContact O-CB 3.32Å; H736-T740 PolarHBondContact O-N 2.78Å; H736-T740 PolarHBondContact O-OG1 3.04Å; G737-T740 PolarHBondContact O-N 2.93Å; I738-T740 VanDerWaalsContact C-N 3.27Å; I738-T740 PolarHBondContact O-N 2.85Å; T740-Q743 PolarHBondContact O-N 3.47Å; T740-A744 VanDerWaalsContact O-CB 3.3Å; T740-A744 WeakPolarHBondContact O-CB 3.44Å; T740-A744 PolarHBondContact O-N 2.92Å
741	K	89.3	Confident	87.4	Confident	141 Å²	141	86.1 Å²	86.1	61%	0.613	45%	0.453	S	S	*	.	H	α-helix	trans	-62.4	-43.4	176	-72.6	178.8	179	-178.3	0	112.1	G737 I738 A739 A744 G745	G737-K741 WeakPolarHBondContact O-CG 3.42Å; G737-K741 PolarHBondContact O-N 2.66Å; G737-K741 VanDerWaalsContact O-N 3.1Å; I738-K741 PolarHBondContact O-N 3.19Å; I738-K741 VanDerWaalsContact O-N 3.15Å; A739-K741 PolarHBondContact O-N 2.87Å; K741-A744 PolarHBondContact O-N 3.22Å; K741-G745 PolarHBondContact O-N 2.94Å
742	L	90.1	Very high	88.3	Confident	123 Å²	123	92 Å²	92	64%	0.644	48%	0.478	S	S	*	.	H	α-helix	trans	-64	-46	176.8	-72.1	172.3	0	0	0	111.6	I738 A739 A744 G745 W746	I738-L742 HydrophobicContact CG2-CD1 4.13Å; I738-L742 HydrophobicContact CG2-CG 4.49Å; I738-L742 PolarHBondContact O-N 3.26Å; A739-L742 PolarHBondContact O-N 3.3Å; L742-A744 PolarHBondContact O-N 3.37Å; L742-G745 PolarHBondContact O-N 2.81Å; L742-W746 WeakPolarHBondContact O-CB 3.29Å; L742-W746 PolarHBondContact O-N 2.66Å
743	Q	90	Very high	89.4	Confident	113 Å²	113	91.9 Å²	91.9	53%	0.528	48%	0.481	S	S	.	.	H	α-helix	trans	-62.1	-42.4	177	-73.9	173.6	-5.9	0	0	111.9	A739 T740 W746 K747	A739-Q743 WeakPolarHBondContact O-CB 3.46Å; A739-Q743 VanDerWaalsContact O-CG 3.23Å; A739-Q743 WeakPolarHBondContact O-CG 3.27Å; A739-Q743 PolarHBondContact O-N 2.89Å; T740-Q743 PolarHBondContact O-N 3.47Å; Q743-W746 PolarHBondContact O-N 3.45Å; Q743-K747 WeakPolarHBondContact O-CB 3.46Å; Q743-K747 VanDerWaalsContact O-CG 3.25Å; Q743-K747 WeakPolarHBondContact O-CG 3.41Å; Q743-K747 PolarHBondContact O-N 3.4Å
744	A	93.4	Very high	90	Very high	61 Å²	61	93.2 Å²	93.2	50%	0.504	48%	0.478	S	S	.	.	H	α-helix	trans	-63.9	-44.7	176.2	0	0	0	0	0	111.5	T740 K741 L742 K747 G748	T740-A744 VanDerWaalsContact O-CB 3.3Å; T740-A744 WeakPolarHBondContact O-CB 3.44Å; T740-A744 PolarHBondContact O-N 2.92Å; K741-A744 PolarHBondContact O-N 3.22Å; L742-A744 PolarHBondContact O-N 3.37Å; A744-K747 PolarHBondContact O-N 2.81Å; A744-G748 PolarHBondContact O-N 3.23Å
745	G	94.1	Very high	90.6	Very high	47 Å²	47	96.3 Å²	96.3	49%	0.485	49%	0.49	S	S	.	.	H	α-helix	trans	-59.8	-46.2	175.1	0	0	0	0	0	112.5	K741 L742 G748 Y749	K741-G745 PolarHBondContact O-N 2.94Å; L742-G745 PolarHBondContact O-N 2.81Å; G745-G748 PolarHBondContact O-N 3.01Å; G745-Y749 WeakPolarHBondContact O-CB 3.23Å; G745-Y749 PolarHBondContact O-N 2.84Å
746	W	92.3	Very high	91.4	Very high	167 Å²	167	96.3 Å²	96.3	63%	0.633	49%	0.492	S	S	*	.	H	α-helix	trans	-63.5	-49.3	176.6	176.7	-108.2	0	0	0	112.5	L742 Q743 G748 Y749 C750	L742-W746 WeakPolarHBondContact O-CB 3.29Å; L742-W746 PolarHBondContact O-N 2.66Å; Q743-W746 PolarHBondContact O-N 3.45Å; W746-G748 VanDerWaalsContact C-N 3.29Å; W746-G748 PolarHBondContact O-N 2.94Å; W746-Y749 HydrophobicContact CE3-CD1 4.29Å; W746-Y749 HydrophobicContact CZ3-CD1 4.12Å; W746-Y749 HydrophobicContact CZ3-CE1 4.41Å; W746-Y749 PolarHBondContact O-N 2.99Å; W746-C750 VanDerWaalsContact CZ2-SG 3.56Å; W746-C750 PolarHBondContact O-N 3.38Å; W746-C750 PolarHBondContact O-SG 3.33Å; W746-C750 VanDerWaalsContact O-SG 3.42Å
747	K	92.3	Very high	92	Very high	148 Å²	148	97.3 Å²	97.3	64%	0.643	50%	0.495	S	S	*	.	H	α-helix	trans	-58.7	-42.8	176.9	-75	175.7	179.2	-179.9	0	111.2	Q743 A744 C750 Q751	Q743-K747 WeakPolarHBondContact O-CB 3.46Å; Q743-K747 VanDerWaalsContact O-CG 3.25Å; Q743-K747 WeakPolarHBondContact O-CG 3.41Å; Q743-K747 PolarHBondContact O-N 3.4Å; A744-K747 PolarHBondContact O-N 2.81Å; K747-C750 PolarHBondContact O-N 2.85Å; K747-Q751 WeakPolarHBondContact O-CB 3.37Å; K747-Q751 PolarHBondContact O-N 2.8Å
748	G	95.3	Very high	92.4	Very high	41 Å²	41	100.9 Å²	100.9	42%	0.423	51%	0.505	S	S	.	.	H	α-helix	trans	-61.4	-46.3	174.7	0	0	0	0	0	112.5	A744 G745 W746 Q751 K752	A744-G748 PolarHBondContact O-N 3.23Å; G745-G748 PolarHBondContact O-N 3.01Å; W746-G748 VanDerWaalsContact C-N 3.29Å; W746-G748 PolarHBondContact O-N 2.94Å; G748-Q751 PolarHBondContact O-N 3.07Å; G748-K752 VanDerWaalsContact O-CB 3.3Å; G748-K752 WeakPolarHBondContact O-CB 3.12Å; G748-K752 PolarHBondContact O-N 3.1Å
749	Y	94	Very high	92.8	Very high	140 Å²	140	105.9 Å²	105.9	55%	0.549	52%	0.521	S	S	.	.	H	α-helix	trans	-60.8	-49.3	175.8	175.1	-97.8	0	0	0	112.1	G745 W746 Q751 K752 T753	G745-Y749 WeakPolarHBondContact O-CB 3.23Å; G745-Y749 PolarHBondContact O-N 2.84Å; W746-Y749 HydrophobicContact CE3-CD1 4.29Å; W746-Y749 HydrophobicContact CZ3-CD1 4.12Å; W746-Y749 HydrophobicContact CZ3-CE1 4.41Å; W746-Y749 PolarHBondContact O-N 2.99Å; Y749-Q751 VanDerWaalsContact C-N 3.32Å; Y749-Q751 PolarHBondContact O-N 2.77Å; Y749-K752 PolarHBondContact O-N 2.89Å; Y749-T753 WeakPolarHBondContact O-CB 3.39Å; Y749-T753 PolarHBondContact O-N 3.06Å; Y749-T753 PolarHBondContact O-OG1 2.95Å
750	C	93.9	Very high	93.3	Very high	51 Å²	51	108.7 Å²	108.7	35%	0.345	53%	0.534	S	S	.	.	H	α-helix	trans	-56.5	-46.4	177.4	-73.8	0	0	0	0	111.8	W746 K747 T753 K754	W746-C750 VanDerWaalsContact CZ2-SG 3.56Å; W746-C750 PolarHBondContact O-N 3.38Å; W746-C750 PolarHBondContact O-SG 3.33Å; W746-C750 VanDerWaalsContact O-SG 3.42Å; K747-C750 PolarHBondContact O-N 2.85Å; C750-T753 PolarHBondContact O-N 3.48Å; C750-K754 WeakPolarHBondContact O-CB 3.23Å; C750-K754 PolarHBondContact O-N 3.29Å
751	Q	94.6	Very high	93.4	Very high	122 Å²	122	107.9 Å²	107.9	57%	0.57	53%	0.532	S	S	*	.	H	α-helix	trans	-68.3	-40.1	-179.7	-171.8	60.8	16.4	0	0	112	K747 G748 Y749 K754 Y755	K747-Q751 WeakPolarHBondContact O-CB 3.37Å; K747-Q751 PolarHBondContact O-N 2.8Å; G748-Q751 PolarHBondContact O-N 3.07Å; Y749-Q751 VanDerWaalsContact C-N 3.32Å; Y749-Q751 PolarHBondContact O-N 2.77Å; Q751-K754 PolarHBondContact O-N 3.31Å; Q751-Y755 WeakPolarHBondContact O-CB 3.36Å; Q751-Y755 PolarHBondContact O-N 3.12Å
752	K	94.4	Very high	93.7	Very high	131 Å²	131	103.3 Å²	103.3	57%	0.57	52%	0.52	S	S	*	.	H	α-helix	trans	-60.3	-46.1	174.9	-175.1	177.1	-179.9	179.6	0	111.3	G748 Y749 Y755 Q756	G748-K752 VanDerWaalsContact O-CB 3.3Å; G748-K752 WeakPolarHBondContact O-CB 3.12Å; G748-K752 PolarHBondContact O-N 3.1Å; Y749-K752 PolarHBondContact O-N 2.89Å; K752-Y755 PolarHBondContact O-N 2.96Å; K752-Q756 WeakPolarHBondContact O-CB 3.42Å; K752-Q756 WeakPolarHBondContact O-CG 3.4Å; K752-Q756 PolarHBondContact O-N 3.34Å
753	T	93.1	Very high	94	Very high	38 Å²	38	101.3 Å²	101.3	23%	0.233	51%	0.51	C	S	.	.	H	α-helix	trans	-63.3	-42.8	177.9	-60.1	0	0	0	0	111.6	Y749 C750 Q756 K757	Y749-T753 WeakPolarHBondContact O-CB 3.39Å; Y749-T753 PolarHBondContact O-N 3.06Å; Y749-T753 PolarHBondContact O-OG1 2.95Å; C750-T753 PolarHBondContact O-N 3.48Å; T753-Q756 PolarHBondContact O-N 3.36Å; T753-K757 WeakPolarHBondContact O-CG 3.28Å; T753-K757 PolarHBondContact O-N 3.42Å; T753-K757 VanDerWaalsContact O-N 3.11Å
754	K	93.7	Very high	94.2	Very high	131 Å²	131	98.1 Å²	98.1	57%	0.57	50%	0.502	S	S	*	.	H	α-helix	trans	-62.1	-45.7	175.2	-173	176.1	-179.1	177.9	0	111.8	C750 Q751 K757 L758	C750-K754 WeakPolarHBondContact O-CB 3.23Å; C750-K754 PolarHBondContact O-N 3.29Å; Q751-K754 PolarHBondContact O-N 3.31Å; K754-K757 PolarHBondContact O-N 3.25Å; K754-L758 HydrophobicContact CG-CD1 4.4Å; K754-L758 WeakPolarHBondContact O-CG 3.27Å; K754-L758 PolarHBondContact O-N 2.96Å
755	Y	95.1	Very high	94.2	Very high	144 Å²	144	100.9 Å²	100.9	57%	0.565	51%	0.508	S	S	*	.	H	α-helix	trans	-62.1	-43.5	177.2	173.9	-104.4	0	0	0	112.3	Q751 K752 K757 L758 R759	Q751-Y755 WeakPolarHBondContact O-CB 3.36Å; Q751-Y755 PolarHBondContact O-N 3.12Å; K752-Y755 PolarHBondContact O-N 2.96Å; Y755-K757 PolarHBondContact O-N 2.84Å; Y755-L758 PolarHBondContact O-N 3.46Å; Y755-R759 WeakPolarHBondContact O-CB 3.46Å; Y755-R759 PolarHBondContact O-N 3.28Å
756	Q	94.9	Very high	94.2	Very high	97 Å²	97	103.1 Å²	103.1	45%	0.453	51%	0.506	S	S	.	.	H	α-helix	trans	-60.4	-44.1	177	-76.1	175.8	-16.2	0	0	111.8	K752 T753 R759 T760	K752-Q756 WeakPolarHBondContact O-CB 3.42Å; K752-Q756 WeakPolarHBondContact O-CG 3.4Å; K752-Q756 PolarHBondContact O-N 3.34Å; T753-Q756 PolarHBondContact O-N 3.36Å; Q756-R759 PolarHBondContact O-N 3.01Å; Q756-T760 PolarHBondContact O-N 3.15Å; Q756-T760 PolarHBondContact O-OG1 2.89Å; Q756-T760 VanDerWaalsContact O-OG1 3.06Å
757	K	93.1	Very high	94.3	Very high	146 Å²	146	97.8 Å²	97.8	64%	0.635	50%	0.497	S	S	*	.	H	α-helix	trans	-59.3	-48.2	174.5	-72.2	-179	179.3	-175.7	0	111.7	T753 K754 Y755 R759 T760 S761	T753-K757 WeakPolarHBondContact O-CG 3.28Å; T753-K757 PolarHBondContact O-N 3.42Å; T753-K757 VanDerWaalsContact O-N 3.11Å; K754-K757 PolarHBondContact O-N 3.25Å; Y755-K757 PolarHBondContact O-N 2.84Å; K757-R759 VanDerWaalsContact C-N 3.35Å; K757-R759 PolarHBondContact O-N 2.81Å; K757-T760 PolarHBondContact O-N 2.87Å; K757-S761 PolarHBondContact O-N 2.88Å; K757-S761 PolarHBondContact O-OG 3.43Å
758	L	94.3	Very high	94.3	Very high	108 Å²	108	99.1 Å²	99.1	57%	0.565	50%	0.498	S	S	*	.	H	α-helix	trans	-59.8	-44	177.4	-74.5	169.7	0	0	0	112.2	K754 Y755 S761 A762	K754-L758 HydrophobicContact CG-CD1 4.4Å; K754-L758 WeakPolarHBondContact O-CG 3.27Å; K754-L758 PolarHBondContact O-N 2.96Å; Y755-L758 PolarHBondContact O-N 3.46Å; L758-S761 PolarHBondContact O-N 3.05Å; L758-A762 WeakPolarHBondContact O-CB 3.4Å; L758-A762 PolarHBondContact O-N 3.29Å
759	R	95.1	Very high	94.2	Very high	149 Å²	149	103.7 Å²	103.7	56%	0.562	50%	0.502	S	S	*	.	H	α-helix	trans	-61.7	-46.7	178.2	-178.3	176.5	175.4	-122.4	1.9	111.5	Y755 Q756 K757 A762 I763	Y755-R759 WeakPolarHBondContact O-CB 3.46Å; Y755-R759 PolarHBondContact O-N 3.28Å; Q756-R759 PolarHBondContact O-N 3.01Å; K757-R759 VanDerWaalsContact C-N 3.35Å; K757-R759 PolarHBondContact O-N 2.81Å; R759-A762 PolarHBondContact O-N 3.3Å; R759-I763 HydrophobicContact CG-CD1 3.85Å; R759-I763 VanDerWaalsContact O-CG1 3.27Å; R759-I763 WeakPolarHBondContact O-CG1 3.42Å; R759-I763 PolarHBondContact O-N 2.99Å
760	T	95.1	Very high	94.2	Very high	98 Å²	98	104.3 Å²	104.3	60%	0.601	50%	0.504	S	S	*	.	H	α-helix	trans	-62	-44.8	178.1	-56.5	0	0	0	0	111.4	Q756 K757 A762 I763 A764	Q756-T760 PolarHBondContact O-N 3.15Å; Q756-T760 PolarHBondContact O-OG1 2.89Å; Q756-T760 VanDerWaalsContact O-OG1 3.06Å; K757-T760 PolarHBondContact O-N 2.87Å; T760-A762 PolarHBondContact O-N 2.66Å; T760-I763 PolarHBondContact O-N 3.4Å; T760-A764 WeakPolarHBondContact O-CB 3.28Å; T760-A764 PolarHBondContact O-N 3.45Å
761	S	94.5	Very high	94.1	Very high	70 Å²	70	103.1 Å²	103.1	49%	0.49	50%	0.501	S	S	.	.	H	α-helix	trans	-61.8	-43.3	175.7	-61.4	0	0	0	0	112.4	K757 L758 A764 I765	K757-S761 PolarHBondContact O-N 2.88Å; K757-S761 PolarHBondContact O-OG 3.43Å; L758-S761 PolarHBondContact O-N 3.05Å; S761-A764 PolarHBondContact O-N 3.44Å; S761-I765 WeakPolarHBondContact O-CG1 3.3Å; S761-I765 PolarHBondContact O-N 3.3Å
762	A	95.1	Very high	94.1	Very high	44 Å²	44	99.8 Å²	99.8	36%	0.364	49%	0.486	S	S	.	.	H	α-helix	trans	-62.9	-44.3	177.4	0	0	0	0	0	111.9	L758 R759 T760 A764 I765 Q766	L758-A762 WeakPolarHBondContact O-CB 3.4Å; L758-A762 PolarHBondContact O-N 3.29Å; R759-A762 PolarHBondContact O-N 3.3Å; T760-A762 PolarHBondContact O-N 2.66Å; A762-A764 VanDerWaalsContact C-N 3.33Å; A762-A764 PolarHBondContact O-N 3.26Å; A762-I765 PolarHBondContact O-N 3.03Å; A762-Q766 WeakPolarHBondContact O-CB 3.4Å; A762-Q766 VanDerWaalsContact O-CG 3.22Å; A762-Q766 WeakPolarHBondContact O-CG 3.45Å; A762-Q766 PolarHBondContact O-N 3.44Å
763	I	95.5	Very high	94	Very high	82 Å²	82	97.2 Å²	97.2	42%	0.421	48%	0.478	S	S	.	.	H	α-helix	trans	-61.2	-43.3	176.4	-69	166.9	0	0	0	110.5	R759 T760 Q766 A767	R759-I763 HydrophobicContact CG-CD1 3.85Å; R759-I763 VanDerWaalsContact O-CG1 3.27Å; R759-I763 WeakPolarHBondContact O-CG1 3.42Å; R759-I763 PolarHBondContact O-N 2.99Å; T760-I763 PolarHBondContact O-N 3.4Å; I763-Q766 PolarHBondContact O-N 3.25Å; I763-A767 WeakPolarHBondContact O-CB 3.46Å; I763-A767 PolarHBondContact O-N 3.25Å
764	A	94.8	Very high	93.9	Very high	45 Å²	45	98.3 Å²	98.3	37%	0.372	49%	0.491	S	S	.	.	H	α-helix	trans	-60.3	-51.4	176.8	0	0	0	0	0	111.3	T760 S761 A762 Q766 A767 W768	T760-A764 WeakPolarHBondContact O-CB 3.28Å; T760-A764 PolarHBondContact O-N 3.45Å; S761-A764 PolarHBondContact O-N 3.44Å; A762-A764 VanDerWaalsContact C-N 3.33Å; A762-A764 PolarHBondContact O-N 3.26Å; A764-Q766 VanDerWaalsContact C-N 3.32Å; A764-Q766 PolarHBondContact O-N 3.14Å; A764-A767 PolarHBondContact O-N 3.44Å; A764-A767 VanDerWaalsContact O-N 3.15Å; A764-W768 VanDerWaalsContact O-CD1 3.24Å; A764-W768 PolarHBondContact O-N 2.93Å
765	I	93.9	Very high	93.8	Very high	120 Å²	120	99.1 Å²	99.1	62%	0.615	49%	0.491	S	S	*	.	H	α-helix	trans	-58.3	-44.7	178.2	-67.2	166.3	0	0	0	110.9	S761 A762 A767 W768 W769	S761-I765 WeakPolarHBondContact O-CG1 3.3Å; S761-I765 PolarHBondContact O-N 3.3Å; A762-I765 PolarHBondContact O-N 3.03Å; I765-A767 PolarHBondContact O-N 3.48Å; I765-W768 PolarHBondContact O-N 3.07Å; I765-W769 WeakPolarHBondContact O-CB 3.49Å; I765-W769 PolarHBondContact O-N 2.81Å
766	Q	93.6	Very high	93.5	Very high	94 Å²	94	98.5 Å²	98.5	44%	0.439	49%	0.487	S	S	.	.	H	α-helix	trans	-61.9	-41.9	177.2	-73.4	175	-6.7	0	0	112.2	A762 I763 A764 W769 R770	A762-Q766 WeakPolarHBondContact O-CB 3.4Å; A762-Q766 VanDerWaalsContact O-CG 3.22Å; A762-Q766 WeakPolarHBondContact O-CG 3.45Å; A762-Q766 PolarHBondContact O-N 3.44Å; I763-Q766 PolarHBondContact O-N 3.25Å; A764-Q766 VanDerWaalsContact C-N 3.32Å; A764-Q766 PolarHBondContact O-N 3.14Å; Q766-W769 PolarHBondContact O-N 3.36Å; Q766-R770 WeakPolarHBondContact O-CB 3.34Å; Q766-R770 VanDerWaalsContact O-CG 3.25Å; Q766-R770 WeakPolarHBondContact O-CG 3.47Å; Q766-R770 PolarHBondContact O-N 2.97Å
767	A	94.1	Very high	93.4	Very high	54 Å²	54	99.6 Å²	99.6	45%	0.446	49%	0.491	S	S	.	.	H	α-helix	trans	-63.3	-45.9	176.6	0	0	0	0	0	111.6	I763 A764 I765 W769 R770 G771	I763-A767 WeakPolarHBondContact O-CB 3.46Å; I763-A767 PolarHBondContact O-N 3.25Å; A764-A767 PolarHBondContact O-N 3.44Å; A764-A767 VanDerWaalsContact O-N 3.15Å; I765-A767 PolarHBondContact O-N 3.48Å; A767-W769 PolarHBondContact O-N 3.32Å; A767-R770 PolarHBondContact O-N 3.07Å; A767-G771 PolarHBondContact O-N 3.12Å
768	W	93	Very high	93.3	Very high	176 Å²	176	95.5 Å²	95.5	67%	0.667	48%	0.484	S	S	*	.	H	α-helix	trans	-59.1	-45.6	174.6	-86.6	87.8	0	0	0	111.9	A764 I765 G771 I772	A764-W768 VanDerWaalsContact O-CD1 3.24Å; A764-W768 PolarHBondContact O-N 2.93Å; I765-W768 PolarHBondContact O-N 3.07Å; W768-G771 CarbonylContact O-C 3.6Å; W768-G771 PolarHBondContact O-N 3.47Å; W768-I772 WeakPolarHBondContact O-CG1 3.44Å; W768-I772 PolarHBondContact O-N 3.28Å
769	W	91.6	Very high	93.1	Very high	137 Å²	137	95.9 Å²	95.9	52%	0.519	48%	0.483	S	S	.	.	H	α-helix	trans	-64	-44.9	179	-171.9	-114.4	0	0	0	112.6	I765 Q766 A767 G771 I772 L773	I765-W769 WeakPolarHBondContact O-CB 3.49Å; I765-W769 PolarHBondContact O-N 2.81Å; Q766-W769 PolarHBondContact O-N 3.36Å; A767-W769 PolarHBondContact O-N 3.32Å; W769-G771 VanDerWaalsContact C-N 3.28Å; W769-G771 PolarHBondContact O-N 2.58Å; W769-I772 HydrophobicContact CE3-CD1 4.44Å; W769-I772 PolarHBondContact O-N 3.31Å; W769-L773 HydrophobicContact CG-CD1 4.49Å; W769-L773 WeakPolarHBondContact O-CG 3.43Å; W769-L773 PolarHBondContact O-N 3.42Å
770	R	94.1	Very high	92.7	Very high	153 Å²	153	96.5 Å²	96.5	58%	0.577	49%	0.485	S	S	*	.	H	α-helix	trans	-56.7	-43.4	172.4	-72.6	173.8	-171.4	123.4	2.4	110.9	Q766 A767 L773 A774	Q766-R770 WeakPolarHBondContact O-CB 3.34Å; Q766-R770 VanDerWaalsContact O-CG 3.25Å; Q766-R770 WeakPolarHBondContact O-CG 3.47Å; Q766-R770 PolarHBondContact O-N 2.97Å; A767-R770 PolarHBondContact O-N 3.07Å; R770-L773 PolarHBondContact O-N 3.31Å; R770-A774 WeakPolarHBondContact O-CB 3.38Å; R770-A774 PolarHBondContact O-N 3.49Å
771	G	92.8	Very high	92.3	Very high	27 Å²	27	100 Å²	100	28%	0.278	49%	0.487	S	S	.	.	H	α-helix	trans	-64.3	-38.9	175.7	0	0	0	0	0	114	A767 W768 W769 R775	A767-G771 PolarHBondContact O-N 3.12Å; W768-G771 CarbonylContact O-C 3.6Å; W768-G771 PolarHBondContact O-N 3.47Å; W769-G771 VanDerWaalsContact C-N 3.28Å; W769-G771 PolarHBondContact O-N 2.58Å; G771-R775 WeakPolarHBondContact O-CB 3.04Å; G771-R775 WeakPolarHBondContact O-CG 3.11Å; G771-R775 PolarHBondContact O-N 3.22Å; G771-R775 PolarHBondContact O-NE 3.06Å
772	I	93.6	Very high	92	Very high	52 Å²	52	105.5 Å²	105.5	27%	0.267	50%	0.497	S	S	.	.	H	α-helix	trans	-66.3	-45.6	174.8	-70.7	168.1	0	0	0	110.6	W768 W769 A774 R775 R776	W768-I772 WeakPolarHBondContact O-CG1 3.44Å; W768-I772 PolarHBondContact O-N 3.28Å; W769-I772 HydrophobicContact CE3-CD1 4.44Å; W769-I772 PolarHBondContact O-N 3.31Å; I772-A774 VanDerWaalsContact C-N 3.34Å; I772-A774 PolarHBondContact O-N 2.88Å; I772-R775 PolarHBondContact O-N 3.4Å; I772-R776 HydrophobicContact CG2-CG 4.37Å; I772-R776 WeakPolarHBondContact O-CB 3.42Å; I772-R776 WeakPolarHBondContact O-CG 3.35Å; I772-R776 PolarHBondContact O-N 3.09Å
773	L	92.6	Very high	91.6	Very high	77 Å²	77	108.4 Å²	108.4	40%	0.403	50%	0.503	S	S	.	.	H	α-helix	trans	-59.8	-44.3	177.9	-76.3	172.6	0	0	0	111.7	W769 R770 R776 K777	W769-L773 HydrophobicContact CG-CD1 4.49Å; W769-L773 WeakPolarHBondContact O-CG 3.43Å; W769-L773 PolarHBondContact O-N 3.42Å; R770-L773 PolarHBondContact O-N 3.31Å; L773-R776 PolarHBondContact O-N 3.15Å; L773-K777 WeakPolarHBondContact O-CB 3.39Å; L773-K777 PolarHBondContact O-N 3.39Å
774	A	91.9	Very high	91.1	Very high	61 Å²	61	106.8 Å²	106.8	50%	0.504	50%	0.502	S	S	.	.	H	α-helix	trans	-61.1	-47.6	176	0	0	0	0	0	111.7	R770 I772 R776 K777 A778	R770-A774 WeakPolarHBondContact O-CB 3.38Å; R770-A774 PolarHBondContact O-N 3.49Å; I772-A774 VanDerWaalsContact C-N 3.34Å; I772-A774 PolarHBondContact O-N 2.88Å; A774-R776 PolarHBondContact O-N 3.21Å; A774-K777 PolarHBondContact O-N 2.91Å; A774-A778 PolarHBondContact O-N 2.73Å
775	R	90.8	Very high	90.8	Very high	148 Å²	148	107 Å²	107	56%	0.558	50%	0.504	S	S	*	.	H	α-helix	trans	-60.2	-44.5	176.2	-77.1	-179.3	-79.7	171.6	-8.7	112.4	G771 I772 K777 A778 Q779	G771-R775 WeakPolarHBondContact O-CB 3.04Å; G771-R775 WeakPolarHBondContact O-CG 3.11Å; G771-R775 PolarHBondContact O-N 3.22Å; G771-R775 PolarHBondContact O-NE 3.06Å; I772-R775 PolarHBondContact O-N 3.4Å; R775-K777 VanDerWaalsContact C-N 3.33Å; R775-K777 PolarHBondContact O-N 2.68Å; R775-A778 PolarHBondContact O-N 2.91Å; R775-Q779 WeakPolarHBondContact O-CB 3.45Å; R775-Q779 PolarHBondContact O-N 2.87Å
776	R	90.3	Very high	90.4	Very high	130 Å²	130	104.4 Å²	104.4	49%	0.491	49%	0.492	S	S	.	.	H	α-helix	trans	-61.7	-39.2	175.2	-76.8	-177.7	177.3	175.3	-0.3	112.2	I772 L773 A774 R780	I772-R776 HydrophobicContact CG2-CG 4.37Å; I772-R776 WeakPolarHBondContact O-CB 3.42Å; I772-R776 WeakPolarHBondContact O-CG 3.35Å; I772-R776 PolarHBondContact O-N 3.09Å; L773-R776 PolarHBondContact O-N 3.15Å; A774-R776 PolarHBondContact O-N 3.21Å; R776-R780 WeakPolarHBondContact O-CB 3.5Å; R776-R780 WeakPolarHBondContact O-CG 3.38Å; R776-R780 PolarHBondContact O-N 3.08Å
777	K	90.9	Very high	89.8	Confident	121 Å²	121	103.4 Å²	103.4	53%	0.526	49%	0.492	S	S	.	.	H	α-helix	trans	-67	-43.1	176.3	-170.4	175.4	-176.9	176.3	0	111.2	L773 A774 R775 R780 R781	L773-K777 WeakPolarHBondContact O-CB 3.39Å; L773-K777 PolarHBondContact O-N 3.39Å; A774-K777 PolarHBondContact O-N 2.91Å; R775-K777 VanDerWaalsContact C-N 3.33Å; R775-K777 PolarHBondContact O-N 2.68Å; K777-R780 PolarHBondContact O-N 3.43Å; K777-R781 WeakPolarHBondContact O-CG 3.31Å; K777-R781 PolarHBondContact O-N 3.39Å
778	A	90.9	Very high	89.3	Confident	60 Å²	60	105.8 Å²	105.8	50%	0.496	50%	0.496	S	S	.	.	H	α-helix	trans	-63.3	-44.2	175.3	0	0	0	0	0	112	A774 R775 R781 R782	A774-A778 PolarHBondContact O-N 2.73Å; R775-A778 PolarHBondContact O-N 2.91Å; A778-R781 PolarHBondContact O-N 3.48Å; A778-R782 WeakPolarHBondContact O-CB 3.38Å; A778-R782 PolarHBondContact O-N 3.14Å
779	Q	90.3	Very high	88.8	Confident	115 Å²	115	104.7 Å²	104.7	54%	0.537	49%	0.492	S	S	.	.	H	α-helix	trans	-60.7	-45.9	175.6	-174.7	178.5	4.8	0	0	111.5	R775 R781 R782 Q783	R775-Q779 WeakPolarHBondContact O-CB 3.45Å; R775-Q779 PolarHBondContact O-N 2.87Å; Q779-R781 PolarHBondContact O-N 3.18Å; Q779-R782 PolarHBondContact O-N 2.72Å; Q779-Q783 HydrophobicContact CG-CG 4.47Å; Q779-Q783 WeakPolarHBondContact O-CB 3.41Å; Q779-Q783 WeakPolarHBondContact O-CG 3.46Å; Q779-Q783 PolarHBondContact O-N 2.8Å
780	R	87	Confident	88.2	Confident	163 Å²	163	106.3 Å²	106.3	62%	0.615	50%	0.498	S	S	*	.	H	α-helix	trans	-58.5	-45.7	174.8	-83.9	-172.6	-91	172	-10.5	112.3	R776 K777 Q783 A784	R776-R780 WeakPolarHBondContact O-CB 3.5Å; R776-R780 WeakPolarHBondContact O-CG 3.38Å; R776-R780 PolarHBondContact O-N 3.08Å; K777-R780 PolarHBondContact O-N 3.43Å; R780-Q783 PolarHBondContact O-N 2.96Å; R780-A784 WeakPolarHBondContact O-CB 3.48Å; R780-A784 PolarHBondContact O-N 3.28Å
781	R	87.3	Confident	87.4	Confident	171 Å²	171	103.3 Å²	103.3	65%	0.645	49%	0.489	S	S	*	.	H	α-helix	trans	-61.9	-43.2	175.8	-75	-179.3	173.6	-174.6	-4.2	112	K777 A778 Q779 A784 A785	K777-R781 WeakPolarHBondContact O-CG 3.31Å; K777-R781 PolarHBondContact O-N 3.39Å; A778-R781 PolarHBondContact O-N 3.48Å; Q779-R781 PolarHBondContact O-N 3.18Å; R781-A784 PolarHBondContact O-N 3.23Å; R781-A785 WeakPolarHBondContact O-CB 3.14Å; R781-A785 PolarHBondContact O-N 2.98Å
782	R	88	Confident	86.8	Confident	186 Å²	186	106.3 Å²	106.3	70%	0.702	50%	0.498	S	S	*	.	H	α-helix	trans	-66.5	-41.2	178.2	-168.4	173.3	-175.5	165.5	-0	112	A778 Q779 A785 N786	A778-R782 WeakPolarHBondContact O-CB 3.38Å; A778-R782 PolarHBondContact O-N 3.14Å; Q779-R782 PolarHBondContact O-N 2.72Å; R782-A785 PolarHBondContact O-N 3.09Å; R782-N786 WeakPolarHBondContact O-CB 3.26Å; R782-N786 VanDerWaalsContact O-CG 3.27Å; R782-N786 PolarHBondContact O-N 2.89Å
783	Q	86.2	Confident	86.1	Confident	104 Å²	104	108.8 Å²	108.8	49%	0.486	51%	0.506	S	S	.	.	H	α-helix	trans	-61.5	-49.3	173.2	-77.5	175.4	-18.4	0	0	110.8	Q779 R780 A785 N786 T787	Q779-Q783 HydrophobicContact CG-CG 4.47Å; Q779-Q783 WeakPolarHBondContact O-CB 3.41Å; Q779-Q783 WeakPolarHBondContact O-CG 3.46Å; Q779-Q783 PolarHBondContact O-N 2.8Å; R780-Q783 PolarHBondContact O-N 2.96Å; Q783-A785 PolarHBondContact O-N 3.44Å; Q783-N786 PolarHBondContact O-N 3.46Å; Q783-T787 WeakPolarHBondContact O-CB 3.12Å; Q783-T787 PolarHBondContact O-N 3.39Å; Q783-T787 PolarHBondContact O-OG1 2.79Å
784	A	85.9	Confident	85.4	Confident	49 Å²	49	105.1 Å²	105.1	41%	0.405	49%	0.487	S	S	.	.	H	α-helix	trans	-57	-47.8	176.3	0	0	0	0	0	111.9	R780 R781 N786 T787 I788	R780-A784 WeakPolarHBondContact O-CB 3.48Å; R780-A784 PolarHBondContact O-N 3.28Å; R781-A784 PolarHBondContact O-N 3.23Å; A784-N786 PolarHBondContact O-N 3Å; A784-T787 PolarHBondContact O-N 3.09Å; A784-I788 VanDerWaalsContact O-CG1 3.27Å; A784-I788 WeakPolarHBondContact O-CG1 3.4Å; A784-I788 PolarHBondContact O-N 2.87Å
785	A	87.8	Confident	84.7	Confident	50 Å²	50	107.1 Å²	107.1	41%	0.413	49%	0.485	S	S	.	.	H	α-helix	trans	-60.9	-42.3	176.8	0	0	0	0	0	112.5	R781 R782 Q783 R789	R781-A785 WeakPolarHBondContact O-CB 3.14Å; R781-A785 PolarHBondContact O-N 2.98Å; R782-A785 PolarHBondContact O-N 3.09Å; Q783-A785 PolarHBondContact O-N 3.44Å; A785-R789 VanDerWaalsContact O-CB 3.24Å; A785-R789 WeakPolarHBondContact O-CB 3.39Å; A785-R789 PolarHBondContact O-N 3.23Å
786	N	85.3	Confident	84.1	Confident	65 Å²	65	105.2 Å²	105.2	35%	0.348	49%	0.485	S	S	.	.	H	α-helix	trans	-66.2	-40.9	176.4	-77.8	-15.8	0	0	0	112.1	R782 Q783 A784 R789 R790	R782-N786 WeakPolarHBondContact O-CB 3.26Å; R782-N786 VanDerWaalsContact O-CG 3.27Å; R782-N786 PolarHBondContact O-N 2.89Å; Q783-N786 PolarHBondContact O-N 3.46Å; A784-N786 PolarHBondContact O-N 3Å; N786-R789 PolarHBondContact O-N 3.05Å; N786-R790 WeakPolarHBondContact O-CB 3.45Å; N786-R790 VanDerWaalsContact O-CG 3.31Å; N786-R790 WeakPolarHBondContact O-CG 3.33Å; N786-R790 PolarHBondContact O-N 2.87Å
787	T	81.4	Confident	83.4	Confident	72 Å²	72	103.1 Å²	103.1	44%	0.442	48%	0.477	S	S	.	.	H	α-helix	trans	-63.7	-46.7	176.7	-58.9	0	0	0	0	110.9	Q783 A784 R789 R790 F791	Q783-T787 WeakPolarHBondContact O-CB 3.12Å; Q783-T787 PolarHBondContact O-N 3.39Å; Q783-T787 PolarHBondContact O-OG1 2.79Å; A784-T787 PolarHBondContact O-N 3.09Å; T787-R789 VanDerWaalsContact C-N 3.34Å; T787-R789 PolarHBondContact O-N 3.07Å; T787-R790 PolarHBondContact O-N 2.91Å; T787-F791 WeakPolarHBondContact O-CB 3.45Å; T787-F791 PolarHBondContact O-N 3.32Å
788	I	83.5	Confident	82.4	Confident	104 Å²	104	102.2 Å²	102.2	53%	0.533	47%	0.471	S	S	.	.	H	α-helix	trans	-60.2	-46.8	175.7	-66.9	165.1	0	0	0	110	A784 R790 F791 I792	A784-I788 VanDerWaalsContact O-CG1 3.27Å; A784-I788 WeakPolarHBondContact O-CG1 3.4Å; A784-I788 PolarHBondContact O-N 2.87Å; I788-R790 PolarHBondContact O-N 2.82Å; I788-F791 PolarHBondContact O-N 2.96Å; I788-I792 HydrophobicContact CG2-CD1 3.66Å; I788-I792 HydrophobicContact CG2-CG1 4.33Å; I788-I792 VanDerWaalsContact O-CG1 3.31Å; I788-I792 WeakPolarHBondContact O-CG1 3.43Å; I788-I792 PolarHBondContact O-N 3.12Å
789	R	82.6	Confident	81.3	Confident	154 Å²	154	106.9 Å²	106.9	58%	0.581	48%	0.482	S	S	*	.	H	α-helix	trans	-61.5	-42	178	-174.5	-179.1	-72.7	163.7	-6.3	112.3	A785 N786 T787 K793	A785-R789 VanDerWaalsContact O-CB 3.24Å; A785-R789 WeakPolarHBondContact O-CB 3.39Å; A785-R789 PolarHBondContact O-N 3.23Å; N786-R789 PolarHBondContact O-N 3.05Å; T787-R789 VanDerWaalsContact C-N 3.34Å; T787-R789 PolarHBondContact O-N 3.07Å; R789-K793 WeakPolarHBondContact O-CB 3.13Å; R789-K793 WeakPolarHBondContact O-CG 3.48Å; R789-K793 PolarHBondContact O-N 3.12Å
790	R	79.3	Confident	80.3	Confident	171 Å²	171	107.9 Å²	107.9	65%	0.645	49%	0.485	S	S	*	.	H	α-helix	trans	-63.5	-43.5	175.3	-78.5	179.3	178.6	-171.7	-2	111.4	N786 T787 I788 G794	N786-R790 WeakPolarHBondContact O-CB 3.45Å; N786-R790 VanDerWaalsContact O-CG 3.31Å; N786-R790 WeakPolarHBondContact O-CG 3.33Å; N786-R790 PolarHBondContact O-N 2.87Å; T787-R790 PolarHBondContact O-N 2.91Å; I788-R790 PolarHBondContact O-N 2.82Å; R790-G794 PolarHBondContact O-N 3.15Å
791	F	76.9	Confident	79.5	Confident	89 Å²	89	108.7 Å²	108.7	39%	0.39	50%	0.495	S	S	.	.	H	α-helix	trans	-63.2	-47.2	177.1	-174.7	-93.8	0	0	0	112.1	T787 I788 G794 F795 F809 Y812	T787-F791 WeakPolarHBondContact O-CB 3.45Å; T787-F791 PolarHBondContact O-N 3.32Å; I788-F791 PolarHBondContact O-N 2.96Å; F791-G794 PolarHBondContact O-N 2.65Å; F791-F795 WeakPolarHBondContact O-CB 3.44Å; F791-F795 PolarHBondContact O-N 3.19Å; F791-F809 HydrophobicContact CD2-CD2 4.04Å; F791-F809 HydrophobicContact CD2-CE2 4.44Å; F791-F809 AromaticContact CE2-CD2 3.81Å; F791-F809 HydrophobicContact CE2-CD2 3.81Å; F791-F809 AromaticContact CE2-CE2 3.8Å; F791-F809 HydrophobicContact CE2-CE2 3.8Å; F791-F809 HydrophobicContact CZ-CD2 4.32Å; F791-F809 AromaticContact CZ-CE2 3.9Å; F791-F809 HydrophobicContact CZ-CE2 3.9Å; F791-Y812 HydrophobicContact CE2-CD1 4.42Å; F791-Y812 HydrophobicContact CE2-CE1 4.4Å
792	I	80.7	Confident	78.9	Confident	90 Å²	90	106.6 Å²	106.6	46%	0.462	49%	0.487	S	S	.	.	H	α-helix	trans	-62.7	-47.3	178.1	-67.3	170	0	0	0	110.9	I788 G794 F795 I796	I788-I792 HydrophobicContact CG2-CD1 3.66Å; I788-I792 HydrophobicContact CG2-CG1 4.33Å; I788-I792 VanDerWaalsContact O-CG1 3.31Å; I788-I792 WeakPolarHBondContact O-CG1 3.43Å; I788-I792 PolarHBondContact O-N 3.12Å; I792-G794 VanDerWaalsContact C-N 3.35Å; I792-G794 PolarHBondContact O-N 2.96Å; I792-F795 PolarHBondContact O-N 3.21Å; I792-I796 HydrophobicContact CG2-CD1 3.95Å; I792-I796 WeakPolarHBondContact O-CG1 3.4Å; I792-I796 PolarHBondContact O-N 2.73Å
793	K	79	Confident	78.3	Confident	104 Å²	104	99.3 Å²	99.3	45%	0.452	47%	0.465	S	S	.	.	H	α-helix	trans	-58.9	-46.6	175.9	-77.5	-171.4	172.6	-164.3	0	111.1	R789 F795 I796 Y797	R789-K793 WeakPolarHBondContact O-CB 3.13Å; R789-K793 WeakPolarHBondContact O-CG 3.48Å; R789-K793 PolarHBondContact O-N 3.12Å; K793-F795 VanDerWaalsContact C-N 3.33Å; K793-F795 PolarHBondContact O-N 3.42Å; K793-I796 PolarHBondContact O-N 2.92Å; K793-Y797 WeakPolarHBondContact O-CD2 3.42Å; K793-Y797 PolarHBondContact O-N 2.86Å; K793-Y797 VanDerWaalsContact O-N 3.08Å
794	G	77.9	Confident	77.7	Confident	0 Å²	0	99.6 Å²	99.6	0%	0	48%	0.476	C	S	.	.	H	α-helix	trans	-61.8	-37.6	177.1	0	0	0	0	0	113.6	R790 F791 I792 Y797 R798 E805	R790-G794 PolarHBondContact O-N 3.15Å; F791-G794 PolarHBondContact O-N 2.65Å; I792-G794 VanDerWaalsContact C-N 3.35Å; I792-G794 PolarHBondContact O-N 2.96Å; G794-Y797 CarbonylContact O-C 3.53Å; G794-Y797 PolarHBondContact O-N 2.46Å; G794-R798 PolarHBondContact O-N 3.2Å; G794-E805 VanDerWaalsContact CA-O 3.25Å; G794-E805 WeakPolarHBondContact CA-O 3.42Å; G794-E805 PolarHBondContact N-O 3.3Å
795	F	75.9	Confident	77.1	Confident	103 Å²	103	101.6 Å²	101.6	45%	0.452	48%	0.477	S	S	.	.	H	α-helix	trans	-66.7	-36.7	175.1	-178.5	-97	0	0	0	113.3	F791 I792 K793 R798 F809	F791-F795 WeakPolarHBondContact O-CB 3.44Å; F791-F795 PolarHBondContact O-N 3.19Å; I792-F795 PolarHBondContact O-N 3.21Å; K793-F795 VanDerWaalsContact C-N 3.33Å; K793-F795 PolarHBondContact O-N 3.42Å; F795-R798 VanDerWaalsContact CE1-NH1 3.34Å; F795-R798 WeakPolarHBondContact O-CB 3.47Å; F795-R798 VanDerWaalsContact O-CD 3.31Å; F795-R798 WeakPolarHBondContact O-CD 3.25Å; F795-R798 VanDerWaalsContact O-CG 3.27Å; F795-R798 WeakPolarHBondContact O-CG 3.43Å; F795-R798 PolarHBondContact O-NH1 2.74Å; F795-F809 HydrophobicContact CB-CE2 4.19Å; F795-F809 HydrophobicContact CD2-CE2 4.06Å; F795-F809 AromaticContact CD2-CZ 3.84Å; F795-F809 HydrophobicContact CD2-CZ 3.84Å
796	I	78.8	Confident	76.4	Confident	109 Å²	109	99.2 Å²	99.2	56%	0.559	46%	0.457	S	S	*	.	H	α-helix	trans	-65.3	-42	174.6	-67.9	166.3	0	0	0	110.3	I792 K793 R798	I792-I796 HydrophobicContact CG2-CD1 3.95Å; I792-I796 WeakPolarHBondContact O-CG1 3.4Å; I792-I796 PolarHBondContact O-N 2.73Å; K793-I796 PolarHBondContact O-N 2.92Å; I796-R798 VanDerWaalsContact C-N 3.32Å; I796-R798 PolarHBondContact O-N 3.41Å
797	Y	75.4	Confident	76.1	Confident	86 Å²	86	100.3 Å²	100.3	34%	0.337	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	18.9	-177.8	-68.2	-68.8	0	0	0	114.7	K793 G794 H799 K800 E805 N806	K793-Y797 WeakPolarHBondContact O-CD2 3.42Å; K793-Y797 PolarHBondContact O-N 2.86Å; K793-Y797 VanDerWaalsContact O-N 3.08Å; G794-Y797 CarbonylContact O-C 3.53Å; G794-Y797 PolarHBondContact O-N 2.46Å; Y797-H799 VanDerWaalsContact C-N 3.27Å; Y797-H799 PolarHBondContact O-N 3.15Å; Y797-K800 HydrophobicContact CD1-CD 3.75Å; Y797-K800 HydrophobicContact CD1-CG 4.34Å; Y797-K800 HydrophobicContact CE1-CD 4.3Å; Y797-K800 PolarHBondContact O-N 2.96Å; Y797-E805 HydrophobicContact CD2-CB 4Å; Y797-E805 HydrophobicContact CE2-CB 4.43Å; Y797-N806 PolarHBondContact O-ND2 3.46Å
798	R	69.7	Low	75.8	Confident	102 Å²	102	102.7 Å²	102.7	39%	0.385	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-23.1	-172.1	68.9	-175.6	179	-96.3	-0	116	G794 F795 I796 F809	G794-R798 PolarHBondContact O-N 3.2Å; F795-R798 VanDerWaalsContact CE1-NH1 3.34Å; F795-R798 WeakPolarHBondContact O-CB 3.47Å; F795-R798 VanDerWaalsContact O-CD 3.31Å; F795-R798 WeakPolarHBondContact O-CD 3.25Å; F795-R798 VanDerWaalsContact O-CG 3.27Å; F795-R798 WeakPolarHBondContact O-CG 3.43Å; F795-R798 PolarHBondContact O-NH1 2.74Å; I796-R798 VanDerWaalsContact C-N 3.32Å; I796-R798 PolarHBondContact O-N 3.41Å; R798-F809 HydrophobicContact CB-CD1 4.46Å; R798-F809 HydrophobicContact CB-CE1 4.04Å
799	H	68.4	Low	75.6	Confident	158 Å²	158	98.9 Å²	98.9	73%	0.731	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	3.6	-178	-61.5	-61.6	0	0	0	113.1	Y797	Y797-H799 VanDerWaalsContact C-N 3.27Å; Y797-H799 PolarHBondContact O-N 3.15Å
800	K	69.6	Low	75.2	Confident	136 Å²	136	93.2 Å²	93.2	59%	0.591	42%	0.422	S	S	*	.	S	Bend	trans	-93.5	161.5	174.8	-58.6	-157.6	-173.8	-175.7	0	110.4	Y797 N806	Y797-K800 HydrophobicContact CD1-CD 3.75Å; Y797-K800 HydrophobicContact CD1-CG 4.34Å; Y797-K800 HydrophobicContact CE1-CD 4.3Å; Y797-K800 PolarHBondContact O-N 2.96Å; K800-N806 PolarHBondContact O-ND2 2.74Å
801	E	70.6	Confident	75.1	Confident	180 Å²	180	88 Å²	88	84%	0.841	41%	0.407	S	S	*	.	S	Bend	trans	-57.2	160.1	171.1	-66.7	-175.9	164.5	0	0	111.9	C803 N806	E801-C803 PolarHBondContact O-N 2.89Å; E801-N806 PolarHBondContact O-ND2 2.72Å
802	R	74.4	Confident	75.2	Confident	126 Å²	126	89.1 Å²	89.1	48%	0.475	41%	0.41	S	S	.	.	S	Bend	trans	-57.6	114	-175.6	-172.4	-179.5	179.5	115.7	-7.2	110	N806 E807 D811	R802-N806 WeakPolarHBondContact CA-OD1 3.32Å; R802-E807 IonicContact CZ-OE1 3.91Å; R802-E807 IonicContact NE-OE1 3.71Å; R802-E807 PolarHBondContact NE-OE1 3.02Å; R802-E807 IonicContact NH2-OE1 3.03Å; R802-E807 PolarHBondContact NH2-OE1 2.88Å; R802-D811 IonicContact CZ-OD1 2.72Å; R802-D811 IonicContact CZ-OD2 3.63Å; R802-D811 IonicContact NH1-OD1 2.71Å; R802-D811 PolarHBondContact NH1-OD1 3.46Å; R802-D811 IonicContact NH1-OD2 3.53Å; R802-D811 IonicContact NH2-OD1 3.75Å; R802-D811 IonicContact NH2-OD2 3.54Å; R802-D811 PolarHBondContact NH2-OD2 2.82Å; R802-D811 VanDerWaalsContact NH2-OD2 3.07Å
803	C	74.9	Confident	75	Confident	34 Å²	34	86.7 Å²	86.7	23%	0.23	40%	0.399	C	S	.	.			trans	-127.2	162.1	176.9	76.7	0	0	0	0	110.2	E801 E805 N806 E807	E801-C803 PolarHBondContact O-N 2.89Å; C803-E805 PolarHBondContact O-N 3.41Å; C803-E805 PolarHBondContact SG-OE2 3.47Å; C803-N806 PolarHBondContact N-OD1 3.13Å; C803-N806 PolarHBondContact O-N 3.03Å; C803-N806 PolarHBondContact O-OD1 2.85Å; C803-N806 VanDerWaalsContact SG-CG 3.6Å; C803-E807 PolarHBondContact O-N 3.47Å; C803-E807 VanDerWaalsContact O-N 3.07Å
804	P	73.3	Confident	75	Confident	110 Å²	110	87 Å²	87	71%	0.714	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-27.1	-178.5	-26.7	35.4	0	0	0	114.2
805	E	73.1	Confident	75.1	Confident	91 Å²	91	93.8 Å²	93.8	43%	0.425	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-26.1	179.7	-62.7	74.8	-165.9	0	0	114.4	G794 Y797 C803	G794-E805 VanDerWaalsContact CA-O 3.25Å; G794-E805 WeakPolarHBondContact CA-O 3.42Å; G794-E805 PolarHBondContact N-O 3.3Å; Y797-E805 HydrophobicContact CD2-CB 4Å; Y797-E805 HydrophobicContact CE2-CB 4.43Å; C803-E805 PolarHBondContact O-N 3.41Å; C803-E805 PolarHBondContact SG-OE2 3.47Å
806	N	74.5	Confident	75.3	Confident	0 Å²	0	91.4 Å²	91.4	0%	0	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-12.1	-177.2	73.2	10.2	0	0	0	114.3	Y797 K800 E801 R802 C803 Y808 F809 L810	Y797-N806 PolarHBondContact O-ND2 3.46Å; K800-N806 PolarHBondContact O-ND2 2.74Å; E801-N806 PolarHBondContact O-ND2 2.72Å; R802-N806 WeakPolarHBondContact CA-OD1 3.32Å; C803-N806 PolarHBondContact N-OD1 3.13Å; C803-N806 PolarHBondContact O-N 3.03Å; C803-N806 PolarHBondContact O-OD1 2.85Å; C803-N806 VanDerWaalsContact SG-CG 3.6Å; N806-Y808 PolarHBondContact O-N 3.23Å; N806-F809 PolarHBondContact O-N 3.4Å; N806-F809 VanDerWaalsContact O-N 3.08Å; N806-L810 WeakPolarHBondContact O-CG 3.5Å; N806-L810 PolarHBondContact O-N 3.49Å
807	E	77.6	Confident	75.4	Confident	87 Å²	87	86.7 Å²	86.7	41%	0.407	40%	0.395	S	S	.	.	H	α-helix	trans	-49.8	-54	-178.7	174.3	165.9	-135.3	0	0	113	R802 C803 F809 L810 D811	R802-E807 IonicContact CZ-OE1 3.91Å; R802-E807 IonicContact NE-OE1 3.71Å; R802-E807 PolarHBondContact NE-OE1 3.02Å; R802-E807 IonicContact NH2-OE1 3.03Å; R802-E807 PolarHBondContact NH2-OE1 2.88Å; C803-E807 PolarHBondContact O-N 3.47Å; C803-E807 VanDerWaalsContact O-N 3.07Å; E807-F809 VanDerWaalsContact C-N 3.3Å; E807-F809 PolarHBondContact O-N 3.49Å; E807-L810 PolarHBondContact O-N 3.5Å; E807-D811 PolarHBondContact O-N 3.13Å
808	Y	76.6	Confident	75.6	Confident	122 Å²	122	87 Å²	87	48%	0.478	40%	0.402	S	S	.	.	H	α-helix	trans	-61.1	-37.9	-179.8	178.1	-95.4	0	0	0	112.8	N806 Y812	N806-Y808 PolarHBondContact O-N 3.23Å; Y808-Y812 VanDerWaalsContact O-CB 3.27Å; Y808-Y812 WeakPolarHBondContact O-CB 3.3Å; Y808-Y812 PolarHBondContact O-N 3.34Å
809	F	77.7	Confident	76.2	Confident	25 Å²	25	85.5 Å²	85.5	11%	0.11	40%	0.4	C	S	.	.	H	α-helix	trans	-71.2	-42.9	-179	-179.7	-94.4	0	0	0	111.2	F791 F795 R798 N806 E807 Y812 V813	F791-F809 HydrophobicContact CD2-CD2 4.04Å; F791-F809 HydrophobicContact CD2-CE2 4.44Å; F791-F809 AromaticContact CE2-CD2 3.81Å; F791-F809 HydrophobicContact CE2-CD2 3.81Å; F791-F809 AromaticContact CE2-CE2 3.8Å; F791-F809 HydrophobicContact CE2-CE2 3.8Å; F791-F809 HydrophobicContact CZ-CD2 4.32Å; F791-F809 AromaticContact CZ-CE2 3.9Å; F791-F809 HydrophobicContact CZ-CE2 3.9Å; F795-F809 HydrophobicContact CB-CE2 4.19Å; F795-F809 HydrophobicContact CD2-CE2 4.06Å; F795-F809 AromaticContact CD2-CZ 3.84Å; F795-F809 HydrophobicContact CD2-CZ 3.84Å; R798-F809 HydrophobicContact CB-CD1 4.46Å; R798-F809 HydrophobicContact CB-CE1 4.04Å; N806-F809 PolarHBondContact O-N 3.4Å; N806-F809 VanDerWaalsContact O-N 3.08Å; E807-F809 VanDerWaalsContact C-N 3.3Å; E807-F809 PolarHBondContact O-N 3.49Å; F809-Y812 PolarHBondContact O-N 3.18Å; F809-V813 HydrophobicContact CD1-CG2 4.13Å; F809-V813 HydrophobicContact CE1-CG2 3.73Å; F809-V813 HydrophobicContact CE2-CG2 4.41Å; F809-V813 HydrophobicContact CZ-CG2 3.88Å; F809-V813 VanDerWaalsContact O-CG2 3.3Å; F809-V813 WeakPolarHBondContact O-CG2 3.42Å; F809-V813 PolarHBondContact O-N 3.48Å
810	L	74.6	Confident	76.7	Confident	35 Å²	35	81.4 Å²	81.4	18%	0.183	38%	0.384	C	S	.	.	H	α-helix	trans	-64	-43.8	177.4	-67.8	173.9	0	0	0	111.7	N806 E807 Y812 V813 R814	N806-L810 WeakPolarHBondContact O-CG 3.5Å; N806-L810 PolarHBondContact O-N 3.49Å; E807-L810 PolarHBondContact O-N 3.5Å; L810-Y812 VanDerWaalsContact C-N 3.35Å; L810-V813 PolarHBondContact O-N 3.19Å; L810-R814 VanDerWaalsContact O-CG 3.25Å; L810-R814 WeakPolarHBondContact O-CG 3.49Å; L810-R814 PolarHBondContact O-N 3.34Å
811	D	78.3	Confident	77.3	Confident	60 Å²	60	75.4 Å²	75.4	32%	0.321	36%	0.358	S	S	.	.	H	α-helix	trans	-67.7	-35.5	177.5	-68.1	-19.5	0	0	0	111.5	R802 E807 R814 Y815	R802-D811 IonicContact CZ-OD1 2.72Å; R802-D811 IonicContact CZ-OD2 3.63Å; R802-D811 IonicContact NH1-OD1 2.71Å; R802-D811 PolarHBondContact NH1-OD1 3.46Å; R802-D811 IonicContact NH1-OD2 3.53Å; R802-D811 IonicContact NH2-OD1 3.75Å; R802-D811 IonicContact NH2-OD2 3.54Å; R802-D811 PolarHBondContact NH2-OD2 2.82Å; R802-D811 VanDerWaalsContact NH2-OD2 3.07Å; E807-D811 PolarHBondContact O-N 3.13Å; D811-R814 PolarHBondContact O-N 3.42Å; D811-R814 IonicContact OD1-NH1 3.9Å; D811-R814 PolarHBondContact OD1-NH1 3.42Å; D811-Y815 WeakPolarHBondContact O-CB 3.21Å; D811-Y815 PolarHBondContact O-N 3.5Å
812	Y	77.8	Confident	77.6	Confident	114 Å²	114	73.1 Å²	73.1	45%	0.447	35%	0.347	S	S	.	.	H	α-helix	trans	-62.9	-45.1	170.8	175.8	-97.6	0	0	0	112.6	F791 Y808 F809 L810 R814 Y815 S816	F791-Y812 HydrophobicContact CE2-CD1 4.42Å; F791-Y812 HydrophobicContact CE2-CE1 4.4Å; Y808-Y812 VanDerWaalsContact O-CB 3.27Å; Y808-Y812 WeakPolarHBondContact O-CB 3.3Å; Y808-Y812 PolarHBondContact O-N 3.34Å; F809-Y812 PolarHBondContact O-N 3.18Å; L810-Y812 VanDerWaalsContact C-N 3.35Å; Y812-R814 VanDerWaalsContact C-N 3.32Å; Y812-R814 PolarHBondContact O-N 3.02Å; Y812-Y815 PolarHBondContact O-N 2.84Å; Y812-S816 WeakPolarHBondContact O-CB 3.24Å; Y812-S816 PolarHBondContact O-N 2.98Å
813	V	76.6	Confident	77.8	Confident	39 Å²	39	76.6 Å²	76.6	24%	0.236	36%	0.36	C	S	.	.	H	α-helix	trans	-62.4	-41.3	177.9	169.7	0	0	0	0	110.9	F809 L810 F817 P838	F809-V813 HydrophobicContact CD1-CG2 4.13Å; F809-V813 HydrophobicContact CE1-CG2 3.73Å; F809-V813 HydrophobicContact CE2-CG2 4.41Å; F809-V813 HydrophobicContact CZ-CG2 3.88Å; F809-V813 VanDerWaalsContact O-CG2 3.3Å; F809-V813 WeakPolarHBondContact O-CG2 3.42Å; F809-V813 PolarHBondContact O-N 3.48Å; L810-V813 PolarHBondContact O-N 3.19Å; V813-F817 WeakPolarHBondContact O-CB 2.95Å; V813-F817 PolarHBondContact O-N 3.38Å; V813-P838 HydrophobicContact CG1-CB 4.05Å; V813-P838 HydrophobicContact CG1-CG 3.96Å
814	R	79.4	Confident	77.8	Confident	110 Å²	110	79.1 Å²	79.1	42%	0.415	37%	0.371	S	S	.	.	H	α-helix	trans	-60	-53.4	174.6	-70.8	167.7	172.1	178.4	-8.2	112.2	L810 D811 Y812 F817 L818 L841	L810-R814 VanDerWaalsContact O-CG 3.25Å; L810-R814 WeakPolarHBondContact O-CG 3.49Å; L810-R814 PolarHBondContact O-N 3.34Å; D811-R814 PolarHBondContact O-N 3.42Å; D811-R814 IonicContact OD1-NH1 3.9Å; D811-R814 PolarHBondContact OD1-NH1 3.42Å; Y812-R814 VanDerWaalsContact C-N 3.32Å; Y812-R814 PolarHBondContact O-N 3.02Å; R814-F817 PolarHBondContact O-N 2.98Å; R814-L818 WeakPolarHBondContact O-CG 3.3Å; R814-L818 PolarHBondContact O-N 3.44Å; R814-L818 VanDerWaalsContact O-N 3.07Å; R814-L841 HydrophobicContact CB-CD1 4.3Å; R814-L841 HydrophobicContact CG-CD1 3.96Å; R814-L841 HydrophobicContact CG-CD2 4.2Å; R814-L841 HydrophobicContact CG-CG 4.44Å
815	Y	80.4	Confident	78.1	Confident	143 Å²	143	77.1 Å²	77.1	56%	0.561	36%	0.355	S	S	*	.	H	α-helix	trans	-62.1	-45.2	179.5	176.5	-95.9	0	0	0	112.2	D811 Y812 F817 L818 M819	D811-Y815 WeakPolarHBondContact O-CB 3.21Å; D811-Y815 PolarHBondContact O-N 3.5Å; Y812-Y815 PolarHBondContact O-N 2.84Å; Y815-F817 VanDerWaalsContact C-N 3.35Å; Y815-F817 PolarHBondContact O-N 3.37Å; Y815-L818 PolarHBondContact O-N 3.47Å; Y815-M819 HydrophobicContact CD1-CG 4.16Å; Y815-M819 HydrophobicContact CD2-CE 4.37Å; Y815-M819 HydrophobicContact CD2-CG 4.35Å; Y815-M819 HydrophobicContact CE1-CG 3.69Å; Y815-M819 HydrophobicContact CE2-CE 3.41Å; Y815-M819 VanDerWaalsContact CE2-CE 3.41Å; Y815-M819 HydrophobicContact CE2-CG 3.9Å; Y815-M819 HydrophobicContact CE2-SD 4.49Å; Y815-M819 HydrophobicContact CG-CG 4.47Å; Y815-M819 WeakPolarHBondContact O-CB 3.5Å; Y815-M819 WeakPolarHBondContact O-CG 3.34Å; Y815-M819 PolarHBondContact O-N 3.17Å; Y815-M819 WeakPolarHBondContact OH-CE 3.06Å
816	S	80.1	Confident	78.4	Confident	52 Å²	52	73.5 Å²	73.5	36%	0.364	34%	0.339	S	S	.	.	H	α-helix	trans	-60.3	-43.7	179.2	-177.3	0	0	0	0	111.6	Y812 M819 N820	Y812-S816 WeakPolarHBondContact O-CB 3.24Å; Y812-S816 PolarHBondContact O-N 2.98Å; S816-M819 PolarHBondContact O-N 3.47Å; S816-N820 VanDerWaalsContact O-CB 3.29Å; S816-N820 WeakPolarHBondContact O-CB 3.38Å; S816-N820 PolarHBondContact O-N 3.44Å
817	F	80.8	Confident	78.2	Confident	11 Å²	11	82.6 Å²	82.6	5%	0.048	38%	0.378	C	S	.	.	H	α-helix	trans	-63.5	-45.7	176	177.3	-109.8	0	0	0	112.2	V813 R814 Y815 M819 N820 L821 P835 P837 P838 L841	V813-F817 WeakPolarHBondContact O-CB 2.95Å; V813-F817 PolarHBondContact O-N 3.38Å; R814-F817 PolarHBondContact O-N 2.98Å; Y815-F817 VanDerWaalsContact C-N 3.35Å; Y815-F817 PolarHBondContact O-N 3.37Å; F817-M819 VanDerWaalsContact C-N 3.34Å; F817-M819 PolarHBondContact O-N 2.87Å; F817-N820 PolarHBondContact O-N 2.88Å; F817-L821 WeakPolarHBondContact O-CB 3.48Å; F817-L821 PolarHBondContact O-N 2.93Å; F817-P835 HydrophobicContact CE2-CB 4.46Å; F817-P837 HydrophobicContact CE1-CB 4.3Å; F817-P837 VanDerWaalsContact CE2-CA 3.5Å; F817-P837 HydrophobicContact CE2-CB 4.04Å; F817-P837 HydrophobicContact CZ-CB 3.72Å; F817-P838 HydrophobicContact CB-CG 4.13Å; F817-P838 HydrophobicContact CD2-CG 4.23Å; F817-P838 HydrophobicContact CG-CG 4.2Å; F817-L841 HydrophobicContact CB-CD1 4.06Å; F817-L841 HydrophobicContact CD1-CB 4.25Å; F817-L841 HydrophobicContact CD1-CD1 3.87Å; F817-L841 HydrophobicContact CE1-CB 4.44Å; F817-L841 HydrophobicContact CG-CD1 4.25Å
818	L	79.2	Confident	77.9	Confident	92 Å²	92	82.6 Å²	82.6	48%	0.482	38%	0.381	S	S	.	.	H	α-helix	trans	-62.9	-39.2	177.5	-70	172.3	0	0	0	112.5	R814 Y815 L821 H822 L848	R814-L818 WeakPolarHBondContact O-CG 3.3Å; R814-L818 PolarHBondContact O-N 3.44Å; R814-L818 VanDerWaalsContact O-N 3.07Å; Y815-L818 PolarHBondContact O-N 3.47Å; L818-L821 WeakPolarHBondContact O-CB 3.19Å; L818-L821 PolarHBondContact O-N 3.41Å; L818-H822 PolarHBondContact O-N 2.88Å; L818-L848 HydrophobicContact CD2-CD1 4.04Å
819	M	82.4	Confident	77.7	Confident	71 Å²	71	79.6 Å²	79.6	35%	0.35	38%	0.375	S	S	.	.	H	α-helix	trans	-69.8	-37.4	175.8	-75.4	-63.6	167	0	0	112.4	Y815 S816 F817 L821 R823	Y815-M819 HydrophobicContact CD1-CG 4.16Å; Y815-M819 HydrophobicContact CD2-CE 4.37Å; Y815-M819 HydrophobicContact CD2-CG 4.35Å; Y815-M819 HydrophobicContact CE1-CG 3.69Å; Y815-M819 HydrophobicContact CE2-CE 3.41Å; Y815-M819 VanDerWaalsContact CE2-CE 3.41Å; Y815-M819 HydrophobicContact CE2-CG 3.9Å; Y815-M819 HydrophobicContact CE2-SD 4.49Å; Y815-M819 HydrophobicContact CG-CG 4.47Å; Y815-M819 WeakPolarHBondContact O-CB 3.5Å; Y815-M819 WeakPolarHBondContact O-CG 3.34Å; Y815-M819 PolarHBondContact O-N 3.17Å; Y815-M819 WeakPolarHBondContact OH-CE 3.06Å; S816-M819 PolarHBondContact O-N 3.47Å; F817-M819 VanDerWaalsContact C-N 3.34Å; F817-M819 PolarHBondContact O-N 2.87Å; M819-L821 VanDerWaalsContact C-N 3.31Å; M819-R823 WeakPolarHBondContact O-CG 3.15Å; M819-R823 PolarHBondContact O-N 2.85Å
820	N	79.9	Confident	77.3	Confident	72 Å²	72	85.8 Å²	85.8	39%	0.385	41%	0.409	S	S	.	.	H	α-helix	trans	-64.2	-40.1	172.4	-170.5	20.3	0	0	0	111.1	S816 F817 R823 N824	S816-N820 VanDerWaalsContact O-CB 3.29Å; S816-N820 WeakPolarHBondContact O-CB 3.38Å; S816-N820 PolarHBondContact O-N 3.44Å; F817-N820 PolarHBondContact O-N 2.88Å; N820-R823 PolarHBondContact O-N 3.49Å; N820-N824 WeakPolarHBondContact O-CB 3.39Å; N820-N824 PolarHBondContact O-N 3.26Å; N820-N824 PolarHBondContact O-ND2 3.33Å; N820-N824 PolarHBondContact OD1-ND2 2.87Å
821	L	80.3	Confident	77.1	Confident	10 Å²	10	86.2 Å²	86.2	5%	0.052	41%	0.411	C	S	.	.	H	α-helix	trans	-62.3	-49.2	175.9	-175.8	66	0	0	0	111.5	F817 L818 M819 R823 N824 L825 W834 P835 L848	F817-L821 WeakPolarHBondContact O-CB 3.48Å; F817-L821 PolarHBondContact O-N 2.93Å; L818-L821 WeakPolarHBondContact O-CB 3.19Å; L818-L821 PolarHBondContact O-N 3.41Å; M819-L821 VanDerWaalsContact C-N 3.31Å; L821-R823 VanDerWaalsContact C-N 3.26Å; L821-R823 PolarHBondContact O-N 3.15Å; L821-N824 CarbonylContact O-C 3.43Å; L821-N824 PolarHBondContact O-N 3.34Å; L821-N824 VanDerWaalsContact O-N 3.12Å; L821-L825 HydrophobicContact CD1-CD2 4.48Å; L821-L825 HydrophobicContact CG-CD2 4.35Å; L821-L825 WeakPolarHBondContact O-CG 3.47Å; L821-L825 PolarHBondContact O-N 3.41Å; L821-W834 HydrophobicContact CD1-CD2 4.15Å; L821-W834 HydrophobicContact CD1-CE3 4.42Å; L821-W834 HydrophobicContact CD1-CH2 3.75Å; L821-W834 HydrophobicContact CD1-CZ2 3.44Å; L821-W834 VanDerWaalsContact CD1-CZ2 3.44Å; L821-W834 HydrophobicContact CD1-CZ3 4.24Å; L821-W834 HydrophobicContact CD2-CH2 4.32Å; L821-W834 HydrophobicContact CD2-CZ2 3.97Å; L821-W834 HydrophobicContact CG-CH2 4.4Å; L821-W834 HydrophobicContact CG-CZ2 4.25Å; L821-P835 HydrophobicContact CD1-CG 3.94Å; L821-L848 HydrophobicContact CD2-CB 4.16Å; L821-L848 HydrophobicContact CD2-CD1 3.68Å
822	H	76.9	Confident	76.6	Confident	132 Å²	132	92.7 Å²	92.7	61%	0.611	44%	0.437	S	S	*	.	H	α-helix	trans	-55.5	-40.3	177.1	173.3	60.6	0	0	0	113	L818 N824	L818-H822 PolarHBondContact O-N 2.88Å; H822-N824 VanDerWaalsContact C-N 3.34Å
823	R	79.1	Confident	76.4	Confident	199 Å²	199	90.1 Å²	90.1	75%	0.751	44%	0.435	S	S	*	.	H	α-helix	trans	-71.8	-27.6	-180	-70.8	174.2	-177.3	-176	0.8	113.4	M819 N820 L821	M819-R823 WeakPolarHBondContact O-CG 3.15Å; M819-R823 PolarHBondContact O-N 2.85Å; N820-R823 PolarHBondContact O-N 3.49Å; L821-R823 VanDerWaalsContact C-N 3.26Å; L821-R823 PolarHBondContact O-N 3.15Å
824	N	75.9	Confident	76.6	Confident	86 Å²	86	90.8 Å²	90.8	46%	0.46	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.9	40.1	-172.2	-66.5	-48.8	0	0	0	112	N820 L821 H822 P835	N820-N824 WeakPolarHBondContact O-CB 3.39Å; N820-N824 PolarHBondContact O-N 3.26Å; N820-N824 PolarHBondContact O-ND2 3.33Å; N820-N824 PolarHBondContact OD1-ND2 2.87Å; L821-N824 CarbonylContact O-C 3.43Å; L821-N824 PolarHBondContact O-N 3.34Å; L821-N824 VanDerWaalsContact O-N 3.12Å; H822-N824 VanDerWaalsContact C-N 3.34Å; N824-P835 HydrophobicContact CB-CG 3.88Å
825	L	78.8	Confident	76.7	Confident	69 Å²	69	86.4 Å²	86.4	36%	0.361	42%	0.419	S	S	.	.			trans	-75.3	145.8	171.7	-69.4	171.1	0	0	0	110.7	L821 W834	L821-L825 HydrophobicContact CD1-CD2 4.48Å; L821-L825 HydrophobicContact CG-CD2 4.35Å; L821-L825 WeakPolarHBondContact O-CG 3.47Å; L821-L825 PolarHBondContact O-N 3.41Å; L825-W834 HydrophobicContact CD2-CH2 4.14Å; L825-W834 HydrophobicContact CD2-CZ3 3.99Å
826	P	78.5	Confident	76.4	Confident	14 Å²	14	85.9 Å²	85.9	9%	0.091	43%	0.431	C	S	.	.			trans	-54	139.5	174.5	-22.2	29.5	0	0	0	112.1	D831 S833 W834 M856	P826-D831 HydrophobicContact CB-CB 4.11Å; P826-S833 WeakPolarHBondContact CG-O 3.4Å; P826-W834 HydrophobicContact CG-CE3 4.32Å; P826-M856 HydrophobicContact CB-CE 3.86Å; P826-M856 HydrophobicContact CB-SD 4.1Å; P826-M856 HydrophobicContact CG-CE 4.47Å; P826-M856 VanDerWaalsContact O-SD 3.41Å
827	K	71.9	Confident	76.3	Confident	192 Å²	192	85.4 Å²	85.4	84%	0.835	43%	0.427	S	S	*	.	S	Bend	trans	-89.6	-24.2	-176.5	-68.1	-176.1	-178.7	177.2	0	114.1	D831	K827-D831 PolarHBondContact N-OD2 2.61Å; K827-D831 VanDerWaalsContact N-OD2 3.14Å
828	N	70.8	Confident	76.1	Confident	87 Å²	87	87 Å²	87	47%	0.465	44%	0.438	S	S	.	.	S	Bend	trans	-145.6	168.8	178.3	66	33.5	0	0	0	110.9	L830 D831 M856	N828-L830 PolarHBondContact O-N 3.3Å; N828-L830 VanDerWaalsContact O-N 3.17Å; N828-L830 PolarHBondContact OD1-N 3.27Å; N828-L830 VanDerWaalsContact OD1-N 3.13Å; N828-D831 WeakPolarHBondContact O-CB 3.49Å; N828-D831 PolarHBondContact O-N 3.47Å; N828-D831 VanDerWaalsContact O-N 3.13Å; N828-D831 WeakPolarHBondContact OD1-CB 3.41Å; N828-D831 PolarHBondContact OD1-N 3.1Å; N828-M856 WeakPolarHBondContact O-CE 3.47Å
829	V	72.3	Confident	75.6	Confident	58 Å²	58	87.4 Å²	87.4	35%	0.352	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-21	-176.7	178.9	0	0	0	0	112.9	M856 V857	V829-M856 HydrophobicContact CG2-CB 4.28Å; V829-V857 HydrophobicContact CG1-CG2 3.77Å; V829-V857 HydrophobicContact CG2-CG2 4.18Å
830	L	68.6	Low	75	Confident	156 Å²	156	87.8 Å²	87.8	82%	0.817	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-9.7	-179.7	-60.6	175.9	0	0	0	113	N828	N828-L830 PolarHBondContact O-N 3.3Å; N828-L830 VanDerWaalsContact O-N 3.17Å; N828-L830 PolarHBondContact OD1-N 3.27Å; N828-L830 VanDerWaalsContact OD1-N 3.13Å
831	D	71	Confident	74.7	Confident	44 Å²	44	85.6 Å²	85.6	24%	0.235	46%	0.458	C	S	.	.			trans	-83.3	120.7	-179.2	-175.7	-2	0	0	0	110.9	P826 K827 N828 S833	P826-D831 HydrophobicContact CB-CB 4.11Å; K827-D831 PolarHBondContact N-OD2 2.61Å; K827-D831 VanDerWaalsContact N-OD2 3.14Å; N828-D831 WeakPolarHBondContact O-CB 3.49Å; N828-D831 PolarHBondContact O-N 3.47Å; N828-D831 VanDerWaalsContact O-N 3.13Å; N828-D831 WeakPolarHBondContact OD1-CB 3.41Å; N828-D831 PolarHBondContact OD1-N 3.1Å; D831-S833 WeakPolarHBondContact OD1-CB 3.21Å; D831-S833 PolarHBondContact OD1-N 3.03Å; D831-S833 PolarHBondContact OD1-OG 3.06Å; D831-S833 PolarHBondContact OD2-OG 3.24Å
832	K	67.6	Low	74.5	Confident	196 Å²	196	88.2 Å²	88.2	85%	0.852	47%	0.474	S	S	*	.			trans	-101.5	8.8	-176.9	-64.7	-175.3	-179.9	178.8	0	113.8
833	S	74.5	Confident	74.7	Confident	60 Å²	60	89.5 Å²	89.5	42%	0.42	48%	0.48	S	S	.	.			trans	-69.5	128.9	-177.1	56.4	0	0	0	0	112.7	P826 D831	P826-S833 WeakPolarHBondContact CG-O 3.4Å; D831-S833 WeakPolarHBondContact OD1-CB 3.21Å; D831-S833 PolarHBondContact OD1-N 3.03Å; D831-S833 PolarHBondContact OD1-OG 3.06Å; D831-S833 PolarHBondContact OD2-OG 3.24Å
834	W	80.6	Confident	74.6	Confident	53 Å²	53	82 Å²	82	20%	0.201	46%	0.461	C	S	.	.			trans	-145.6	131.7	175.9	-163.1	-97.5	0	0	0	111.8	L821 L825 P826 S845 L848 R849 C852	L821-W834 HydrophobicContact CD1-CD2 4.15Å; L821-W834 HydrophobicContact CD1-CE3 4.42Å; L821-W834 HydrophobicContact CD1-CH2 3.75Å; L821-W834 HydrophobicContact CD1-CZ2 3.44Å; L821-W834 VanDerWaalsContact CD1-CZ2 3.44Å; L821-W834 HydrophobicContact CD1-CZ3 4.24Å; L821-W834 HydrophobicContact CD2-CH2 4.32Å; L821-W834 HydrophobicContact CD2-CZ2 3.97Å; L821-W834 HydrophobicContact CG-CH2 4.4Å; L821-W834 HydrophobicContact CG-CZ2 4.25Å; L825-W834 HydrophobicContact CD2-CH2 4.14Å; L825-W834 HydrophobicContact CD2-CZ3 3.99Å; P826-W834 HydrophobicContact CG-CE3 4.32Å; W834-S845 PolarHBondContact NE1-OG 2.85Å; W834-L848 HydrophobicContact CH2-CB 4.37Å; W834-L848 HydrophobicContact CZ2-CB 4.02Å; W834-R849 HydrophobicContact CD2-CB 3.85Å; W834-R849 HydrophobicContact CD2-CG 3.61Å; W834-R849 VanDerWaalsContact CE2-CB 3.49Å; W834-R849 HydrophobicContact CE3-CB 4.2Å; W834-R849 HydrophobicContact CE3-CG 3.77Å; W834-R849 HydrophobicContact CG-CB 4.48Å; W834-R849 HydrophobicContact CG-CG 4.05Å; W834-R849 HydrophobicContact CH2-CB 3.93Å; W834-R849 HydrophobicContact CH2-CG 4.36Å; W834-R849 HydrophobicContact CZ2-CB 3.52Å; W834-R849 HydrophobicContact CZ2-CG 4.19Å; W834-R849 HydrophobicContact CZ3-CB 4.24Å; W834-R849 HydrophobicContact CZ3-CG 4.15Å; W834-C852 HydrophobicContact CH2-CB 4.12Å; W834-C852 HydrophobicContact CZ3-CB 4.02Å
835	P	80.1	Confident	75	Confident	18 Å²	18	78.1 Å²	78.1	12%	0.117	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-65.9	146.9	-179.1	-23	34.8	0	0	0	114.5	F817 L821 N824	F817-P835 HydrophobicContact CE2-CB 4.46Å; L821-P835 HydrophobicContact CD1-CG 3.94Å; N824-P835 HydrophobicContact CB-CG 3.88Å
836	T	75.4	Confident	75.1	Confident	132 Å²	132	80 Å²	80	81%	0.81	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-73.4	124.5	177.9	-20.1	0	0	0	0	111.6
837	P	78.4	Confident	75.4	Confident	42 Å²	42	84.1 Å²	84.1	27%	0.273	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-80	146.4	-178.3	30.1	-33.2	0	0	0	113.7	F817 T842	F817-P837 HydrophobicContact CE1-CB 4.3Å; F817-P837 VanDerWaalsContact CE2-CA 3.5Å; F817-P837 HydrophobicContact CE2-CB 4.04Å; F817-P837 HydrophobicContact CZ-CB 3.72Å; P837-T842 HydrophobicContact CG-CG2 4.24Å
838	P	75.5	Confident	75.9	Confident	44 Å²	44	78.1 Å²	78.1	29%	0.286	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-62	152.1	163.6	-19.4	30.7	0	0	0	111.5	V813 F817 A840 L841 T842	V813-P838 HydrophobicContact CG1-CB 4.05Å; V813-P838 HydrophobicContact CG1-CG 3.96Å; F817-P838 HydrophobicContact CB-CG 4.13Å; F817-P838 HydrophobicContact CD2-CG 4.23Å; F817-P838 HydrophobicContact CG-CG 4.2Å; P838-A840 PolarHBondContact O-N 3.26Å; P838-L841 HydrophobicContact CG-CD1 4.44Å; P838-L841 PolarHBondContact O-N 2.87Å; P838-T842 PolarHBondContact O-N 2.97Å
839	A	70.1	Confident	76.4	Confident	100 Å²	100	79.9 Å²	79.9	83%	0.826	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-52.5	-31.6	-175.5	0	0	0	0	0	114.9	L841 T842	A839-L841 VanDerWaalsContact C-N 3.3Å; A839-L841 PolarHBondContact O-N 3.46Å; A839-T842 PolarHBondContact O-OG1 3.35Å
840	A	67.8	Low	76.9	Confident	80 Å²	80	83.7 Å²	83.7	66%	0.661	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-78.8	-7	179	0	0	0	0	0	114.6	P838	P838-A840 PolarHBondContact O-N 3.26Å
841	L	75.4	Confident	77.7	Confident	26 Å²	26	82.2 Å²	82.2	14%	0.136	45%	0.447	C	S	.	.	G	3₁₀ helix	trans	-131.1	12.6	-170	-69	167.2	0	0	0	113.4	R814 F817 P838 A839 E843 A844 S845	R814-L841 HydrophobicContact CB-CD1 4.3Å; R814-L841 HydrophobicContact CG-CD1 3.96Å; R814-L841 HydrophobicContact CG-CD2 4.2Å; R814-L841 HydrophobicContact CG-CG 4.44Å; F817-L841 HydrophobicContact CB-CD1 4.06Å; F817-L841 HydrophobicContact CD1-CB 4.25Å; F817-L841 HydrophobicContact CD1-CD1 3.87Å; F817-L841 HydrophobicContact CE1-CB 4.44Å; F817-L841 HydrophobicContact CG-CD1 4.25Å; P838-L841 HydrophobicContact CG-CD1 4.44Å; P838-L841 PolarHBondContact O-N 2.87Å; A839-L841 VanDerWaalsContact C-N 3.3Å; A839-L841 PolarHBondContact O-N 3.46Å; L841-E843 PolarHBondContact O-N 3.42Å; L841-A844 HydrophobicContact CD2-CB 4.46Å; L841-A844 PolarHBondContact O-N 2.93Å; L841-S845 PolarHBondContact O-N 3.3Å
842	T	75.6	Confident	78.2	Confident	65 Å²	65	81.5 Å²	81.5	40%	0.399	45%	0.445	S	S	.	.	H	α-helix	trans	-56.9	-49.4	-178.4	-43.2	0	0	0	0	111.3	P837 P838 A839 A844 S845 E846	P837-T842 HydrophobicContact CG-CG2 4.24Å; P838-T842 PolarHBondContact O-N 2.97Å; A839-T842 PolarHBondContact O-OG1 3.35Å; T842-A844 PolarHBondContact O-N 2.77Å; T842-S845 PolarHBondContact O-N 3.15Å; T842-E846 PolarHBondContact O-N 3.1Å
843	E	80.3	Confident	78.8	Confident	159 Å²	159	75.6 Å²	75.6	74%	0.743	42%	0.422	S	S	*	.	H	α-helix	trans	-62.2	-45.7	-180	-172.2	179.3	-170.5	0	0	112.4	L841 S845 E846 L847	L841-E843 PolarHBondContact O-N 3.42Å; E843-S845 VanDerWaalsContact C-N 3.34Å; E843-S845 PolarHBondContact O-N 2.96Å; E843-E846 PolarHBondContact O-N 3.45Å; E843-L847 PolarHBondContact O-N 3.02Å
844	A	77.4	Confident	79.2	Confident	42 Å²	42	79.3 Å²	79.3	35%	0.347	43%	0.432	S	S	.	.	H	α-helix	trans	-64.4	-37	179.7	0	0	0	0	0	112.8	L841 T842 E846 L847 L848	L841-A844 HydrophobicContact CD2-CB 4.46Å; L841-A844 PolarHBondContact O-N 2.93Å; T842-A844 PolarHBondContact O-N 2.77Å; A844-E846 VanDerWaalsContact C-N 3.35Å; A844-E846 PolarHBondContact O-N 3.44Å; A844-L847 PolarHBondContact O-N 2.89Å; A844-L848 WeakPolarHBondContact O-CG 3.35Å; A844-L848 PolarHBondContact O-N 3.31Å; A844-L848 VanDerWaalsContact O-N 3.16Å
845	S	83.4	Confident	79.2	Confident	3 Å²	3	81.6 Å²	81.6	2%	0.021	45%	0.448	C	S	.	.	H	α-helix	trans	-63.8	-38.9	178	-175.7	0	0	0	0	112.4	W834 L841 T842 E843 L848 R849	W834-S845 PolarHBondContact NE1-OG 2.85Å; L841-S845 PolarHBondContact O-N 3.3Å; T842-S845 PolarHBondContact O-N 3.15Å; E843-S845 VanDerWaalsContact C-N 3.34Å; E843-S845 PolarHBondContact O-N 2.96Å; S845-L848 PolarHBondContact O-N 3.01Å; S845-R849 PolarHBondContact O-N 3Å
846	E	81.4	Confident	79.2	Confident	108 Å²	108	82.3 Å²	82.3	51%	0.505	45%	0.451	S	S	.	.	H	α-helix	trans	-66.9	-39.8	179.1	-71.1	-171.5	167.4	0	0	112.8	T842 E843 A844 R849 K850	T842-E846 PolarHBondContact O-N 3.1Å; E843-E846 PolarHBondContact O-N 3.45Å; A844-E846 VanDerWaalsContact C-N 3.35Å; A844-E846 PolarHBondContact O-N 3.44Å; E846-R849 PolarHBondContact O-N 2.87Å; E846-K850 PolarHBondContact O-N 3.13Å
847	L	84.8	Confident	79.3	Confident	102 Å²	102	79.1 Å²	79.1	53%	0.534	43%	0.431	S	S	.	.	H	α-helix	trans	-64.2	-45.7	175.9	-68.4	173.3	0	0	0	111.5	E843 A844 R849 K850 M851	E843-L847 PolarHBondContact O-N 3.02Å; A844-L847 PolarHBondContact O-N 2.89Å; L847-R849 VanDerWaalsContact C-N 3.29Å; L847-R849 PolarHBondContact O-N 3.18Å; L847-K850 PolarHBondContact O-N 2.77Å; L847-M851 PolarHBondContact O-N 2.93Å; L847-M851 VanDerWaalsContact O-N 3.17Å
848	L	83.3	Confident	79.3	Confident	65 Å²	65	84.5 Å²	84.5	34%	0.34	45%	0.446	S	S	.	.	H	α-helix	trans	-62.6	-36	178.2	-70.8	169.9	0	0	0	112.2	L818 L821 W834 A844 S845 M851 C852	L818-L848 HydrophobicContact CD2-CD1 4.04Å; L821-L848 HydrophobicContact CD2-CB 4.16Å; L821-L848 HydrophobicContact CD2-CD1 3.68Å; W834-L848 HydrophobicContact CH2-CB 4.37Å; W834-L848 HydrophobicContact CZ2-CB 4.02Å; A844-L848 WeakPolarHBondContact O-CG 3.35Å; A844-L848 PolarHBondContact O-N 3.31Å; A844-L848 VanDerWaalsContact O-N 3.16Å; S845-L848 PolarHBondContact O-N 3.01Å; L848-M851 PolarHBondContact O-N 2.88Å; L848-C852 WeakPolarHBondContact O-CB 3.43Å; L848-C852 PolarHBondContact O-N 3.18Å
849	R	82	Confident	79.4	Confident	125 Å²	125	84.5 Å²	84.5	47%	0.472	45%	0.447	S	S	.	.	H	α-helix	trans	-61	-46.4	176.1	-168.7	173.6	65.5	177.6	-3.1	112.2	W834 S845 E846 L847 C852 M853	W834-R849 HydrophobicContact CD2-CB 3.85Å; W834-R849 HydrophobicContact CD2-CG 3.61Å; W834-R849 VanDerWaalsContact CE2-CB 3.49Å; W834-R849 HydrophobicContact CE3-CB 4.2Å; W834-R849 HydrophobicContact CE3-CG 3.77Å; W834-R849 HydrophobicContact CG-CB 4.48Å; W834-R849 HydrophobicContact CG-CG 4.05Å; W834-R849 HydrophobicContact CH2-CB 3.93Å; W834-R849 HydrophobicContact CH2-CG 4.36Å; W834-R849 HydrophobicContact CZ2-CB 3.52Å; W834-R849 HydrophobicContact CZ2-CG 4.19Å; W834-R849 HydrophobicContact CZ3-CB 4.24Å; W834-R849 HydrophobicContact CZ3-CG 4.15Å; S845-R849 PolarHBondContact O-N 3Å; E846-R849 PolarHBondContact O-N 2.87Å; L847-R849 VanDerWaalsContact C-N 3.29Å; L847-R849 PolarHBondContact O-N 3.18Å; R849-C852 PolarHBondContact O-N 3.04Å; R849-M853 PolarHBondContact O-N 3.25Å
850	K	82.3	Confident	79.6	Confident	137 Å²	137	87 Å²	87	60%	0.596	44%	0.436	S	S	*	.	H	α-helix	trans	-62.1	-46.5	178.9	-73.1	179.2	178.8	174.8	0	111.2	E846 L847 C852 M853 Q854	E846-K850 PolarHBondContact O-N 3.13Å; L847-K850 PolarHBondContact O-N 2.77Å; K850-C852 PolarHBondContact O-N 3.36Å; K850-M853 PolarHBondContact O-N 3.49Å; K850-Q854 WeakPolarHBondContact O-CG 3.36Å; K850-Q854 PolarHBondContact O-N 2.87Å
851	M	84	Confident	79.8	Confident	126 Å²	126	87.2 Å²	87.2	62%	0.621	43%	0.432	S	S	*	.	H	α-helix	trans	-63.1	-42.4	179.8	-70.4	-179.9	70.7	0	0	112.9	L847 L848 M853 Q854 N855	L847-M851 PolarHBondContact O-N 2.93Å; L847-M851 VanDerWaalsContact O-N 3.17Å; L848-M851 PolarHBondContact O-N 2.88Å; M851-M853 PolarHBondContact O-N 3.1Å; M851-Q854 PolarHBondContact O-N 3.17Å; M851-N855 PolarHBondContact O-N 2.87Å
852	C	82.3	Confident	79.7	Confident	29 Å²	29	93.2 Å²	93.2	20%	0.196	46%	0.457	C	S	.	.	H	α-helix	trans	-60.9	-47	-179.7	-178.1	0	0	0	0	111.8	W834 L848 R849 K850 Q854 N855 M856	W834-C852 HydrophobicContact CH2-CB 4.12Å; W834-C852 HydrophobicContact CZ3-CB 4.02Å; L848-C852 WeakPolarHBondContact O-CB 3.43Å; L848-C852 PolarHBondContact O-N 3.18Å; R849-C852 PolarHBondContact O-N 3.04Å; K850-C852 PolarHBondContact O-N 3.36Å; C852-Q854 PolarHBondContact O-N 3.33Å; C852-N855 PolarHBondContact O-N 3.02Å; C852-M856 WeakPolarHBondContact O-CG 3.32Å; C852-M856 PolarHBondContact O-N 3.39Å; C852-M856 VanDerWaalsContact O-N 3.13Å
853	M	80.3	Confident	79.6	Confident	71 Å²	71	98.6 Å²	98.6	35%	0.35	48%	0.475	S	S	.	.	H	α-helix	trans	-62.3	-44.2	-179	-173.3	58.7	71.5	0	0	112.2	R849 K850 M851 N855 M856 V857	R849-M853 PolarHBondContact O-N 3.25Å; K850-M853 PolarHBondContact O-N 3.49Å; M851-M853 PolarHBondContact O-N 3.1Å; M853-N855 VanDerWaalsContact C-N 3.34Å; M853-N855 PolarHBondContact O-N 2.81Å; M853-M856 HydrophobicContact CE-CE 4.04Å; M853-M856 PolarHBondContact O-N 3.26Å; M853-M856 HydrophobicContact SD-CE 3.71Å; M853-V857 WeakPolarHBondContact O-CG2 3.5Å; M853-V857 PolarHBondContact O-N 2.8Å
854	Q	82.3	Confident	79.2	Confident	139 Å²	139	95.1 Å²	95.1	65%	0.65	46%	0.46	S	S	*	.	H	α-helix	trans	-60.1	-42.8	178.7	-72.7	176.9	-20.8	0	0	112.3	K850 M851 C852 V857 W858	K850-Q854 WeakPolarHBondContact O-CG 3.36Å; K850-Q854 PolarHBondContact O-N 2.87Å; M851-Q854 PolarHBondContact O-N 3.17Å; C852-Q854 PolarHBondContact O-N 3.33Å; Q854-V857 PolarHBondContact O-N 3.34Å; Q854-W858 PolarHBondContact O-N 3.07Å
855	N	82	Confident	78.9	Confident	100 Å²	100	96.7 Å²	96.7	54%	0.535	46%	0.463	S	S	.	.	H	α-helix	trans	-69.5	-35.4	-179.2	-168.4	25.7	0	0	0	113	M851 C852 M853 W858 S859	M851-N855 PolarHBondContact O-N 2.87Å; C852-N855 PolarHBondContact O-N 3.02Å; M853-N855 VanDerWaalsContact C-N 3.34Å; M853-N855 PolarHBondContact O-N 2.81Å; N855-W858 PolarHBondContact O-N 3.12Å; N855-S859 WeakPolarHBondContact O-CB 3.4Å; N855-S859 PolarHBondContact O-N 3.48Å; N855-S859 PolarHBondContact O-OG 2.87Å
856	M	79.1	Confident	78.3	Confident	33 Å²	33	101.3 Å²	101.3	16%	0.163	50%	0.495	C	S	.	.	H	α-helix	trans	-65	-44.4	176	-72.2	-162.3	-49.1	0	0	112.3	P826 N828 V829 C852 M853 W858 S859 Y860	P826-M856 HydrophobicContact CB-CE 3.86Å; P826-M856 HydrophobicContact CB-SD 4.1Å; P826-M856 HydrophobicContact CG-CE 4.47Å; P826-M856 VanDerWaalsContact O-SD 3.41Å; N828-M856 WeakPolarHBondContact O-CE 3.47Å; V829-M856 HydrophobicContact CG2-CB 4.28Å; C852-M856 WeakPolarHBondContact O-CG 3.32Å; C852-M856 PolarHBondContact O-N 3.39Å; C852-M856 VanDerWaalsContact O-N 3.13Å; M853-M856 HydrophobicContact CE-CE 4.04Å; M853-M856 PolarHBondContact O-N 3.26Å; M853-M856 HydrophobicContact SD-CE 3.71Å; M856-W858 VanDerWaalsContact C-N 3.33Å; M856-W858 PolarHBondContact O-N 3.22Å; M856-S859 PolarHBondContact O-N 2.55Å; M856-Y860 PolarHBondContact O-N 3.24Å
857	V	77.6	Confident	77.7	Confident	66 Å²	66	103.5 Å²	103.5	40%	0.4	51%	0.505	S	S	.	.	H	α-helix	trans	-59.6	-46.9	177.1	173.4	0	0	0	0	110.3	V829 M853 Q854 S859 Y860 C861	V829-V857 HydrophobicContact CG1-CG2 3.77Å; V829-V857 HydrophobicContact CG2-CG2 4.18Å; M853-V857 WeakPolarHBondContact O-CG2 3.5Å; M853-V857 PolarHBondContact O-N 2.8Å; Q854-V857 PolarHBondContact O-N 3.34Å; V857-S859 PolarHBondContact O-N 2.92Å; V857-Y860 PolarHBondContact O-N 2.93Å; V857-C861 PolarHBondContact O-N 2.88Å
858	W	79.3	Confident	77.2	Confident	155 Å²	155	105.5 Å²	105.5	59%	0.587	51%	0.506	S	S	*	.	H	α-helix	trans	-60.2	-44	177.8	-176.1	81.9	0	0	0	112.7	Q854 N855 M856 Y860 C861 K862	Q854-W858 PolarHBondContact O-N 3.07Å; N855-W858 PolarHBondContact O-N 3.12Å; M856-W858 VanDerWaalsContact C-N 3.33Å; M856-W858 PolarHBondContact O-N 3.22Å; W858-Y860 VanDerWaalsContact C-N 3.34Å; W858-Y860 PolarHBondContact O-N 3.01Å; W858-C861 PolarHBondContact O-N 3.28Å; W858-K862 HydrophobicContact CH2-CD 3.89Å; W858-K862 HydrophobicContact CZ2-CD 4.13Å; W858-K862 HydrophobicContact CZ3-CD 4.26Å; W858-K862 PolarHBondContact O-N 3.16Å
859	S	76.5	Confident	76.8	Confident	43 Å²	43	108.1 Å²	108.1	30%	0.301	52%	0.515	S	S	.	.	H	α-helix	trans	-66.1	-33.5	179.5	-65.6	0	0	0	0	113.3	N855 M856 V857 K863	N855-S859 WeakPolarHBondContact O-CB 3.4Å; N855-S859 PolarHBondContact O-N 3.48Å; N855-S859 PolarHBondContact O-OG 2.87Å; M856-S859 PolarHBondContact O-N 2.55Å; V857-S859 PolarHBondContact O-N 2.92Å; S859-K863 WeakPolarHBondContact O-CG 3.41Å; S859-K863 PolarHBondContact O-N 3.15Å
860	Y	75.3	Confident	76.4	Confident	152 Å²	152	107 Å²	107	60%	0.596	52%	0.515	S	S	*	.	H	α-helix	trans	-66	-48.8	176.2	176.9	-100.7	0	0	0	111.4	M856 V857 W858 K862 K863	M856-Y860 PolarHBondContact O-N 3.24Å; V857-Y860 PolarHBondContact O-N 2.93Å; W858-Y860 VanDerWaalsContact C-N 3.34Å; W858-Y860 PolarHBondContact O-N 3.01Å; Y860-K862 PolarHBondContact O-N 3.37Å; Y860-K863 PolarHBondContact O-N 3.01Å; Y860-K863 VanDerWaalsContact O-N 3.14Å
861	C	71.9	Confident	76.3	Confident	86 Å²	86	101.9 Å²	101.9	58%	0.581	49%	0.493	S	S	*	.	H	α-helix	trans	-59.8	-34.4	178.6	-66.2	0	0	0	0	112.7	V857 W858 K863	V857-C861 PolarHBondContact O-N 2.88Å; W858-C861 PolarHBondContact O-N 3.28Å; C861-K863 VanDerWaalsContact C-N 3.33Å; C861-K863 PolarHBondContact O-N 3.46Å
862	K	73.3	Confident	75.9	Confident	152 Å²	152	101.3 Å²	101.3	66%	0.661	49%	0.49	S	S	*	.	H	α-helix	trans	-73.8	-19.4	-179.7	-157.7	178	-178.6	-179.8	0	114.1	W858 Y860	W858-K862 HydrophobicContact CH2-CD 3.89Å; W858-K862 HydrophobicContact CZ2-CD 4.13Å; W858-K862 HydrophobicContact CZ3-CD 4.26Å; W858-K862 PolarHBondContact O-N 3.16Å; Y860-K862 PolarHBondContact O-N 3.37Å
863	K	72	Confident	75.8	Confident	178 Å²	178	103.9 Å²	103.9	77%	0.774	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-7.6	-174.8	-82.1	-179.2	178.8	-178.8	0	114.9	S859 Y860 C861 N865	S859-K863 WeakPolarHBondContact O-CG 3.41Å; S859-K863 PolarHBondContact O-N 3.15Å; Y860-K863 PolarHBondContact O-N 3.01Å; Y860-K863 VanDerWaalsContact O-N 3.14Å; C861-K863 VanDerWaalsContact C-N 3.33Å; C861-K863 PolarHBondContact O-N 3.46Å; K863-N865 PolarHBondContact O-N 3.17Å
864	I	72.3	Confident	75.8	Confident	86 Å²	86	101.7 Å²	101.7	44%	0.441	49%	0.488	S	S	.	.			trans	-77.8	119.6	179.5	-60.4	176.1	0	0	0	109.2
865	N	71.8	Confident	75.8	Confident	75 Å²	75	96.8 Å²	96.8	40%	0.401	46%	0.464	S	S	.	.			trans	-79.9	161.5	179.5	82.9	7.7	0	0	0	111.9	K863 E867 W868 K869	K863-N865 PolarHBondContact O-N 3.17Å; N865-E867 PolarHBondContact O-N 3.5Å; N865-E867 PolarHBondContact OD1-N 3.29Å; N865-W868 WeakPolarHBondContact OD1-CA 3.46Å; N865-W868 WeakPolarHBondContact OD1-CB 3.34Å; N865-W868 PolarHBondContact OD1-N 3.5Å; N865-K869 WeakPolarHBondContact O-CB 3.21Å; N865-K869 PolarHBondContact O-N 3.43Å; N865-K869 VanDerWaalsContact O-N 3.08Å
866	S	70.1	Confident	75.9	Confident	100 Å²	100	97 Å²	97	70%	0.699	46%	0.463	S	S	*	.	H	α-helix	trans	-67.4	-33.5	-176.2	52.9	0	0	0	0	113.9	K869 H870	S866-K869 WeakPolarHBondContact O-CB 3.31Å; S866-K869 PolarHBondContact O-N 3.27Å; S866-H870 PolarHBondContact O-N 3.5Å
867	E	70.2	Confident	76	Confident	153 Å²	153	96.9 Å²	96.9	72%	0.715	46%	0.463	S	S	*	.	H	α-helix	trans	-70.7	-42.6	179.5	-70.7	-179	164.1	0	0	112.4	N865 K869 H870 Q871	N865-E867 PolarHBondContact O-N 3.5Å; N865-E867 PolarHBondContact OD1-N 3.29Å; E867-K869 VanDerWaalsContact C-N 3.31Å; E867-H870 PolarHBondContact O-N 3.17Å; E867-Q871 PolarHBondContact O-N 3.13Å
868	W	73.7	Confident	76.2	Confident	145 Å²	145	93.8 Å²	93.8	55%	0.549	44%	0.444	S	S	.	.	H	α-helix	trans	-66.2	-36.5	172.9	-88.3	110.3	0	0	0	111.5	N865 H870 Q871 M872	N865-W868 WeakPolarHBondContact OD1-CA 3.46Å; N865-W868 WeakPolarHBondContact OD1-CB 3.34Å; N865-W868 PolarHBondContact OD1-N 3.5Å; W868-H870 VanDerWaalsContact C-N 3.32Å; W868-H870 PolarHBondContact O-N 3.13Å; W868-Q871 HydrophobicContact CE3-CB 4.26Å; W868-Q871 HydrophobicContact CE3-CG 4.42Å; W868-Q871 HydrophobicContact CZ3-CG 4.33Å; W868-Q871 PolarHBondContact O-N 3.02Å; W868-M872 HydrophobicContact CE3-CE 4.46Å; W868-M872 WeakPolarHBondContact O-CB 3.1Å; W868-M872 VanDerWaalsContact O-CG 3.25Å; W868-M872 WeakPolarHBondContact O-CG 3.31Å; W868-M872 PolarHBondContact O-N 3.4Å
869	K	73.9	Confident	76.4	Confident	120 Å²	120	88.2 Å²	88.2	52%	0.522	43%	0.429	S	S	.	.	H	α-helix	trans	-58.4	-47.1	171.7	-170.5	-177.2	177.6	-171.8	0	110.6	N865 S866 E867 Q871 M872 E873	N865-K869 WeakPolarHBondContact O-CB 3.21Å; N865-K869 PolarHBondContact O-N 3.43Å; N865-K869 VanDerWaalsContact O-N 3.08Å; S866-K869 WeakPolarHBondContact O-CB 3.31Å; S866-K869 PolarHBondContact O-N 3.27Å; E867-K869 VanDerWaalsContact C-N 3.31Å; K869-Q871 PolarHBondContact O-N 3.16Å; K869-M872 PolarHBondContact O-N 3.03Å; K869-E873 VanDerWaalsContact CE-OE1 3.27Å; K869-E873 WeakPolarHBondContact CE-OE1 3.25Å; K869-E873 VanDerWaalsContact O-CG 3.3Å; K869-E873 WeakPolarHBondContact O-CG 3.46Å; K869-E873 PolarHBondContact O-N 3.06Å
870	H	75.1	Confident	76.7	Confident	102 Å²	102	91.6 Å²	91.6	47%	0.472	44%	0.44	S	S	.	.	H	α-helix	trans	-65.5	-38.6	178.1	-165.2	54.8	0	0	0	112.9	S866 E867 W868 E873 Q874	S866-H870 PolarHBondContact O-N 3.5Å; E867-H870 PolarHBondContact O-N 3.17Å; W868-H870 VanDerWaalsContact C-N 3.32Å; W868-H870 PolarHBondContact O-N 3.13Å; H870-E873 IonicContact ND1-OE2 3.47Å; H870-E873 PolarHBondContact O-N 3.36Å; H870-Q874 PolarHBondContact CD2-NE2 3.44Å; H870-Q874 PolarHBondContact NE2-NE2 3.04Å; H870-Q874 WeakPolarHBondContact O-CG 3.11Å; H870-Q874 PolarHBondContact O-N 3.37Å
871	Q	78.4	Confident	76.9	Confident	29 Å²	29	85 Å²	85	14%	0.136	42%	0.415	C	S	.	.	H	α-helix	trans	-64	-42	174.4	-167.8	69.7	0.5	0	0	111.8	E867 W868 K869 K875 L896 F897	E867-Q871 PolarHBondContact O-N 3.13Å; W868-Q871 HydrophobicContact CE3-CB 4.26Å; W868-Q871 HydrophobicContact CE3-CG 4.42Å; W868-Q871 HydrophobicContact CZ3-CG 4.33Å; W868-Q871 PolarHBondContact O-N 3.02Å; K869-Q871 PolarHBondContact O-N 3.16Å; Q871-K875 WeakPolarHBondContact O-CB 3.33Å; Q871-K875 VanDerWaalsContact O-CG 3.3Å; Q871-K875 WeakPolarHBondContact O-CG 3.47Å; Q871-K875 PolarHBondContact O-N 2.9Å; Q871-L896 HydrophobicContact CG-CD2 4.18Å; Q871-L896 VanDerWaalsContact NE2-CD2 3.26Å; Q871-F897 VanDerWaalsContact NE2-N 3.2Å
872	M	76.3	Confident	77.4	Confident	114 Å²	114	80.9 Å²	80.9	56%	0.562	39%	0.387	S	S	*	.	H	α-helix	trans	-66	-40.5	176.1	-74.3	-178.8	-178.2	0	0	111.4	W868 K869 K875 M876	W868-M872 HydrophobicContact CE3-CE 4.46Å; W868-M872 WeakPolarHBondContact O-CB 3.1Å; W868-M872 VanDerWaalsContact O-CG 3.25Å; W868-M872 WeakPolarHBondContact O-CG 3.31Å; W868-M872 PolarHBondContact O-N 3.4Å; K869-M872 PolarHBondContact O-N 3.03Å; M872-K875 PolarHBondContact O-N 2.89Å; M872-M876 VanDerWaalsContact O-CB 3.29Å; M872-M876 WeakPolarHBondContact O-CB 3.35Å; M872-M876 PolarHBondContact O-N 3.27Å
873	E	80.7	Confident	77.8	Confident	82 Å²	82	78.9 Å²	78.9	38%	0.383	38%	0.378	S	S	.	.	H	α-helix	trans	-60.5	-48.3	174.6	-75.1	166.9	-178.1	0	0	111.6	K869 H870 K875 M876 I877	K869-E873 VanDerWaalsContact CE-OE1 3.27Å; K869-E873 WeakPolarHBondContact CE-OE1 3.25Å; K869-E873 VanDerWaalsContact O-CG 3.3Å; K869-E873 WeakPolarHBondContact O-CG 3.46Å; K869-E873 PolarHBondContact O-N 3.06Å; H870-E873 IonicContact ND1-OE2 3.47Å; H870-E873 PolarHBondContact O-N 3.36Å; E873-K875 VanDerWaalsContact C-N 3.33Å; E873-K875 PolarHBondContact O-N 3.45Å; E873-M876 WeakPolarHBondContact O-CB 3.24Å; E873-M876 PolarHBondContact O-N 3.46Å; E873-I877 WeakPolarHBondContact O-CG1 3.47Å; E873-I877 PolarHBondContact O-N 2.89Å
874	Q	80	Confident	78.1	Confident	26 Å²	26	77.5 Å²	77.5	12%	0.121	38%	0.38	C	S	.	.	H	α-helix	trans	-62.7	-39	177.4	-70.6	-177	40.3	0	0	112.6	H870 A878 F897 I1009	H870-Q874 PolarHBondContact CD2-NE2 3.44Å; H870-Q874 PolarHBondContact NE2-NE2 3.04Å; H870-Q874 WeakPolarHBondContact O-CG 3.11Å; H870-Q874 PolarHBondContact O-N 3.37Å; Q874-A878 WeakPolarHBondContact O-CB 3.21Å; Q874-A878 PolarHBondContact O-N 3.11Å; Q874-F897 HydrophobicContact CB-CD2 4.16Å; Q874-I1009 HydrophobicContact CG-CD1 4.04Å
875	K	82.6	Confident	78.5	Confident	35 Å²	35	79.3 Å²	79.3	15%	0.152	38%	0.384	C	S	.	.	H	α-helix	trans	-71.3	-33.7	176.4	-73	-65.9	-170.9	-174.7	0	112.6	Q871 M872 E873 A878 S879 S892 K895 F897	Q871-K875 WeakPolarHBondContact O-CB 3.33Å; Q871-K875 VanDerWaalsContact O-CG 3.3Å; Q871-K875 WeakPolarHBondContact O-CG 3.47Å; Q871-K875 PolarHBondContact O-N 2.9Å; M872-K875 PolarHBondContact O-N 2.89Å; E873-K875 VanDerWaalsContact C-N 3.33Å; E873-K875 PolarHBondContact O-N 3.45Å; K875-A878 PolarHBondContact O-N 3.27Å; K875-S879 WeakPolarHBondContact O-CB 3.32Å; K875-S879 PolarHBondContact O-N 2.88Å; K875-S892 PolarHBondContact NZ-O 3.21Å; K875-K895 VanDerWaalsContact CE-O 3.3Å; K875-K895 WeakPolarHBondContact CE-O 3.42Å; K875-K895 PolarHBondContact NZ-O 3.34Å; K875-F897 HydrophobicContact CD-CE1 4.45Å; K875-F897 HydrophobicContact CD-CE2 4.35Å; K875-F897 HydrophobicContact CD-CZ 4.2Å
876	M	83	Confident	78.9	Confident	105 Å²	105	75.9 Å²	75.9	52%	0.517	37%	0.366	S	S	.	.	H	α-helix	trans	-61.2	-48.5	172.7	-172.4	-170.1	81.7	0	0	110.1	M872 E873 A878 S879 E880	M872-M876 VanDerWaalsContact O-CB 3.29Å; M872-M876 WeakPolarHBondContact O-CB 3.35Å; M872-M876 PolarHBondContact O-N 3.27Å; E873-M876 WeakPolarHBondContact O-CB 3.24Å; E873-M876 PolarHBondContact O-N 3.46Å; M876-A878 PolarHBondContact O-N 2.88Å; M876-S879 CarbonylContact O-C 3.53Å; M876-S879 WeakPolarHBondContact O-CA 3.44Å; M876-S879 VanDerWaalsContact O-CB 3.27Å; M876-S879 WeakPolarHBondContact O-CB 3.36Å; M876-S879 PolarHBondContact O-N 3.36Å; M876-S879 VanDerWaalsContact O-N 3.07Å; M876-E880 PolarHBondContact O-N 2.91Å
877	I	82.3	Confident	79.5	Confident	31 Å²	31	72.6 Å²	72.6	16%	0.159	34%	0.341	C	S	.	.	H	α-helix	trans	-61.4	-45.2	176.2	-64	167.5	0	0	0	111.1	E873 S879 E880 I881 T1005 I1009 I1014	E873-I877 WeakPolarHBondContact O-CG1 3.47Å; E873-I877 PolarHBondContact O-N 2.89Å; I877-S879 PolarHBondContact O-N 2.76Å; I877-E880 PolarHBondContact O-N 3.1Å; I877-E880 VanDerWaalsContact O-N 3.12Å; I877-I881 HydrophobicContact CG2-CD1 3.77Å; I877-I881 HydrophobicContact CG2-CG1 4.46Å; I877-I881 WeakPolarHBondContact O-CG1 3.48Å; I877-I881 PolarHBondContact O-N 3.47Å; I877-T1005 HydrophobicContact CG2-CG2 4.17Å; I877-I1009 HydrophobicContact CD1-CD1 4.13Å; I877-I1009 HydrophobicContact CD1-CG1 4.06Å; I877-I1014 HydrophobicContact CD1-CD1 4.34Å; I877-I1014 HydrophobicContact CG1-CD1 4.49Å; I877-I1014 HydrophobicContact CG2-CD1 3.85Å; I877-I1014 HydrophobicContact CG2-CG1 4.19Å; I877-I1014 HydrophobicContact CG2-CG2 4.4Å
878	A	81.9	Confident	80	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-59.4	-35.7	175.3	0	0	0	0	0	112.1	Q874 K875 M876 F882 Y889 F897 T1005	Q874-A878 WeakPolarHBondContact O-CB 3.21Å; Q874-A878 PolarHBondContact O-N 3.11Å; K875-A878 PolarHBondContact O-N 3.27Å; M876-A878 PolarHBondContact O-N 2.88Å; A878-F882 PolarHBondContact O-N 3.03Å; A878-Y889 HydrophobicContact CB-CE2 4.04Å; A878-Y889 WeakPolarHBondContact O-CE2 3.46Å; A878-F897 HydrophobicContact CB-CE2 3.96Å; A878-F897 HydrophobicContact CB-CZ 3.92Å; A878-T1005 HydrophobicContact CB-CG2 4.1Å
879	S	82.5	Confident	80.4	Confident	38 Å²	38	60.2 Å²	60.2	27%	0.266	29%	0.289	S	S	.	.	H	α-helix	trans	-68.3	-37.8	174.8	-169.9	0	0	0	0	112.6	K875 M876 I877 I881 K883 Y889	K875-S879 WeakPolarHBondContact O-CB 3.32Å; K875-S879 PolarHBondContact O-N 2.88Å; M876-S879 CarbonylContact O-C 3.53Å; M876-S879 WeakPolarHBondContact O-CA 3.44Å; M876-S879 VanDerWaalsContact O-CB 3.27Å; M876-S879 WeakPolarHBondContact O-CB 3.36Å; M876-S879 PolarHBondContact O-N 3.36Å; M876-S879 VanDerWaalsContact O-N 3.07Å; I877-S879 PolarHBondContact O-N 2.76Å; S879-I881 VanDerWaalsContact C-N 3.35Å; S879-K883 WeakPolarHBondContact O-CB 3.48Å; S879-K883 PolarHBondContact O-N 3.42Å; S879-K883 WeakPolarHBondContact OG-CD 3.47Å; S879-Y889 WeakPolarHBondContact CA-OH 3.38Å; S879-Y889 VanDerWaalsContact CB-OH 3.23Å; S879-Y889 WeakPolarHBondContact CB-OH 3.42Å; S879-Y889 PolarHBondContact N-OH 2.76Å
880	E	82.5	Confident	80.7	Confident	115 Å²	115	57.6 Å²	57.6	54%	0.537	28%	0.284	S	S	.	.	H	α-helix	trans	-66.9	-37.3	176.5	-72.5	177.1	172.9	0	0	112	M876 I877	M876-E880 PolarHBondContact O-N 2.91Å; I877-E880 PolarHBondContact O-N 3.1Å; I877-E880 VanDerWaalsContact O-N 3.12Å
881	I	80.2	Confident	80.9	Confident	12 Å²	12	57.7 Å²	57.7	6%	0.062	29%	0.285	C	S	.	.	H	α-helix	trans	-78.7	-48.8	-177.7	-58.5	163.1	0	0	0	112	I877 S879 K885 A1008 I1014 I1017	I877-I881 HydrophobicContact CG2-CD1 3.77Å; I877-I881 HydrophobicContact CG2-CG1 4.46Å; I877-I881 WeakPolarHBondContact O-CG1 3.48Å; I877-I881 PolarHBondContact O-N 3.47Å; S879-I881 VanDerWaalsContact C-N 3.35Å; I881-K885 WeakPolarHBondContact O-CD 3.35Å; I881-A1008 HydrophobicContact CD1-CB 4.31Å; I881-I1014 HydrophobicContact CD1-CG2 3.97Å; I881-I1014 HydrophobicContact CG1-CG2 3.8Å; I881-I1017 HydrophobicContact CD1-CD1 4.15Å; I881-I1017 HydrophobicContact CG2-CB 4.32Å; I881-I1017 HydrophobicContact CG2-CD1 4Å; I881-I1017 HydrophobicContact CG2-CG2 4.19Å
882	F	82.9	Confident	80.9	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-113.9	-16.7	-163.2	-60.6	-71.8	0	0	0	115.5	A878 D884 K885 K886 Y889 I1001 L1004 I1017 I1019	A878-F882 PolarHBondContact O-N 3.03Å; F882-D884 PolarHBondContact O-N 3.38Å; F882-K885 PolarHBondContact O-N 3.41Å; F882-K886 HydrophobicContact CD1-CB 4.11Å; F882-K886 HydrophobicContact CD1-CD 4.15Å; F882-K886 HydrophobicContact CE1-CD 4.35Å; F882-K886 PolarHBondContact O-N 3.1Å; F882-Y889 HydrophobicContact CB-CD2 3.49Å; F882-Y889 VanDerWaalsContact CB-CD2 3.49Å; F882-Y889 HydrophobicContact CB-CE2 4.21Å; F882-Y889 HydrophobicContact CB-CG 3.79Å; F882-Y889 HydrophobicContact CG-CD2 4.43Å; F882-I1001 HydrophobicContact CB-CD1 4.09Å; F882-I1001 HydrophobicContact CD1-CD1 3.64Å; F882-I1001 HydrophobicContact CD2-CD1 3.95Å; F882-I1001 HydrophobicContact CD2-CG2 3.83Å; F882-I1001 HydrophobicContact CE1-CD1 4.01Å; F882-I1001 HydrophobicContact CE2-CD1 4.29Å; F882-I1001 HydrophobicContact CE2-CG2 4.14Å; F882-I1001 HydrophobicContact CG-CD1 3.62Å; F882-I1001 HydrophobicContact CG-CG2 4.46Å; F882-I1001 HydrophobicContact CZ-CD1 4.32Å; F882-L1004 HydrophobicContact CE1-CD1 4.13Å; F882-L1004 HydrophobicContact CE2-CB 4.39Å; F882-L1004 HydrophobicContact CZ-CB 3.7Å; F882-L1004 HydrophobicContact CZ-CD1 3.94Å; F882-L1004 HydrophobicContact CZ-CG 4.48Å; F882-I1017 HydrophobicContact CE1-CG2 4.5Å; F882-I1017 HydrophobicContact CZ-CD1 4.4Å; F882-I1019 HydrophobicContact CD1-CD1 4.07Å; F882-I1019 HydrophobicContact CE1-CD1 4.45Å
883	K	81.1	Confident	80.9	Confident	110 Å²	110	55.1 Å²	55.1	48%	0.478	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	127.8	-179	-170.6	-175.4	171	-173	0	109.6	S879 K885 Y889	S879-K883 WeakPolarHBondContact O-CB 3.48Å; S879-K883 PolarHBondContact O-N 3.42Å; S879-K883 WeakPolarHBondContact OG-CD 3.47Å; K883-K885 PolarHBondContact O-N 3.44Å; K883-Y889 HydrophobicContact CB-CD1 4.09Å; K883-Y889 HydrophobicContact CB-CE1 3.72Å; K883-Y889 HydrophobicContact CG-CD1 4.41Å; K883-Y889 HydrophobicContact CG-CE1 4.02Å
884	D	79	Confident	80.7	Confident	150 Å²	150	56.5 Å²	56.5	80%	0.802	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	8.9	-178.1	-47.8	-37.6	0	0	0	115.2	F882	F882-D884 PolarHBondContact O-N 3.38Å
885	K	79.9	Confident	80.6	Confident	124 Å²	124	61.2 Å²	61.2	54%	0.539	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-25.7	-179.3	-65.1	175	-175.5	167.2	0	114.6	I881 F882 K883 I1019	I881-K885 WeakPolarHBondContact O-CD 3.35Å; F882-K885 PolarHBondContact O-N 3.41Å; K883-K885 PolarHBondContact O-N 3.44Å; K885-I1019 HydrophobicContact CB-CD1 3.67Å; K885-I1019 HydrophobicContact CD-CD1 4.35Å
886	K	81.4	Confident	80.4	Confident	2 Å²	2	64.4 Å²	64.4	1%	0.009	33%	0.332	C	S	.	.	S	Bend	trans	-131.6	129.8	176	-170.5	169.4	174.7	66	0	111.5	F882 N888 Y889 V970 S971 L973 D975 I1001	F882-K886 HydrophobicContact CD1-CB 4.11Å; F882-K886 HydrophobicContact CD1-CD 4.15Å; F882-K886 HydrophobicContact CE1-CD 4.35Å; F882-K886 PolarHBondContact O-N 3.1Å; K886-N888 VanDerWaalsContact C-N 3.31Å; K886-N888 WeakPolarHBondContact CE-OD1 3.36Å; K886-N888 WeakPolarHBondContact CG-OD1 3.39Å; K886-N888 PolarHBondContact O-N 2.59Å; K886-Y889 WeakPolarHBondContact O-CB 3.3Å; K886-Y889 PolarHBondContact O-N 3.03Å; K886-Y889 VanDerWaalsContact O-N 3.12Å; K886-V970 HydrophobicContact CD-CG2 4.08Å; K886-S971 PolarHBondContact NZ-O 3.04Å; K886-S971 PolarHBondContact NZ-OG 2.89Å; K886-L973 PolarHBondContact NZ-O 3.42Å; K886-D975 PolarHBondContact NZ-O 3.34Å; K886-D975 VanDerWaalsContact NZ-O 3.15Å; K886-I1001 HydrophobicContact CD-CD1 3.88Å; K886-I1001 HydrophobicContact CG-CD1 4.48Å
887	D	80.9	Confident	80.3	Confident	32 Å²	32	60.1 Å²	60.1	17%	0.171	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-30.3	-168.7	-80.5	-6	0	0	0	114.7	Y889 P890 S972	D887-Y889 VanDerWaalsContact C-N 3.33Å; D887-Y889 PolarHBondContact O-N 3.39Å; D887-P890 WeakPolarHBondContact O-CD 3.49Å; D887-S972 PolarHBondContact N-O 3Å
888	N	81.4	Confident	80.3	Confident	20 Å²	20	61 Å²	61	11%	0.107	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	3.7	180	63.3	10.4	0	0	0	114.3	K886 S974 D975 I1001 L1061	K886-N888 VanDerWaalsContact C-N 3.31Å; K886-N888 WeakPolarHBondContact CE-OD1 3.36Å; K886-N888 WeakPolarHBondContact CG-OD1 3.39Å; K886-N888 PolarHBondContact O-N 2.59Å; N888-S974 PolarHBondContact ND2-O 3.48Å; N888-D975 PolarHBondContact ND2-O 3.34Å; N888-I1001 WeakPolarHBondContact OD1-CD1 3.27Å; N888-L1061 HydrophobicContact CB-CD1 4.07Å
889	Y	82.9	Confident	80	Confident	18 Å²	18	63.3 Å²	63.3	7%	0.071	34%	0.341	C	S	.	.	S	Bend	trans	-62.5	-46.4	179.1	176.3	-107.3	0	0	0	114.8	A878 S879 F882 K883 K886 D887 Q891 S892 V893 I1001	A878-Y889 HydrophobicContact CB-CE2 4.04Å; A878-Y889 WeakPolarHBondContact O-CE2 3.46Å; S879-Y889 WeakPolarHBondContact CA-OH 3.38Å; S879-Y889 VanDerWaalsContact CB-OH 3.23Å; S879-Y889 WeakPolarHBondContact CB-OH 3.42Å; S879-Y889 PolarHBondContact N-OH 2.76Å; F882-Y889 HydrophobicContact CB-CD2 3.49Å; F882-Y889 VanDerWaalsContact CB-CD2 3.49Å; F882-Y889 HydrophobicContact CB-CE2 4.21Å; F882-Y889 HydrophobicContact CB-CG 3.79Å; F882-Y889 HydrophobicContact CG-CD2 4.43Å; K883-Y889 HydrophobicContact CB-CD1 4.09Å; K883-Y889 HydrophobicContact CB-CE1 3.72Å; K883-Y889 HydrophobicContact CG-CD1 4.41Å; K883-Y889 HydrophobicContact CG-CE1 4.02Å; K886-Y889 WeakPolarHBondContact O-CB 3.3Å; K886-Y889 PolarHBondContact O-N 3.03Å; K886-Y889 VanDerWaalsContact O-N 3.12Å; D887-Y889 VanDerWaalsContact C-N 3.33Å; D887-Y889 PolarHBondContact O-N 3.39Å; Y889-Q891 PolarHBondContact O-N 2.91Å; Y889-Q891 VanDerWaalsContact O-N 3.17Å; Y889-S892 WeakPolarHBondContact O-CA 3.4Å; Y889-S892 WeakPolarHBondContact O-CB 3.28Å; Y889-S892 PolarHBondContact O-N 3.03Å; Y889-S892 PolarHBondContact O-OG 3.45Å; Y889-V893 HydrophobicContact CD1-CG2 4.43Å; Y889-V893 HydrophobicContact CE1-CG2 3.89Å; Y889-I1001 HydrophobicContact CD2-CG2 4.06Å
890	P	79.7	Confident	79.7	Confident	65 Å²	65	64.3 Å²	64.3	42%	0.422	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-57.5	-34.5	-178	-26.2	35.8	0	0	0	113.4	D887 S892 V893 P894	D887-P890 WeakPolarHBondContact O-CD 3.49Å; P890-S892 PolarHBondContact O-N 3.36Å; P890-V893 PolarHBondContact O-N 3.36Å; P890-P894 WeakPolarHBondContact O-CD 3.42Å
891	Q	78.9	Confident	79.6	Confident	103 Å²	103	62.6 Å²	62.6	48%	0.481	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-67.9	-19.2	177	-62.9	-176	-13.1	0	0	113.2	Y889	Y889-Q891 PolarHBondContact O-N 2.91Å; Y889-Q891 VanDerWaalsContact O-N 3.17Å
892	S	77.8	Confident	79.3	Confident	14 Å²	14	62.7 Å²	62.7	10%	0.098	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-85.3	-22.6	176.8	82.2	0	0	0	0	113.2	K875 Y889 P890 K895	K875-S892 PolarHBondContact NZ-O 3.21Å; Y889-S892 WeakPolarHBondContact O-CA 3.4Å; Y889-S892 WeakPolarHBondContact O-CB 3.28Å; Y889-S892 PolarHBondContact O-N 3.03Å; Y889-S892 PolarHBondContact O-OG 3.45Å; P890-S892 PolarHBondContact O-N 3.36Å; S892-K895 PolarHBondContact O-N 3.39Å
893	V	77.8	Confident	78.5	Confident	76 Å²	76	68.5 Å²	68.5	46%	0.461	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-50.3	-175.3	178.5	0	0	0	0	113.1	Y889 P890 K895	Y889-V893 HydrophobicContact CD1-CG2 4.43Å; Y889-V893 HydrophobicContact CE1-CG2 3.89Å; P890-V893 PolarHBondContact O-N 3.36Å; V893-K895 PolarHBondContact O-N 2.98Å
894	P	75.7	Confident	77.5	Confident	110 Å²	110	66.9 Å²	66.9	71%	0.714	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-13.6	-179.9	29.9	-35.3	0	0	0	113.6	P890	P890-P894 WeakPolarHBondContact O-CD 3.42Å
895	K	77.1	Confident	76.5	Confident	126 Å²	126	69 Å²	69	55%	0.548	39%	0.386	S	S	.	.	S	Bend	trans	-88.7	131.8	-176.6	-63.3	-178.1	-177.9	177.7	0	110.7	K875 S892 V893	K875-K895 VanDerWaalsContact CE-O 3.3Å; K875-K895 WeakPolarHBondContact CE-O 3.42Å; K875-K895 PolarHBondContact NZ-O 3.34Å; S892-K895 PolarHBondContact O-N 3.39Å; V893-K895 PolarHBondContact O-N 2.98Å
896	L	78.4	Confident	75.6	Confident	101 Å²	101	67.4 Å²	67.4	53%	0.529	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-71.5	138.1	175.9	-64	170.7	0	0	0	111.1	Q871 R901	Q871-L896 HydrophobicContact CG-CD2 4.18Å; Q871-L896 VanDerWaalsContact NE2-CD2 3.26Å; L896-R901 PolarHBondContact O-NH2 3.11Å; L896-R901 VanDerWaalsContact O-NH2 3.1Å
897	F	82.7	Confident	74.7	Confident	15 Å²	15	68.4 Å²	68.4	7%	0.066	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-76.8	130.7	167.1	-66.5	-5.7	0	0	0	109.6	Q871 Q874 K875 A878 I1001 E1002 T1005	Q871-F897 VanDerWaalsContact NE2-N 3.2Å; Q874-F897 HydrophobicContact CB-CD2 4.16Å; K875-F897 HydrophobicContact CD-CE1 4.45Å; K875-F897 HydrophobicContact CD-CE2 4.35Å; K875-F897 HydrophobicContact CD-CZ 4.2Å; A878-F897 HydrophobicContact CB-CE2 3.96Å; A878-F897 HydrophobicContact CB-CZ 3.92Å; F897-I1001 HydrophobicContact CZ-CG2 4.26Å; F897-E1002 HydrophobicContact CB-CG 4.11Å; F897-E1002 HydrophobicContact CD1-CB 3.9Å; F897-E1002 HydrophobicContact CD1-CG 3.77Å; F897-E1002 HydrophobicContact CE1-CB 3.94Å; F897-E1002 HydrophobicContact CE1-CG 4.31Å; F897-E1002 HydrophobicContact CG-CB 4.43Å; F897-E1002 HydrophobicContact CG-CG 3.9Å; F897-T1005 HydrophobicContact CE2-CG2 4.07Å
898	V	81.6	Confident	73.9	Confident	51 Å²	51	69.6 Å²	69.6	31%	0.309	40%	0.395	S	S	.	.			trans	-125.8	153.8	-170.2	-59.3	0	0	0	0	111.9	T900 R901 Y922 E1002 K1006	V898-T900 VanDerWaalsContact C-N 3.34Å; V898-T900 PolarHBondContact O-N 3.24Å; V898-R901 HydrophobicContact CG2-CG 4.14Å; V898-R901 VanDerWaalsContact CG2-NE 3.28Å; V898-Y922 WeakPolarHBondContact O-CE2 3.16Å; V898-E1002 PolarHBondContact N-OE1 2.86Å; V898-E1002 VanDerWaalsContact O-OE1 3.08Å; V898-K1006 VanDerWaalsContact C-NZ 3.31Å; V898-K1006 PolarHBondContact O-NZ 3.38Å
899	G	74.4	Confident	73.2	Confident	48 Å²	48	73.2 Å²	73.2	50%	0.495	42%	0.419	S	S	.	.	S	Bend	trans	-62.5	-28.2	-173.4	0	0	0	0	0	116.1	Y922	G899-Y922 WeakPolarHBondContact O-CA 3.37Å
900	T	76.9	Confident	72.2	Confident	59 Å²	59	79.6 Å²	79.6	36%	0.362	45%	0.447	S	S	.	.			trans	-153.9	144.7	177.8	177.3	0	0	0	0	110	V898 L902	V898-T900 VanDerWaalsContact C-N 3.34Å; V898-T900 PolarHBondContact O-N 3.24Å; T900-L902 PolarHBondContact OG1-N 2.96Å
901	R	80.4	Confident	71.5	Confident	79 Å²	79	76.7 Å²	76.7	30%	0.298	43%	0.429	S	S	.	.			trans	-114.3	7.2	174.6	-66.7	-71.4	-170	-167.2	-6.1	112.3	L896 V898 Y922 A923 V924 E1002	L896-R901 PolarHBondContact O-NH2 3.11Å; L896-R901 VanDerWaalsContact O-NH2 3.1Å; V898-R901 HydrophobicContact CG2-CG 4.14Å; V898-R901 VanDerWaalsContact CG2-NE 3.28Å; R901-Y922 HydrophobicContact CG-CE2 4.15Å; R901-A923 PolarHBondContact N-O 3.36Å; R901-V924 HydrophobicContact CB-CB 4.46Å; R901-V924 HydrophobicContact CB-CG2 4.16Å; R901-E1002 IonicContact CZ-OE2 3.07Å; R901-E1002 IonicContact NE-OE1 3.01Å; R901-E1002 IonicContact NE-OE2 2.72Å; R901-E1002 PolarHBondContact NE-OE2 2.83Å; R901-E1002 VanDerWaalsContact NE-OE2 3.07Å; R901-E1002 IonicContact NH2-OE1 3.64Å; R901-E1002 IonicContact NH2-OE2 3.82Å; R901-E1002 PolarHBondContact NH2-OE2 3.29Å
902	L	74.4	Confident	70.9	Confident	14 Å²	14	76.1 Å²	76.1	7%	0.073	43%	0.428	C	S	.	.	S	Bend	trans	-93.3	138.8	169.3	-69.2	174.5	0	0	0	109.9	T900 I907 A923 P925 Q940 L942	T900-L902 PolarHBondContact OG1-N 2.96Å; L902-I907 HydrophobicContact CB-CD1 4.04Å; L902-I907 HydrophobicContact CB-CG1 3.94Å; L902-I907 HydrophobicContact CD1-CD1 4.13Å; L902-I907 HydrophobicContact CD1-CG1 3.82Å; L902-A923 HydrophobicContact CD1-CB 3.82Å; L902-A923 HydrophobicContact CG-CB 4.29Å; L902-P925 HydrophobicContact CD2-CB 3.75Å; L902-P925 VanDerWaalsContact CD2-CD 3.49Å; L902-P925 HydrophobicContact CD2-CG 3.96Å; L902-Q940 HydrophobicContact CD1-CB 4.1Å; L902-Q940 HydrophobicContact CD1-CG 3.98Å; L902-Q940 HydrophobicContact CD2-CG 4.07Å; L902-L942 HydrophobicContact CD1-CD2 4Å
903	N	65.4	Low	70.4	Confident	121 Å²	121	83.2 Å²	83.2	65%	0.647	46%	0.46	S	S	*	.			trans	-74.2	145.7	173.4	-64	-30.2	0	0	0	109.7	E905 D906	N903-E905 PolarHBondContact O-N 3.43Å; N903-D906 PolarHBondContact O-N 3.27Å
904	G	59.8	Low	69.6	Low	77 Å²	77	82.3 Å²	82.3	79%	0.794	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-18.9	-166.2	0	0	0	0	0	116.5
905	E	58.9	Low	69.1	Low	194 Å²	194	77.5 Å²	77.5	91%	0.907	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-18.5	176.7	-64.7	-174	163.4	0	0	113.2	N903	N903-E905 PolarHBondContact O-N 3.43Å
906	D	59.9	Low	68.6	Low	91 Å²	91	74.2 Å²	74.2	49%	0.487	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-16.2	-175.9	-67.2	-40	0	0	0	113	N903 N908 Q940	N903-D906 PolarHBondContact O-N 3.27Å; D906-N908 PolarHBondContact O-N 3.1Å; D906-Q940 PolarHBondContact O-NE2 3.21Å
907	I	63.8	Low	67.8	Low	22 Å²	22	77.8 Å²	77.8	11%	0.113	45%	0.45	C	S	.	.	S	Bend	trans	-87.4	99.4	177.3	-51.2	177.8	0	0	0	108.6	L902 P909 I912 M920	L902-I907 HydrophobicContact CB-CD1 4.04Å; L902-I907 HydrophobicContact CB-CG1 3.94Å; L902-I907 HydrophobicContact CD1-CD1 4.13Å; L902-I907 HydrophobicContact CD1-CG1 3.82Å; I907-P909 WeakPolarHBondContact O-CD 3.36Å; I907-I912 HydrophobicContact CB-CD1 4.39Å; I907-I912 HydrophobicContact CG2-CD1 3.62Å; I907-I912 HydrophobicContact CG2-CG1 3.63Å; I907-M920 HydrophobicContact CD1-SD 4.46Å
908	N	62.9	Low	67.1	Low	58 Å²	58	79.4 Å²	79.4	31%	0.31	46%	0.458	S	S	.	.			trans	-57.6	122.8	178.3	-171.5	-35.7	0	0	0	110.2	D906 K910 A911 E953	D906-N908 PolarHBondContact O-N 3.1Å; N908-K910 PolarHBondContact O-N 3.07Å; N908-K910 PolarHBondContact OD1-N 2.72Å; N908-A911 VanDerWaalsContact O-CB 3.28Å; N908-A911 WeakPolarHBondContact O-CB 3.42Å; N908-A911 PolarHBondContact O-N 3.01Å; N908-E953 PolarHBondContact ND2-O 2.92Å
909	P	67.8	Low	66.7	Low	96 Å²	96	85.4 Å²	85.4	62%	0.623	48%	0.48	S	S	*	.	H	α-helix	trans	-60.1	-24	-173.4	19.4	-31.1	0	0	0	113.5	I907 A911 I912 Q913	I907-P909 WeakPolarHBondContact O-CD 3.36Å; P909-A911 VanDerWaalsContact C-N 3.26Å; P909-A911 PolarHBondContact O-N 3.49Å; P909-I912 PolarHBondContact O-N 3.38Å; P909-Q913 PolarHBondContact O-N 3.32Å
910	K	62.8	Low	66.8	Low	152 Å²	152	86.6 Å²	86.6	66%	0.661	47%	0.473	S	S	*	.	H	α-helix	trans	-64.3	-29.1	172.2	-71.7	-175.9	177.5	176.9	0	113	N908 A914	N908-K910 PolarHBondContact O-N 3.07Å; N908-K910 PolarHBondContact OD1-N 2.72Å; K910-A914 WeakPolarHBondContact O-CB 3.28Å; K910-A914 PolarHBondContact O-N 3.4Å
911	A	64.3	Low	66.9	Low	4 Å²	4	88.9 Å²	88.9	3%	0.033	48%	0.478	C	S	.	.	H	α-helix	trans	-72.5	-35.5	174.3	0	0	0	0	0	112.2	N908 P909 A914 L915 V951	N908-A911 VanDerWaalsContact O-CB 3.28Å; N908-A911 WeakPolarHBondContact O-CB 3.42Å; N908-A911 PolarHBondContact O-N 3.01Å; P909-A911 VanDerWaalsContact C-N 3.26Å; P909-A911 PolarHBondContact O-N 3.49Å; A911-A914 PolarHBondContact O-N 3.5Å; A911-L915 WeakPolarHBondContact O-CG 3.24Å; A911-L915 PolarHBondContact O-N 3.19Å; A911-V951 HydrophobicContact CB-CG1 3.7Å; A911-V951 HydrophobicContact CB-CG2 4.34Å
912	I	66.9	Low	67.1	Low	91 Å²	91	85.1 Å²	85.1	47%	0.467	46%	0.464	S	S	.	.	H	α-helix	trans	-71	-39.2	174.9	-58.4	176.1	0	0	0	110.8	I907 P909 A914 L915	I907-I912 HydrophobicContact CB-CD1 4.39Å; I907-I912 HydrophobicContact CG2-CD1 3.62Å; I907-I912 HydrophobicContact CG2-CG1 3.63Å; P909-I912 PolarHBondContact O-N 3.38Å; I912-A914 VanDerWaalsContact C-N 3.32Å; I912-A914 PolarHBondContact O-N 3.36Å; I912-L915 WeakPolarHBondContact O-CB 3.3Å; I912-L915 PolarHBondContact O-N 3.46Å
913	Q	66.1	Low	67.4	Low	162 Å²	162	84.5 Å²	84.5	76%	0.757	46%	0.461	S	S	*	.	H	α-helix	trans	-62.6	-37.2	171.2	-90.1	-179	-16.2	0	0	112.7	P909 L915 G916	P909-Q913 PolarHBondContact O-N 3.32Å; Q913-L915 PolarHBondContact O-N 3.42Å; Q913-G916 PolarHBondContact O-N 3.29Å
914	A	61.6	Low	68.4	Low	57 Å²	57	78.7 Å²	78.7	47%	0.471	43%	0.43	S	S	.	.	H	α-helix	trans	-69	-15.6	176.7	0	0	0	0	0	113.9	K910 A911 I912 G916	K910-A914 WeakPolarHBondContact O-CB 3.28Å; K910-A914 PolarHBondContact O-N 3.4Å; A911-A914 PolarHBondContact O-N 3.5Å; I912-A914 VanDerWaalsContact C-N 3.32Å; I912-A914 PolarHBondContact O-N 3.36Å; A914-G916 VanDerWaalsContact C-N 3.31Å
915	L	64.8	Low	69.6	Low	10 Å²	10	77.7 Å²	77.7	5%	0.052	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-11.1	175.8	-73.4	163.8	0	0	0	113.2	A911 I912 Q913 E918 L942 T944 I949	A911-L915 WeakPolarHBondContact O-CG 3.24Å; A911-L915 PolarHBondContact O-N 3.19Å; I912-L915 WeakPolarHBondContact O-CB 3.3Å; I912-L915 PolarHBondContact O-N 3.46Å; Q913-L915 PolarHBondContact O-N 3.42Å; L915-E918 PolarHBondContact O-N 3.04Å; L915-L942 HydrophobicContact CD1-CD1 3.84Å; L915-T944 HydrophobicContact CD2-CG2 3.71Å; L915-I949 HydrophobicContact CD2-CD1 3.18Å; L915-I949 HydrophobicContact CD2-CG1 4.4Å
916	G	66.1	Low	70.8	Confident	57 Å²	57	68.6 Å²	68.6	59%	0.588	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	-134.5	179.2	0	0	0	0	0	112.8	Q913 A914 E918	Q913-G916 PolarHBondContact O-N 3.29Å; A914-G916 VanDerWaalsContact C-N 3.31Å; G916-E918 VanDerWaalsContact C-N 3.27Å; G916-E918 PolarHBondContact O-N 3.03Å
917	N	61.7	Low	72	Confident	176 Å²	176	66.4 Å²	66.4	94%	0.941	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	0.9	179.5	-83.7	-10	0	0	0	114.4	K919	N917-K919 PolarHBondContact O-N 3.49Å
918	E	69.3	Low	73.1	Confident	48 Å²	48	66.8 Å²	66.8	22%	0.224	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-81.4	117	-178.2	-69.8	-172.8	-166.3	0	0	111.9	L915 G916 M920 T944 R959	L915-E918 PolarHBondContact O-N 3.04Å; G916-E918 VanDerWaalsContact C-N 3.27Å; G916-E918 PolarHBondContact O-N 3.03Å; E918-M920 PolarHBondContact O-N 3.41Å; E918-T944 HydrophobicContact CB-CG2 4.02Å; E918-T944 VanDerWaalsContact OE2-CB 3.3Å; E918-T944 WeakPolarHBondContact OE2-CB 3.4Å; E918-T944 PolarHBondContact OE2-OG1 2.97Å; E918-R959 IonicContact OE1-CZ 3.88Å; E918-R959 IonicContact OE1-NH1 3.84Å; E918-R959 IonicContact OE1-NH2 3.19Å; E918-R959 PolarHBondContact OE1-NH2 2.98Å; E918-R959 IonicContact OE2-NH2 3.93Å
919	K	72.1	Confident	74	Confident	178 Å²	178	65.1 Å²	65.1	77%	0.774	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-69.7	128.7	174.1	-72.4	-175.3	178.4	179.9	0	111	N917 K921	N917-K919 PolarHBondContact O-N 3.49Å; K919-K921 PolarHBondContact O-N 3.41Å
920	M	76.3	Confident	74.3	Confident	73 Å²	73	62.9 Å²	62.9	36%	0.36	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-67.6	122.8	171.7	-174.8	-171.8	80.2	0	0	110.2	I907 E918 A923 L942	I907-M920 HydrophobicContact CD1-SD 4.46Å; E918-M920 PolarHBondContact O-N 3.41Å; M920-A923 HydrophobicContact CE-CB 4.11Å; M920-A923 HydrophobicContact CG-CB 4.4Å; M920-A923 HydrophobicContact SD-CB 3.6Å; M920-L942 HydrophobicContact SD-CD2 4.1Å
921	K	79.3	Confident	74.5	Confident	106 Å²	106	58.3 Å²	58.3	46%	0.461	31%	0.309	S	S	.	.			trans	-95.2	-30.7	175.8	-75	-171.7	171.5	176.7	0	112.8	K919 L943 S945	K919-K921 PolarHBondContact O-N 3.41Å; K921-L943 PolarHBondContact N-O 3.07Å; K921-S945 VanDerWaalsContact CE-OG 3.26Å; K921-S945 WeakPolarHBondContact CE-OG 3.12Å
922	Y	84.3	Confident	74.4	Confident	1 Å²	1	67 Å²	67	0%	0.004	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	148.7	178.1	-174.4	-117.3	0	0	0	111.6	V898 G899 R901 V924 L943 E1002 T1003 K1006	V898-Y922 WeakPolarHBondContact O-CE2 3.16Å; G899-Y922 WeakPolarHBondContact O-CA 3.37Å; R901-Y922 HydrophobicContact CG-CE2 4.15Å; Y922-V924 HydrophobicContact CD1-CB 4.48Å; Y922-V924 HydrophobicContact CD1-CG1 4.34Å; Y922-V924 HydrophobicContact CE1-CB 3.65Å; Y922-V924 HydrophobicContact CE1-CG1 3.68Å; Y922-V924 HydrophobicContact CE1-CG2 4.41Å; Y922-L943 HydrophobicContact CD1-CD1 3.75Å; Y922-L943 HydrophobicContact CD1-CG 4.18Å; Y922-L943 HydrophobicContact CG-CD1 4.32Å; Y922-L943 PolarHBondContact N-O 3.35Å; Y922-L943 PolarHBondContact O-N 3.21Å; Y922-E1002 HydrophobicContact CE2-CG 4.34Å; Y922-T1003 HydrophobicContact CE1-CG2 4.05Å; Y922-T1003 WeakPolarHBondContact CE1-OG1 3.16Å; Y922-T1003 PolarHBondContact OH-OG1 3.06Å; Y922-K1006 HydrophobicContact CD1-CB 4.46Å; Y922-K1006 HydrophobicContact CD1-CD 4.08Å; Y922-K1006 HydrophobicContact CD2-CD 3.4Å; Y922-K1006 HydrophobicContact CE1-CD 4.46Å; Y922-K1006 HydrophobicContact CE2-CD 3.83Å; Y922-K1006 HydrophobicContact CG-CB 4.49Å; Y922-K1006 HydrophobicContact CG-CD 3.52Å
923	A	82.3	Confident	74.3	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	135.6	175.7	0	0	0	0	0	110.5	R901 L902 M920 L941 L942	R901-A923 PolarHBondContact N-O 3.36Å; L902-A923 HydrophobicContact CD1-CB 3.82Å; L902-A923 HydrophobicContact CG-CB 4.29Å; M920-A923 HydrophobicContact CE-CB 4.11Å; M920-A923 HydrophobicContact CG-CB 4.4Å; M920-A923 HydrophobicContact SD-CB 3.6Å; A923-L941 WeakPolarHBondContact CA-O 3.35Å; A923-L942 HydrophobicContact CB-CD2 3.38Å
924	V	85.8	Confident	74.7	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	140.5	-176.8	66	0	0	0	0	110.3	R901 Y922 V926 L941 S997 T1003	R901-V924 HydrophobicContact CB-CB 4.46Å; R901-V924 HydrophobicContact CB-CG2 4.16Å; Y922-V924 HydrophobicContact CD1-CB 4.48Å; Y922-V924 HydrophobicContact CD1-CG1 4.34Å; Y922-V924 HydrophobicContact CE1-CB 3.65Å; Y922-V924 HydrophobicContact CE1-CG1 3.68Å; Y922-V924 HydrophobicContact CE1-CG2 4.41Å; V924-V926 HydrophobicContact CG1-CG1 3.85Å; V924-L941 HydrophobicContact CG1-CB 4.03Å; V924-L941 HydrophobicContact CG1-CD2 4.31Å; V924-L941 PolarHBondContact N-O 3.41Å; V924-L941 PolarHBondContact O-N 3.47Å; V924-S997 WeakPolarHBondContact CG2-OG 3.32Å; V924-T1003 HydrophobicContact CG1-CG2 3.99Å
925	P	83.9	Confident	75.3	Confident	56 Å²	56	62.9 Å²	62.9	36%	0.364	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	136.3	169.8	28.1	-30	0	0	0	109.2	L902	L902-P925 HydrophobicContact CD2-CB 3.75Å; L902-P925 VanDerWaalsContact CD2-CD 3.49Å; L902-P925 HydrophobicContact CD2-CG 3.96Å
926	V	85.5	Confident	76	Confident	2 Å²	2	66.1 Å²	66.1	1%	0.012	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	144.7	179.5	-59.7	0	0	0	0	111.2	V924 R939 L941 L995 Q996	V924-V926 HydrophobicContact CG1-CG1 3.85Å; V926-R939 CarbonylContact C-O 3.55Å; V926-R939 HydrophobicContact CG2-CB 4.03Å; V926-R939 PolarHBondContact N-O 3.29Å; V926-R939 CarbonylContact O-C 3.53Å; V926-R939 WeakPolarHBondContact O-CA 3.29Å; V926-R939 PolarHBondContact O-N 3.38Å; V926-L941 HydrophobicContact CB-CB 4.44Å; V926-L941 HydrophobicContact CG1-CB 3.67Å; V926-L941 HydrophobicContact CG1-CD2 4.23Å; V926-L941 HydrophobicContact CG2-CB 3.82Å; V926-L995 HydrophobicContact CG2-CD1 4.42Å; V926-L995 HydrophobicContact CG2-CD2 3.95Å; V926-Q996 CarbonylContact C-O 3.57Å; V926-Q996 VanDerWaalsContact CA-O 3.22Å; V926-Q996 WeakPolarHBondContact CA-O 3.38Å; V926-Q996 WeakPolarHBondContact CB-O 3.25Å
927	T	84.9	Confident	76.8	Confident	45 Å²	45	68.7 Å²	68.7	28%	0.276	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	118.3	170.4	-58.3	0	0	0	0	108.7	Y929 L995 Q996	T927-Y929 HydrophobicContact CG2-CE2 4.14Å; T927-L995 CarbonylContact O-C 3.58Å; T927-L995 WeakPolarHBondContact O-CA 3.42Å; T927-Q996 PolarHBondContact N-O 3.27Å; T927-Q996 PolarHBondContact O-N 3.46Å
928	K	85.9	Confident	77.7	Confident	30 Å²	30	64.7 Å²	64.7	13%	0.13	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	131.3	175.2	-179.1	172.9	177.4	165.3	0	110	R937 R939 I950 V993 L995	K928-R937 PolarHBondContact N-O 2.82Å; K928-R937 PolarHBondContact O-N 2.93Å; K928-R939 HydrophobicContact CB-CB 4.32Å; K928-R939 HydrophobicContact CB-CG 3.62Å; K928-R939 HydrophobicContact CD-CG 4.42Å; K928-I950 HydrophobicContact CD-CG2 4.48Å; K928-V993 HydrophobicContact CD-CG1 4.17Å; K928-V993 HydrophobicContact CG-CG1 4.42Å; K928-L995 HydrophobicContact CB-CD2 3.69Å; K928-L995 HydrophobicContact CD-CD2 4.42Å; K928-L995 HydrophobicContact CG-CD2 3.96Å
929	Y	81.5	Confident	78.5	Confident	23 Å²	23	63.4 Å²	63.4	9%	0.09	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	128	173.7	-67.4	-89.2	0	0	0	110.3	T927 L977 V994 Q996 V1046 L1054	T927-Y929 HydrophobicContact CG2-CE2 4.14Å; Y929-L977 HydrophobicContact CD2-CD1 4.09Å; Y929-L977 HydrophobicContact CE2-CD1 3.73Å; Y929-V994 HydrophobicContact CD2-CG1 4.33Å; Y929-V994 PolarHBondContact N-O 2.81Å; Y929-Q996 HydrophobicContact CE2-CB 3.99Å; Y929-Q996 PolarHBondContact OH-OE1 2.87Å; Y929-V1046 HydrophobicContact CD1-CG1 4.47Å; Y929-V1046 HydrophobicContact CE1-CB 4.44Å; Y929-V1046 HydrophobicContact CE1-CG1 3.71Å; Y929-L1054 HydrophobicContact CG-CD2 4.46Å
930	D	74.5	Confident	79.1	Confident	50 Å²	50	56.6 Å²	56.6	27%	0.267	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-73.4	149.1	-177.8	-154.7	-10.6	0	0	0	112.1	K932 Y934 K935 R937	D930-K932 PolarHBondContact O-N 3.44Å; D930-Y934 VanDerWaalsContact O-CA 3.24Å; D930-Y934 WeakPolarHBondContact O-CA 3.42Å; D930-Y934 PolarHBondContact O-N 3.31Å; D930-Y934 VanDerWaalsContact O-N 3.13Å; D930-K935 PolarHBondContact N-O 3.28Å; D930-R937 IonicContact OD2-CZ 3.02Å; D930-R937 IonicContact OD2-NE 3.19Å; D930-R937 PolarHBondContact OD2-NE 3.28Å; D930-R937 IonicContact OD2-NH2 3.46Å; D930-R937 PolarHBondContact OD2-NH2 2.89Å
931	R	68.3	Low	79.5	Confident	56 Å²	56	53.1 Å²	53.1	21%	0.211	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-27.6	-172	-61.7	177.5	-178	151.6	3.8	113.2	K990 G991 D992 A1028	R931-K990 VanDerWaalsContact NH1-CB 3.32Å; R931-K990 VanDerWaalsContact NH2-C 3.35Å; R931-G991 VanDerWaalsContact NH2-C 3.26Å; R931-G991 PolarHBondContact NH2-O 3.42Å; R931-D992 PolarHBondContact NE-O 3.47Å; R931-D992 PolarHBondContact NH2-O 3.44Å; R931-A1028 HydrophobicContact CB-CB 4.39Å
932	K	61.9	Low	79.7	Confident	187 Å²	187	48.1 Å²	48.1	81%	0.813	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.8	96.9	174.8	-71.4	-175.4	179.3	-178.8	0	108.7	D930	D930-K932 PolarHBondContact O-N 3.44Å
933	G	65	Low	79.7	Confident	36 Å²	36	48 Å²	48	37%	0.371	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.1	8.9	172.8	0	0	0	0	0	116.7	K935	G933-K935 PolarHBondContact O-N 3.12Å; G933-K935 VanDerWaalsContact O-N 3.13Å
934	Y	72.9	Confident	79.7	Confident	30 Å²	30	48 Å²	48	12%	0.118	25%	0.247	C	C	.	.			trans	56.2	28.1	169.9	-58.5	-76.8	0	0	0	116.4	D930 S936 F1026 K1048 G1052 L1054	D930-Y934 VanDerWaalsContact O-CA 3.24Å; D930-Y934 WeakPolarHBondContact O-CA 3.42Å; D930-Y934 PolarHBondContact O-N 3.31Å; D930-Y934 VanDerWaalsContact O-N 3.13Å; Y934-S936 PolarHBondContact O-N 3.17Å; Y934-F1026 AromaticContact CE1-CE1 3.98Å; Y934-F1026 HydrophobicContact CE1-CE1 3.98Å; Y934-F1026 AromaticContact CE1-CZ 3.57Å; Y934-F1026 HydrophobicContact CE1-CZ 3.57Å; Y934-K1048 HydrophobicContact CD2-CD 4.24Å; Y934-K1048 HydrophobicContact CD2-CG 4.1Å; Y934-G1052 WeakPolarHBondContact CE2-O 3.49Å; Y934-L1054 HydrophobicContact CD1-CB 3.87Å; Y934-L1054 HydrophobicContact CD1-CD1 3.9Å; Y934-L1054 HydrophobicContact CD1-CD2 3.87Å; Y934-L1054 HydrophobicContact CD1-CG 4.1Å; Y934-L1054 HydrophobicContact CD2-CB 4.49Å; Y934-L1054 HydrophobicContact CD2-CD1 4.46Å; Y934-L1054 HydrophobicContact CE1-CB 3.75Å; Y934-L1054 HydrophobicContact CE1-CD2 4.22Å; Y934-L1054 HydrophobicContact CE1-CG 4.42Å; Y934-L1054 HydrophobicContact CE2-CB 4.44Å; Y934-L1054 HydrophobicContact CG-CB 4.23Å; Y934-L1054 HydrophobicContact CG-CD1 3.78Å; Y934-L1054 HydrophobicContact CG-CG 4.43Å
935	K	74.9	Confident	79.4	Confident	156 Å²	156	50.3 Å²	50.3	68%	0.678	26%	0.263	S	S	*	.			trans	-66	128.9	173.5	-69.1	-172.2	177.2	-174.6	0	109.9	D930 G933	D930-K935 PolarHBondContact N-O 3.28Å; G933-K935 PolarHBondContact O-N 3.12Å; G933-K935 VanDerWaalsContact O-N 3.13Å
936	S	80	Confident	79.3	Confident	78 Å²	78	52.3 Å²	52.3	55%	0.545	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	136.2	175.6	55.3	0	0	0	0	110.3	Y934	Y934-S936 PolarHBondContact O-N 3.17Å
937	R	82.3	Confident	79.1	Confident	112 Å²	112	52.2 Å²	52.2	42%	0.423	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	127.9	173.5	-54.3	-168.1	-168.6	-150.2	8.5	109.6	K928 D930 R939	K928-R937 PolarHBondContact N-O 2.82Å; K928-R937 PolarHBondContact O-N 2.93Å; D930-R937 IonicContact OD2-CZ 3.02Å; D930-R937 IonicContact OD2-NE 3.19Å; D930-R937 PolarHBondContact OD2-NE 3.28Å; D930-R937 IonicContact OD2-NH2 3.46Å; D930-R937 PolarHBondContact OD2-NH2 2.89Å; R937-R939 VanDerWaalsContact CD-NH2 3.31Å; R937-R939 PolarHBondContact O-N 3.19Å
938	S	80.9	Confident	79	Confident	92 Å²	92	50.2 Å²	50.2	64%	0.643	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.6	131.7	175.2	-172.5	0	0	0	0	110.6
939	R	85.6	Confident	78.9	Confident	21 Å²	21	48.8 Å²	48.8	8%	0.079	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	165.2	-178.6	-65.3	-64.8	179.3	-102	11.3	109.6	V926 K928 R937 I950 V951 E952	V926-R939 CarbonylContact C-O 3.55Å; V926-R939 HydrophobicContact CG2-CB 4.03Å; V926-R939 PolarHBondContact N-O 3.29Å; V926-R939 CarbonylContact O-C 3.53Å; V926-R939 WeakPolarHBondContact O-CA 3.29Å; V926-R939 PolarHBondContact O-N 3.38Å; K928-R939 HydrophobicContact CB-CB 4.32Å; K928-R939 HydrophobicContact CB-CG 3.62Å; K928-R939 HydrophobicContact CD-CG 4.42Å; R937-R939 VanDerWaalsContact CD-NH2 3.31Å; R937-R939 PolarHBondContact O-N 3.19Å; R939-I950 HydrophobicContact CB-CG2 3.83Å; R939-I950 HydrophobicContact CG-CG2 3.96Å; R939-V951 WeakPolarHBondContact CA-O 3.44Å; R939-V951 WeakPolarHBondContact CD-O 3.45Å; R939-E952 IonicContact CZ-OE1 3.84Å; R939-E952 IonicContact CZ-OE2 2.58Å; R939-E952 IonicContact NH1-OE1 3.74Å; R939-E952 PolarHBondContact NH1-OE1 3.31Å; R939-E952 IonicContact NH1-OE2 3.99Å; R939-E952 IonicContact NH2-OE1 3.53Å; R939-E952 PolarHBondContact NH2-OE1 3.37Å; R939-E952 IonicContact NH2-OE2 2.87Å; R939-E952 PolarHBondContact NH2-OE2 3.49Å
940	Q	84.3	Confident	79	Confident	35 Å²	35	47.7 Å²	47.7	16%	0.164	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	133.3	171.1	-66.5	174.4	-12.8	0	0	109.2	L902 D906 I950 V951	L902-Q940 HydrophobicContact CD1-CB 4.1Å; L902-Q940 HydrophobicContact CD1-CG 3.98Å; L902-Q940 HydrophobicContact CD2-CG 4.07Å; D906-Q940 PolarHBondContact O-NE2 3.21Å; Q940-I950 WeakPolarHBondContact O-CA 3.37Å; Q940-V951 HydrophobicContact CB-CB 4.47Å; Q940-V951 PolarHBondContact N-O 3.47Å; Q940-V951 PolarHBondContact O-N 2.86Å
941	L	84.8	Confident	79.3	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	116.6	174.2	-177.7	67	0	0	0	109	A923 V924 V926 L943 A948 I950 F978 L995 T1003 I1007	A923-L941 WeakPolarHBondContact CA-O 3.35Å; V924-L941 HydrophobicContact CG1-CB 4.03Å; V924-L941 HydrophobicContact CG1-CD2 4.31Å; V924-L941 PolarHBondContact N-O 3.41Å; V924-L941 PolarHBondContact O-N 3.47Å; V926-L941 HydrophobicContact CB-CB 4.44Å; V926-L941 HydrophobicContact CG1-CB 3.67Å; V926-L941 HydrophobicContact CG1-CD2 4.23Å; V926-L941 HydrophobicContact CG2-CB 3.82Å; L941-L943 HydrophobicContact CD1-CD2 4.4Å; L941-L943 HydrophobicContact CD2-CD2 4.29Å; L941-L943 HydrophobicContact CG-CD2 4.09Å; L941-A948 HydrophobicContact CD1-CB 4.27Å; L941-I950 HydrophobicContact CD1-CG1 4.01Å; L941-F978 HydrophobicContact CD2-CZ 4.12Å; L941-L995 HydrophobicContact CD1-CD1 4.23Å; L941-L995 HydrophobicContact CD2-CD1 4.19Å; L941-T1003 HydrophobicContact CD2-CG2 4.07Å; L941-I1007 HydrophobicContact CD2-CD1 4.19Å
942	L	84.1	Confident	79.8	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	125.6	177.7	-53.3	179.3	0	0	0	108.6	L902 L915 M920 A923 I949 V951	L902-L942 HydrophobicContact CD1-CD2 4Å; L915-L942 HydrophobicContact CD1-CD1 3.84Å; M920-L942 HydrophobicContact SD-CD2 4.1Å; A923-L942 HydrophobicContact CB-CD2 3.38Å; L942-I949 PolarHBondContact N-O 2.97Å; L942-I949 PolarHBondContact O-N 3.39Å; L942-V951 HydrophobicContact CD1-CG2 3.93Å; L942-V951 HydrophobicContact CG-CG2 4.47Å
943	L	83.4	Confident	80.1	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	122.3	175.5	-53.9	-173.8	0	0	0	109	K921 Y922 L941 A948 Y962 K1006 I1007	K921-L943 PolarHBondContact N-O 3.07Å; Y922-L943 HydrophobicContact CD1-CD1 3.75Å; Y922-L943 HydrophobicContact CD1-CG 4.18Å; Y922-L943 HydrophobicContact CG-CD1 4.32Å; Y922-L943 PolarHBondContact N-O 3.35Å; Y922-L943 PolarHBondContact O-N 3.21Å; L941-L943 HydrophobicContact CD1-CD2 4.4Å; L941-L943 HydrophobicContact CD2-CD2 4.29Å; L941-L943 HydrophobicContact CG-CD2 4.09Å; L943-A948 HydrophobicContact CD2-CB 3.72Å; L943-Y962 WeakPolarHBondContact CB-OH 3.34Å; L943-K1006 HydrophobicContact CD1-CB 4.17Å; L943-I1007 HydrophobicContact CD1-CB 4.36Å; L943-I1007 HydrophobicContact CD1-CD1 4.45Å; L943-I1007 HydrophobicContact CD1-CG1 3.39Å; L943-I1007 HydrophobicContact CD2-CD1 4.28Å; L943-I1007 HydrophobicContact CD2-CG1 3.72Å; L943-I1007 HydrophobicContact CG-CG1 4.22Å
944	T	83	Confident	80.3	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.225	C	C	.	.			trans	-101.3	-172.6	170.2	72.6	0	0	0	0	110	L915 E918 N946 S947 I949 Y962	L915-T944 HydrophobicContact CD2-CG2 3.71Å; E918-T944 HydrophobicContact CB-CG2 4.02Å; E918-T944 VanDerWaalsContact OE2-CB 3.3Å; E918-T944 WeakPolarHBondContact OE2-CB 3.4Å; E918-T944 PolarHBondContact OE2-OG1 2.97Å; T944-N946 PolarHBondContact O-N 3.15Å; T944-N946 PolarHBondContact OG1-N 3.36Å; T944-S947 PolarHBondContact N-O 2.93Å; T944-S947 PolarHBondContact OG1-N 2.9Å; T944-S947 VanDerWaalsContact OG1-N 3.1Å; T944-S947 PolarHBondContact OG1-O 3.38Å; T944-S947 PolarHBondContact OG1-OG 2.95Å; T944-I949 HydrophobicContact CG2-CD1 4.3Å; T944-Y962 WeakPolarHBondContact O-CE2 3.49Å; T944-Y962 PolarHBondContact O-OH 3.46Å
945	S	79.6	Confident	80.3	Confident	48 Å²	48	49.5 Å²	49.5	34%	0.336	25%	0.251	S	S	.	.	S	Bend	trans	-67.4	-24.9	174.5	-57.2	0	0	0	0	112.9	K921	K921-S945 VanDerWaalsContact CE-OG 3.26Å; K921-S945 WeakPolarHBondContact CE-OG 3.12Å
946	N	81.4	Confident	80.3	Confident	98 Å²	98	45.7 Å²	45.7	52%	0.524	24%	0.238	S	C	.	.	S	Bend	trans	-123	-19.4	-167.9	-61.9	-7.7	0	0	0	113.6	T944 Y962	T944-N946 PolarHBondContact O-N 3.15Å; T944-N946 PolarHBondContact OG1-N 3.36Å; N946-Y962 VanDerWaalsContact O-CD2 3.31Å; N946-Y962 WeakPolarHBondContact O-CD2 3.48Å; N946-Y962 PolarHBondContact O-N 3.36Å
947	S	81.5	Confident	80.2	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	155.2	-173.9	69.6	0	0	0	0	114	T944 I949 R959 I960 D961 Y962	T944-S947 PolarHBondContact N-O 2.93Å; T944-S947 PolarHBondContact OG1-N 2.9Å; T944-S947 VanDerWaalsContact OG1-N 3.1Å; T944-S947 PolarHBondContact OG1-O 3.38Å; T944-S947 PolarHBondContact OG1-OG 2.95Å; S947-I949 WeakPolarHBondContact OG-CD1 3.49Å; S947-R959 PolarHBondContact OG-NE 3.06Å; S947-I960 CarbonylContact C-O 3.53Å; S947-I960 VanDerWaalsContact CA-O 3.27Å; S947-I960 WeakPolarHBondContact CA-O 3.39Å; S947-I960 WeakPolarHBondContact CB-O 3.42Å; S947-D961 WeakPolarHBondContact CB-OD1 3.37Å; S947-Y962 PolarHBondContact O-OH 2.86Å
948	A	83.2	Confident	80.1	Confident	2 Å²	2	40.8 Å²	40.8	2%	0.017	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	122.9	167.9	0	0	0	0	0	109.7	L941 L943 I960 Y962	L941-A948 HydrophobicContact CD1-CB 4.27Å; L943-A948 HydrophobicContact CD2-CB 3.72Å; A948-I960 HydrophobicContact CB-CB 4.47Å; A948-I960 PolarHBondContact N-O 3.32Å; A948-I960 PolarHBondContact O-N 3.36Å; A948-Y962 HydrophobicContact CB-CE1 3.93Å
949	I	83.8	Confident	80.1	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	132.7	-170.7	-65.3	167.4	0	0	0	110.2	L915 L942 T944 S947 V951 L956 R959	L915-I949 HydrophobicContact CD2-CD1 3.18Å; L915-I949 HydrophobicContact CD2-CG1 4.4Å; L942-I949 PolarHBondContact N-O 2.97Å; L942-I949 PolarHBondContact O-N 3.39Å; T944-I949 HydrophobicContact CG2-CD1 4.3Å; S947-I949 WeakPolarHBondContact OG-CD1 3.49Å; I949-V951 HydrophobicContact CG2-CG2 3.97Å; I949-L956 HydrophobicContact CD1-CD1 4.48Å; I949-L956 HydrophobicContact CG2-CD1 3.53Å; I949-L956 HydrophobicContact CG2-CG 3.76Å; I949-R959 HydrophobicContact CD1-CG 4.32Å; I949-R959 HydrophobicContact CG1-CB 4.13Å; I949-R959 HydrophobicContact CG1-CG 3.88Å
950	I	83.8	Confident	79.9	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	123.8	180	-55.9	172.4	0	0	0	109.6	K928 R939 Q940 L941 K957 Q958 V993 L995	K928-I950 HydrophobicContact CD-CG2 4.48Å; R939-I950 HydrophobicContact CB-CG2 3.83Å; R939-I950 HydrophobicContact CG-CG2 3.96Å; Q940-I950 WeakPolarHBondContact O-CA 3.37Å; L941-I950 HydrophobicContact CD1-CG1 4.01Å; I950-K957 PolarHBondContact O-N 2.91Å; I950-Q958 HydrophobicContact CB-CB 4.45Å; I950-Q958 HydrophobicContact CD1-CB 4.45Å; I950-Q958 PolarHBondContact N-O 3.34Å; I950-Q958 PolarHBondContact O-N 2.85Å; I950-V993 HydrophobicContact CD1-CB 4.47Å; I950-V993 HydrophobicContact CD1-CG1 3.58Å; I950-V993 HydrophobicContact CD1-CG2 4.37Å; I950-L995 HydrophobicContact CD1-CD1 4.3Å; I950-L995 HydrophobicContact CD1-CD2 4.32Å
951	V	79.9	Confident	79.7	Confident	3 Å²	3	42.6 Å²	42.6	2%	0.018	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	145.2	-173.6	-175.2	0	0	0	0	111.2	A911 R939 Q940 L942 I949	A911-V951 HydrophobicContact CB-CG1 3.7Å; A911-V951 HydrophobicContact CB-CG2 4.34Å; R939-V951 WeakPolarHBondContact CA-O 3.44Å; R939-V951 WeakPolarHBondContact CD-O 3.45Å; Q940-V951 HydrophobicContact CB-CB 4.47Å; Q940-V951 PolarHBondContact N-O 3.47Å; Q940-V951 PolarHBondContact O-N 2.86Å; L942-V951 HydrophobicContact CD1-CG2 3.93Å; L942-V951 HydrophobicContact CG-CG2 4.47Å; I949-V951 HydrophobicContact CG2-CG2 3.97Å
952	E	79.9	Confident	79.5	Confident	48 Å²	48	43.1 Å²	43.1	22%	0.224	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	124.3	167.8	178.3	179.9	-135.6	0	0	108.6	R939 G954 K955 K957	R939-E952 IonicContact CZ-OE1 3.84Å; R939-E952 IonicContact CZ-OE2 2.58Å; R939-E952 IonicContact NH1-OE1 3.74Å; R939-E952 PolarHBondContact NH1-OE1 3.31Å; R939-E952 IonicContact NH1-OE2 3.99Å; R939-E952 IonicContact NH2-OE1 3.53Å; R939-E952 PolarHBondContact NH2-OE1 3.37Å; R939-E952 IonicContact NH2-OE2 2.87Å; R939-E952 PolarHBondContact NH2-OE2 3.49Å; E952-G954 PolarHBondContact O-N 3.14Å; E952-K955 PolarHBondContact N-O 2.68Å; E952-K955 VanDerWaalsContact N-O 3.16Å; E952-K955 PolarHBondContact O-N 3.39Å; E952-K957 HydrophobicContact CB-CG 4.01Å; E952-K957 WeakPolarHBondContact OE2-CE 3.44Å; E952-K957 IonicContact OE2-NZ 3.64Å; E952-K957 PolarHBondContact OE2-NZ 3.33Å
953	E	68.3	Low	79.1	Confident	180 Å²	180	46.6 Å²	46.6	84%	0.841	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	41.8	43	173.3	-63.7	-177	171.9	0	0	114.3	N908	N908-E953 PolarHBondContact ND2-O 2.92Å
954	G	67.9	Low	78.7	Confident	11 Å²	11	48.6 Å²	48.6	11%	0.113	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.1	0.2	177.6	0	0	0	0	0	117	E952	E952-G954 PolarHBondContact O-N 3.14Å
955	K	73.4	Confident	78.5	Confident	154 Å²	154	48.9 Å²	48.9	67%	0.67	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.6	131	175.4	-68.4	-178.7	-178.3	175.8	0	111.7	E952 K957	E952-K955 PolarHBondContact N-O 2.68Å; E952-K955 VanDerWaalsContact N-O 3.16Å; E952-K955 PolarHBondContact O-N 3.39Å; K955-K957 PolarHBondContact O-N 2.94Å
956	L	75.9	Confident	78.4	Confident	76 Å²	76	53.4 Å²	53.4	40%	0.398	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	118.3	175.8	-169.6	149.1	0	0	0	110	I949 R959	I949-L956 HydrophobicContact CD1-CD1 4.48Å; I949-L956 HydrophobicContact CG2-CD1 3.53Å; I949-L956 HydrophobicContact CG2-CG 3.76Å; L956-R959 HydrophobicContact CD2-CB 4.2Å
957	K	78.2	Confident	78.4	Confident	75 Å²	75	49 Å²	49	33%	0.326	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-37.5	-178	-67	-66.5	177.6	154.2	0	112.8	I950 E952 K955 K990	I950-K957 PolarHBondContact O-N 2.91Å; E952-K957 HydrophobicContact CB-CG 4.01Å; E952-K957 WeakPolarHBondContact OE2-CE 3.44Å; E952-K957 IonicContact OE2-NZ 3.64Å; E952-K957 PolarHBondContact OE2-NZ 3.33Å; K955-K957 PolarHBondContact O-N 2.94Å; K957-K990 PolarHBondContact O-NZ 2.99Å
958	Q	80.1	Confident	78.6	Confident	13 Å²	13	49.1 Å²	49.1	6%	0.061	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	132.1	-179.5	-169.7	170.2	-2.1	0	0	109	I950 I960 K990 V993	I950-Q958 HydrophobicContact CB-CB 4.45Å; I950-Q958 HydrophobicContact CD1-CB 4.45Å; I950-Q958 PolarHBondContact N-O 3.34Å; I950-Q958 PolarHBondContact O-N 2.85Å; Q958-I960 HydrophobicContact CG-CG1 4.2Å; Q958-K990 PolarHBondContact NE2-O 3.35Å; Q958-K990 VanDerWaalsContact NE2-O 3.1Å; Q958-V993 VanDerWaalsContact NE2-CG2 3.29Å; Q958-V993 VanDerWaalsContact OE1-CG2 3.27Å
959	R	80.6	Confident	78.7	Confident	104 Å²	104	49.4 Å²	49.4	39%	0.392	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	131.2	169.7	174.3	172.7	177.4	147.2	8.7	107.5	E918 S947 I949 L956 D961	E918-R959 IonicContact OE1-CZ 3.88Å; E918-R959 IonicContact OE1-NH1 3.84Å; E918-R959 IonicContact OE1-NH2 3.19Å; E918-R959 PolarHBondContact OE1-NH2 2.98Å; E918-R959 IonicContact OE2-NH2 3.93Å; S947-R959 PolarHBondContact OG-NE 3.06Å; I949-R959 HydrophobicContact CD1-CG 4.32Å; I949-R959 HydrophobicContact CG1-CB 4.13Å; I949-R959 HydrophobicContact CG1-CG 3.88Å; L956-R959 HydrophobicContact CD2-CB 4.2Å; R959-D961 IonicContact CZ-OD1 2.8Å; R959-D961 IonicContact NE-OD1 3.07Å; R959-D961 PolarHBondContact NE-OD1 3.49Å; R959-D961 IonicContact NH2-OD1 3.39Å
960	I	80.2	Confident	78.9	Confident	4 Å²	4	49.3 Å²	49.3	2%	0.021	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	103.6	178.9	-54.6	171.9	0	0	0	106.4	S947 A948 Q958 L965 L980 V982 V993	S947-I960 CarbonylContact C-O 3.53Å; S947-I960 VanDerWaalsContact CA-O 3.27Å; S947-I960 WeakPolarHBondContact CA-O 3.39Å; S947-I960 WeakPolarHBondContact CB-O 3.42Å; A948-I960 HydrophobicContact CB-CB 4.47Å; A948-I960 PolarHBondContact N-O 3.32Å; A948-I960 PolarHBondContact O-N 3.36Å; Q958-I960 HydrophobicContact CG-CG1 4.2Å; I960-L965 HydrophobicContact CG2-CD1 4.32Å; I960-L980 HydrophobicContact CD1-CB 4.44Å; I960-L980 HydrophobicContact CD1-CD1 3.98Å; I960-V982 HydrophobicContact CD1-CG2 4.11Å; I960-V982 HydrophobicContact CG1-CG2 4.29Å; I960-V982 HydrophobicContact CG2-CG2 3.73Å; I960-V993 HydrophobicContact CD1-CG2 3.9Å
961	D	81.4	Confident	79	Confident	77 Å²	77	49.4 Å²	49.4	41%	0.412	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	139.4	174.5	-61.6	-44.9	0	0	0	109.7	S947 R959 G963 A964 L965	S947-D961 WeakPolarHBondContact CB-OD1 3.37Å; R959-D961 IonicContact CZ-OD1 2.8Å; R959-D961 IonicContact NE-OD1 3.07Å; R959-D961 PolarHBondContact NE-OD1 3.49Å; R959-D961 IonicContact NH2-OD1 3.39Å; D961-G963 PolarHBondContact O-N 3.42Å; D961-A964 PolarHBondContact O-N 3.07Å; D961-L965 PolarHBondContact O-N 2.94Å
962	Y	80.5	Confident	79.1	Confident	12 Å²	12	50 Å²	50	5%	0.047	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-62.6	-27	-174.4	-65.7	-43.6	0	0	0	113.2	L943 T944 N946 S947 A948 A964 L965 I1007 C1010 A1011 K1013	L943-Y962 WeakPolarHBondContact CB-OH 3.34Å; T944-Y962 WeakPolarHBondContact O-CE2 3.49Å; T944-Y962 PolarHBondContact O-OH 3.46Å; N946-Y962 VanDerWaalsContact O-CD2 3.31Å; N946-Y962 WeakPolarHBondContact O-CD2 3.48Å; N946-Y962 PolarHBondContact O-N 3.36Å; S947-Y962 PolarHBondContact O-OH 2.86Å; A948-Y962 HydrophobicContact CB-CE1 3.93Å; Y962-A964 VanDerWaalsContact C-N 3.29Å; Y962-A964 PolarHBondContact O-N 2.92Å; Y962-L965 PolarHBondContact O-N 3.14Å; Y962-I1007 HydrophobicContact CE1-CG2 4.4Å; Y962-C1010 WeakPolarHBondContact CD2-O 3.43Å; Y962-C1010 HydrophobicContact CE2-CB 3.64Å; Y962-A1011 HydrophobicContact CD1-CB 3.62Å; Y962-A1011 HydrophobicContact CD2-CB 4.27Å; Y962-A1011 HydrophobicContact CE1-CB 4.22Å; Y962-A1011 HydrophobicContact CG-CB 3.66Å; Y962-K1013 PolarHBondContact O-NZ 3.22Å
963	G	75.1	Confident	79.2	Confident	73 Å²	73	48.2 Å²	48.2	75%	0.753	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-59.3	-38	171.8	0	0	0	0	0	113	D961	D961-G963 PolarHBondContact O-N 3.42Å
964	A	75.1	Confident	79.8	Confident	42 Å²	42	40.6 Å²	40.6	35%	0.347	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-83.5	-11.6	-179.3	0	0	0	0	0	113.9	D961 Y962 K966 P983	D961-A964 PolarHBondContact O-N 3.07Å; Y962-A964 VanDerWaalsContact C-N 3.29Å; Y962-A964 PolarHBondContact O-N 2.92Å; A964-K966 PolarHBondContact O-N 2.84Å; A964-P983 HydrophobicContact CB-CG 4.44Å; A964-P983 WeakPolarHBondContact O-CD 3.19Å
965	L	79.7	Confident	80.4	Confident	5 Å²	5	40.1 Å²	40.1	3%	0.026	22%	0.215	C	C	.	.			trans	-72.2	108.6	179.6	-173.6	70.6	0	0	0	110.5	I960 D961 Y962 I968 L980 I1007 K1013	I960-L965 HydrophobicContact CG2-CD1 4.32Å; D961-L965 PolarHBondContact O-N 2.94Å; Y962-L965 PolarHBondContact O-N 3.14Å; L965-I968 HydrophobicContact CD2-CD1 4.06Å; L965-I968 HydrophobicContact CD2-CG1 3.96Å; L965-L980 HydrophobicContact CD1-CB 3.84Å; L965-L980 HydrophobicContact CD1-CD2 4.11Å; L965-L980 HydrophobicContact CD1-CG 4.47Å; L965-I1007 HydrophobicContact CD2-CG2 4.3Å; L965-K1013 PolarHBondContact O-NZ 3.3Å
966	K	77.5	Confident	80.8	Confident	144 Å²	144	33.2 Å²	33.2	63%	0.626	19%	0.188	S	C	*	.			trans	-72.6	-34.7	-179.2	-78.2	-174.7	175.2	180	0	112.8	A964 H981	A964-K966 PolarHBondContact O-N 2.84Å; K966-H981 HydrophobicContact CB-CB 4.32Å; K966-H981 PolarHBondContact N-O 2.9Å
967	G	81	Confident	81.2	Confident	5 Å²	5	29.7 Å²	29.7	5%	0.052	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.7	172	-179.4	0	0	0	0	0	111.7	H981 S1016	G967-H981 WeakPolarHBondContact O-CB 3.41Å; G967-H981 PolarHBondContact O-N 3.07Å; G967-S1016 WeakPolarHBondContact CA-O 3.36Å
968	I	86	Confident	81.6	Confident	3 Å²	3	26.1 Å²	26.1	2%	0.015	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	124.3	178.3	-53.8	176.8	0	0	0	107.4	L965 V979 L980 L1004 I1007 S1016 I1017 N1018	L965-I968 HydrophobicContact CD2-CD1 4.06Å; L965-I968 HydrophobicContact CD2-CG1 3.96Å; I968-V979 CarbonylContact C-O 3.53Å; I968-V979 WeakPolarHBondContact CA-O 3.49Å; I968-L980 HydrophobicContact CB-CD2 4.42Å; I968-L980 HydrophobicContact CD1-CD2 4.06Å; I968-L980 HydrophobicContact CG1-CD2 3.77Å; I968-L980 HydrophobicContact CG2-CD2 4.05Å; I968-L1004 HydrophobicContact CG2-CD2 3.67Å; I968-I1007 HydrophobicContact CD1-CB 4.24Å; I968-I1007 HydrophobicContact CD1-CG2 3.51Å; I968-S1016 PolarHBondContact N-O 2.88Å; I968-I1017 HydrophobicContact CB-CG1 4.15Å; I968-I1017 HydrophobicContact CD1-CG1 4.25Å; I968-I1017 CarbonylContact O-C 3.53Å; I968-I1017 VanDerWaalsContact O-CA 3.32Å; I968-I1017 WeakPolarHBondContact O-CA 3.25Å; I968-N1018 PolarHBondContact O-N 2.93Å
969	S	85.4	Confident	81.8	Confident	7 Å²	7	25.5 Å²	25.5	5%	0.049	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	134.7	176.3	-61.4	0	0	0	0	110.3	F978 V979 H981 N1018	S969-F978 CarbonylContact O-C 3.47Å; S969-F978 WeakPolarHBondContact O-CA 3.35Å; S969-V979 PolarHBondContact N-O 3.02Å; S969-V979 PolarHBondContact O-N 3.3Å; S969-H981 WeakPolarHBondContact CB-NE2 3.48Å; S969-H981 PolarHBondContact OG-CD2 3.34Å; S969-H981 PolarHBondContact OG-NE2 3.33Å; S969-N1018 WeakPolarHBondContact CA-O 3.46Å
970	V	87.5	Confident	82	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	153.5	176.5	67.3	0	0	0	0	108.7	K886 F978 V1000 L1004 I1017 N1018 I1019 N1020	K886-V970 HydrophobicContact CD-CG2 4.08Å; V970-F978 HydrophobicContact CB-CB 4.39Å; V970-F978 HydrophobicContact CG2-CB 4.39Å; V970-V1000 HydrophobicContact CG2-CG2 4.3Å; V970-L1004 HydrophobicContact CB-CD1 3.99Å; V970-L1004 HydrophobicContact CG1-CD1 4.16Å; V970-L1004 HydrophobicContact CG2-CD1 3.98Å; V970-I1017 HydrophobicContact CG1-CG2 4.1Å; V970-N1018 PolarHBondContact N-O 3Å; V970-I1019 HydrophobicContact CG1-CB 4.39Å; V970-I1019 HydrophobicContact CG1-CG1 3.72Å; V970-I1019 CarbonylContact O-C 3.48Å; V970-I1019 VanDerWaalsContact O-CA 3.28Å; V970-I1019 WeakPolarHBondContact O-CA 3.31Å; V970-N1020 PolarHBondContact O-N 3.47Å
971	S	85.3	Confident	82.1	Confident	1 Å²	1	21.9 Å²	21.9	1%	0.007	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	162.4	173.6	73.3	0	0	0	0	111.5	K886 L973 D975 N1020	K886-S971 PolarHBondContact NZ-O 3.04Å; K886-S971 PolarHBondContact NZ-OG 2.89Å; S971-L973 VanDerWaalsContact C-N 3.32Å; S971-L973 PolarHBondContact OG-N 2.91Å; S971-D975 WeakPolarHBondContact CB-OD2 3.39Å; S971-D975 PolarHBondContact OG-OD1 3.43Å; S971-D975 PolarHBondContact OG-OD2 2.86Å; S971-N1020 WeakPolarHBondContact CA-O 3.37Å
972	S	81.8	Confident	82	Confident	17 Å²	17	19.1 Å²	19.1	12%	0.119	12%	0.124	C	C	.	.	S	Bend	trans	-77.2	-13.7	166.5	66.4	0	0	0	0	114.1	D887 N1020	D887-S972 PolarHBondContact N-O 3Å; S972-N1020 PolarHBondContact N-O 3.28Å
973	L	82.2	Confident	81.4	Confident	9 Å²	9	20.2 Å²	20.2	5%	0.047	13%	0.133	C	C	.	.	S	Bend	trans	-79.9	174.5	-176.4	-60.1	-179.6	0	0	0	111.8	K886 S971 D975 F1038 A1058 R1060	K886-L973 PolarHBondContact NZ-O 3.42Å; S971-L973 VanDerWaalsContact C-N 3.32Å; S971-L973 PolarHBondContact OG-N 2.91Å; L973-D975 PolarHBondContact O-N 3.35Å; L973-D975 VanDerWaalsContact O-N 3.15Å; L973-F1038 HydrophobicContact CD1-CB 4.13Å; L973-A1058 HydrophobicContact CB-CB 4.12Å; L973-A1058 HydrophobicContact CD1-CB 4.31Å; L973-R1060 HydrophobicContact CD2-CG 3.83Å
974	S	80.8	Confident	80.7	Confident	20 Å²	20	18.9 Å²	18.9	14%	0.14	11%	0.112	C	C	.	.	S	Bend	trans	-73.9	4.2	-177.7	70.7	0	0	0	0	115.2	N888 P1059 L1061	N888-S974 PolarHBondContact ND2-O 3.48Å; S974-P1059 VanDerWaalsContact CB-O 3.24Å; S974-P1059 WeakPolarHBondContact CB-O 3.34Å; S974-P1059 WeakPolarHBondContact OG-CG 3.22Å; S974-P1059 PolarHBondContact OG-O 3.44Å; S974-L1061 VanDerWaalsContact CB-CD1 3.42Å
975	D	80.6	Confident	79.7	Confident	2 Å²	2	24.8 Å²	24.8	1%	0.011	13%	0.132	C	C	.	.			trans	-67.8	159.7	178.9	66.2	87	0	0	0	113.3	K886 N888 S971 L973 L977 L1044 V1056 A1058	K886-D975 PolarHBondContact NZ-O 3.34Å; K886-D975 VanDerWaalsContact NZ-O 3.15Å; N888-D975 PolarHBondContact ND2-O 3.34Å; S971-D975 WeakPolarHBondContact CB-OD2 3.39Å; S971-D975 PolarHBondContact OG-OD1 3.43Å; S971-D975 PolarHBondContact OG-OD2 2.86Å; L973-D975 PolarHBondContact O-N 3.35Å; L973-D975 VanDerWaalsContact O-N 3.15Å; D975-L977 WeakPolarHBondContact OD1-CB 3.32Å; D975-L977 PolarHBondContact OD1-N 3.45Å; D975-L1044 HydrophobicContact CB-CD1 3.65Å; D975-V1056 HydrophobicContact CB-CG1 4.23Å; D975-A1058 HydrophobicContact CB-CB 3.84Å
976	G	82.9	Confident	78.2	Confident	9 Å²	9	30.4 Å²	30.4	9%	0.093	16%	0.162	C	C	.	.			trans	-93.4	11.1	177.1	0	0	0	0	0	114.3	Q996 S997	G976-Q996 CarbonylContact O-C 3.57Å; G976-Q996 VanDerWaalsContact O-CA 3.26Å; G976-Q996 WeakPolarHBondContact O-CA 3.27Å; G976-S997 WeakPolarHBondContact CA-O 3.3Å; G976-S997 PolarHBondContact O-N 3.43Å
977	L	84.2	Confident	76.9	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	133.1	-170.2	-157.1	123.2	0	0	0	111.1	Y929 D975 V994 L995 Q996 I1036 F1038 V1056	Y929-L977 HydrophobicContact CD2-CD1 4.09Å; Y929-L977 HydrophobicContact CE2-CD1 3.73Å; D975-L977 WeakPolarHBondContact OD1-CB 3.32Å; D975-L977 PolarHBondContact OD1-N 3.45Å; L977-V994 HydrophobicContact CD1-CG1 4.38Å; L977-V994 HydrophobicContact CD2-CG1 3.79Å; L977-V994 HydrophobicContact CG-CG1 4.2Å; L977-L995 CarbonylContact C-O 3.51Å; L977-L995 WeakPolarHBondContact CA-O 3.46Å; L977-Q996 HydrophobicContact CD1-CB 4.24Å; L977-I1036 HydrophobicContact CD2-CD1 3.78Å; L977-I1036 HydrophobicContact CD2-CG2 4.08Å; L977-F1038 HydrophobicContact CB-CE1 4.31Å; L977-F1038 HydrophobicContact CD2-CE1 4.11Å; L977-F1038 HydrophobicContact CD2-CZ 3.81Å; L977-V1056 HydrophobicContact CD1-CG2 4.29Å
978	F	86.5	Confident	75.5	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	152.7	178	65.7	-83.4	0	0	0	111.1	L941 S969 V970 L980 L995 V1000 T1003 L1004 I1007	L941-F978 HydrophobicContact CD2-CZ 4.12Å; S969-F978 CarbonylContact O-C 3.47Å; S969-F978 WeakPolarHBondContact O-CA 3.35Å; V970-F978 HydrophobicContact CB-CB 4.39Å; V970-F978 HydrophobicContact CG2-CB 4.39Å; F978-L980 HydrophobicContact CD2-CD2 4.09Å; F978-L980 HydrophobicContact CD2-CG 4.24Å; F978-L980 HydrophobicContact CE2-CD1 4.35Å; F978-L980 HydrophobicContact CE2-CD2 4.09Å; F978-L980 HydrophobicContact CE2-CG 4.08Å; F978-L995 HydrophobicContact CD1-CB 4.42Å; F978-L995 HydrophobicContact CD2-CB 4.47Å; F978-L995 HydrophobicContact CE1-CB 3.9Å; F978-L995 HydrophobicContact CE2-CB 3.96Å; F978-L995 HydrophobicContact CE2-CD1 3.93Å; F978-L995 HydrophobicContact CE2-CG 4.48Å; F978-L995 HydrophobicContact CZ-CB 3.65Å; F978-L995 HydrophobicContact CZ-CD1 3.9Å; F978-L995 HydrophobicContact CZ-CG 4.41Å; F978-L995 PolarHBondContact N-O 2.99Å; F978-L995 PolarHBondContact O-N 3.24Å; F978-V1000 HydrophobicContact CD1-CG2 4.05Å; F978-T1003 HydrophobicContact CZ-CG2 4.27Å; F978-L1004 HydrophobicContact CB-CD1 4.43Å; F978-L1004 HydrophobicContact CB-CD2 4.19Å; F978-L1004 HydrophobicContact CD1-CD2 4.5Å; F978-L1004 HydrophobicContact CD2-CD2 3.75Å; F978-L1004 HydrophobicContact CE2-CD2 4.22Å; F978-L1004 HydrophobicContact CG-CD2 3.9Å; F978-I1007 HydrophobicContact CE2-CD1 4.31Å
979	V	84.3	Confident	74.1	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	128.4	-178.6	-175.2	0	0	0	0	109.5	I968 S969 D992 V993 V994 I1024 F1026 I1036	I968-V979 CarbonylContact C-O 3.53Å; I968-V979 WeakPolarHBondContact CA-O 3.49Å; S969-V979 PolarHBondContact N-O 3.02Å; S969-V979 PolarHBondContact O-N 3.3Å; V979-D992 HydrophobicContact CG1-CB 4.27Å; V979-V993 WeakPolarHBondContact CA-O 3.48Å; V979-V994 HydrophobicContact CG1-CG2 4.49Å; V979-V994 HydrophobicContact CG2-CG1 4.38Å; V979-V994 HydrophobicContact CG2-CG2 4.13Å; V979-I1024 HydrophobicContact CB-CG2 4.26Å; V979-I1024 HydrophobicContact CG2-CG2 3.82Å; V979-F1026 HydrophobicContact CG1-CB 3.8Å; V979-I1036 HydrophobicContact CG2-CD1 3.86Å
980	L	84.8	Confident	72.8	Confident	1 Å²	1	51 Å²	51	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	116.2	170.2	-59.7	179.4	0	0	0	108.7	I960 L965 I968 F978 D992 V993 L995	I960-L980 HydrophobicContact CD1-CB 4.44Å; I960-L980 HydrophobicContact CD1-CD1 3.98Å; L965-L980 HydrophobicContact CD1-CB 3.84Å; L965-L980 HydrophobicContact CD1-CD2 4.11Å; L965-L980 HydrophobicContact CD1-CG 4.47Å; I968-L980 HydrophobicContact CB-CD2 4.42Å; I968-L980 HydrophobicContact CD1-CD2 4.06Å; I968-L980 HydrophobicContact CG1-CD2 3.77Å; I968-L980 HydrophobicContact CG2-CD2 4.05Å; F978-L980 HydrophobicContact CD2-CD2 4.09Å; F978-L980 HydrophobicContact CD2-CG 4.24Å; F978-L980 HydrophobicContact CE2-CD1 4.35Å; F978-L980 HydrophobicContact CE2-CD2 4.09Å; F978-L980 HydrophobicContact CE2-CG 4.08Å; L980-D992 WeakPolarHBondContact O-CA 3.36Å; L980-V993 PolarHBondContact N-O 3.34Å; L980-V993 PolarHBondContact O-N 2.98Å; L980-L995 HydrophobicContact CD1-CD1 4.14Å
981	H	82	Confident	72	Confident	32 Å²	32	51 Å²	51	15%	0.148	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	122.7	-179.3	-63.8	-69.9	0	0	0	111.4	K966 G967 S969 D992 K1025	K966-H981 HydrophobicContact CB-CB 4.32Å; K966-H981 PolarHBondContact N-O 2.9Å; G967-H981 WeakPolarHBondContact O-CB 3.41Å; G967-H981 PolarHBondContact O-N 3.07Å; S969-H981 WeakPolarHBondContact CB-NE2 3.48Å; S969-H981 PolarHBondContact OG-CD2 3.34Å; S969-H981 PolarHBondContact OG-NE2 3.33Å; H981-D992 VanDerWaalsContact CA-OD1 3.23Å; H981-D992 WeakPolarHBondContact CA-OD1 3.5Å; H981-D992 IonicContact CE1-OD2 3.89Å; H981-D992 IonicContact CG-OD2 3.77Å; H981-D992 IonicContact ND1-OD1 2.72Å; H981-D992 IonicContact ND1-OD2 3.96Å; H981-D992 PolarHBondContact ND1-OD2 2.99Å; H981-K1025 PolarHBondContact CE1-O 2.82Å
982	V	78.4	Confident	71.8	Confident	19 Å²	19	51.3 Å²	51.3	12%	0.115	26%	0.26	C	S	.	.			trans	-130.9	134.8	-174.8	-172	0	0	0	0	108.9	I960 D992	I960-V982 HydrophobicContact CD1-CG2 4.11Å; I960-V982 HydrophobicContact CG1-CG2 4.29Å; I960-V982 HydrophobicContact CG2-CG2 3.73Å; V982-D992 PolarHBondContact N-OD1 3.45Å
983	P	68.8	Low	71.8	Confident	35 Å²	35	50.5 Å²	50.5	23%	0.227	25%	0.254	C	S	.	.			trans	-59.2	145.5	179.9	21.5	-30.9	0	0	0	111.9	A964	A964-P983 HydrophobicContact CB-CG 4.44Å; A964-P983 WeakPolarHBondContact O-CD 3.19Å
984	S	60.8	Low	72	Confident	45 Å²	45	50.3 Å²	50.3	32%	0.315	25%	0.253	S	S	.	.			trans	-129.1	76.9	178	179.6	0	0	0	0	108.6
985	E	53.7	Low	72.2	Confident	165 Å²	165	49.4 Å²	49.4	77%	0.771	25%	0.247	S	C	*	.			trans	-99.9	0.9	-177.7	-67.8	-168.6	178.2	0	0	114.1
986	D	47.9	Very low	72.5	Confident	124 Å²	124	50.5 Å²	50.5	66%	0.663	25%	0.252	S	S	*	.	S	Bend	trans	-147	142.4	173.5	-93.1	-40.1	0	0	0	113.6	K988 Q989	D986-K988 PolarHBondContact O-N 3.08Å; D986-Q989 PolarHBondContact O-N 3Å; D986-Q989 VanDerWaalsContact O-N 3.08Å
987	N	50.5	Low	72.6	Confident	144 Å²	144	50.1 Å²	50.1	77%	0.77	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	4.9	-175.1	-90.4	-23.6	0	0	0	116.3
988	K	51.1	Low	72.5	Confident	208 Å²	208	57.1 Å²	57.1	90%	0.904	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.3	-6.8	176.2	-71.6	-177	178.8	174.6	0	114.7	D986	D986-K988 PolarHBondContact O-N 3.08Å
989	Q	55.5	Low	72.4	Confident	129 Å²	129	60.3 Å²	60.3	60%	0.603	30%	0.3	S	S	*	.	S	Bend	trans	-98.9	148.3	-180	-69.5	-166.6	3.3	0	0	113.7	D986	D986-Q989 PolarHBondContact O-N 3Å; D986-Q989 VanDerWaalsContact O-N 3.08Å
990	K	60	Low	72.4	Confident	110 Å²	110	60.5 Å²	60.5	48%	0.478	30%	0.301	S	S	.	.			trans	-87.7	108.2	-175.8	-66.5	178.8	-171.8	176.5	0	108.9	R931 K957 Q958	R931-K990 VanDerWaalsContact NH1-CB 3.32Å; R931-K990 VanDerWaalsContact NH2-C 3.35Å; K957-K990 PolarHBondContact O-NZ 2.99Å; Q958-K990 PolarHBondContact NE2-O 3.35Å; Q958-K990 VanDerWaalsContact NE2-O 3.1Å
991	G	70.3	Confident	72.5	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.303	C	S	.	.			trans	-60.2	-145	177.2	0	0	0	0	0	117.2	R931	R931-G991 VanDerWaalsContact NH2-C 3.26Å; R931-G991 PolarHBondContact NH2-O 3.42Å
992	D	79.8	Confident	72.7	Confident	7 Å²	7	59.7 Å²	59.7	4%	0.037	30%	0.298	C	S	.	.			trans	-57.2	153.2	-171.8	-66.5	-9.4	0	0	0	113.4	R931 V979 L980 H981 V982 F1026 T1027	R931-D992 PolarHBondContact NE-O 3.47Å; R931-D992 PolarHBondContact NH2-O 3.44Å; V979-D992 HydrophobicContact CG1-CB 4.27Å; L980-D992 WeakPolarHBondContact O-CA 3.36Å; H981-D992 VanDerWaalsContact CA-OD1 3.23Å; H981-D992 WeakPolarHBondContact CA-OD1 3.5Å; H981-D992 IonicContact CE1-OD2 3.89Å; H981-D992 IonicContact CG-OD2 3.77Å; H981-D992 IonicContact ND1-OD1 2.72Å; H981-D992 IonicContact ND1-OD2 3.96Å; H981-D992 PolarHBondContact ND1-OD2 2.99Å; V982-D992 PolarHBondContact N-OD1 3.45Å; D992-F1026 HydrophobicContact CB-CB 3.95Å; D992-F1026 HydrophobicContact CB-CD2 4.24Å; D992-F1026 WeakPolarHBondContact OD2-CA 3.26Å; D992-T1027 PolarHBondContact N-O 3.44Å; D992-T1027 PolarHBondContact OD2-N 2.83Å
993	V	82.5	Confident	73	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.006	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	119.7	-178.7	-169.7	0	0	0	0	110.6	K928 I950 Q958 I960 V979 L980 L995	K928-V993 HydrophobicContact CD-CG1 4.17Å; K928-V993 HydrophobicContact CG-CG1 4.42Å; I950-V993 HydrophobicContact CD1-CB 4.47Å; I950-V993 HydrophobicContact CD1-CG1 3.58Å; I950-V993 HydrophobicContact CD1-CG2 4.37Å; Q958-V993 VanDerWaalsContact NE2-CG2 3.29Å; Q958-V993 VanDerWaalsContact OE1-CG2 3.27Å; I960-V993 HydrophobicContact CD1-CG2 3.9Å; V979-V993 WeakPolarHBondContact CA-O 3.48Å; L980-V993 PolarHBondContact N-O 3.34Å; L980-V993 PolarHBondContact O-N 2.98Å; V993-L995 HydrophobicContact CG1-CD1 4.26Å; V993-L995 HydrophobicContact CG1-CD2 3.74Å; V993-L995 HydrophobicContact CG1-CG 3.76Å
994	V	85.5	Confident	73.8	Confident	5 Å²	5	57.1 Å²	57.1	3%	0.03	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	119.2	174.1	-173.6	0	0	0	0	109	Y929 L977 V979 F1026 I1036	Y929-V994 HydrophobicContact CD2-CG1 4.33Å; Y929-V994 PolarHBondContact N-O 2.81Å; L977-V994 HydrophobicContact CD1-CG1 4.38Å; L977-V994 HydrophobicContact CD2-CG1 3.79Å; L977-V994 HydrophobicContact CG-CG1 4.2Å; V979-V994 HydrophobicContact CG1-CG2 4.49Å; V979-V994 HydrophobicContact CG2-CG1 4.38Å; V979-V994 HydrophobicContact CG2-CG2 4.13Å; V994-F1026 HydrophobicContact CG2-CD1 3.97Å; V994-F1026 HydrophobicContact CG2-CD2 3.9Å; V994-F1026 HydrophobicContact CG2-CE1 4.02Å; V994-F1026 HydrophobicContact CG2-CE2 3.96Å; V994-F1026 HydrophobicContact CG2-CG 3.92Å; V994-F1026 HydrophobicContact CG2-CZ 4.04Å; V994-I1036 HydrophobicContact CB-CD1 4.41Å; V994-I1036 HydrophobicContact CG1-CD1 3.6Å; V994-I1036 HydrophobicContact CG2-CD1 3.88Å
995	L	86.1	Confident	75	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	153	-177.7	-62.9	178.9	0	0	0	110.7	V926 T927 K928 L941 I950 L977 F978 L980 V993	V926-L995 HydrophobicContact CG2-CD1 4.42Å; V926-L995 HydrophobicContact CG2-CD2 3.95Å; T927-L995 CarbonylContact O-C 3.58Å; T927-L995 WeakPolarHBondContact O-CA 3.42Å; K928-L995 HydrophobicContact CB-CD2 3.69Å; K928-L995 HydrophobicContact CD-CD2 4.42Å; K928-L995 HydrophobicContact CG-CD2 3.96Å; L941-L995 HydrophobicContact CD1-CD1 4.23Å; L941-L995 HydrophobicContact CD2-CD1 4.19Å; I950-L995 HydrophobicContact CD1-CD1 4.3Å; I950-L995 HydrophobicContact CD1-CD2 4.32Å; L977-L995 CarbonylContact C-O 3.51Å; L977-L995 WeakPolarHBondContact CA-O 3.46Å; F978-L995 HydrophobicContact CD1-CB 4.42Å; F978-L995 HydrophobicContact CD2-CB 4.47Å; F978-L995 HydrophobicContact CE1-CB 3.9Å; F978-L995 HydrophobicContact CE2-CB 3.96Å; F978-L995 HydrophobicContact CE2-CD1 3.93Å; F978-L995 HydrophobicContact CE2-CG 4.48Å; F978-L995 HydrophobicContact CZ-CB 3.65Å; F978-L995 HydrophobicContact CZ-CD1 3.9Å; F978-L995 HydrophobicContact CZ-CG 4.41Å; F978-L995 PolarHBondContact N-O 2.99Å; F978-L995 PolarHBondContact O-N 3.24Å; L980-L995 HydrophobicContact CD1-CD1 4.14Å; V993-L995 HydrophobicContact CG1-CD1 4.26Å; V993-L995 HydrophobicContact CG1-CD2 3.74Å; V993-L995 HydrophobicContact CG1-CG 3.76Å
996	Q	85.9	Confident	76.5	Confident	25 Å²	25	48.3 Å²	48.3	12%	0.117	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	135.6	170.9	-178.7	-178.3	-4.7	0	0	110.2	V926 T927 Y929 G976 L977	V926-Q996 CarbonylContact C-O 3.57Å; V926-Q996 VanDerWaalsContact CA-O 3.22Å; V926-Q996 WeakPolarHBondContact CA-O 3.38Å; V926-Q996 WeakPolarHBondContact CB-O 3.25Å; T927-Q996 PolarHBondContact N-O 3.27Å; T927-Q996 PolarHBondContact O-N 3.46Å; Y929-Q996 HydrophobicContact CE2-CB 3.99Å; Y929-Q996 PolarHBondContact OH-OE1 2.87Å; G976-Q996 CarbonylContact O-C 3.57Å; G976-Q996 VanDerWaalsContact O-CA 3.26Å; G976-Q996 WeakPolarHBondContact O-CA 3.27Å; L977-Q996 HydrophobicContact CD1-CB 4.24Å
997	S	85.9	Confident	78.2	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.014	20%	0.204	C	C	.	.			trans	-139.9	139.2	176.4	-175.6	0	0	0	0	111.7	V924 G976 H999 V1000	V924-S997 WeakPolarHBondContact CG2-OG 3.32Å; G976-S997 WeakPolarHBondContact CA-O 3.3Å; G976-S997 PolarHBondContact O-N 3.43Å; S997-H999 PolarHBondContact O-N 2.97Å; S997-H999 PolarHBondContact OG-N 3.43Å; S997-V1000 PolarHBondContact O-N 3.2Å
998	D	82	Confident	79.7	Confident	148 Å²	148	35.6 Å²	35.6	79%	0.791	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-18	174.6	-58.1	-29.1	0	0	0	112.7
999	H	84.4	Confident	81.2	Confident	66 Å²	66	28.7 Å²	28.7	31%	0.306	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	44.7	178.7	-61.1	-55.9	0	0	0	111.6	S997 I1001 E1002 T1003	S997-H999 PolarHBondContact O-N 2.97Å; S997-H999 PolarHBondContact OG-N 3.43Å; H999-I1001 PolarHBondContact O-N 2.93Å; H999-E1002 HydrophobicContact CB-CB 4.41Å; H999-E1002 PolarHBondContact O-N 3.48Å; H999-T1003 VanDerWaalsContact O-CB 3.29Å; H999-T1003 WeakPolarHBondContact O-CB 3.38Å; H999-T1003 PolarHBondContact O-N 3.21Å; H999-T1003 PolarHBondContact O-OG1 3.45Å
1000	V	85.2	Confident	82.4	Confident	4 Å²	4	23.7 Å²	23.7	2%	0.024	12%	0.118	C	C	.	.	H	α-helix	trans	-55.6	-45.2	-173.3	69.7	0	0	0	0	113.4	V970 F978 S997 E1002 T1003 L1004	V970-V1000 HydrophobicContact CG2-CG2 4.3Å; F978-V1000 HydrophobicContact CD1-CG2 4.05Å; S997-V1000 PolarHBondContact O-N 3.2Å; V1000-E1002 PolarHBondContact O-N 3.41Å; V1000-T1003 PolarHBondContact O-N 3.29Å; V1000-L1004 HydrophobicContact CG2-CD1 3.74Å; V1000-L1004 HydrophobicContact CG2-CG 3.99Å; V1000-L1004 VanDerWaalsContact O-CB 3.28Å; V1000-L1004 WeakPolarHBondContact O-CB 3.36Å; V1000-L1004 WeakPolarHBondContact O-CG 3.4Å; V1000-L1004 PolarHBondContact O-N 3.18Å
1001	I	85.8	Confident	83.3	Confident	8 Å²	8	19.1 Å²	19.1	4%	0.041	10%	0.101	C	C	.	.	H	α-helix	trans	-63.2	-46.7	-179.1	-59	-62.5	0	0	0	111.5	F882 K886 N888 Y889 F897 H999 T1005	F882-I1001 HydrophobicContact CB-CD1 4.09Å; F882-I1001 HydrophobicContact CD1-CD1 3.64Å; F882-I1001 HydrophobicContact CD2-CD1 3.95Å; F882-I1001 HydrophobicContact CD2-CG2 3.83Å; F882-I1001 HydrophobicContact CE1-CD1 4.01Å; F882-I1001 HydrophobicContact CE2-CD1 4.29Å; F882-I1001 HydrophobicContact CE2-CG2 4.14Å; F882-I1001 HydrophobicContact CG-CD1 3.62Å; F882-I1001 HydrophobicContact CG-CG2 4.46Å; F882-I1001 HydrophobicContact CZ-CD1 4.32Å; K886-I1001 HydrophobicContact CD-CD1 3.88Å; K886-I1001 HydrophobicContact CG-CD1 4.48Å; N888-I1001 WeakPolarHBondContact OD1-CD1 3.27Å; Y889-I1001 HydrophobicContact CD2-CG2 4.06Å; F897-I1001 HydrophobicContact CZ-CG2 4.26Å; H999-I1001 PolarHBondContact O-N 2.93Å; I1001-T1005 VanDerWaalsContact O-CB 3.31Å; I1001-T1005 WeakPolarHBondContact O-CB 3.39Å; I1001-T1005 PolarHBondContact O-N 2.86Å; I1001-T1005 PolarHBondContact O-OG1 2.8Å
1002	E	86.5	Confident	83.7	Confident	9 Å²	9	25.7 Å²	25.7	4%	0.042	14%	0.136	C	C	.	.	H	α-helix	trans	-64.6	-46.5	178.1	-179.5	179.1	175.6	0	0	110.7	F897 V898 R901 Y922 H999 V1000 T1005 K1006	F897-E1002 HydrophobicContact CB-CG 4.11Å; F897-E1002 HydrophobicContact CD1-CB 3.9Å; F897-E1002 HydrophobicContact CD1-CG 3.77Å; F897-E1002 HydrophobicContact CE1-CB 3.94Å; F897-E1002 HydrophobicContact CE1-CG 4.31Å; F897-E1002 HydrophobicContact CG-CB 4.43Å; F897-E1002 HydrophobicContact CG-CG 3.9Å; V898-E1002 PolarHBondContact N-OE1 2.86Å; V898-E1002 VanDerWaalsContact O-OE1 3.08Å; R901-E1002 IonicContact CZ-OE2 3.07Å; R901-E1002 IonicContact NE-OE1 3.01Å; R901-E1002 IonicContact NE-OE2 2.72Å; R901-E1002 PolarHBondContact NE-OE2 2.83Å; R901-E1002 VanDerWaalsContact NE-OE2 3.07Å; R901-E1002 IonicContact NH2-OE1 3.64Å; R901-E1002 IonicContact NH2-OE2 3.82Å; R901-E1002 PolarHBondContact NH2-OE2 3.29Å; Y922-E1002 HydrophobicContact CE2-CG 4.34Å; H999-E1002 HydrophobicContact CB-CB 4.41Å; H999-E1002 PolarHBondContact O-N 3.48Å; V1000-E1002 PolarHBondContact O-N 3.41Å; E1002-T1005 PolarHBondContact O-N 3.04Å; E1002-K1006 HydrophobicContact CG-CD 4.35Å; E1002-K1006 WeakPolarHBondContact O-CB 3.29Å; E1002-K1006 WeakPolarHBondContact O-CG 3.48Å; E1002-K1006 PolarHBondContact O-N 3Å
1003	T	85.1	Confident	83.6	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61.4	-49.4	-179.3	-57.5	0	0	0	0	111	Y922 V924 L941 F978 H999 V1000 K1006 I1007	Y922-T1003 HydrophobicContact CE1-CG2 4.05Å; Y922-T1003 WeakPolarHBondContact CE1-OG1 3.16Å; Y922-T1003 PolarHBondContact OH-OG1 3.06Å; V924-T1003 HydrophobicContact CG1-CG2 3.99Å; L941-T1003 HydrophobicContact CD2-CG2 4.07Å; F978-T1003 HydrophobicContact CZ-CG2 4.27Å; H999-T1003 VanDerWaalsContact O-CB 3.29Å; H999-T1003 WeakPolarHBondContact O-CB 3.38Å; H999-T1003 PolarHBondContact O-N 3.21Å; H999-T1003 PolarHBondContact O-OG1 3.45Å; V1000-T1003 PolarHBondContact O-N 3.29Å; T1003-K1006 PolarHBondContact O-N 3.41Å; T1003-I1007 HydrophobicContact CG2-CD1 3.89Å; T1003-I1007 HydrophobicContact CG2-CG1 4.47Å; T1003-I1007 VanDerWaalsContact O-CG1 3.26Å; T1003-I1007 WeakPolarHBondContact O-CG1 3.45Å; T1003-I1007 PolarHBondContact O-N 2.96Å
1004	L	86.1	Confident	83.3	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-67.8	-40.1	-179.4	-68.6	-173.6	0	0	0	112.3	F882 I968 V970 F978 V1000 K1006 I1007 A1008 I1017	F882-L1004 HydrophobicContact CE1-CD1 4.13Å; F882-L1004 HydrophobicContact CE2-CB 4.39Å; F882-L1004 HydrophobicContact CZ-CB 3.7Å; F882-L1004 HydrophobicContact CZ-CD1 3.94Å; F882-L1004 HydrophobicContact CZ-CG 4.48Å; I968-L1004 HydrophobicContact CG2-CD2 3.67Å; V970-L1004 HydrophobicContact CB-CD1 3.99Å; V970-L1004 HydrophobicContact CG1-CD1 4.16Å; V970-L1004 HydrophobicContact CG2-CD1 3.98Å; F978-L1004 HydrophobicContact CB-CD1 4.43Å; F978-L1004 HydrophobicContact CB-CD2 4.19Å; F978-L1004 HydrophobicContact CD1-CD2 4.5Å; F978-L1004 HydrophobicContact CD2-CD2 3.75Å; F978-L1004 HydrophobicContact CE2-CD2 4.22Å; F978-L1004 HydrophobicContact CG-CD2 3.9Å; V1000-L1004 HydrophobicContact CG2-CD1 3.74Å; V1000-L1004 HydrophobicContact CG2-CG 3.99Å; V1000-L1004 VanDerWaalsContact O-CB 3.28Å; V1000-L1004 WeakPolarHBondContact O-CB 3.36Å; V1000-L1004 WeakPolarHBondContact O-CG 3.4Å; V1000-L1004 PolarHBondContact O-N 3.18Å; L1004-K1006 VanDerWaalsContact C-N 3.27Å; L1004-K1006 PolarHBondContact O-N 2.89Å; L1004-I1007 HydrophobicContact CD2-CD1 4.38Å; L1004-I1007 PolarHBondContact O-N 3.4Å; L1004-A1008 VanDerWaalsContact O-CB 3.32Å; L1004-A1008 WeakPolarHBondContact O-CB 3.47Å; L1004-A1008 PolarHBondContact O-N 2.92Å; L1004-I1017 HydrophobicContact CB-CD1 4.36Å
1005	T	84.6	Confident	82.8	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.6	-41.1	174.5	-52.6	0	0	0	0	110.3	I877 A878 F897 I1001 E1002 A1008 I1009	I877-T1005 HydrophobicContact CG2-CG2 4.17Å; A878-T1005 HydrophobicContact CB-CG2 4.1Å; F897-T1005 HydrophobicContact CE2-CG2 4.07Å; I1001-T1005 VanDerWaalsContact O-CB 3.31Å; I1001-T1005 WeakPolarHBondContact O-CB 3.39Å; I1001-T1005 PolarHBondContact O-N 2.86Å; I1001-T1005 PolarHBondContact O-OG1 2.8Å; E1002-T1005 PolarHBondContact O-N 3.04Å; T1005-A1008 PolarHBondContact O-N 3.28Å; T1005-I1009 HydrophobicContact CG2-CD1 3.9Å; T1005-I1009 VanDerWaalsContact O-CG1 3.22Å; T1005-I1009 WeakPolarHBondContact O-CG1 3.37Å; T1005-I1009 PolarHBondContact O-N 3.05Å
1006	K	85.1	Confident	82.2	Confident	24 Å²	24	39.1 Å²	39.1	10%	0.104	21%	0.208	C	C	.	.	H	α-helix	trans	-70.9	-37.7	177.5	-73.9	-173.6	171.7	-150.8	0	113.6	V898 Y922 L943 E1002 T1003 L1004 A1008 I1009 C1010	V898-K1006 VanDerWaalsContact C-NZ 3.31Å; V898-K1006 PolarHBondContact O-NZ 3.38Å; Y922-K1006 HydrophobicContact CD1-CB 4.46Å; Y922-K1006 HydrophobicContact CD1-CD 4.08Å; Y922-K1006 HydrophobicContact CD2-CD 3.4Å; Y922-K1006 HydrophobicContact CE1-CD 4.46Å; Y922-K1006 HydrophobicContact CE2-CD 3.83Å; Y922-K1006 HydrophobicContact CG-CB 4.49Å; Y922-K1006 HydrophobicContact CG-CD 3.52Å; L943-K1006 HydrophobicContact CD1-CB 4.17Å; E1002-K1006 HydrophobicContact CG-CD 4.35Å; E1002-K1006 WeakPolarHBondContact O-CB 3.29Å; E1002-K1006 WeakPolarHBondContact O-CG 3.48Å; E1002-K1006 PolarHBondContact O-N 3Å; T1003-K1006 PolarHBondContact O-N 3.41Å; L1004-K1006 VanDerWaalsContact C-N 3.27Å; L1004-K1006 PolarHBondContact O-N 2.89Å; K1006-A1008 VanDerWaalsContact C-N 3.34Å; K1006-I1009 PolarHBondContact O-N 2.76Å; K1006-C1010 WeakPolarHBondContact O-CB 3.47Å; K1006-C1010 PolarHBondContact O-N 3.28Å; K1006-C1010 PolarHBondContact O-SG 3.38Å
1007	I	83.3	Confident	82	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-62.8	-45.1	172.1	-65.6	168.9	0	0	0	109.6	L941 L943 Y962 L965 I968 F978 T1003 L1004 I1009 C1010 A1011	L941-I1007 HydrophobicContact CD2-CD1 4.19Å; L943-I1007 HydrophobicContact CD1-CB 4.36Å; L943-I1007 HydrophobicContact CD1-CD1 4.45Å; L943-I1007 HydrophobicContact CD1-CG1 3.39Å; L943-I1007 HydrophobicContact CD2-CD1 4.28Å; L943-I1007 HydrophobicContact CD2-CG1 3.72Å; L943-I1007 HydrophobicContact CG-CG1 4.22Å; Y962-I1007 HydrophobicContact CE1-CG2 4.4Å; L965-I1007 HydrophobicContact CD2-CG2 4.3Å; I968-I1007 HydrophobicContact CD1-CB 4.24Å; I968-I1007 HydrophobicContact CD1-CG2 3.51Å; F978-I1007 HydrophobicContact CE2-CD1 4.31Å; T1003-I1007 HydrophobicContact CG2-CD1 3.89Å; T1003-I1007 HydrophobicContact CG2-CG1 4.47Å; T1003-I1007 VanDerWaalsContact O-CG1 3.26Å; T1003-I1007 WeakPolarHBondContact O-CG1 3.45Å; T1003-I1007 PolarHBondContact O-N 2.96Å; L1004-I1007 HydrophobicContact CD2-CD1 4.38Å; L1004-I1007 PolarHBondContact O-N 3.4Å; I1007-I1009 PolarHBondContact O-N 2.84Å; I1007-C1010 PolarHBondContact O-N 3.25Å; I1007-A1011 WeakPolarHBondContact O-CB 3.46Å; I1007-A1011 PolarHBondContact O-N 3.27Å
1008	A	82.8	Confident	81.8	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-60.8	-42.6	178.5	0	0	0	0	0	112.7	I881 L1004 T1005 K1006 D1012 K1013 I1014 I1017	I881-A1008 HydrophobicContact CD1-CB 4.31Å; L1004-A1008 VanDerWaalsContact O-CB 3.32Å; L1004-A1008 WeakPolarHBondContact O-CB 3.47Å; L1004-A1008 PolarHBondContact O-N 2.92Å; T1005-A1008 PolarHBondContact O-N 3.28Å; K1006-A1008 VanDerWaalsContact C-N 3.34Å; A1008-D1012 WeakPolarHBondContact O-CA 3.44Å; A1008-D1012 PolarHBondContact O-N 2.9Å; A1008-K1013 PolarHBondContact O-N 2.82Å; A1008-I1014 HydrophobicContact CB-CG1 4.1Å; A1008-I1017 HydrophobicContact CB-CD1 3.85Å
1009	I	83	Confident	81.7	Confident	64 Å²	64	37.8 Å²	37.8	33%	0.328	20%	0.201	S	C	.	.	H	α-helix	trans	-67.5	-42.5	175.8	-67.9	166.6	0	0	0	111.3	Q874 I877 T1005 K1006 I1007	Q874-I1009 HydrophobicContact CG-CD1 4.04Å; I877-I1009 HydrophobicContact CD1-CD1 4.13Å; I877-I1009 HydrophobicContact CD1-CG1 4.06Å; T1005-I1009 HydrophobicContact CG2-CD1 3.9Å; T1005-I1009 VanDerWaalsContact O-CG1 3.22Å; T1005-I1009 WeakPolarHBondContact O-CG1 3.37Å; T1005-I1009 PolarHBondContact O-N 3.05Å; K1006-I1009 PolarHBondContact O-N 2.76Å; I1007-I1009 PolarHBondContact O-N 2.84Å
1010	C	81.5	Confident	81.4	Confident	23 Å²	23	37.5 Å²	37.5	16%	0.155	20%	0.201	C	C	.	.	H	α-helix	trans	-73.7	-32	-178.8	-64.2	0	0	0	0	112.8	Y962 K1006 I1007	Y962-C1010 WeakPolarHBondContact CD2-O 3.43Å; Y962-C1010 HydrophobicContact CE2-CB 3.64Å; K1006-C1010 WeakPolarHBondContact O-CB 3.47Å; K1006-C1010 PolarHBondContact O-N 3.28Å; K1006-C1010 PolarHBondContact O-SG 3.38Å; I1007-C1010 PolarHBondContact O-N 3.25Å
1011	A	77.8	Confident	80.9	Confident	14 Å²	14	45.2 Å²	45.2	12%	0.116	24%	0.237	C	C	.	.	H	α-helix	trans	-89.9	-5.9	178.8	0	0	0	0	0	113.8	Y962 I1007 K1013	Y962-A1011 HydrophobicContact CD1-CB 3.62Å; Y962-A1011 HydrophobicContact CD2-CB 4.27Å; Y962-A1011 HydrophobicContact CE1-CB 4.22Å; Y962-A1011 HydrophobicContact CG-CB 3.66Å; I1007-A1011 WeakPolarHBondContact O-CB 3.46Å; I1007-A1011 PolarHBondContact O-N 3.27Å; A1011-K1013 HydrophobicContact CB-CB 4.22Å; A1011-K1013 WeakPolarHBondContact O-CG 3.25Å; A1011-K1013 PolarHBondContact O-N 3Å
1012	D	79.4	Confident	80.4	Confident	139 Å²	139	46.9 Å²	46.9	74%	0.743	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	42.2	-170.8	-160.4	28.2	0	0	0	113.4	A1008	A1008-D1012 WeakPolarHBondContact O-CA 3.44Å; A1008-D1012 PolarHBondContact O-N 2.9Å
1013	K	76.7	Confident	80	Confident	53 Å²	53	48.6 Å²	48.6	23%	0.23	27%	0.269	C	S	.	.			trans	-129.1	47.6	-172.4	-81.1	178.6	179.9	175.1	0	111.7	Y962 L965 A1008 A1011 N1015 S1016	Y962-K1013 PolarHBondContact O-NZ 3.22Å; L965-K1013 PolarHBondContact O-NZ 3.3Å; A1008-K1013 PolarHBondContact O-N 2.82Å; A1011-K1013 HydrophobicContact CB-CB 4.22Å; A1011-K1013 WeakPolarHBondContact O-CG 3.25Å; A1011-K1013 PolarHBondContact O-N 3Å; K1013-N1015 VanDerWaalsContact C-N 3.26Å; K1013-N1015 PolarHBondContact O-N 3.44Å; K1013-S1016 PolarHBondContact O-N 3.39Å; K1013-S1016 VanDerWaalsContact O-N 3.1Å
1014	I	75.9	Confident	79.9	Confident	47 Å²	47	48.6 Å²	48.6	24%	0.241	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-57.8	-39.3	-179.8	-65.3	169.3	0	0	0	111.5	I877 I881 A1008 S1016	I877-I1014 HydrophobicContact CD1-CD1 4.34Å; I877-I1014 HydrophobicContact CG1-CD1 4.49Å; I877-I1014 HydrophobicContact CG2-CD1 3.85Å; I877-I1014 HydrophobicContact CG2-CG1 4.19Å; I877-I1014 HydrophobicContact CG2-CG2 4.4Å; I881-I1014 HydrophobicContact CD1-CG2 3.97Å; I881-I1014 HydrophobicContact CG1-CG2 3.8Å; A1008-I1014 HydrophobicContact CB-CG1 4.1Å; I1014-S1016 VanDerWaalsContact C-N 3.27Å; I1014-S1016 PolarHBondContact O-N 3.26Å
1015	N	76.1	Confident	79.6	Confident	159 Å²	159	54.5 Å²	54.5	85%	0.85	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-80	-1.4	-179.7	-64.3	-27.4	0	0	0	114.2	K1013	K1013-N1015 VanDerWaalsContact C-N 3.26Å; K1013-N1015 PolarHBondContact O-N 3.44Å
1016	S	74	Confident	79.3	Confident	36 Å²	36	54.8 Å²	54.8	25%	0.252	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-99.6	7.7	-177.3	-49.6	0	0	0	0	113.6	G967 I968 K1013 I1014	G967-S1016 WeakPolarHBondContact CA-O 3.36Å; I968-S1016 PolarHBondContact N-O 2.88Å; K1013-S1016 PolarHBondContact O-N 3.39Å; K1013-S1016 VanDerWaalsContact O-N 3.1Å; I1014-S1016 VanDerWaalsContact C-N 3.27Å; I1014-S1016 PolarHBondContact O-N 3.26Å
1017	I	81.2	Confident	78.7	Confident	18 Å²	18	56 Å²	56	9%	0.092	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	109.7	171.8	-63.9	171.6	0	0	0	108.7	I881 F882 I968 V970 L1004 A1008 I1019	I881-I1017 HydrophobicContact CD1-CD1 4.15Å; I881-I1017 HydrophobicContact CG2-CB 4.32Å; I881-I1017 HydrophobicContact CG2-CD1 4Å; I881-I1017 HydrophobicContact CG2-CG2 4.19Å; F882-I1017 HydrophobicContact CE1-CG2 4.5Å; F882-I1017 HydrophobicContact CZ-CD1 4.4Å; I968-I1017 HydrophobicContact CB-CG1 4.15Å; I968-I1017 HydrophobicContact CD1-CG1 4.25Å; I968-I1017 CarbonylContact O-C 3.53Å; I968-I1017 VanDerWaalsContact O-CA 3.32Å; I968-I1017 WeakPolarHBondContact O-CA 3.25Å; V970-I1017 HydrophobicContact CG1-CG2 4.1Å; L1004-I1017 HydrophobicContact CB-CD1 4.36Å; A1008-I1017 HydrophobicContact CB-CD1 3.85Å; I1017-I1019 HydrophobicContact CG2-CG1 4.35Å
1018	N	80.6	Confident	77.7	Confident	85 Å²	85	56.8 Å²	56.8	46%	0.455	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	121.3	175.4	-65.5	-38.1	0	0	0	109.6	I968 S969 V970	I968-N1018 PolarHBondContact O-N 2.93Å; S969-N1018 WeakPolarHBondContact CA-O 3.46Å; V970-N1018 PolarHBondContact N-O 3Å
1019	I	81.3	Confident	76.6	Confident	44 Å²	44	58.1 Å²	58.1	23%	0.226	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	106.7	175.9	-56	176.6	0	0	0	107.7	F882 K885 V970 I1017	F882-I1019 HydrophobicContact CD1-CD1 4.07Å; F882-I1019 HydrophobicContact CE1-CD1 4.45Å; K885-I1019 HydrophobicContact CB-CD1 3.67Å; K885-I1019 HydrophobicContact CD-CD1 4.35Å; V970-I1019 HydrophobicContact CG1-CB 4.39Å; V970-I1019 HydrophobicContact CG1-CG1 3.72Å; V970-I1019 CarbonylContact O-C 3.48Å; V970-I1019 VanDerWaalsContact O-CA 3.28Å; V970-I1019 WeakPolarHBondContact O-CA 3.31Å; I1017-I1019 HydrophobicContact CG2-CG1 4.35Å
1020	N	78.4	Confident	75.2	Confident	59 Å²	59	61 Å²	61	32%	0.316	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	139	-174.8	-70.8	30.7	0	0	0	111.1	V970 S971 S972 I1024	V970-N1020 PolarHBondContact O-N 3.47Å; S971-N1020 WeakPolarHBondContact CA-O 3.37Å; S972-N1020 PolarHBondContact N-O 3.28Å; N1020-I1024 HydrophobicContact CB-CG1 4.04Å
1021	Q	73.9	Confident	74.1	Confident	166 Å²	166	62.7 Å²	62.7	78%	0.776	36%	0.363	S	S	*	.	S	Bend	trans	-97.2	125.4	170.3	-62.5	-173.1	-3.9	0	0	108.9
1022	G	74.6	Confident	73.5	Confident	43 Å²	43	69.8 Å²	69.8	44%	0.443	39%	0.391	S	S	.	.	S	Bend	trans	100	-74.3	174.7	0	0	0	0	0	113.7	F1038	G1022-F1038 WeakPolarHBondContact O-CA 3.32Å; G1022-F1038 WeakPolarHBondContact O-CB 3.42Å; G1022-F1038 PolarHBondContact O-N 2.9Å
1023	S	79	Confident	73	Confident	45 Å²	45	69.5 Å²	69.5	32%	0.315	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	151.4	-177.4	66.3	0	0	0	0	114.8	I1036 D1037	S1023-I1036 CarbonylContact C-O 3.52Å; S1023-I1036 WeakPolarHBondContact CA-O 3.49Å; S1023-I1036 VanDerWaalsContact CB-O 3.26Å; S1023-I1036 WeakPolarHBondContact CB-O 3.27Å; S1023-D1037 WeakPolarHBondContact CB-OD1 3.31Å
1024	I	82.7	Confident	72.9	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.005	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	123.3	175.3	-63	172.6	0	0	0	108.3	V979 N1020 I1036 F1038	V979-I1024 HydrophobicContact CB-CG2 4.26Å; V979-I1024 HydrophobicContact CG2-CG2 3.82Å; N1020-I1024 HydrophobicContact CB-CG1 4.04Å; I1024-I1036 PolarHBondContact N-O 3.41Å; I1024-I1036 PolarHBondContact O-N 2.86Å; I1024-F1038 HydrophobicContact CB-CE2 3.98Å; I1024-F1038 HydrophobicContact CD1-CE2 3.49Å; I1024-F1038 VanDerWaalsContact CD1-CE2 3.49Å; I1024-F1038 HydrophobicContact CD1-CZ 3.74Å; I1024-F1038 HydrophobicContact CG1-CD2 4.4Å; I1024-F1038 HydrophobicContact CG1-CE2 3.59Å; I1024-F1038 HydrophobicContact CG1-CZ 4.34Å
1025	K	79.7	Confident	73.1	Confident	124 Å²	124	66.8 Å²	66.8	54%	0.539	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	138.3	172.5	-59	-171.7	177.4	-175.5	0	109.6	H981 I1035	H981-K1025 PolarHBondContact CE1-O 2.82Å; K1025-I1035 HydrophobicContact CG-CD1 4.49Å; K1025-I1035 HydrophobicContact CG-CG1 4.21Å
1026	F	78	Confident	73.3	Confident	6 Å²	6	59.2 Å²	59.2	3%	0.026	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	152.5	176.1	74.8	-87.1	0	0	0	111	Y934 V979 D992 V994 G1034 I1036	Y934-F1026 AromaticContact CE1-CE1 3.98Å; Y934-F1026 HydrophobicContact CE1-CE1 3.98Å; Y934-F1026 AromaticContact CE1-CZ 3.57Å; Y934-F1026 HydrophobicContact CE1-CZ 3.57Å; V979-F1026 HydrophobicContact CG1-CB 3.8Å; D992-F1026 HydrophobicContact CB-CB 3.95Å; D992-F1026 HydrophobicContact CB-CD2 4.24Å; D992-F1026 WeakPolarHBondContact OD2-CA 3.26Å; V994-F1026 HydrophobicContact CG2-CD1 3.97Å; V994-F1026 HydrophobicContact CG2-CD2 3.9Å; V994-F1026 HydrophobicContact CG2-CE1 4.02Å; V994-F1026 HydrophobicContact CG2-CE2 3.96Å; V994-F1026 HydrophobicContact CG2-CG 3.92Å; V994-F1026 HydrophobicContact CG2-CZ 4.04Å; F1026-G1034 WeakPolarHBondContact CD1-O 3.45Å; F1026-G1034 PolarHBondContact N-O 3.42Å; F1026-G1034 PolarHBondContact O-N 2.91Å; F1026-I1036 HydrophobicContact CD1-CD1 3.85Å; F1026-I1036 HydrophobicContact CD1-CG1 3.72Å; F1026-I1036 HydrophobicContact CE1-CD1 3.96Å; F1026-I1036 HydrophobicContact CE1-CG1 3.61Å
1027	T	72.2	Confident	73.6	Confident	50 Å²	50	59.6 Å²	59.6	31%	0.307	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	120.2	-174.5	-46	0	0	0	0	111.2	D992	D992-T1027 PolarHBondContact N-O 3.44Å; D992-T1027 PolarHBondContact OD2-N 2.83Å
1028	A	63.9	Low	73.7	Confident	16 Å²	16	59.4 Å²	59.4	13%	0.132	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	149.3	172.5	0	0	0	0	0	111.5	R931 N1030 G1031 K1032	R931-A1028 HydrophobicContact CB-CB 4.39Å; A1028-N1030 PolarHBondContact O-N 3.19Å; A1028-G1031 PolarHBondContact O-N 3.41Å; A1028-G1031 VanDerWaalsContact O-N 3.11Å; A1028-K1032 WeakPolarHBondContact CA-O 3.41Å; A1028-K1032 WeakPolarHBondContact CB-O 3.41Å; A1028-K1032 PolarHBondContact N-O 3.47Å
1029	G	57.9	Low	73.6	Confident	28 Å²	28	58.3 Å²	58.3	29%	0.289	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	125.5	-178.7	0	0	0	0	0	111.6
1030	N	53.5	Low	73.3	Confident	124 Å²	124	60.2 Å²	60.2	66%	0.663	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.4	17.3	-167.6	-53	9	0	0	0	115.6	A1028 K1032	A1028-N1030 PolarHBondContact O-N 3.19Å; N1030-K1032 VanDerWaalsContact C-N 3.33Å; N1030-K1032 PolarHBondContact O-N 2.88Å
1031	G	59.9	Low	73	Confident	59 Å²	59	58.8 Å²	58.8	61%	0.608	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	11.4	169.9	0	0	0	0	0	115.5	A1028	A1028-G1031 PolarHBondContact O-N 3.41Å; A1028-G1031 VanDerWaalsContact O-N 3.11Å
1032	K	63.6	Low	72.7	Confident	164 Å²	164	56.4 Å²	56.4	71%	0.713	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	126.9	172.3	-71.2	-172.7	175.6	-173.7	0	110	A1028 N1030	A1028-K1032 WeakPolarHBondContact CA-O 3.41Å; A1028-K1032 WeakPolarHBondContact CB-O 3.41Å; A1028-K1032 PolarHBondContact N-O 3.47Å; N1030-K1032 VanDerWaalsContact C-N 3.33Å; N1030-K1032 PolarHBondContact O-N 2.88Å
1033	E	69.9	Low	72.5	Confident	133 Å²	133	61.7 Å²	61.7	62%	0.621	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.1	134.4	173.9	-69.1	-169.5	167.6	0	0	111.1
1034	G	74.9	Confident	72.4	Confident	9 Å²	9	63.5 Å²	63.5	9%	0.093	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	145.7	166.4	0	0	0	0	0	110.1	F1026	F1026-G1034 WeakPolarHBondContact CD1-O 3.45Å; F1026-G1034 PolarHBondContact N-O 3.42Å; F1026-G1034 PolarHBondContact O-N 2.91Å
1035	I	79.1	Confident	72.1	Confident	34 Å²	34	68.5 Å²	68.5	17%	0.174	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	137.4	179.4	-52.5	-174.8	0	0	0	109	K1025 D1037 H1053 L1054	K1025-I1035 HydrophobicContact CG-CD1 4.49Å; K1025-I1035 HydrophobicContact CG-CG1 4.21Å; I1035-D1037 WeakPolarHBondContact CG2-OD1 3.47Å; I1035-H1053 WeakPolarHBondContact O-CB 3.43Å; I1035-L1054 PolarHBondContact O-N 3.01Å; I1035-L1054 VanDerWaalsContact O-N 3.15Å
1036	I	81.5	Confident	72.1	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	114.1	172	-49.5	178.2	0	0	0	107.2	L977 V979 V994 S1023 I1024 F1026 F1038 L1054 V1056	L977-I1036 HydrophobicContact CD2-CD1 3.78Å; L977-I1036 HydrophobicContact CD2-CG2 4.08Å; V979-I1036 HydrophobicContact CG2-CD1 3.86Å; V994-I1036 HydrophobicContact CB-CD1 4.41Å; V994-I1036 HydrophobicContact CG1-CD1 3.6Å; V994-I1036 HydrophobicContact CG2-CD1 3.88Å; S1023-I1036 CarbonylContact C-O 3.52Å; S1023-I1036 WeakPolarHBondContact CA-O 3.49Å; S1023-I1036 VanDerWaalsContact CB-O 3.26Å; S1023-I1036 WeakPolarHBondContact CB-O 3.27Å; I1024-I1036 PolarHBondContact N-O 3.41Å; I1024-I1036 PolarHBondContact O-N 2.86Å; F1026-I1036 HydrophobicContact CD1-CD1 3.85Å; F1026-I1036 HydrophobicContact CD1-CG1 3.72Å; F1026-I1036 HydrophobicContact CE1-CD1 3.96Å; F1026-I1036 HydrophobicContact CE1-CG1 3.61Å; I1036-F1038 HydrophobicContact CB-CE2 4Å; I1036-F1038 HydrophobicContact CB-CZ 4.28Å; I1036-F1038 HydrophobicContact CG2-CD2 4.35Å; I1036-F1038 HydrophobicContact CG2-CE1 4.18Å; I1036-F1038 HydrophobicContact CG2-CE2 3.65Å; I1036-F1038 HydrophobicContact CG2-CZ 3.56Å; I1036-L1054 CarbonylContact C-O 3.44Å; I1036-L1054 VanDerWaalsContact CA-O 3.28Å; I1036-L1054 WeakPolarHBondContact CA-O 3.18Å; I1036-L1054 HydrophobicContact CD1-CD2 4.42Å; I1036-L1054 HydrophobicContact CG1-CB 4.32Å; I1036-L1054 HydrophobicContact CG1-CD2 4.38Å; I1036-L1054 HydrophobicContact CG2-CB 4.33Å; I1036-L1054 HydrophobicContact CG2-CD2 4.32Å; I1036-L1054 HydrophobicContact CG2-CG 4.49Å; I1036-V1056 HydrophobicContact CG2-CG2 3.79Å
1037	D	80.6	Confident	72.1	Confident	44 Å²	44	69 Å²	69	24%	0.235	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	127.8	179.4	-66.1	-42.1	0	0	0	109.1	S1023 I1035 H1053 L1054 S1055 V1056	S1023-D1037 WeakPolarHBondContact CB-OD1 3.31Å; I1035-D1037 WeakPolarHBondContact CG2-OD1 3.47Å; D1037-H1053 IonicContact OD2-CE1 3.89Å; D1037-H1053 IonicContact OD2-CG 2.72Å; D1037-H1053 IonicContact OD2-ND1 3.27Å; D1037-H1053 PolarHBondContact OD2-ND1 3.4Å; D1037-L1054 PolarHBondContact N-O 3.04Å; D1037-S1055 CarbonylContact O-C 3.6Å; D1037-S1055 WeakPolarHBondContact O-CA 3.37Å; D1037-V1056 PolarHBondContact O-N 3.47Å
1038	F	81.7	Confident	72.2	Confident	13 Å²	13	72.4 Å²	72.4	6%	0.057	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	118.4	-178.6	-63.6	-89.9	0	0	0	110.1	L973 L977 G1022 I1024 I1036 V1056	L973-F1038 HydrophobicContact CD1-CB 4.13Å; L977-F1038 HydrophobicContact CB-CE1 4.31Å; L977-F1038 HydrophobicContact CD2-CE1 4.11Å; L977-F1038 HydrophobicContact CD2-CZ 3.81Å; G1022-F1038 WeakPolarHBondContact O-CA 3.32Å; G1022-F1038 WeakPolarHBondContact O-CB 3.42Å; G1022-F1038 PolarHBondContact O-N 2.9Å; I1024-F1038 HydrophobicContact CB-CE2 3.98Å; I1024-F1038 HydrophobicContact CD1-CE2 3.49Å; I1024-F1038 VanDerWaalsContact CD1-CE2 3.49Å; I1024-F1038 HydrophobicContact CD1-CZ 3.74Å; I1024-F1038 HydrophobicContact CG1-CD2 4.4Å; I1024-F1038 HydrophobicContact CG1-CE2 3.59Å; I1024-F1038 HydrophobicContact CG1-CZ 4.34Å; I1036-F1038 HydrophobicContact CB-CE2 4Å; I1036-F1038 HydrophobicContact CB-CZ 4.28Å; I1036-F1038 HydrophobicContact CG2-CD2 4.35Å; I1036-F1038 HydrophobicContact CG2-CE1 4.18Å; I1036-F1038 HydrophobicContact CG2-CE2 3.65Å; I1036-F1038 HydrophobicContact CG2-CZ 3.56Å; F1038-V1056 WeakPolarHBondContact CA-O 3.27Å; F1038-V1056 HydrophobicContact CD1-CB 3.71Å; F1038-V1056 HydrophobicContact CD1-CG1 3.88Å; F1038-V1056 HydrophobicContact CD1-CG2 4.37Å; F1038-V1056 HydrophobicContact CE1-CB 3.92Å; F1038-V1056 HydrophobicContact CE1-CG1 4.01Å; F1038-V1056 HydrophobicContact CE1-CG2 4.1Å
1039	T	78.3	Confident	72.6	Confident	62 Å²	62	72.8 Å²	72.8	38%	0.38	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	139.8	178.8	46.9	0	0	0	0	111.2	V1056 T1057 A1058	T1039-V1056 PolarHBondContact N-O 3.29Å; T1039-T1057 CarbonylContact O-C 3.45Å; T1039-T1057 WeakPolarHBondContact O-CA 3.34Å; T1039-T1057 PolarHBondContact OG1-OG1 3Å; T1039-A1058 PolarHBondContact O-N 2.89Å
1040	P	75.6	Confident	73	Confident	84 Å²	84	82.1 Å²	82.1	55%	0.545	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	133.6	173.6	27.9	-31.1	0	0	0	111	A1058 R1060	P1040-A1058 WeakPolarHBondContact CA-O 3.31Å; P1040-R1060 HydrophobicContact CB-CG 4.44Å
1041	G	71.7	Confident	73.7	Confident	29 Å²	29	81 Å²	81	30%	0.299	44%	0.435	S	S	.	.			trans	-160.8	178.8	174.5	0	0	0	0	0	113.1	T1057 A1058 P1059	G1041-T1057 VanDerWaalsContact CA-CG2 3.41Å; G1041-A1058 PolarHBondContact N-O 2.91Å; G1041-A1058 VanDerWaalsContact N-O 3.1Å; G1041-A1058 CarbonylContact O-C 3.6Å; G1041-P1059 WeakPolarHBondContact O-CA 3.4Å
1042	S	68.8	Low	74	Confident	117 Å²	117	79.7 Å²	79.7	82%	0.818	42%	0.422	S	S	*	.	S	Bend	trans	-72.7	-33.4	-168.8	50.1	0	0	0	0	114.8
1043	E	70.6	Confident	74.7	Confident	154 Å²	154	74.5 Å²	74.5	72%	0.72	40%	0.4	S	S	*	.	S	Bend	trans	-129.1	154.3	-179.1	-68	-172.7	169.4	0	0	111.4	H1045	E1043-H1045 PolarHBondContact O-N 2.89Å
1044	L	76.5	Confident	75.2	Confident	82 Å²	82	68.2 Å²	68.2	43%	0.429	37%	0.37	S	S	.	.			trans	-74.6	110	177.2	-171.2	80.1	0	0	0	109.9	D975 T1057 A1058	D975-L1044 HydrophobicContact CB-CD1 3.65Å; L1044-T1057 CarbonylContact C-O 3.54Å; L1044-T1057 VanDerWaalsContact CA-O 3.25Å; L1044-T1057 WeakPolarHBondContact CA-O 3.24Å; L1044-A1058 HydrophobicContact CD1-CB 3.75Å
1045	H	77	Confident	75.4	Confident	106 Å²	106	68.9 Å²	68.9	49%	0.491	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	131.4	179.4	-165.4	-89.1	0	0	0	111.2	E1043 E1047 T1057	E1043-H1045 PolarHBondContact O-N 2.89Å; H1045-E1047 IonicContact CE1-OE2 3.49Å; H1045-E1047 PolarHBondContact CE1-OE2 3.21Å; H1045-E1047 IonicContact ND1-OE2 3.19Å; H1045-T1057 PolarHBondContact N-O 2.96Å; H1045-T1057 PolarHBondContact O-N 3.33Å
1046	V	78.3	Confident	75.5	Confident	36 Å²	36	67.3 Å²	67.3	22%	0.218	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	113.6	-179	-176.1	0	0	0	0	109.4	Y929 L1054 V1056	Y929-V1046 HydrophobicContact CD1-CG1 4.47Å; Y929-V1046 HydrophobicContact CE1-CB 4.44Å; Y929-V1046 HydrophobicContact CE1-CG1 3.71Å; V1046-L1054 HydrophobicContact CG1-CD1 3.78Å; V1046-L1054 HydrophobicContact CG1-CD2 4.22Å; V1046-L1054 HydrophobicContact CG1-CG 4.05Å; V1046-V1056 HydrophobicContact CG1-CG2 4.14Å; V1046-V1056 HydrophobicContact CG2-CG1 4.23Å; V1046-V1056 HydrophobicContact CG2-CG2 4.19Å
1047	E	77.8	Confident	75.3	Confident	105 Å²	105	69 Å²	69	49%	0.491	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	159.1	-179	63.5	173.1	-164.7	0	0	113.3	H1045 A1049 S1055	H1045-E1047 IonicContact CE1-OE2 3.49Å; H1045-E1047 PolarHBondContact CE1-OE2 3.21Å; H1045-E1047 IonicContact ND1-OE2 3.19Å; E1047-A1049 PolarHBondContact O-N 3.19Å; E1047-S1055 PolarHBondContact N-O 2.88Å; E1047-S1055 PolarHBondContact O-N 3.26Å
1048	K	75.9	Confident	75.2	Confident	121 Å²	121	67 Å²	67	53%	0.526	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	111.7	172.7	-172.4	-177	178.5	-168.9	0	108.9	Y934	Y934-K1048 HydrophobicContact CD2-CD 4.24Å; Y934-K1048 HydrophobicContact CD2-CG 4.1Å
1049	A	71.9	Confident	74.9	Confident	24 Å²	24	68.1 Å²	68.1	20%	0.198	37%	0.374	C	S	.	.			trans	-69.1	157.2	178.7	0	0	0	0	0	111.8	E1047 N1051 G1052 H1053	E1047-A1049 PolarHBondContact O-N 3.19Å; A1049-N1051 WeakPolarHBondContact CB-OD1 3.41Å; A1049-N1051 PolarHBondContact O-N 3.4Å; A1049-N1051 VanDerWaalsContact O-N 3.13Å; A1049-G1052 PolarHBondContact O-N 3.19Å; A1049-H1053 PolarHBondContact N-O 3.22Å
1050	K	66.1	Low	74.4	Confident	224 Å²	224	72 Å²	72	97%	0.974	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-25.1	-177.6	-67.1	-177.3	180	178.1	0	113.5	G1052	K1050-G1052 PolarHBondContact O-N 3.36Å
1051	N	67.5	Low	73.9	Confident	101 Å²	101	71.6 Å²	71.6	54%	0.54	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-3.4	174.7	63	-0.7	0	0	0	113.7	A1049 H1053	A1049-N1051 WeakPolarHBondContact CB-OD1 3.41Å; A1049-N1051 PolarHBondContact O-N 3.4Å; A1049-N1051 VanDerWaalsContact O-N 3.13Å; N1051-H1053 WeakPolarHBondContact OD1-CB 3.37Å; N1051-H1053 PolarHBondContact OD1-N 3.08Å
1052	G	66.9	Low	73.2	Confident	32 Å²	32	74.5 Å²	74.5	33%	0.33	38%	0.383	S	S	.	.	S	Bend	trans	89.9	-4.2	-179.3	0	0	0	0	0	115.1	Y934 A1049 K1050	Y934-G1052 WeakPolarHBondContact CE2-O 3.49Å; A1049-G1052 PolarHBondContact O-N 3.19Å; K1050-G1052 PolarHBondContact O-N 3.36Å
1053	H	79.1	Confident	72.1	Confident	54 Å²	54	73.2 Å²	73.2	25%	0.25	37%	0.374	C	S	.	.	S	Bend	trans	-81.9	165.9	176.2	-62.3	-177.7	0	0	0	112.2	I1035 D1037 A1049 N1051	I1035-H1053 WeakPolarHBondContact O-CB 3.43Å; D1037-H1053 IonicContact OD2-CE1 3.89Å; D1037-H1053 IonicContact OD2-CG 2.72Å; D1037-H1053 IonicContact OD2-ND1 3.27Å; D1037-H1053 PolarHBondContact OD2-ND1 3.4Å; A1049-H1053 PolarHBondContact N-O 3.22Å; N1051-H1053 WeakPolarHBondContact OD1-CB 3.37Å; N1051-H1053 PolarHBondContact OD1-N 3.08Å
1054	L	78.7	Confident	70.5	Confident	2 Å²	2	81 Å²	81	1%	0.01	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	114.7	170.5	-170.1	66.3	0	0	0	109.3	Y929 Y934 I1035 I1036 D1037 V1046	Y929-L1054 HydrophobicContact CG-CD2 4.46Å; Y934-L1054 HydrophobicContact CD1-CB 3.87Å; Y934-L1054 HydrophobicContact CD1-CD1 3.9Å; Y934-L1054 HydrophobicContact CD1-CD2 3.87Å; Y934-L1054 HydrophobicContact CD1-CG 4.1Å; Y934-L1054 HydrophobicContact CD2-CB 4.49Å; Y934-L1054 HydrophobicContact CD2-CD1 4.46Å; Y934-L1054 HydrophobicContact CE1-CB 3.75Å; Y934-L1054 HydrophobicContact CE1-CD2 4.22Å; Y934-L1054 HydrophobicContact CE1-CG 4.42Å; Y934-L1054 HydrophobicContact CE2-CB 4.44Å; Y934-L1054 HydrophobicContact CG-CB 4.23Å; Y934-L1054 HydrophobicContact CG-CD1 3.78Å; Y934-L1054 HydrophobicContact CG-CG 4.43Å; I1035-L1054 PolarHBondContact O-N 3.01Å; I1035-L1054 VanDerWaalsContact O-N 3.15Å; I1036-L1054 CarbonylContact C-O 3.44Å; I1036-L1054 VanDerWaalsContact CA-O 3.28Å; I1036-L1054 WeakPolarHBondContact CA-O 3.18Å; I1036-L1054 HydrophobicContact CD1-CD2 4.42Å; I1036-L1054 HydrophobicContact CG1-CB 4.32Å; I1036-L1054 HydrophobicContact CG1-CD2 4.38Å; I1036-L1054 HydrophobicContact CG2-CB 4.33Å; I1036-L1054 HydrophobicContact CG2-CD2 4.32Å; I1036-L1054 HydrophobicContact CG2-CG 4.49Å; D1037-L1054 PolarHBondContact N-O 3.04Å; V1046-L1054 HydrophobicContact CG1-CD1 3.78Å; V1046-L1054 HydrophobicContact CG1-CD2 4.22Å; V1046-L1054 HydrophobicContact CG1-CG 4.05Å
1055	S	79.5	Confident	70.2	Confident	22 Å²	22	81 Å²	81	15%	0.154	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	125.8	177.7	-167.9	0	0	0	0	109.9	D1037 E1047	D1037-S1055 CarbonylContact O-C 3.6Å; D1037-S1055 WeakPolarHBondContact O-CA 3.37Å; E1047-S1055 PolarHBondContact N-O 2.88Å; E1047-S1055 PolarHBondContact O-N 3.26Å
1056	V	80.7	Confident	69.8	Low	1 Å²	1	79.7 Å²	79.7	1%	0.006	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	111.7	177.9	179.9	0	0	0	0	108.7	D975 L977 I1036 D1037 F1038 T1039 V1046	D975-V1056 HydrophobicContact CB-CG1 4.23Å; L977-V1056 HydrophobicContact CD1-CG2 4.29Å; I1036-V1056 HydrophobicContact CG2-CG2 3.79Å; D1037-V1056 PolarHBondContact O-N 3.47Å; F1038-V1056 WeakPolarHBondContact CA-O 3.27Å; F1038-V1056 HydrophobicContact CD1-CB 3.71Å; F1038-V1056 HydrophobicContact CD1-CG1 3.88Å; F1038-V1056 HydrophobicContact CD1-CG2 4.37Å; F1038-V1056 HydrophobicContact CE1-CB 3.92Å; F1038-V1056 HydrophobicContact CE1-CG1 4.01Å; F1038-V1056 HydrophobicContact CE1-CG2 4.1Å; T1039-V1056 PolarHBondContact N-O 3.29Å; V1046-V1056 HydrophobicContact CG1-CG2 4.14Å; V1046-V1056 HydrophobicContact CG2-CG1 4.23Å; V1046-V1056 HydrophobicContact CG2-CG2 4.19Å
1057	T	79.1	Confident	69.4	Low	37 Å²	37	82.1 Å²	82.1	23%	0.227	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	128.2	173	-56.1	0	0	0	0	109.3	T1039 G1041 L1044 H1045	T1039-T1057 CarbonylContact O-C 3.45Å; T1039-T1057 WeakPolarHBondContact O-CA 3.34Å; T1039-T1057 PolarHBondContact OG1-OG1 3Å; G1041-T1057 VanDerWaalsContact CA-CG2 3.41Å; L1044-T1057 CarbonylContact C-O 3.54Å; L1044-T1057 VanDerWaalsContact CA-O 3.25Å; L1044-T1057 WeakPolarHBondContact CA-O 3.24Å; H1045-T1057 PolarHBondContact N-O 2.96Å; H1045-T1057 PolarHBondContact O-N 3.33Å
1058	A	78.6	Confident	68.9	Low	0 Å²	0	80.8 Å²	80.8	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	145.4	-178.1	0	0	0	0	0	113	L973 D975 T1039 P1040 G1041 L1044	L973-A1058 HydrophobicContact CB-CB 4.12Å; L973-A1058 HydrophobicContact CD1-CB 4.31Å; D975-A1058 HydrophobicContact CB-CB 3.84Å; T1039-A1058 PolarHBondContact O-N 2.89Å; P1040-A1058 WeakPolarHBondContact CA-O 3.31Å; G1041-A1058 PolarHBondContact N-O 2.91Å; G1041-A1058 VanDerWaalsContact N-O 3.1Å; G1041-A1058 CarbonylContact O-C 3.6Å; L1044-A1058 HydrophobicContact CD1-CB 3.75Å
1059	P	73.4	Confident	68.4	Low	37 Å²	37	78.3 Å²	78.3	24%	0.24	39%	0.386	C	S	.	.			trans	-71.2	147	179.3	24.5	-28.8	0	0	0	112.7	S974 G1041	S974-P1059 VanDerWaalsContact CB-O 3.24Å; S974-P1059 WeakPolarHBondContact CB-O 3.34Å; S974-P1059 WeakPolarHBondContact OG-CG 3.22Å; S974-P1059 PolarHBondContact OG-O 3.44Å; G1041-P1059 WeakPolarHBondContact O-CA 3.4Å
1060	R	69.9	Low	68.2	Low	145 Å²	145	81.9 Å²	81.9	55%	0.547	40%	0.399	S	S	.	.			trans	-87.3	116.4	165.7	-78.7	-167.6	172.8	179.3	-1.8	108.7	L973 P1040 N1062	L973-R1060 HydrophobicContact CD2-CG 3.83Å; P1040-R1060 HydrophobicContact CB-CG 4.44Å; R1060-N1062 VanDerWaalsContact C-N 3.34Å
1061	L	63.2	Low	68.4	Low	74 Å²	74	71.7 Å²	71.7	39%	0.387	36%	0.358	S	S	.	.	S	Bend	trans	-84.4	-12.6	179.4	-70.6	166.8	0	0	0	112.7	N888 S974	N888-L1061 HydrophobicContact CB-CD1 4.07Å; S974-L1061 VanDerWaalsContact CB-CD1 3.42Å
1062	N	57.5	Low	68.4	Low	91 Å²	91	69.5 Å²	69.5	49%	0.487	34%	0.343	S	S	.	.			trans	-115.9	46.4	179.8	-70.8	-22.2	0	0	0	112.5	R1060	R1060-N1062 VanDerWaalsContact C-N 3.34Å
1063	S	45.6	Very low	68.6	Low	89 Å²	89	72.6 Å²	72.6	62%	0.622	35%	0.345	S	S	*	.			trans	-109.2	75.5	162.9	65	0	0	0	0	110.7
1064	R	37.4	Very low	67.6	Low	319 Å²	319	74.3 Å²	74.3	100%	1.204	35%	0.353	S	S	*	.			trans	-141.5	0	144	-94	-167.1	178.8	-177.6	0	108.8

Retrieved 1,064 of 1,064 residues in 1675.6 ms (Link to these results)

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