A0A5K4F5M4_SCHMA Loading...

Probable ATP-dependent RNA helicase DDX46 AlphaSync

Component of the 17S U2 SnRNP complex of the spliceosome, a large ribonucleoprotein complex that removes introns from transcribed pre-mRNAs. The 17S U2 SnRNP complex (1) directly participates in early spliceosome assembly and (2) mediates recognition of the intron branch site during pre-mRNA splicing by promoting the selection of the pre-mRNA branch-site adenosine, the nucleophile for the first step of splicing. Within the 17S U2 SnRNP complex, DDX46 plays essential roles during assembly of pre-spliceosome and proofreading of the branch site.

AlphaFold DB , UniProt , Accession A0A5K4F5M4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 993 aa.

						>A0A5K4F5M4_SCHMA|A0A5K4F5M4
MGSLLAAQAKAAEEAAAKAKAETSKPAVGTMTAIANAAADMIKAARNSGQGIAGMEGALVITPNMDKDIEQRRLDLEMQKRRERVERWRRERRLKQDILAAQQRLAESTRGTTINKWNLEDDEDEEDANKKNIQMEKPTEDDDVDPLDAYMQELNNQVSAGPETTKKDTKITKQSEMSLKTSKDTDHASSDPSVKPKQQLVIKRKRIIGRGELMESNIDELEYSSEEEDTTIEDALAQLQKKDKLQPIDHSKIEYFPFRKNFYVEVPELAKMSKEDVKAYRASLENIRVRGRECPKPLRNWVQAGISSRLLACLKRNNFDKPTPIQCQALPVIMSGRDMIGIAKTGSGKTLAFLVPLMRHLEHQAPLNPGDGPIALLLAPTRELALQIFKETKKLCQAADARAVCVYGGTGISEQIAELKRGAEIIVCTPGRMIDMLAANGGRVTNLHRCSYVVLDEADRMFDLGFEPQVMRIIENCRPDRQTLMFSATFPRQMEILARKVLTLPIEIQIGGRSVVCSDVEQHAFILSEEEKVYKVLELLGIYQEEGSVLVFVEKQESADELMRVLLKYGYPCLSLHGGIDQYDRDSVIMDFKRGNIRLLIATSVAARGLDVTDLLLVINYDCPNHYEDYVHRCGRTGRAGRKGFAYTFLTPDQERSAGDVVRAFKQSGQKPPEELMNMWNAYKIRMEHEGKKVYGSSGFRGKGFMFDEVEAQLNSEKRRLQKAALGLQDSDDEDGDGSVDWDSKIEDMLATKTKIKDVSKGNAAESVSETAEVSAQAGQAVVNAALALARQKAAQLGLVKNLTSGTPTVPQPSAVVNTTTVSDSNTGIAAAVAAVTIPVPPAPTSRTLAEQAAERLNAKLGYTKQTPGAGDEDGAGANTSSGSDMVRRYEEELVINDFPQNVRWRITGREMLNHLSDYCDVGVSVRGVYMPPAKAKQHIPEGTDDRPLYLCIEAVNERQVALAKKEIMRIIKEELVKLQSGNSINRGRYKVV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	51.8	Low	70.9	Confident	189 Å²	189	95.9 Å²	95.9	93%	0.931	59%	0.588	S	S	*	*				0	-90.6	0	-68.4	-50.6	-133	0	0	111.3	S3 L4 L5	M1-S3 PolarHBondContact O-N 2.67Å; M1-L4 WeakPolarHBondContact O-CA 3.5Å; M1-L4 WeakPolarHBondContact O-CB 3.27Å; M1-L4 PolarHBondContact O-N 2.76Å; M1-L5 PolarHBondContact O-N 3.41Å; M1-L5 VanDerWaalsContact O-N 3.1Å
2	G	77.1	Confident	70.8	Confident	54 Å²	54	93.1 Å²	93.1	56%	0.557	58%	0.582	S	S	*	*	H	α-helix	trans	-49.9	-50.6	-169.1	0	0	0	0	0	116.1	L4 L5 A6	G2-L4 PolarHBondContact O-N 3.19Å; G2-L5 PolarHBondContact O-N 2.95Å; G2-A6 WeakPolarHBondContact O-CB 3.24Å; G2-A6 PolarHBondContact O-N 3.43Å
3	S	62.6	Low	70.9	Confident	101 Å²	101	96.6 Å²	96.6	71%	0.706	59%	0.587	S	S	*	*	H	α-helix	trans	-63.2	-26.7	177.5	52.9	0	0	0	0	114.5	M1 A7	M1-S3 PolarHBondContact O-N 2.67Å; S3-A7 WeakPolarHBondContact O-CB 3.39Å; S3-A7 PolarHBondContact O-N 3.25Å
4	L	65.8	Low	71	Confident	108 Å²	108	98.1 Å²	98.1	57%	0.565	58%	0.584	S	S	*	*	H	α-helix	trans	-82.1	-37.6	-178.5	-154.6	155.7	0	0	0	110.7	M1 G2 A7 Q8	M1-L4 WeakPolarHBondContact O-CA 3.5Å; M1-L4 WeakPolarHBondContact O-CB 3.27Å; M1-L4 PolarHBondContact O-N 2.76Å; G2-L4 PolarHBondContact O-N 3.19Å; L4-A7 PolarHBondContact O-N 3.1Å; L4-Q8 WeakPolarHBondContact O-CG 3.24Å; L4-Q8 PolarHBondContact O-N 2.82Å
5	L	73.7	Confident	70.7	Confident	111 Å²	111	95.6 Å²	95.6	58%	0.581	58%	0.578	S	S	*	*	H	α-helix	trans	-63.8	-42.9	167.5	-75.2	164.5	0	0	0	111.5	M1 G2 A7 Q8 A9	M1-L5 PolarHBondContact O-N 3.41Å; M1-L5 VanDerWaalsContact O-N 3.1Å; G2-L5 PolarHBondContact O-N 2.95Å; L5-A7 VanDerWaalsContact C-N 3.35Å; L5-A7 PolarHBondContact O-N 3.45Å; L5-Q8 PolarHBondContact O-N 3.45Å; L5-A9 WeakPolarHBondContact O-CB 3.04Å; L5-A9 PolarHBondContact O-N 2.87Å
6	A	76.1	Confident	70.2	Confident	60 Å²	60	93 Å²	93	50%	0.496	57%	0.57	S	S	.	*	H	α-helix	trans	-62.5	-39.7	175.6	0	0	0	0	0	112.4	G2 A9 K10	G2-A6 WeakPolarHBondContact O-CB 3.24Å; G2-A6 PolarHBondContact O-N 3.43Å; A6-A9 PolarHBondContact O-N 3.34Å; A6-K10 WeakPolarHBondContact O-CB 3.43Å; A6-K10 PolarHBondContact O-N 3.1Å
7	A	76.2	Confident	69.8	Low	61 Å²	61	91.1 Å²	91.1	50%	0.504	57%	0.566	S	S	.	*	H	α-helix	trans	-64.9	-41.2	174.2	0	0	0	0	0	112.5	S3 L4 L5 A11	S3-A7 WeakPolarHBondContact O-CB 3.39Å; S3-A7 PolarHBondContact O-N 3.25Å; L4-A7 PolarHBondContact O-N 3.1Å; L5-A7 VanDerWaalsContact C-N 3.35Å; L5-A7 PolarHBondContact O-N 3.45Å; A7-A11 WeakPolarHBondContact O-CB 3.48Å; A7-A11 PolarHBondContact O-N 2.9Å
8	Q	70.3	Confident	69.3	Low	122 Å²	122	94 Å²	94	57%	0.57	57%	0.569	S	S	*	*	H	α-helix	trans	-66.7	-41.6	175.5	-76.4	-177.7	-34.2	0	0	112.5	L4 L5 A11 A12	L4-Q8 WeakPolarHBondContact O-CG 3.24Å; L4-Q8 PolarHBondContact O-N 2.82Å; L5-Q8 PolarHBondContact O-N 3.45Å; Q8-A11 PolarHBondContact O-N 2.83Å; Q8-A12 WeakPolarHBondContact O-CB 3.36Å; Q8-A12 PolarHBondContact O-N 2.9Å
9	A	74.7	Confident	68.3	Low	64 Å²	64	92.6 Å²	92.6	53%	0.529	57%	0.568	S	S	.	*	H	α-helix	trans	-60.7	-47.8	175.4	0	0	0	0	0	111.4	L5 A6 A11 A12 E13	L5-A9 WeakPolarHBondContact O-CB 3.04Å; L5-A9 PolarHBondContact O-N 2.87Å; A6-A9 PolarHBondContact O-N 3.34Å; A9-A11 PolarHBondContact O-N 2.88Å; A9-A12 PolarHBondContact O-N 2.86Å; A9-E13 PolarHBondContact O-N 2.86Å
10	K	77.2	Confident	67.3	Low	128 Å²	128	96.6 Å²	96.6	56%	0.557	58%	0.577	S	S	*	*	H	α-helix	trans	-65.3	-37.4	178.8	-166.3	176.8	-179.6	-175	0	112.8	A6 E13 E14	A6-K10 WeakPolarHBondContact O-CB 3.43Å; A6-K10 PolarHBondContact O-N 3.1Å; K10-E13 PolarHBondContact O-N 3.16Å; K10-E14 PolarHBondContact O-N 3.32Å
11	A	74.1	Confident	66.3	Low	57 Å²	57	94.8 Å²	94.8	47%	0.471	57%	0.573	S	S	.	*	H	α-helix	trans	-66.5	-35.4	174.5	0	0	0	0	0	112.7	A7 Q8 A9 A15	A7-A11 WeakPolarHBondContact O-CB 3.48Å; A7-A11 PolarHBondContact O-N 2.9Å; Q8-A11 PolarHBondContact O-N 2.83Å; A9-A11 PolarHBondContact O-N 2.88Å; A11-A15 WeakPolarHBondContact O-CB 3.25Å; A11-A15 PolarHBondContact O-N 2.98Å
12	A	70.2	Confident	66	Low	62 Å²	62	93.6 Å²	93.6	51%	0.512	57%	0.566	S	S	.	*	H	α-helix	trans	-68.6	-37.8	173	0	0	0	0	0	112	Q8 A9 A15 A16	Q8-A12 WeakPolarHBondContact O-CB 3.36Å; Q8-A12 PolarHBondContact O-N 2.9Å; A9-A12 PolarHBondContact O-N 2.86Å; A12-A15 PolarHBondContact O-N 3.32Å; A12-A16 WeakPolarHBondContact O-CB 3.26Å; A12-A16 PolarHBondContact O-N 3.46Å
13	E	71.7	Confident	64.2	Low	139 Å²	139	96.8 Å²	96.8	65%	0.65	57%	0.574	S	S	*	*	H	α-helix	trans	-66.7	-44.7	175.6	-169.6	170.8	-148.1	0	0	112	A9 K10 A15 A16 A17	A9-E13 PolarHBondContact O-N 2.86Å; K10-E13 PolarHBondContact O-N 3.16Å; E13-A15 VanDerWaalsContact C-N 3.34Å; E13-A15 PolarHBondContact O-N 3.33Å; E13-A16 PolarHBondContact O-N 2.97Å; E13-A17 WeakPolarHBondContact O-CB 3.35Å; E13-A17 PolarHBondContact O-N 3.42Å
14	E	71.9	Confident	62.7	Low	118 Å²	118	96.5 Å²	96.5	55%	0.551	57%	0.572	S	S	*	*	H	α-helix	trans	-63.5	-36.6	173.5	-75.4	-179.8	174.9	0	0	112.5	K10 A17 K18	K10-E14 PolarHBondContact O-N 3.32Å; E14-A17 PolarHBondContact O-N 3.45Å; E14-K18 PolarHBondContact O-N 3.42Å
15	A	66.4	Low	61.5	Low	60 Å²	60	101.3 Å²	101.3	50%	0.496	59%	0.589	S	S	.	*	H	α-helix	trans	-66.9	-43.2	174	0	0	0	0	0	112.3	A11 A12 E13 A17 K18 A19	A11-A15 WeakPolarHBondContact O-CB 3.25Å; A11-A15 PolarHBondContact O-N 2.98Å; A12-A15 PolarHBondContact O-N 3.32Å; E13-A15 VanDerWaalsContact C-N 3.34Å; E13-A15 PolarHBondContact O-N 3.33Å; A15-A17 VanDerWaalsContact C-N 3.34Å; A15-K18 PolarHBondContact O-N 3.39Å; A15-A19 PolarHBondContact O-N 2.89Å
16	A	63.3	Low	59.6	Low	54 Å²	54	102.3 Å²	102.3	45%	0.446	60%	0.602	S	S	.	*	H	α-helix	trans	-66	-35.7	175.5	0	0	0	0	0	112.3	A12 E13 K20	A12-A16 WeakPolarHBondContact O-CB 3.26Å; A12-A16 PolarHBondContact O-N 3.46Å; E13-A16 PolarHBondContact O-N 2.97Å; A16-K20 PolarHBondContact O-N 2.72Å
17	A	62.6	Low	57.7	Low	60 Å²	60	104 Å²	104	50%	0.496	62%	0.615	S	S	.	*	H	α-helix	trans	-65	-44.9	173.7	0	0	0	0	0	111.8	E13 E14 A15 K20 A21	E13-A17 WeakPolarHBondContact O-CB 3.35Å; E13-A17 PolarHBondContact O-N 3.42Å; E14-A17 PolarHBondContact O-N 3.45Å; A15-A17 VanDerWaalsContact C-N 3.34Å; A17-K20 PolarHBondContact O-N 3.49Å; A17-A21 PolarHBondContact O-N 3.12Å
18	K	61.2	Low	55.8	Low	144 Å²	144	108.3 Å²	108.3	63%	0.626	64%	0.635	S	S	*	*	H	α-helix	trans	-61.4	-45.6	174.2	-90.9	-172.9	169.4	-176.3	0	112.9	E14 A15 K20 A21 E22	E14-K18 PolarHBondContact O-N 3.42Å; A15-K18 PolarHBondContact O-N 3.39Å; K18-K20 PolarHBondContact O-N 3.45Å; K18-A21 PolarHBondContact O-N 3.22Å; K18-E22 PolarHBondContact O-N 2.93Å; K18-E22 VanDerWaalsContact O-N 3.15Å
19	A	50.6	Low	54	Low	67 Å²	67	105 Å²	105	55%	0.554	63%	0.634	S	S	*	*	H	α-helix	trans	-59.7	-31.2	177.6	0	0	0	0	0	113.1	A15	A15-A19 PolarHBondContact O-N 2.89Å
20	K	49.3	Very low	52.1	Low	172 Å²	172	109 Å²	109	75%	0.748	65%	0.652	S	S	*	*	H	α-helix	trans	-82.5	-18.3	173	-75.1	-177.8	174.2	179.4	0	114.4	A16 A17 K18	A16-K20 PolarHBondContact O-N 2.72Å; A17-K20 PolarHBondContact O-N 3.49Å; K18-K20 PolarHBondContact O-N 3.45Å
21	A	45.6	Very low	50.2	Low	60 Å²	60	110.8 Å²	110.8	50%	0.496	66%	0.664	S	S	.	*	H	α-helix	trans	-84	-35.1	178.9	0	0	0	0	0	112.9	A17 K18 T23 S24	A17-A21 PolarHBondContact O-N 3.12Å; K18-A21 PolarHBondContact O-N 3.22Å; A21-T23 PolarHBondContact O-N 3.27Å; A21-S24 PolarHBondContact O-OG 3.34Å
22	E	44.3	Very low	48.6	Very low	164 Å²	164	113.8 Å²	113.8	77%	0.766	68%	0.677	S	S	*	*	S	Bend	trans	-78.1	1.8	-175	-67.9	179.9	168.9	0	0	114.2	K18	K18-E22 PolarHBondContact O-N 2.93Å; K18-E22 VanDerWaalsContact O-N 3.15Å
23	T	40.6	Very low	47.2	Very low	120 Å²	120	114.9 Å²	114.9	74%	0.736	69%	0.686	S	S	*	*	S	Bend	trans	-106.8	39.9	178.2	39.8	0	0	0	0	113.3	A21	A21-T23 PolarHBondContact O-N 3.27Å
24	S	31.4	Very low	45.8	Very low	96 Å²	96	114.9 Å²	114.9	67%	0.671	69%	0.689	S	S	*	*			trans	-137.6	94.8	177.1	61.5	0	0	0	0	114.9	A21	A21-S24 PolarHBondContact O-OG 3.34Å
25	K	39.8	Very low	44.3	Very low	209 Å²	209	112.4 Å²	112.4	91%	0.909	69%	0.689	S	S	*	*			trans	-155.4	122.1	155.1	-113.5	174.2	-174.8	-179.1	0	110
26	P	33	Very low	43.4	Very low	132 Å²	132	114.8 Å²	114.8	86%	0.857	69%	0.693	S	S	*	*			trans	-91.3	146.9	-172.8	35	-34.5	0	0	0	112.9
27	A	36.7	Very low	42.5	Very low	94 Å²	94	114.9 Å²	114.9	78%	0.777	69%	0.694	S	S	*	*			trans	-147.9	133.4	161.9	0	0	0	0	0	110.2
28	V	37.7	Very low	41.5	Very low	152 Å²	152	114.6 Å²	114.6	92%	0.921	69%	0.692	S	S	*	*			trans	9.2	131.3	153.2	-164.8	0	0	0	0	117.1
29	G	31.8	Very low	40.7	Very low	53 Å²	53	110.6 Å²	110.6	55%	0.546	69%	0.685	S	S	.	*			cis	154.2	171.8	10	0	0	0	0	0	110
30	T	34.6	Very low	40.7	Very low	147 Å²	147	112.5 Å²	112.5	90%	0.902	69%	0.686	S	S	*	*			trans	49	64.2	167.5	54.4	0	0	0	0	118.5
31	M	38.1	Very low	40.6	Very low	166 Å²	166	111.2 Å²	111.2	82%	0.818	69%	0.685	S	S	*	*			trans	-141.9	-26.5	154.9	-78.1	-158	-179.2	0	0	115.4	A33	M31-A33 VanDerWaalsContact C-N 3.26Å; M31-A33 PolarHBondContact O-N 2.9Å; M31-A33 VanDerWaalsContact O-N 3.08Å
32	T	40.8	Very low	40.9	Very low	120 Å²	120	114.6 Å²	114.6	74%	0.736	69%	0.693	S	S	*	*	H	α-helix	trans	-69.3	-11.3	-166.2	-24.1	0	0	0	0	116
33	A	38.8	Very low	41.2	Very low	86 Å²	86	114.2 Å²	114.2	71%	0.711	69%	0.689	S	S	*	*	H	α-helix	trans	-77.2	-28.3	-176.2	0	0	0	0	0	114.3	M31	M31-A33 VanDerWaalsContact C-N 3.26Å; M31-A33 PolarHBondContact O-N 2.9Å; M31-A33 VanDerWaalsContact O-N 3.08Å
34	I	42.9	Very low	41.5	Very low	139 Å²	139	111.7 Å²	111.7	71%	0.713	68%	0.68	S	S	*	*	H	α-helix	trans	-84.7	-31.6	-171	-62.9	174.1	0	0	0	111.8	N36 A38	I34-N36 PolarHBondContact O-N 3.44Å; I34-A38 PolarHBondContact O-N 2.97Å
35	A	41.5	Very low	42.1	Very low	66 Å²	66	110.8 Å²	110.8	55%	0.545	68%	0.679	S	S	.	*	H	α-helix	trans	-65.5	-40.4	-176.5	0	0	0	0	0	113.2
36	N	47	Very low	42.3	Very low	110 Å²	110	111.3 Å²	111.3	59%	0.588	68%	0.675	S	S	*	*	H	α-helix	trans	-74.4	-36	-177.5	-69	-3.6	0	0	0	112.2	I34 A38 A39 D40	I34-N36 PolarHBondContact O-N 3.44Å; N36-A38 VanDerWaalsContact C-N 3.3Å; N36-A38 PolarHBondContact O-N 2.93Å; N36-A39 PolarHBondContact O-N 3.08Å; N36-A39 VanDerWaalsContact O-N 3.12Å; N36-D40 PolarHBondContact O-N 2.97Å
37	A	43.3	Very low	42.8	Very low	56 Å²	56	112.2 Å²	112.2	46%	0.463	67%	0.673	S	S	.	*	H	α-helix	trans	-59.5	-40	176.6	0	0	0	0	0	112.2	A39 M41	A37-A39 VanDerWaalsContact C-N 3.34Å; A37-A39 PolarHBondContact O-N 3.24Å; A37-M41 WeakPolarHBondContact O-CG 3.33Å; A37-M41 PolarHBondContact O-N 3.48Å; A37-M41 VanDerWaalsContact O-N 3.11Å
38	A	42.7	Very low	43	Very low	53 Å²	53	112.5 Å²	112.5	44%	0.438	67%	0.669	S	S	.	*	H	α-helix	trans	-65.3	-35.5	176.2	0	0	0	0	0	112.9	I34 N36 I42	I34-A38 PolarHBondContact O-N 2.97Å; N36-A38 VanDerWaalsContact C-N 3.3Å; N36-A38 PolarHBondContact O-N 2.93Å; A38-I42 WeakPolarHBondContact O-CD1 3.43Å; A38-I42 WeakPolarHBondContact O-CG1 2.99Å; A38-I42 PolarHBondContact O-N 2.98Å
39	A	45.2	Very low	42.6	Very low	60 Å²	60	108.9 Å²	108.9	50%	0.496	66%	0.662	S	S	.	*	H	α-helix	trans	-68	-44.7	179.1	0	0	0	0	0	112.2	N36 A37 I42 K43	N36-A39 PolarHBondContact O-N 3.08Å; N36-A39 VanDerWaalsContact O-N 3.12Å; A37-A39 VanDerWaalsContact C-N 3.34Å; A37-A39 PolarHBondContact O-N 3.24Å; A39-I42 PolarHBondContact O-N 3.28Å; A39-K43 PolarHBondContact O-N 2.84Å
40	D	49.2	Very low	42.8	Very low	107 Å²	107	115.9 Å²	115.9	57%	0.572	68%	0.681	S	S	*	*	H	α-helix	trans	-73.8	-32.4	179.9	-77	-37	0	0	0	112.9	N36 I42 K43 A44	N36-D40 PolarHBondContact O-N 2.97Å; D40-I42 VanDerWaalsContact C-N 3.33Å; D40-I42 PolarHBondContact O-N 3.01Å; D40-K43 WeakPolarHBondContact O-CB 3.42Å; D40-K43 PolarHBondContact O-N 2.81Å; D40-K43 VanDerWaalsContact O-N 3.11Å; D40-A44 WeakPolarHBondContact O-CB 3.15Å; D40-A44 PolarHBondContact O-N 3.11Å
41	M	48.2	Very low	42.6	Very low	145 Å²	145	112.5 Å²	112.5	71%	0.714	68%	0.675	S	S	*	*	H	α-helix	trans	-62.1	-39.1	172.3	-73.1	-172.7	79.7	0	0	112.5	A37 K43 A44 A45	A37-M41 WeakPolarHBondContact O-CG 3.33Å; A37-M41 PolarHBondContact O-N 3.48Å; A37-M41 VanDerWaalsContact O-N 3.11Å; M41-K43 VanDerWaalsContact C-N 3.26Å; M41-K43 PolarHBondContact O-N 2.66Å; M41-A44 PolarHBondContact O-N 2.87Å; M41-A45 WeakPolarHBondContact O-CB 3.47Å; M41-A45 PolarHBondContact O-N 3.2Å; M41-A45 VanDerWaalsContact O-N 3.08Å
42	I	51.2	Low	42.3	Very low	131 Å²	131	113 Å²	113	67%	0.672	68%	0.679	S	S	*	*	H	α-helix	trans	-68.1	-27.9	175.3	-68.6	169.6	0	0	0	111.5	A38 A39 D40	A38-I42 WeakPolarHBondContact O-CD1 3.43Å; A38-I42 WeakPolarHBondContact O-CG1 2.99Å; A38-I42 PolarHBondContact O-N 2.98Å; A39-I42 PolarHBondContact O-N 3.28Å; D40-I42 VanDerWaalsContact C-N 3.33Å; D40-I42 PolarHBondContact O-N 3.01Å
43	K	50.7	Low	42	Very low	156 Å²	156	112.3 Å²	112.3	68%	0.678	69%	0.686	S	S	*	*	H	α-helix	trans	-79.4	-39.3	176.9	-141.5	173.6	-173.7	179.5	0	112.3	A39 D40 M41	A39-K43 PolarHBondContact O-N 2.84Å; D40-K43 WeakPolarHBondContact O-CB 3.42Å; D40-K43 PolarHBondContact O-N 2.81Å; D40-K43 VanDerWaalsContact O-N 3.11Å; M41-K43 VanDerWaalsContact C-N 3.26Å; M41-K43 PolarHBondContact O-N 2.66Å
44	A	46.7	Very low	41.6	Very low	67 Å²	67	111.5 Å²	111.5	55%	0.554	69%	0.685	S	S	*	*	H	α-helix	trans	-67.3	-43.4	177.3	0	0	0	0	0	112.4	D40 M41 R46 N47	D40-A44 WeakPolarHBondContact O-CB 3.15Å; D40-A44 PolarHBondContact O-N 3.11Å; M41-A44 PolarHBondContact O-N 2.87Å; A44-R46 PolarHBondContact O-N 2.99Å; A44-N47 PolarHBondContact O-N 2.91Å
45	A	44.8	Very low	41.1	Very low	78 Å²	78	114.1 Å²	114.1	65%	0.645	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-4.4	-178.8	0	0	0	0	0	115.1	M41	M41-A45 WeakPolarHBondContact O-CB 3.47Å; M41-A45 PolarHBondContact O-N 3.2Å; M41-A45 VanDerWaalsContact O-N 3.08Å
46	R	43.9	Very low	40.6	Very low	220 Å²	220	120.6 Å²	120.6	83%	0.83	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	-7.3	-177.8	-150	169.1	-173.6	163.2	0.9	114.4	A44	A44-R46 PolarHBondContact O-N 2.99Å
47	N	43.7	Very low	39.9	Very low	151 Å²	151	119 Å²	119	81%	0.807	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.6	-6.3	-175.3	-85.1	7.7	0	0	0	115.3	A44 G49	A44-N47 PolarHBondContact O-N 2.91Å; N47-G49 PolarHBondContact O-N 2.82Å
48	S	39.8	Very low	39.4	Very low	99 Å²	99	120.6 Å²	120.6	69%	0.692	74%	0.739	S	S	*	*			trans	-97	87.1	178.3	56.5	0	0	0	0	111.7
49	G	30.7	Very low	39.1	Very low	76 Å²	76	125 Å²	125	78%	0.784	75%	0.754	S	S	*	*			trans	-85.2	118.7	175.2	0	0	0	0	0	113.1	N47	N47-G49 PolarHBondContact O-N 2.82Å
50	Q	34.2	Very low	38.8	Very low	200 Å²	200	127.4 Å²	127.4	94%	0.935	76%	0.762	S	S	*	*			trans	-150.4	138.2	152.8	-112.4	170	6.9	0	0	109
51	G	31.1	Very low	38.3	Very low	76 Å²	76	130.5 Å²	130.5	78%	0.784	78%	0.777	S	S	*	*			trans	-84.5	162.3	-156.5	0	0	0	0	0	115.9
52	I	32.8	Very low	38	Very low	177 Å²	177	127.5 Å²	127.5	91%	0.908	77%	0.767	S	S	*	*			trans	-119	112.5	151.8	-50.1	177.4	0	0	0	105.4
53	A	32.9	Very low	37.5	Very low	106 Å²	106	125.8 Å²	125.8	88%	0.876	77%	0.765	S	S	*	*			trans	-84.3	141	-178.9	0	0	0	0	0	111
54	G	31.3	Very low	37.2	Very low	68 Å²	68	123.1 Å²	123.1	70%	0.701	76%	0.758	S	S	*	*			trans	172.4	122.8	175.3	0	0	0	0	0	111.9
55	M	31.8	Very low	37.2	Very low	195 Å²	195	126.7 Å²	126.7	96%	0.961	77%	0.765	S	S	*	*			trans	65	62.6	176.1	-51.8	-175.5	74.7	0	0	115.7
56	E	31.5	Very low	38	Very low	202 Å²	202	128.1 Å²	128.1	94%	0.944	76%	0.762	S	S	*	*			trans	-63.9	147.5	141.5	-71	-175.1	115.1	0	0	109.4
57	G	32.9	Very low	39	Very low	76 Å²	76	125.9 Å²	125.9	78%	0.784	76%	0.758	S	S	*	*			trans	-179	67.6	-174.5	0	0	0	0	0	112.1
58	A	33.3	Very low	40.4	Very low	90 Å²	90	123.6 Å²	123.6	74%	0.744	75%	0.745	S	S	*	*			trans	-84.2	121.8	-177.1	0	0	0	0	0	112.5
59	L	35.5	Very low	42	Very low	146 Å²	146	123.7 Å²	123.7	76%	0.764	74%	0.737	S	S	*	*			trans	-116.7	119.8	145.6	-93.4	82.5	0	0	0	105.6
60	V	39.5	Very low	44	Very low	109 Å²	109	124.8 Å²	124.8	66%	0.661	72%	0.722	S	S	*	*				56	88.1	59.6	-170.9	0	0	0	0	109.6	T62	V60-T62 HydrophobicContact CG1-CG2 4.46Å; V60-T62 PolarHBondContact O-N 2.98Å; V60-T62 VanDerWaalsContact O-N 3.1Å
61	I	38.3	Very low	45.9	Very low	173 Å²	173	121 Å²	121	89%	0.887	70%	0.704	S	S	*	*			trans	-71.7	102.1	175	-59.1	171.9	0	0	0	108
62	T	41.7	Very low	48.1	Very low	82 Å²	82	126.3 Å²	126.3	50%	0.503	70%	0.7	S	S	.	*			trans	-95	140.4	161	44.1	0	0	0	0	109.4	V60	V60-T62 HydrophobicContact CG1-CG2 4.46Å; V60-T62 PolarHBondContact O-N 2.98Å; V60-T62 VanDerWaalsContact O-N 3.1Å
63	P	39.4	Very low	50.4	Low	95 Å²	95	125.3 Å²	125.3	62%	0.617	69%	0.685	S	S	*	*	S	Bend	trans	-65.6	173.8	164.7	31.7	-34.7	0	0	0	110.5
64	N	45	Very low	52.3	Low	100 Å²	100	125.1 Å²	125.1	54%	0.535	67%	0.669	S	S	.	*			trans	61.1	64	-176.9	-54	92.2	0	0	0	115.3	E773	N64-E773 VanDerWaalsContact CA-OE1 3.24Å; N64-E773 WeakPolarHBondContact CA-OE1 3.41Å; N64-E773 PolarHBondContact N-OE1 3.09Å; N64-E773 VanDerWaalsContact ND2-CD 3.3Å; N64-E773 PolarHBondContact ND2-OE1 3.27Å
65	M	47.9	Very low	54.5	Low	142 Å²	142	125.7 Å²	125.7	70%	0.7	66%	0.656	S	S	*	*			trans	-135	151	156.3	-82	-151.8	73.7	0	0	112.3
66	D	60.8	Low	56.9	Low	108 Å²	108	121 Å²	121	58%	0.578	63%	0.634	S	S	*	*			trans	-76.5	131.9	-157.2	-137.4	-30.7	0	0	0	114.4	D68 I69 E70	D66-D68 VanDerWaalsContact C-N 3.29Å; D66-D68 PolarHBondContact O-N 2.94Å; D66-I69 HydrophobicContact CB-CD1 3.89Å; D66-I69 HydrophobicContact CB-CG1 4.11Å; D66-I69 PolarHBondContact O-N 2.99Å; D66-E70 PolarHBondContact O-N 3.15Å
67	K	65.8	Low	59.2	Low	173 Å²	173	115.9 Å²	115.9	75%	0.752	61%	0.611	S	S	*	*	H	α-helix	trans	-65.9	-32.5	-173.7	-76.3	-180	177.8	170.7	0	112.6	I69 E70 Q71	K67-I69 VanDerWaalsContact C-N 3.29Å; K67-I69 PolarHBondContact O-N 3.44Å; K67-E70 PolarHBondContact O-N 2.93Å; K67-Q71 WeakPolarHBondContact O-CB 3.41Å; K67-Q71 PolarHBondContact O-N 3.02Å
68	D	71.5	Confident	61.2	Low	102 Å²	102	117.1 Å²	117.1	55%	0.545	60%	0.597	S	S	.	*	H	α-helix	trans	-71.9	-25.1	-178.6	-69.5	-6.3	0	0	0	112.3	D66 R72	D66-D68 VanDerWaalsContact C-N 3.29Å; D66-D68 PolarHBondContact O-N 2.94Å; D68-R72 WeakPolarHBondContact O-CB 3.32Å; D68-R72 VanDerWaalsContact O-CG 3.26Å; D68-R72 WeakPolarHBondContact O-CG 3.06Å; D68-R72 PolarHBondContact O-N 3.09Å
69	I	74.2	Confident	63.3	Low	102 Å²	102	118.3 Å²	118.3	52%	0.523	59%	0.587	S	S	.	*	H	α-helix	trans	-72.3	-47.8	173.9	-60.8	174.1	0	0	0	109.8	D66 K67 Q71 R72 R73	D66-I69 HydrophobicContact CB-CD1 3.89Å; D66-I69 HydrophobicContact CB-CG1 4.11Å; D66-I69 PolarHBondContact O-N 2.99Å; K67-I69 VanDerWaalsContact C-N 3.29Å; K67-I69 PolarHBondContact O-N 3.44Å; I69-Q71 VanDerWaalsContact C-N 3.31Å; I69-Q71 PolarHBondContact O-N 2.92Å; I69-R72 PolarHBondContact O-N 3.37Å; I69-R73 WeakPolarHBondContact O-CB 3.49Å; I69-R73 PolarHBondContact O-N 3.4Å
70	E	71.9	Confident	65.7	Low	99 Å²	99	117.2 Å²	117.2	46%	0.463	58%	0.576	S	S	.	*	H	α-helix	trans	-65.3	-35.4	177.4	-155.6	68.6	-115.7	0	0	111.4	D66 K67 R73 L74	D66-E70 PolarHBondContact O-N 3.15Å; K67-E70 PolarHBondContact O-N 2.93Å; E70-R73 WeakPolarHBondContact O-CB 3.39Å; E70-R73 PolarHBondContact O-N 2.9Å; E70-R73 WeakPolarHBondContact OE1-CD 3.39Å; E70-R73 IonicContact OE1-CZ 3.85Å; E70-R73 IonicContact OE1-NE 3.67Å; E70-R73 IonicContact OE1-NH1 2.76Å; E70-R73 PolarHBondContact OE1-NH1 3.02Å; E70-R73 IonicContact OE2-NH1 3.7Å; E70-L74 WeakPolarHBondContact O-CB 3.49Å; E70-L74 PolarHBondContact O-N 2.85Å
71	Q	74.7	Confident	67.6	Low	119 Å²	119	119.4 Å²	119.4	56%	0.556	57%	0.573	S	S	*	*	H	α-helix	trans	-70.7	-43.1	176.6	-166.4	163.2	-40	0	0	112.2	K67 I69 R73 L74 D75	K67-Q71 WeakPolarHBondContact O-CB 3.41Å; K67-Q71 PolarHBondContact O-N 3.02Å; I69-Q71 VanDerWaalsContact C-N 3.31Å; I69-Q71 PolarHBondContact O-N 2.92Å; Q71-R73 VanDerWaalsContact C-N 3.29Å; Q71-R73 PolarHBondContact O-N 3.33Å; Q71-L74 WeakPolarHBondContact O-CB 3.26Å; Q71-L74 PolarHBondContact O-N 2.95Å; Q71-L74 VanDerWaalsContact O-N 3.15Å; Q71-D75 PolarHBondContact O-N 3.46Å
72	R	77.2	Confident	69.5	Low	188 Å²	188	119.9 Å²	119.9	71%	0.709	56%	0.563	S	S	*	*	H	α-helix	trans	-59.6	-37.6	170.8	-77.6	176.7	-176.9	176.3	4.7	112.4	D68 I69 L76	D68-R72 WeakPolarHBondContact O-CB 3.32Å; D68-R72 VanDerWaalsContact O-CG 3.26Å; D68-R72 WeakPolarHBondContact O-CG 3.06Å; D68-R72 PolarHBondContact O-N 3.09Å; I69-R72 PolarHBondContact O-N 3.37Å; R72-L76 WeakPolarHBondContact O-CB 3.45Å; R72-L76 PolarHBondContact O-N 3.5Å
73	R	80.5	Confident	71.5	Confident	156 Å²	156	120.6 Å²	120.6	59%	0.589	56%	0.561	S	S	*	*	H	α-helix	trans	-63.3	-44.3	173.8	-174	-159.6	-172	169	3.6	111.3	I69 E70 Q71 L76 E77	I69-R73 WeakPolarHBondContact O-CB 3.49Å; I69-R73 PolarHBondContact O-N 3.4Å; E70-R73 WeakPolarHBondContact O-CB 3.39Å; E70-R73 PolarHBondContact O-N 2.9Å; E70-R73 WeakPolarHBondContact OE1-CD 3.39Å; E70-R73 IonicContact OE1-CZ 3.85Å; E70-R73 IonicContact OE1-NE 3.67Å; E70-R73 IonicContact OE1-NH1 2.76Å; E70-R73 PolarHBondContact OE1-NH1 3.02Å; E70-R73 IonicContact OE2-NH1 3.7Å; Q71-R73 VanDerWaalsContact C-N 3.29Å; Q71-R73 PolarHBondContact O-N 3.33Å; R73-L76 PolarHBondContact O-N 3.35Å; R73-E77 PolarHBondContact O-N 2.97Å
74	L	73.8	Confident	73.5	Confident	102 Å²	102	123.7 Å²	123.7	53%	0.534	56%	0.56	S	S	.	*	H	α-helix	trans	-62.4	-42.6	176.6	-111.1	162.6	0	0	0	112.6	E70 Q71 E77 M78	E70-L74 WeakPolarHBondContact O-CB 3.49Å; E70-L74 PolarHBondContact O-N 2.85Å; Q71-L74 WeakPolarHBondContact O-CB 3.26Å; Q71-L74 PolarHBondContact O-N 2.95Å; Q71-L74 VanDerWaalsContact O-N 3.15Å; L74-E77 PolarHBondContact O-N 2.92Å; L74-M78 WeakPolarHBondContact O-CB 3.41Å; L74-M78 WeakPolarHBondContact O-CG 3.46Å; L74-M78 PolarHBondContact O-N 3.46Å
75	D	77.6	Confident	75.2	Confident	81 Å²	81	122.4 Å²	122.4	43%	0.433	56%	0.556	S	S	.	*	H	α-helix	trans	-68	-42.8	176.4	-77.6	-37.1	0	0	0	112	Q71 E77 M78 Q79	Q71-D75 PolarHBondContact O-N 3.46Å; D75-E77 VanDerWaalsContact C-N 3.29Å; D75-E77 PolarHBondContact O-N 2.93Å; D75-M78 PolarHBondContact O-N 3.25Å; D75-M78 WeakPolarHBondContact OD1-CE 3.42Å; D75-Q79 WeakPolarHBondContact O-CB 3.3Å; D75-Q79 PolarHBondContact O-N 3.11Å
76	L	81.5	Confident	76.7	Confident	95 Å²	95	120.9 Å²	120.9	50%	0.497	55%	0.547	S	S	.	.	H	α-helix	trans	-58.6	-39.3	171.1	-98.4	164.3	0	0	0	112.3	R72 R73 K80	R72-L76 WeakPolarHBondContact O-CB 3.45Å; R72-L76 PolarHBondContact O-N 3.5Å; R73-L76 PolarHBondContact O-N 3.35Å; L76-K80 WeakPolarHBondContact O-CB 3.42Å; L76-K80 VanDerWaalsContact O-CG 3.3Å; L76-K80 WeakPolarHBondContact O-CG 3.17Å; L76-K80 PolarHBondContact O-N 3.35Å
77	E	79.9	Confident	77.8	Confident	96 Å²	96	122.1 Å²	122.1	45%	0.449	54%	0.544	S	S	.	.	H	α-helix	trans	-71.2	-41.5	175.6	-168.4	171.2	150.5	0	0	111.7	R73 L74 D75 Q79 K80 R81	R73-E77 PolarHBondContact O-N 2.97Å; L74-E77 PolarHBondContact O-N 2.92Å; D75-E77 VanDerWaalsContact C-N 3.29Å; D75-E77 PolarHBondContact O-N 2.93Å; E77-Q79 VanDerWaalsContact C-N 3.31Å; E77-Q79 PolarHBondContact O-N 3.02Å; E77-K80 CarbonylContact O-C 3.59Å; E77-K80 PolarHBondContact O-N 3.24Å; E77-R81 WeakPolarHBondContact O-CB 3.35Å; E77-R81 PolarHBondContact O-N 3.49Å; E77-R81 IonicContact OE1-NH1 3.06Å; E77-R81 PolarHBondContact OE1-NH1 3.03Å
78	M	74.7	Confident	78.6	Confident	101 Å²	101	120.6 Å²	120.6	50%	0.498	53%	0.533	S	S	.	.	H	α-helix	trans	-61.1	-38	173.4	-79.7	-155.8	-69.8	0	0	112.5	L74 D75 R81 R82	L74-M78 WeakPolarHBondContact O-CB 3.41Å; L74-M78 WeakPolarHBondContact O-CG 3.46Å; L74-M78 PolarHBondContact O-N 3.46Å; D75-M78 PolarHBondContact O-N 3.25Å; D75-M78 WeakPolarHBondContact OD1-CE 3.42Å; M78-R81 WeakPolarHBondContact O-CB 3.42Å; M78-R81 PolarHBondContact O-N 2.77Å; M78-R82 PolarHBondContact O-N 3.09Å
79	Q	78	Confident	79	Confident	116 Å²	116	123.7 Å²	123.7	54%	0.542	54%	0.538	S	S	.	.	H	α-helix	trans	-66.5	-48.4	175.8	-164.2	167.6	13.6	0	0	110.7	D75 E77 R81 R82 E83	D75-Q79 WeakPolarHBondContact O-CB 3.3Å; D75-Q79 PolarHBondContact O-N 3.11Å; E77-Q79 VanDerWaalsContact C-N 3.31Å; E77-Q79 PolarHBondContact O-N 3.02Å; Q79-R81 PolarHBondContact O-N 3.49Å; Q79-R82 WeakPolarHBondContact O-CB 3.43Å; Q79-R82 PolarHBondContact O-N 3.36Å; Q79-R82 VanDerWaalsContact O-N 3.15Å; Q79-E83 PolarHBondContact O-N 2.8Å
80	K	86	Confident	79.4	Confident	122 Å²	122	126 Å²	126	53%	0.53	54%	0.54	S	S	.	.	H	α-helix	trans	-59.2	-26.4	170.2	-73.3	172.1	179.6	175.7	0	113.3	L76 E77 R84	L76-K80 WeakPolarHBondContact O-CB 3.42Å; L76-K80 VanDerWaalsContact O-CG 3.3Å; L76-K80 WeakPolarHBondContact O-CG 3.17Å; L76-K80 PolarHBondContact O-N 3.35Å; E77-K80 CarbonylContact O-C 3.59Å; E77-K80 PolarHBondContact O-N 3.24Å; K80-R84 WeakPolarHBondContact O-CB 3.35Å; K80-R84 PolarHBondContact O-N 2.82Å
81	R	78.6	Confident	79.9	Confident	156 Å²	156	126 Å²	126	59%	0.589	54%	0.54	S	S	*	.	H	α-helix	trans	-77.8	-42.1	175.5	-143.1	166.9	-174.9	130.9	-7.9	111.2	E77 M78 Q79 R84 V85	E77-R81 WeakPolarHBondContact O-CB 3.35Å; E77-R81 PolarHBondContact O-N 3.49Å; E77-R81 IonicContact OE1-NH1 3.06Å; E77-R81 PolarHBondContact OE1-NH1 3.03Å; M78-R81 WeakPolarHBondContact O-CB 3.42Å; M78-R81 PolarHBondContact O-N 2.77Å; Q79-R81 PolarHBondContact O-N 3.49Å; R81-R84 PolarHBondContact O-N 3.43Å; R81-V85 WeakPolarHBondContact O-CG2 3.3Å; R81-V85 PolarHBondContact O-N 2.77Å
82	R	78	Confident	80.3	Confident	182 Å²	182	127 Å²	127	69%	0.687	54%	0.538	S	S	*	.	H	α-helix	trans	-58.6	-52.7	171.9	-81.6	179.4	170.8	-106.4	14.9	111.6	M78 Q79 R84 V85 E86	M78-R82 PolarHBondContact O-N 3.09Å; Q79-R82 WeakPolarHBondContact O-CB 3.43Å; Q79-R82 PolarHBondContact O-N 3.36Å; Q79-R82 VanDerWaalsContact O-N 3.15Å; R82-R84 VanDerWaalsContact C-N 3.28Å; R82-R84 PolarHBondContact O-N 3.25Å; R82-V85 PolarHBondContact O-N 3.33Å; R82-E86 WeakPolarHBondContact O-CB 3.24Å; R82-E86 PolarHBondContact O-N 2.78Å
83	E	83.6	Confident	80.5	Confident	98 Å²	98	127 Å²	127	46%	0.458	54%	0.538	S	S	.	.	H	α-helix	trans	-56.4	-42.3	178.4	-73.6	-178.1	-174.6	0	0	112.3	Q79 E86 R87	Q79-E83 PolarHBondContact O-N 2.8Å; E83-E86 PolarHBondContact O-N 3.18Å; E83-R87 VanDerWaalsContact O-CB 3.27Å; E83-R87 WeakPolarHBondContact O-CB 3.42Å; E83-R87 PolarHBondContact O-N 3.38Å
84	R	83.3	Confident	80.6	Confident	159 Å²	159	124.8 Å²	124.8	60%	0.6	54%	0.537	S	S	*	.	H	α-helix	trans	-65.6	-41.4	179.7	-158.2	-174	-46.3	-179.4	7	111.9	K80 R81 R82 W88	K80-R84 WeakPolarHBondContact O-CB 3.35Å; K80-R84 PolarHBondContact O-N 2.82Å; R81-R84 PolarHBondContact O-N 3.43Å; R82-R84 VanDerWaalsContact C-N 3.28Å; R82-R84 PolarHBondContact O-N 3.25Å; R84-W88 WeakPolarHBondContact O-CB 3.5Å; R84-W88 PolarHBondContact O-N 2.87Å
85	V	79	Confident	81.1	Confident	73 Å²	73	127 Å²	127	44%	0.442	54%	0.543	S	S	.	.	H	α-helix	trans	-66.9	-38.8	174.4	170.1	0	0	0	0	111.4	R81 R82 R89	R81-V85 WeakPolarHBondContact O-CG2 3.3Å; R81-V85 PolarHBondContact O-N 2.77Å; R82-V85 PolarHBondContact O-N 3.33Å; V85-R89 VanDerWaalsContact O-CG 3.31Å; V85-R89 WeakPolarHBondContact O-CG 3.47Å; V85-R89 PolarHBondContact O-N 3.23Å
86	E	79.5	Confident	81.1	Confident	111 Å²	111	129 Å²	129	52%	0.519	55%	0.549	S	S	.	.	H	α-helix	trans	-73.8	-39	-180	-164.3	-179.2	-101.6	0	0	112.7	R82 E83 W88 R89 R90	R82-E86 WeakPolarHBondContact O-CB 3.24Å; R82-E86 PolarHBondContact O-N 2.78Å; E83-E86 PolarHBondContact O-N 3.18Å; E86-W88 VanDerWaalsContact C-N 3.35Å; E86-R89 WeakPolarHBondContact O-CB 3.32Å; E86-R89 PolarHBondContact O-N 3Å; E86-R90 PolarHBondContact O-N 2.99Å; E86-R90 IonicContact OE2-CZ 2.66Å; E86-R90 IonicContact OE2-NH2 3.15Å; E86-R90 PolarHBondContact OE2-NH2 2.82Å
87	R	83.8	Confident	81	Confident	133 Å²	133	129.4 Å²	129.4	50%	0.502	55%	0.552	S	S	.	*	H	α-helix	trans	-59.4	-45.8	170.7	-167.9	178.6	-59.2	146.6	8	110.8	E83 R89 R90 E91	E83-R87 VanDerWaalsContact O-CB 3.27Å; E83-R87 WeakPolarHBondContact O-CB 3.42Å; E83-R87 PolarHBondContact O-N 3.38Å; R87-R89 PolarHBondContact O-N 2.95Å; R87-R90 WeakPolarHBondContact O-CB 3.23Å; R87-R90 PolarHBondContact O-N 3.49Å; R87-R90 VanDerWaalsContact O-N 3.16Å; R87-E91 WeakPolarHBondContact O-CG 3.49Å; R87-E91 PolarHBondContact O-N 3.1Å
88	W	83.6	Confident	81	Confident	141 Å²	141	128.7 Å²	128.7	53%	0.534	55%	0.551	S	S	.	*	H	α-helix	trans	-61.9	-38.7	174	-177.5	85.2	0	0	0	113.1	R84 E86 R92	R84-W88 WeakPolarHBondContact O-CB 3.5Å; R84-W88 PolarHBondContact O-N 2.87Å; E86-W88 VanDerWaalsContact C-N 3.35Å; W88-R92 VanDerWaalsContact O-CB 3.23Å; W88-R92 WeakPolarHBondContact O-CB 3.46Å; W88-R92 PolarHBondContact O-N 2.88Å
89	R	80.4	Confident	81.3	Confident	168 Å²	168	128.5 Å²	128.5	63%	0.634	55%	0.551	S	S	*	*	H	α-helix	trans	-63.4	-40.6	172.4	-76.9	172.8	173.7	-162.9	-4.8	112	V85 E86 R87 R92 R93	V85-R89 VanDerWaalsContact O-CG 3.31Å; V85-R89 WeakPolarHBondContact O-CG 3.47Å; V85-R89 PolarHBondContact O-N 3.23Å; E86-R89 WeakPolarHBondContact O-CB 3.32Å; E86-R89 PolarHBondContact O-N 3Å; R87-R89 PolarHBondContact O-N 2.95Å; R89-R92 PolarHBondContact O-N 2.66Å; R89-R93 PolarHBondContact O-N 3.15Å
90	R	81.9	Confident	81.3	Confident	151 Å²	151	124.9 Å²	124.9	57%	0.57	54%	0.541	S	S	*	.	H	α-helix	trans	-65.3	-50.1	174.9	-105.4	177.5	-79.2	145.9	-9.4	112	E86 R87 R92 R93 L94	E86-R90 PolarHBondContact O-N 2.99Å; E86-R90 IonicContact OE2-CZ 2.66Å; E86-R90 IonicContact OE2-NH2 3.15Å; E86-R90 PolarHBondContact OE2-NH2 2.82Å; R87-R90 WeakPolarHBondContact O-CB 3.23Å; R87-R90 PolarHBondContact O-N 3.49Å; R87-R90 VanDerWaalsContact O-N 3.16Å; R90-R92 VanDerWaalsContact C-N 3.27Å; R90-R92 PolarHBondContact O-N 2.86Å; R90-R93 PolarHBondContact O-N 3.21Å; R90-L94 WeakPolarHBondContact O-CB 3.49Å; R90-L94 PolarHBondContact O-N 2.93Å
91	E	82.8	Confident	80.9	Confident	98 Å²	98	121.8 Å²	121.8	46%	0.458	54%	0.538	S	S	.	.	H	α-helix	trans	-57.9	-39	174.8	-74.4	173.5	-155.2	0	0	112.3	R87 L94 K95	R87-E91 WeakPolarHBondContact O-CG 3.49Å; R87-E91 PolarHBondContact O-N 3.1Å; E91-L94 PolarHBondContact O-N 2.86Å; E91-K95 WeakPolarHBondContact O-CB 3.43Å; E91-K95 WeakPolarHBondContact O-CG 3.48Å; E91-K95 PolarHBondContact O-N 3.08Å
92	R	83.6	Confident	80.8	Confident	140 Å²	140	120.4 Å²	120.4	53%	0.528	54%	0.538	S	S	.	.	H	α-helix	trans	-70.4	-38	178.4	-174.6	170.5	175.2	158.3	-0.7	112.7	W88 R89 R90 Q96	W88-R92 VanDerWaalsContact O-CB 3.23Å; W88-R92 WeakPolarHBondContact O-CB 3.46Å; W88-R92 PolarHBondContact O-N 2.88Å; R89-R92 PolarHBondContact O-N 2.66Å; R90-R92 VanDerWaalsContact C-N 3.27Å; R90-R92 PolarHBondContact O-N 2.86Å; R92-Q96 WeakPolarHBondContact O-CG 3.43Å; R92-Q96 PolarHBondContact O-N 3.24Å; R92-Q96 VanDerWaalsContact O-N 3.12Å
93	R	80.2	Confident	80.6	Confident	187 Å²	187	117.3 Å²	117.3	71%	0.706	53%	0.532	S	S	*	.	H	α-helix	trans	-60.9	-54.9	168.6	-81.9	-172.9	172.3	-178.2	-3.7	110.4	R89 R90 K95 Q96 D97	R89-R93 PolarHBondContact O-N 3.15Å; R90-R93 PolarHBondContact O-N 3.21Å; R93-K95 VanDerWaalsContact C-N 3.26Å; R93-K95 PolarHBondContact O-N 2.88Å; R93-K95 VanDerWaalsContact O-N 3.16Å; R93-Q96 CarbonylContact O-C 3.59Å; R93-Q96 WeakPolarHBondContact O-CA 3.33Å; R93-Q96 WeakPolarHBondContact O-CB 3.46Å; R93-Q96 PolarHBondContact O-N 3.49Å; R93-D97 PolarHBondContact O-N 3.27Å; R93-D97 VanDerWaalsContact O-OD2 3.11Å
94	L	82.6	Confident	80.2	Confident	110 Å²	110	121.8 Å²	121.8	58%	0.576	55%	0.545	S	S	*	.	H	α-helix	trans	-53.9	-41.4	-179.6	-155.6	87.1	0	0	0	112.3	R90 E91 D97 I98	R90-L94 WeakPolarHBondContact O-CB 3.49Å; R90-L94 PolarHBondContact O-N 2.93Å; E91-L94 PolarHBondContact O-N 2.86Å; L94-D97 PolarHBondContact O-N 2.9Å; L94-I98 HydrophobicContact CD2-CD1 4.07Å; L94-I98 HydrophobicContact CG-CD1 4.02Å; L94-I98 VanDerWaalsContact O-CB 3.32Å; L94-I98 WeakPolarHBondContact O-CB 3.48Å; L94-I98 WeakPolarHBondContact O-CD1 3.18Å; L94-I98 WeakPolarHBondContact O-CG1 3.36Å; L94-I98 PolarHBondContact O-N 3.21Å
95	K	83.9	Confident	79.7	Confident	149 Å²	149	119.9 Å²	119.9	65%	0.648	55%	0.545	S	S	*	.	H	α-helix	trans	-67.7	-33.9	174.5	-78.1	-179.2	177.1	175.9	0	113.8	E91 R93 L99	E91-K95 WeakPolarHBondContact O-CB 3.43Å; E91-K95 WeakPolarHBondContact O-CG 3.48Å; E91-K95 PolarHBondContact O-N 3.08Å; R93-K95 VanDerWaalsContact C-N 3.26Å; R93-K95 PolarHBondContact O-N 2.88Å; R93-K95 VanDerWaalsContact O-N 3.16Å; K95-L99 VanDerWaalsContact O-CB 3.23Å; K95-L99 WeakPolarHBondContact O-CB 3.26Å; K95-L99 PolarHBondContact O-N 3.34Å; K95-L99 VanDerWaalsContact O-N 3.1Å
96	Q	77.5	Confident	79.2	Confident	122 Å²	122	118.7 Å²	118.7	57%	0.57	54%	0.544	S	S	*	.	H	α-helix	trans	-71.6	-40	172.8	-72.7	-172.1	-92.8	0	0	111.7	R92 R93 L99 A100	R92-Q96 WeakPolarHBondContact O-CG 3.43Å; R92-Q96 PolarHBondContact O-N 3.24Å; R92-Q96 VanDerWaalsContact O-N 3.12Å; R93-Q96 CarbonylContact O-C 3.59Å; R93-Q96 WeakPolarHBondContact O-CA 3.33Å; R93-Q96 WeakPolarHBondContact O-CB 3.46Å; R93-Q96 PolarHBondContact O-N 3.49Å; Q96-L99 PolarHBondContact O-N 2.94Å; Q96-A100 WeakPolarHBondContact O-CB 3.42Å; Q96-A100 PolarHBondContact O-N 3.5Å
97	D	80.5	Confident	78.6	Confident	104 Å²	104	120.5 Å²	120.5	56%	0.556	55%	0.552	S	S	*	*	H	α-helix	trans	-68.2	-42.5	179.1	-60.7	-39.7	0	0	0	111.2	R93 L94 A100 A101	R93-D97 PolarHBondContact O-N 3.27Å; R93-D97 VanDerWaalsContact O-OD2 3.11Å; L94-D97 PolarHBondContact O-N 2.9Å; D97-A100 PolarHBondContact O-N 3.04Å; D97-A101 WeakPolarHBondContact O-CB 3.48Å; D97-A101 PolarHBondContact O-N 3.46Å
98	I	80.3	Confident	77.3	Confident	81 Å²	81	118.4 Å²	118.4	42%	0.415	56%	0.558	S	S	.	*	H	α-helix	trans	-61.5	-43.6	171.8	-71	165.1	0	0	0	111.2	L94 A101 Q102	L94-I98 HydrophobicContact CD2-CD1 4.07Å; L94-I98 HydrophobicContact CG-CD1 4.02Å; L94-I98 VanDerWaalsContact O-CB 3.32Å; L94-I98 WeakPolarHBondContact O-CB 3.48Å; L94-I98 WeakPolarHBondContact O-CD1 3.18Å; L94-I98 WeakPolarHBondContact O-CG1 3.36Å; L94-I98 PolarHBondContact O-N 3.21Å; I98-A101 PolarHBondContact O-N 3.04Å; I98-Q102 HydrophobicContact CG2-CG 4.42Å; I98-Q102 WeakPolarHBondContact O-CB 3.41Å; I98-Q102 WeakPolarHBondContact O-CG 3.33Å; I98-Q102 PolarHBondContact O-N 2.96Å
99	L	79.8	Confident	75.8	Confident	97 Å²	97	116.4 Å²	116.4	51%	0.508	56%	0.561	S	S	.	*	H	α-helix	trans	-68.8	-37.5	-179.6	-164	155.1	0	0	0	111.3	K95 Q96 Q102 Q103	K95-L99 VanDerWaalsContact O-CB 3.23Å; K95-L99 WeakPolarHBondContact O-CB 3.26Å; K95-L99 PolarHBondContact O-N 3.34Å; K95-L99 VanDerWaalsContact O-N 3.1Å; Q96-L99 PolarHBondContact O-N 2.94Å; L99-Q102 PolarHBondContact O-N 3.21Å; L99-Q103 HydrophobicContact CD2-CG 4.25Å; L99-Q103 WeakPolarHBondContact O-CG 3.47Å; L99-Q103 PolarHBondContact O-N 3.35Å
100	A	79.2	Confident	74.1	Confident	41 Å²	41	119.2 Å²	119.2	34%	0.339	57%	0.572	S	S	.	*	H	α-helix	trans	-66.7	-38.2	172.5	0	0	0	0	0	112.4	Q96 D97 Q103 R104	Q96-A100 WeakPolarHBondContact O-CB 3.42Å; Q96-A100 PolarHBondContact O-N 3.5Å; D97-A100 PolarHBondContact O-N 3.04Å; A100-Q103 PolarHBondContact O-N 2.82Å; A100-R104 WeakPolarHBondContact O-CG 3.48Å; A100-R104 PolarHBondContact O-N 3.23Å
101	A	77.6	Confident	72	Confident	56 Å²	56	115 Å²	115	46%	0.463	58%	0.576	S	S	.	*	H	α-helix	trans	-65.4	-44.5	173.2	0	0	0	0	0	111.6	D97 I98 Q103 R104 L105	D97-A101 WeakPolarHBondContact O-CB 3.48Å; D97-A101 PolarHBondContact O-N 3.46Å; I98-A101 PolarHBondContact O-N 3.04Å; A101-Q103 VanDerWaalsContact C-N 3.34Å; A101-Q103 PolarHBondContact O-N 3.38Å; A101-R104 PolarHBondContact O-N 2.88Å; A101-L105 WeakPolarHBondContact O-CB 3.32Å; A101-L105 PolarHBondContact O-N 3.2Å
102	Q	75.8	Confident	69.8	Low	127 Å²	127	115.8 Å²	115.8	59%	0.593	59%	0.587	S	S	*	*	H	α-helix	trans	-62.6	-37.7	174.9	-76.3	179.2	-11.3	0	0	112.4	I98 L99 L105 A106	I98-Q102 HydrophobicContact CG2-CG 4.42Å; I98-Q102 WeakPolarHBondContact O-CB 3.41Å; I98-Q102 WeakPolarHBondContact O-CG 3.33Å; I98-Q102 PolarHBondContact O-N 2.96Å; L99-Q102 PolarHBondContact O-N 3.21Å; Q102-L105 PolarHBondContact O-N 2.96Å; Q102-A106 VanDerWaalsContact O-CB 3.24Å; Q102-A106 WeakPolarHBondContact O-CB 3.46Å; Q102-A106 PolarHBondContact O-N 3.42Å
103	Q	74.6	Confident	67.4	Low	117 Å²	117	114.8 Å²	114.8	55%	0.547	60%	0.596	S	S	.	*	H	α-helix	trans	-64.1	-46.4	173.1	-77.8	-175.3	-42.8	0	0	111.8	L99 A100 A101 L105 A106 E107	L99-Q103 HydrophobicContact CD2-CG 4.25Å; L99-Q103 WeakPolarHBondContact O-CG 3.47Å; L99-Q103 PolarHBondContact O-N 3.35Å; A100-Q103 PolarHBondContact O-N 2.82Å; A101-Q103 VanDerWaalsContact C-N 3.34Å; A101-Q103 PolarHBondContact O-N 3.38Å; Q103-L105 VanDerWaalsContact C-N 3.33Å; Q103-L105 PolarHBondContact O-N 3.15Å; Q103-A106 PolarHBondContact O-N 2.86Å; Q103-E107 WeakPolarHBondContact O-CB 3.35Å; Q103-E107 WeakPolarHBondContact O-CG 3.35Å; Q103-E107 PolarHBondContact O-N 2.82Å
104	R	74.4	Confident	65.2	Low	193 Å²	193	112.6 Å²	112.6	73%	0.728	60%	0.597	S	S	*	*	H	α-helix	trans	-60.6	-40.9	174.8	-72.1	176.2	-179.4	-180	2.2	112.5	A100 A101 E107 S108	A100-R104 WeakPolarHBondContact O-CG 3.48Å; A100-R104 PolarHBondContact O-N 3.23Å; A101-R104 PolarHBondContact O-N 2.88Å; R104-E107 PolarHBondContact O-N 2.81Å; R104-S108 WeakPolarHBondContact O-CB 3.43Å; R104-S108 PolarHBondContact O-N 3.33Å
105	L	72.3	Confident	62.8	Low	118 Å²	118	114 Å²	114	62%	0.618	61%	0.606	S	S	*	*	H	α-helix	trans	-67.2	-41.2	178	-152.7	76.3	0	0	0	111.2	A101 Q102 Q103 S108 T109	A101-L105 WeakPolarHBondContact O-CB 3.32Å; A101-L105 PolarHBondContact O-N 3.2Å; Q102-L105 PolarHBondContact O-N 2.96Å; Q103-L105 VanDerWaalsContact C-N 3.33Å; Q103-L105 PolarHBondContact O-N 3.15Å; L105-S108 WeakPolarHBondContact O-CB 3.49Å; L105-S108 PolarHBondContact O-N 3.32Å; L105-T109 PolarHBondContact O-N 3.43Å; L105-T109 PolarHBondContact O-OG1 3.11Å
106	A	69.7	Low	60.4	Low	49 Å²	49	116.4 Å²	116.4	41%	0.405	62%	0.616	S	S	.	*	H	α-helix	trans	-68.7	-32	176.7	0	0	0	0	0	113.5	Q102 Q103 R110	Q102-A106 VanDerWaalsContact O-CB 3.24Å; Q102-A106 WeakPolarHBondContact O-CB 3.46Å; Q102-A106 PolarHBondContact O-N 3.42Å; Q103-A106 PolarHBondContact O-N 2.86Å; A106-R110 WeakPolarHBondContact O-CG 3.32Å
107	E	66.5	Low	58.4	Low	149 Å²	149	121 Å²	121	70%	0.696	63%	0.628	S	S	*	*	H	α-helix	trans	-69.4	-38.9	170.1	-73.5	173.9	169.5	0	0	111	Q103 R104	Q103-E107 WeakPolarHBondContact O-CB 3.35Å; Q103-E107 WeakPolarHBondContact O-CG 3.35Å; Q103-E107 PolarHBondContact O-N 2.82Å; R104-E107 PolarHBondContact O-N 2.81Å
108	S	56.2	Low	56.4	Low	89 Å²	89	122.1 Å²	122.1	62%	0.622	63%	0.634	S	S	*	*	H	α-helix	trans	-69	-41	175.9	-179.6	0	0	0	0	113.6	R104 L105 R110	R104-S108 WeakPolarHBondContact O-CB 3.43Å; R104-S108 PolarHBondContact O-N 3.33Å; L105-S108 WeakPolarHBondContact O-CB 3.49Å; L105-S108 PolarHBondContact O-N 3.32Å; S108-R110 VanDerWaalsContact C-N 3.3Å; S108-R110 PolarHBondContact O-N 3.08Å
109	T	51.9	Low	54.3	Low	98 Å²	98	124.1 Å²	124.1	60%	0.601	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-78.1	-7.3	-177.5	51.1	0	0	0	0	114.7	L105 G111	L105-T109 PolarHBondContact O-N 3.43Å; L105-T109 PolarHBondContact O-OG1 3.11Å; T109-G111 PolarHBondContact O-N 3.23Å
110	R	45.1	Very low	52.3	Low	228 Å²	228	127 Å²	127	86%	0.86	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-81.1	11.7	174.7	-80.8	178.9	167.6	-169.9	-4.5	113.8	A106 S108	A106-R110 WeakPolarHBondContact O-CG 3.32Å; S108-R110 VanDerWaalsContact C-N 3.3Å; S108-R110 PolarHBondContact O-N 3.08Å
111	G	36.9	Very low	50.4	Low	63 Å²	63	131.9 Å²	131.9	65%	0.649	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-97.6	-1.1	-174.2	0	0	0	0	0	117.9	T109	T109-G111 PolarHBondContact O-N 3.23Å
112	T	37.3	Very low	48.7	Very low	114 Å²	114	136.9 Å²	136.9	70%	0.699	70%	0.695	S	S	*	*			trans	-140.1	105	-170	12.2	0	0	0	0	116.3
113	T	32.9	Very low	46.9	Very low	118 Å²	118	139.9 Å²	139.9	72%	0.724	71%	0.709	S	S	*	*			trans	62.3	123.5	136	49.7	0	0	0	0	123.7
114	I	35.2	Very low	45.4	Very low	141 Å²	141	141.3 Å²	141.3	72%	0.723	72%	0.721	S	S	*	*			trans	98.1	102.7	134.1	-68.9	166	0	0	0	120.8
115	N	30.6	Very low	43.9	Very low	141 Å²	141	140.8 Å²	140.8	75%	0.754	73%	0.727	S	S	*	*			trans	55.6	117.2	136.7	-56.1	-0.2	0	0	0	123.4
116	K	34.7	Very low	42.4	Very low	198 Å²	198	143.3 Å²	143.3	86%	0.861	74%	0.735	S	S	*	*				-162.1	96.8	121.9	-150	172.9	-176.2	178	0	116.6
117	W	36.1	Very low	41.1	Very low	219 Å²	219	147.7 Å²	147.7	83%	0.83	75%	0.752	S	S	*	*			trans	47.2	145.8	141.4	-68.5	87.6	0	0	0	125.7
118	N	37.3	Very low	39.9	Very low	127 Å²	127	144.2 Å²	144.2	68%	0.679	75%	0.748	S	S	*	*			trans	75.1	141.1	160.9	-79.9	40	0	0	0	119
119	L	35.6	Very low	39.1	Very low	124 Å²	124	146.9 Å²	146.9	65%	0.649	76%	0.756	S	S	*	*			cis	-162.5	165.9	-13.4	-159.8	68.9	0	0	0	108.9
120	E	38.3	Very low	38.2	Very low	158 Å²	158	151 Å²	151	74%	0.738	77%	0.765	S	S	*	*			trans	66.1	131.2	169.8	-64.8	155.6	-155.7	0	0	115.2
121	D	40.1	Very low	37.9	Very low	142 Å²	142	149.7 Å²	149.7	76%	0.759	77%	0.766	S	S	*	*			cis	-153.7	178	-2.7	-95.4	-21.9	0	0	0	110.4
122	D	42.2	Very low	37.8	Very low	161 Å²	161	153 Å²	153	86%	0.861	77%	0.769	S	S	*	*			trans	72.6	88.8	167.8	-64.5	-18.1	0	0	0	119.2
123	E	38	Very low	37.9	Very low	191 Å²	191	154.1 Å²	154.1	89%	0.893	77%	0.769	S	S	*	*			trans	-55.6	161.4	153.8	-62.2	153.3	157.2	0	0	111.1
124	D	42.4	Very low	38	Very low	147 Å²	147	155.9 Å²	155.9	79%	0.786	77%	0.769	S	S	*	*			cis	-124.2	-158.9	22.4	-126.9	-34.4	0	0	0	110.9
125	E	43.4	Very low	37.8	Very low	182 Å²	182	157.3 Å²	157.3	85%	0.85	78%	0.775	S	S	*	*			cis	-146.4	176	13.7	-155.6	179.7	-162.6	0	0	110
126	E	41	Very low	38	Very low	171 Å²	171	159.7 Å²	159.7	80%	0.799	78%	0.781	S	S	*	*			trans	-90	178.4	-171.6	-51.5	-176	125.1	0	0	113.3
127	D	41.5	Very low	38	Very low	140 Å²	140	160.1 Å²	160.1	75%	0.749	78%	0.783	S	S	*	*			cis	-157.9	164.1	15.7	-167.1	15.1	0	0	0	113.5
128	A	40.9	Very low	38.1	Very low	76 Å²	76	154.8 Å²	154.8	63%	0.628	78%	0.777	S	S	*	*			trans	45.1	138	149.7	0	0	0	0	0	121.9
129	N	38.8	Very low	37.9	Very low	146 Å²	146	154.4 Å²	154.4	78%	0.781	78%	0.779	S	S	*	*			cis	-155.9	162.9	5.1	-148.1	-29.5	0	0	0	111.9
130	K	34.4	Very low	37.8	Very low	184 Å²	184	156.8 Å²	156.8	80%	0.8	79%	0.787	S	S	*	*			trans	-135	151.1	175.3	-71	175.8	179.3	168.3	0	111.1
131	K	37.6	Very low	37.8	Very low	200 Å²	200	157 Å²	157	87%	0.87	79%	0.793	S	S	*	*			trans	175.9	165.3	135.6	-92.6	142	-164.8	167.4	0	111.7
132	N	35.3	Very low	37.8	Very low	134 Å²	134	157.3 Å²	157.3	72%	0.717	80%	0.795	S	S	*	*			cis	173.2	166.2	-35.5	-169.2	20.9	0	0	0	108.4
133	I	39.5	Very low	38.1	Very low	136 Å²	136	158.1 Å²	158.1	70%	0.697	80%	0.799	S	S	*	*			trans	71.3	138.8	168.2	-54.2	178.1	0	0	0	114.4
134	Q	35.4	Very low	38.9	Very low	156 Å²	156	152.5 Å²	152.5	73%	0.729	78%	0.778	S	S	*	*			cis	-143.6	167.8	-18	-121.9	176.6	-109.9	0	0	106.3
135	M	30.8	Very low	39.9	Very low	171 Å²	171	150.1 Å²	150.1	84%	0.842	77%	0.765	S	S	*	*			cis	79.6	88.2	19.2	-87.6	-175.5	169	0	0	118.1
136	E	34.9	Very low	40.8	Very low	190 Å²	190	146.7 Å²	146.7	89%	0.888	76%	0.759	S	S	*	*			trans	-128.5	179.4	144.8	-73.7	-154.2	133.8	0	0	109.8
137	K	35.4	Very low	42	Very low	207 Å²	207	143.7 Å²	143.7	90%	0.9	75%	0.748	S	S	*	*			trans	-135.1	176.5	-147.4	-104.8	-153.3	161.2	-173	0	115.8
138	P	36.6	Very low	43.4	Very low	107 Å²	107	141.2 Å²	141.2	70%	0.695	73%	0.734	S	S	*	*			trans	-123.6	175.7	-141.1	45.9	-35.7	0	0	0	117.1
139	T	33.3	Very low	44.8	Very low	120 Å²	120	140.1 Å²	140.1	74%	0.736	73%	0.725	S	S	*	*			trans	-139.4	124.1	150.8	44	0	0	0	0	106.2
140	E	34.5	Very low	46	Very low	174 Å²	174	136 Å²	136	81%	0.813	70%	0.699	S	S	*	*				57.1	92.5	96.6	-65.5	-177.1	161.7	0	0	113
141	D	37.1	Very low	47.7	Very low	161 Å²	161	132.4 Å²	132.4	86%	0.861	69%	0.687	S	S	*	*				-172.6	164.5	124.5	-90.3	-19.4	0	0	0	109.7
142	D	40.7	Very low	49.1	Very low	149 Å²	149	128.5 Å²	128.5	80%	0.797	67%	0.671	S	S	*	*			trans	-63.3	138.3	-163.1	-64.8	-62.2	0	0	0	116.1	V144	D142-V144 VanDerWaalsContact C-N 3.33Å; D142-V144 WeakPolarHBondContact O-CG2 3.49Å; D142-V144 PolarHBondContact O-N 3.32Å
143	D	49.2	Very low	50.6	Low	178 Å²	178	128.2 Å²	128.2	95%	0.952	67%	0.666	S	S	*	*			trans	-71.7	85	170.7	-91.1	-47.3	0	0	0	111.3
144	V	54.6	Low	51.5	Low	74 Å²	74	124.8 Å²	124.8	45%	0.448	65%	0.649	S	S	.	*			trans	-28.7	138.3	173.2	-175.3	0	0	0	0	116	D142 D148 A149	D142-V144 VanDerWaalsContact C-N 3.33Å; D142-V144 WeakPolarHBondContact O-CG2 3.49Å; D142-V144 PolarHBondContact O-N 3.32Å; V144-D148 HydrophobicContact CG1-CB 3.37Å; V144-A149 HydrophobicContact CG1-CB 4.48Å
145	D	63.8	Low	52.3	Low	96 Å²	96	122.9 Å²	122.9	51%	0.513	64%	0.643	S	S	.	*			trans	-58	139	174.1	-169.6	-61.8	0	0	0	111.3	L147 D148 A149	D145-L147 PolarHBondContact O-N 3.45Å; D145-L147 VanDerWaalsContact OD1-CB 3.27Å; D145-L147 WeakPolarHBondContact OD1-CB 3.36Å; D145-L147 PolarHBondContact OD1-N 3.43Å; D145-D148 HydrophobicContact CB-CB 4.43Å; D145-D148 PolarHBondContact O-N 2.84Å; D145-A149 PolarHBondContact O-N 3.41Å
146	P	62.9	Low	53.5	Low	110 Å²	110	121 Å²	121	71%	0.714	64%	0.637	S	S	*	*	H	α-helix	trans	-51.3	-24.9	173.6	-29.4	36.2	0	0	0	115.5	Y150	P146-Y150 PolarHBondContact O-N 2.97Å
147	L	64.2	Low	54.2	Low	109 Å²	109	119.1 Å²	119.1	57%	0.571	63%	0.628	S	S	*	*	H	α-helix	trans	-73	-44.6	172.6	-165.3	72	0	0	0	111.9	D145 Y150 M151	D145-L147 PolarHBondContact O-N 3.45Å; D145-L147 VanDerWaalsContact OD1-CB 3.27Å; D145-L147 WeakPolarHBondContact OD1-CB 3.36Å; D145-L147 PolarHBondContact OD1-N 3.43Å; L147-Y150 WeakPolarHBondContact O-CB 3.46Å; L147-Y150 PolarHBondContact O-N 3.48Å; L147-Y150 VanDerWaalsContact O-N 3.17Å; L147-M151 VanDerWaalsContact O-CG 3.29Å; L147-M151 WeakPolarHBondContact O-CG 3.49Å; L147-M151 PolarHBondContact O-N 3.42Å
148	D	71.3	Confident	55	Low	88 Å²	88	115 Å²	115	47%	0.471	62%	0.62	S	S	.	*	H	α-helix	trans	-67.4	-39.3	179.5	-79.5	-28.3	0	0	0	111.8	V144 D145 Y150 M151 Q152	V144-D148 HydrophobicContact CG1-CB 3.37Å; D145-D148 HydrophobicContact CB-CB 4.43Å; D145-D148 PolarHBondContact O-N 2.84Å; D148-Y150 PolarHBondContact O-N 3.01Å; D148-M151 PolarHBondContact O-N 3.06Å; D148-M151 VanDerWaalsContact O-N 3.15Å; D148-Q152 WeakPolarHBondContact O-CG 3.26Å; D148-Q152 PolarHBondContact O-N 3.07Å
149	A	70.8	Confident	55.3	Low	53 Å²	53	114.8 Å²	114.8	44%	0.438	62%	0.621	S	S	.	*	H	α-helix	trans	-57.9	-39.1	171.7	0	0	0	0	0	111.6	V144 D145 E153	V144-A149 HydrophobicContact CG1-CB 4.48Å; D145-A149 PolarHBondContact O-N 3.41Å; A149-E153 PolarHBondContact O-N 3.35Å
150	Y	64.6	Low	55.5	Low	60 Å²	60	113.6 Å²	113.6	24%	0.235	62%	0.623	C	S	.	*	H	α-helix	trans	-72.1	-35.9	175.6	179	-117.4	0	0	0	113.1	P146 L147 D148 E153 L154 R210	P146-Y150 PolarHBondContact O-N 2.97Å; L147-Y150 WeakPolarHBondContact O-CB 3.46Å; L147-Y150 PolarHBondContact O-N 3.48Å; L147-Y150 VanDerWaalsContact O-N 3.17Å; D148-Y150 PolarHBondContact O-N 3.01Å; Y150-E153 PolarHBondContact O-N 3.48Å; Y150-L154 HydrophobicContact CD1-CD1 4.48Å; Y150-L154 HydrophobicContact CE1-CD1 3.73Å; Y150-L154 HydrophobicContact CE1-CG 4.35Å; Y150-L154 HydrophobicContact CE2-CD1 4.41Å; Y150-L154 HydrophobicContact CE2-CG 4.14Å; Y150-L154 PolarHBondContact O-N 3.09Å; Y150-L154 VanDerWaalsContact O-N 3.16Å; Y150-L154 WeakPolarHBondContact OH-CD1 3.32Å; Y150-R210 VanDerWaalsContact CE2-CZ 3.44Å; Y150-R210 WeakPolarHBondContact OH-CD 3.44Å; Y150-R210 WeakPolarHBondContact OH-CG 3.3Å; Y150-R210 PolarHBondContact OH-NE 2.9Å
151	M	69.3	Low	55.7	Low	108 Å²	108	108.9 Å²	108.9	53%	0.532	62%	0.622	S	S	.	*	H	α-helix	trans	-66.5	-38.8	175.2	-69.7	-72.7	-78	0	0	112.1	L147 D148 L154 N155	L147-M151 VanDerWaalsContact O-CG 3.29Å; L147-M151 WeakPolarHBondContact O-CG 3.49Å; L147-M151 PolarHBondContact O-N 3.42Å; D148-M151 PolarHBondContact O-N 3.06Å; D148-M151 VanDerWaalsContact O-N 3.15Å; M151-L154 PolarHBondContact O-N 2.81Å; M151-N155 PolarHBondContact O-N 3.39Å
152	Q	68.1	Low	55.7	Low	117 Å²	117	107.2 Å²	107.2	55%	0.547	62%	0.619	S	S	.	*	H	α-helix	trans	-63.9	-41.1	175	-71.4	-176	18.2	0	0	112.2	D148 L154 N155 N156	D148-Q152 WeakPolarHBondContact O-CG 3.26Å; D148-Q152 PolarHBondContact O-N 3.07Å; Q152-L154 VanDerWaalsContact C-N 3.34Å; Q152-L154 PolarHBondContact O-N 2.85Å; Q152-N155 PolarHBondContact O-N 3.25Å; Q152-N156 PolarHBondContact O-N 3.03Å; Q152-N156 VanDerWaalsContact O-N 3.12Å; Q152-N156 PolarHBondContact O-ND2 2.67Å
153	E	64.9	Low	55.4	Low	128 Å²	128	109.6 Å²	109.6	60%	0.598	63%	0.626	S	S	*	*	H	α-helix	trans	-69.6	-29.5	177.4	-173	157.6	-150.3	0	0	113.1	A149 Y150	A149-E153 PolarHBondContact O-N 3.35Å; Y150-E153 PolarHBondContact O-N 3.48Å
154	L	58.9	Low	54.5	Low	65 Å²	65	107 Å²	107	34%	0.34	62%	0.616	S	S	.	*	H	α-helix	trans	-66.5	-48.6	168.6	-82.7	176	0	0	0	112.2	Y150 M151 Q152 N156 Q157	Y150-L154 HydrophobicContact CD1-CD1 4.48Å; Y150-L154 HydrophobicContact CE1-CD1 3.73Å; Y150-L154 HydrophobicContact CE1-CG 4.35Å; Y150-L154 HydrophobicContact CE2-CD1 4.41Å; Y150-L154 HydrophobicContact CE2-CG 4.14Å; Y150-L154 PolarHBondContact O-N 3.09Å; Y150-L154 VanDerWaalsContact O-N 3.16Å; Y150-L154 WeakPolarHBondContact OH-CD1 3.32Å; M151-L154 PolarHBondContact O-N 2.81Å; Q152-L154 VanDerWaalsContact C-N 3.34Å; Q152-L154 PolarHBondContact O-N 2.85Å; L154-N156 VanDerWaalsContact C-N 3.29Å; L154-N156 PolarHBondContact O-N 2.83Å; L154-Q157 PolarHBondContact O-N 2.81Å; L154-Q157 VanDerWaalsContact O-N 3.11Å
155	N	53.5	Low	53.5	Low	116 Å²	116	108.5 Å²	108.5	62%	0.62	63%	0.626	S	S	*	*	H	α-helix	trans	-63	-35.7	-176	-114.4	-5.1	0	0	0	112.7	M151 Q152 Q157 V158	M151-N155 PolarHBondContact O-N 3.39Å; Q152-N155 PolarHBondContact O-N 3.25Å; N155-Q157 PolarHBondContact O-N 3.27Å; N155-V158 PolarHBondContact O-N 2.91Å
156	N	55.4	Low	52.2	Low	132 Å²	132	112.4 Å²	112.4	71%	0.706	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	-16.6	177.2	-77.4	-26.8	0	0	0	114.1	Q152 L154	Q152-N156 PolarHBondContact O-N 3.03Å; Q152-N156 VanDerWaalsContact O-N 3.12Å; Q152-N156 PolarHBondContact O-ND2 2.67Å; L154-N156 VanDerWaalsContact C-N 3.29Å; L154-N156 PolarHBondContact O-N 2.83Å
157	Q	50.3	Low	50.9	Low	149 Å²	149	115.7 Å²	115.7	70%	0.696	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	-6	-179.8	-67	-175.9	32.7	0	0	114.4	L154 N155	L154-Q157 PolarHBondContact O-N 2.81Å; L154-Q157 VanDerWaalsContact O-N 3.11Å; N155-Q157 PolarHBondContact O-N 3.27Å
158	V	51.7	Low	49.5	Very low	121 Å²	121	115.8 Å²	115.8	73%	0.733	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.1	-18.8	-174.9	-175.4	0	0	0	0	113.1	N155	N155-V158 PolarHBondContact O-N 2.91Å
159	S	42	Very low	47.8	Very low	102 Å²	102	117.4 Å²	117.4	71%	0.713	66%	0.656	S	S	*	*			trans	-113.3	47.4	-162.3	-57.3	0	0	0	0	115.4
160	A	38.6	Very low	46.2	Very low	96 Å²	96	123 Å²	123	79%	0.793	67%	0.67	S	S	*	*			trans	-141.4	85	175.7	0	0	0	0	0	113.1
161	G	37.5	Very low	44.9	Very low	75 Å²	75	127.3 Å²	127.3	77%	0.773	70%	0.696	S	S	*	*			trans	-77.7	161.5	172.5	0	0	0	0	0	113.6
162	P	37	Very low	43.4	Very low	125 Å²	125	127 Å²	127	81%	0.812	70%	0.7	S	S	*	*			trans	-110.3	146.2	-158.1	38.5	-31.3	0	0	0	115.8
163	E	34.8	Very low	41.9	Very low	199 Å²	199	129.8 Å²	129.8	93%	0.93	71%	0.71	S	S	*	*			trans	-137.7	174.9	155.9	-79	-142.4	140.5	0	0	111.8
164	T	30.3	Very low	40.7	Very low	124 Å²	124	131.1 Å²	131.1	76%	0.761	72%	0.717	S	S	*	*			trans	-125.3	151.5	-153.6	63.5	0	0	0	0	114.5
165	T	34.6	Very low	39.6	Very low	106 Å²	106	132.9 Å²	132.9	65%	0.65	74%	0.735	S	S	*	*				165.4	134.8	114.4	39.8	0	0	0	0	117.3
166	K	35.6	Very low	38.8	Very low	178 Å²	178	134.8 Å²	134.8	77%	0.774	74%	0.739	S	S	*	*			trans	70.4	125	130.7	-70.9	168.9	-172.1	162.7	0	123.9
167	K	34.8	Very low	38	Very low	178 Å²	178	135.9 Å²	135.9	77%	0.774	74%	0.742	S	S	*	*			trans	76.3	156.3	138.8	-67	-168.2	162.8	-161.4	0	120.3
168	D	36.2	Very low	37.4	Very low	111 Å²	111	133.5 Å²	133.5	59%	0.594	74%	0.742	S	S	*	*			cis	-166.7	124.5	-23.7	-100.6	-18.6	0	0	0	111.1
169	T	35.1	Very low	36.7	Very low	122 Å²	122	135.2 Å²	135.2	75%	0.748	75%	0.746	S	S	*	*			trans	65.3	166	152.9	71.3	0	0	0	0	119.1
170	K	37	Very low	36.5	Very low	172 Å²	172	139 Å²	139	75%	0.748	75%	0.75	S	S	*	*			cis	-165	168.5	6.2	-134.7	163.1	-171.5	173	0	112.4
171	I	37.9	Very low	36.2	Very low	149 Å²	149	139.9 Å²	139.9	76%	0.764	75%	0.746	S	S	*	*			trans	79.7	141.3	149.4	-79.6	158.1	0	0	0	120.4
172	T	36.7	Very low	36.2	Very low	103 Å²	103	141 Å²	141	63%	0.632	74%	0.742	S	S	*	*			cis	179.9	148.9	-31.3	-101.1	0	0	0	0	113.2
173	K	37.3	Very low	36.2	Very low	174 Å²	174	143.1 Å²	143.1	76%	0.757	74%	0.738	S	S	*	*			trans	75	158.4	162.2	-83.9	164.1	-166.2	178	0	119
174	Q	38.8	Very low	36.3	Very low	157 Å²	157	138.7 Å²	138.7	73%	0.734	72%	0.721	S	S	*	*			cis	-152.9	142.9	10.3	-142.4	151.7	-41.1	0	0	115.1
175	S	36.9	Very low	36.7	Very low	102 Å²	102	139 Å²	139	71%	0.713	72%	0.722	S	S	*	*			trans	44.8	153.5	146.4	61.2	0	0	0	0	122.8
176	E	36.8	Very low	36.7	Very low	155 Å²	155	140 Å²	140	72%	0.724	72%	0.724	S	S	*	*			cis	-139.1	139.7	22.6	-69.2	-176.1	122.7	0	0	112.4
177	M	38.3	Very low	37	Very low	155 Å²	155	139.9 Å²	139.9	76%	0.764	73%	0.726	S	S	*	*				58.9	145.6	104.1	-56.5	-165.5	-71.8	0	0	117.7
178	S	37.7	Very low	37.2	Very low	99 Å²	99	135 Å²	135	69%	0.692	72%	0.719	S	S	*	*			cis	-174.1	170.5	-15	-83.4	0	0	0	0	106.5
179	L	37.6	Very low	37.4	Very low	157 Å²	157	135.4 Å²	135.4	82%	0.822	73%	0.73	S	S	*	*			cis	-128	-170.6	7.9	-82.9	95.3	0	0	0	108.9
180	K	36.2	Very low	37.6	Very low	181 Å²	181	134.7 Å²	134.7	79%	0.787	73%	0.731	S	S	*	*			cis	78.1	133.5	20.4	-63.6	-166.3	176.4	-177.6	0	117.1
181	T	34	Very low	38	Very low	115 Å²	115	133.6 Å²	133.6	71%	0.706	73%	0.733	S	S	*	*			cis	-167.4	143.8	-5.4	11.5	0	0	0	0	114.5
182	S	36	Very low	38.5	Very low	99 Å²	99	131 Å²	131	69%	0.692	73%	0.725	S	S	*	*			trans	69.9	152	132.6	76.2	0	0	0	0	125.7
183	K	37.2	Very low	38.6	Very low	170 Å²	170	130.9 Å²	130.9	74%	0.739	73%	0.729	S	S	*	*			trans	75.3	152	158.7	-65.6	-175.1	154.2	-70.3	0	117.6
184	D	38.2	Very low	38.7	Very low	106 Å²	106	128.9 Å²	128.9	57%	0.567	73%	0.731	S	S	*	*			cis	-167.3	162.4	-15.2	-97	-15.1	0	0	0	108.5
185	T	37.4	Very low	38.8	Very low	129 Å²	129	130.7 Å²	130.7	79%	0.791	74%	0.737	S	S	*	*			trans	61	160.6	156.8	49.2	0	0	0	0	119.7
186	D	35.1	Very low	38.9	Very low	128 Å²	128	131.1 Å²	131.1	68%	0.684	74%	0.737	S	S	*	*			cis	-164.1	172.8	-38.7	-126.8	-43.6	0	0	0	110.5
187	H	41.5	Very low	38.9	Very low	175 Å²	175	133.8 Å²	133.8	81%	0.81	75%	0.746	S	S	*	*			trans	68.3	156.6	161.1	-66	-20.3	0	0	0	120.8
188	A	38.7	Very low	38.8	Very low	77 Å²	77	134.9 Å²	134.9	64%	0.636	75%	0.749	S	S	*	*			cis	-172.4	170	-24.7	0	0	0	0	0	111.8
189	S	40.7	Very low	38.7	Very low	118 Å²	118	138.6 Å²	138.6	83%	0.825	76%	0.756	S	S	*	*			trans	69.6	150.2	161.7	72.3	0	0	0	0	117.9
190	S	38.9	Very low	38.6	Very low	108 Å²	108	138.2 Å²	138.2	76%	0.755	75%	0.754	S	S	*	*			cis	-172.3	155.7	-6.6	37.5	0	0	0	0	110.2
191	D	45.4	Very low	38.4	Very low	149 Å²	149	135.8 Å²	135.8	80%	0.797	75%	0.754	S	S	*	*			cis	-158.3	-146.8	-24.8	-156.3	20.2	0	0	0	108.9
192	P	48.2	Very low	38.5	Very low	93 Å²	93	137.8 Å²	137.8	60%	0.604	76%	0.759	S	S	*	*				-136.2	172.5	-129	45.1	-25	0	0	0	119.9
193	S	39.2	Very low	38.2	Very low	102 Å²	102	142 Å²	142	71%	0.713	77%	0.765	S	S	*	*			trans	87	135.8	137.3	79.4	0	0	0	0	123.4
194	V	40.2	Very low	37.9	Very low	132 Å²	132	145.4 Å²	145.4	80%	0.8	77%	0.773	S	S	*	*				176.8	93.2	124.9	155	0	0	0	0	105.4
195	K	40.5	Very low	37.6	Very low	194 Å²	194	149.7 Å²	149.7	84%	0.843	79%	0.786	S	S	*	*				84.4	148.7	87.5	-83.1	-167.4	174.4	178.8	0	115
196	P	39.5	Very low	37.4	Very low	112 Å²	112	154.7 Å²	154.7	73%	0.727	79%	0.791	S	S	*	*			trans	-133.7	-172.2	-136.5	44.4	-29.2	0	0	0	115.8
197	K	37.2	Very low	37.6	Very low	210 Å²	210	156.1 Å²	156.1	91%	0.913	80%	0.797	S	S	*	*			trans	-156.8	167.4	150.4	-109.6	162.3	-173.8	-178.5	0	112.2
198	Q	34.5	Very low	37.2	Very low	178 Å²	178	155.8 Å²	155.8	83%	0.832	80%	0.799	S	S	*	*			trans	-142.4	144.7	-165.5	-55.8	166.4	-64.8	0	0	112.9
199	Q	37.5	Very low	37.1	Very low	178 Å²	178	155.5 Å²	155.5	83%	0.832	80%	0.804	S	S	*	*			trans	-177.1	134.1	143.1	-98.6	157.7	-29.2	0	0	106.4
200	L	33.7	Very low	36.7	Very low	149 Å²	149	158.5 Å²	158.5	78%	0.78	80%	0.797	S	S	*	*				74.9	123.5	55	-68.7	168.1	0	0	0	112.6
201	V	32.7	Very low	36.3	Very low	129 Å²	129	156.6 Å²	156.6	78%	0.782	79%	0.794	S	S	*	*			cis	-117.2	-117.2	-8	-155.4	0	0	0	0	110.7
202	I	36.3	Very low	35.9	Very low	157 Å²	157	158.8 Å²	158.8	81%	0.805	80%	0.8	S	S	*	*			cis	-130.3	163.7	-14.9	-64	171.2	0	0	0	106.9
203	K	30.6	Very low	35.3	Very low	189 Å²	189	161.9 Å²	161.9	82%	0.822	81%	0.81	S	S	*	*			trans	-93.7	147	176	-60.7	170.9	-178.2	169.3	0	112.9
204	R	30.4	Very low	35.2	Very low	240 Å²	240	165.4 Å²	165.4	91%	0.906	82%	0.818	S	S	*	*				-161.6	138.2	126.1	-107.3	155.4	-174.9	177	2.8	112.1
205	K	31	Very low	35.1	Very low	197 Å²	197	167.1 Å²	167.1	86%	0.857	82%	0.817	S	S	*	*			trans	-124.8	122	176	179.2	-178.8	-178	-178.7	0	106.5
206	R	33.5	Very low	34.8	Very low	234 Å²	234	162.8 Å²	162.8	88%	0.883	81%	0.811	S	S	*	*			trans	-112.7	152.9	167.9	-72.2	-164.4	-174.4	-172.6	6	109.9
207	I	38.5	Very low	34.6	Very low	157 Å²	157	165.8 Å²	165.8	81%	0.805	82%	0.821	S	S	*	*			trans	-102.3	153.3	-174.1	-67.3	164	0	0	0	108	G209	I207-G209 PolarHBondContact O-N 3.19Å
208	I	34.5	Very low	34.8	Very low	169 Å²	169	162.6 Å²	162.6	87%	0.867	81%	0.813	S	S	*	*			trans	-68.2	120.4	179.2	-64.5	159.7	0	0	0	109.2
209	G	35.6	Very low	34.9	Very low	71 Å²	71	161.5 Å²	161.5	73%	0.732	81%	0.812	S	S	*	*			trans	-113.8	156.1	165.6	0	0	0	0	0	109.8	I207	I207-G209 PolarHBondContact O-N 3.19Å
210	R	32.2	Very low	35.1	Very low	180 Å²	180	161.7 Å²	161.7	68%	0.679	81%	0.813	S	S	*	*			trans	-129.4	105.8	-164.2	179.5	178.3	170.4	-164.8	-7.8	112.1	Y150	Y150-R210 VanDerWaalsContact CE2-CZ 3.44Å; Y150-R210 WeakPolarHBondContact OH-CD 3.44Å; Y150-R210 WeakPolarHBondContact OH-CG 3.3Å; Y150-R210 PolarHBondContact OH-NE 2.9Å
211	G	32.1	Very low	35.2	Very low	68 Å²	68	162.5 Å²	162.5	70%	0.701	82%	0.818	S	S	*	*			trans	77.8	120.6	159.4	0	0	0	0	0	116.1
212	E	36.1	Very low	35.7	Very low	196 Å²	196	164.3 Å²	164.3	92%	0.916	82%	0.817	S	S	*	*			trans	-150.2	146.6	154	-136.2	163.8	-146.1	0	0	107.6
213	L	36.5	Very low	35.7	Very low	157 Å²	157	166.6 Å²	166.6	82%	0.822	82%	0.817	S	S	*	*			trans	-118.6	122.4	-176.7	-167	83.9	0	0	0	108
214	M	36.9	Very low	36.1	Very low	177 Å²	177	163.2 Å²	163.2	87%	0.872	82%	0.818	S	S	*	*			trans	-118.4	124.1	171.8	-79.6	-175	66.1	0	0	110.5
215	E	38	Very low	36.3	Very low	167 Å²	167	156.8 Å²	156.8	78%	0.78	81%	0.809	S	S	*	*			trans	-82.1	154.1	164.2	-62.1	-167.2	122.1	0	0	110.8
216	S	32.9	Very low	36.5	Very low	104 Å²	104	156.5 Å²	156.5	73%	0.727	81%	0.811	S	S	*	*			trans	28.1	100.6	159.5	61.1	0	0	0	0	118.4
217	N	35.7	Very low	36.9	Very low	174 Å²	174	154.7 Å²	154.7	93%	0.93	81%	0.813	S	S	*	*				-135.9	152.6	119.1	-104.4	-20.5	0	0	0	109.5
218	I	42.7	Very low	37.1	Very low	144 Å²	144	156.1 Å²	156.1	74%	0.738	82%	0.816	S	S	*	*			trans	-112.7	158.4	175.9	-150.6	164.2	0	0	0	107.6
219	D	34.9	Very low	37.4	Very low	154 Å²	154	155.9 Å²	155.9	82%	0.824	82%	0.816	S	S	*	*	S	Bend	trans	67.2	42.8	173.3	-51.1	-22.5	0	0	0	118
220	E	42	Very low	37.9	Very low	183 Å²	183	157.9 Å²	157.9	86%	0.855	82%	0.815	S	S	*	*			trans	-149.6	89.1	161.5	-159.5	170.2	-141.2	0	0	114
221	L	36.7	Very low	38.9	Very low	166 Å²	166	153.2 Å²	153.2	87%	0.869	81%	0.806	S	S	*	*			trans	-170.9	77.8	141	-130.6	97.3	0	0	0	111.8
222	E	41.7	Very low	40	Very low	166 Å²	166	156.8 Å²	156.8	78%	0.776	81%	0.808	S	S	*	*			trans	-82	152.1	160.8	-72.5	-165.5	151.1	0	0	110.9
223	Y	38.2	Very low	41.3	Very low	205 Å²	205	154.8 Å²	154.8	80%	0.804	80%	0.799	S	S	*	*			trans	42.3	100	167	-59.4	-70.6	0	0	0	119.4
224	S	38	Very low	42.6	Very low	119 Å²	119	151.6 Å²	151.6	83%	0.832	78%	0.782	S	S	*	*			trans	-127.5	76.5	153.9	177	0	0	0	0	109.9	E226	S224-E226 PolarHBondContact O-N 3.4Å
225	S	34.7	Very low	43.3	Very low	104 Å²	104	145.1 Å²	145.1	73%	0.727	76%	0.757	S	S	*	*			trans	-85.8	100.3	175.7	54.6	0	0	0	0	111.4
226	E	34.6	Very low	44	Very low	191 Å²	191	141 Å²	141	89%	0.893	74%	0.74	S	S	*	*			trans	-174.9	69.3	163.8	-111.8	171.9	-134.5	0	0	112	S224	S224-E226 PolarHBondContact O-N 3.4Å
227	E	43.4	Very low	44.9	Very low	197 Å²	197	137.5 Å²	137.5	92%	0.921	72%	0.717	S	S	*	*			trans	-139.2	142.3	151.9	-74.8	-160.5	158.5	0	0	108.9
228	E	41.8	Very low	45.5	Very low	186 Å²	186	133.8 Å²	133.8	87%	0.869	69%	0.694	S	S	*	*			trans	-91.3	136.9	-153.5	-60.4	167.8	130	0	0	114.8	T230	E228-T230 PolarHBondContact O-N 3.19Å
229	D	41.5	Very low	45.6	Very low	164 Å²	164	131.9 Å²	131.9	88%	0.877	69%	0.685	S	S	*	*			trans	25.8	69.4	156.5	-65.1	-10.8	0	0	0	119
230	T	45.2	Very low	46	Very low	114 Å²	114	128.5 Å²	128.5	70%	0.699	66%	0.664	S	S	*	*			trans	-84.7	108.8	151.2	57.7	0	0	0	0	110	E228	E228-T230 PolarHBondContact O-N 3.19Å
231	T	53.8	Low	46.1	Very low	81 Å²	81	126.1 Å²	126.1	50%	0.497	65%	0.651	S	S	.	*			trans	-52.1	139.2	178.5	-45.2	0	0	0	0	111.9	E233 D234 A235	T231-E233 HydrophobicContact CG2-CB 4.2Å; T231-E233 HydrophobicContact CG2-CG 4.31Å; T231-E233 PolarHBondContact O-N 2.69Å; T231-E233 VanDerWaalsContact O-N 3.17Å; T231-D234 PolarHBondContact O-N 2.97Å; T231-A235 PolarHBondContact O-N 3.3Å; T231-A235 VanDerWaalsContact O-N 3.11Å
232	I	54.7	Low	46.4	Very low	143 Å²	143	124.3 Å²	124.3	73%	0.733	64%	0.636	S	S	*	*	H	α-helix	trans	-55	-37.3	179.7	-60.7	174.4	0	0	0	111.2	D234 A235 L236	I232-D234 VanDerWaalsContact C-N 3.34Å; I232-D234 PolarHBondContact O-N 3.26Å; I232-A235 PolarHBondContact O-N 3.41Å; I232-L236 WeakPolarHBondContact O-CB 3.38Å; I232-L236 PolarHBondContact O-N 3.47Å
233	E	62.5	Low	46.8	Very low	155 Å²	155	123.1 Å²	123.1	72%	0.724	64%	0.636	S	S	*	*	H	α-helix	trans	-60.2	-39.4	174.8	-61	-175.8	123.7	0	0	113.2	T231 L236 A237	T231-E233 HydrophobicContact CG2-CB 4.2Å; T231-E233 HydrophobicContact CG2-CG 4.31Å; T231-E233 PolarHBondContact O-N 2.69Å; T231-E233 VanDerWaalsContact O-N 3.17Å; E233-L236 PolarHBondContact O-N 2.94Å; E233-A237 VanDerWaalsContact O-CB 3.27Å; E233-A237 WeakPolarHBondContact O-CB 3.26Å; E233-A237 PolarHBondContact O-N 3.45Å
234	D	64.6	Low	47.9	Very low	89 Å²	89	119.8 Å²	119.8	48%	0.476	63%	0.625	S	S	.	*	H	α-helix	trans	-74.8	-36.5	-179.2	-133.5	-16.6	0	0	0	110.6	T231 I232 A237 Q238	T231-D234 PolarHBondContact O-N 2.97Å; I232-D234 VanDerWaalsContact C-N 3.34Å; I232-D234 PolarHBondContact O-N 3.26Å; D234-A237 PolarHBondContact O-N 2.82Å; D234-Q238 WeakPolarHBondContact O-CB 3.43Å; D234-Q238 VanDerWaalsContact O-CG 3.27Å; D234-Q238 WeakPolarHBondContact O-CG 3.38Å; D234-Q238 PolarHBondContact O-N 2.98Å
235	A	52.2	Low	49.4	Very low	42 Å²	42	115.6 Å²	115.6	35%	0.347	59%	0.593	S	S	.	*	H	α-helix	trans	-61.4	-43.4	168.4	0	0	0	0	0	111.7	T231 I232 Q238 L239	T231-A235 PolarHBondContact O-N 3.3Å; T231-A235 VanDerWaalsContact O-N 3.11Å; I232-A235 PolarHBondContact O-N 3.41Å; A235-Q238 PolarHBondContact O-N 3.02Å; A235-L239 WeakPolarHBondContact O-CG 3.37Å; A235-L239 PolarHBondContact O-N 2.84Å
236	L	53.1	Low	51.2	Low	80 Å²	80	117 Å²	117	42%	0.419	59%	0.589	S	S	.	*	H	α-helix	trans	-66	-42.4	177	-150.2	80.7	0	0	0	111.6	I232 E233 L239 Q240	I232-L236 WeakPolarHBondContact O-CB 3.38Å; I232-L236 PolarHBondContact O-N 3.47Å; E233-L236 PolarHBondContact O-N 2.94Å; L236-L239 WeakPolarHBondContact O-CB 3.35Å; L236-L239 PolarHBondContact O-N 2.8Å; L236-Q240 WeakPolarHBondContact O-CG 3.21Å; L236-Q240 PolarHBondContact O-N 2.67Å
237	A	51.2	Low	53.3	Low	31 Å²	31	113.3 Å²	113.3	26%	0.256	58%	0.581	S	S	.	*	H	α-helix	trans	-65.9	-37.8	176.6	0	0	0	0	0	111.7	E233 D234 K241	E233-A237 VanDerWaalsContact O-CB 3.27Å; E233-A237 WeakPolarHBondContact O-CB 3.26Å; E233-A237 PolarHBondContact O-N 3.45Å; D234-A237 PolarHBondContact O-N 2.82Å; A237-K241 VanDerWaalsContact O-CB 3.31Å; A237-K241 WeakPolarHBondContact O-CB 3.46Å; A237-K241 WeakPolarHBondContact O-CD 3.44Å; A237-K241 WeakPolarHBondContact O-CG 3.4Å; A237-K241 PolarHBondContact O-N 3.08Å
238	Q	47.4	Very low	55.2	Low	95 Å²	95	106.1 Å²	106.1	44%	0.444	55%	0.548	S	S	.	.	H	α-helix	trans	-66	-38.4	171.8	-75.6	-176.2	43	0	0	112.3	D234 A235 K241 K242	D234-Q238 WeakPolarHBondContact O-CB 3.43Å; D234-Q238 VanDerWaalsContact O-CG 3.27Å; D234-Q238 WeakPolarHBondContact O-CG 3.38Å; D234-Q238 PolarHBondContact O-N 2.98Å; A235-Q238 PolarHBondContact O-N 3.02Å; Q238-K241 PolarHBondContact O-N 3.32Å; Q238-K242 WeakPolarHBondContact O-CD 3.45Å; Q238-K242 WeakPolarHBondContact O-CG 3.45Å; Q238-K242 PolarHBondContact O-N 3.48Å
239	L	44.8	Very low	57.3	Low	105 Å²	105	100.7 Å²	100.7	55%	0.55	53%	0.525	S	S	.	.	H	α-helix	trans	-63.3	-50.4	172.8	-76.7	162.4	0	0	0	111.2	A235 L236 K241 K242	A235-L239 WeakPolarHBondContact O-CG 3.37Å; A235-L239 PolarHBondContact O-N 2.84Å; L236-L239 WeakPolarHBondContact O-CB 3.35Å; L236-L239 PolarHBondContact O-N 2.8Å; L239-K241 PolarHBondContact O-N 2.7Å; L239-K242 PolarHBondContact O-N 3.15Å
240	Q	44.3	Very low	59.4	Low	82 Å²	82	95.1 Å²	95.1	38%	0.383	49%	0.494	S	S	.	.	H	α-helix	trans	-63.4	-24.3	177.7	-69	-169.2	28.8	0	0	114.3	L236	L236-Q240 WeakPolarHBondContact O-CG 3.21Å; L236-Q240 PolarHBondContact O-N 2.67Å
241	K	43.6	Very low	61.4	Low	134 Å²	134	94.6 Å²	94.6	58%	0.583	49%	0.494	S	S	*	.	H	α-helix	trans	-81.7	-27.9	173.4	-76.3	166.1	179.9	163.4	0	113.1	A237 Q238 L239	A237-K241 VanDerWaalsContact O-CB 3.31Å; A237-K241 WeakPolarHBondContact O-CB 3.46Å; A237-K241 WeakPolarHBondContact O-CD 3.44Å; A237-K241 WeakPolarHBondContact O-CG 3.4Å; A237-K241 PolarHBondContact O-N 3.08Å; Q238-K241 PolarHBondContact O-N 3.32Å; L239-K241 PolarHBondContact O-N 2.7Å
242	K	43.5	Very low	63	Low	127 Å²	127	98.8 Å²	98.8	55%	0.552	51%	0.506	S	S	*	.	H	α-helix	trans	-67.3	-33.2	-178.9	-80.7	161	-173.6	167.9	0	113.1	Q238 L239 K244	Q238-K242 WeakPolarHBondContact O-CD 3.45Å; Q238-K242 WeakPolarHBondContact O-CG 3.45Å; Q238-K242 PolarHBondContact O-N 3.48Å; L239-K242 PolarHBondContact O-N 3.15Å; K242-K244 VanDerWaalsContact C-N 3.34Å; K242-K244 PolarHBondContact O-N 3.02Å
243	D	50.2	Low	64.5	Low	142 Å²	142	94.4 Å²	94.4	76%	0.759	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	1.3	-177.3	-72.8	-6.2	0	0	0	114.9
244	K	59.8	Low	65.7	Low	134 Å²	134	96.2 Å²	96.2	58%	0.583	49%	0.492	S	S	*	.	S	Bend	trans	-121.7	100	-174.6	-68.1	173	-172.3	162.7	0	111.1	K242 Q246	K242-K244 VanDerWaalsContact C-N 3.34Å; K242-K244 PolarHBondContact O-N 3.02Å; K244-Q246 PolarHBondContact O-N 2.91Å; K244-Q246 VanDerWaalsContact O-N 3.11Å
245	L	71.2	Confident	66.8	Low	32 Å²	32	94 Å²	94	17%	0.168	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-50.5	116.5	167.8	-179.5	63.8	0	0	0	109.7	I434 L437	L245-I434 HydrophobicContact CB-CG2 4.23Å; L245-I434 HydrophobicContact CD2-CG1 4.36Å; L245-L437 HydrophobicContact CD1-CB 3.71Å; L245-L437 HydrophobicContact CD2-CB 4.12Å; L245-L437 HydrophobicContact CD2-CD1 3.86Å
246	Q	72.7	Confident	68.5	Low	134 Å²	134	100.1 Å²	100.1	63%	0.626	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-77.4	146.2	-175.8	-62.5	-175.6	3.3	0	0	110.7	K244	K244-Q246 PolarHBondContact O-N 2.91Å; K244-Q246 VanDerWaalsContact O-N 3.11Å
247	P	78.9	Confident	70.4	Confident	112 Å²	112	102.2 Å²	102.2	73%	0.727	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-67.5	133.3	172.3	28.8	-33.7	0	0	0	110
248	I	83.1	Confident	72.4	Confident	47 Å²	47	102.6 Å²	102.6	24%	0.241	51%	0.511	C	S	.	.	P	Polyproline II helix	trans	-86.9	128.1	-178.5	-67.5	177.2	0	0	0	109.8	H250 I253 N476	I248-H250 PolarHBondContact O-N 3.22Å; I248-H250 VanDerWaalsContact O-N 3.08Å; I248-I253 HydrophobicContact CG2-CD1 3.41Å; I248-I253 VanDerWaalsContact CG2-CD1 3.41Å; I248-N476 HydrophobicContact CD1-CB 4.19Å; I248-N476 WeakPolarHBondContact CD1-OD1 3.44Å; I248-N476 WeakPolarHBondContact CG1-OD1 3.38Å
249	D	84.8	Confident	74.6	Confident	72 Å²	72	104.7 Å²	104.7	39%	0.385	51%	0.514	S	S	.	.			trans	-78.7	91.7	170.2	-175.2	-3.4	0	0	0	110.8	S251 K252	D249-S251 VanDerWaalsContact CG-OG 3.27Å; D249-S251 PolarHBondContact O-N 2.89Å; D249-S251 VanDerWaalsContact O-N 3.1Å; D249-S251 VanDerWaalsContact OD1-CB 3.29Å; D249-S251 WeakPolarHBondContact OD1-CB 3.23Å; D249-S251 PolarHBondContact OD1-N 3.13Å; D249-S251 PolarHBondContact OD1-OG 3.05Å; D249-S251 PolarHBondContact OD2-OG 3.45Å; D249-K252 PolarHBondContact O-N 3.47Å; D249-K252 IonicContact OD2-NZ 3.17Å; D249-K252 PolarHBondContact OD2-NZ 2.69Å
250	H	87	Confident	76.9	Confident	47 Å²	47	102.5 Å²	102.5	22%	0.218	50%	0.5	C	S	.	.	G	3₁₀ helix	trans	-57.4	-19.8	177.4	-60	-58.4	0	0	0	114.2	I248 K252 I253 Y255 E475 C477	I248-H250 PolarHBondContact O-N 3.22Å; I248-H250 VanDerWaalsContact O-N 3.08Å; H250-K252 PolarHBondContact O-N 3.22Å; H250-I253 PolarHBondContact O-N 2.96Å; H250-Y255 HydrophobicContact CB-CE2 4.21Å; H250-Y255 AromaticContact ND1-CZ 3.86Å; H250-Y255 PolarHBondContact ND1-OH 3.43Å; H250-E475 PolarHBondContact NE2-O 3.28Å; H250-C477 PolarHBondContact CE1-O 2.91Å; H250-C477 VanDerWaalsContact CE1-O 3.31Å
251	S	86.5	Confident	79.2	Confident	102 Å²	102	102.6 Å²	102.6	71%	0.713	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-70.5	-19.9	179.5	73.2	0	0	0	0	113.4	D249	D249-S251 VanDerWaalsContact CG-OG 3.27Å; D249-S251 PolarHBondContact O-N 2.89Å; D249-S251 VanDerWaalsContact O-N 3.1Å; D249-S251 VanDerWaalsContact OD1-CB 3.29Å; D249-S251 WeakPolarHBondContact OD1-CB 3.23Å; D249-S251 PolarHBondContact OD1-N 3.13Å; D249-S251 PolarHBondContact OD1-OG 3.05Å; D249-S251 PolarHBondContact OD2-OG 3.45Å
252	K	87	Confident	81.5	Confident	169 Å²	169	96.8 Å²	96.8	74%	0.735	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-93.2	0.9	179.6	-62.4	-172	173.8	83	0	113.8	D249 H250	D249-K252 PolarHBondContact O-N 3.47Å; D249-K252 IonicContact OD2-NZ 3.17Å; D249-K252 PolarHBondContact OD2-NZ 2.69Å; H250-K252 PolarHBondContact O-N 3.22Å
253	I	86.2	Confident	83.9	Confident	51 Å²	51	92 Å²	92	26%	0.262	46%	0.457	S	S	.	.			trans	-116.1	114.6	-172.2	-59.1	175.1	0	0	0	109.3	I248 H250 Y255	I248-I253 HydrophobicContact CG2-CD1 3.41Å; I248-I253 VanDerWaalsContact CG2-CD1 3.41Å; H250-I253 PolarHBondContact O-N 2.96Å; I253-Y255 HydrophobicContact CB-CD2 4.24Å; I253-Y255 HydrophobicContact CB-CE2 3.72Å; I253-Y255 HydrophobicContact CG2-CD1 4.1Å; I253-Y255 HydrophobicContact CG2-CD2 4.01Å; I253-Y255 HydrophobicContact CG2-CE1 3.79Å; I253-Y255 HydrophobicContact CG2-CE2 3.71Å; I253-Y255 HydrophobicContact CG2-CG 4.2Å; I253-Y255 VanDerWaalsContact O-CD2 3.23Å; I253-Y255 WeakPolarHBondContact O-CD2 3.42Å; I253-Y255 PolarHBondContact O-N 2.97Å
254	E	87.1	Confident	85.9	Confident	193 Å²	193	90.5 Å²	90.5	90%	0.902	45%	0.453	S	S	*	.			trans	-73.4	109.8	168.9	-171.7	173.1	-175.6	0	0	109.3
255	Y	88.9	Confident	87.4	Confident	42 Å²	42	87.5 Å²	87.5	17%	0.165	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-93.7	123.5	-179.3	-74.8	-77	0	0	0	111.3	H250 I253 H448 R478	H250-Y255 HydrophobicContact CB-CE2 4.21Å; H250-Y255 AromaticContact ND1-CZ 3.86Å; H250-Y255 PolarHBondContact ND1-OH 3.43Å; I253-Y255 HydrophobicContact CB-CD2 4.24Å; I253-Y255 HydrophobicContact CB-CE2 3.72Å; I253-Y255 HydrophobicContact CG2-CD1 4.1Å; I253-Y255 HydrophobicContact CG2-CD2 4.01Å; I253-Y255 HydrophobicContact CG2-CE1 3.79Å; I253-Y255 HydrophobicContact CG2-CE2 3.71Å; I253-Y255 HydrophobicContact CG2-CG 4.2Å; I253-Y255 VanDerWaalsContact O-CD2 3.23Å; I253-Y255 WeakPolarHBondContact O-CD2 3.42Å; I253-Y255 PolarHBondContact O-N 2.97Å; Y255-H448 WeakPolarHBondContact CD1-O 3.13Å; Y255-H448 HydrophobicContact CE1-CB 4.41Å; Y255-H448 VanDerWaalsContact CE1-O 3.3Å; Y255-H448 WeakPolarHBondContact CE1-O 3.2Å; Y255-R478 HydrophobicContact CD1-CB 3.84Å; Y255-R478 HydrophobicContact CE1-CB 3.53Å; Y255-R478 HydrophobicContact CE2-CB 4.32Å; Y255-R478 HydrophobicContact CG-CB 4.36Å
256	F	87.7	Confident	88.4	Confident	172 Å²	172	87.7 Å²	87.7	75%	0.754	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-52.4	134.5	171.3	-67.8	-73.4	0	0	0	111.4	R478	F256-R478 PolarHBondContact O-NH1 2.92Å; F256-R478 PolarHBondContact O-NH2 2.66Å
257	P	92.2	Very high	89.2	Confident	123 Å²	123	85.8 Å²	85.8	80%	0.799	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-68.1	144.4	175.8	29.1	-34.7	0	0	0	110.3
258	F	93.9	Very high	89.7	Confident	40 Å²	40	86.6 Å²	86.6	18%	0.175	44%	0.437	C	S	.	.			trans	-135.7	151.1	175.9	71.5	-77.4	0	0	0	110.9	K260 H360 D480	F258-K260 HydrophobicContact CD2-CG 4.13Å; F258-K260 HydrophobicContact CE2-CD 4.25Å; F258-K260 HydrophobicContact CE2-CG 3.47Å; F258-K260 VanDerWaalsContact CE2-CG 3.47Å; F258-K260 HydrophobicContact CZ-CD 4.4Å; F258-K260 VanDerWaalsContact CZ-CE 3.47Å; F258-K260 HydrophobicContact CZ-CG 4.05Å; F258-H360 AromaticContact CD2-CE1 3.64Å; F258-H360 AromaticContact CE2-CE1 3.69Å; F258-D480 WeakPolarHBondContact CE1-OD2 3.43Å; F258-D480 WeakPolarHBondContact CZ-O 3.16Å
259	R	93.8	Very high	90.1	Very high	139 Å²	139	84.3 Å²	84.3	53%	0.525	43%	0.425	S	S	.	.			trans	-80.9	136.7	175.8	-174.8	173.4	177.1	167.6	1	109.7	N261 F262	R259-N261 PolarHBondContact NE-O 3.45Å; R259-N261 PolarHBondContact NH2-O 2.98Å; R259-F262 HydrophobicContact CB-CE1 3.81Å; R259-F262 HydrophobicContact CB-CZ 4.25Å; R259-F262 HydrophobicContact CG-CD1 4.01Å; R259-F262 HydrophobicContact CG-CE1 3.58Å; R259-F262 HydrophobicContact CG-CZ 4.27Å; R259-F262 WeakPolarHBondContact O-CZ 3.17Å
260	K	92.4	Very high	90.3	Very high	58 Å²	58	83.5 Å²	83.5	25%	0.252	43%	0.428	S	S	.	.			trans	-109.1	-36.8	170.1	-67	-171.9	177.3	-178.2	0	114.1	F258 F262 G336 D480 R481 Q482	F258-K260 HydrophobicContact CD2-CG 4.13Å; F258-K260 HydrophobicContact CE2-CD 4.25Å; F258-K260 HydrophobicContact CE2-CG 3.47Å; F258-K260 VanDerWaalsContact CE2-CG 3.47Å; F258-K260 HydrophobicContact CZ-CD 4.4Å; F258-K260 VanDerWaalsContact CZ-CE 3.47Å; F258-K260 HydrophobicContact CZ-CG 4.05Å; K260-F262 VanDerWaalsContact O-CD2 3.28Å; K260-F262 WeakPolarHBondContact O-CD2 3.34Å; K260-F262 WeakPolarHBondContact O-CE2 3.35Å; K260-F262 PolarHBondContact O-N 2.87Å; K260-G336 WeakPolarHBondContact O-CA 3.48Å; K260-G336 PolarHBondContact O-N 3.16Å; K260-D480 WeakPolarHBondContact CE-O 3.34Å; K260-D480 PolarHBondContact NZ-O 3.18Å; K260-R481 VanDerWaalsContact NZ-C 3.3Å; K260-R481 PolarHBondContact NZ-O 3.5Å; K260-Q482 HydrophobicContact CD-CB 4.44Å
261	N	93.8	Very high	90.5	Very high	85 Å²	85	89.9 Å²	89.9	46%	0.455	46%	0.455	S	S	.	.			trans	-91.3	102.4	-174.4	-174	3.7	0	0	0	111	R259 Y263 M334 S335	R259-N261 PolarHBondContact NE-O 3.45Å; R259-N261 PolarHBondContact NH2-O 2.98Å; N261-Y263 PolarHBondContact OD1-N 3.32Å; N261-Y263 PolarHBondContact OD1-O 2.82Å; N261-M334 CarbonylContact C-O 3.6Å; N261-M334 PolarHBondContact OD1-O 2.9Å; N261-S335 WeakPolarHBondContact OD1-CA 3.18Å
262	F	91.9	Very high	90.7	Very high	12 Å²	12	85.8 Å²	85.8	5%	0.053	43%	0.425	C	S	.	.			trans	-105.6	-9.3	175.7	-48.5	-67.5	0	0	0	112.7	R259 K260 M334 R359 H360 H363	R259-F262 HydrophobicContact CB-CE1 3.81Å; R259-F262 HydrophobicContact CB-CZ 4.25Å; R259-F262 HydrophobicContact CG-CD1 4.01Å; R259-F262 HydrophobicContact CG-CE1 3.58Å; R259-F262 HydrophobicContact CG-CZ 4.27Å; R259-F262 WeakPolarHBondContact O-CZ 3.17Å; K260-F262 VanDerWaalsContact O-CD2 3.28Å; K260-F262 WeakPolarHBondContact O-CD2 3.34Å; K260-F262 WeakPolarHBondContact O-CE2 3.35Å; K260-F262 PolarHBondContact O-N 2.87Å; F262-M334 HydrophobicContact CB-CE 4.11Å; F262-M334 HydrophobicContact CB-SD 4.3Å; F262-M334 PolarHBondContact N-O 3.19Å; F262-R359 HydrophobicContact CB-CG 4.24Å; F262-R359 HydrophobicContact CG-CG 4.31Å; F262-H360 HydrophobicContact CE2-CB 4.01Å; F262-H360 AromaticContact CE2-ND1 3.92Å; F262-H360 HydrophobicContact CZ-CB 4.45Å; F262-H363 HydrophobicContact CD1-CB 4.42Å; F262-H363 AromaticContact CD1-CD2 4Å; F262-H363 AromaticContact CD1-CE1 3.35Å; F262-H363 WeakPolarHBondContact CD1-CE1 3.16Å; F262-H363 AromaticContact CD1-CG 3.78Å; F262-H363 AromaticContact CD1-ND1 3.39Å; F262-H363 WeakPolarHBondContact CD1-ND1 3.44Å; F262-H363 AromaticContact CD1-NE2 3.73Å; F262-H363 HydrophobicContact CE1-CB 3.51Å; F262-H363 AromaticContact CE1-CD2 3.86Å; F262-H363 AromaticContact CE1-CE1 3.74Å; F262-H363 AromaticContact CE1-CG 3.33Å; F262-H363 AromaticContact CE1-ND1 3.29Å; F262-H363 VanDerWaalsContact CE1-ND1 3.29Å; F262-H363 WeakPolarHBondContact CE1-ND1 3.4Å; F262-H363 HydrophobicContact CZ-CB 4.04Å
263	Y	92.8	Very high	90.9	Very high	25 Å²	25	80 Å²	80	10%	0.098	41%	0.406	C	S	.	.			trans	-78.2	130.8	-175.1	-171.5	-117.4	0	0	0	112	N261 E265 P295 L298 P331 M334	N261-Y263 PolarHBondContact OD1-N 3.32Å; N261-Y263 PolarHBondContact OD1-O 2.82Å; Y263-E265 HydrophobicContact CE1-CB 3.93Å; Y263-E265 HydrophobicContact CE1-CG 4.44Å; Y263-P295 HydrophobicContact CE1-CB 4.14Å; Y263-L298 HydrophobicContact CE2-CD2 4.02Å; Y263-P331 HydrophobicContact CD1-CB 4.35Å; Y263-P331 HydrophobicContact CD2-CB 4.03Å; Y263-P331 HydrophobicContact CE1-CB 3.97Å; Y263-P331 HydrophobicContact CE2-CB 3.65Å; Y263-P331 HydrophobicContact CG-CB 4.38Å; Y263-M334 HydrophobicContact CD2-CB 4.29Å; Y263-M334 HydrophobicContact CG-CB 4.41Å; Y263-M334 PolarHBondContact N-O 2.69Å
264	V	91.7	Very high	91.1	Very high	111 Å²	111	86.9 Å²	86.9	67%	0.673	43%	0.434	S	S	*	.			trans	-124.9	118	169.6	-178.9	0	0	0	0	106.4	V266	V264-V266 PolarHBondContact O-N 3.31Å
265	E	90.9	Very high	91.3	Very high	71 Å²	71	85.1 Å²	85.1	33%	0.332	43%	0.426	S	S	.	.			trans	-69.7	121.1	-177.3	-172.8	173.8	178.9	0	0	110.5	Y263 L269 A270 K296	Y263-E265 HydrophobicContact CE1-CB 3.93Å; Y263-E265 HydrophobicContact CE1-CG 4.44Å; E265-L269 HydrophobicContact CG-CB 3.91Å; E265-A270 HydrophobicContact CG-CB 4.38Å; E265-A270 WeakPolarHBondContact OE1-CA 3.43Å; E265-A270 PolarHBondContact OE1-N 3.05Å; E265-A270 VanDerWaalsContact OE1-N 3.15Å; E265-K296 WeakPolarHBondContact OE1-CD 3.42Å; E265-K296 WeakPolarHBondContact OE1-CE 3.32Å; E265-K296 IonicContact OE1-NZ 3.52Å
266	V	92.5	Very high	91.5	Very high	37 Å²	37	87 Å²	87	22%	0.224	44%	0.439	C	S	.	.			trans	-66.9	147.4	179	-63	0	0	0	0	111.5	V264 E268 L269 A270 Q303	V264-V266 PolarHBondContact O-N 3.31Å; V266-E268 HydrophobicContact CG2-CB 4.34Å; V266-E268 PolarHBondContact O-N 2.82Å; V266-L269 HydrophobicContact CG2-CB 4.09Å; V266-L269 HydrophobicContact CG2-CD1 3.86Å; V266-L269 HydrophobicContact CG2-CG 3.67Å; V266-L269 PolarHBondContact O-N 3.32Å; V266-A270 PolarHBondContact O-N 3.06Å; V266-Q303 HydrophobicContact CG1-CB 4.46Å; V266-Q303 HydrophobicContact CG2-CB 4Å; V266-Q303 HydrophobicContact CG2-CG 3.95Å
267	P	90.7	Very high	91.7	Very high	94 Å²	94	79.3 Å²	79.3	61%	0.61	41%	0.406	S	S	*	.	H	α-helix	trans	-55.9	-27.1	-177.4	-29.2	36.3	0	0	0	115.2	K271	P267-K271 WeakPolarHBondContact O-CD 3.27Å; P267-K271 WeakPolarHBondContact O-CG 3.49Å; P267-K271 PolarHBondContact O-N 3.42Å; P267-K271 VanDerWaalsContact O-N 3.15Å
268	E	89.7	Confident	91.7	Very high	128 Å²	128	81.1 Å²	81.1	60%	0.598	40%	0.401	S	S	*	.	H	α-helix	trans	-64.8	-43.4	175.2	-57.6	-178.9	141.8	0	0	112.5	V266 Q303	V266-E268 HydrophobicContact CG2-CB 4.34Å; V266-E268 PolarHBondContact O-N 2.82Å; E268-Q303 PolarHBondContact OE2-NE2 2.9Å
269	L	90	Very high	91.7	Very high	0 Å²	0	82.2 Å²	82.2	0%	0	42%	0.418	C	S	.	.	H	α-helix	trans	-75.1	-42	177.1	-63.7	179.7	0	0	0	109.7	E265 V266 K271 M272 K296 L298 R299 Q303	E265-L269 HydrophobicContact CG-CB 3.91Å; V266-L269 HydrophobicContact CG2-CB 4.09Å; V266-L269 HydrophobicContact CG2-CD1 3.86Å; V266-L269 HydrophobicContact CG2-CG 3.67Å; V266-L269 PolarHBondContact O-N 3.32Å; L269-K271 PolarHBondContact O-N 3.5Å; L269-K271 VanDerWaalsContact O-N 3.14Å; L269-M272 HydrophobicContact CD2-SD 3.9Å; L269-M272 WeakPolarHBondContact O-CB 3.37Å; L269-M272 PolarHBondContact O-N 3.36Å; L269-K296 VanDerWaalsContact O-CD 3.22Å; L269-K296 WeakPolarHBondContact O-CD 3.37Å; L269-K296 WeakPolarHBondContact O-CE 3.38Å; L269-K296 PolarHBondContact O-NZ 3.47Å; L269-L298 HydrophobicContact CD1-CD2 3.55Å; L269-R299 HydrophobicContact CD2-CG 4.49Å; L269-Q303 HydrophobicContact CD1-CB 4.36Å
270	A	89.9	Confident	91.6	Very high	55 Å²	55	77.9 Å²	77.9	46%	0.455	40%	0.402	S	S	.	.	H	α-helix	trans	-53.2	-38.7	177.4	0	0	0	0	0	112.4	E265 V266 M272 K296	E265-A270 HydrophobicContact CG-CB 4.38Å; E265-A270 WeakPolarHBondContact OE1-CA 3.43Å; E265-A270 PolarHBondContact OE1-N 3.05Å; E265-A270 VanDerWaalsContact OE1-N 3.15Å; V266-A270 PolarHBondContact O-N 3.06Å; A270-M272 PolarHBondContact O-N 3.11Å; A270-K296 VanDerWaalsContact C-NZ 3.34Å; A270-K296 PolarHBondContact O-NZ 3.48Å
271	K	91.4	Very high	91.7	Very high	181 Å²	181	77.4 Å²	77.4	79%	0.787	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-20.9	176.1	-73.1	171.6	-174.2	-176.8	0	115.6	P267 L269 S273	P267-K271 WeakPolarHBondContact O-CD 3.27Å; P267-K271 WeakPolarHBondContact O-CG 3.49Å; P267-K271 PolarHBondContact O-N 3.42Å; P267-K271 VanDerWaalsContact O-N 3.15Å; L269-K271 PolarHBondContact O-N 3.5Å; L269-K271 VanDerWaalsContact O-N 3.14Å; K271-S273 PolarHBondContact O-N 3.18Å
272	M	89.2	Confident	91.5	Very high	15 Å²	15	75.4 Å²	75.4	7%	0.074	39%	0.394	C	S	.	.			trans	-65.2	130.8	179.9	-69	-177	61	0	0	111.7	L269 A270 D276 V277 Y280 K296 R299	L269-M272 HydrophobicContact CD2-SD 3.9Å; L269-M272 WeakPolarHBondContact O-CB 3.37Å; L269-M272 PolarHBondContact O-N 3.36Å; A270-M272 PolarHBondContact O-N 3.11Å; M272-D276 HydrophobicContact CB-CB 4.22Å; M272-D276 HydrophobicContact CE-CB 3.84Å; M272-V277 HydrophobicContact CB-CG2 4.03Å; M272-V277 HydrophobicContact CE-CG2 4.06Å; M272-Y280 HydrophobicContact CE-CD1 4.21Å; M272-Y280 HydrophobicContact CE-CG 4.47Å; M272-K296 HydrophobicContact CB-CD 4.37Å; M272-K296 PolarHBondContact O-NZ 3.39Å; M272-R299 PolarHBondContact SD-NH2 3.47Å
273	S	91.8	Very high	91.5	Very high	49 Å²	49	79.2 Å²	79.2	34%	0.343	42%	0.422	S	S	.	.			trans	-70.3	168.6	174.9	75.7	0	0	0	0	112.1	K271 E275 D276 V277	K271-S273 PolarHBondContact O-N 3.18Å; S273-E275 PolarHBondContact O-N 2.79Å; S273-E275 PolarHBondContact OG-N 3.36Å; S273-D276 WeakPolarHBondContact CB-OD2 3.33Å; S273-D276 PolarHBondContact N-OD2 3.12Å; S273-D276 PolarHBondContact O-N 3.17Å; S273-D276 PolarHBondContact OG-N 2.92Å; S273-D276 PolarHBondContact OG-OD2 2.99Å; S273-V277 VanDerWaalsContact O-CG2 3.3Å; S273-V277 WeakPolarHBondContact O-CG2 3.33Å; S273-V277 PolarHBondContact O-N 3.22Å
274	K	90.3	Very high	91.3	Very high	195 Å²	195	79.1 Å²	79.1	85%	0.848	42%	0.423	S	S	*	.	H	α-helix	trans	-63.4	-29.5	174.5	-67.5	176.8	-178.9	172.1	0	112	K278	K274-K278 WeakPolarHBondContact O-CB 3.5Å; K274-K278 PolarHBondContact O-N 3.47Å; K274-K278 VanDerWaalsContact O-N 3.13Å
275	E	92.4	Very high	90.8	Very high	156 Å²	156	77.5 Å²	77.5	73%	0.729	41%	0.408	S	S	*	.	H	α-helix	trans	-75.6	-44.2	176.7	-76	142	-133	0	0	111.6	S273 V277 K278 A279	S273-E275 PolarHBondContact O-N 2.79Å; S273-E275 PolarHBondContact OG-N 3.36Å; E275-V277 VanDerWaalsContact C-N 3.3Å; E275-V277 PolarHBondContact O-N 3.47Å; E275-K278 WeakPolarHBondContact O-CB 3.35Å; E275-K278 PolarHBondContact O-N 3.37Å; E275-A279 WeakPolarHBondContact O-CB 3.46Å; E275-A279 PolarHBondContact O-N 3.1Å
276	D	92.7	Very high	90.6	Very high	82 Å²	82	78.9 Å²	78.9	44%	0.439	42%	0.417	S	S	.	.	H	α-helix	trans	-58.4	-42.9	173.5	-59.2	-54.8	0	0	0	111.6	M272 S273 K278 A279 Y280	M272-D276 HydrophobicContact CB-CB 4.22Å; M272-D276 HydrophobicContact CE-CB 3.84Å; S273-D276 WeakPolarHBondContact CB-OD2 3.33Å; S273-D276 PolarHBondContact N-OD2 3.12Å; S273-D276 PolarHBondContact O-N 3.17Å; S273-D276 PolarHBondContact OG-N 2.92Å; S273-D276 PolarHBondContact OG-OD2 2.99Å; D276-K278 VanDerWaalsContact C-N 3.32Å; D276-K278 PolarHBondContact O-N 3.3Å; D276-A279 PolarHBondContact O-N 3.01Å; D276-Y280 VanDerWaalsContact O-CB 3.24Å; D276-Y280 WeakPolarHBondContact O-CB 3.37Å; D276-Y280 PolarHBondContact O-N 3.1Å
277	V	92.4	Very high	90.6	Very high	10 Å²	10	77.6 Å²	77.6	6%	0.061	41%	0.409	C	S	.	.	H	α-helix	trans	-64.5	-36.9	176.5	171.8	0	0	0	0	111.3	M272 S273 E275 R281 K296	M272-V277 HydrophobicContact CB-CG2 4.03Å; M272-V277 HydrophobicContact CE-CG2 4.06Å; S273-V277 VanDerWaalsContact O-CG2 3.3Å; S273-V277 WeakPolarHBondContact O-CG2 3.33Å; S273-V277 PolarHBondContact O-N 3.22Å; E275-V277 VanDerWaalsContact C-N 3.3Å; E275-V277 PolarHBondContact O-N 3.47Å; V277-R281 WeakPolarHBondContact O-CB 3.47Å; V277-R281 VanDerWaalsContact O-CG 3.26Å; V277-R281 WeakPolarHBondContact O-CG 3.44Å; V277-R281 PolarHBondContact O-N 3.24Å; V277-K296 HydrophobicContact CG2-CB 4.22Å; V277-K296 HydrophobicContact CG2-CD 3.71Å; V277-K296 HydrophobicContact CG2-CG 3.91Å
278	K	91.9	Very high	90.6	Very high	160 Å²	160	78.5 Å²	78.5	70%	0.696	40%	0.4	S	S	*	.	H	α-helix	trans	-69.3	-44.3	176.1	-174	-176	176.5	-171	0	111.5	K274 E275 D276 R281 A282	K274-K278 WeakPolarHBondContact O-CB 3.5Å; K274-K278 PolarHBondContact O-N 3.47Å; K274-K278 VanDerWaalsContact O-N 3.13Å; E275-K278 WeakPolarHBondContact O-CB 3.35Å; E275-K278 PolarHBondContact O-N 3.37Å; D276-K278 VanDerWaalsContact C-N 3.32Å; D276-K278 PolarHBondContact O-N 3.3Å; K278-R281 PolarHBondContact O-N 3.42Å; K278-A282 PolarHBondContact O-N 2.85Å
279	A	93	Very high	90.8	Very high	63 Å²	63	74.3 Å²	74.3	52%	0.521	38%	0.384	S	S	.	.	H	α-helix	trans	-64	-42	176.4	0	0	0	0	0	111.9	E275 D276 A282 S283	E275-A279 WeakPolarHBondContact O-CB 3.46Å; E275-A279 PolarHBondContact O-N 3.1Å; D276-A279 PolarHBondContact O-N 3.01Å; A279-A282 WeakPolarHBondContact O-CB 3.3Å; A279-A282 PolarHBondContact O-N 2.73Å; A279-A282 VanDerWaalsContact O-N 3.17Å; A279-S283 PolarHBondContact O-N 3.43Å; A279-S283 VanDerWaalsContact O-N 3.08Å
280	Y	92.8	Very high	90.9	Very high	48 Å²	48	81 Å²	81	19%	0.188	41%	0.409	C	S	.	.	H	α-helix	trans	-71.4	-34.6	178.2	-172.6	-133	0	0	0	112.8	M272 D276 A282 S283 L284 P297 L298 R299	M272-Y280 HydrophobicContact CE-CD1 4.21Å; M272-Y280 HydrophobicContact CE-CG 4.47Å; D276-Y280 VanDerWaalsContact O-CB 3.24Å; D276-Y280 WeakPolarHBondContact O-CB 3.37Å; D276-Y280 PolarHBondContact O-N 3.1Å; Y280-A282 VanDerWaalsContact C-N 3.28Å; Y280-A282 PolarHBondContact O-N 3.39Å; Y280-S283 PolarHBondContact O-N 3.13Å; Y280-S283 PolarHBondContact O-OG 2.95Å; Y280-L284 HydrophobicContact CD1-CD1 4.24Å; Y280-L284 HydrophobicContact CD2-CD1 4.44Å; Y280-L284 HydrophobicContact CD2-CG 4.31Å; Y280-L284 HydrophobicContact CE1-CD1 3.79Å; Y280-L284 HydrophobicContact CE2-CD1 4.01Å; Y280-L284 HydrophobicContact CE2-CD2 4.12Å; Y280-L284 HydrophobicContact CE2-CG 3.91Å; Y280-L284 WeakPolarHBondContact O-CG 3.42Å; Y280-L284 PolarHBondContact O-N 3.06Å; Y280-L284 VanDerWaalsContact O-N 3.17Å; Y280-P297 HydrophobicContact CD1-CG 3.87Å; Y280-P297 HydrophobicContact CE1-CG 4.21Å; Y280-L298 PolarHBondContact OH-O 3.12Å; Y280-R299 HydrophobicContact CE1-CG 3.78Å; Y280-R299 WeakPolarHBondContact OH-CA 3.5Å
281	R	93.3	Very high	90.8	Very high	48 Å²	48	80.7 Å²	80.7	18%	0.181	41%	0.411	C	S	.	.	H	α-helix	trans	-63.8	-32.7	168	-78	175.2	176.5	149.8	0.4	112.4	V277 K278 N286 I287 P295 P297	V277-R281 WeakPolarHBondContact O-CB 3.47Å; V277-R281 VanDerWaalsContact O-CG 3.26Å; V277-R281 WeakPolarHBondContact O-CG 3.44Å; V277-R281 PolarHBondContact O-N 3.24Å; K278-R281 PolarHBondContact O-N 3.42Å; R281-N286 CarbonylContact O-C 3.55Å; R281-N286 WeakPolarHBondContact O-CA 3.29Å; R281-I287 HydrophobicContact CB-CB 4.2Å; R281-I287 HydrophobicContact CG-CB 4.29Å; R281-I287 PolarHBondContact O-N 2.99Å; R281-P295 PolarHBondContact NH2-O 2.98Å; R281-P297 HydrophobicContact CG-CG 4.11Å
282	A	90.6	Very high	90.7	Very high	44 Å²	44	82 Å²	82	36%	0.364	41%	0.411	S	S	.	.	H	α-helix	trans	-67.9	-44.7	175.3	0	0	0	0	0	112.2	K278 A279 Y280 L284 N286	K278-A282 PolarHBondContact O-N 2.85Å; A279-A282 WeakPolarHBondContact O-CB 3.3Å; A279-A282 PolarHBondContact O-N 2.73Å; A279-A282 VanDerWaalsContact O-N 3.17Å; Y280-A282 VanDerWaalsContact C-N 3.28Å; Y280-A282 PolarHBondContact O-N 3.39Å; A282-L284 VanDerWaalsContact C-N 3.34Å; A282-L284 PolarHBondContact O-N 3.09Å; A282-N286 PolarHBondContact O-N 3.47Å; A282-N286 PolarHBondContact O-OD1 2.74Å
283	S	91.2	Very high	90.7	Very high	91 Å²	91	89.5 Å²	89.5	64%	0.636	45%	0.446	S	S	*	.	H	α-helix	trans	-70.5	-25.8	179.7	62.4	0	0	0	0	114.1	A279 Y280 E285	A279-S283 PolarHBondContact O-N 3.43Å; A279-S283 VanDerWaalsContact O-N 3.08Å; Y280-S283 PolarHBondContact O-N 3.13Å; Y280-S283 PolarHBondContact O-OG 2.95Å; S283-E285 VanDerWaalsContact C-N 3.27Å; S283-E285 PolarHBondContact O-N 2.94Å
284	L	88	Confident	90.7	Very high	23 Å²	23	88.5 Å²	88.5	12%	0.12	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	59.1	173.1	-68.1	176.7	0	0	0	112.9	Y280 A282 N286 I287 P297 P324 C327	Y280-L284 HydrophobicContact CD1-CD1 4.24Å; Y280-L284 HydrophobicContact CD2-CD1 4.44Å; Y280-L284 HydrophobicContact CD2-CG 4.31Å; Y280-L284 HydrophobicContact CE1-CD1 3.79Å; Y280-L284 HydrophobicContact CE2-CD1 4.01Å; Y280-L284 HydrophobicContact CE2-CD2 4.12Å; Y280-L284 HydrophobicContact CE2-CG 3.91Å; Y280-L284 WeakPolarHBondContact O-CG 3.42Å; Y280-L284 PolarHBondContact O-N 3.06Å; Y280-L284 VanDerWaalsContact O-N 3.17Å; A282-L284 VanDerWaalsContact C-N 3.34Å; A282-L284 PolarHBondContact O-N 3.09Å; L284-N286 VanDerWaalsContact C-N 3.3Å; L284-N286 PolarHBondContact O-N 3.34Å; L284-I287 HydrophobicContact CB-CD1 3.7Å; L284-I287 HydrophobicContact CB-CG1 3.85Å; L284-I287 HydrophobicContact CD1-CD1 3.96Å; L284-I287 WeakPolarHBondContact O-CG1 3.01Å; L284-P297 HydrophobicContact CD1-CB 4.42Å; L284-P324 HydrophobicContact CB-CB 4.2Å; L284-P324 HydrophobicContact CD2-CG 4.4Å; L284-C327 HydrophobicContact CD1-CB 3.87Å
285	E	83.2	Confident	90.8	Very high	78 Å²	78	80.3 Å²	80.3	36%	0.364	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	36	-177.6	-62.1	-171	168.3	0	0	114.3	S283 P324 K344 I510 G511	S283-E285 VanDerWaalsContact C-N 3.27Å; S283-E285 PolarHBondContact O-N 2.94Å; E285-P324 HydrophobicContact CG-CG 4.2Å; E285-K344 WeakPolarHBondContact OE1-CE 3.17Å; E285-K344 IonicContact OE1-NZ 3.43Å; E285-K344 PolarHBondContact OE1-NZ 3.32Å; E285-K344 VanDerWaalsContact OE2-CE 3.24Å; E285-K344 WeakPolarHBondContact OE2-CE 3.33Å; E285-K344 IonicContact OE2-NZ 3.88Å; E285-K344 PolarHBondContact OE2-NZ 2.83Å; E285-I510 HydrophobicContact CB-CG2 3.55Å; E285-G511 PolarHBondContact O-N 2.85Å
286	N	86.2	Confident	90.9	Very high	99 Å²	99	75 Å²	75	53%	0.529	38%	0.38	S	S	.	.			trans	53.6	57.4	179.7	-80.6	-56.1	0	0	0	114.7	R281 A282 L284 R288	R281-N286 CarbonylContact O-C 3.55Å; R281-N286 WeakPolarHBondContact O-CA 3.29Å; A282-N286 PolarHBondContact O-N 3.47Å; A282-N286 PolarHBondContact O-OD1 2.74Å; L284-N286 VanDerWaalsContact C-N 3.3Å; L284-N286 PolarHBondContact O-N 3.34Å; N286-R288 PolarHBondContact O-N 3.28Å; N286-R288 VanDerWaalsContact O-N 3.09Å
287	I	91.5	Very high	90.9	Very high	10 Å²	10	71 Å²	71	5%	0.051	36%	0.359	C	S	.	.			trans	-59.6	112.6	175	-46.3	-169.9	0	0	0	110.6	R281 L284 V289 P324 Q328 I508 Q509 I510	R281-I287 HydrophobicContact CB-CB 4.2Å; R281-I287 HydrophobicContact CG-CB 4.29Å; R281-I287 PolarHBondContact O-N 2.99Å; L284-I287 HydrophobicContact CB-CD1 3.7Å; L284-I287 HydrophobicContact CB-CG1 3.85Å; L284-I287 HydrophobicContact CD1-CD1 3.96Å; L284-I287 WeakPolarHBondContact O-CG1 3.01Å; I287-V289 HydrophobicContact CG2-CG2 3.9Å; I287-P324 WeakPolarHBondContact CD1-O 3.47Å; I287-Q328 HydrophobicContact CD1-CB 3.88Å; I287-Q328 HydrophobicContact CG2-CB 4.31Å; I287-Q328 HydrophobicContact CG2-CG 4.15Å; I287-I508 HydrophobicContact CG2-CG2 3.78Å; I287-Q509 CarbonylContact C-O 3.57Å; I287-Q509 WeakPolarHBondContact CA-O 3.44Å; I287-I510 HydrophobicContact CB-CG1 4.43Å; I287-I510 HydrophobicContact CD1-CD1 3.94Å; I287-I510 HydrophobicContact CG1-CD1 3.95Å; I287-I510 HydrophobicContact CG1-CG1 4.05Å; I287-I510 HydrophobicContact CG2-CD1 4.48Å; I287-I510 HydrophobicContact CG2-CG1 4.15Å
288	R	91.5	Very high	91	Very high	113 Å²	113	70.6 Å²	70.6	43%	0.426	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	140	164.2	-69.6	-176.1	-61.9	-71.5	1.5	109.5	N286 Q509 G511	N286-R288 PolarHBondContact O-N 3.28Å; N286-R288 VanDerWaalsContact O-N 3.09Å; R288-Q509 HydrophobicContact CB-CB 4.4Å; R288-Q509 PolarHBondContact N-O 3.32Å; R288-Q509 VanDerWaalsContact NE-OE1 3.14Å; R288-Q509 VanDerWaalsContact NH2-NE2 3.19Å; R288-Q509 PolarHBondContact O-N 2.74Å; R288-G511 PolarHBondContact NH1-O 2.9Å; R288-G511 PolarHBondContact NH2-O 2.74Å
289	V	92.9	Very high	91	Very high	40 Å²	40	68.6 Å²	68.6	24%	0.242	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	135.1	-178.4	176.9	0	0	0	0	108.7	I287 C294 Q328 I506 E507	I287-V289 HydrophobicContact CG2-CG2 3.9Å; V289-C294 HydrophobicContact CG1-CB 3.58Å; V289-C294 WeakPolarHBondContact CG1-SG 3.29Å; V289-Q328 HydrophobicContact CG2-CG 4.1Å; V289-I506 HydrophobicContact CG1-CG2 4.12Å; V289-E507 CarbonylContact C-O 3.49Å; V289-E507 WeakPolarHBondContact CA-O 3.48Å
290	R	91.8	Very high	90.9	Very high	140 Å²	140	69.4 Å²	69.4	53%	0.528	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	155.2	169.8	-63.6	156.4	163	-176.2	-4.2	109.8	I506 E507	R290-I506 WeakPolarHBondContact O-CA 3.3Å; R290-E507 HydrophobicContact CB-CB 4.22Å; R290-E507 WeakPolarHBondContact CD-OE2 3.37Å; R290-E507 IonicContact CZ-OE1 3.99Å; R290-E507 IonicContact CZ-OE2 3.73Å; R290-E507 PolarHBondContact N-O 3.46Å; R290-E507 IonicContact NE-OE2 3.79Å; R290-E507 IonicContact NH1-OE1 3.03Å; R290-E507 PolarHBondContact NH1-OE1 3.5Å; R290-E507 IonicContact NH1-OE2 2.85Å; R290-E507 PolarHBondContact NH1-OE2 3.04Å; R290-E507 PolarHBondContact O-N 3.18Å
291	G	89.4	Confident	90.8	Very high	49 Å²	49	67.6 Å²	67.6	51%	0.505	33%	0.333	S	S	.	.	S	Bend	trans	114.8	163	-173	0	0	0	0	0	111.7
292	R	89.1	Confident	90.7	Very high	210 Å²	210	70.2 Å²	70.2	79%	0.792	35%	0.354	S	S	*	.	S	Bend	trans	-82.1	140.9	178.6	-62.1	-176.5	-177.1	-175.4	1	110.5	R337	R292-R337 PolarHBondContact O-NH1 3.45Å; R292-R337 PolarHBondContact O-NH2 2.96Å; R292-R337 VanDerWaalsContact O-NH2 3.12Å
293	E	88.1	Confident	90.7	Very high	171 Å²	171	68.6 Å²	68.6	80%	0.799	34%	0.339	S	S	*	.	S	Bend	trans	53.3	57.8	169.5	-64.5	165.7	-173.8	0	0	113.3	P295 R337	E293-P295 WeakPolarHBondContact O-CD 3.08Å; E293-R337 PolarHBondContact O-NH1 3.38Å
294	C	91.4	Very high	90.6	Very high	29 Å²	29	64.3 Å²	64.3	20%	0.196	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-84.8	121.6	173.8	-179	0	0	0	0	111.3	V289 V332 I506	V289-C294 HydrophobicContact CG1-CB 3.58Å; V289-C294 WeakPolarHBondContact CG1-SG 3.29Å; C294-V332 VanDerWaalsContact SG-CG2 3.53Å; C294-I506 HydrophobicContact CB-CD1 3.99Å; C294-I506 HydrophobicContact CB-CG1 4.47Å; C294-I506 HydrophobicContact CB-CG2 4.06Å
295	P	93.2	Very high	90.4	Very high	23 Å²	23	64.9 Å²	64.9	15%	0.149	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-52.9	157.3	175	-30.1	37.6	0	0	0	114.7	Y263 R281 E293 Q328 P331	Y263-P295 HydrophobicContact CE1-CB 4.14Å; R281-P295 PolarHBondContact NH2-O 2.98Å; E293-P295 WeakPolarHBondContact O-CD 3.08Å; P295-Q328 PolarHBondContact O-NE2 3.08Å; P295-P331 HydrophobicContact CB-CB 3.9Å; P295-P331 HydrophobicContact CB-CG 4.34Å
296	K	94.4	Very high	90.7	Very high	43 Å²	43	62.3 Å²	62.3	19%	0.187	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-66.8	144.4	173.9	-52.3	-173	-158.9	-178.7	0	110.1	E265 L269 A270 M272 V277 P331	E265-K296 WeakPolarHBondContact OE1-CD 3.42Å; E265-K296 WeakPolarHBondContact OE1-CE 3.32Å; E265-K296 IonicContact OE1-NZ 3.52Å; L269-K296 VanDerWaalsContact O-CD 3.22Å; L269-K296 WeakPolarHBondContact O-CD 3.37Å; L269-K296 WeakPolarHBondContact O-CE 3.38Å; L269-K296 PolarHBondContact O-NZ 3.47Å; A270-K296 VanDerWaalsContact C-NZ 3.34Å; A270-K296 PolarHBondContact O-NZ 3.48Å; M272-K296 HydrophobicContact CB-CD 4.37Å; M272-K296 PolarHBondContact O-NZ 3.39Å; V277-K296 HydrophobicContact CG2-CB 4.22Å; V277-K296 HydrophobicContact CG2-CD 3.71Å; V277-K296 HydrophobicContact CG2-CG 3.91Å; K296-P331 WeakPolarHBondContact O-CG 3.38Å
297	P	94	Very high	90.8	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-70.7	143.8	177.8	30.3	-34.6	0	0	0	111.3	Y280 R281 L284 C327 Q328	Y280-P297 HydrophobicContact CD1-CG 3.87Å; Y280-P297 HydrophobicContact CE1-CG 4.21Å; R281-P297 HydrophobicContact CG-CG 4.11Å; L284-P297 HydrophobicContact CD1-CB 4.42Å; P297-C327 CarbonylContact C-O 3.52Å; P297-C327 VanDerWaalsContact CA-O 3.31Å; P297-C327 WeakPolarHBondContact CA-O 3.48Å; P297-C327 HydrophobicContact CB-CB 4.43Å; P297-Q328 HydrophobicContact CB-CB 4.21Å
298	L	93.9	Very high	90.7	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-72.3	159.5	174.9	-49.3	179.8	0	0	0	111.4	Y263 L269 Y280 Q303 A304 C327 L330 P331	Y263-L298 HydrophobicContact CE2-CD2 4.02Å; L269-L298 HydrophobicContact CD1-CD2 3.55Å; Y280-L298 PolarHBondContact OH-O 3.12Å; L298-Q303 HydrophobicContact CD2-CB 4.05Å; L298-Q303 WeakPolarHBondContact CD2-O 3.46Å; L298-A304 HydrophobicContact CD1-CB 3.56Å; L298-C327 PolarHBondContact N-O 2.86Å; L298-C327 WeakPolarHBondContact O-CB 3.47Å; L298-C327 PolarHBondContact O-SG 2.91Å; L298-L330 HydrophobicContact CD1-CB 3.82Å; L298-L330 HydrophobicContact CD1-CD1 4.05Å; L298-P331 HydrophobicContact CD2-CB 4.14Å; L298-P331 HydrophobicContact CD2-CG 4.22Å; L298-P331 HydrophobicContact CG-CB 4.41Å; L298-P331 HydrophobicContact CG-CG 4.05Å
299	R	90.5	Very high	90.7	Very high	118 Å²	118	65.8 Å²	65.8	45%	0.445	33%	0.333	S	S	.	.	S	Bend	trans	-103.8	-43.2	168.1	-54	-177.3	-179.5	-168.3	-1.1	111.9	L269 M272 Y280	L269-R299 HydrophobicContact CD2-CG 4.49Å; M272-R299 PolarHBondContact SD-NH2 3.47Å; Y280-R299 HydrophobicContact CE1-CG 3.78Å; Y280-R299 WeakPolarHBondContact OH-CA 3.5Å
300	N	91.9	Very high	90.6	Very high	80 Å²	80	63.9 Å²	63.9	43%	0.428	32%	0.321	S	S	.	.	S	Bend	trans	-129.9	151	-172.2	-61	-9.8	0	0	0	111.2	V302 Q303	N300-V302 VanDerWaalsContact C-N 3.25Å; N300-V302 PolarHBondContact O-N 2.84Å; N300-V302 VanDerWaalsContact O-N 3.17Å; N300-Q303 HydrophobicContact CB-CG 4.42Å; N300-Q303 VanDerWaalsContact N-OE1 3.16Å; N300-Q303 WeakPolarHBondContact O-CB 3.43Å; N300-Q303 PolarHBondContact O-N 2.9Å
301	W	91.6	Very high	90.6	Very high	10 Å²	10	59.1 Å²	59.1	4%	0.038	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-53.9	-36	178.5	-69.7	113.9	0	0	0	114.8	Q303 A304 I306 L311 L314 F319 K321 P322 Q326 L330 V355	W301-Q303 PolarHBondContact O-N 3.4Å; W301-A304 VanDerWaalsContact O-CB 3.23Å; W301-A304 WeakPolarHBondContact O-CB 3.34Å; W301-A304 PolarHBondContact O-N 3.24Å; W301-I306 HydrophobicContact CB-CD1 4.36Å; W301-L311 HydrophobicContact CB-CD1 3.94Å; W301-L314 HydrophobicContact CD2-CD1 3.93Å; W301-L314 HydrophobicContact CE3-CD1 3.76Å; W301-L314 HydrophobicContact CG-CD1 4.43Å; W301-L314 HydrophobicContact CH2-CD1 4.49Å; W301-L314 HydrophobicContact CZ3-CD1 4.04Å; W301-F319 VanDerWaalsContact CD1-O 3.31Å; W301-F319 HydrophobicContact CZ2-CB 4.33Å; W301-F319 PolarHBondContact NE1-O 3.04Å; W301-K321 VanDerWaalsContact NE1-C 3.28Å; W301-P322 HydrophobicContact CD2-CB 4.29Å; W301-P322 HydrophobicContact CH2-CB 4.4Å; W301-P322 HydrophobicContact CZ2-CB 4.17Å; W301-Q326 HydrophobicContact CH2-CG 4.42Å; W301-Q326 VanDerWaalsContact CH2-OE1 3.28Å; W301-L330 HydrophobicContact CE3-CD1 3.85Å; W301-L330 HydrophobicContact CH2-CD1 4.44Å; W301-L330 HydrophobicContact CZ3-CD1 3.54Å; W301-L330 HydrophobicContact CZ3-CD2 4.44Å; W301-V355 HydrophobicContact CH2-CG2 4.49Å; W301-V355 HydrophobicContact CZ3-CB 4.46Å; W301-V355 HydrophobicContact CZ3-CG1 4.21Å; W301-V355 HydrophobicContact CZ3-CG2 4.09Å
302	V	90.3	Very high	90.7	Very high	104 Å²	104	59 Å²	59	63%	0.63	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-58.1	-34.4	178.8	-178.3	0	0	0	0	111.7	N300 A304 G305 L311	N300-V302 VanDerWaalsContact C-N 3.25Å; N300-V302 PolarHBondContact O-N 2.84Å; N300-V302 VanDerWaalsContact O-N 3.17Å; V302-A304 PolarHBondContact O-N 3.34Å; V302-G305 PolarHBondContact O-N 3.16Å; V302-L311 HydrophobicContact CG2-CD2 4.05Å
303	Q	90.7	Very high	90.8	Very high	9 Å²	9	49.1 Å²	49.1	4%	0.042	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-72.9	-8	-179.3	-55.9	175.5	-34.5	0	0	113	V266 E268 L269 L298 N300 W301 G305	V266-Q303 HydrophobicContact CG1-CB 4.46Å; V266-Q303 HydrophobicContact CG2-CB 4Å; V266-Q303 HydrophobicContact CG2-CG 3.95Å; E268-Q303 PolarHBondContact OE2-NE2 2.9Å; L269-Q303 HydrophobicContact CD1-CB 4.36Å; L298-Q303 HydrophobicContact CD2-CB 4.05Å; L298-Q303 WeakPolarHBondContact CD2-O 3.46Å; N300-Q303 HydrophobicContact CB-CG 4.42Å; N300-Q303 VanDerWaalsContact N-OE1 3.16Å; N300-Q303 WeakPolarHBondContact O-CB 3.43Å; N300-Q303 PolarHBondContact O-N 2.9Å; W301-Q303 PolarHBondContact O-N 3.4Å; Q303-G305 VanDerWaalsContact C-N 3.31Å
304	A	88.6	Confident	91	Very high	1 Å²	1	41 Å²	41	1%	0.008	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-75.6	-16.6	176.2	0	0	0	0	0	113.5	L298 W301 V302 I306 L330 M334	L298-A304 HydrophobicContact CD1-CB 3.56Å; W301-A304 VanDerWaalsContact O-CB 3.23Å; W301-A304 WeakPolarHBondContact O-CB 3.34Å; W301-A304 PolarHBondContact O-N 3.24Å; V302-A304 PolarHBondContact O-N 3.34Å; A304-I306 HydrophobicContact CB-CG2 4.03Å; A304-L330 HydrophobicContact CB-CD1 4.45Å; A304-M334 WeakPolarHBondContact O-CE 3.49Å
305	G	85	Confident	90.9	Very high	35 Å²	35	46.1 Å²	46.1	36%	0.361	24%	0.244	S	C	.	.			trans	75.1	31.5	-175.3	0	0	0	0	0	114	V302 Q303 R359	V302-G305 PolarHBondContact O-N 3.16Å; Q303-G305 VanDerWaalsContact C-N 3.31Å; G305-R359 PolarHBondContact O-NE 2.9Å
306	I	88.2	Confident	90.8	Very high	24 Å²	24	53.3 Å²	53.3	12%	0.123	27%	0.268	C	S	.	.			trans	-82.9	157.8	178.3	56.2	170.3	0	0	0	113.1	W301 A304 L310 L311 L314 V355	W301-I306 HydrophobicContact CB-CD1 4.36Å; A304-I306 HydrophobicContact CB-CG2 4.03Å; I306-L310 HydrophobicContact CB-CD2 4.12Å; I306-L310 HydrophobicContact CG2-CD2 4.05Å; I306-L311 HydrophobicContact CD1-CB 4.03Å; I306-L311 HydrophobicContact CD1-CD1 4.14Å; I306-L311 HydrophobicContact CG1-CB 4.48Å; I306-L314 HydrophobicContact CD1-CD1 3.76Å; I306-V355 HydrophobicContact CG2-CG1 3.71Å
307	S	88.6	Confident	90.4	Very high	23 Å²	23	53.4 Å²	53.4	16%	0.161	27%	0.271	C	S	.	.			trans	-68.6	154.5	177.3	65.6	0	0	0	0	112.8	R309 L310 L311 E362	S307-R309 VanDerWaalsContact C-N 3.31Å; S307-R309 PolarHBondContact O-N 2.84Å; S307-L310 PolarHBondContact O-N 3.49Å; S307-L310 WeakPolarHBondContact OG-CB 3.47Å; S307-L310 PolarHBondContact OG-N 3.45Å; S307-L311 PolarHBondContact O-N 2.88Å; S307-E362 WeakPolarHBondContact CB-OE1 3.32Å; S307-E362 PolarHBondContact OG-OE1 3.04Å
308	S	89.8	Confident	90.1	Very high	99 Å²	99	59.8 Å²	59.8	69%	0.692	31%	0.305	S	S	*	.	H	α-helix	trans	-61.8	-37.2	178.8	53.4	0	0	0	0	112.5	L311 A312	S308-L311 PolarHBondContact O-N 3.22Å; S308-A312 WeakPolarHBondContact O-CB 3.36Å; S308-A312 PolarHBondContact O-N 2.91Å
309	R	91.1	Very high	89.7	Confident	174 Å²	174	62.6 Å²	62.6	66%	0.657	32%	0.317	S	S	*	.	H	α-helix	trans	-58.7	-47	172.8	-64.1	-178.2	180	-179.3	-0.3	111.4	S307 A312 C313 A398	S307-R309 VanDerWaalsContact C-N 3.31Å; S307-R309 PolarHBondContact O-N 2.84Å; R309-A312 PolarHBondContact O-N 2.91Å; R309-C313 PolarHBondContact O-N 2.89Å; R309-A398 HydrophobicContact CB-CB 4.2Å; R309-A398 WeakPolarHBondContact CD-O 3.32Å
310	L	91.7	Very high	89.4	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-68	-42.1	179.6	-173.7	56.8	0	0	0	112	I306 S307 A312 C313 L314 V355 M358 L395 A398	I306-L310 HydrophobicContact CB-CD2 4.12Å; I306-L310 HydrophobicContact CG2-CD2 4.05Å; S307-L310 PolarHBondContact O-N 3.49Å; S307-L310 WeakPolarHBondContact OG-CB 3.47Å; S307-L310 PolarHBondContact OG-N 3.45Å; L310-A312 VanDerWaalsContact C-N 3.34Å; L310-A312 PolarHBondContact O-N 3.49Å; L310-C313 WeakPolarHBondContact O-CB 3.48Å; L310-C313 PolarHBondContact O-N 3.29Å; L310-L314 WeakPolarHBondContact O-CG 3.41Å; L310-L314 PolarHBondContact O-N 3.4Å; L310-V355 HydrophobicContact CD2-CG1 4.08Å; L310-M358 HydrophobicContact CD1-CB 4.23Å; L310-M358 HydrophobicContact CD1-CG 3.96Å; L310-M358 HydrophobicContact CD2-CB 3.72Å; L310-M358 HydrophobicContact CD2-CG 4.28Å; L310-L395 HydrophobicContact CD1-CD2 3.92Å; L310-A398 HydrophobicContact CB-CB 4.42Å; L310-A398 HydrophobicContact CD1-CB 4.29Å
311	L	91.8	Very high	89.3	Confident	39 Å²	39	67 Å²	67	20%	0.204	34%	0.342	C	S	.	.	H	α-helix	trans	-61.5	-40.5	174.5	-178.9	64.8	0	0	0	112.2	W301 V302 I306 S307 S308 L314 K315	W301-L311 HydrophobicContact CB-CD1 3.94Å; V302-L311 HydrophobicContact CG2-CD2 4.05Å; I306-L311 HydrophobicContact CD1-CB 4.03Å; I306-L311 HydrophobicContact CD1-CD1 4.14Å; I306-L311 HydrophobicContact CG1-CB 4.48Å; S307-L311 PolarHBondContact O-N 2.88Å; S308-L311 PolarHBondContact O-N 3.22Å; L311-L314 PolarHBondContact O-N 3.24Å; L311-K315 WeakPolarHBondContact O-CG 3.5Å; L311-K315 PolarHBondContact O-N 2.84Å
312	A	91.7	Very high	89.3	Confident	46 Å²	46	67.2 Å²	67.2	38%	0.38	35%	0.345	S	S	.	.	H	α-helix	trans	-65.7	-37.9	174.3	0	0	0	0	0	112.1	S308 R309 L310 K315 R316	S308-A312 WeakPolarHBondContact O-CB 3.36Å; S308-A312 PolarHBondContact O-N 2.91Å; R309-A312 PolarHBondContact O-N 2.91Å; L310-A312 VanDerWaalsContact C-N 3.34Å; L310-A312 PolarHBondContact O-N 3.49Å; A312-K315 PolarHBondContact O-N 2.88Å; A312-R316 WeakPolarHBondContact O-CB 3.48Å; A312-R316 PolarHBondContact O-N 2.81Å
313	C	90.9	Very high	89.4	Confident	3 Å²	3	64.4 Å²	64.4	2%	0.02	33%	0.328	C	S	.	.	H	α-helix	trans	-65.6	-41.5	174.2	-169.6	0	0	0	0	112.4	R309 L310 R316 N317 K394 A398	R309-C313 PolarHBondContact O-N 2.89Å; L310-C313 WeakPolarHBondContact O-CB 3.48Å; L310-C313 PolarHBondContact O-N 3.29Å; C313-R316 PolarHBondContact O-N 2.63Å; C313-N317 PolarHBondContact O-N 2.91Å; C313-N317 VanDerWaalsContact O-N 3.16Å; C313-N317 PolarHBondContact O-ND2 3.03Å; C313-K394 PolarHBondContact SG-O 2.99Å; C313-K394 VanDerWaalsContact SG-O 3.37Å; C313-A398 HydrophobicContact CB-CB 4.02Å
314	L	91.5	Very high	89.4	Confident	1 Å²	1	65.5 Å²	65.5	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-61.6	-45.2	175.1	-71.5	172.8	0	0	0	111.7	W301 I306 L310 L311 N317 N318 F319 V355 L395	W301-L314 HydrophobicContact CD2-CD1 3.93Å; W301-L314 HydrophobicContact CE3-CD1 3.76Å; W301-L314 HydrophobicContact CG-CD1 4.43Å; W301-L314 HydrophobicContact CH2-CD1 4.49Å; W301-L314 HydrophobicContact CZ3-CD1 4.04Å; I306-L314 HydrophobicContact CD1-CD1 3.76Å; L310-L314 WeakPolarHBondContact O-CG 3.41Å; L310-L314 PolarHBondContact O-N 3.4Å; L311-L314 PolarHBondContact O-N 3.24Å; L314-N317 CarbonylContact O-C 3.58Å; L314-N317 PolarHBondContact O-N 3.44Å; L314-N318 PolarHBondContact O-N 3.25Å; L314-F319 HydrophobicContact CB-CB 4.41Å; L314-F319 HydrophobicContact CD2-CB 4.4Å; L314-F319 HydrophobicContact CD2-CD2 3.87Å; L314-F319 PolarHBondContact O-N 2.92Å; L314-V355 HydrophobicContact CD1-CG2 4.24Å; L314-V355 HydrophobicContact CD2-CG2 3.99Å; L314-L395 HydrophobicContact CD2-CD2 4.13Å
315	K	90.4	Very high	89.6	Confident	137 Å²	137	65.5 Å²	65.5	60%	0.596	34%	0.335	S	S	*	.	H	α-helix	trans	-59.8	-44.4	173.7	-74.5	-175.7	174.8	-171.1	0	112.6	L311 A312 N317 N318	L311-K315 WeakPolarHBondContact O-CG 3.5Å; L311-K315 PolarHBondContact O-N 2.84Å; A312-K315 PolarHBondContact O-N 2.88Å; K315-N317 PolarHBondContact O-N 2.87Å; K315-N318 PolarHBondContact O-N 3.34Å
316	R	90.3	Very high	90.1	Very high	174 Å²	174	64 Å²	64	66%	0.657	32%	0.319	S	S	*	.	H	α-helix	trans	-61.3	-23.3	177.2	-167.2	-172.6	-62.5	130.5	-1.6	113.3	A312 C313	A312-R316 WeakPolarHBondContact O-CB 3.48Å; A312-R316 PolarHBondContact O-N 2.81Å; C313-R316 PolarHBondContact O-N 2.63Å
317	N	86.2	Confident	90.4	Very high	45 Å²	45	63 Å²	63	24%	0.241	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	16.6	175.9	-72.3	-88.5	0	0	0	113.1	C313 L314 K315 F319 K394	C313-N317 PolarHBondContact O-N 2.91Å; C313-N317 VanDerWaalsContact O-N 3.16Å; C313-N317 PolarHBondContact O-ND2 3.03Å; L314-N317 CarbonylContact O-C 3.58Å; L314-N317 PolarHBondContact O-N 3.44Å; K315-N317 PolarHBondContact O-N 2.87Å; N317-F319 VanDerWaalsContact C-N 3.29Å; N317-F319 HydrophobicContact CB-CD2 3.61Å; N317-F319 HydrophobicContact CB-CE2 3.44Å; N317-F319 VanDerWaalsContact CB-CE2 3.44Å; N317-F319 HydrophobicContact CB-CZ 4.26Å; N317-F319 PolarHBondContact O-N 3.02Å; N317-K394 WeakPolarHBondContact OD1-CD 3.33Å
318	N	86.7	Confident	90.7	Very high	133 Å²	133	61.9 Å²	61.9	71%	0.711	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	31	178.1	-54.8	-18.1	0	0	0	114.5	L314 K315 D320	L314-N318 PolarHBondContact O-N 3.25Å; K315-N318 PolarHBondContact O-N 3.34Å; N318-D320 PolarHBondContact O-N 3.03Å
319	F	85.9	Confident	91	Very high	60 Å²	60	57.2 Å²	57.2	26%	0.263	27%	0.273	S	S	.	.			trans	-92.9	70.4	175.3	-59.6	-52.3	0	0	0	111.3	W301 L314 N317 K321 L351	W301-F319 VanDerWaalsContact CD1-O 3.31Å; W301-F319 HydrophobicContact CZ2-CB 4.33Å; W301-F319 PolarHBondContact NE1-O 3.04Å; L314-F319 HydrophobicContact CB-CB 4.41Å; L314-F319 HydrophobicContact CD2-CB 4.4Å; L314-F319 HydrophobicContact CD2-CD2 3.87Å; L314-F319 PolarHBondContact O-N 2.92Å; N317-F319 VanDerWaalsContact C-N 3.29Å; N317-F319 HydrophobicContact CB-CD2 3.61Å; N317-F319 HydrophobicContact CB-CE2 3.44Å; N317-F319 VanDerWaalsContact CB-CE2 3.44Å; N317-F319 HydrophobicContact CB-CZ 4.26Å; N317-F319 PolarHBondContact O-N 3.02Å; F319-K321 PolarHBondContact O-N 2.92Å; F319-L351 HydrophobicContact CD1-CD1 3.9Å; F319-L351 HydrophobicContact CD2-CD1 3.82Å; F319-L351 HydrophobicContact CE1-CD1 3.8Å; F319-L351 HydrophobicContact CE2-CD1 3.71Å; F319-L351 HydrophobicContact CE2-CD2 4.27Å; F319-L351 HydrophobicContact CG-CD1 3.92Å; F319-L351 HydrophobicContact CZ-CD1 3.71Å
320	D	84.8	Confident	91.2	Very high	131 Å²	131	49 Å²	49	70%	0.701	24%	0.242	S	C	*	.			trans	-64	-37.7	-172.5	-65.1	-43.7	0	0	0	114.6	N318	N318-D320 PolarHBondContact O-N 3.03Å
321	K	89.5	Confident	91.4	Very high	159 Å²	159	49 Å²	49	69%	0.691	24%	0.242	S	C	*	.	S	Bend	trans	-138	147	-176.9	-67.4	179.3	-177.3	171.6	0	111.1	W301 F319	W301-K321 VanDerWaalsContact NE1-C 3.28Å; F319-K321 PolarHBondContact O-N 2.92Å
322	P	92.3	Very high	91.6	Very high	15 Å²	15	47.1 Å²	47.1	10%	0.097	23%	0.233	C	C	.	.			trans	-67.9	144.3	174.5	27.1	-33	0	0	0	111.6	W301 Q326	W301-P322 HydrophobicContact CD2-CB 4.29Å; W301-P322 HydrophobicContact CH2-CB 4.4Å; W301-P322 HydrophobicContact CZ2-CB 4.17Å; P322-Q326 VanDerWaalsContact CA-OE1 3.3Å; P322-Q326 HydrophobicContact CB-CB 3.77Å
323	T	91.1	Very high	91.8	Very high	44 Å²	44	45 Å²	45	27%	0.27	22%	0.215	S	C	.	.			trans	-74.7	163.5	172	71.7	0	0	0	0	111.4	I325 Q326 C327 S347	T323-I325 VanDerWaalsContact C-N 3.26Å; T323-I325 PolarHBondContact O-N 3Å; T323-I325 VanDerWaalsContact O-N 3.1Å; T323-I325 WeakPolarHBondContact OG1-CG2 3.31Å; T323-Q326 WeakPolarHBondContact O-CA 3.4Å; T323-Q326 WeakPolarHBondContact O-CB 3.4Å; T323-Q326 PolarHBondContact O-N 3.4Å; T323-Q326 VanDerWaalsContact OG1-CD 3.23Å; T323-Q326 WeakPolarHBondContact OG1-CG 3.23Å; T323-Q326 PolarHBondContact OG1-NE2 3.05Å; T323-C327 PolarHBondContact O-N 2.82Å; T323-C327 PolarHBondContact O-SG 3.01Å; T323-S347 WeakPolarHBondContact CB-O 3.48Å; T323-S347 PolarHBondContact OG1-O 3.32Å
324	P	91.9	Very high	92	Very high	32 Å²	32	45 Å²	45	21%	0.208	22%	0.215	C	C	.	.	H	α-helix	trans	-50	-38.5	-179.8	-32.5	38	0	0	0	115.3	L284 E285 I287 I510	L284-P324 HydrophobicContact CB-CB 4.2Å; L284-P324 HydrophobicContact CD2-CG 4.4Å; E285-P324 HydrophobicContact CG-CG 4.2Å; I287-P324 WeakPolarHBondContact CD1-O 3.47Å; P324-I510 VanDerWaalsContact C-CD1 3.45Å; P324-I510 HydrophobicContact CB-CD1 4.09Å; P324-I510 HydrophobicContact CB-CG2 4.4Å; P324-I510 WeakPolarHBondContact O-CD1 3.45Å
325	I	92.6	Very high	92.1	Very high	1 Å²	1	46 Å²	46	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-68.1	-44.9	174.7	-170.4	59.9	0	0	0	111.2	T323 C327 Q328 A329 A343 S347 F486 I508 I510	T323-I325 VanDerWaalsContact C-N 3.26Å; T323-I325 PolarHBondContact O-N 3Å; T323-I325 VanDerWaalsContact O-N 3.1Å; T323-I325 WeakPolarHBondContact OG1-CG2 3.31Å; I325-C327 VanDerWaalsContact C-N 3.35Å; I325-C327 PolarHBondContact O-N 2.8Å; I325-Q328 PolarHBondContact O-N 3.49Å; I325-A329 HydrophobicContact CD1-CB 4.42Å; I325-A329 HydrophobicContact CG1-CB 4.35Å; I325-A329 WeakPolarHBondContact O-CA 3.47Å; I325-A329 WeakPolarHBondContact O-CB 3.32Å; I325-A329 PolarHBondContact O-N 2.91Å; I325-A343 HydrophobicContact CB-CB 4.39Å; I325-A343 HydrophobicContact CD1-CB 4.3Å; I325-A343 HydrophobicContact CG1-CB 4.33Å; I325-S347 VanDerWaalsContact CG2-O 3.23Å; I325-S347 WeakPolarHBondContact CG2-O 3.43Å; I325-F486 HydrophobicContact CG1-CE1 4.36Å; I325-I508 HydrophobicContact CD1-CG2 4.03Å; I325-I510 HydrophobicContact CB-CD1 3.84Å; I325-I510 HydrophobicContact CD1-CD1 3.85Å; I325-I510 HydrophobicContact CD1-CG1 4.37Å; I325-I510 HydrophobicContact CG1-CD1 4.45Å
326	Q	94.9	Very high	92.3	Very high	5 Å²	5	40 Å²	40	2%	0.023	20%	0.199	C	C	.	.	H	α-helix	trans	-61.4	-42.5	179.1	-64.5	160.1	7.6	0	0	111.1	W301 P322 T323 Q328 A329 L330 G348 A352	W301-Q326 HydrophobicContact CH2-CG 4.42Å; W301-Q326 VanDerWaalsContact CH2-OE1 3.28Å; P322-Q326 VanDerWaalsContact CA-OE1 3.3Å; P322-Q326 HydrophobicContact CB-CB 3.77Å; T323-Q326 WeakPolarHBondContact O-CA 3.4Å; T323-Q326 WeakPolarHBondContact O-CB 3.4Å; T323-Q326 PolarHBondContact O-N 3.4Å; T323-Q326 VanDerWaalsContact OG1-CD 3.23Å; T323-Q326 WeakPolarHBondContact OG1-CG 3.23Å; T323-Q326 PolarHBondContact OG1-NE2 3.05Å; Q326-Q328 VanDerWaalsContact C-N 3.31Å; Q326-Q328 PolarHBondContact O-N 3.38Å; Q326-A329 PolarHBondContact O-N 3.06Å; Q326-L330 HydrophobicContact CB-CD1 4.06Å; Q326-L330 HydrophobicContact CB-CG 4.32Å; Q326-L330 VanDerWaalsContact O-CB 3.3Å; Q326-L330 WeakPolarHBondContact O-CB 3.19Å; Q326-L330 WeakPolarHBondContact O-CD1 3.47Å; Q326-L330 WeakPolarHBondContact O-CG 3.44Å; Q326-L330 PolarHBondContact O-N 3.09Å; Q326-G348 PolarHBondContact NE2-O 3.41Å; Q326-A352 HydrophobicContact CG-CB 3.85Å
327	C	95	Very high	92.5	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.014	18%	0.177	C	C	.	.	H	α-helix	trans	-51.7	-45.2	177.7	-65.8	0	0	0	0	113.3	L284 P297 L298 T323 I325 P331	L284-C327 HydrophobicContact CD1-CB 3.87Å; P297-C327 CarbonylContact C-O 3.52Å; P297-C327 VanDerWaalsContact CA-O 3.31Å; P297-C327 WeakPolarHBondContact CA-O 3.48Å; P297-C327 HydrophobicContact CB-CB 4.43Å; L298-C327 PolarHBondContact N-O 2.86Å; L298-C327 WeakPolarHBondContact O-CB 3.47Å; L298-C327 PolarHBondContact O-SG 2.91Å; T323-C327 PolarHBondContact O-N 2.82Å; T323-C327 PolarHBondContact O-SG 3.01Å; I325-C327 VanDerWaalsContact C-N 3.35Å; I325-C327 PolarHBondContact O-N 2.8Å; C327-P331 WeakPolarHBondContact O-CD 3.31Å
328	Q	95.1	Very high	93	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-93.4	-27.4	-179.7	-172.4	57.7	92.7	0	0	113.5	I287 V289 P295 P297 I325 Q326 V332 I508	I287-Q328 HydrophobicContact CD1-CB 3.88Å; I287-Q328 HydrophobicContact CG2-CB 4.31Å; I287-Q328 HydrophobicContact CG2-CG 4.15Å; V289-Q328 HydrophobicContact CG2-CG 4.1Å; P295-Q328 PolarHBondContact O-NE2 3.08Å; P297-Q328 HydrophobicContact CB-CB 4.21Å; I325-Q328 PolarHBondContact O-N 3.49Å; Q326-Q328 VanDerWaalsContact C-N 3.31Å; Q326-Q328 PolarHBondContact O-N 3.38Å; Q328-V332 WeakPolarHBondContact O-CG2 3.49Å; Q328-I508 HydrophobicContact CB-CD1 4.36Å; Q328-I508 HydrophobicContact CB-CG2 4.27Å; Q328-I508 HydrophobicContact CG-CD1 3.89Å; Q328-I508 HydrophobicContact CG-CG1 4.19Å; Q328-I508 HydrophobicContact CG-CG2 4.02Å
329	A	95.9	Very high	93.4	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-76.2	-45.8	-177.6	0	0	0	0	0	113	I325 Q326 V332 I333 M339 A352 I508	I325-A329 HydrophobicContact CD1-CB 4.42Å; I325-A329 HydrophobicContact CG1-CB 4.35Å; I325-A329 WeakPolarHBondContact O-CA 3.47Å; I325-A329 WeakPolarHBondContact O-CB 3.32Å; I325-A329 PolarHBondContact O-N 2.91Å; Q326-A329 PolarHBondContact O-N 3.06Å; A329-V332 WeakPolarHBondContact O-CB 3.4Å; A329-V332 PolarHBondContact O-N 3.45Å; A329-I333 HydrophobicContact CB-CD1 4.38Å; A329-I333 WeakPolarHBondContact O-CG1 3.39Å; A329-I333 PolarHBondContact O-N 3.26Å; A329-M339 VanDerWaalsContact CA-CE 3.47Å; A329-M339 HydrophobicContact CB-CE 3.6Å; A329-M339 HydrophobicContact CB-SD 4.09Å; A329-M339 WeakPolarHBondContact O-CE 3.34Å; A329-A352 HydrophobicContact CB-CB 3.94Å; A329-I508 HydrophobicContact CB-CD1 4.24Å
330	L	95.4	Very high	93.9	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-52.1	-51.6	-178	-67.8	169.7	0	0	0	113.2	L298 W301 A304 Q326 V332 I333 M334 V355 P356	L298-L330 HydrophobicContact CD1-CB 3.82Å; L298-L330 HydrophobicContact CD1-CD1 4.05Å; W301-L330 HydrophobicContact CE3-CD1 3.85Å; W301-L330 HydrophobicContact CH2-CD1 4.44Å; W301-L330 HydrophobicContact CZ3-CD1 3.54Å; W301-L330 HydrophobicContact CZ3-CD2 4.44Å; A304-L330 HydrophobicContact CB-CD1 4.45Å; Q326-L330 HydrophobicContact CB-CD1 4.06Å; Q326-L330 HydrophobicContact CB-CG 4.32Å; Q326-L330 VanDerWaalsContact O-CB 3.3Å; Q326-L330 WeakPolarHBondContact O-CB 3.19Å; Q326-L330 WeakPolarHBondContact O-CD1 3.47Å; Q326-L330 WeakPolarHBondContact O-CG 3.44Å; Q326-L330 PolarHBondContact O-N 3.09Å; L330-V332 VanDerWaalsContact C-N 3.35Å; L330-V332 PolarHBondContact O-N 3.38Å; L330-I333 PolarHBondContact O-N 2.89Å; L330-M334 VanDerWaalsContact O-CB 3.25Å; L330-M334 WeakPolarHBondContact O-CB 3.34Å; L330-M334 WeakPolarHBondContact O-CG 3.38Å; L330-M334 PolarHBondContact O-N 3.5Å; L330-V355 HydrophobicContact CD2-CB 3.97Å; L330-V355 HydrophobicContact CD2-CG1 4Å; L330-P356 HydrophobicContact CD2-CG 3.62Å
331	P	95.2	Very high	94.3	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-72	-29.5	-177.5	30.1	-35.7	0	0	0	112.3	Y263 P295 K296 L298 C327 S335	Y263-P331 HydrophobicContact CD1-CB 4.35Å; Y263-P331 HydrophobicContact CD2-CB 4.03Å; Y263-P331 HydrophobicContact CE1-CB 3.97Å; Y263-P331 HydrophobicContact CE2-CB 3.65Å; Y263-P331 HydrophobicContact CG-CB 4.38Å; P295-P331 HydrophobicContact CB-CB 3.9Å; P295-P331 HydrophobicContact CB-CG 4.34Å; K296-P331 WeakPolarHBondContact O-CG 3.38Å; L298-P331 HydrophobicContact CD2-CB 4.14Å; L298-P331 HydrophobicContact CD2-CG 4.22Å; L298-P331 HydrophobicContact CG-CB 4.41Å; L298-P331 HydrophobicContact CG-CG 4.05Å; C327-P331 WeakPolarHBondContact O-CD 3.31Å; P331-S335 WeakPolarHBondContact O-CB 3.32Å; P331-S335 PolarHBondContact O-N 2.81Å; P331-S335 PolarHBondContact O-OG 2.84Å
332	V	96	Very high	94.4	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-62.8	-49.9	172.2	165.9	0	0	0	0	110.7	C294 Q328 A329 L330 S335 R337 M339 I506 I508	C294-V332 VanDerWaalsContact SG-CG2 3.53Å; Q328-V332 WeakPolarHBondContact O-CG2 3.49Å; A329-V332 WeakPolarHBondContact O-CB 3.4Å; A329-V332 PolarHBondContact O-N 3.45Å; L330-V332 VanDerWaalsContact C-N 3.35Å; L330-V332 PolarHBondContact O-N 3.38Å; V332-S335 PolarHBondContact O-N 2.87Å; V332-S335 PolarHBondContact O-OG 3.45Å; V332-R337 HydrophobicContact CG1-CB 4.43Å; V332-M339 HydrophobicContact CB-CE 3.81Å; V332-M339 HydrophobicContact CG1-CB 4.28Å; V332-M339 HydrophobicContact CG1-CE 3.56Å; V332-M339 HydrophobicContact CG1-CG 4.25Å; V332-I506 HydrophobicContact CG1-CB 4.07Å; V332-I506 HydrophobicContact CG1-CD1 3.97Å; V332-I506 HydrophobicContact CG1-CG2 4.35Å; V332-I506 HydrophobicContact CG2-CD1 4.14Å; V332-I506 HydrophobicContact CG2-CG2 4.2Å; V332-I508 HydrophobicContact CB-CD1 4.47Å; V332-I508 HydrophobicContact CG2-CD1 4.19Å
333	I	96.4	Very high	94.2	Very high	2 Å²	2	9.4 Å²	9.4	1%	0.01	5%	0.054	C	C	.	.	H	α-helix	trans	-67.1	-46	-179.7	-59.3	161.7	0	0	0	110.5	A329 L330 S335 G336 M339 A352 P356 Y452 Q482 L484 F486	A329-I333 HydrophobicContact CB-CD1 4.38Å; A329-I333 WeakPolarHBondContact O-CG1 3.39Å; A329-I333 PolarHBondContact O-N 3.26Å; L330-I333 PolarHBondContact O-N 2.89Å; I333-S335 PolarHBondContact O-N 3.42Å; I333-G336 WeakPolarHBondContact O-CA 3.41Å; I333-G336 PolarHBondContact O-N 2.85Å; I333-M339 HydrophobicContact CD1-CE 3.68Å; I333-M339 HydrophobicContact CG1-CE 3.36Å; I333-A352 WeakPolarHBondContact CD1-O 3.27Å; I333-P356 HydrophobicContact CB-CB 3.94Å; I333-P356 HydrophobicContact CB-CG 3.9Å; I333-P356 HydrophobicContact CD1-CG 4.11Å; I333-P356 HydrophobicContact CG2-CB 3.39Å; I333-P356 HydrophobicContact CG2-CG 3.86Å; I333-Y452 HydrophobicContact CG2-CE2 3.82Å; I333-Y452 WeakPolarHBondContact CG2-OH 3.19Å; I333-Q482 PolarHBondContact O-NE2 3.02Å; I333-L484 HydrophobicContact CB-CD1 4.47Å; I333-L484 HydrophobicContact CD1-CD1 3.6Å; I333-L484 HydrophobicContact CG1-CD1 3.7Å; I333-L484 HydrophobicContact CG1-CD2 3.93Å; I333-L484 HydrophobicContact CG2-CD1 3.89Å; I333-L484 HydrophobicContact CG2-CD2 4.46Å; I333-F486 HydrophobicContact CD1-CZ 4.39Å
334	M	94.8	Very high	93.6	Very high	2 Å²	2	10 Å²	10	1%	0.01	5%	0.053	C	C	.	.	H	α-helix	trans	-63.6	-23.2	178.9	-69.2	-78.3	-81.5	0	0	112.4	N261 F262 Y263 A304 L330 G336 P356 R359	N261-M334 CarbonylContact C-O 3.6Å; N261-M334 PolarHBondContact OD1-O 2.9Å; F262-M334 HydrophobicContact CB-CE 4.11Å; F262-M334 HydrophobicContact CB-SD 4.3Å; F262-M334 PolarHBondContact N-O 3.19Å; Y263-M334 HydrophobicContact CD2-CB 4.29Å; Y263-M334 HydrophobicContact CG-CB 4.41Å; Y263-M334 PolarHBondContact N-O 2.69Å; A304-M334 WeakPolarHBondContact O-CE 3.49Å; L330-M334 VanDerWaalsContact O-CB 3.25Å; L330-M334 WeakPolarHBondContact O-CB 3.34Å; L330-M334 WeakPolarHBondContact O-CG 3.38Å; L330-M334 PolarHBondContact O-N 3.5Å; M334-G336 PolarHBondContact O-N 3.12Å; M334-P356 HydrophobicContact CG-CB 4.03Å; M334-P356 HydrophobicContact CG-CG 4.17Å; M334-P356 HydrophobicContact SD-CB 3.92Å; M334-R359 HydrophobicContact CE-CB 4.13Å; M334-R359 HydrophobicContact CE-CG 3.78Å; M334-R359 HydrophobicContact SD-CB 3.82Å; M334-R359 HydrophobicContact SD-CG 4.06Å
335	S	94	Very high	92.9	Very high	23 Å²	23	9.8 Å²	9.8	16%	0.161	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-2	170.2	72.7	0	0	0	0	114.7	N261 P331 V332 I333 R337	N261-S335 WeakPolarHBondContact OD1-CA 3.18Å; P331-S335 WeakPolarHBondContact O-CB 3.32Å; P331-S335 PolarHBondContact O-N 2.81Å; P331-S335 PolarHBondContact O-OG 2.84Å; V332-S335 PolarHBondContact O-N 2.87Å; V332-S335 PolarHBondContact O-OG 3.45Å; I333-S335 PolarHBondContact O-N 3.42Å; S335-R337 WeakPolarHBondContact OG-CG 3.43Å
336	G	93.7	Very high	92	Very high	10 Å²	10	12.4 Å²	12.4	10%	0.103	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	14.2	177.5	0	0	0	0	0	115.6	K260 I333 M334	K260-G336 WeakPolarHBondContact O-CA 3.48Å; K260-G336 PolarHBondContact O-N 3.16Å; I333-G336 WeakPolarHBondContact O-CA 3.41Å; I333-G336 PolarHBondContact O-N 2.85Å; M334-G336 PolarHBondContact O-N 3.12Å
337	R	95.2	Very high	91.4	Very high	53 Å²	53	13 Å²	13	20%	0.2	8%	0.083	C	C	.	.			trans	-92.7	146.1	-176.7	-64.1	-69.4	-62.9	-72.9	-7.3	111.9	R292 E293 V332 S335 Q482 L504 I506	R292-R337 PolarHBondContact O-NH1 3.45Å; R292-R337 PolarHBondContact O-NH2 2.96Å; R292-R337 VanDerWaalsContact O-NH2 3.12Å; E293-R337 PolarHBondContact O-NH1 3.38Å; V332-R337 HydrophobicContact CG1-CB 4.43Å; S335-R337 WeakPolarHBondContact OG-CG 3.43Å; R337-Q482 PolarHBondContact O-NE2 2.92Å; R337-L504 PolarHBondContact NH2-O 3.43Å; R337-I506 HydrophobicContact CB-CD1 4.23Å; R337-I506 HydrophobicContact CG-CD1 4.32Å
338	D	96.7	Very high	90.9	Very high	6 Å²	6	14 Å²	14	3%	0.032	9%	0.093	C	C	.	.			trans	-67.5	154.2	167.9	-74.3	11.5	0	0	0	110.8	Q482 T483 L502 T503 P505 I506	D338-Q482 WeakPolarHBondContact OD1-CA 3.46Å; D338-T483 VanDerWaalsContact CA-O 3.23Å; D338-T483 WeakPolarHBondContact CA-O 3.33Å; D338-T483 VanDerWaalsContact CB-O 3.23Å; D338-T483 WeakPolarHBondContact CB-O 3.38Å; D338-T483 VanDerWaalsContact CG-O 3.24Å; D338-T483 PolarHBondContact OD1-N 3.17Å; D338-L502 HydrophobicContact CB-CB 4.33Å; D338-L502 WeakPolarHBondContact OD2-CA 3.47Å; D338-T503 PolarHBondContact OD2-N 3.36Å; D338-P505 HydrophobicContact CB-CB 4.02Å; D338-P505 CarbonylContact O-C 3.6Å; D338-P505 VanDerWaalsContact O-CA 3.27Å; D338-P505 WeakPolarHBondContact O-CA 3.41Å; D338-I506 PolarHBondContact O-N 3.12Å
339	M	95.6	Very high	90.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	147	-174.6	-169.9	-157.4	-70	0	0	113.2	A329 V332 I333 T483 L484 M485 F486 I506 I508	A329-M339 VanDerWaalsContact CA-CE 3.47Å; A329-M339 HydrophobicContact CB-CE 3.6Å; A329-M339 HydrophobicContact CB-SD 4.09Å; A329-M339 WeakPolarHBondContact O-CE 3.34Å; V332-M339 HydrophobicContact CB-CE 3.81Å; V332-M339 HydrophobicContact CG1-CB 4.28Å; V332-M339 HydrophobicContact CG1-CE 3.56Å; V332-M339 HydrophobicContact CG1-CG 4.25Å; I333-M339 HydrophobicContact CD1-CE 3.68Å; I333-M339 HydrophobicContact CG1-CE 3.36Å; M339-T483 PolarHBondContact N-O 3.37Å; M339-L484 HydrophobicContact CB-CD2 3.78Å; M339-M485 PolarHBondContact O-N 3.44Å; M339-F486 HydrophobicContact SD-CE1 4Å; M339-F486 HydrophobicContact SD-CZ 3.71Å; M339-I506 WeakPolarHBondContact CA-O 3.23Å; M339-I506 WeakPolarHBondContact CG-O 3.41Å; M339-I508 HydrophobicContact CE-CD1 3.68Å; M339-I508 HydrophobicContact CG-CD1 4.03Å; M339-I508 HydrophobicContact CG-CG1 4.32Å; M339-I508 HydrophobicContact SD-CD1 3.69Å; M339-I508 HydrophobicContact SD-CG1 4.46Å
340	I	95.2	Very high	90.6	Very high	12 Å²	12	16 Å²	16	6%	0.062	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	108.9	160.1	-54.1	167.3	0	0	0	107.9	I342 M485 F490 A498 L502 P505 I506 E507 I508	I340-I342 HydrophobicContact CG2-CD1 4.4Å; I340-I342 HydrophobicContact CG2-CG1 4.03Å; I340-M485 CarbonylContact C-O 3.56Å; I340-M485 WeakPolarHBondContact CA-O 3.49Å; I340-M485 HydrophobicContact CG1-CE 4.22Å; I340-M485 HydrophobicContact CG2-CE 4.02Å; I340-F490 HydrophobicContact CD1-CZ 3.87Å; I340-F490 HydrophobicContact CG2-CD2 4.34Å; I340-F490 HydrophobicContact CG2-CE1 4.22Å; I340-F490 HydrophobicContact CG2-CE2 3.87Å; I340-F490 HydrophobicContact CG2-CZ 3.82Å; I340-A498 HydrophobicContact CD1-CB 3.86Å; I340-L502 HydrophobicContact CD1-CD1 3.95Å; I340-L502 HydrophobicContact CG1-CD1 3.37Å; I340-P505 HydrophobicContact CD1-CB 4.45Å; I340-P505 HydrophobicContact CD1-CG 4.12Å; I340-P505 HydrophobicContact CG1-CB 4.25Å; I340-P505 HydrophobicContact CG1-CG 4.43Å; I340-I506 PolarHBondContact N-O 3.1Å; I340-E507 HydrophobicContact CB-CB 4.42Å; I340-E507 WeakPolarHBondContact O-CA 3.1Å; I340-I508 PolarHBondContact O-N 3.22Å
341	G	93.7	Very high	90.5	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	98.4	-178.6	0	0	0	0	0	112.4	M485 F486 S487	G341-M485 PolarHBondContact N-O 2.78Å; G341-F486 WeakPolarHBondContact O-CA 3.3Å; G341-S487 PolarHBondContact O-N 3.34Å
342	I	92.1	Very high	90.5	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.01	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	105.9	-179.3	-48.8	167.1	0	0	0	109.1	I340 F490 E507 I508 Q509 I510	I340-I342 HydrophobicContact CG2-CD1 4.4Å; I340-I342 HydrophobicContact CG2-CG1 4.03Å; I342-F490 HydrophobicContact CD1-CB 3.76Å; I342-F490 HydrophobicContact CD1-CD1 3.38Å; I342-F490 HydrophobicContact CD1-CE1 4.11Å; I342-F490 HydrophobicContact CD1-CG 3.7Å; I342-F490 HydrophobicContact CG1-CB 4.19Å; I342-F490 HydrophobicContact CG1-CD1 4.33Å; I342-F490 HydrophobicContact CG1-CG 4.23Å; I342-E507 HydrophobicContact CD1-CG 3.97Å; I342-I508 PolarHBondContact N-O 2.96Å; I342-Q509 HydrophobicContact CB-CB 4.34Å; I342-Q509 HydrophobicContact CB-CG 4.17Å; I342-Q509 HydrophobicContact CD1-CB 4.38Å; I342-Q509 HydrophobicContact CD1-CG 4.45Å; I342-Q509 HydrophobicContact CG2-CG 4.24Å; I342-Q509 WeakPolarHBondContact O-CA 3.38Å; I342-I510 PolarHBondContact O-N 3.45Å
343	A	87.5	Confident	90.5	Very high	3 Å²	3	16.6 Å²	16.6	3%	0.025	11%	0.107	C	C	.	.			trans	-152.9	153.7	177.6	0	0	0	0	0	112.1	I325 S347 K349 S487 A488 I510	I325-A343 HydrophobicContact CB-CB 4.39Å; I325-A343 HydrophobicContact CD1-CB 4.3Å; I325-A343 HydrophobicContact CG1-CB 4.33Å; A343-S347 WeakPolarHBondContact CB-OG 3.24Å; A343-K349 HydrophobicContact CB-CD 4.34Å; A343-K349 HydrophobicContact CB-CG 4.45Å; A343-K349 PolarHBondContact O-NZ 3.19Å; A343-S487 PolarHBondContact N-O 2.87Å; A343-S487 VanDerWaalsContact O-O 3.06Å; A343-A488 WeakPolarHBondContact O-CA 3.41Å; A343-I510 HydrophobicContact CB-CB 4.35Å
344	K	79.1	Confident	90.5	Very high	57 Å²	57	16.5 Å²	16.5	25%	0.248	11%	0.107	C	C	.	.			trans	-49.9	160.7	179.8	58.9	-176.9	172.3	-176.4	0	114.3	E285 S347 K349 C517	E285-K344 WeakPolarHBondContact OE1-CE 3.17Å; E285-K344 IonicContact OE1-NZ 3.43Å; E285-K344 PolarHBondContact OE1-NZ 3.32Å; E285-K344 VanDerWaalsContact OE2-CE 3.24Å; E285-K344 WeakPolarHBondContact OE2-CE 3.33Å; E285-K344 IonicContact OE2-NZ 3.88Å; E285-K344 PolarHBondContact OE2-NZ 2.83Å; K344-S347 PolarHBondContact O-OG 3.12Å; K344-S347 VanDerWaalsContact O-OG 3.09Å; K344-K349 PolarHBondContact O-NZ 3Å; K344-C517 HydrophobicContact CD-CB 4.42Å; K344-C517 PolarHBondContact NZ-SG 3.38Å
345	T	76.7	Confident	90.5	Very high	27 Å²	27	16.4 Å²	16.4	17%	0.166	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	148.9	165.8	46.8	0	0	0	0	109.6	S347 G635	T345-S347 PolarHBondContact O-N 3.42Å; T345-S347 VanDerWaalsContact O-N 3.13Å; T345-G635 PolarHBondContact OG1-O 3.13Å
346	G	74.7	Confident	90.5	Very high	56 Å²	56	15.5 Å²	15.5	58%	0.577	10%	0.1	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.8	-2.9	-179.6	0	0	0	0	0	116.9	G348	G346-G348 PolarHBondContact O-N 3.19Å
347	S	81.1	Confident	90.6	Very high	16 Å²	16	15 Å²	15	11%	0.112	10%	0.095	C	C	.	.	S	Bend	trans	-69.7	2	-177.3	68.4	0	0	0	0	115.9	T323 I325 A343 K344 T345 K349	T323-S347 WeakPolarHBondContact CB-O 3.48Å; T323-S347 PolarHBondContact OG1-O 3.32Å; I325-S347 VanDerWaalsContact CG2-O 3.23Å; I325-S347 WeakPolarHBondContact CG2-O 3.43Å; A343-S347 WeakPolarHBondContact CB-OG 3.24Å; K344-S347 PolarHBondContact O-OG 3.12Å; K344-S347 VanDerWaalsContact O-OG 3.09Å; T345-S347 PolarHBondContact O-N 3.42Å; T345-S347 VanDerWaalsContact O-N 3.13Å; S347-K349 WeakPolarHBondContact OG-CG 3.39Å
348	G	85.6	Confident	90.6	Very high	23 Å²	23	12.5 Å²	12.5	24%	0.237	9%	0.086	C	C	.	.			trans	83.3	21.9	-177.1	0	0	0	0	0	115	Q326 G346 T350 L351	Q326-G348 PolarHBondContact NE2-O 3.41Å; G346-G348 PolarHBondContact O-N 3.19Å; G348-T350 VanDerWaalsContact C-N 3.26Å; G348-T350 PolarHBondContact O-N 3.02Å; G348-L351 PolarHBondContact O-N 3.26Å
349	K	91	Very high	90.4	Very high	16 Å²	16	15 Å²	15	7%	0.07	10%	0.095	C	C	.	.	H	α-helix	trans	-49.3	-42.4	179.4	-62.7	-161.1	-73	-92.7	0	113.6	A343 K344 S347 L351 A352 F353 F486	A343-K349 HydrophobicContact CB-CD 4.34Å; A343-K349 HydrophobicContact CB-CG 4.45Å; A343-K349 PolarHBondContact O-NZ 3.19Å; K344-K349 PolarHBondContact O-NZ 3Å; S347-K349 WeakPolarHBondContact OG-CG 3.39Å; K349-L351 PolarHBondContact O-N 3.08Å; K349-A352 WeakPolarHBondContact O-CA 3.48Å; K349-A352 WeakPolarHBondContact O-CB 3.23Å; K349-A352 PolarHBondContact O-N 2.61Å; K349-F353 WeakPolarHBondContact O-CD1 3.47Å; K349-F486 HydrophobicContact CB-CD1 4.19Å; K349-F486 HydrophobicContact CD-CB 4.19Å; K349-F486 HydrophobicContact CD-CD1 3.96Å; K349-F486 HydrophobicContact CG-CD1 4.3Å
350	T	93	Very high	90.3	Very high	27 Å²	27	15 Å²	15	17%	0.166	10%	0.095	C	C	.	.	H	α-helix	trans	-57.9	-47.6	-174.9	-43.1	0	0	0	0	113.3	G348 A352 F353 L354 I388	G348-T350 VanDerWaalsContact C-N 3.26Å; G348-T350 PolarHBondContact O-N 3.02Å; T350-A352 PolarHBondContact O-N 3.3Å; T350-F353 HydrophobicContact CG2-CE2 4.23Å; T350-F353 HydrophobicContact CG2-CZ 3.95Å; T350-F353 PolarHBondContact O-N 3.13Å; T350-L354 HydrophobicContact CG2-CD1 3.78Å; T350-L354 HydrophobicContact CG2-CG 4.3Å; T350-L354 WeakPolarHBondContact O-CB 3.42Å; T350-L354 VanDerWaalsContact O-CG 3.32Å; T350-L354 WeakPolarHBondContact O-CG 3.27Å; T350-L354 PolarHBondContact O-N 3Å; T350-I388 HydrophobicContact CG2-CB 4.49Å; T350-I388 HydrophobicContact CG2-CG1 4.04Å; T350-I388 HydrophobicContact CG2-CG2 4.41Å
351	L	93.7	Very high	90.3	Very high	13 Å²	13	15.1 Å²	15.1	7%	0.068	10%	0.096	C	C	.	.	H	α-helix	trans	-67.8	-25.1	176.1	-64.2	177.2	0	0	0	112.9	F319 G348 K349 F353 L354 V355 L395	F319-L351 HydrophobicContact CD1-CD1 3.9Å; F319-L351 HydrophobicContact CD2-CD1 3.82Å; F319-L351 HydrophobicContact CE1-CD1 3.8Å; F319-L351 HydrophobicContact CE2-CD1 3.71Å; F319-L351 HydrophobicContact CE2-CD2 4.27Å; F319-L351 HydrophobicContact CG-CD1 3.92Å; F319-L351 HydrophobicContact CZ-CD1 3.71Å; G348-L351 PolarHBondContact O-N 3.26Å; K349-L351 PolarHBondContact O-N 3.08Å; L351-F353 VanDerWaalsContact C-N 3.26Å; L351-F353 PolarHBondContact O-N 3.21Å; L351-L354 PolarHBondContact O-N 2.96Å; L351-V355 HydrophobicContact CB-CG2 4.43Å; L351-V355 WeakPolarHBondContact O-CB 3.46Å; L351-V355 WeakPolarHBondContact O-CG2 3.44Å; L351-V355 PolarHBondContact O-N 3.18Å; L351-L395 HydrophobicContact CD2-CD1 3.88Å
352	A	95.3	Very high	90.1	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-64.1	-31.6	179.9	0	0	0	0	0	112.2	Q326 A329 I333 K349 T350 P356 F486	Q326-A352 HydrophobicContact CG-CB 3.85Å; A329-A352 HydrophobicContact CB-CB 3.94Å; I333-A352 WeakPolarHBondContact CD1-O 3.27Å; K349-A352 WeakPolarHBondContact O-CA 3.48Å; K349-A352 WeakPolarHBondContact O-CB 3.23Å; K349-A352 PolarHBondContact O-N 2.61Å; T350-A352 PolarHBondContact O-N 3.3Å; A352-P356 WeakPolarHBondContact O-CD 3.39Å; A352-P356 WeakPolarHBondContact O-CG 3.25Å; A352-F486 HydrophobicContact CB-CZ 4.45Å
353	F	95.9	Very high	90	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-95.8	-34.9	171.1	57.9	-103.7	0	0	0	113.9	K349 T350 L351 V355 P356 L357 L377 I388 Y452 V454 D456 L484 F486	K349-F353 WeakPolarHBondContact O-CD1 3.47Å; T350-F353 HydrophobicContact CG2-CE2 4.23Å; T350-F353 HydrophobicContact CG2-CZ 3.95Å; T350-F353 PolarHBondContact O-N 3.13Å; L351-F353 VanDerWaalsContact C-N 3.26Å; L351-F353 PolarHBondContact O-N 3.21Å; F353-V355 PolarHBondContact O-N 3.23Å; F353-P356 WeakPolarHBondContact O-CD 3.29Å; F353-L357 VanDerWaalsContact O-CB 3.31Å; F353-L357 WeakPolarHBondContact O-CB 3.42Å; F353-L357 PolarHBondContact O-N 2.82Å; F353-L357 VanDerWaalsContact O-N 3.1Å; F353-L377 HydrophobicContact CD2-CD2 4.4Å; F353-L377 HydrophobicContact CE2-CD1 4.25Å; F353-L377 HydrophobicContact CE2-CD2 4.49Å; F353-I388 HydrophobicContact CE2-CG2 4.21Å; F353-I388 HydrophobicContact CZ-CD1 4.33Å; F353-I388 HydrophobicContact CZ-CG2 4.5Å; F353-Y452 PolarHBondContact O-OH 3Å; F353-V454 HydrophobicContact CB-CG1 4.38Å; F353-V454 HydrophobicContact CB-CG2 4.09Å; F353-V454 HydrophobicContact CD1-CG1 3.86Å; F353-V454 HydrophobicContact CD2-CB 4.48Å; F353-V454 HydrophobicContact CD2-CG1 4.03Å; F353-V454 HydrophobicContact CD2-CG2 4.11Å; F353-V454 HydrophobicContact CE1-CG1 3.98Å; F353-V454 HydrophobicContact CE2-CG1 4.18Å; F353-V454 HydrophobicContact CG-CG1 3.86Å; F353-V454 HydrophobicContact CG-CG2 4.19Å; F353-V454 HydrophobicContact CZ-CG1 4.13Å; F353-D456 HydrophobicContact CE1-CB 4.13Å; F353-D456 WeakPolarHBondContact CE1-OD2 3.46Å; F353-D456 HydrophobicContact CZ-CB 4.17Å; F353-L484 HydrophobicContact CB-CD1 3.94Å; F353-F486 HydrophobicContact CB-CE2 3.89Å; F353-F486 HydrophobicContact CB-CZ 4.49Å; F353-F486 AromaticContact CD1-CD2 3.59Å; F353-F486 HydrophobicContact CD1-CD2 3.59Å; F353-F486 AromaticContact CD1-CE2 3.6Å; F353-F486 HydrophobicContact CD1-CE2 3.6Å; F353-F486 HydrophobicContact CD1-CG 4.27Å; F353-F486 HydrophobicContact CD1-CZ 4.26Å; F353-F486 HydrophobicContact CE1-CD2 4.14Å; F353-F486 HydrophobicContact CG-CD2 4.49Å; F353-F486 HydrophobicContact CG-CE2 4.2Å
354	L	96.1	Very high	90.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-66.9	-35.3	-179.9	-67.3	-179	0	0	0	113.8	T350 L351 L357 M358 L377 E391 T392 L395	T350-L354 HydrophobicContact CG2-CD1 3.78Å; T350-L354 HydrophobicContact CG2-CG 4.3Å; T350-L354 WeakPolarHBondContact O-CB 3.42Å; T350-L354 VanDerWaalsContact O-CG 3.32Å; T350-L354 WeakPolarHBondContact O-CG 3.27Å; T350-L354 PolarHBondContact O-N 3Å; L351-L354 PolarHBondContact O-N 2.96Å; L354-L357 HydrophobicContact CD2-CD2 4.14Å; L354-L357 WeakPolarHBondContact O-CB 3.32Å; L354-L357 PolarHBondContact O-N 2.77Å; L354-M358 WeakPolarHBondContact O-CG 3.26Å; L354-M358 PolarHBondContact O-N 3.33Å; L354-M358 VanDerWaalsContact O-N 3.13Å; L354-L377 HydrophobicContact CD2-CD1 3.53Å; L354-E391 HydrophobicContact CD1-CB 4.05Å; L354-T392 HydrophobicContact CD2-CG2 4.22Å; L354-T392 VanDerWaalsContact CD2-OG1 3.29Å; L354-T392 WeakPolarHBondContact CD2-OG1 3.21Å; L354-L395 HydrophobicContact CB-CD1 3.61Å; L354-L395 HydrophobicContact CD1-CD1 4.18Å
355	V	94.4	Very high	90.8	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.006	15%	0.146	C	C	.	.	H	α-helix	trans	-67.8	-46	-178.7	169.6	0	0	0	0	112.3	W301 I306 L310 L314 L330 L351 F353 L357 M358 L395	W301-V355 HydrophobicContact CH2-CG2 4.49Å; W301-V355 HydrophobicContact CZ3-CB 4.46Å; W301-V355 HydrophobicContact CZ3-CG1 4.21Å; W301-V355 HydrophobicContact CZ3-CG2 4.09Å; I306-V355 HydrophobicContact CG2-CG1 3.71Å; L310-V355 HydrophobicContact CD2-CG1 4.08Å; L314-V355 HydrophobicContact CD1-CG2 4.24Å; L314-V355 HydrophobicContact CD2-CG2 3.99Å; L330-V355 HydrophobicContact CD2-CB 3.97Å; L330-V355 HydrophobicContact CD2-CG1 4Å; L351-V355 HydrophobicContact CB-CG2 4.43Å; L351-V355 WeakPolarHBondContact O-CB 3.46Å; L351-V355 WeakPolarHBondContact O-CG2 3.44Å; L351-V355 PolarHBondContact O-N 3.18Å; F353-V355 PolarHBondContact O-N 3.23Å; V355-L357 VanDerWaalsContact C-N 3.34Å; V355-M358 PolarHBondContact O-N 3.03Å; V355-L395 HydrophobicContact CG2-CD1 4.4Å
356	P	94.9	Very high	91.5	Very high	4 Å²	4	27.3 Å²	27.3	3%	0.026	17%	0.171	C	C	.	.	H	α-helix	trans	-65.8	-33.3	170.9	-24.7	36.8	0	0	0	113.5	L330 I333 M334 A352 F353 M358 R359 H360	L330-P356 HydrophobicContact CD2-CG 3.62Å; I333-P356 HydrophobicContact CB-CB 3.94Å; I333-P356 HydrophobicContact CB-CG 3.9Å; I333-P356 HydrophobicContact CD1-CG 4.11Å; I333-P356 HydrophobicContact CG2-CB 3.39Å; I333-P356 HydrophobicContact CG2-CG 3.86Å; M334-P356 HydrophobicContact CG-CB 4.03Å; M334-P356 HydrophobicContact CG-CG 4.17Å; M334-P356 HydrophobicContact SD-CB 3.92Å; A352-P356 WeakPolarHBondContact O-CD 3.39Å; A352-P356 WeakPolarHBondContact O-CG 3.25Å; F353-P356 WeakPolarHBondContact O-CD 3.29Å; P356-M358 VanDerWaalsContact C-N 3.34Å; P356-M358 PolarHBondContact O-N 2.97Å; P356-R359 WeakPolarHBondContact O-CB 3.42Å; P356-R359 PolarHBondContact O-N 3.33Å; P356-R359 VanDerWaalsContact O-N 3.1Å; P356-H360 PolarHBondContact O-N 3.17Å
357	L	95.6	Very high	92.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-58.4	-43.9	175.5	170.3	57.9	0	0	0	111.8	F353 L354 V355 R359 H360 L361 A375 L377 I425 Y452	F353-L357 VanDerWaalsContact O-CB 3.31Å; F353-L357 WeakPolarHBondContact O-CB 3.42Å; F353-L357 PolarHBondContact O-N 2.82Å; F353-L357 VanDerWaalsContact O-N 3.1Å; L354-L357 HydrophobicContact CD2-CD2 4.14Å; L354-L357 WeakPolarHBondContact O-CB 3.32Å; L354-L357 PolarHBondContact O-N 2.77Å; V355-L357 VanDerWaalsContact C-N 3.34Å; L357-R359 PolarHBondContact O-N 2.71Å; L357-H360 WeakPolarHBondContact O-CB 3.45Å; L357-H360 PolarHBondContact O-N 3.38Å; L357-L361 HydrophobicContact CD1-CD1 4.09Å; L357-L361 HydrophobicContact CD1-CD2 4.3Å; L357-L361 HydrophobicContact CD1-CG 3.94Å; L357-L361 HydrophobicContact CG-CD1 4.19Å; L357-L361 HydrophobicContact CG-CG 4.48Å; L357-L361 WeakPolarHBondContact O-CG 3.22Å; L357-L361 PolarHBondContact O-N 3.25Å; L357-A375 HydrophobicContact CD1-CB 3.31Å; L357-A375 HydrophobicContact CD2-CB 4.07Å; L357-A375 HydrophobicContact CG-CB 4.34Å; L357-L377 HydrophobicContact CD2-CD1 4.21Å; L357-L377 HydrophobicContact CD2-CD2 4.2Å; L357-I425 HydrophobicContact CD2-CD1 3.93Å; L357-I425 HydrophobicContact CD2-CG1 4.25Å; L357-I425 HydrophobicContact CD2-CG2 4.18Å; L357-I425 HydrophobicContact CG-CD1 4.42Å; L357-Y452 HydrophobicContact CB-CD1 4.38Å; L357-Y452 HydrophobicContact CB-CE1 3.86Å; L357-Y452 HydrophobicContact CD1-CD1 3.82Å; L357-Y452 HydrophobicContact CD1-CE1 4.18Å; L357-Y452 HydrophobicContact CD1-CG 4.13Å; L357-Y452 HydrophobicContact CD2-CE1 4.44Å; L357-Y452 HydrophobicContact CG-CD1 4.47Å; L357-Y452 HydrophobicContact CG-CE1 4.38Å
358	M	94.6	Very high	92.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-56.5	-41.4	175.1	-62.5	-55.7	122.6	0	0	111.6	L310 L354 V355 P356 L361 E362 T392 L395 A399 I425	L310-M358 HydrophobicContact CD1-CB 4.23Å; L310-M358 HydrophobicContact CD1-CG 3.96Å; L310-M358 HydrophobicContact CD2-CB 3.72Å; L310-M358 HydrophobicContact CD2-CG 4.28Å; L354-M358 WeakPolarHBondContact O-CG 3.26Å; L354-M358 PolarHBondContact O-N 3.33Å; L354-M358 VanDerWaalsContact O-N 3.13Å; V355-M358 PolarHBondContact O-N 3.03Å; P356-M358 VanDerWaalsContact C-N 3.34Å; P356-M358 PolarHBondContact O-N 2.97Å; M358-L361 PolarHBondContact O-N 3.27Å; M358-E362 WeakPolarHBondContact O-CG 3.14Å; M358-E362 PolarHBondContact O-N 2.89Å; M358-T392 HydrophobicContact CE-CG2 4.44Å; M358-L395 HydrophobicContact CE-CB 3.99Å; M358-L395 HydrophobicContact CG-CB 3.96Å; M358-L395 HydrophobicContact SD-CB 3.91Å; M358-A399 HydrophobicContact CB-CB 4.21Å; M358-A399 HydrophobicContact CG-CB 4.47Å; M358-A399 HydrophobicContact SD-CB 3.81Å; M358-I425 HydrophobicContact CE-CD1 3.77Å
359	R	92.6	Very high	92.8	Very high	57 Å²	57	35.9 Å²	35.9	22%	0.215	20%	0.204	C	C	.	.	H	α-helix	trans	-67	-34.7	175.8	-156.8	91.9	175	84	9.5	113	F262 G305 M334 P356 L357 E362 H363	F262-R359 HydrophobicContact CB-CG 4.24Å; F262-R359 HydrophobicContact CG-CG 4.31Å; G305-R359 PolarHBondContact O-NE 2.9Å; M334-R359 HydrophobicContact CE-CB 4.13Å; M334-R359 HydrophobicContact CE-CG 3.78Å; M334-R359 HydrophobicContact SD-CB 3.82Å; M334-R359 HydrophobicContact SD-CG 4.06Å; P356-R359 WeakPolarHBondContact O-CB 3.42Å; P356-R359 PolarHBondContact O-N 3.33Å; P356-R359 VanDerWaalsContact O-N 3.1Å; L357-R359 PolarHBondContact O-N 2.71Å; R359-E362 WeakPolarHBondContact CD-OE2 3.31Å; R359-E362 IonicContact CZ-OE2 2.79Å; R359-E362 IonicContact NE-OE2 3.59Å; R359-E362 IonicContact NH1-OE2 3.22Å; R359-E362 PolarHBondContact NH1-OE2 3.33Å; R359-H363 PolarHBondContact NH1-CE1 3.15Å; R359-H363 PolarHBondContact O-ND1 3.36Å
360	H	94	Very high	92.5	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-66	-38.9	176.1	-179.2	93.8	0	0	0	111.5	F258 F262 P356 L357 Q364 S451	F258-H360 AromaticContact CD2-CE1 3.64Å; F258-H360 AromaticContact CE2-CE1 3.69Å; F262-H360 HydrophobicContact CE2-CB 4.01Å; F262-H360 AromaticContact CE2-ND1 3.92Å; F262-H360 HydrophobicContact CZ-CB 4.45Å; P356-H360 PolarHBondContact O-N 3.17Å; L357-H360 WeakPolarHBondContact O-CB 3.45Å; L357-H360 PolarHBondContact O-N 3.38Å; H360-Q364 PolarHBondContact NE2-NE2 2.78Å; H360-Q364 VanDerWaalsContact NE2-NE2 3.11Å; H360-S451 PolarHBondContact NE2-OG 2.81Å
361	L	93.7	Very high	92.4	Very high	15 Å²	15	39.1 Å²	39.1	8%	0.079	24%	0.237	C	C	.	.	H	α-helix	trans	-68.2	-44.2	174.7	-63	172.3	0	0	0	112	L357 M358 H363 Q364 I374 A401 E424 I425	L357-L361 HydrophobicContact CD1-CD1 4.09Å; L357-L361 HydrophobicContact CD1-CD2 4.3Å; L357-L361 HydrophobicContact CD1-CG 3.94Å; L357-L361 HydrophobicContact CG-CD1 4.19Å; L357-L361 HydrophobicContact CG-CG 4.48Å; L357-L361 WeakPolarHBondContact O-CG 3.22Å; L357-L361 PolarHBondContact O-N 3.25Å; M358-L361 PolarHBondContact O-N 3.27Å; L361-H363 PolarHBondContact O-N 2.91Å; L361-Q364 PolarHBondContact O-N 3Å; L361-I374 HydrophobicContact CD2-CB 3.67Å; L361-I374 HydrophobicContact CD2-CD1 3.9Å; L361-I374 HydrophobicContact CD2-CG1 4.39Å; L361-I374 HydrophobicContact CD2-CG2 3.66Å; L361-A401 HydrophobicContact CD1-CB 3.9Å; L361-E424 HydrophobicContact CD2-CB 4.03Å; L361-I425 HydrophobicContact CD1-CD1 3.69Å; L361-I425 HydrophobicContact CD1-CG1 3.76Å
362	E	90.9	Very high	92.3	Very high	63 Å²	63	38.5 Å²	38.5	29%	0.294	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-16.8	176.2	-78	175	175.1	0	0	114.7	S307 M358 R359	S307-E362 WeakPolarHBondContact CB-OE1 3.32Å; S307-E362 PolarHBondContact OG-OE1 3.04Å; M358-E362 WeakPolarHBondContact O-CG 3.14Å; M358-E362 PolarHBondContact O-N 2.89Å; R359-E362 WeakPolarHBondContact CD-OE2 3.31Å; R359-E362 IonicContact CZ-OE2 2.79Å; R359-E362 IonicContact NE-OE2 3.59Å; R359-E362 IonicContact NH1-OE2 3.22Å; R359-E362 PolarHBondContact NH1-OE2 3.33Å
363	H	90.7	Very high	92.3	Very high	71 Å²	71	38.6 Å²	38.6	33%	0.329	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	12	-178.8	-67.4	93.5	0	0	0	114.4	F262 R359 L361	F262-H363 HydrophobicContact CD1-CB 4.42Å; F262-H363 AromaticContact CD1-CD2 4Å; F262-H363 AromaticContact CD1-CE1 3.35Å; F262-H363 WeakPolarHBondContact CD1-CE1 3.16Å; F262-H363 AromaticContact CD1-CG 3.78Å; F262-H363 AromaticContact CD1-ND1 3.39Å; F262-H363 WeakPolarHBondContact CD1-ND1 3.44Å; F262-H363 AromaticContact CD1-NE2 3.73Å; F262-H363 HydrophobicContact CE1-CB 3.51Å; F262-H363 AromaticContact CE1-CD2 3.86Å; F262-H363 AromaticContact CE1-CE1 3.74Å; F262-H363 AromaticContact CE1-CG 3.33Å; F262-H363 AromaticContact CE1-ND1 3.29Å; F262-H363 VanDerWaalsContact CE1-ND1 3.29Å; F262-H363 WeakPolarHBondContact CE1-ND1 3.4Å; F262-H363 HydrophobicContact CZ-CB 4.04Å; R359-H363 PolarHBondContact NH1-CE1 3.15Å; R359-H363 PolarHBondContact O-ND1 3.36Å; L361-H363 PolarHBondContact O-N 2.91Å
364	Q	92	Very high	92.4	Very high	41 Å²	41	38.8 Å²	38.8	19%	0.192	24%	0.236	C	C	.	.	S	Bend	trans	-112.1	157.4	171.5	-65.3	-158.3	19.2	0	0	111.7	H360 L361 I374 S451	H360-Q364 PolarHBondContact NE2-NE2 2.78Å; H360-Q364 VanDerWaalsContact NE2-NE2 3.11Å; L361-Q364 PolarHBondContact O-N 3Å; Q364-I374 HydrophobicContact CB-CD1 4.11Å; Q364-I374 HydrophobicContact CG-CG2 4.49Å; Q364-S451 PolarHBondContact NE2-OG 3.48Å
365	A	91.3	Very high	92.4	Very high	64 Å²	64	38.8 Å²	38.8	53%	0.529	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-60.4	148.9	167.1	0	0	0	0	0	110.2	R449	A365-R449 PolarHBondContact O-NH2 3.34Å
366	P	91.1	Very high	92.6	Very high	106 Å²	106	38.8 Å²	38.8	69%	0.688	24%	0.235	S	C	*	.	P	Polyproline II helix	trans	-58.7	169.1	172.4	26.2	-35.1	0	0	0	112	R449	P366-R449 PolarHBondContact O-NH1 2.88Å
367	L	91.3	Very high	92.7	Very high	33 Å²	33	38.6 Å²	38.6	17%	0.173	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-74	133.4	177.2	-62.1	-176.9	0	0	0	111.7	D371 I374 A423 E424	L367-D371 HydrophobicContact CB-CB 4.22Å; L367-D371 HydrophobicContact CD2-CB 3.9Å; L367-I374 HydrophobicContact CD2-CD1 4.19Å; L367-I374 HydrophobicContact CD2-CG1 4.05Å; L367-A423 VanDerWaalsContact CD1-C 3.44Å; L367-E424 HydrophobicContact CD1-CG 4.07Å; L367-E424 WeakPolarHBondContact CD1-OE1 3.41Å; L367-E424 HydrophobicContact CG-CG 4.02Å; L367-E424 VanDerWaalsContact CG-OE1 3.31Å; L367-E424 WeakPolarHBondContact CG-OE1 3.43Å
368	N	90.1	Very high	92.8	Very high	102 Å²	102	38.7 Å²	38.7	55%	0.545	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-85	158.9	166.9	-55.2	-81.4	0	0	0	110	G370 D371	N368-G370 PolarHBondContact O-N 3Å; N368-G370 VanDerWaalsContact O-N 3.08Å; N368-D371 WeakPolarHBondContact CB-OD2 3.33Å; N368-D371 PolarHBondContact N-OD2 3.19Å; N368-D371 PolarHBondContact ND2-OD2 3.39Å; N368-D371 WeakPolarHBondContact O-CB 3.43Å; N368-D371 PolarHBondContact O-N 3.21Å
369	P	86.4	Confident	92.7	Very high	140 Å²	140	38.7 Å²	38.7	91%	0.909	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	116.2	172.5	-25	35.4	0	0	0	111.8
370	G	85.3	Confident	92.6	Very high	66 Å²	66	36.2 Å²	36.2	68%	0.68	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	99.1	-6.7	-176.9	0	0	0	0	0	115.5	N368 N446	N368-G370 PolarHBondContact O-N 3Å; N368-G370 VanDerWaalsContact O-N 3.08Å; G370-N446 PolarHBondContact O-ND2 2.65Å
371	D	90.5	Very high	92.3	Very high	44 Å²	44	36.9 Å²	36.9	24%	0.235	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-65.5	137.2	172.3	-85.5	-24.9	0	0	0	111.8	L367 N368 R449	L367-D371 HydrophobicContact CB-CB 4.22Å; L367-D371 HydrophobicContact CD2-CB 3.9Å; N368-D371 WeakPolarHBondContact CB-OD2 3.33Å; N368-D371 PolarHBondContact N-OD2 3.19Å; N368-D371 PolarHBondContact ND2-OD2 3.39Å; N368-D371 WeakPolarHBondContact O-CB 3.43Å; N368-D371 PolarHBondContact O-N 3.21Å; D371-R449 VanDerWaalsContact OD1-CD 3.29Å; D371-R449 WeakPolarHBondContact OD1-CD 3.47Å; D371-R449 VanDerWaalsContact OD2-CD 3.29Å; D371-R449 WeakPolarHBondContact OD2-CD 3.33Å; D371-R449 IonicContact OD2-CZ 3.73Å; D371-R449 IonicContact OD2-NE 3.6Å; D371-R449 IonicContact OD2-NH1 2.71Å; D371-R449 PolarHBondContact OD2-NH1 3.12Å
372	G	92	Very high	92	Very high	1 Å²	1	37 Å²	37	1%	0.01	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-75	171.4	166.1	0	0	0	0	0	112.8	N446	G372-N446 WeakPolarHBondContact CA-O 3.31Å; G372-N446 PolarHBondContact N-OD1 3.41Å
373	P	95.8	Very high	91.7	Very high	2 Å²	2	35 Å²	35	1%	0.013	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-60	151.2	178.7	29	-39.9	0	0	0	112.8	A423 I426 T445 N446 L447 R449 C450	P373-A423 VanDerWaalsContact CA-O 3.32Å; P373-A423 WeakPolarHBondContact CA-O 3.21Å; P373-A423 WeakPolarHBondContact CB-O 3.25Å; P373-I426 HydrophobicContact CB-CD1 4.28Å; P373-I426 HydrophobicContact CB-CG1 4.03Å; P373-I426 HydrophobicContact CG-CB 4.47Å; P373-I426 HydrophobicContact CG-CD1 3.7Å; P373-I426 HydrophobicContact CG-CG1 3.96Å; P373-T445 WeakPolarHBondContact CD-OG1 3.37Å; P373-N446 WeakPolarHBondContact CD-O 3.16Å; P373-L447 HydrophobicContact CG-CD2 4.25Å; P373-R449 CarbonylContact O-C 3.59Å; P373-R449 VanDerWaalsContact O-C 3.3Å; P373-C450 WeakPolarHBondContact O-CA 3.3Å; P373-C450 PolarHBondContact O-N 2.93Å; P373-C450 VanDerWaalsContact O-N 3.13Å
374	I	96.7	Very high	91.5	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.021	21%	0.207	C	C	.	.	S	Bend	trans	-77.9	-31	170.2	-62.3	166.6	0	0	0	109.8	L361 Q364 L367 E424 C450 S451 Y452	L361-I374 HydrophobicContact CD2-CB 3.67Å; L361-I374 HydrophobicContact CD2-CD1 3.9Å; L361-I374 HydrophobicContact CD2-CG1 4.39Å; L361-I374 HydrophobicContact CD2-CG2 3.66Å; Q364-I374 HydrophobicContact CB-CD1 4.11Å; Q364-I374 HydrophobicContact CG-CG2 4.49Å; L367-I374 HydrophobicContact CD2-CD1 4.19Å; L367-I374 HydrophobicContact CD2-CG1 4.05Å; I374-E424 HydrophobicContact CD1-CG 4.22Å; I374-E424 PolarHBondContact N-O 2.95Å; I374-C450 WeakPolarHBondContact O-CA 3.21Å; I374-S451 WeakPolarHBondContact CG2-OG 3.44Å; I374-S451 PolarHBondContact O-N 3.12Å; I374-S451 PolarHBondContact O-OG 3.41Å; I374-Y452 PolarHBondContact O-N 2.85Å
375	A	97.3	Very high	91.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	142.3	-178.4	0	0	0	0	0	114.8	L357 E424 I425 I426 Y452	L357-A375 HydrophobicContact CD1-CB 3.31Å; L357-A375 HydrophobicContact CD2-CB 4.07Å; L357-A375 HydrophobicContact CG-CB 4.34Å; A375-E424 PolarHBondContact N-O 3.04Å; A375-I425 HydrophobicContact CB-CG2 4.48Å; A375-I425 WeakPolarHBondContact O-CA 3.43Å; A375-I426 PolarHBondContact O-N 3.4Å; A375-Y452 CarbonylContact C-O 3.33Å; A375-Y452 WeakPolarHBondContact CA-O 3.26Å; A375-Y452 HydrophobicContact CB-CD1 4.22Å
376	L	97.6	Very high	91.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	119.2	-179.9	-170.6	68.7	0	0	0	110.7	L378 I426 C428 M433 L447 C450 Y452 V453 V454 I473	L376-L378 HydrophobicContact CD2-CD1 4.27Å; L376-L378 HydrophobicContact CD2-CG 4.39Å; L376-L378 HydrophobicContact CG-CG 4.35Å; L376-I426 HydrophobicContact CD1-CB 3.79Å; L376-I426 HydrophobicContact CD1-CG2 3.82Å; L376-C428 VanDerWaalsContact CD1-SG 3.58Å; L376-M433 HydrophobicContact CD1-CE 3.96Å; L376-M433 HydrophobicContact CD1-CG 4.3Å; L376-M433 HydrophobicContact CD1-SD 4.01Å; L376-L447 HydrophobicContact CD2-CD1 4.43Å; L376-L447 HydrophobicContact CD2-CD2 4.01Å; L376-C450 VanDerWaalsContact CB-SG 3.6Å; L376-Y452 PolarHBondContact N-O 3.32Å; L376-V453 WeakPolarHBondContact O-CA 3.44Å; L376-V454 PolarHBondContact O-N 2.75Å; L376-I473 HydrophobicContact CD2-CG2 3.38Å
377	L	97.8	Very high	91.5	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	108.7	-179.8	-48.7	-176.1	0	0	0	108.8	F353 L354 L357 I388 I425 I426 V427 C428 V454	F353-L377 HydrophobicContact CD2-CD2 4.4Å; F353-L377 HydrophobicContact CE2-CD1 4.25Å; F353-L377 HydrophobicContact CE2-CD2 4.49Å; L354-L377 HydrophobicContact CD2-CD1 3.53Å; L357-L377 HydrophobicContact CD2-CD1 4.21Å; L357-L377 HydrophobicContact CD2-CD2 4.2Å; L377-I388 HydrophobicContact CB-CG2 4.46Å; L377-I388 HydrophobicContact CD1-CG2 3.86Å; L377-I425 HydrophobicContact CD1-CG2 3.9Å; L377-I425 HydrophobicContact CG-CG2 4.05Å; L377-I426 PolarHBondContact N-O 2.93Å; L377-V427 HydrophobicContact CB-CG1 4.28Å; L377-V427 HydrophobicContact CB-CG2 4.37Å; L377-V427 HydrophobicContact CD1-CG2 4.08Å; L377-V427 CarbonylContact O-C 3.59Å; L377-V427 WeakPolarHBondContact O-CA 3.45Å; L377-C428 PolarHBondContact O-N 3.28Å; L377-V454 HydrophobicContact CD2-CB 3.59Å; L377-V454 HydrophobicContact CD2-CG2 3.41Å; L377-V454 VanDerWaalsContact CD2-CG2 3.41Å
378	L	96.9	Very high	91.6	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	131.1	-177.5	-71.8	156.3	0	0	0	110.8	L376 C428 P430 V453 V454 L455 D456 M461 I473	L376-L378 HydrophobicContact CD2-CD1 4.27Å; L376-L378 HydrophobicContact CD2-CG 4.39Å; L376-L378 HydrophobicContact CG-CG 4.35Å; L378-C428 WeakPolarHBondContact CA-O 3.41Å; L378-C428 WeakPolarHBondContact CD2-SG 3.36Å; L378-P430 HydrophobicContact CD2-CB 4.39Å; L378-P430 HydrophobicContact CD2-CG 4.04Å; L378-V453 HydrophobicContact CD1-CG1 4.46Å; L378-V454 PolarHBondContact N-O 3.41Å; L378-L455 HydrophobicContact CB-CD2 3.91Å; L378-L455 HydrophobicContact CD1-CD2 3.46Å; L378-L455 VanDerWaalsContact CD1-CD2 3.46Å; L378-L455 HydrophobicContact CG-CD2 4.31Å; L378-D456 PolarHBondContact O-N 3.17Å; L378-M461 HydrophobicContact CB-CE 4.18Å; L378-M461 HydrophobicContact CB-SD 4.09Å; L378-I473 HydrophobicContact CD1-CG2 4.16Å; L378-I473 HydrophobicContact CD2-CD1 3.91Å
379	A	93.7	Very high	91.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.14	C	C	.	.			trans	-131.6	152.4	178.9	0	0	0	0	0	111.4	L384 A385 I388 C428 T429 P430	A379-L384 HydrophobicContact CB-CB 4.24Å; A379-L384 HydrophobicContact CB-CD2 4.08Å; A379-L384 HydrophobicContact CB-CG 4.18Å; A379-A385 HydrophobicContact CB-CB 4.21Å; A379-I388 HydrophobicContact CB-CD1 4.21Å; A379-C428 PolarHBondContact N-O 3.29Å; A379-T429 WeakPolarHBondContact O-CA 3.47Å; A379-P430 VanDerWaalsContact O-CD 3.27Å; A379-P430 WeakPolarHBondContact O-CD 3.38Å
380	P	89.8	Confident	92.2	Very high	6 Å²	6	22.6 Å²	22.6	4%	0.039	13%	0.125	C	C	.	.	S	Bend	trans	-75.8	-28.8	-174.9	-4	19.2	0	0	0	113.4	D456 E457 R460 M461 L464 F466	P380-D456 WeakPolarHBondContact CD-O 3.44Å; P380-E457 HydrophobicContact CG-CB 3.75Å; P380-E457 WeakPolarHBondContact CG-O 3.24Å; P380-R460 HydrophobicContact CB-CB 4.05Å; P380-R460 HydrophobicContact CG-CB 3.8Å; P380-M461 HydrophobicContact CB-CG 3.83Å; P380-M461 HydrophobicContact CG-CG 3.8Å; P380-L464 HydrophobicContact CB-CD1 3.95Å; P380-F466 WeakPolarHBondContact O-CE2 3.36Å
381	T	86.7	Confident	92.6	Very high	15 Å²	15	21.2 Å²	21.2	9%	0.092	10%	0.101	C	C	.	.	S	Bend	trans	-131.1	156.8	-176.5	88.8	0	0	0	0	112.2	E383 L384 A385 L464 R608	T381-E383 WeakPolarHBondContact CB-OE2 3.28Å; T381-E383 PolarHBondContact O-N 3.07Å; T381-E383 PolarHBondContact OG1-N 3.41Å; T381-E383 PolarHBondContact OG1-OE2 2.92Å; T381-L384 PolarHBondContact O-N 2.85Å; T381-L384 PolarHBondContact OG1-N 3.12Å; T381-A385 PolarHBondContact O-N 3.33Å; T381-L464 HydrophobicContact CG2-CD1 4.5Å; T381-R608 HydrophobicContact CG2-CB 3.99Å
382	R	87.4	Confident	92.8	Very high	17 Å²	17	19.1 Å²	19.1	6%	0.064	9%	0.09	C	C	.	.	H	α-helix	trans	-52.8	-40.7	173	164.1	-170.3	-176.3	120	-6.8	111.7	A385 L386 Y407 G408 G409 Q582 D586	R382-A385 PolarHBondContact O-N 3.37Å; R382-L386 HydrophobicContact CG-CD1 3.85Å; R382-L386 HydrophobicContact CG-CG 4.45Å; R382-L386 WeakPolarHBondContact O-CB 3.17Å; R382-L386 WeakPolarHBondContact O-CG 3.45Å; R382-L386 PolarHBondContact O-N 2.9Å; R382-Y407 HydrophobicContact CB-CD2 4.26Å; R382-Y407 HydrophobicContact CB-CG 4.34Å; R382-Y407 HydrophobicContact CG-CD2 3.69Å; R382-Y407 HydrophobicContact CG-CE2 4.06Å; R382-Y407 HydrophobicContact CG-CG 4.05Å; R382-Y407 VanDerWaalsContact NH1-CE2 3.31Å; R382-G408 PolarHBondContact NH1-O 2.71Å; R382-G409 PolarHBondContact NH1-O 3.09Å; R382-G409 VanDerWaalsContact NH1-O 3.13Å; R382-Q582 VanDerWaalsContact CD-CD 3.49Å; R382-Q582 VanDerWaalsContact CD-OE1 3.28Å; R382-D586 IonicContact CZ-OD1 2.65Å; R382-D586 IonicContact CZ-OD2 3.84Å; R382-D586 IonicContact NE-OD1 3.57Å; R382-D586 PolarHBondContact NE-OD1 3.47Å; R382-D586 IonicContact NE-OD2 2.71Å; R382-D586 IonicContact NH2-OD1 3.08Å; R382-D586 IonicContact NH2-OD2 3.43Å; R382-D586 PolarHBondContact NH2-OD2 2.86Å
383	E	84.9	Confident	92.9	Very high	20 Å²	20	25.3 Å²	25.3	9%	0.093	12%	0.116	C	C	.	.	H	α-helix	trans	-69.1	-41.2	-173.4	-59.2	67.8	-132.1	0	0	110.9	T381 Q387 R585 I589	T381-E383 WeakPolarHBondContact CB-OE2 3.28Å; T381-E383 PolarHBondContact O-N 3.07Å; T381-E383 PolarHBondContact OG1-N 3.41Å; T381-E383 PolarHBondContact OG1-OE2 2.92Å; E383-Q387 PolarHBondContact O-N 2.86Å; E383-R585 IonicContact OE1-CZ 2.7Å; E383-R585 IonicContact OE1-NH1 2.69Å; E383-R585 PolarHBondContact OE1-NH1 3.31Å; E383-R585 IonicContact OE1-NH2 3.22Å; E383-R585 PolarHBondContact OE1-NH2 2.65Å; E383-R585 IonicContact OE2-CZ 3.82Å; E383-R585 IonicContact OE2-NH1 3.92Å; E383-R585 IonicContact OE2-NH2 3.42Å; E383-R585 PolarHBondContact OE2-NH2 2.98Å; E383-I589 HydrophobicContact CG-CD1 4.06Å
384	L	87.7	Confident	92.7	Very high	11 Å²	11	28.1 Å²	28.1	6%	0.058	13%	0.128	C	C	.	.	H	α-helix	trans	-70.4	-39.3	173.2	-171.5	66.9	0	0	0	111.6	A379 T381 L386 Q387 I388 E457	A379-L384 HydrophobicContact CB-CB 4.24Å; A379-L384 HydrophobicContact CB-CD2 4.08Å; A379-L384 HydrophobicContact CB-CG 4.18Å; T381-L384 PolarHBondContact O-N 2.85Å; T381-L384 PolarHBondContact OG1-N 3.12Å; L384-L386 VanDerWaalsContact C-N 3.35Å; L384-L386 PolarHBondContact O-N 2.91Å; L384-Q387 PolarHBondContact O-N 3.26Å; L384-I388 HydrophobicContact CD1-CD1 4.45Å; L384-I388 HydrophobicContact CD1-CG1 4.5Å; L384-I388 HydrophobicContact CD2-CD1 4.37Å; L384-I388 HydrophobicContact CG-CD1 3.94Å; L384-I388 HydrophobicContact CG-CG1 4.38Å; L384-I388 WeakPolarHBondContact O-CG1 3.49Å; L384-I388 PolarHBondContact O-N 3.45Å; L384-E457 HydrophobicContact CD2-CB 3.88Å; L384-E457 HydrophobicContact CD2-CG 3.79Å
385	A	92.8	Very high	92.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.3	-44.6	175.2	0	0	0	0	0	111.7	A379 T381 R382 I388 F389 V427 T429	A379-A385 HydrophobicContact CB-CB 4.21Å; T381-A385 PolarHBondContact O-N 3.33Å; R382-A385 PolarHBondContact O-N 3.37Å; A385-I388 PolarHBondContact O-N 3.04Å; A385-F389 WeakPolarHBondContact O-CB 3.41Å; A385-F389 PolarHBondContact O-N 3.36Å; A385-V427 HydrophobicContact CB-CG1 4.34Å; A385-V427 WeakPolarHBondContact O-CG1 3.49Å; A385-T429 HydrophobicContact CB-CG2 4.45Å
386	L	91.6	Very high	92.2	Very high	56 Å²	56	28.5 Å²	28.5	29%	0.293	13%	0.131	S	C	.	.	H	α-helix	trans	-64.8	-37	174.9	-74.9	171.2	0	0	0	112.6	R382 L384 K390 Y407	R382-L386 HydrophobicContact CG-CD1 3.85Å; R382-L386 HydrophobicContact CG-CG 4.45Å; R382-L386 WeakPolarHBondContact O-CB 3.17Å; R382-L386 WeakPolarHBondContact O-CG 3.45Å; R382-L386 PolarHBondContact O-N 2.9Å; L384-L386 VanDerWaalsContact C-N 3.35Å; L384-L386 PolarHBondContact O-N 2.91Å; L386-K390 WeakPolarHBondContact O-CB 3.2Å; L386-K390 PolarHBondContact O-N 3.44Å; L386-Y407 HydrophobicContact CD2-CD1 4.45Å; L386-Y407 HydrophobicContact CD2-CE1 3.6Å; L386-Y407 HydrophobicContact CG-CE1 4.04Å
387	Q	89.4	Confident	91.6	Very high	52 Å²	52	35.8 Å²	35.8	24%	0.243	17%	0.165	C	C	.	.	H	α-helix	trans	-64.5	-50.8	173.7	174.6	162.5	9.7	0	0	111.9	E383 L384 F389 K390 E391 D611	E383-Q387 PolarHBondContact O-N 2.86Å; L384-Q387 PolarHBondContact O-N 3.26Å; Q387-F389 VanDerWaalsContact C-N 3.31Å; Q387-F389 PolarHBondContact O-N 2.76Å; Q387-K390 PolarHBondContact O-N 2.88Å; Q387-E391 PolarHBondContact O-N 3.33Å; Q387-D611 PolarHBondContact NE2-OD2 3.49Å; Q387-D611 VanDerWaalsContact OE1-CB 3.31Å
388	I	94.2	Very high	91.1	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.01	17%	0.168	C	C	.	.	H	α-helix	trans	-60.7	-43.4	177.9	-66	169.5	0	0	0	109.8	T350 F353 L377 A379 L384 A385 K390 E391 T392 V427 D456	T350-I388 HydrophobicContact CG2-CB 4.49Å; T350-I388 HydrophobicContact CG2-CG1 4.04Å; T350-I388 HydrophobicContact CG2-CG2 4.41Å; F353-I388 HydrophobicContact CE2-CG2 4.21Å; F353-I388 HydrophobicContact CZ-CD1 4.33Å; F353-I388 HydrophobicContact CZ-CG2 4.5Å; L377-I388 HydrophobicContact CB-CG2 4.46Å; L377-I388 HydrophobicContact CD1-CG2 3.86Å; A379-I388 HydrophobicContact CB-CD1 4.21Å; L384-I388 HydrophobicContact CD1-CD1 4.45Å; L384-I388 HydrophobicContact CD1-CG1 4.5Å; L384-I388 HydrophobicContact CD2-CD1 4.37Å; L384-I388 HydrophobicContact CG-CD1 3.94Å; L384-I388 HydrophobicContact CG-CG1 4.38Å; L384-I388 WeakPolarHBondContact O-CG1 3.49Å; L384-I388 PolarHBondContact O-N 3.45Å; A385-I388 PolarHBondContact O-N 3.04Å; I388-K390 PolarHBondContact O-N 3.28Å; I388-E391 PolarHBondContact O-N 3.46Å; I388-T392 VanDerWaalsContact O-CB 3.31Å; I388-T392 WeakPolarHBondContact O-CB 3.38Å; I388-T392 PolarHBondContact O-N 2.88Å; I388-T392 PolarHBondContact O-OG1 2.91Å; I388-V427 HydrophobicContact CB-CG1 3.86Å; I388-V427 HydrophobicContact CG2-CG1 3.72Å; I388-V427 HydrophobicContact CG2-CG2 4.38Å; I388-D456 HydrophobicContact CD1-CB 4.09Å
389	F	95.4	Very high	90.5	Very high	40 Å²	40	37.1 Å²	37.1	18%	0.175	18%	0.176	C	C	.	.	H	α-helix	trans	-60.1	-43	176.3	174.4	-112.9	0	0	0	113	A385 Q387 E391 T392 K393 A403 C405 V427	A385-F389 WeakPolarHBondContact O-CB 3.41Å; A385-F389 PolarHBondContact O-N 3.36Å; Q387-F389 VanDerWaalsContact C-N 3.31Å; Q387-F389 PolarHBondContact O-N 2.76Å; F389-E391 PolarHBondContact O-N 3.4Å; F389-T392 PolarHBondContact O-N 3.21Å; F389-K393 HydrophobicContact CZ-CD 4.42Å; F389-K393 WeakPolarHBondContact O-CB 3.43Å; F389-K393 PolarHBondContact O-N 3.02Å; F389-A403 HydrophobicContact CD2-CB 3.98Å; F389-A403 HydrophobicContact CE2-CB 3.86Å; F389-C405 HydrophobicContact CB-CB 4.03Å; F389-C405 HydrophobicContact CD1-CB 3.84Å; F389-C405 HydrophobicContact CD2-CB 3.76Å; F389-C405 HydrophobicContact CE1-CB 4.18Å; F389-C405 HydrophobicContact CE2-CB 4.1Å; F389-C405 HydrophobicContact CG-CB 3.6Å; F389-C405 HydrophobicContact CZ-CB 4.29Å; F389-V427 HydrophobicContact CB-CB 4.21Å; F389-V427 HydrophobicContact CB-CG1 4.39Å; F389-V427 HydrophobicContact CB-CG2 4.2Å; F389-V427 HydrophobicContact CD2-CG2 4.39Å
390	K	93.3	Very high	90.3	Very high	137 Å²	137	44.4 Å²	44.4	60%	0.596	22%	0.215	S	C	*	.	H	α-helix	trans	-59.8	-45.7	177.1	-175.4	-178.5	178.7	-176.2	0	111.8	L386 Q387 I388 K394	L386-K390 WeakPolarHBondContact O-CB 3.2Å; L386-K390 PolarHBondContact O-N 3.44Å; Q387-K390 PolarHBondContact O-N 2.88Å; I388-K390 PolarHBondContact O-N 3.28Å; K390-K394 PolarHBondContact O-N 3.49Å
391	E	92.5	Very high	90.4	Very high	37 Å²	37	44.9 Å²	44.9	17%	0.173	22%	0.22	C	C	.	.	H	α-helix	trans	-72.1	-36.2	178.2	-60.2	-52.2	120.5	0	0	112.1	L354 Q387 I388 F389 K393 K394 L395	L354-E391 HydrophobicContact CD1-CB 4.05Å; Q387-E391 PolarHBondContact O-N 3.33Å; I388-E391 PolarHBondContact O-N 3.46Å; F389-E391 PolarHBondContact O-N 3.4Å; E391-K393 PolarHBondContact O-N 2.82Å; E391-K394 PolarHBondContact O-N 3.29Å; E391-K394 WeakPolarHBondContact OE1-CE 3.31Å; E391-K394 IonicContact OE1-NZ 3.49Å; E391-K394 PolarHBondContact OE1-NZ 3.42Å; E391-K394 WeakPolarHBondContact OE2-CD 3.25Å; E391-K394 WeakPolarHBondContact OE2-CE 3.49Å; E391-K394 IonicContact OE2-NZ 3.29Å; E391-K394 PolarHBondContact OE2-NZ 3.11Å; E391-L395 PolarHBondContact O-N 3.03Å
392	T	95.6	Very high	90.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-58.4	-48.5	172.7	-54.9	0	0	0	0	110.7	L354 M358 I388 F389 K394 L395 C396 A403 I425	L354-T392 HydrophobicContact CD2-CG2 4.22Å; L354-T392 VanDerWaalsContact CD2-OG1 3.29Å; L354-T392 WeakPolarHBondContact CD2-OG1 3.21Å; M358-T392 HydrophobicContact CE-CG2 4.44Å; I388-T392 VanDerWaalsContact O-CB 3.31Å; I388-T392 WeakPolarHBondContact O-CB 3.38Å; I388-T392 PolarHBondContact O-N 2.88Å; I388-T392 PolarHBondContact O-OG1 2.91Å; F389-T392 PolarHBondContact O-N 3.21Å; T392-K394 VanDerWaalsContact C-N 3.27Å; T392-K394 PolarHBondContact O-N 3.05Å; T392-L395 PolarHBondContact O-N 3.12Å; T392-C396 WeakPolarHBondContact O-CB 3.41Å; T392-C396 PolarHBondContact O-N 3.33Å; T392-C396 PolarHBondContact O-SG 3Å; T392-A403 HydrophobicContact CG2-CB 3.78Å; T392-I425 HydrophobicContact CG2-CB 4.46Å; T392-I425 HydrophobicContact CG2-CD1 3.48Å; T392-I425 VanDerWaalsContact CG2-CD1 3.48Å; T392-I425 HydrophobicContact CG2-CG2 4.14Å
393	K	94	Very high	91.2	Very high	130 Å²	130	48 Å²	48	57%	0.565	23%	0.233	S	C	*	.	H	α-helix	trans	-61.7	-29.3	-178.7	-173.4	169.3	-179.4	172.3	0	113.5	F389 E391	F389-K393 HydrophobicContact CZ-CD 4.42Å; F389-K393 WeakPolarHBondContact O-CB 3.43Å; F389-K393 PolarHBondContact O-N 3.02Å; E391-K393 PolarHBondContact O-N 2.82Å
394	K	91.8	Very high	91.7	Very high	61 Å²	61	47 Å²	47	27%	0.265	23%	0.229	S	C	.	.	H	α-helix	trans	-66.8	-43.2	171.6	-63.1	170.3	179.9	-178.2	0	112	C313 N317 K390 E391 T392	C313-K394 PolarHBondContact SG-O 2.99Å; C313-K394 VanDerWaalsContact SG-O 3.37Å; N317-K394 WeakPolarHBondContact OD1-CD 3.33Å; K390-K394 PolarHBondContact O-N 3.49Å; E391-K394 PolarHBondContact O-N 3.29Å; E391-K394 WeakPolarHBondContact OE1-CE 3.31Å; E391-K394 IonicContact OE1-NZ 3.49Å; E391-K394 PolarHBondContact OE1-NZ 3.42Å; E391-K394 WeakPolarHBondContact OE2-CD 3.25Å; E391-K394 WeakPolarHBondContact OE2-CE 3.49Å; E391-K394 IonicContact OE2-NZ 3.29Å; E391-K394 PolarHBondContact OE2-NZ 3.11Å; T392-K394 VanDerWaalsContact C-N 3.27Å; T392-K394 PolarHBondContact O-N 3.05Å
395	L	92.3	Very high	92.1	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.021	23%	0.228	C	C	.	.	H	α-helix	trans	-78.4	-33	-176.2	-62.4	176	0	0	0	112.1	L310 L314 L351 L354 V355 M358 E391 T392 Q397 A398	L310-L395 HydrophobicContact CD1-CD2 3.92Å; L314-L395 HydrophobicContact CD2-CD2 4.13Å; L351-L395 HydrophobicContact CD2-CD1 3.88Å; L354-L395 HydrophobicContact CB-CD1 3.61Å; L354-L395 HydrophobicContact CD1-CD1 4.18Å; V355-L395 HydrophobicContact CG2-CD1 4.4Å; M358-L395 HydrophobicContact CE-CB 3.99Å; M358-L395 HydrophobicContact CG-CB 3.96Å; M358-L395 HydrophobicContact SD-CB 3.91Å; E391-L395 PolarHBondContact O-N 3.03Å; T392-L395 PolarHBondContact O-N 3.12Å; L395-Q397 PolarHBondContact O-N 3.37Å; L395-Q397 VanDerWaalsContact O-N 3.15Å; L395-A398 WeakPolarHBondContact O-CB 3.23Å; L395-A398 PolarHBondContact O-N 3.48Å
396	C	91.1	Very high	92.2	Very high	8 Å²	8	46.9 Å²	46.9	5%	0.054	23%	0.228	C	C	.	.	H	α-helix	trans	-45.9	-40.6	170.4	-82.3	0	0	0	0	113.4	T392 A398 A399 D400 A401	T392-C396 WeakPolarHBondContact O-CB 3.41Å; T392-C396 PolarHBondContact O-N 3.33Å; T392-C396 PolarHBondContact O-SG 3Å; C396-A398 PolarHBondContact O-N 3.16Å; C396-A398 VanDerWaalsContact O-N 3.09Å; C396-A399 PolarHBondContact O-N 3.32Å; C396-D400 PolarHBondContact O-N 3.45Å; C396-A401 WeakPolarHBondContact CB-O 3.27Å; C396-A401 PolarHBondContact O-N 3.45Å; C396-A401 PolarHBondContact SG-O 3.3Å; C396-A401 VanDerWaalsContact SG-O 3.42Å
397	Q	85.5	Confident	92.3	Very high	154 Å²	154	46 Å²	46	72%	0.72	22%	0.221	S	C	*	.	H	α-helix	trans	-60.7	-17.7	178.1	-65.1	-178.4	-26	0	0	114.4	L395	L395-Q397 PolarHBondContact O-N 3.37Å; L395-Q397 VanDerWaalsContact O-N 3.15Å
398	A	85.9	Confident	92.2	Very high	8 Å²	8	45 Å²	45	7%	0.066	23%	0.225	C	C	.	.	H	α-helix	trans	-92.4	-24.4	176.1	0	0	0	0	0	113.4	R309 L310 C313 L395 C396	R309-A398 HydrophobicContact CB-CB 4.2Å; R309-A398 WeakPolarHBondContact CD-O 3.32Å; L310-A398 HydrophobicContact CB-CB 4.42Å; L310-A398 HydrophobicContact CD1-CB 4.29Å; C313-A398 HydrophobicContact CB-CB 4.02Å; L395-A398 WeakPolarHBondContact O-CB 3.23Å; L395-A398 PolarHBondContact O-N 3.48Å; C396-A398 PolarHBondContact O-N 3.16Å; C396-A398 VanDerWaalsContact O-N 3.09Å
399	A	85.5	Confident	91.7	Very high	21 Å²	21	47.2 Å²	47.2	17%	0.174	25%	0.249	C	C	.	.	H	α-helix	trans	-106.8	-1.8	-174.7	0	0	0	0	0	113.9	M358 C396 A401	M358-A399 HydrophobicContact CB-CB 4.21Å; M358-A399 HydrophobicContact CG-CB 4.47Å; M358-A399 HydrophobicContact SD-CB 3.81Å; C396-A399 PolarHBondContact O-N 3.32Å; A399-A401 HydrophobicContact CB-CB 4.45Å; A399-A401 PolarHBondContact O-N 3.4Å
400	D	88.1	Confident	91.2	Very high	153 Å²	153	46.6 Å²	46.6	82%	0.818	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.1	34.7	-175.4	-150.1	22.9	0	0	0	113.8	C396	C396-D400 PolarHBondContact O-N 3.45Å
401	A	92.4	Very high	90.7	Very high	16 Å²	16	41.8 Å²	41.8	13%	0.132	24%	0.238	C	C	.	.			trans	-108.8	155.3	-178.1	0	0	0	0	0	111.4	L361 C396 A399 E424	L361-A401 HydrophobicContact CD1-CB 3.9Å; C396-A401 WeakPolarHBondContact CB-O 3.27Å; C396-A401 PolarHBondContact O-N 3.45Å; C396-A401 PolarHBondContact SG-O 3.3Å; C396-A401 VanDerWaalsContact SG-O 3.42Å; A399-A401 HydrophobicContact CB-CB 4.45Å; A399-A401 PolarHBondContact O-N 3.4Å; A401-E424 HydrophobicContact CB-CB 4.27Å; A401-E424 HydrophobicContact CB-CG 4.32Å
402	R	94.6	Very high	90.6	Very high	83 Å²	83	43.6 Å²	43.6	31%	0.313	25%	0.248	S	C	.	.			trans	-111.6	129.3	178.8	-176.8	166.2	161.4	-128.8	-23.8	112.1	E418 R421 G422 E424 I425	R402-E418 PolarHBondContact NH2-O 3.45Å; R402-R421 PolarHBondContact NH1-O 3.44Å; R402-G422 PolarHBondContact NH1-O 3.48Å; R402-G422 PolarHBondContact NH2-O 3.01Å; R402-E424 WeakPolarHBondContact CA-OE2 3.31Å; R402-E424 WeakPolarHBondContact CB-OE2 3.28Å; R402-E424 PolarHBondContact N-OE2 3.08Å; R402-E424 PolarHBondContact O-N 2.84Å; R402-I425 PolarHBondContact O-N 3.18Å
403	A	96.1	Very high	90.3	Very high	15 Å²	15	47.5 Å²	47.5	12%	0.124	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	149.8	168.9	0	0	0	0	0	111.4	F389 T392 I425	F389-A403 HydrophobicContact CD2-CB 3.98Å; F389-A403 HydrophobicContact CE2-CB 3.86Å; T392-A403 HydrophobicContact CG2-CB 3.78Å; A403-I425 CarbonylContact C-O 3.34Å; A403-I425 VanDerWaalsContact CA-O 3.28Å; A403-I425 WeakPolarHBondContact CA-O 3.39Å; A403-I425 HydrophobicContact CB-CB 4.19Å
404	V	95.7	Very high	90.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	151.1	168.8	168.7	0	0	0	0	109.5	V406 E418 L419 A423 I425 V427	V404-V406 HydrophobicContact CG1-CG2 4.06Å; V404-E418 HydrophobicContact CG1-CB 3.87Å; V404-E418 HydrophobicContact CG2-CB 4.02Å; V404-L419 HydrophobicContact CB-CD2 4.19Å; V404-L419 HydrophobicContact CG1-CD2 3.74Å; V404-L419 HydrophobicContact CG1-CG 4.14Å; V404-A423 HydrophobicContact CB-CB 3.94Å; V404-A423 HydrophobicContact CG2-CB 3.58Å; V404-I425 PolarHBondContact N-O 3.2Å; V404-V427 PolarHBondContact O-N 3.29Å
405	C	95.8	Very high	90.1	Very high	8 Å²	8	45.2 Å²	45.2	5%	0.054	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	124.2	-177.1	-156.3	0	0	0	0	112.2	F389 Y407 V427	F389-C405 HydrophobicContact CB-CB 4.03Å; F389-C405 HydrophobicContact CD1-CB 3.84Å; F389-C405 HydrophobicContact CD2-CB 3.76Å; F389-C405 HydrophobicContact CE1-CB 4.18Å; F389-C405 HydrophobicContact CE2-CB 4.1Å; F389-C405 HydrophobicContact CG-CB 3.6Å; F389-C405 HydrophobicContact CZ-CB 4.29Å; C405-Y407 HydrophobicContact CB-CD1 4.26Å; C405-Y407 HydrophobicContact CB-CE1 4.01Å; C405-Y407 VanDerWaalsContact SG-CD1 3.55Å; C405-V427 CarbonylContact C-O 3.49Å; C405-V427 VanDerWaalsContact CA-O 3.3Å; C405-V427 WeakPolarHBondContact CA-O 3.27Å
406	V	95.2	Very high	90.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	99.2	-164.6	174.1	0	0	0	0	110.3	V404 L419 I426 V427 C428 T429 R432 M433 M436	V404-V406 HydrophobicContact CG1-CG2 4.06Å; V406-L419 HydrophobicContact CG2-CD1 4.01Å; V406-L419 HydrophobicContact CG2-CD2 4.11Å; V406-L419 HydrophobicContact CG2-CG 4.29Å; V406-I426 HydrophobicContact CB-CG2 4.13Å; V406-I426 HydrophobicContact CG2-CG2 3.85Å; V406-V427 PolarHBondContact N-O 3.23Å; V406-C428 HydrophobicContact CB-CB 3.87Å; V406-C428 HydrophobicContact CG1-CB 4.28Å; V406-C428 CarbonylContact O-C 3.59Å; V406-C428 WeakPolarHBondContact O-CA 3.45Å; V406-C428 VanDerWaalsContact O-CB 3.28Å; V406-C428 WeakPolarHBondContact O-CB 3.49Å; V406-T429 PolarHBondContact O-N 3.34Å; V406-R432 HydrophobicContact CG1-CB 4.42Å; V406-R432 HydrophobicContact CG1-CG 3.71Å; V406-M433 HydrophobicContact CG1-SD 4.39Å; V406-M436 HydrophobicContact CG1-CG 3.56Å
407	Y	93.5	Very high	90.1	Very high	36 Å²	36	48 Å²	48	14%	0.141	29%	0.288	C	S	.	.			trans	-145	157	-172.4	53.9	-98.5	0	0	0	113.1	R382 L386 C405 T410 Q415 R432	R382-Y407 HydrophobicContact CB-CD2 4.26Å; R382-Y407 HydrophobicContact CB-CG 4.34Å; R382-Y407 HydrophobicContact CG-CD2 3.69Å; R382-Y407 HydrophobicContact CG-CE2 4.06Å; R382-Y407 HydrophobicContact CG-CG 4.05Å; R382-Y407 VanDerWaalsContact NH1-CE2 3.31Å; L386-Y407 HydrophobicContact CD2-CD1 4.45Å; L386-Y407 HydrophobicContact CD2-CE1 3.6Å; L386-Y407 HydrophobicContact CG-CE1 4.04Å; C405-Y407 HydrophobicContact CB-CD1 4.26Å; C405-Y407 HydrophobicContact CB-CE1 4.01Å; C405-Y407 VanDerWaalsContact SG-CD1 3.55Å; Y407-T410 HydrophobicContact CE2-CG2 3.92Å; Y407-T410 WeakPolarHBondContact CE2-OG1 3.3Å; Y407-T410 PolarHBondContact O-OG1 3.47Å; Y407-Q415 VanDerWaalsContact N-NE2 3.16Å; Y407-Q415 PolarHBondContact O-NE2 3.28Å; Y407-Q415 PolarHBondContact O-OE1 2.73Å; Y407-R432 PolarHBondContact O-NH1 2.84Å; Y407-R432 VanDerWaalsContact O-NH1 3.17Å
408	G	87.9	Confident	90.3	Very high	32 Å²	32	44.5 Å²	44.5	33%	0.33	27%	0.272	S	S	.	.	S	Bend	trans	-71.4	162.8	177.6	0	0	0	0	0	114.1	R382	R382-G408 PolarHBondContact NH1-O 2.71Å
409	G	83	Confident	90.7	Very high	49 Å²	49	44.7 Å²	44.7	51%	0.505	27%	0.271	S	S	.	.	S	Bend	trans	79.8	16.9	-178.8	0	0	0	0	0	114.7	R382 Q582	R382-G409 PolarHBondContact NH1-O 3.09Å; R382-G409 VanDerWaalsContact NH1-O 3.13Å; G409-Q582 WeakPolarHBondContact O-CG 3.36Å
410	T	84.9	Confident	90.9	Very high	26 Å²	26	50.1 Å²	50.1	16%	0.16	29%	0.291	C	S	.	.	S	Bend	trans	-135.7	160	167.2	32.1	0	0	0	0	110.6	Y407 I412 Q415 R432	Y407-T410 HydrophobicContact CE2-CG2 3.92Å; Y407-T410 WeakPolarHBondContact CE2-OG1 3.3Å; Y407-T410 PolarHBondContact O-OG1 3.47Å; T410-I412 PolarHBondContact O-N 2.8Å; T410-Q415 PolarHBondContact OG1-NE2 3.28Å; T410-Q415 VanDerWaalsContact OG1-NE2 3.15Å; T410-R432 PolarHBondContact O-NH1 3.35Å; T410-R432 PolarHBondContact O-NH2 3.21Å
411	G	83.5	Confident	90.9	Very high	37 Å²	37	51.4 Å²	51.4	38%	0.381	29%	0.285	S	S	.	.			trans	-52.5	131.2	175.5	0	0	0	0	0	111.7	S413	G411-S413 VanDerWaalsContact C-N 3.33Å
412	I	90	Very high	90.8	Very high	74 Å²	74	51.9 Å²	51.9	38%	0.379	29%	0.291	S	S	.	.	H	α-helix	trans	-73.2	-29.1	-174.2	-160.1	173.5	0	0	0	112.2	T410 E414 Q415 I416 D435 M436	T410-I412 PolarHBondContact O-N 2.8Å; I412-E414 PolarHBondContact O-N 3.02Å; I412-Q415 PolarHBondContact O-N 3Å; I412-I416 HydrophobicContact CG1-CD1 3.99Å; I412-I416 HydrophobicContact CG1-CG1 4.47Å; I412-I416 HydrophobicContact CG2-CD1 4.43Å; I412-I416 VanDerWaalsContact O-CG1 3.26Å; I412-I416 WeakPolarHBondContact O-CG1 3.5Å; I412-I416 PolarHBondContact O-N 3.43Å; I412-D435 HydrophobicContact CD1-CB 4.42Å; I412-M436 HydrophobicContact CD1-CE 3.55Å; I412-M436 HydrophobicContact CG1-CE 3.29Å
413	S	89.5	Confident	90.7	Very high	83 Å²	83	48.2 Å²	48.2	58%	0.58	28%	0.278	S	S	*	.	H	α-helix	trans	-61.8	-41.6	-178.8	45.1	0	0	0	0	113.6	G411 I416 A417	G411-S413 VanDerWaalsContact C-N 3.33Å; S413-I416 PolarHBondContact O-N 3.31Å; S413-A417 WeakPolarHBondContact O-CB 3.37Å; S413-A417 PolarHBondContact O-N 3Å
414	E	90.7	Very high	90.7	Very high	132 Å²	132	49.1 Å²	49.1	62%	0.617	28%	0.28	S	S	*	.	H	α-helix	trans	-64.1	-47.2	179.3	-64.7	176.4	172.5	0	0	111	I412 I416 A417 E418	I412-E414 PolarHBondContact O-N 3.02Å; E414-I416 PolarHBondContact O-N 2.9Å; E414-A417 PolarHBondContact O-N 2.6Å; E414-E418 PolarHBondContact O-N 3.09Å
415	Q	92.2	Very high	90.8	Very high	10 Å²	10	49.1 Å²	49.1	5%	0.047	28%	0.28	C	S	.	.	H	α-helix	trans	-63.5	-41.7	176.4	-70.5	172.8	-2.8	0	0	111.7	Y407 T410 I412 A417 E418 L419 M436	Y407-Q415 VanDerWaalsContact N-NE2 3.16Å; Y407-Q415 PolarHBondContact O-NE2 3.28Å; Y407-Q415 PolarHBondContact O-OE1 2.73Å; T410-Q415 PolarHBondContact OG1-NE2 3.28Å; T410-Q415 VanDerWaalsContact OG1-NE2 3.15Å; I412-Q415 PolarHBondContact O-N 3Å; Q415-A417 VanDerWaalsContact C-N 3.31Å; Q415-A417 PolarHBondContact O-N 3.48Å; Q415-E418 PolarHBondContact O-N 3.42Å; Q415-L419 WeakPolarHBondContact O-CB 3.28Å; Q415-L419 VanDerWaalsContact O-CG 3.3Å; Q415-L419 WeakPolarHBondContact O-CG 3.45Å; Q415-L419 PolarHBondContact O-N 3.46Å; Q415-M436 HydrophobicContact CB-SD 4.49Å
416	I	91.4	Very high	90.9	Very high	26 Å²	26	48.8 Å²	48.8	13%	0.133	28%	0.278	C	S	.	.	H	α-helix	trans	-59.7	-41.7	173.2	-70.7	167.4	0	0	0	111.2	I412 S413 E414 L419 K420 M436 V444	I412-I416 HydrophobicContact CG1-CD1 3.99Å; I412-I416 HydrophobicContact CG1-CG1 4.47Å; I412-I416 HydrophobicContact CG2-CD1 4.43Å; I412-I416 VanDerWaalsContact O-CG1 3.26Å; I412-I416 WeakPolarHBondContact O-CG1 3.5Å; I412-I416 PolarHBondContact O-N 3.43Å; S413-I416 PolarHBondContact O-N 3.31Å; E414-I416 PolarHBondContact O-N 2.9Å; I416-L419 PolarHBondContact O-N 3.26Å; I416-K420 HydrophobicContact CG2-CD 4.04Å; I416-K420 HydrophobicContact CG2-CG 4.35Å; I416-K420 WeakPolarHBondContact O-CB 3.41Å; I416-K420 WeakPolarHBondContact O-CG 3.42Å; I416-K420 PolarHBondContact O-N 2.94Å; I416-M436 HydrophobicContact CD1-CE 4.18Å; I416-M436 HydrophobicContact CG1-CE 3.82Å; I416-M436 HydrophobicContact CG1-SD 3.73Å; I416-V444 HydrophobicContact CB-CG1 4.3Å; I416-V444 HydrophobicContact CG1-CG1 4.03Å; I416-V444 HydrophobicContact CG1-CG2 4.23Å; I416-V444 HydrophobicContact CG2-CG1 4.16Å; I416-V444 HydrophobicContact CG2-CG2 3.99Å
417	A	90.5	Very high	91	Very high	46 Å²	46	48.8 Å²	48.8	38%	0.38	28%	0.278	S	S	.	.	H	α-helix	trans	-69.8	-33.6	179.5	0	0	0	0	0	112.9	S413 E414 Q415 R421	S413-A417 WeakPolarHBondContact O-CB 3.37Å; S413-A417 PolarHBondContact O-N 3Å; E414-A417 PolarHBondContact O-N 2.6Å; Q415-A417 VanDerWaalsContact C-N 3.31Å; Q415-A417 PolarHBondContact O-N 3.48Å; A417-R421 WeakPolarHBondContact O-CG 3.37Å
418	E	91.1	Very high	91.1	Very high	79 Å²	79	47 Å²	47	37%	0.369	27%	0.271	S	S	.	.	H	α-helix	trans	-68	-47.7	170.6	-68.7	-156.5	149.2	0	0	111.7	R402 V404 E414 Q415 K420 R421	R402-E418 PolarHBondContact NH2-O 3.45Å; V404-E418 HydrophobicContact CG1-CB 3.87Å; V404-E418 HydrophobicContact CG2-CB 4.02Å; E414-E418 PolarHBondContact O-N 3.09Å; Q415-E418 PolarHBondContact O-N 3.42Å; E418-K420 PolarHBondContact O-N 3.35Å; E418-R421 PolarHBondContact O-N 2.81Å
419	L	92.8	Very high	91.5	Very high	12 Å²	12	46.2 Å²	46.2	6%	0.063	26%	0.259	C	S	.	.	H	α-helix	trans	-63.5	-41.2	-178.6	-70	175.2	0	0	0	113.2	V404 V406 Q415 I416 R421 G422 I426 M436 V444 T445	V404-L419 HydrophobicContact CB-CD2 4.19Å; V404-L419 HydrophobicContact CG1-CD2 3.74Å; V404-L419 HydrophobicContact CG1-CG 4.14Å; V406-L419 HydrophobicContact CG2-CD1 4.01Å; V406-L419 HydrophobicContact CG2-CD2 4.11Å; V406-L419 HydrophobicContact CG2-CG 4.29Å; Q415-L419 WeakPolarHBondContact O-CB 3.28Å; Q415-L419 VanDerWaalsContact O-CG 3.3Å; Q415-L419 WeakPolarHBondContact O-CG 3.45Å; Q415-L419 PolarHBondContact O-N 3.46Å; I416-L419 PolarHBondContact O-N 3.26Å; L419-R421 PolarHBondContact O-N 3.03Å; L419-G422 PolarHBondContact O-N 2.93Å; L419-I426 HydrophobicContact CD2-CD1 3.41Å; L419-I426 VanDerWaalsContact CD2-CD1 3.41Å; L419-I426 HydrophobicContact CD2-CG1 3.81Å; L419-M436 HydrophobicContact CD1-CB 4.09Å; L419-M436 HydrophobicContact CD1-CG 3.72Å; L419-M436 HydrophobicContact CD1-SD 3.66Å; L419-V444 HydrophobicContact CB-CG1 3.96Å; L419-V444 HydrophobicContact CD1-CG1 3.92Å; L419-T445 HydrophobicContact CD1-CG2 4.19Å
420	K	89.5	Confident	92	Very high	136 Å²	136	43.9 Å²	43.9	59%	0.591	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-18.6	176.8	-81.7	-178.4	174.6	-174.8	0	114.3	I416 E418 G422	I416-K420 HydrophobicContact CG2-CD 4.04Å; I416-K420 HydrophobicContact CG2-CG 4.35Å; I416-K420 WeakPolarHBondContact O-CB 3.41Å; I416-K420 WeakPolarHBondContact O-CG 3.42Å; I416-K420 PolarHBondContact O-N 2.94Å; E418-K420 PolarHBondContact O-N 3.35Å; K420-G422 VanDerWaalsContact C-N 3.32Å
421	R	89.4	Confident	92.4	Very high	180 Å²	180	43.7 Å²	43.7	68%	0.679	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.2	8.4	174.6	-62.8	169.7	175.4	153.3	-2.5	113.1	R402 A417 E418 L419	R402-R421 PolarHBondContact NH1-O 3.44Å; A417-R421 WeakPolarHBondContact O-CG 3.37Å; E418-R421 PolarHBondContact O-N 2.81Å; L419-R421 PolarHBondContact O-N 3.03Å
422	G	88.8	Confident	92.8	Very high	25 Å²	25	43.5 Å²	43.5	26%	0.258	23%	0.226	S	C	.	.			trans	76.5	149.2	-173	0	0	0	0	0	113.9	R402 L419 K420	R402-G422 PolarHBondContact NH1-O 3.48Å; R402-G422 PolarHBondContact NH2-O 3.01Å; L419-G422 PolarHBondContact O-N 2.93Å; K420-G422 VanDerWaalsContact C-N 3.32Å
423	A	94	Very high	93.1	Very high	6 Å²	6	40 Å²	40	5%	0.05	21%	0.208	C	C	.	.			trans	-161.8	122.2	172.5	0	0	0	0	0	110.4	L367 P373 V404 I425	L367-A423 VanDerWaalsContact CD1-C 3.44Å; P373-A423 VanDerWaalsContact CA-O 3.32Å; P373-A423 WeakPolarHBondContact CA-O 3.21Å; P373-A423 WeakPolarHBondContact CB-O 3.25Å; V404-A423 HydrophobicContact CB-CB 3.94Å; V404-A423 HydrophobicContact CG2-CB 3.58Å; A423-I425 VanDerWaalsContact C-N 3.26Å; A423-I425 PolarHBondContact O-N 3.02Å
424	E	96	Very high	93.2	Very high	34 Å²	34	36.8 Å²	36.8	16%	0.159	19%	0.185	C	C	.	.	S	Bend	trans	-67.5	-29.8	179.4	-69	68.8	-152.4	0	0	112	L361 L367 I374 A375 A401 R402	L361-E424 HydrophobicContact CD2-CB 4.03Å; L367-E424 HydrophobicContact CD1-CG 4.07Å; L367-E424 WeakPolarHBondContact CD1-OE1 3.41Å; L367-E424 HydrophobicContact CG-CG 4.02Å; L367-E424 VanDerWaalsContact CG-OE1 3.31Å; L367-E424 WeakPolarHBondContact CG-OE1 3.43Å; I374-E424 HydrophobicContact CD1-CG 4.22Å; I374-E424 PolarHBondContact N-O 2.95Å; A375-E424 PolarHBondContact N-O 3.04Å; A401-E424 HydrophobicContact CB-CB 4.27Å; A401-E424 HydrophobicContact CB-CG 4.32Å; R402-E424 WeakPolarHBondContact CA-OE2 3.31Å; R402-E424 WeakPolarHBondContact CB-OE2 3.28Å; R402-E424 PolarHBondContact N-OE2 3.08Å; R402-E424 PolarHBondContact O-N 2.84Å
425	I	97.3	Very high	93.3	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	124.1	-179.2	-45.2	170.7	0	0	0	110	L357 M358 L361 A375 L377 T392 R402 A403 V404 A423 V427	L357-I425 HydrophobicContact CD2-CD1 3.93Å; L357-I425 HydrophobicContact CD2-CG1 4.25Å; L357-I425 HydrophobicContact CD2-CG2 4.18Å; L357-I425 HydrophobicContact CG-CD1 4.42Å; M358-I425 HydrophobicContact CE-CD1 3.77Å; L361-I425 HydrophobicContact CD1-CD1 3.69Å; L361-I425 HydrophobicContact CD1-CG1 3.76Å; A375-I425 HydrophobicContact CB-CG2 4.48Å; A375-I425 WeakPolarHBondContact O-CA 3.43Å; L377-I425 HydrophobicContact CD1-CG2 3.9Å; L377-I425 HydrophobicContact CG-CG2 4.05Å; T392-I425 HydrophobicContact CG2-CB 4.46Å; T392-I425 HydrophobicContact CG2-CD1 3.48Å; T392-I425 VanDerWaalsContact CG2-CD1 3.48Å; T392-I425 HydrophobicContact CG2-CG2 4.14Å; R402-I425 PolarHBondContact O-N 3.18Å; A403-I425 CarbonylContact C-O 3.34Å; A403-I425 VanDerWaalsContact CA-O 3.28Å; A403-I425 WeakPolarHBondContact CA-O 3.39Å; A403-I425 HydrophobicContact CB-CB 4.19Å; V404-I425 PolarHBondContact N-O 3.2Å; A423-I425 VanDerWaalsContact C-N 3.26Å; A423-I425 PolarHBondContact O-N 3.02Å; I425-V427 HydrophobicContact CG2-CG2 4.34Å
426	I	97.3	Very high	93.2	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	127.6	164.9	-66.1	179.7	0	0	0	109.3	P373 A375 L376 L377 V406 L419 C428 M433 T445	P373-I426 HydrophobicContact CB-CD1 4.28Å; P373-I426 HydrophobicContact CB-CG1 4.03Å; P373-I426 HydrophobicContact CG-CB 4.47Å; P373-I426 HydrophobicContact CG-CD1 3.7Å; P373-I426 HydrophobicContact CG-CG1 3.96Å; A375-I426 PolarHBondContact O-N 3.4Å; L376-I426 HydrophobicContact CD1-CB 3.79Å; L376-I426 HydrophobicContact CD1-CG2 3.82Å; L377-I426 PolarHBondContact N-O 2.93Å; V406-I426 HydrophobicContact CB-CG2 4.13Å; V406-I426 HydrophobicContact CG2-CG2 3.85Å; L419-I426 HydrophobicContact CD2-CD1 3.41Å; L419-I426 VanDerWaalsContact CD2-CD1 3.41Å; L419-I426 HydrophobicContact CD2-CG1 3.81Å; I426-C428 HydrophobicContact CG2-CB 3.85Å; I426-M433 HydrophobicContact CD1-CE 3.95Å; I426-M433 HydrophobicContact CD1-SD 4.39Å; I426-M433 HydrophobicContact CG2-SD 3.89Å; I426-T445 HydrophobicContact CD1-CG2 4.45Å
427	V	97.6	Very high	93.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	120.5	169.3	-168	0	0	0	0	108.4	L377 A385 I388 F389 V404 C405 V406 I425	L377-V427 HydrophobicContact CB-CG1 4.28Å; L377-V427 HydrophobicContact CB-CG2 4.37Å; L377-V427 HydrophobicContact CD1-CG2 4.08Å; L377-V427 CarbonylContact O-C 3.59Å; L377-V427 WeakPolarHBondContact O-CA 3.45Å; A385-V427 HydrophobicContact CB-CG1 4.34Å; A385-V427 WeakPolarHBondContact O-CG1 3.49Å; I388-V427 HydrophobicContact CB-CG1 3.86Å; I388-V427 HydrophobicContact CG2-CG1 3.72Å; I388-V427 HydrophobicContact CG2-CG2 4.38Å; F389-V427 HydrophobicContact CB-CB 4.21Å; F389-V427 HydrophobicContact CB-CG1 4.39Å; F389-V427 HydrophobicContact CB-CG2 4.2Å; F389-V427 HydrophobicContact CD2-CG2 4.39Å; V404-V427 PolarHBondContact O-N 3.29Å; C405-V427 CarbonylContact C-O 3.49Å; C405-V427 VanDerWaalsContact CA-O 3.3Å; C405-V427 WeakPolarHBondContact CA-O 3.27Å; V406-V427 PolarHBondContact N-O 3.23Å; I425-V427 HydrophobicContact CG2-CG2 4.34Å
428	C	96.6	Very high	93.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	161.1	-164.3	62.1	0	0	0	0	116.1	L376 L377 L378 A379 V406 I426 M433	L376-C428 VanDerWaalsContact CD1-SG 3.58Å; L377-C428 PolarHBondContact O-N 3.28Å; L378-C428 WeakPolarHBondContact CA-O 3.41Å; L378-C428 WeakPolarHBondContact CD2-SG 3.36Å; A379-C428 PolarHBondContact N-O 3.29Å; V406-C428 HydrophobicContact CB-CB 3.87Å; V406-C428 HydrophobicContact CG1-CB 4.28Å; V406-C428 CarbonylContact O-C 3.59Å; V406-C428 WeakPolarHBondContact O-CA 3.45Å; V406-C428 VanDerWaalsContact O-CB 3.28Å; V406-C428 WeakPolarHBondContact O-CB 3.49Å; I426-C428 HydrophobicContact CG2-CB 3.85Å; C428-M433 HydrophobicContact CB-CB 4.1Å; C428-M433 HydrophobicContact CB-CG 4.44Å; C428-M433 HydrophobicContact CB-SD 4.24Å
429	T	95.1	Very high	92.7	Very high	14 Å²	14	29.1 Å²	29.1	9%	0.086	15%	0.151	C	C	.	.			trans	-94.2	140.4	161.7	65.9	0	0	0	0	110.3	A379 A385 V406 G431 R432 M433	A379-T429 WeakPolarHBondContact O-CA 3.47Å; A385-T429 HydrophobicContact CB-CG2 4.45Å; V406-T429 PolarHBondContact O-N 3.34Å; T429-G431 VanDerWaalsContact C-N 3.3Å; T429-G431 PolarHBondContact O-N 3.43Å; T429-G431 VanDerWaalsContact O-N 3.16Å; T429-R432 PolarHBondContact O-N 2.93Å; T429-M433 PolarHBondContact O-N 2.9Å; T429-M433 VanDerWaalsContact O-N 3.09Å
430	P	94.3	Very high	92	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-53.7	-39.7	-172.4	-28.6	32.3	0	0	0	115.1	L378 A379 I434 M461 F466 Q469 V470 I473	L378-P430 HydrophobicContact CD2-CB 4.39Å; L378-P430 HydrophobicContact CD2-CG 4.04Å; A379-P430 VanDerWaalsContact O-CD 3.27Å; A379-P430 WeakPolarHBondContact O-CD 3.38Å; P430-I434 PolarHBondContact O-N 3.27Å; P430-M461 HydrophobicContact CG-SD 3.75Å; P430-F466 HydrophobicContact CB-CB 4.25Å; P430-F466 HydrophobicContact CB-CD1 4.35Å; P430-F466 HydrophobicContact CB-CG 4.34Å; P430-F466 HydrophobicContact CG-CB 4.15Å; P430-F466 HydrophobicContact CG-CG 4.23Å; P430-Q469 HydrophobicContact CB-CB 3.84Å; P430-V470 HydrophobicContact CB-CG2 4.02Å; P430-V470 HydrophobicContact CG-CG2 3.67Å; P430-I473 HydrophobicContact CB-CD1 4.09Å
431	G	92.8	Very high	91.1	Very high	23 Å²	23	30.2 Å²	30.2	24%	0.237	18%	0.18	C	C	.	.	H	α-helix	trans	-59.6	-61.4	178.2	0	0	0	0	0	112.5	T429 M433 I434 D435	T429-G431 VanDerWaalsContact C-N 3.3Å; T429-G431 PolarHBondContact O-N 3.43Å; T429-G431 VanDerWaalsContact O-N 3.16Å; G431-M433 PolarHBondContact O-N 3.22Å; G431-I434 PolarHBondContact O-N 3.06Å; G431-D435 PolarHBondContact O-N 3.26Å
432	R	93.1	Very high	90.3	Very high	32 Å²	32	22.9 Å²	22.9	12%	0.121	16%	0.161	C	C	.	.	H	α-helix	trans	-63.8	-25.6	-178.1	-179.6	57.9	65.8	89	-8.1	112.7	V406 Y407 T410 T429 D435 M436	V406-R432 HydrophobicContact CG1-CB 4.42Å; V406-R432 HydrophobicContact CG1-CG 3.71Å; Y407-R432 PolarHBondContact O-NH1 2.84Å; Y407-R432 VanDerWaalsContact O-NH1 3.17Å; T410-R432 PolarHBondContact O-NH1 3.35Å; T410-R432 PolarHBondContact O-NH2 3.21Å; T429-R432 PolarHBondContact O-N 2.93Å; R432-D435 WeakPolarHBondContact CA-OD2 3.25Å; R432-D435 WeakPolarHBondContact CD-OD2 3.24Å; R432-D435 IonicContact NE-OD2 2.62Å; R432-D435 PolarHBondContact NE-OD2 3.46Å; R432-D435 VanDerWaalsContact NE-OD2 3.1Å; R432-D435 WeakPolarHBondContact O-CB 3.32Å; R432-D435 PolarHBondContact O-N 2.79Å; R432-M436 WeakPolarHBondContact O-CG 3.15Å; R432-M436 PolarHBondContact O-N 2.87Å; R432-M436 VanDerWaalsContact O-N 3.09Å
433	M	94.8	Very high	89.8	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-66.9	-37.4	172.8	-167.8	59	-159.3	0	0	112.5	L376 V406 I426 C428 T429 G431 M436 L437 T445 L447 I473	L376-M433 HydrophobicContact CD1-CE 3.96Å; L376-M433 HydrophobicContact CD1-CG 4.3Å; L376-M433 HydrophobicContact CD1-SD 4.01Å; V406-M433 HydrophobicContact CG1-SD 4.39Å; I426-M433 HydrophobicContact CD1-CE 3.95Å; I426-M433 HydrophobicContact CD1-SD 4.39Å; I426-M433 HydrophobicContact CG2-SD 3.89Å; C428-M433 HydrophobicContact CB-CB 4.1Å; C428-M433 HydrophobicContact CB-CG 4.44Å; C428-M433 HydrophobicContact CB-SD 4.24Å; T429-M433 PolarHBondContact O-N 2.9Å; T429-M433 VanDerWaalsContact O-N 3.09Å; G431-M433 PolarHBondContact O-N 3.22Å; M433-M436 PolarHBondContact O-N 3.11Å; M433-L437 HydrophobicContact CE-CD1 4.23Å; M433-L437 HydrophobicContact CE-CD2 3.99Å; M433-L437 HydrophobicContact CE-CG 4.03Å; M433-L437 HydrophobicContact CG-CD1 4.34Å; M433-L437 VanDerWaalsContact O-CG 3.31Å; M433-L437 WeakPolarHBondContact O-CG 3.36Å; M433-L437 PolarHBondContact O-N 3.36Å; M433-L437 VanDerWaalsContact O-N 3.14Å; M433-T445 HydrophobicContact CE-CG2 4.03Å; M433-L447 HydrophobicContact CE-CD2 4.16Å; M433-I473 HydrophobicContact CB-CD1 4.03Å; M433-I473 HydrophobicContact CG-CD1 4.25Å
434	I	92.7	Very high	89.5	Confident	17 Å²	17	32 Å²	32	9%	0.087	19%	0.187	C	C	.	.	H	α-helix	trans	-66.3	-41.8	173.3	-69.5	174.1	0	0	0	110.6	L245 P430 G431 M436 L437 A438 Q469 R472 I473	L245-I434 HydrophobicContact CB-CG2 4.23Å; L245-I434 HydrophobicContact CD2-CG1 4.36Å; P430-I434 PolarHBondContact O-N 3.27Å; G431-I434 PolarHBondContact O-N 3.06Å; I434-M436 PolarHBondContact O-N 3.19Å; I434-L437 PolarHBondContact O-N 3.02Å; I434-L437 VanDerWaalsContact O-N 3.13Å; I434-A438 PolarHBondContact O-N 3.07Å; I434-Q469 HydrophobicContact CD1-CB 3.62Å; I434-Q469 HydrophobicContact CD1-CG 3.75Å; I434-R472 HydrophobicContact CD1-CB 4.37Å; I434-I473 HydrophobicContact CD1-CG1 4.35Å; I434-I473 HydrophobicContact CG1-CD1 4.1Å; I434-I473 HydrophobicContact CG1-CG1 3.85Å
435	D	91.5	Very high	89.3	Confident	72 Å²	72	31 Å²	31	39%	0.385	18%	0.183	S	C	.	.	H	α-helix	trans	-53.7	-42.5	173.5	-49.1	-15.3	0	0	0	110.8	I412 G431 R432 A439	I412-D435 HydrophobicContact CD1-CB 4.42Å; G431-D435 PolarHBondContact O-N 3.26Å; R432-D435 WeakPolarHBondContact CA-OD2 3.25Å; R432-D435 WeakPolarHBondContact CD-OD2 3.24Å; R432-D435 IonicContact NE-OD2 2.62Å; R432-D435 PolarHBondContact NE-OD2 3.46Å; R432-D435 VanDerWaalsContact NE-OD2 3.1Å; R432-D435 WeakPolarHBondContact O-CB 3.32Å; R432-D435 PolarHBondContact O-N 2.79Å; D435-A439 WeakPolarHBondContact O-CB 3.27Å; D435-A439 PolarHBondContact O-N 3.27Å
436	M	91.3	Very high	89	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-71	-28.8	-179.6	-69.5	-59	92.6	0	0	114.3	V406 I412 Q415 I416 L419 R432 M433 I434 V444 T445	V406-M436 HydrophobicContact CG1-CG 3.56Å; I412-M436 HydrophobicContact CD1-CE 3.55Å; I412-M436 HydrophobicContact CG1-CE 3.29Å; Q415-M436 HydrophobicContact CB-SD 4.49Å; I416-M436 HydrophobicContact CD1-CE 4.18Å; I416-M436 HydrophobicContact CG1-CE 3.82Å; I416-M436 HydrophobicContact CG1-SD 3.73Å; L419-M436 HydrophobicContact CD1-CB 4.09Å; L419-M436 HydrophobicContact CD1-CG 3.72Å; L419-M436 HydrophobicContact CD1-SD 3.66Å; R432-M436 WeakPolarHBondContact O-CG 3.15Å; R432-M436 PolarHBondContact O-N 2.87Å; R432-M436 VanDerWaalsContact O-N 3.09Å; M433-M436 PolarHBondContact O-N 3.11Å; I434-M436 PolarHBondContact O-N 3.19Å; M436-V444 HydrophobicContact SD-CG1 4.15Å; M436-T445 HydrophobicContact CB-CG2 4.05Å
437	L	91.5	Very high	88.8	Confident	9 Å²	9	32.5 Å²	32.5	5%	0.047	19%	0.191	C	C	.	.	H	α-helix	trans	-80.4	-36.1	176.5	-65	164.2	0	0	0	111.6	L245 M433 I434 G442 T445 L447	L245-L437 HydrophobicContact CD1-CB 3.71Å; L245-L437 HydrophobicContact CD2-CB 4.12Å; L245-L437 HydrophobicContact CD2-CD1 3.86Å; M433-L437 HydrophobicContact CE-CD1 4.23Å; M433-L437 HydrophobicContact CE-CD2 3.99Å; M433-L437 HydrophobicContact CE-CG 4.03Å; M433-L437 HydrophobicContact CG-CD1 4.34Å; M433-L437 VanDerWaalsContact O-CG 3.31Å; M433-L437 WeakPolarHBondContact O-CG 3.36Å; M433-L437 PolarHBondContact O-N 3.36Å; M433-L437 VanDerWaalsContact O-N 3.14Å; I434-L437 PolarHBondContact O-N 3.02Å; I434-L437 VanDerWaalsContact O-N 3.13Å; L437-G442 WeakPolarHBondContact O-CA 3.39Å; L437-G442 PolarHBondContact O-N 3.15Å; L437-T445 HydrophobicContact CD2-CG2 4.15Å; L437-L447 HydrophobicContact CD1-CD1 3.68Å; L437-L447 HydrophobicContact CD1-CG 4.43Å; L437-L447 HydrophobicContact CD2-CD1 4.01Å; L437-L447 HydrophobicContact CD2-CG 3.83Å
438	A	87.7	Confident	88.5	Confident	30 Å²	30	36 Å²	36	25%	0.248	21%	0.207	C	C	.	.	H	α-helix	trans	-73.2	-34.7	173.2	0	0	0	0	0	112.4	I434 N440 G441	I434-A438 PolarHBondContact O-N 3.07Å; A438-N440 PolarHBondContact O-N 3.29Å; A438-G441 PolarHBondContact O-N 2.74Å
439	A	83.2	Confident	88.4	Confident	20 Å²	20	37.4 Å²	37.4	17%	0.165	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	126.1	-175.8	0	0	0	0	0	112.8	D435 G441 G442 V444	D435-A439 WeakPolarHBondContact O-CB 3.27Å; D435-A439 PolarHBondContact O-N 3.27Å; A439-G441 PolarHBondContact O-N 2.8Å; A439-G441 VanDerWaalsContact O-N 3.16Å; A439-G442 PolarHBondContact O-N 2.95Å; A439-V444 HydrophobicContact CB-CB 4.44Å; A439-V444 HydrophobicContact CB-CG2 3.77Å
440	N	77.6	Confident	88.4	Confident	101 Å²	101	36.7 Å²	36.7	54%	0.54	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	24	-178	-54.5	-73.8	0	0	0	114.2	A438 R443 V444	A438-N440 PolarHBondContact O-N 3.29Å; N440-R443 HydrophobicContact CB-CB 3.99Å; N440-R443 WeakPolarHBondContact O-CB 3.44Å; N440-R443 WeakPolarHBondContact O-CD 3.26Å; N440-R443 VanDerWaalsContact O-CG 3.24Å; N440-R443 WeakPolarHBondContact O-CG 3.24Å; N440-V444 HydrophobicContact CB-CG2 4.29Å; N440-V444 VanDerWaalsContact ND2-CG2 3.25Å; N440-V444 WeakPolarHBondContact ND2-CG2 3.12Å
441	G	71.1	Confident	88.5	Confident	70 Å²	70	36.7 Å²	36.7	72%	0.722	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.8	50.8	-179	0	0	0	0	0	112.9	A438 A439 R443	A438-G441 PolarHBondContact O-N 2.74Å; A439-G441 PolarHBondContact O-N 2.8Å; A439-G441 VanDerWaalsContact O-N 3.16Å; G441-R443 PolarHBondContact O-N 3.41Å
442	G	73	Confident	88.7	Confident	26 Å²	26	35.7 Å²	35.7	27%	0.268	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	-1.2	-178.9	0	0	0	0	0	115.4	L437 A439 V444 T445	L437-G442 WeakPolarHBondContact O-CA 3.39Å; L437-G442 PolarHBondContact O-N 3.15Å; A439-G442 PolarHBondContact O-N 2.95Å; G442-V444 PolarHBondContact O-N 3.19Å; G442-T445 CarbonylContact O-C 3.55Å
443	R	78.2	Confident	88.9	Confident	215 Å²	215	34.2 Å²	34.2	81%	0.811	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-5.4	179.7	-64.4	178.2	-178.5	178.5	1.4	114.6	N440 G441	N440-R443 HydrophobicContact CB-CB 3.99Å; N440-R443 WeakPolarHBondContact O-CB 3.44Å; N440-R443 WeakPolarHBondContact O-CD 3.26Å; N440-R443 VanDerWaalsContact O-CG 3.24Å; N440-R443 WeakPolarHBondContact O-CG 3.24Å; G441-R443 PolarHBondContact O-N 3.41Å
444	V	86.7	Confident	89	Confident	9 Å²	9	34.3 Å²	34.3	6%	0.055	19%	0.193	C	C	.	.	S	Bend	trans	-89	-47.5	173.2	178	0	0	0	0	110.9	I416 L419 M436 A439 N440 G442	I416-V444 HydrophobicContact CB-CG1 4.3Å; I416-V444 HydrophobicContact CG1-CG1 4.03Å; I416-V444 HydrophobicContact CG1-CG2 4.23Å; I416-V444 HydrophobicContact CG2-CG1 4.16Å; I416-V444 HydrophobicContact CG2-CG2 3.99Å; L419-V444 HydrophobicContact CB-CG1 3.96Å; L419-V444 HydrophobicContact CD1-CG1 3.92Å; M436-V444 HydrophobicContact SD-CG1 4.15Å; A439-V444 HydrophobicContact CB-CB 4.44Å; A439-V444 HydrophobicContact CB-CG2 3.77Å; N440-V444 HydrophobicContact CB-CG2 4.29Å; N440-V444 VanDerWaalsContact ND2-CG2 3.25Å; N440-V444 WeakPolarHBondContact ND2-CG2 3.12Å; G442-V444 PolarHBondContact O-N 3.19Å
445	T	91.2	Very high	89.2	Confident	11 Å²	11	33.5 Å²	33.5	7%	0.067	19%	0.188	C	C	.	.			trans	-161.1	156.3	174.8	-173.2	0	0	0	0	109.3	P373 L419 I426 M433 M436 L437 G442	P373-T445 WeakPolarHBondContact CD-OG1 3.37Å; L419-T445 HydrophobicContact CD1-CG2 4.19Å; I426-T445 HydrophobicContact CD1-CG2 4.45Å; M433-T445 HydrophobicContact CE-CG2 4.03Å; M436-T445 HydrophobicContact CB-CG2 4.05Å; L437-T445 HydrophobicContact CD2-CG2 4.15Å; G442-T445 CarbonylContact O-C 3.55Å
446	N	91.7	Very high	89.3	Confident	31 Å²	31	30.3 Å²	30.3	17%	0.166	17%	0.171	C	C	.	.			trans	-131.5	177.7	175.1	61.5	76.1	0	0	0	109.8	G370 G372 P373 H448	G370-N446 PolarHBondContact O-ND2 2.65Å; G372-N446 WeakPolarHBondContact CA-O 3.31Å; G372-N446 PolarHBondContact N-OD1 3.41Å; P373-N446 WeakPolarHBondContact CD-O 3.16Å; N446-H448 VanDerWaalsContact CG-CD2 3.49Å; N446-H448 PolarHBondContact OD1-CD2 3.39Å; N446-H448 VanDerWaalsContact OD1-CD2 3.27Å; N446-H448 PolarHBondContact OD1-N 3.47Å
447	L	94	Very high	89.2	Confident	3 Å²	3	31.1 Å²	31.1	2%	0.016	18%	0.175	C	C	.	.	S	Bend	trans	-119	17.1	179.7	-68.2	170.8	0	0	0	113.6	P373 L376 M433 L437 R449 C450 I473 N476	P373-L447 HydrophobicContact CG-CD2 4.25Å; L376-L447 HydrophobicContact CD2-CD1 4.43Å; L376-L447 HydrophobicContact CD2-CD2 4.01Å; M433-L447 HydrophobicContact CE-CD2 4.16Å; L437-L447 HydrophobicContact CD1-CD1 3.68Å; L437-L447 HydrophobicContact CD1-CG 4.43Å; L437-L447 HydrophobicContact CD2-CD1 4.01Å; L437-L447 HydrophobicContact CD2-CG 3.83Å; L447-R449 VanDerWaalsContact C-N 3.35Å; L447-R449 PolarHBondContact O-N 3.07Å; L447-C450 HydrophobicContact CB-CB 4.12Å; L447-C450 HydrophobicContact CD2-CB 3.81Å; L447-C450 WeakPolarHBondContact O-CB 3.27Å; L447-C450 PolarHBondContact O-N 3.26Å; L447-C450 VanDerWaalsContact O-N 3.11Å; L447-I473 HydrophobicContact CD1-CG2 4.04Å; L447-N476 HydrophobicContact CD1-CB 3.91Å
448	H	90.9	Very high	89.1	Confident	72 Å²	72	30.7 Å²	30.7	33%	0.333	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-36	-176.3	-56.9	-59.5	0	0	0	113	Y255 N446	Y255-H448 WeakPolarHBondContact CD1-O 3.13Å; Y255-H448 HydrophobicContact CE1-CB 4.41Å; Y255-H448 VanDerWaalsContact CE1-O 3.3Å; Y255-H448 WeakPolarHBondContact CE1-O 3.2Å; N446-H448 VanDerWaalsContact CG-CD2 3.49Å; N446-H448 PolarHBondContact OD1-CD2 3.39Å; N446-H448 VanDerWaalsContact OD1-CD2 3.27Å; N446-H448 PolarHBondContact OD1-N 3.47Å
449	R	93.1	Very high	89.1	Confident	30 Å²	30	29.3 Å²	29.3	11%	0.113	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-7.1	174.1	-71.8	-163.1	63.4	175.2	-6	114.6	A365 P366 D371 P373 L447 S451	A365-R449 PolarHBondContact O-NH2 3.34Å; P366-R449 PolarHBondContact O-NH1 2.88Å; D371-R449 VanDerWaalsContact OD1-CD 3.29Å; D371-R449 WeakPolarHBondContact OD1-CD 3.47Å; D371-R449 VanDerWaalsContact OD2-CD 3.29Å; D371-R449 WeakPolarHBondContact OD2-CD 3.33Å; D371-R449 IonicContact OD2-CZ 3.73Å; D371-R449 IonicContact OD2-NE 3.6Å; D371-R449 IonicContact OD2-NH1 2.71Å; D371-R449 PolarHBondContact OD2-NH1 3.12Å; P373-R449 CarbonylContact O-C 3.59Å; P373-R449 VanDerWaalsContact O-C 3.3Å; L447-R449 VanDerWaalsContact C-N 3.35Å; L447-R449 PolarHBondContact O-N 3.07Å; R449-S451 PolarHBondContact O-N 3.19Å; R449-S451 PolarHBondContact O-OG 2.9Å
450	C	95.4	Very high	89	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.154	C	C	.	.			trans	-70.1	99.8	-172.9	-173.8	0	0	0	0	111.1	P373 I374 L376 L447 C477 R478	P373-C450 WeakPolarHBondContact O-CA 3.3Å; P373-C450 PolarHBondContact O-N 2.93Å; P373-C450 VanDerWaalsContact O-N 3.13Å; I374-C450 WeakPolarHBondContact O-CA 3.21Å; L376-C450 VanDerWaalsContact CB-SG 3.6Å; L447-C450 HydrophobicContact CB-CB 4.12Å; L447-C450 HydrophobicContact CD2-CB 3.81Å; L447-C450 WeakPolarHBondContact O-CB 3.27Å; L447-C450 PolarHBondContact O-N 3.26Å; L447-C450 VanDerWaalsContact O-N 3.11Å; C450-C477 VanDerWaalsContact SG-SG 3.64Å; C450-R478 WeakPolarHBondContact O-CG 3.35Å
451	S	96.4	Very high	89.4	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.128	C	C	.	.			trans	-112	-6.6	-170.5	44.8	0	0	0	0	113	H360 Q364 I374 R449 R481 Q482	H360-S451 PolarHBondContact NE2-OG 2.81Å; Q364-S451 PolarHBondContact NE2-OG 3.48Å; I374-S451 WeakPolarHBondContact CG2-OG 3.44Å; I374-S451 PolarHBondContact O-N 3.12Å; I374-S451 PolarHBondContact O-OG 3.41Å; R449-S451 PolarHBondContact O-N 3.19Å; R449-S451 PolarHBondContact O-OG 2.9Å; S451-R481 CarbonylContact O-C 3.55Å; S451-R481 WeakPolarHBondContact O-CA 3.35Å; S451-Q482 PolarHBondContact O-N 3.48Å
452	Y	97.5	Very high	90	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.008	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	113.3	178.5	-170.3	-84.8	0	0	0	110.2	I333 F353 L357 I374 A375 L376 V454 Q482 L484	I333-Y452 HydrophobicContact CG2-CE2 3.82Å; I333-Y452 WeakPolarHBondContact CG2-OH 3.19Å; F353-Y452 PolarHBondContact O-OH 3Å; L357-Y452 HydrophobicContact CB-CD1 4.38Å; L357-Y452 HydrophobicContact CB-CE1 3.86Å; L357-Y452 HydrophobicContact CD1-CD1 3.82Å; L357-Y452 HydrophobicContact CD1-CE1 4.18Å; L357-Y452 HydrophobicContact CD1-CG 4.13Å; L357-Y452 HydrophobicContact CD2-CE1 4.44Å; L357-Y452 HydrophobicContact CG-CD1 4.47Å; L357-Y452 HydrophobicContact CG-CE1 4.38Å; I374-Y452 PolarHBondContact O-N 2.85Å; A375-Y452 CarbonylContact C-O 3.33Å; A375-Y452 WeakPolarHBondContact CA-O 3.26Å; A375-Y452 HydrophobicContact CB-CD1 4.22Å; L376-Y452 PolarHBondContact N-O 3.32Å; Y452-V454 HydrophobicContact CD1-CG2 3.99Å; Y452-V454 HydrophobicContact CE1-CG2 3.44Å; Y452-V454 VanDerWaalsContact CE1-CG2 3.44Å; Y452-Q482 WeakPolarHBondContact CA-O 3.37Å; Y452-Q482 HydrophobicContact CD2-CB 4.42Å; Y452-L484 HydrophobicContact CE1-CD1 4.31Å; Y452-L484 HydrophobicContact CE2-CD1 4.27Å; Y452-L484 WeakPolarHBondContact OH-CD1 3.3Å
453	V	97.5	Very high	90.3	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.006	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	133.4	-177.1	178.4	0	0	0	0	110.2	L376 L378 L455 C477 Q482 T483 L484	L376-V453 WeakPolarHBondContact O-CA 3.44Å; L378-V453 HydrophobicContact CD1-CG1 4.46Å; V453-L455 HydrophobicContact CG1-CD2 4.48Å; V453-C477 HydrophobicContact CG2-CB 4.39Å; V453-Q482 PolarHBondContact N-O 3.11Å; V453-T483 HydrophobicContact CB-CG2 4.2Å; V453-T483 HydrophobicContact CG1-CG2 4.28Å; V453-T483 CarbonylContact O-C 3.54Å; V453-T483 WeakPolarHBondContact O-CA 3.29Å; V453-L484 PolarHBondContact O-N 2.82Å
454	V	97.3	Very high	90.5	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.006	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	134.2	175	-174.4	0	0	0	0	110.6	F353 L376 L377 L378 Y452 L484 F486	F353-V454 HydrophobicContact CB-CG1 4.38Å; F353-V454 HydrophobicContact CB-CG2 4.09Å; F353-V454 HydrophobicContact CD1-CG1 3.86Å; F353-V454 HydrophobicContact CD2-CB 4.48Å; F353-V454 HydrophobicContact CD2-CG1 4.03Å; F353-V454 HydrophobicContact CD2-CG2 4.11Å; F353-V454 HydrophobicContact CE1-CG1 3.98Å; F353-V454 HydrophobicContact CE2-CG1 4.18Å; F353-V454 HydrophobicContact CG-CG1 3.86Å; F353-V454 HydrophobicContact CG-CG2 4.19Å; F353-V454 HydrophobicContact CZ-CG1 4.13Å; L376-V454 PolarHBondContact O-N 2.75Å; L377-V454 HydrophobicContact CD2-CB 3.59Å; L377-V454 HydrophobicContact CD2-CG2 3.41Å; L377-V454 VanDerWaalsContact CD2-CG2 3.41Å; L378-V454 PolarHBondContact N-O 3.41Å; Y452-V454 HydrophobicContact CD1-CG2 3.99Å; Y452-V454 HydrophobicContact CE1-CG2 3.44Å; Y452-V454 VanDerWaalsContact CE1-CG2 3.44Å; V454-L484 CarbonylContact C-O 3.58Å; V454-L484 WeakPolarHBondContact CA-O 3.25Å; V454-L484 HydrophobicContact CG2-CB 4.34Å; V454-L484 HydrophobicContact CG2-CD1 4.27Å; V454-F486 HydrophobicContact CG1-CD2 4.1Å
455	L	95.7	Very high	90.4	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	106.5	168.9	-52.3	-178.3	0	0	0	108.2	L378 V453 A458 M461 V470 I474 L484 M485 F486 V501	L378-L455 HydrophobicContact CB-CD2 3.91Å; L378-L455 HydrophobicContact CD1-CD2 3.46Å; L378-L455 VanDerWaalsContact CD1-CD2 3.46Å; L378-L455 HydrophobicContact CG-CD2 4.31Å; V453-L455 HydrophobicContact CG1-CD2 4.48Å; L455-A458 HydrophobicContact CB-CB 3.84Å; L455-M461 HydrophobicContact CB-CE 3.62Å; L455-M461 HydrophobicContact CD2-CE 3.99Å; L455-M461 HydrophobicContact CG-CE 4.34Å; L455-V470 HydrophobicContact CD1-CG1 4.22Å; L455-V470 HydrophobicContact CD2-CG1 4.02Å; L455-I474 HydrophobicContact CD1-CD1 4.22Å; L455-I474 HydrophobicContact CD2-CD1 4.31Å; L455-L484 PolarHBondContact N-O 3.48Å; L455-M485 HydrophobicContact CB-CB 4.43Å; L455-M485 HydrophobicContact CB-CG 4.12Å; L455-M485 HydrophobicContact CD1-CG 4.35Å; L455-M485 HydrophobicContact CD1-SD 4.38Å; L455-F486 PolarHBondContact O-N 3.33Å; L455-V501 HydrophobicContact CD1-CG1 4.28Å
456	D	93.7	Very high	90.2	Very high	5 Å²	5	18.7 Å²	18.7	3%	0.027	10%	0.102	C	C	.	.	S	Bend	trans	-108.1	150.9	176.8	-161.2	10	0	0	0	111.8	F353 L378 P380 I388 A458 F486	F353-D456 HydrophobicContact CE1-CB 4.13Å; F353-D456 WeakPolarHBondContact CE1-OD2 3.46Å; F353-D456 HydrophobicContact CZ-CB 4.17Å; L378-D456 PolarHBondContact O-N 3.17Å; P380-D456 WeakPolarHBondContact CD-O 3.44Å; I388-D456 HydrophobicContact CD1-CB 4.09Å; D456-A458 PolarHBondContact O-N 3.38Å; D456-F486 WeakPolarHBondContact OD1-CB 3.28Å
457	E	88.9	Confident	90.1	Very high	17 Å²	17	20.9 Å²	20.9	8%	0.079	11%	0.111	C	C	.	.	S	Bend	trans	39.3	45.8	-158.5	-70.9	-162.6	174.4	0	0	111.8	P380 L384 D459 R460 M461 F486 R636	P380-E457 HydrophobicContact CG-CB 3.75Å; P380-E457 WeakPolarHBondContact CG-O 3.24Å; L384-E457 HydrophobicContact CD2-CB 3.88Å; L384-E457 HydrophobicContact CD2-CG 3.79Å; E457-D459 PolarHBondContact O-N 3.12Å; E457-R460 HydrophobicContact CB-CB 4.42Å; E457-R460 HydrophobicContact CB-CG 4.41Å; E457-R460 WeakPolarHBondContact O-CA 3.3Å; E457-R460 WeakPolarHBondContact O-CB 3.3Å; E457-R460 PolarHBondContact O-N 2.76Å; E457-M461 PolarHBondContact O-N 2.8Å; E457-F486 PolarHBondContact N-O 2.83Å; E457-R636 IonicContact OE1-NH2 2.69Å
458	A	90.3	Very high	89.9	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64.3	-27.2	-169.6	0	0	0	0	0	113.1	L455 D456 R460 M461 F462 M485 F486 M494	L455-A458 HydrophobicContact CB-CB 3.84Å; D456-A458 PolarHBondContact O-N 3.38Å; A458-R460 PolarHBondContact O-N 2.88Å; A458-M461 HydrophobicContact CB-CE 4Å; A458-M461 PolarHBondContact O-N 2.99Å; A458-M461 VanDerWaalsContact O-N 3.13Å; A458-F462 HydrophobicContact CB-CE2 4.14Å; A458-F462 HydrophobicContact CB-CZ 4.43Å; A458-F462 WeakPolarHBondContact O-CD2 3.41Å; A458-F462 WeakPolarHBondContact O-CE2 3.38Å; A458-F462 PolarHBondContact O-N 3.5Å; A458-M485 HydrophobicContact CB-CG 3.57Å; A458-M485 HydrophobicContact CB-SD 4.04Å; A458-F486 PolarHBondContact N-O 3.42Å; A458-F486 VanDerWaalsContact N-O 3.11Å; A458-M494 HydrophobicContact CB-CE 3.44Å; A458-M494 VanDerWaalsContact CB-CE 3.44Å
459	D	86.7	Confident	90	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.011	13%	0.128	C	C	.	.	H	α-helix	trans	-54	-42.3	168.6	48.4	9.7	0	0	0	111.7	E457 F462 D463 S487 T489 M494 H632	E457-D459 PolarHBondContact O-N 3.12Å; D459-F462 PolarHBondContact O-N 2.9Å; D459-D463 PolarHBondContact O-N 3.46Å; D459-S487 WeakPolarHBondContact CB-OG 3.35Å; D459-S487 PolarHBondContact OD2-OG 3.45Å; D459-T489 VanDerWaalsContact CB-OG1 3.32Å; D459-T489 WeakPolarHBondContact CB-OG1 3.33Å; D459-T489 WeakPolarHBondContact OD2-CB 3.46Å; D459-T489 PolarHBondContact OD2-N 2.79Å; D459-T489 PolarHBondContact OD2-OG1 2.74Å; D459-M494 HydrophobicContact CB-CE 4.31Å; D459-M494 HydrophobicContact CB-SD 3.91Å; D459-M494 VanDerWaalsContact N-CE 3.28Å; D459-H632 IonicContact OD1-CE1 2.67Å; D459-H632 IonicContact OD2-CE1 3.45Å; D459-H632 IonicContact OD2-NE2 2.6Å
460	R	82.9	Confident	89.9	Confident	1 Å²	1	21.9 Å²	21.9	0%	0.004	12%	0.123	C	C	.	.	H	α-helix	trans	-75.6	-21.3	177.9	-56.1	-45.2	179.7	166	-0.8	114.7	P380 E457 A458 F462 D463 L464 E628 D629 H632	P380-R460 HydrophobicContact CB-CB 4.05Å; P380-R460 HydrophobicContact CG-CB 3.8Å; E457-R460 HydrophobicContact CB-CB 4.42Å; E457-R460 HydrophobicContact CB-CG 4.41Å; E457-R460 WeakPolarHBondContact O-CA 3.3Å; E457-R460 WeakPolarHBondContact O-CB 3.3Å; E457-R460 PolarHBondContact O-N 2.76Å; A458-R460 PolarHBondContact O-N 2.88Å; R460-F462 VanDerWaalsContact C-N 3.26Å; R460-D463 WeakPolarHBondContact CD-OD2 3.32Å; R460-D463 IonicContact CZ-OD2 2.7Å; R460-D463 IonicContact NE-OD2 3.63Å; R460-D463 IonicContact NH1-OD2 3.64Å; R460-D463 PolarHBondContact NH1-OD2 3.01Å; R460-L464 WeakPolarHBondContact O-CB 3.39Å; R460-L464 VanDerWaalsContact O-CG 3.24Å; R460-L464 WeakPolarHBondContact O-CG 3.24Å; R460-L464 PolarHBondContact O-N 3.43Å; R460-L464 VanDerWaalsContact O-N 3.16Å; R460-E628 PolarHBondContact NH2-O 3.33Å; R460-D629 IonicContact NH1-OD1 3.19Å; R460-D629 VanDerWaalsContact NH2-CA 3.33Å; R460-H632 PolarHBondContact NE-CE1 3.25Å; R460-H632 PolarHBondContact NE-ND1 3.1Å; R460-H632 PolarHBondContact NH2-CD2 2.78Å; R460-H632 PolarHBondContact NH2-CE1 2.84Å; R460-H632 PolarHBondContact NH2-ND1 3.48Å; R460-H632 PolarHBondContact NH2-NE2 2.88Å
461	M	85.5	Confident	89.7	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-64.9	-35.2	168.2	-71.1	-165	-84.6	0	0	111	L378 P380 P430 L455 E457 A458 F466 V470	L378-M461 HydrophobicContact CB-CE 4.18Å; L378-M461 HydrophobicContact CB-SD 4.09Å; P380-M461 HydrophobicContact CB-CG 3.83Å; P380-M461 HydrophobicContact CG-CG 3.8Å; P430-M461 HydrophobicContact CG-SD 3.75Å; L455-M461 HydrophobicContact CB-CE 3.62Å; L455-M461 HydrophobicContact CD2-CE 3.99Å; L455-M461 HydrophobicContact CG-CE 4.34Å; E457-M461 PolarHBondContact O-N 2.8Å; A458-M461 HydrophobicContact CB-CE 4Å; A458-M461 PolarHBondContact O-N 2.99Å; A458-M461 VanDerWaalsContact O-N 3.13Å; M461-F466 HydrophobicContact CB-CB 4.39Å; M461-F466 WeakPolarHBondContact O-CA 3.42Å; M461-F466 VanDerWaalsContact O-CB 3.29Å; M461-F466 WeakPolarHBondContact O-CB 3.11Å; M461-F466 PolarHBondContact O-N 2.95Å; M461-V470 HydrophobicContact CB-CG2 4.42Å; M461-V470 HydrophobicContact SD-CG2 3.86Å
462	F	83.5	Confident	89.5	Confident	22 Å²	22	28.9 Å²	28.9	10%	0.096	15%	0.151	C	C	.	.	H	α-helix	trans	-84	-35.8	-179.8	-47.3	-44.8	0	0	0	112.6	A458 D459 R460 L464 G465 E467 V470 M494 L497 F700	A458-F462 HydrophobicContact CB-CE2 4.14Å; A458-F462 HydrophobicContact CB-CZ 4.43Å; A458-F462 WeakPolarHBondContact O-CD2 3.41Å; A458-F462 WeakPolarHBondContact O-CE2 3.38Å; A458-F462 PolarHBondContact O-N 3.5Å; D459-F462 PolarHBondContact O-N 2.9Å; R460-F462 VanDerWaalsContact C-N 3.26Å; F462-L464 VanDerWaalsContact C-N 3.27Å; F462-L464 PolarHBondContact O-N 3.41Å; F462-G465 PolarHBondContact O-N 3Å; F462-E467 HydrophobicContact CD1-CB 3.88Å; F462-E467 HydrophobicContact CD1-CG 4.36Å; F462-V470 HydrophobicContact CE1-CB 4.41Å; F462-V470 HydrophobicContact CE1-CG1 4.28Å; F462-V470 HydrophobicContact CE1-CG2 4.5Å; F462-M494 HydrophobicContact CD2-CG 4.19Å; F462-M494 HydrophobicContact CE2-CE 4.24Å; F462-M494 HydrophobicContact CE2-CG 4.16Å; F462-L497 HydrophobicContact CD1-CD2 3.74Å; F462-L497 HydrophobicContact CD2-CD2 4.06Å; F462-L497 HydrophobicContact CE1-CD2 3.2Å; F462-L497 HydrophobicContact CE2-CD2 3.53Å; F462-L497 HydrophobicContact CG-CD2 4.18Å; F462-L497 HydrophobicContact CZ-CD2 3.11Å; F462-F700 HydrophobicContact CB-CZ 4.34Å
463	D	79.7	Confident	89.3	Confident	57 Å²	57	28.8 Å²	28.8	31%	0.305	15%	0.151	S	C	.	.	H	α-helix	trans	-57.9	-37.9	169.9	-70.3	-12.8	0	0	0	113	D459 R460 G465 F700	D459-D463 PolarHBondContact O-N 3.46Å; R460-D463 WeakPolarHBondContact CD-OD2 3.32Å; R460-D463 IonicContact CZ-OD2 2.7Å; R460-D463 IonicContact NE-OD2 3.63Å; R460-D463 IonicContact NH1-OD2 3.64Å; R460-D463 PolarHBondContact NH1-OD2 3.01Å; D463-G465 PolarHBondContact O-N 3.17Å; D463-F700 VanDerWaalsContact OD1-CE2 3.26Å; D463-F700 WeakPolarHBondContact OD1-CE2 3.23Å
464	L	81.2	Confident	89.1	Confident	56 Å²	56	29 Å²	29	29%	0.293	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	6.2	178.2	-65.2	174.2	0	0	0	113	P380 T381 R460 F462 F466 V605	P380-L464 HydrophobicContact CB-CD1 3.95Å; T381-L464 HydrophobicContact CG2-CD1 4.5Å; R460-L464 WeakPolarHBondContact O-CB 3.39Å; R460-L464 VanDerWaalsContact O-CG 3.24Å; R460-L464 WeakPolarHBondContact O-CG 3.24Å; R460-L464 PolarHBondContact O-N 3.43Å; R460-L464 VanDerWaalsContact O-N 3.16Å; F462-L464 VanDerWaalsContact C-N 3.27Å; F462-L464 PolarHBondContact O-N 3.41Å; L464-F466 VanDerWaalsContact C-N 3.35Å; L464-F466 HydrophobicContact CB-CD2 3.83Å; L464-F466 HydrophobicContact CB-CE2 3.79Å; L464-F466 HydrophobicContact CD1-CE2 4.03Å; L464-F466 PolarHBondContact O-N 3.06Å; L464-V605 HydrophobicContact CD2-CG1 4.42Å
465	G	84.8	Confident	88.8	Confident	45 Å²	45	33.3 Å²	33.3	46%	0.464	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	14.5	176.2	0	0	0	0	0	115.4	F462 D463 E467 P468 Q469	F462-G465 PolarHBondContact O-N 3Å; D463-G465 PolarHBondContact O-N 3.17Å; G465-E467 PolarHBondContact O-N 3.15Å; G465-P468 VanDerWaalsContact O-CD 3.31Å; G465-P468 WeakPolarHBondContact O-CD 3.49Å; G465-Q469 PolarHBondContact O-OE1 3.43Å
466	F	88.1	Confident	88.6	Confident	47 Å²	47	33.7 Å²	33.7	21%	0.206	17%	0.174	C	C	.	.			trans	-77.8	6.5	178.7	-62.2	-59.4	0	0	0	114.6	P380 P430 M461 L464 Q469 V470	P380-F466 WeakPolarHBondContact O-CE2 3.36Å; P430-F466 HydrophobicContact CB-CB 4.25Å; P430-F466 HydrophobicContact CB-CD1 4.35Å; P430-F466 HydrophobicContact CB-CG 4.34Å; P430-F466 HydrophobicContact CG-CB 4.15Å; P430-F466 HydrophobicContact CG-CG 4.23Å; M461-F466 HydrophobicContact CB-CB 4.39Å; M461-F466 WeakPolarHBondContact O-CA 3.42Å; M461-F466 VanDerWaalsContact O-CB 3.29Å; M461-F466 WeakPolarHBondContact O-CB 3.11Å; M461-F466 PolarHBondContact O-N 2.95Å; L464-F466 VanDerWaalsContact C-N 3.35Å; L464-F466 HydrophobicContact CB-CD2 3.83Å; L464-F466 HydrophobicContact CB-CE2 3.79Å; L464-F466 HydrophobicContact CD1-CE2 4.03Å; L464-F466 PolarHBondContact O-N 3.06Å; F466-Q469 PolarHBondContact O-N 3.13Å; F466-Q469 VanDerWaalsContact O-N 3.16Å; F466-V470 HydrophobicContact CB-CG2 4.25Å; F466-V470 WeakPolarHBondContact O-CB 3.38Å; F466-V470 WeakPolarHBondContact O-CG2 3.23Å; F466-V470 PolarHBondContact O-N 3.17Å
467	E	88.7	Confident	88.6	Confident	78 Å²	78	33.4 Å²	33.4	36%	0.364	17%	0.172	S	C	.	.	H	α-helix	trans	-51.3	-48.1	177.8	-173.3	-177.2	164	0	0	112.5	F462 G465 Q469 V470 M471 L497 K500	F462-E467 HydrophobicContact CD1-CB 3.88Å; F462-E467 HydrophobicContact CD1-CG 4.36Å; G465-E467 PolarHBondContact O-N 3.15Å; E467-Q469 PolarHBondContact O-N 3.44Å; E467-V470 PolarHBondContact O-N 3.07Å; E467-M471 HydrophobicContact CG-CG 4.42Å; E467-M471 WeakPolarHBondContact O-CB 3.46Å; E467-M471 VanDerWaalsContact O-CG 3.3Å; E467-M471 WeakPolarHBondContact O-CG 3.48Å; E467-M471 PolarHBondContact O-N 2.93Å; E467-L497 HydrophobicContact CG-CD1 3.95Å; E467-L497 HydrophobicContact CG-CD2 4.17Å; E467-K500 IonicContact OE1-NZ 3.19Å; E467-K500 PolarHBondContact OE1-NZ 3.49Å
468	P	90.2	Very high	88.8	Confident	68 Å²	68	33.2 Å²	33.2	44%	0.442	17%	0.171	S	C	.	.	H	α-helix	trans	-64.9	-36.5	179.5	-20.8	34.2	0	0	0	113.4	G465 R472	G465-P468 VanDerWaalsContact O-CD 3.31Å; G465-P468 WeakPolarHBondContact O-CD 3.49Å; P468-R472 VanDerWaalsContact O-CG 3.3Å; P468-R472 WeakPolarHBondContact O-CG 3.45Å; P468-R472 PolarHBondContact O-N 3.4Å; P468-R472 VanDerWaalsContact O-N 3.13Å
469	Q	91.8	Very high	88.9	Confident	57 Å²	57	36.7 Å²	36.7	27%	0.266	19%	0.194	S	C	.	.	H	α-helix	trans	-71	-46.1	179.6	-67.9	82.1	-12.4	0	0	110.8	P430 I434 G465 F466 E467 M471 R472 I473	P430-Q469 HydrophobicContact CB-CB 3.84Å; I434-Q469 HydrophobicContact CD1-CB 3.62Å; I434-Q469 HydrophobicContact CD1-CG 3.75Å; G465-Q469 PolarHBondContact O-OE1 3.43Å; F466-Q469 PolarHBondContact O-N 3.13Å; F466-Q469 VanDerWaalsContact O-N 3.16Å; E467-Q469 PolarHBondContact O-N 3.44Å; Q469-M471 VanDerWaalsContact C-N 3.35Å; Q469-M471 PolarHBondContact O-N 2.84Å; Q469-R472 PolarHBondContact O-N 3.1Å; Q469-I473 WeakPolarHBondContact O-CD1 3.36Å; Q469-I473 VanDerWaalsContact O-CG1 3.3Å; Q469-I473 WeakPolarHBondContact O-CG1 3.27Å; Q469-I473 PolarHBondContact O-N 2.85Å; Q469-I473 VanDerWaalsContact O-N 3.13Å
470	V	92.4	Very high	89.2	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.6	-44.3	176.8	170	0	0	0	0	110.5	P430 L455 M461 F462 F466 E467 I473 I474	P430-V470 HydrophobicContact CB-CG2 4.02Å; P430-V470 HydrophobicContact CG-CG2 3.67Å; L455-V470 HydrophobicContact CD1-CG1 4.22Å; L455-V470 HydrophobicContact CD2-CG1 4.02Å; M461-V470 HydrophobicContact CB-CG2 4.42Å; M461-V470 HydrophobicContact SD-CG2 3.86Å; F462-V470 HydrophobicContact CE1-CB 4.41Å; F462-V470 HydrophobicContact CE1-CG1 4.28Å; F462-V470 HydrophobicContact CE1-CG2 4.5Å; F466-V470 HydrophobicContact CB-CG2 4.25Å; F466-V470 WeakPolarHBondContact O-CB 3.38Å; F466-V470 WeakPolarHBondContact O-CG2 3.23Å; F466-V470 PolarHBondContact O-N 3.17Å; E467-V470 PolarHBondContact O-N 3.07Å; V470-I473 PolarHBondContact O-N 2.82Å; V470-I474 HydrophobicContact CG1-CD1 3.5Å; V470-I474 HydrophobicContact CG1-CG1 4.49Å; V470-I474 WeakPolarHBondContact O-CB 3.38Å; V470-I474 WeakPolarHBondContact O-CD1 3.4Å; V470-I474 WeakPolarHBondContact O-CG1 3.27Å; V470-I474 PolarHBondContact O-N 2.72Å; V470-I474 VanDerWaalsContact O-N 3.09Å
471	M	91.1	Very high	89.8	Confident	33 Å²	33	41.2 Å²	41.2	16%	0.163	22%	0.216	C	C	.	.	H	α-helix	trans	-59.9	-50.7	175.4	-73.7	-64.4	-60.4	0	0	112.4	E467 Q469 I473 I474 E475 L497 K500 V501	E467-M471 HydrophobicContact CG-CG 4.42Å; E467-M471 WeakPolarHBondContact O-CB 3.46Å; E467-M471 VanDerWaalsContact O-CG 3.3Å; E467-M471 WeakPolarHBondContact O-CG 3.48Å; E467-M471 PolarHBondContact O-N 2.93Å; Q469-M471 VanDerWaalsContact C-N 3.35Å; Q469-M471 PolarHBondContact O-N 2.84Å; M471-I473 VanDerWaalsContact C-N 3.29Å; M471-I473 PolarHBondContact O-N 2.72Å; M471-I474 CarbonylContact O-C 3.57Å; M471-I474 PolarHBondContact O-N 2.69Å; M471-E475 WeakPolarHBondContact CE-OE1 3.49Å; M471-E475 WeakPolarHBondContact O-CB 3.47Å; M471-E475 VanDerWaalsContact O-CG 3.27Å; M471-E475 WeakPolarHBondContact O-CG 3.39Å; M471-E475 PolarHBondContact O-N 3.01Å; M471-L497 HydrophobicContact CG-CD1 4.1Å; M471-L497 HydrophobicContact SD-CD1 3.53Å; M471-L497 VanDerWaalsContact SD-CD1 3.53Å; M471-K500 HydrophobicContact CE-CB 4.42Å; M471-K500 HydrophobicContact CE-CD 4.27Å; M471-V501 HydrophobicContact SD-CG2 3.77Å
472	R	91.4	Very high	90.4	Very high	115 Å²	115	41.3 Å²	41.3	43%	0.434	22%	0.216	S	C	.	.	H	α-helix	trans	-57.4	-38.8	179.2	-73.4	173.2	-170	172.9	3.8	113.6	I434 P468 Q469 E475 N476	I434-R472 HydrophobicContact CD1-CB 4.37Å; P468-R472 VanDerWaalsContact O-CG 3.3Å; P468-R472 WeakPolarHBondContact O-CG 3.45Å; P468-R472 PolarHBondContact O-N 3.4Å; P468-R472 VanDerWaalsContact O-N 3.13Å; Q469-R472 PolarHBondContact O-N 3.1Å; R472-E475 PolarHBondContact O-N 2.79Å; R472-N476 PolarHBondContact O-N 3.21Å; R472-N476 PolarHBondContact O-ND2 2.76Å
473	I	93.4	Very high	91	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-65.5	-44.6	176.3	-68.3	165.4	0	0	0	110.3	L376 L378 P430 M433 I434 L447 Q469 V470 M471 E475 N476 C477	L376-I473 HydrophobicContact CD2-CG2 3.38Å; L378-I473 HydrophobicContact CD1-CG2 4.16Å; L378-I473 HydrophobicContact CD2-CD1 3.91Å; P430-I473 HydrophobicContact CB-CD1 4.09Å; M433-I473 HydrophobicContact CB-CD1 4.03Å; M433-I473 HydrophobicContact CG-CD1 4.25Å; I434-I473 HydrophobicContact CD1-CG1 4.35Å; I434-I473 HydrophobicContact CG1-CD1 4.1Å; I434-I473 HydrophobicContact CG1-CG1 3.85Å; L447-I473 HydrophobicContact CD1-CG2 4.04Å; Q469-I473 WeakPolarHBondContact O-CD1 3.36Å; Q469-I473 VanDerWaalsContact O-CG1 3.3Å; Q469-I473 WeakPolarHBondContact O-CG1 3.27Å; Q469-I473 PolarHBondContact O-N 2.85Å; Q469-I473 VanDerWaalsContact O-N 3.13Å; V470-I473 PolarHBondContact O-N 2.82Å; M471-I473 VanDerWaalsContact C-N 3.29Å; M471-I473 PolarHBondContact O-N 2.72Å; I473-E475 VanDerWaalsContact C-N 3.3Å; I473-E475 PolarHBondContact O-N 2.91Å; I473-N476 WeakPolarHBondContact O-CB 3.42Å; I473-N476 PolarHBondContact O-N 3.35Å; I473-C477 PolarHBondContact O-N 3.05Å; I473-C477 VanDerWaalsContact O-N 3.11Å
474	I	93.1	Very high	91.8	Very high	6 Å²	6	37.6 Å²	37.6	3%	0.031	20%	0.197	C	C	.	.	H	α-helix	trans	-68.7	-29.3	-179.9	-69.2	168.4	0	0	0	111.9	L455 V470 M471 N476 R481 V501	L455-I474 HydrophobicContact CD1-CD1 4.22Å; L455-I474 HydrophobicContact CD2-CD1 4.31Å; V470-I474 HydrophobicContact CG1-CD1 3.5Å; V470-I474 HydrophobicContact CG1-CG1 4.49Å; V470-I474 WeakPolarHBondContact O-CB 3.38Å; V470-I474 WeakPolarHBondContact O-CD1 3.4Å; V470-I474 WeakPolarHBondContact O-CG1 3.27Å; V470-I474 PolarHBondContact O-N 2.72Å; V470-I474 VanDerWaalsContact O-N 3.09Å; M471-I474 CarbonylContact O-C 3.57Å; M471-I474 PolarHBondContact O-N 2.69Å; I474-N476 VanDerWaalsContact C-N 3.28Å; I474-R481 PolarHBondContact O-NH1 3.27Å; I474-V501 HydrophobicContact CD1-CG1 3.76Å; I474-V501 HydrophobicContact CD1-CG2 3.97Å; I474-V501 HydrophobicContact CG2-CG1 4.34Å
475	E	91.4	Very high	92.5	Very high	90 Å²	90	35 Å²	35	42%	0.421	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-8.2	170.7	-69.8	160.8	-174.2	0	0	113.4	H250 M471 R472 I473	H250-E475 PolarHBondContact NE2-O 3.28Å; M471-E475 WeakPolarHBondContact CE-OE1 3.49Å; M471-E475 WeakPolarHBondContact O-CB 3.47Å; M471-E475 VanDerWaalsContact O-CG 3.27Å; M471-E475 WeakPolarHBondContact O-CG 3.39Å; M471-E475 PolarHBondContact O-N 3.01Å; R472-E475 PolarHBondContact O-N 2.79Å; I473-E475 VanDerWaalsContact C-N 3.3Å; I473-E475 PolarHBondContact O-N 2.91Å
476	N	91.3	Very high	92.9	Very high	8 Å²	8	32.9 Å²	32.9	4%	0.043	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-24.5	172.1	-86.7	-110.1	0	0	0	112.4	I248 L447 R472 I473 I474	I248-N476 HydrophobicContact CD1-CB 4.19Å; I248-N476 WeakPolarHBondContact CD1-OD1 3.44Å; I248-N476 WeakPolarHBondContact CG1-OD1 3.38Å; L447-N476 HydrophobicContact CD1-CB 3.91Å; R472-N476 PolarHBondContact O-N 3.21Å; R472-N476 PolarHBondContact O-ND2 2.76Å; I473-N476 WeakPolarHBondContact O-CB 3.42Å; I473-N476 PolarHBondContact O-N 3.35Å; I474-N476 VanDerWaalsContact C-N 3.28Å
477	C	93.4	Very high	93	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	-71.8	144.2	169.7	-67	0	0	0	0	111.6	H250 C450 V453 I473 R481	H250-C477 PolarHBondContact CE1-O 2.91Å; H250-C477 VanDerWaalsContact CE1-O 3.31Å; C450-C477 VanDerWaalsContact SG-SG 3.64Å; V453-C477 HydrophobicContact CG2-CB 4.39Å; I473-C477 PolarHBondContact O-N 3.05Å; I473-C477 VanDerWaalsContact O-N 3.11Å; C477-R481 PolarHBondContact O-NH1 3.13Å
478	R	93.7	Very high	92.8	Very high	12 Å²	12	27.4 Å²	27.4	5%	0.045	14%	0.138	C	C	.	.			trans	-50.2	142.1	174.8	68.1	-168.1	-74.3	168.4	-4.4	112.5	Y255 F256 C450 D480 R481	Y255-R478 HydrophobicContact CD1-CB 3.84Å; Y255-R478 HydrophobicContact CE1-CB 3.53Å; Y255-R478 HydrophobicContact CE2-CB 4.32Å; Y255-R478 HydrophobicContact CG-CB 4.36Å; F256-R478 PolarHBondContact O-NH1 2.92Å; F256-R478 PolarHBondContact O-NH2 2.66Å; C450-R478 WeakPolarHBondContact O-CG 3.35Å; R478-D480 VanDerWaalsContact C-N 3.32Å; R478-D480 WeakPolarHBondContact CB-OD1 3.21Å; R478-D480 WeakPolarHBondContact CG-OD1 3.25Å; R478-D480 IonicContact CZ-OD1 2.69Å; R478-D480 IonicContact CZ-OD2 3.07Å; R478-D480 IonicContact NE-OD1 2.72Å; R478-D480 PolarHBondContact NE-OD1 3Å; R478-D480 IonicContact NE-OD2 2.72Å; R478-D480 PolarHBondContact NE-OD2 3.33Å; R478-D480 IonicContact NH2-OD1 2.82Å; R478-D480 IonicContact NH2-OD2 3.7Å; R478-D480 PolarHBondContact NH2-OD2 2.68Å; R478-D480 PolarHBondContact O-N 2.82Å; R478-R481 HydrophobicContact CG-CB 4.23Å; R478-R481 WeakPolarHBondContact O-CB 3.15Å; R478-R481 WeakPolarHBondContact O-CD 3.27Å; R478-R481 VanDerWaalsContact O-CG 3.25Å; R478-R481 WeakPolarHBondContact O-CG 3.15Å; R478-R481 PolarHBondContact O-N 2.91Å; R478-R481 PolarHBondContact O-NH1 2.95Å
479	P	92.1	Very high	92.3	Very high	74 Å²	74	24.2 Å²	24.2	48%	0.481	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-27.9	-172.2	27.8	-35.3	0	0	0	113.1	R481	P479-R481 VanDerWaalsContact C-N 3.31Å; P479-R481 PolarHBondContact O-N 3.06Å
480	D	94	Very high	92	Very high	69 Å²	69	21.9 Å²	21.9	37%	0.369	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	9.6	-179.1	68.7	-41.2	0	0	0	113.9	F258 K260 R478	F258-D480 WeakPolarHBondContact CE1-OD2 3.43Å; F258-D480 WeakPolarHBondContact CZ-O 3.16Å; K260-D480 WeakPolarHBondContact CE-O 3.34Å; K260-D480 PolarHBondContact NZ-O 3.18Å; R478-D480 VanDerWaalsContact C-N 3.32Å; R478-D480 WeakPolarHBondContact CB-OD1 3.21Å; R478-D480 WeakPolarHBondContact CG-OD1 3.25Å; R478-D480 IonicContact CZ-OD1 2.69Å; R478-D480 IonicContact CZ-OD2 3.07Å; R478-D480 IonicContact NE-OD1 2.72Å; R478-D480 PolarHBondContact NE-OD1 3Å; R478-D480 IonicContact NE-OD2 2.72Å; R478-D480 PolarHBondContact NE-OD2 3.33Å; R478-D480 IonicContact NH2-OD1 2.82Å; R478-D480 IonicContact NH2-OD2 3.7Å; R478-D480 PolarHBondContact NH2-OD2 2.68Å; R478-D480 PolarHBondContact O-N 2.82Å
481	R	95.2	Very high	91.3	Very high	28 Å²	28	22.5 Å²	22.5	11%	0.106	11%	0.111	C	C	.	.	S	Bend	trans	-51.5	165	169.4	64.4	-177.8	174	-95.9	-6.6	113.5	K260 S451 I474 C477 R478 P479 T483	K260-R481 VanDerWaalsContact NZ-C 3.3Å; K260-R481 PolarHBondContact NZ-O 3.5Å; S451-R481 CarbonylContact O-C 3.55Å; S451-R481 WeakPolarHBondContact O-CA 3.35Å; I474-R481 PolarHBondContact O-NH1 3.27Å; C477-R481 PolarHBondContact O-NH1 3.13Å; R478-R481 HydrophobicContact CG-CB 4.23Å; R478-R481 WeakPolarHBondContact O-CB 3.15Å; R478-R481 WeakPolarHBondContact O-CD 3.27Å; R478-R481 VanDerWaalsContact O-CG 3.25Å; R478-R481 WeakPolarHBondContact O-CG 3.15Å; R478-R481 PolarHBondContact O-N 2.91Å; R478-R481 PolarHBondContact O-NH1 2.95Å; P479-R481 VanDerWaalsContact C-N 3.31Å; P479-R481 PolarHBondContact O-N 3.06Å; R481-T483 WeakPolarHBondContact CD-OG1 3.47Å; R481-T483 PolarHBondContact NE-OG1 2.87Å; R481-T483 VanDerWaalsContact NE-OG1 3.14Å
482	Q	97.1	Very high	90.8	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.009	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	134.7	159	-173.4	175.8	15.7	0	0	109.1	K260 I333 R337 D338 S451 Y452 V453 L484	K260-Q482 HydrophobicContact CD-CB 4.44Å; I333-Q482 PolarHBondContact O-NE2 3.02Å; R337-Q482 PolarHBondContact O-NE2 2.92Å; D338-Q482 WeakPolarHBondContact OD1-CA 3.46Å; S451-Q482 PolarHBondContact O-N 3.48Å; Y452-Q482 WeakPolarHBondContact CA-O 3.37Å; Y452-Q482 HydrophobicContact CD2-CB 4.42Å; V453-Q482 PolarHBondContact N-O 3.11Å; Q482-L484 HydrophobicContact CG-CD2 4.32Å
483	T	97	Very high	90.3	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.006	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	128.6	-178.4	-42.4	0	0	0	0	111.2	D338 M339 V453 R481 V501 L502	D338-T483 VanDerWaalsContact CA-O 3.23Å; D338-T483 WeakPolarHBondContact CA-O 3.33Å; D338-T483 VanDerWaalsContact CB-O 3.23Å; D338-T483 WeakPolarHBondContact CB-O 3.38Å; D338-T483 VanDerWaalsContact CG-O 3.24Å; D338-T483 PolarHBondContact OD1-N 3.17Å; M339-T483 PolarHBondContact N-O 3.37Å; V453-T483 HydrophobicContact CB-CG2 4.2Å; V453-T483 HydrophobicContact CG1-CG2 4.28Å; V453-T483 CarbonylContact O-C 3.54Å; V453-T483 WeakPolarHBondContact O-CA 3.29Å; R481-T483 WeakPolarHBondContact CD-OG1 3.47Å; R481-T483 PolarHBondContact NE-OG1 2.87Å; R481-T483 VanDerWaalsContact NE-OG1 3.14Å; T483-V501 HydrophobicContact CG2-CG1 3.86Å; T483-L502 HydrophobicContact CG2-CD2 3.46Å; T483-L502 VanDerWaalsContact CG2-CD2 3.46Å
484	L	96.9	Very high	89.8	Confident	0 Å²	0	28 Å²	28	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	138.4	178.2	-48.4	-179.2	0	0	0	110.3	I333 M339 F353 Y452 V453 V454 L455 Q482 F486	I333-L484 HydrophobicContact CB-CD1 4.47Å; I333-L484 HydrophobicContact CD1-CD1 3.6Å; I333-L484 HydrophobicContact CG1-CD1 3.7Å; I333-L484 HydrophobicContact CG1-CD2 3.93Å; I333-L484 HydrophobicContact CG2-CD1 3.89Å; I333-L484 HydrophobicContact CG2-CD2 4.46Å; M339-L484 HydrophobicContact CB-CD2 3.78Å; F353-L484 HydrophobicContact CB-CD1 3.94Å; Y452-L484 HydrophobicContact CE1-CD1 4.31Å; Y452-L484 HydrophobicContact CE2-CD1 4.27Å; Y452-L484 WeakPolarHBondContact OH-CD1 3.3Å; V453-L484 PolarHBondContact O-N 2.82Å; V454-L484 CarbonylContact C-O 3.58Å; V454-L484 WeakPolarHBondContact CA-O 3.25Å; V454-L484 HydrophobicContact CG2-CB 4.34Å; V454-L484 HydrophobicContact CG2-CD1 4.27Å; L455-L484 PolarHBondContact N-O 3.48Å; Q482-L484 HydrophobicContact CG-CD2 4.32Å; L484-F486 HydrophobicContact CB-CD2 4.37Å; L484-F486 HydrophobicContact CB-CE2 3.92Å; L484-F486 HydrophobicContact CD1-CE2 4.15Å
485	M	95.4	Very high	89.4	Confident	2 Å²	2	30 Å²	30	1%	0.01	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	119.1	175.1	-172.8	173.5	69.2	0	0	110.6	M339 I340 G341 L455 A458 F490 M494 A498 L502	M339-M485 PolarHBondContact O-N 3.44Å; I340-M485 CarbonylContact C-O 3.56Å; I340-M485 WeakPolarHBondContact CA-O 3.49Å; I340-M485 HydrophobicContact CG1-CE 4.22Å; I340-M485 HydrophobicContact CG2-CE 4.02Å; G341-M485 PolarHBondContact N-O 2.78Å; L455-M485 HydrophobicContact CB-CB 4.43Å; L455-M485 HydrophobicContact CB-CG 4.12Å; L455-M485 HydrophobicContact CD1-CG 4.35Å; L455-M485 HydrophobicContact CD1-SD 4.38Å; A458-M485 HydrophobicContact CB-CG 3.57Å; A458-M485 HydrophobicContact CB-SD 4.04Å; M485-F490 HydrophobicContact CE-CE2 3.76Å; M485-M494 HydrophobicContact CE-CE 3.84Å; M485-M494 HydrophobicContact CE-CG 4.05Å; M485-M494 HydrophobicContact CG-CE 3.97Å; M485-M494 HydrophobicContact SD-CE 3.59Å; M485-M494 VanDerWaalsContact SD-CE 3.59Å; M485-M494 HydrophobicContact SD-CG 4.31Å; M485-A498 HydrophobicContact CE-CB 3.73Å; M485-L502 HydrophobicContact CB-CD1 4.3Å
486	F	93.8	Very high	89.2	Confident	0 Å²	0	30 Å²	30	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	140.1	178.8	-75.8	-83.4	0	0	0	111.1	I325 I333 M339 G341 K349 A352 F353 V454 L455 D456 E457 A458 L484	I325-F486 HydrophobicContact CG1-CE1 4.36Å; I333-F486 HydrophobicContact CD1-CZ 4.39Å; M339-F486 HydrophobicContact SD-CE1 4Å; M339-F486 HydrophobicContact SD-CZ 3.71Å; G341-F486 WeakPolarHBondContact O-CA 3.3Å; K349-F486 HydrophobicContact CB-CD1 4.19Å; K349-F486 HydrophobicContact CD-CB 4.19Å; K349-F486 HydrophobicContact CD-CD1 3.96Å; K349-F486 HydrophobicContact CG-CD1 4.3Å; A352-F486 HydrophobicContact CB-CZ 4.45Å; F353-F486 HydrophobicContact CB-CE2 3.89Å; F353-F486 HydrophobicContact CB-CZ 4.49Å; F353-F486 AromaticContact CD1-CD2 3.59Å; F353-F486 HydrophobicContact CD1-CD2 3.59Å; F353-F486 AromaticContact CD1-CE2 3.6Å; F353-F486 HydrophobicContact CD1-CE2 3.6Å; F353-F486 HydrophobicContact CD1-CG 4.27Å; F353-F486 HydrophobicContact CD1-CZ 4.26Å; F353-F486 HydrophobicContact CE1-CD2 4.14Å; F353-F486 HydrophobicContact CG-CD2 4.49Å; F353-F486 HydrophobicContact CG-CE2 4.2Å; V454-F486 HydrophobicContact CG1-CD2 4.1Å; L455-F486 PolarHBondContact O-N 3.33Å; D456-F486 WeakPolarHBondContact OD1-CB 3.28Å; E457-F486 PolarHBondContact N-O 2.83Å; A458-F486 PolarHBondContact N-O 3.42Å; A458-F486 VanDerWaalsContact N-O 3.11Å; L484-F486 HydrophobicContact CB-CD2 4.37Å; L484-F486 HydrophobicContact CB-CE2 3.92Å; L484-F486 HydrophobicContact CD1-CE2 4.15Å
487	S	90.3	Very high	88.8	Confident	1 Å²	1	29.8 Å²	29.8	1%	0.007	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	161.8	-174	-156.9	0	0	0	0	111.5	G341 A343 D459 T489 M494	G341-S487 PolarHBondContact O-N 3.34Å; A343-S487 PolarHBondContact N-O 2.87Å; A343-S487 VanDerWaalsContact O-O 3.06Å; D459-S487 WeakPolarHBondContact CB-OG 3.35Å; D459-S487 PolarHBondContact OD2-OG 3.45Å; S487-T489 WeakPolarHBondContact CB-O 3.21Å; S487-T489 PolarHBondContact OG-N 3.05Å; S487-T489 PolarHBondContact OG-O 3.31Å; S487-M494 WeakPolarHBondContact OG-CE 3.36Å
488	A	83.6	Confident	88.5	Confident	9 Å²	9	30 Å²	30	7%	0.074	14%	0.144	C	C	.	.	S	Bend	trans	-98.5	-30.3	164.6	0	0	0	0	0	111.7	A343	A343-A488 WeakPolarHBondContact O-CA 3.41Å
489	T	79.9	Confident	88.2	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.012	18%	0.179	C	C	.	.			trans	-116.3	160.5	179.1	77	0	0	0	0	110.2	D459 S487 S514 E628	D459-T489 VanDerWaalsContact CB-OG1 3.32Å; D459-T489 WeakPolarHBondContact CB-OG1 3.33Å; D459-T489 WeakPolarHBondContact OD2-CB 3.46Å; D459-T489 PolarHBondContact OD2-N 2.79Å; D459-T489 PolarHBondContact OD2-OG1 2.74Å; S487-T489 WeakPolarHBondContact CB-O 3.21Å; S487-T489 PolarHBondContact OG-N 3.05Å; S487-T489 PolarHBondContact OG-O 3.31Å; T489-S514 WeakPolarHBondContact CA-OG 3.36Å; T489-S514 VanDerWaalsContact CB-OG 3.26Å; T489-S514 WeakPolarHBondContact CB-OG 3.39Å; T489-S514 WeakPolarHBondContact CG2-OG 3.36Å; T489-E628 HydrophobicContact CG2-CB 3.93Å; T489-E628 HydrophobicContact CG2-CG 3.74Å
490	F	85	Confident	87.9	Confident	7 Å²	7	41.6 Å²	41.6	3%	0.031	18%	0.182	C	C	.	.			trans	-144.3	77.9	178.3	-161.1	-138.8	0	0	0	110.6	I340 I342 M485 M494 E495 A498 R513	I340-F490 HydrophobicContact CD1-CZ 3.87Å; I340-F490 HydrophobicContact CG2-CD2 4.34Å; I340-F490 HydrophobicContact CG2-CE1 4.22Å; I340-F490 HydrophobicContact CG2-CE2 3.87Å; I340-F490 HydrophobicContact CG2-CZ 3.82Å; I342-F490 HydrophobicContact CD1-CB 3.76Å; I342-F490 HydrophobicContact CD1-CD1 3.38Å; I342-F490 HydrophobicContact CD1-CE1 4.11Å; I342-F490 HydrophobicContact CD1-CG 3.7Å; I342-F490 HydrophobicContact CG1-CB 4.19Å; I342-F490 HydrophobicContact CG1-CD1 4.33Å; I342-F490 HydrophobicContact CG1-CG 4.23Å; M485-F490 HydrophobicContact CE-CE2 3.76Å; F490-M494 HydrophobicContact CD2-CB 4.09Å; F490-M494 HydrophobicContact CD2-CG 3.84Å; F490-M494 HydrophobicContact CD2-SD 3.73Å; F490-M494 HydrophobicContact CE2-CB 4.22Å; F490-M494 HydrophobicContact CE2-CG 3.9Å; F490-M494 HydrophobicContact CE2-SD 4.32Å; F490-E495 HydrophobicContact CD1-CG 3.78Å; F490-E495 HydrophobicContact CD2-CG 4.49Å; F490-E495 HydrophobicContact CE1-CB 4.5Å; F490-E495 HydrophobicContact CE1-CG 3.3Å; F490-E495 HydrophobicContact CE2-CG 4.05Å; F490-E495 HydrophobicContact CG-CG 4.34Å; F490-E495 HydrophobicContact CZ-CB 4.2Å; F490-E495 HydrophobicContact CZ-CG 3.41Å; F490-E495 VanDerWaalsContact CZ-CG 3.41Å; F490-A498 HydrophobicContact CZ-CB 4.4Å; F490-R513 HydrophobicContact CB-CG 4.44Å; F490-R513 WeakPolarHBondContact O-CD 3.34Å; F490-R513 PolarHBondContact O-NH1 3.31Å
491	P	78.7	Confident	87.8	Confident	14 Å²	14	38.5 Å²	38.5	9%	0.091	17%	0.166	C	C	.	.			trans	-72.7	161.9	176.8	29	-33.2	0	0	0	111.9	Q493 M494 E495 F700	P491-Q493 PolarHBondContact O-N 3.13Å; P491-M494 HydrophobicContact CG-CB 3.92Å; P491-M494 WeakPolarHBondContact O-CB 3.24Å; P491-M494 PolarHBondContact O-N 2.87Å; P491-E495 PolarHBondContact O-N 2.95Å; P491-F700 HydrophobicContact CB-CB 4.03Å; P491-F700 HydrophobicContact CB-CD2 3.64Å; P491-F700 HydrophobicContact CB-CE2 4.28Å; P491-F700 HydrophobicContact CB-CG 3.89Å; P491-F700 HydrophobicContact CG-CD2 3.53Å; P491-F700 HydrophobicContact CG-CE2 3.65Å; P491-F700 HydrophobicContact CG-CG 4.16Å; P491-F700 HydrophobicContact CG-CZ 4.37Å
492	R	81.1	Confident	87.6	Confident	188 Å²	188	37.7 Å²	37.7	71%	0.709	16%	0.164	S	C	*	.	H	α-helix	trans	-60.9	-29.9	-174.8	-176.7	177.3	175.5	-176.8	-1.4	113.6	E495 I496	R492-E495 WeakPolarHBondContact O-CB 3.3Å; R492-E495 PolarHBondContact O-N 3.41Å; R492-I496 WeakPolarHBondContact O-CG1 3.21Å; R492-I496 PolarHBondContact O-N 3.1Å; R492-I496 VanDerWaalsContact O-N 3.1Å
493	Q	79.5	Confident	87.4	Confident	73 Å²	73	42.2 Å²	42.2	34%	0.341	19%	0.191	S	C	.	.	H	α-helix	trans	-70.8	-38.6	177.4	-72.4	81.4	-28.7	0	0	110.8	P491 E495 I496 L497 F700	P491-Q493 PolarHBondContact O-N 3.13Å; Q493-E495 VanDerWaalsContact C-N 3.35Å; Q493-I496 WeakPolarHBondContact O-CB 3.4Å; Q493-I496 PolarHBondContact O-N 2.87Å; Q493-I496 VanDerWaalsContact O-N 3.12Å; Q493-L497 PolarHBondContact O-N 2.69Å; Q493-F700 HydrophobicContact CB-CD1 3.53Å; Q493-F700 HydrophobicContact CB-CE1 3.58Å; Q493-F700 HydrophobicContact CB-CG 4.47Å; Q493-F700 HydrophobicContact CG-CD1 3.51Å; Q493-F700 HydrophobicContact CG-CE1 3.97Å; Q493-F700 HydrophobicContact CG-CG 4.5Å; Q493-F700 PolarHBondContact NE2-O 3.27Å; Q493-F700 VanDerWaalsContact NE2-O 3.11Å
494	M	84.1	Confident	87.2	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-66.6	-35.7	171.2	-164.1	178.4	-172.3	0	0	111.8	A458 D459 F462 M485 S487 F490 P491 I496 L497 A498	A458-M494 HydrophobicContact CB-CE 3.44Å; A458-M494 VanDerWaalsContact CB-CE 3.44Å; D459-M494 HydrophobicContact CB-CE 4.31Å; D459-M494 HydrophobicContact CB-SD 3.91Å; D459-M494 VanDerWaalsContact N-CE 3.28Å; F462-M494 HydrophobicContact CD2-CG 4.19Å; F462-M494 HydrophobicContact CE2-CE 4.24Å; F462-M494 HydrophobicContact CE2-CG 4.16Å; M485-M494 HydrophobicContact CE-CE 3.84Å; M485-M494 HydrophobicContact CE-CG 4.05Å; M485-M494 HydrophobicContact CG-CE 3.97Å; M485-M494 HydrophobicContact SD-CE 3.59Å; M485-M494 VanDerWaalsContact SD-CE 3.59Å; M485-M494 HydrophobicContact SD-CG 4.31Å; S487-M494 WeakPolarHBondContact OG-CE 3.36Å; F490-M494 HydrophobicContact CD2-CB 4.09Å; F490-M494 HydrophobicContact CD2-CG 3.84Å; F490-M494 HydrophobicContact CD2-SD 3.73Å; F490-M494 HydrophobicContact CE2-CB 4.22Å; F490-M494 HydrophobicContact CE2-CG 3.9Å; F490-M494 HydrophobicContact CE2-SD 4.32Å; P491-M494 HydrophobicContact CG-CB 3.92Å; P491-M494 WeakPolarHBondContact O-CB 3.24Å; P491-M494 PolarHBondContact O-N 2.87Å; M494-I496 VanDerWaalsContact C-N 3.27Å; M494-I496 PolarHBondContact O-N 3.23Å; M494-L497 PolarHBondContact O-N 3.28Å; M494-A498 VanDerWaalsContact O-CB 3.27Å; M494-A498 WeakPolarHBondContact O-CB 3.08Å; M494-A498 PolarHBondContact O-N 2.83Å
495	E	84.9	Confident	87	Confident	49 Å²	49	50.3 Å²	50.3	23%	0.229	24%	0.236	C	C	.	.	H	α-helix	trans	-62.2	-29.6	169.5	-78.6	178.5	-178.7	0	0	113.4	F490 P491 R492 Q493 R499 R513	F490-E495 HydrophobicContact CD1-CG 3.78Å; F490-E495 HydrophobicContact CD2-CG 4.49Å; F490-E495 HydrophobicContact CE1-CB 4.5Å; F490-E495 HydrophobicContact CE1-CG 3.3Å; F490-E495 HydrophobicContact CE2-CG 4.05Å; F490-E495 HydrophobicContact CG-CG 4.34Å; F490-E495 HydrophobicContact CZ-CB 4.2Å; F490-E495 HydrophobicContact CZ-CG 3.41Å; F490-E495 VanDerWaalsContact CZ-CG 3.41Å; P491-E495 PolarHBondContact O-N 2.95Å; R492-E495 WeakPolarHBondContact O-CB 3.3Å; R492-E495 PolarHBondContact O-N 3.41Å; Q493-E495 VanDerWaalsContact C-N 3.35Å; E495-R499 WeakPolarHBondContact O-CG 3.48Å; E495-R513 IonicContact OE1-CZ 2.66Å; E495-R513 VanDerWaalsContact OE1-CZ 3.22Å; E495-R513 IonicContact OE1-NH1 3.83Å; E495-R513 PolarHBondContact OE1-NH1 2.86Å; E495-R513 IonicContact OE1-NH2 2.68Å; E495-R513 PolarHBondContact OE1-NH2 2.81Å
496	I	85.6	Confident	87	Confident	89 Å²	89	50.2 Å²	50.2	46%	0.456	24%	0.235	S	C	.	.	H	α-helix	trans	-75.5	-47.2	175.3	-69.2	163.3	0	0	0	110.2	R492 Q493 M494 A498 R499	R492-I496 WeakPolarHBondContact O-CG1 3.21Å; R492-I496 PolarHBondContact O-N 3.1Å; R492-I496 VanDerWaalsContact O-N 3.1Å; Q493-I496 WeakPolarHBondContact O-CB 3.4Å; Q493-I496 PolarHBondContact O-N 2.87Å; Q493-I496 VanDerWaalsContact O-N 3.12Å; M494-I496 VanDerWaalsContact C-N 3.27Å; M494-I496 PolarHBondContact O-N 3.23Å; I496-A498 PolarHBondContact O-N 3.07Å; I496-R499 WeakPolarHBondContact O-CB 3.29Å; I496-R499 PolarHBondContact O-N 2.85Å
497	L	82.9	Confident	87.1	Confident	4 Å²	4	51.4 Å²	51.4	2%	0.021	24%	0.241	C	C	.	.	H	α-helix	trans	-64.8	-39.3	179	-170.8	70.6	0	0	0	112.3	F462 E467 M471 Q493 M494 R499 K500 V501	F462-L497 HydrophobicContact CD1-CD2 3.74Å; F462-L497 HydrophobicContact CD2-CD2 4.06Å; F462-L497 HydrophobicContact CE1-CD2 3.2Å; F462-L497 HydrophobicContact CE2-CD2 3.53Å; F462-L497 HydrophobicContact CG-CD2 4.18Å; F462-L497 HydrophobicContact CZ-CD2 3.11Å; E467-L497 HydrophobicContact CG-CD1 3.95Å; E467-L497 HydrophobicContact CG-CD2 4.17Å; M471-L497 HydrophobicContact CG-CD1 4.1Å; M471-L497 HydrophobicContact SD-CD1 3.53Å; M471-L497 VanDerWaalsContact SD-CD1 3.53Å; Q493-L497 PolarHBondContact O-N 2.69Å; M494-L497 PolarHBondContact O-N 3.28Å; L497-R499 PolarHBondContact O-N 2.71Å; L497-R499 VanDerWaalsContact O-N 3.12Å; L497-K500 HydrophobicContact CD1-CD 4.13Å; L497-K500 WeakPolarHBondContact O-CA 2.93Å; L497-K500 WeakPolarHBondContact O-CB 3.46Å; L497-K500 PolarHBondContact O-N 3.1Å; L497-V501 HydrophobicContact CD1-CG2 4.28Å; L497-V501 HydrophobicContact CG-CG2 4.13Å; L497-V501 PolarHBondContact O-N 3.32Å
498	A	88.3	Confident	87.2	Confident	3 Å²	3	51.4 Å²	51.4	3%	0.025	24%	0.241	C	C	.	.	H	α-helix	trans	-52	-36.3	174.6	0	0	0	0	0	112.6	I340 M485 F490 M494 I496 L502	I340-A498 HydrophobicContact CD1-CB 3.86Å; M485-A498 HydrophobicContact CE-CB 3.73Å; F490-A498 HydrophobicContact CZ-CB 4.4Å; M494-A498 VanDerWaalsContact O-CB 3.27Å; M494-A498 WeakPolarHBondContact O-CB 3.08Å; M494-A498 PolarHBondContact O-N 2.83Å; I496-A498 PolarHBondContact O-N 3.07Å; A498-L502 HydrophobicContact CB-CD1 4.21Å; A498-L502 VanDerWaalsContact O-CB 3.25Å; A498-L502 WeakPolarHBondContact O-CB 3.31Å; A498-L502 WeakPolarHBondContact O-CG 3.27Å; A498-L502 PolarHBondContact O-N 2.96Å
499	R	85.9	Confident	87.6	Confident	207 Å²	207	51.6 Å²	51.6	78%	0.781	24%	0.24	S	C	*	.	H	α-helix	trans	-77	-19	178.1	-63.6	169.5	-173.5	-138.1	2.8	114.1	E495 I496 L497	E495-R499 WeakPolarHBondContact O-CG 3.48Å; I496-R499 WeakPolarHBondContact O-CB 3.29Å; I496-R499 PolarHBondContact O-N 2.85Å; L497-R499 PolarHBondContact O-N 2.71Å; L497-R499 VanDerWaalsContact O-N 3.12Å
500	K	87.5	Confident	88	Confident	124 Å²	124	52 Å²	52	54%	0.539	24%	0.242	S	C	.	.	H	α-helix	trans	-82.6	-36	171.2	-58.4	-176.6	-168.6	164.9	0	111.5	E467 M471 L497	E467-K500 IonicContact OE1-NZ 3.19Å; E467-K500 PolarHBondContact OE1-NZ 3.49Å; M471-K500 HydrophobicContact CE-CB 4.42Å; M471-K500 HydrophobicContact CE-CD 4.27Å; L497-K500 HydrophobicContact CD1-CD 4.13Å; L497-K500 WeakPolarHBondContact O-CA 2.93Å; L497-K500 WeakPolarHBondContact O-CB 3.46Å; L497-K500 PolarHBondContact O-N 3.1Å
501	V	90.2	Very high	87.7	Confident	4 Å²	4	53.1 Å²	53.1	2%	0.024	26%	0.256	C	S	.	.	H	α-helix	trans	-93.5	-34.4	-167.7	168	0	0	0	0	113.7	L455 M471 I474 T483 L497	L455-V501 HydrophobicContact CD1-CG1 4.28Å; M471-V501 HydrophobicContact SD-CG2 3.77Å; I474-V501 HydrophobicContact CD1-CG1 3.76Å; I474-V501 HydrophobicContact CD1-CG2 3.97Å; I474-V501 HydrophobicContact CG2-CG1 4.34Å; T483-V501 HydrophobicContact CG2-CG1 3.86Å; L497-V501 HydrophobicContact CD1-CG2 4.28Å; L497-V501 HydrophobicContact CG-CG2 4.13Å; L497-V501 PolarHBondContact O-N 3.32Å
502	L	92.6	Very high	87.4	Confident	11 Å²	11	53.8 Å²	53.8	6%	0.058	27%	0.265	C	S	.	.			trans	-111.1	139.9	-168.7	-51.4	175.4	0	0	0	112.7	D338 I340 T483 M485 A498 P505	D338-L502 HydrophobicContact CB-CB 4.33Å; D338-L502 WeakPolarHBondContact OD2-CA 3.47Å; I340-L502 HydrophobicContact CD1-CD1 3.95Å; I340-L502 HydrophobicContact CG1-CD1 3.37Å; T483-L502 HydrophobicContact CG2-CD2 3.46Å; T483-L502 VanDerWaalsContact CG2-CD2 3.46Å; M485-L502 HydrophobicContact CB-CD1 4.3Å; A498-L502 HydrophobicContact CB-CD1 4.21Å; A498-L502 VanDerWaalsContact O-CB 3.25Å; A498-L502 WeakPolarHBondContact O-CB 3.31Å; A498-L502 WeakPolarHBondContact O-CG 3.27Å; A498-L502 PolarHBondContact O-N 2.96Å; L502-P505 HydrophobicContact CB-CB 3.99Å; L502-P505 HydrophobicContact CB-CG 3.81Å; L502-P505 HydrophobicContact CD1-CB 3.99Å; L502-P505 HydrophobicContact CD1-CG 4.09Å
503	T	92.3	Very high	87	Confident	96 Å²	96	48.6 Å²	48.6	59%	0.589	25%	0.245	S	C	*	.	S	Bend	trans	-99.9	111.1	179.3	-59.8	0	0	0	0	111.5	D338	D338-T503 PolarHBondContact OD2-N 3.36Å
504	L	92	Very high	86.7	Confident	137 Å²	137	45.5 Å²	45.5	72%	0.717	23%	0.232	S	C	*	.	S	Bend	trans	45.9	50.5	179.9	-62.7	174.1	0	0	0	114.3	R337	R337-L504 PolarHBondContact NH2-O 3.43Å
505	P	94.4	Very high	86.4	Confident	35 Å²	35	47.1 Å²	47.1	23%	0.227	24%	0.242	C	C	.	.			trans	-68.1	160.2	-172.2	30.2	-38	0	0	0	113.6	D338 I340 L502	D338-P505 HydrophobicContact CB-CB 4.02Å; D338-P505 CarbonylContact O-C 3.6Å; D338-P505 VanDerWaalsContact O-CA 3.27Å; D338-P505 WeakPolarHBondContact O-CA 3.41Å; I340-P505 HydrophobicContact CD1-CB 4.45Å; I340-P505 HydrophobicContact CD1-CG 4.12Å; I340-P505 HydrophobicContact CG1-CB 4.25Å; I340-P505 HydrophobicContact CG1-CG 4.43Å; L502-P505 HydrophobicContact CB-CB 3.99Å; L502-P505 HydrophobicContact CB-CG 3.81Å; L502-P505 HydrophobicContact CD1-CB 3.99Å; L502-P505 HydrophobicContact CD1-CG 4.09Å
506	I	95	Very high	86.3	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	120.7	167	-68.4	166.5	0	0	0	108.8	V289 R290 C294 V332 R337 D338 M339 I340 I508	V289-I506 HydrophobicContact CG1-CG2 4.12Å; R290-I506 WeakPolarHBondContact O-CA 3.3Å; C294-I506 HydrophobicContact CB-CD1 3.99Å; C294-I506 HydrophobicContact CB-CG1 4.47Å; C294-I506 HydrophobicContact CB-CG2 4.06Å; V332-I506 HydrophobicContact CG1-CB 4.07Å; V332-I506 HydrophobicContact CG1-CD1 3.97Å; V332-I506 HydrophobicContact CG1-CG2 4.35Å; V332-I506 HydrophobicContact CG2-CD1 4.14Å; V332-I506 HydrophobicContact CG2-CG2 4.2Å; R337-I506 HydrophobicContact CB-CD1 4.23Å; R337-I506 HydrophobicContact CG-CD1 4.32Å; D338-I506 PolarHBondContact O-N 3.12Å; M339-I506 WeakPolarHBondContact CA-O 3.23Å; M339-I506 WeakPolarHBondContact CG-O 3.41Å; I340-I506 PolarHBondContact N-O 3.1Å; I506-I508 HydrophobicContact CG2-CG1 4.07Å
507	E	94.2	Very high	85.9	Confident	25 Å²	25	41.7 Å²	41.7	12%	0.117	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	113.5	172.8	178.8	-169.3	174.3	0	0	108.4	V289 R290 I340 I342 R513	V289-E507 CarbonylContact C-O 3.49Å; V289-E507 WeakPolarHBondContact CA-O 3.48Å; R290-E507 HydrophobicContact CB-CB 4.22Å; R290-E507 WeakPolarHBondContact CD-OE2 3.37Å; R290-E507 IonicContact CZ-OE1 3.99Å; R290-E507 IonicContact CZ-OE2 3.73Å; R290-E507 PolarHBondContact N-O 3.46Å; R290-E507 IonicContact NE-OE2 3.79Å; R290-E507 IonicContact NH1-OE1 3.03Å; R290-E507 PolarHBondContact NH1-OE1 3.5Å; R290-E507 IonicContact NH1-OE2 2.85Å; R290-E507 PolarHBondContact NH1-OE2 3.04Å; R290-E507 PolarHBondContact O-N 3.18Å; I340-E507 HydrophobicContact CB-CB 4.42Å; I340-E507 WeakPolarHBondContact O-CA 3.1Å; I342-E507 HydrophobicContact CD1-CG 3.97Å; E507-R513 IonicContact OE1-NH2 3.1Å
508	I	93.8	Very high	85.8	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	124.1	171.2	-53.6	173.2	0	0	0	107.2	I287 I325 Q328 A329 V332 M339 I340 I342 I506 I510	I287-I508 HydrophobicContact CG2-CG2 3.78Å; I325-I508 HydrophobicContact CD1-CG2 4.03Å; Q328-I508 HydrophobicContact CB-CD1 4.36Å; Q328-I508 HydrophobicContact CB-CG2 4.27Å; Q328-I508 HydrophobicContact CG-CD1 3.89Å; Q328-I508 HydrophobicContact CG-CG1 4.19Å; Q328-I508 HydrophobicContact CG-CG2 4.02Å; A329-I508 HydrophobicContact CB-CD1 4.24Å; V332-I508 HydrophobicContact CB-CD1 4.47Å; V332-I508 HydrophobicContact CG2-CD1 4.19Å; M339-I508 HydrophobicContact CE-CD1 3.68Å; M339-I508 HydrophobicContact CG-CD1 4.03Å; M339-I508 HydrophobicContact CG-CG1 4.32Å; M339-I508 HydrophobicContact SD-CD1 3.69Å; M339-I508 HydrophobicContact SD-CG1 4.46Å; I340-I508 PolarHBondContact O-N 3.22Å; I342-I508 PolarHBondContact N-O 2.96Å; I506-I508 HydrophobicContact CG2-CG1 4.07Å; I508-I510 HydrophobicContact CG2-CD1 4.5Å; I508-I510 HydrophobicContact CG2-CG1 4.27Å
509	Q	91.6	Very high	85.6	Confident	13 Å²	13	48 Å²	48	6%	0.061	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	130.2	176.6	-174.2	-174.9	26.9	0	0	110.5	I287 R288 I342 G512 R513	I287-Q509 CarbonylContact C-O 3.57Å; I287-Q509 WeakPolarHBondContact CA-O 3.44Å; R288-Q509 HydrophobicContact CB-CB 4.4Å; R288-Q509 PolarHBondContact N-O 3.32Å; R288-Q509 VanDerWaalsContact NE-OE1 3.14Å; R288-Q509 VanDerWaalsContact NH2-NE2 3.19Å; R288-Q509 PolarHBondContact O-N 2.74Å; I342-Q509 HydrophobicContact CB-CB 4.34Å; I342-Q509 HydrophobicContact CB-CG 4.17Å; I342-Q509 HydrophobicContact CD1-CB 4.38Å; I342-Q509 HydrophobicContact CD1-CG 4.45Å; I342-Q509 HydrophobicContact CG2-CG 4.24Å; I342-Q509 WeakPolarHBondContact O-CA 3.38Å; Q509-G512 PolarHBondContact NE2-O 3.32Å; Q509-R513 VanDerWaalsContact NE2-CA 3.35Å; Q509-R513 VanDerWaalsContact NE2-CB 3.33Å
510	I	88.2	Confident	85.7	Confident	10 Å²	10	38.1 Å²	38.1	5%	0.051	22%	0.219	C	C	.	.			trans	-120	135.6	-179.3	-56.7	-165.8	0	0	0	109.9	E285 I287 P324 I325 I342 A343 I508	E285-I510 HydrophobicContact CB-CG2 3.55Å; I287-I510 HydrophobicContact CB-CG1 4.43Å; I287-I510 HydrophobicContact CD1-CD1 3.94Å; I287-I510 HydrophobicContact CG1-CD1 3.95Å; I287-I510 HydrophobicContact CG1-CG1 4.05Å; I287-I510 HydrophobicContact CG2-CD1 4.48Å; I287-I510 HydrophobicContact CG2-CG1 4.15Å; P324-I510 VanDerWaalsContact C-CD1 3.45Å; P324-I510 HydrophobicContact CB-CD1 4.09Å; P324-I510 HydrophobicContact CB-CG2 4.4Å; P324-I510 WeakPolarHBondContact O-CD1 3.45Å; I325-I510 HydrophobicContact CB-CD1 3.84Å; I325-I510 HydrophobicContact CD1-CD1 3.85Å; I325-I510 HydrophobicContact CD1-CG1 4.37Å; I325-I510 HydrophobicContact CG1-CD1 4.45Å; I342-I510 PolarHBondContact O-N 3.45Å; A343-I510 HydrophobicContact CB-CB 4.35Å; I508-I510 HydrophobicContact CG2-CD1 4.5Å; I508-I510 HydrophobicContact CG2-CG1 4.27Å
511	G	79.6	Confident	86	Confident	31 Å²	31	36.6 Å²	36.6	32%	0.32	21%	0.214	S	C	.	.	S	Bend	trans	67.7	-136.4	-168.5	0	0	0	0	0	112.3	E285 R288	E285-G511 PolarHBondContact O-N 2.85Å; R288-G511 PolarHBondContact NH1-O 2.9Å; R288-G511 PolarHBondContact NH2-O 2.74Å
512	G	72	Confident	86.1	Confident	28 Å²	28	36.7 Å²	36.7	29%	0.289	21%	0.214	S	C	.	.	S	Bend	trans	-92.8	-159.9	173.1	0	0	0	0	0	113.5	Q509	Q509-G512 PolarHBondContact NE2-O 3.32Å
513	R	72	Confident	86.2	Confident	79 Å²	79	38.1 Å²	38.1	30%	0.298	22%	0.221	S	C	.	.	S	Bend	trans	-104.8	122.4	167.1	-166.5	177.7	-85.3	-160.9	3	106.9	F490 E495 E507 Q509 Q667	F490-R513 HydrophobicContact CB-CG 4.44Å; F490-R513 WeakPolarHBondContact O-CD 3.34Å; F490-R513 PolarHBondContact O-NH1 3.31Å; E495-R513 IonicContact OE1-CZ 2.66Å; E495-R513 VanDerWaalsContact OE1-CZ 3.22Å; E495-R513 IonicContact OE1-NH1 3.83Å; E495-R513 PolarHBondContact OE1-NH1 2.86Å; E495-R513 IonicContact OE1-NH2 2.68Å; E495-R513 PolarHBondContact OE1-NH2 2.81Å; E507-R513 IonicContact OE1-NH2 3.1Å; Q509-R513 VanDerWaalsContact NE2-CA 3.35Å; Q509-R513 VanDerWaalsContact NE2-CB 3.33Å; R513-Q667 PolarHBondContact O-OE1 3.33Å
514	S	73.5	Confident	86.3	Confident	8 Å²	8	33.8 Å²	33.8	6%	0.056	19%	0.194	C	C	.	.	S	Bend	trans	58.8	47.1	179.7	-47.3	0	0	0	0	114.5	T489 Y627 V631	T489-S514 WeakPolarHBondContact CA-OG 3.36Å; T489-S514 VanDerWaalsContact CB-OG 3.26Å; T489-S514 WeakPolarHBondContact CB-OG 3.39Å; T489-S514 WeakPolarHBondContact CG2-OG 3.36Å; S514-Y627 WeakPolarHBondContact O-CE1 3.29Å; S514-Y627 PolarHBondContact O-OH 2.96Å; S514-V631 VanDerWaalsContact O-CG2 3.29Å; S514-V631 WeakPolarHBondContact O-CG2 3.24Å
515	V	78.8	Confident	86.4	Confident	37 Å²	37	30.1 Å²	30.1	22%	0.224	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-101.9	137.3	-177.6	-174.2	0	0	0	0	111.7	Q667	V515-Q667 HydrophobicContact CG1-CB 4.14Å; V515-Q667 WeakPolarHBondContact CG1-O 3.48Å; V515-Q667 HydrophobicContact CG2-CB 4.12Å
516	V	81.3	Confident	86.4	Confident	5 Å²	5	30.8 Å²	30.8	3%	0.03	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-70.3	142.4	171.6	-177.6	0	0	0	0	110.1	V520 Y630 V631 C634 A664	V516-V520 HydrophobicContact CG1-CB 4.05Å; V516-V520 HydrophobicContact CG1-CG1 4.33Å; V516-V520 HydrophobicContact CG1-CG2 4.5Å; V516-Y630 HydrophobicContact CG2-CD1 4.24Å; V516-Y630 HydrophobicContact CG2-CE1 3.96Å; V516-V631 HydrophobicContact CG2-CB 4.45Å; V516-V631 HydrophobicContact CG2-CG1 4.48Å; V516-V631 HydrophobicContact CG2-CG2 4.02Å; V516-C634 HydrophobicContact CG1-CB 3.97Å; V516-C634 HydrophobicContact CG2-CB 4.36Å; V516-A664 HydrophobicContact CG2-CB 4.3Å
517	C	77.5	Confident	86.3	Confident	19 Å²	19	31.9 Å²	31.9	13%	0.128	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-62.5	142.6	-179	-150.9	0	0	0	0	111.7	K344 D519 V520	K344-C517 HydrophobicContact CD-CB 4.42Å; K344-C517 PolarHBondContact NZ-SG 3.38Å; C517-D519 PolarHBondContact O-N 3.43Å; C517-D519 VanDerWaalsContact O-N 3.13Å; C517-D519 PolarHBondContact SG-OD2 3.48Å; C517-V520 HydrophobicContact CB-CG2 4.37Å; C517-V520 PolarHBondContact O-N 3.09Å; C517-V520 VanDerWaalsContact O-N 3.11Å
518	S	80.5	Confident	86.3	Confident	82 Å²	82	32.9 Å²	32.9	57%	0.573	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-26.3	174.9	44.9	0	0	0	0	113.6	V520	S518-V520 PolarHBondContact O-N 3.38Å
519	D	84.5	Confident	86.1	Confident	56 Å²	56	37.6 Å²	37.6	30%	0.299	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-5	-175.2	-37.9	-41.2	0	0	0	112	C517 K643 G644	C517-D519 PolarHBondContact O-N 3.43Å; C517-D519 VanDerWaalsContact O-N 3.13Å; C517-D519 PolarHBondContact SG-OD2 3.48Å; D519-K643 CarbonylContact O-C 3.52Å; D519-K643 WeakPolarHBondContact O-CA 3.5Å; D519-G644 PolarHBondContact O-N 3.35Å
520	V	88.7	Confident	86	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	110.1	173.9	-176.8	0	0	0	0	109.3	V516 C517 S518 Q522 T637 G644 A646 Q670	V516-V520 HydrophobicContact CG1-CB 4.05Å; V516-V520 HydrophobicContact CG1-CG1 4.33Å; V516-V520 HydrophobicContact CG1-CG2 4.5Å; C517-V520 HydrophobicContact CB-CG2 4.37Å; C517-V520 PolarHBondContact O-N 3.09Å; C517-V520 VanDerWaalsContact O-N 3.11Å; S518-V520 PolarHBondContact O-N 3.38Å; V520-Q522 HydrophobicContact CG1-CG 4.39Å; V520-T637 HydrophobicContact CG1-CG2 3.94Å; V520-T637 HydrophobicContact CG2-CG2 4.11Å; V520-G644 CarbonylContact C-O 3.51Å; V520-G644 WeakPolarHBondContact CA-O 3.5Å; V520-A646 HydrophobicContact CG1-CB 3.48Å; V520-A646 VanDerWaalsContact CG1-CB 3.48Å; V520-Q670 PolarHBondContact O-NE2 3.4Å
521	E	92.6	Very high	86.3	Confident	92 Å²	92	48.4 Å²	48.4	43%	0.43	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	124.2	170.2	-164.7	169.4	159.6	0	0	109.2	H523 G644 F645 A646	E521-H523 IonicContact OE1-CE1 3.91Å; E521-H523 PolarHBondContact OE1-CE1 3.08Å; E521-H523 IonicContact OE1-NE2 3.22Å; E521-G644 PolarHBondContact N-O 3.4Å; E521-F645 HydrophobicContact CB-CD1 3.95Å; E521-F645 HydrophobicContact CB-CE1 4.2Å; E521-F645 CarbonylContact O-C 3.6Å; E521-F645 WeakPolarHBondContact O-CA 3.39Å; E521-A646 PolarHBondContact O-N 3.48Å
522	Q	93.9	Very high	87	Confident	7 Å²	7	47 Å²	47	3%	0.033	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	138.2	-176.6	-66.2	164	101.4	0	0	111.1	V520 Y630 A646 F665 S668	V520-Q522 HydrophobicContact CG1-CG 4.39Å; Q522-Y630 VanDerWaalsContact OE1-CE1 3.24Å; Q522-Y630 PolarHBondContact OE1-OH 3.41Å; Q522-A646 WeakPolarHBondContact CA-O 3.48Å; Q522-A646 HydrophobicContact CG-CB 4.23Å; Q522-F665 HydrophobicContact CB-CD1 4.45Å; Q522-F665 HydrophobicContact CB-CD2 4.47Å; Q522-F665 HydrophobicContact CB-CE1 3.83Å; Q522-F665 HydrophobicContact CB-CE2 3.84Å; Q522-F665 HydrophobicContact CB-CZ 3.49Å; Q522-F665 VanDerWaalsContact CB-CZ 3.49Å; Q522-F665 WeakPolarHBondContact O-CE1 3.21Å; Q522-F665 WeakPolarHBondContact O-CZ 3Å; Q522-S668 PolarHBondContact NE2-OG 3.08Å
523	H	94.4	Very high	88	Confident	41 Å²	41	46.9 Å²	46.9	19%	0.19	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	142.3	171.3	-48.6	-83.9	0	0	0	108.9	E521 F525 F645 A646 Y647 T648	E521-H523 IonicContact OE1-CE1 3.91Å; E521-H523 PolarHBondContact OE1-CE1 3.08Å; E521-H523 IonicContact OE1-NE2 3.22Å; H523-F525 HydrophobicContact CB-CE2 3.82Å; H523-F645 AromaticContact NE2-CD1 3.97Å; H523-A646 PolarHBondContact N-O 2.65Å; H523-Y647 HydrophobicContact CB-CD1 3.75Å; H523-Y647 HydrophobicContact CB-CE1 3.8Å; H523-Y647 HydrophobicContact CB-CG 4.18Å; H523-Y647 AromaticContact CD2-CD2 3.78Å; H523-Y647 AromaticContact CD2-CE1 3.75Å; H523-Y647 AromaticContact CD2-CE2 3.36Å; H523-Y647 WeakPolarHBondContact CD2-CE2 3.38Å; H523-Y647 AromaticContact CD2-CZ 3.33Å; H523-Y647 AromaticContact CG-CE1 3.8Å; H523-Y647 AromaticContact CG-CZ 3.84Å; H523-Y647 AromaticContact NE2-CE2 3.97Å; H523-Y647 AromaticContact NE2-CZ 3.87Å; H523-Y647 CarbonylContact O-C 3.6Å; H523-Y647 WeakPolarHBondContact O-CA 3.34Å; H523-T648 PolarHBondContact O-N 3.31Å
524	A	94.4	Very high	89	Confident	4 Å²	4	49.9 Å²	49.9	3%	0.033	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	130.2	177.9	0	0	0	0	0	109.6	T648 L650 V661 F665 P673 L676	A524-T648 VanDerWaalsContact CA-O 3.3Å; A524-T648 WeakPolarHBondContact CA-O 3.48Å; A524-L650 HydrophobicContact CB-CD1 4.25Å; A524-V661 HydrophobicContact CB-CG1 4.16Å; A524-F665 HydrophobicContact CB-CE2 4.05Å; A524-F665 HydrophobicContact CB-CZ 4.12Å; A524-P673 HydrophobicContact CB-CG 4.22Å; A524-L676 HydrophobicContact CB-CD1 4.46Å; A524-L676 HydrophobicContact CB-CD2 3.92Å
525	F	94.5	Very high	90	Very high	61 Å²	61	51.1 Å²	51.1	27%	0.268	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	142.8	-178.2	-66.4	-88.1	0	0	0	109.8	H523 L527 Y647 T648 F649 L650	H523-F525 HydrophobicContact CB-CE2 3.82Å; F525-L527 HydrophobicContact CB-CD1 4.14Å; F525-L527 HydrophobicContact CB-CD2 4.28Å; F525-L527 HydrophobicContact CB-CG 3.96Å; F525-Y647 HydrophobicContact CD2-CD1 4.26Å; F525-Y647 AromaticContact CE2-CD1 3.67Å; F525-Y647 HydrophobicContact CE2-CD1 3.67Å; F525-Y647 AromaticContact CE2-CE1 3.8Å; F525-Y647 HydrophobicContact CE2-CE1 3.8Å; F525-Y647 HydrophobicContact CZ-CE1 4.45Å; F525-T648 PolarHBondContact N-O 3.03Å; F525-F649 HydrophobicContact CB-CD1 4.41Å; F525-L650 PolarHBondContact O-N 3.39Å
526	I	93.6	Very high	90.8	Very high	49 Å²	49	49.3 Å²	49.3	25%	0.251	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	117.7	170.7	-64.7	163.1	0	0	0	107	L650 P652 E675 M679	I526-L650 CarbonylContact C-O 3.55Å; I526-L650 VanDerWaalsContact CA-O 3.29Å; I526-L650 WeakPolarHBondContact CA-O 3.45Å; I526-P652 HydrophobicContact CG2-CG 4.26Å; I526-E675 HydrophobicContact CD1-CB 4.1Å; I526-M679 HydrophobicContact CB-CE 4.49Å; I526-M679 HydrophobicContact CD1-CB 3.84Å; I526-M679 HydrophobicContact CD1-CE 3.7Å; I526-M679 HydrophobicContact CD1-CG 4.4Å; I526-M679 HydrophobicContact CD1-SD 3.82Å; I526-M679 HydrophobicContact CG1-CE 3.83Å; I526-M679 HydrophobicContact CG1-SD 4.12Å; I526-M679 HydrophobicContact CG2-CE 3.81Å
527	L	93.7	Very high	91.4	Very high	22 Å²	22	50.4 Å²	50.4	12%	0.115	25%	0.252	C	S	.	.			trans	-139.3	147.6	-171.2	-59.6	175.5	0	0	0	110.3	F525 E531 K532 K535 F649 L650 T651	F525-L527 HydrophobicContact CB-CD1 4.14Å; F525-L527 HydrophobicContact CB-CD2 4.28Å; F525-L527 HydrophobicContact CB-CG 3.96Å; L527-E531 HydrophobicContact CB-CB 4.04Å; L527-E531 HydrophobicContact CD2-CB 4.18Å; L527-K532 HydrophobicContact CB-CG 4.49Å; L527-K535 HydrophobicContact CD1-CB 3.71Å; L527-K535 HydrophobicContact CD1-CG 3.89Å; L527-F649 HydrophobicContact CD1-CB 4.19Å; L527-F649 HydrophobicContact CD1-CD1 3.62Å; L527-F649 HydrophobicContact CD1-CD2 4.31Å; L527-F649 HydrophobicContact CD1-CE1 4.07Å; L527-F649 HydrophobicContact CD1-CG 3.78Å; L527-L650 PolarHBondContact N-O 2.74Å; L527-T651 WeakPolarHBondContact O-CA 3.2Å
528	S	93	Very high	92.1	Very high	47 Å²	47	54.2 Å²	54.2	33%	0.329	27%	0.268	S	S	.	.			trans	-70.7	163.9	162.2	65.9	0	0	0	0	111.7	E530 E531 K532	S528-E530 PolarHBondContact O-N 2.96Å; S528-E531 VanDerWaalsContact CB-OE2 3.24Å; S528-E531 WeakPolarHBondContact CB-OE2 3.31Å; S528-E531 PolarHBondContact N-OE2 2.57Å; S528-E531 PolarHBondContact O-N 3.01Å; S528-E531 VanDerWaalsContact O-N 3.13Å; S528-E531 VanDerWaalsContact OG-CD 3.26Å; S528-E531 VanDerWaalsContact OG-CG 3.3Å; S528-E531 WeakPolarHBondContact OG-CG 3.39Å; S528-E531 PolarHBondContact OG-N 3.22Å; S528-E531 PolarHBondContact OG-OE2 3.33Å; S528-K532 PolarHBondContact O-N 2.87Å
529	E	90	Very high	92.7	Very high	99 Å²	99	50.4 Å²	50.4	46%	0.463	24%	0.241	S	C	.	.	H	α-helix	trans	-57.8	-33.7	179.2	-71.7	-64.2	159.1	0	0	113.3	K532 T651	E529-K532 WeakPolarHBondContact OE1-CE 3.4Å; E529-K532 IonicContact OE1-NZ 2.66Å; E529-K532 PolarHBondContact OE1-NZ 3.43Å; E529-K532 WeakPolarHBondContact OE2-CD 3.4Å; E529-K532 VanDerWaalsContact OE2-CE 3.3Å; E529-K532 WeakPolarHBondContact OE2-CE 3.34Å; E529-K532 IonicContact OE2-NZ 3.42Å; E529-K532 PolarHBondContact OE2-NZ 2.61Å; E529-T651 HydrophobicContact CG-CG2 4.39Å; E529-T651 WeakPolarHBondContact OE1-CG2 3.24Å
530	E	90	Very high	93.1	Very high	150 Å²	150	47.8 Å²	47.8	70%	0.701	23%	0.227	S	C	*	.	H	α-helix	trans	-72.9	-40.7	176.3	-62	-176.3	-164	0	0	111.4	S528 K532 V533 Y534	S528-E530 PolarHBondContact O-N 2.96Å; E530-K532 VanDerWaalsContact C-N 3.33Å; E530-K532 PolarHBondContact O-N 3.2Å; E530-V533 PolarHBondContact O-N 3.45Å; E530-Y534 WeakPolarHBondContact O-CD2 3.49Å
531	E	93.3	Very high	93.2	Very high	100 Å²	100	50.2 Å²	50.2	47%	0.467	25%	0.252	S	S	.	.	H	α-helix	trans	-66.9	-30.3	178.6	-71.3	166.4	129.5	0	0	113.1	L527 S528 V533 Y534 K535	L527-E531 HydrophobicContact CB-CB 4.04Å; L527-E531 HydrophobicContact CD2-CB 4.18Å; S528-E531 VanDerWaalsContact CB-OE2 3.24Å; S528-E531 WeakPolarHBondContact CB-OE2 3.31Å; S528-E531 PolarHBondContact N-OE2 2.57Å; S528-E531 PolarHBondContact O-N 3.01Å; S528-E531 VanDerWaalsContact O-N 3.13Å; S528-E531 VanDerWaalsContact OG-CD 3.26Å; S528-E531 VanDerWaalsContact OG-CG 3.3Å; S528-E531 WeakPolarHBondContact OG-CG 3.39Å; S528-E531 PolarHBondContact OG-N 3.22Å; S528-E531 PolarHBondContact OG-OE2 3.33Å; E531-V533 VanDerWaalsContact C-N 3.27Å; E531-V533 PolarHBondContact O-N 3.03Å; E531-Y534 PolarHBondContact O-N 3.36Å; E531-K535 WeakPolarHBondContact O-CB 3.36Å; E531-K535 PolarHBondContact O-N 3.09Å
532	K	94.4	Very high	92.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-51.6	-45.7	173.4	-70.6	-176.4	-177	166.6	0	111.6	L527 S528 E529 E530 K535 V536 Y621 D622 F649	L527-K532 HydrophobicContact CB-CG 4.49Å; S528-K532 PolarHBondContact O-N 2.87Å; E529-K532 WeakPolarHBondContact OE1-CE 3.4Å; E529-K532 IonicContact OE1-NZ 2.66Å; E529-K532 PolarHBondContact OE1-NZ 3.43Å; E529-K532 WeakPolarHBondContact OE2-CD 3.4Å; E529-K532 VanDerWaalsContact OE2-CE 3.3Å; E529-K532 WeakPolarHBondContact OE2-CE 3.34Å; E529-K532 IonicContact OE2-NZ 3.42Å; E529-K532 PolarHBondContact OE2-NZ 2.61Å; E530-K532 VanDerWaalsContact C-N 3.33Å; E530-K532 PolarHBondContact O-N 3.2Å; K532-K535 PolarHBondContact O-N 3.04Å; K532-V536 WeakPolarHBondContact O-CG2 3.45Å; K532-V536 PolarHBondContact O-N 2.95Å; K532-Y621 HydrophobicContact CB-CD2 4.23Å; K532-Y621 HydrophobicContact CB-CE1 4.28Å; K532-Y621 HydrophobicContact CB-CE2 3.55Å; K532-Y621 HydrophobicContact CD-CD1 3.88Å; K532-Y621 HydrophobicContact CD-CD2 4.5Å; K532-Y621 HydrophobicContact CD-CE1 3.48Å; K532-Y621 VanDerWaalsContact CD-CE1 3.48Å; K532-Y621 HydrophobicContact CD-CE2 4.19Å; K532-Y621 HydrophobicContact CD-CG 4.36Å; K532-Y621 WeakPolarHBondContact CD-O 3.29Å; K532-Y621 VanDerWaalsContact CE-O 3.23Å; K532-Y621 WeakPolarHBondContact CE-O 3.45Å; K532-D622 IonicContact NZ-OD1 3.75Å; K532-D622 PolarHBondContact NZ-OD1 2.84Å; K532-F649 HydrophobicContact CB-CD2 4.05Å; K532-F649 HydrophobicContact CG-CB 4.17Å; K532-F649 HydrophobicContact CG-CD2 4Å; K532-F649 HydrophobicContact CG-CG 4.44Å
533	V	93.5	Very high	92.8	Very high	26 Å²	26	50.8 Å²	50.8	16%	0.158	26%	0.256	C	S	.	.	H	α-helix	trans	-63.3	-48.2	-177.8	179.8	0	0	0	0	110.9	E530 E531 K535 V536 L537 V565 Y621	E530-V533 PolarHBondContact O-N 3.45Å; E531-V533 VanDerWaalsContact C-N 3.27Å; E531-V533 PolarHBondContact O-N 3.03Å; V533-K535 VanDerWaalsContact C-N 3.29Å; V533-K535 PolarHBondContact O-N 3.27Å; V533-V536 WeakPolarHBondContact O-CB 3.49Å; V533-V536 PolarHBondContact O-N 3.1Å; V533-L537 HydrophobicContact CG1-CD1 4.33Å; V533-L537 WeakPolarHBondContact O-CG 3.38Å; V533-L537 PolarHBondContact O-N 2.74Å; V533-L537 VanDerWaalsContact O-N 3.08Å; V533-V565 HydrophobicContact CG1-CG1 3.69Å; V533-Y621 VanDerWaalsContact CG2-OH 3.27Å; V533-Y621 WeakPolarHBondContact CG2-OH 3.45Å
534	Y	93.7	Very high	92.1	Very high	143 Å²	143	50.3 Å²	50.3	56%	0.561	25%	0.253	S	S	*	.	H	α-helix	trans	-62.9	-36.8	177.7	-59.8	-66	0	0	0	111.7	E530 E531 L537 E538	E530-Y534 WeakPolarHBondContact O-CD2 3.49Å; E531-Y534 PolarHBondContact O-N 3.36Å; Y534-L537 HydrophobicContact CD1-CD1 4.49Å; Y534-L537 PolarHBondContact O-N 2.79Å; Y534-E538 PolarHBondContact O-N 2.93Å
535	K	94.3	Very high	91.5	Very high	33 Å²	33	58.3 Å²	58.3	14%	0.143	29%	0.29	C	S	.	.	H	α-helix	trans	-68	-34	174.6	-158.7	75.9	-160.4	168.3	0	113	L527 E531 K532 V533 E538 L539 F649	L527-K535 HydrophobicContact CD1-CB 3.71Å; L527-K535 HydrophobicContact CD1-CG 3.89Å; E531-K535 WeakPolarHBondContact O-CB 3.36Å; E531-K535 PolarHBondContact O-N 3.09Å; K532-K535 PolarHBondContact O-N 3.04Å; V533-K535 VanDerWaalsContact C-N 3.29Å; V533-K535 PolarHBondContact O-N 3.27Å; K535-E538 WeakPolarHBondContact CE-OE1 3.1Å; K535-E538 WeakPolarHBondContact CE-OE2 3.27Å; K535-E538 IonicContact NZ-OE1 2.82Å; K535-E538 PolarHBondContact NZ-OE1 2.94Å; K535-E538 IonicContact NZ-OE2 2.73Å; K535-E538 PolarHBondContact NZ-OE2 2.94Å; K535-L539 VanDerWaalsContact O-CG 3.25Å; K535-L539 WeakPolarHBondContact O-CG 3.28Å; K535-L539 PolarHBondContact O-N 2.95Å; K535-F649 HydrophobicContact CB-CE1 4.08Å; K535-F649 HydrophobicContact CB-CE2 4.29Å; K535-F649 HydrophobicContact CB-CZ 3.76Å; K535-F649 HydrophobicContact CG-CD1 4.45Å; K535-F649 HydrophobicContact CG-CE1 3.56Å; K535-F649 HydrophobicContact CG-CZ 3.65Å
536	V	94.5	Very high	91	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-60.7	-50.1	169.1	175.8	0	0	0	0	110.3	K532 V533 E538 L539 L540 L566 I619 Y621 F649	K532-V536 WeakPolarHBondContact O-CG2 3.45Å; K532-V536 PolarHBondContact O-N 2.95Å; V533-V536 WeakPolarHBondContact O-CB 3.49Å; V533-V536 PolarHBondContact O-N 3.1Å; V536-E538 VanDerWaalsContact C-N 3.32Å; V536-E538 PolarHBondContact O-N 2.98Å; V536-L539 PolarHBondContact O-N 2.84Å; V536-L539 VanDerWaalsContact O-N 3.11Å; V536-L540 HydrophobicContact CG1-CD1 3.68Å; V536-L540 HydrophobicContact CG1-CG 3.9Å; V536-L540 WeakPolarHBondContact O-CG 3.34Å; V536-L540 PolarHBondContact O-N 3.49Å; V536-L566 HydrophobicContact CG1-CD1 4.01Å; V536-L566 HydrophobicContact CG1-CD2 3.95Å; V536-I619 HydrophobicContact CG1-CD1 4.38Å; V536-Y621 HydrophobicContact CG2-CD2 3.57Å; V536-Y621 HydrophobicContact CG2-CE2 3.84Å; V536-F649 HydrophobicContact CG2-CE2 3.86Å; V536-F649 HydrophobicContact CG2-CZ 4.48Å
537	L	93.4	Very high	90.7	Very high	27 Å²	27	60.2 Å²	60.2	14%	0.141	30%	0.303	C	S	.	.	H	α-helix	trans	-59.6	-41.3	-177.4	-66.3	167	0	0	0	112.3	V533 Y534 L540 G541 L566 Y569 Y571	V533-L537 HydrophobicContact CG1-CD1 4.33Å; V533-L537 WeakPolarHBondContact O-CG 3.38Å; V533-L537 PolarHBondContact O-N 2.74Å; V533-L537 VanDerWaalsContact O-N 3.08Å; Y534-L537 HydrophobicContact CD1-CD1 4.49Å; Y534-L537 PolarHBondContact O-N 2.79Å; L537-L540 PolarHBondContact O-N 3.02Å; L537-G541 PolarHBondContact O-N 2.79Å; L537-G541 VanDerWaalsContact O-N 3.07Å; L537-L566 HydrophobicContact CD2-CD2 3.66Å; L537-L566 HydrophobicContact CG-CD2 4.29Å; L537-Y569 HydrophobicContact CD1-CD1 4.31Å; L537-Y569 HydrophobicContact CD1-CD2 3.8Å; L537-Y569 HydrophobicContact CD1-CE1 4.29Å; L537-Y569 HydrophobicContact CD1-CE2 3.78Å; L537-Y569 HydrophobicContact CD1-CG 4.09Å; L537-Y569 HydrophobicContact CD2-CD2 3.87Å; L537-Y569 HydrophobicContact CD2-CG 3.86Å; L537-Y569 HydrophobicContact CG-CD2 4.44Å; L537-Y571 HydrophobicContact CD2-CD2 3.8Å; L537-Y571 HydrophobicContact CD2-CE2 3.57Å
538	E	93.4	Very high	90.6	Very high	100 Å²	100	59.7 Å²	59.7	47%	0.467	30%	0.301	S	S	.	.	H	α-helix	trans	-57.2	-49	172.6	-173.8	-165.7	132.8	0	0	111.9	Y534 K535 V536 G541 I542	Y534-E538 PolarHBondContact O-N 2.93Å; K535-E538 WeakPolarHBondContact CE-OE1 3.1Å; K535-E538 WeakPolarHBondContact CE-OE2 3.27Å; K535-E538 IonicContact NZ-OE1 2.82Å; K535-E538 PolarHBondContact NZ-OE1 2.94Å; K535-E538 IonicContact NZ-OE2 2.73Å; K535-E538 PolarHBondContact NZ-OE2 2.94Å; V536-E538 VanDerWaalsContact C-N 3.32Å; V536-E538 PolarHBondContact O-N 2.98Å; E538-G541 PolarHBondContact O-N 2.77Å; E538-I542 PolarHBondContact O-N 2.84Å
539	L	93.8	Very high	90.7	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-70.1	-35.2	-178.3	-64.7	172.6	0	0	0	112.7	K535 V536 I542 Y543 L617 I619 Y647 F649	K535-L539 VanDerWaalsContact O-CG 3.25Å; K535-L539 WeakPolarHBondContact O-CG 3.28Å; K535-L539 PolarHBondContact O-N 2.95Å; V536-L539 PolarHBondContact O-N 2.84Å; V536-L539 VanDerWaalsContact O-N 3.11Å; L539-I542 PolarHBondContact O-N 2.88Å; L539-Y543 HydrophobicContact CB-CD2 4.47Å; L539-Y543 HydrophobicContact CD2-CD2 4.39Å; L539-Y543 HydrophobicContact CD2-CE2 4Å; L539-Y543 WeakPolarHBondContact O-CD2 3.24Å; L539-Y543 PolarHBondContact O-N 2.67Å; L539-L617 HydrophobicContact CB-CD2 4.24Å; L539-I619 HydrophobicContact CB-CD1 4.13Å; L539-I619 HydrophobicContact CD1-CD1 4Å; L539-I619 HydrophobicContact CD1-CG1 4.34Å; L539-Y647 HydrophobicContact CD1-CD1 3.58Å; L539-Y647 HydrophobicContact CD1-CD2 4.34Å; L539-Y647 HydrophobicContact CD1-CE1 4.18Å; L539-Y647 HydrophobicContact CD1-CG 3.68Å; L539-Y647 HydrophobicContact CD2-CD1 3.68Å; L539-Y647 HydrophobicContact CD2-CD2 4.33Å; L539-Y647 HydrophobicContact CD2-CE1 3.35Å; L539-Y647 HydrophobicContact CD2-CE2 4.02Å; L539-Y647 HydrophobicContact CD2-CG 4.17Å; L539-Y647 HydrophobicContact CG-CD1 4.29Å; L539-Y647 HydrophobicContact CG-CE1 4.41Å; L539-F649 HydrophobicContact CD1-CE1 4.23Å; L539-F649 HydrophobicContact CD1-CZ 3.93Å
540	L	93	Very high	90.9	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-65.2	-40.3	174.9	-67.6	179.5	0	0	0	111.6	V536 L537 I542 Q544 V549 L566 Y571 L599	V536-L540 HydrophobicContact CG1-CD1 3.68Å; V536-L540 HydrophobicContact CG1-CG 3.9Å; V536-L540 WeakPolarHBondContact O-CG 3.34Å; V536-L540 PolarHBondContact O-N 3.49Å; L537-L540 PolarHBondContact O-N 3.02Å; L540-I542 PolarHBondContact O-N 2.82Å; L540-Q544 WeakPolarHBondContact O-CB 3.37Å; L540-Q544 PolarHBondContact O-N 2.96Å; L540-Q544 VanDerWaalsContact O-N 3.15Å; L540-V549 HydrophobicContact CD2-CB 4.31Å; L540-V549 HydrophobicContact CD2-CG1 3.91Å; L540-V549 HydrophobicContact CD2-CG2 4.23Å; L540-L566 HydrophobicContact CD1-CD1 4.27Å; L540-L566 HydrophobicContact CD1-CD2 3.99Å; L540-Y571 HydrophobicContact CB-CD1 4.1Å; L540-Y571 HydrophobicContact CB-CE1 3.68Å; L540-Y571 HydrophobicContact CD1-CD1 4.02Å; L540-Y571 HydrophobicContact CD1-CD2 4.33Å; L540-Y571 HydrophobicContact CD1-CE1 4.35Å; L540-Y571 HydrophobicContact CD1-CG 4Å; L540-L599 HydrophobicContact CD1-CD2 3.57Å; L540-L599 HydrophobicContact CD2-CD1 3.69Å; L540-L599 HydrophobicContact CD2-CD2 3.81Å; L540-L599 HydrophobicContact CD2-CG 4.34Å; L540-L599 HydrophobicContact CG-CD2 4.35Å
541	G	88.8	Confident	91.2	Very high	51 Å²	51	45.6 Å²	45.6	53%	0.526	23%	0.23	S	C	.	.	H	α-helix	trans	-62.4	-17.8	175.1	0	0	0	0	0	114.7	L537 E538	L537-G541 PolarHBondContact O-N 2.79Å; L537-G541 VanDerWaalsContact O-N 3.07Å; E538-G541 PolarHBondContact O-N 2.77Å
542	I	88.2	Confident	91.3	Very high	90 Å²	90	41 Å²	41	46%	0.462	21%	0.208	S	C	.	.	H	α-helix	trans	-96.9	-55.2	176.1	-62.2	166.2	0	0	0	110.8	E538 L539 L540	E538-I542 PolarHBondContact O-N 2.84Å; L539-I542 PolarHBondContact O-N 2.88Å; L540-I542 PolarHBondContact O-N 2.82Å
543	Y	89.9	Confident	91.4	Very high	20 Å²	20	41 Å²	41	8%	0.078	21%	0.208	C	C	.	.	H	α-helix	trans	-96.5	-15.7	-163	-67.1	-74.5	0	0	0	115.3	L539 E545 E546 G547 L616 L617 F645 Y647	L539-Y543 HydrophobicContact CB-CD2 4.47Å; L539-Y543 HydrophobicContact CD2-CD2 4.39Å; L539-Y543 HydrophobicContact CD2-CE2 4Å; L539-Y543 WeakPolarHBondContact O-CD2 3.24Å; L539-Y543 PolarHBondContact O-N 2.67Å; Y543-E545 VanDerWaalsContact C-N 3.31Å; Y543-E545 PolarHBondContact O-N 3.22Å; Y543-E546 PolarHBondContact O-N 2.74Å; Y543-G547 PolarHBondContact O-N 3.15Å; Y543-L616 HydrophobicContact CD1-CD2 4.07Å; Y543-L617 HydrophobicContact CD2-CD1 4.38Å; Y543-L617 HydrophobicContact CD2-CD2 3.68Å; Y543-L617 HydrophobicContact CG-CB 4.47Å; Y543-L617 HydrophobicContact CG-CD2 3.97Å; Y543-F645 HydrophobicContact CD1-CD2 4.12Å; Y543-F645 HydrophobicContact CD1-CE2 4.4Å; Y543-F645 HydrophobicContact CE1-CD1 4.4Å; Y543-F645 AromaticContact CE1-CD2 3.44Å; Y543-F645 HydrophobicContact CE1-CD2 3.44Å; Y543-F645 VanDerWaalsContact CE1-CD2 3.44Å; Y543-F645 AromaticContact CE1-CE2 3.6Å; Y543-F645 HydrophobicContact CE1-CE2 3.6Å; Y543-F645 AromaticContact CE1-CG 3.88Å; Y543-F645 HydrophobicContact CE1-CG 3.88Å; Y543-F645 HydrophobicContact CE1-CZ 4.16Å; Y543-F645 AromaticContact CZ-CG 3.99Å; Y543-Y647 AromaticContact CE2-CE2 3.74Å; Y543-Y647 HydrophobicContact CE2-CE2 3.74Å; Y543-Y647 AromaticContact CE2-CZ 3.99Å; Y543-Y647 AromaticContact CZ-CE2 3.98Å; Y543-Y647 PolarHBondContact OH-OH 2.96Å
544	Q	81.5	Confident	91.3	Very high	31 Å²	31	44 Å²	44	15%	0.145	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-24.1	-175.4	-174.6	170.1	-45.9	0	0	113.2	L540 R598	L540-Q544 WeakPolarHBondContact O-CB 3.37Å; L540-Q544 PolarHBondContact O-N 2.96Å; L540-Q544 VanDerWaalsContact O-N 3.15Å; Q544-R598 HydrophobicContact CG-CB 4.26Å; Q544-R598 VanDerWaalsContact O-CD 3.24Å; Q544-R598 WeakPolarHBondContact O-CD 3.45Å; Q544-R598 PolarHBondContact O-NH1 2.97Å
545	E	81.9	Confident	91.1	Very high	173 Å²	173	42.6 Å²	42.6	81%	0.808	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-32.3	173.3	-61.7	-157.7	159.1	0	0	112.2	Y543 R598	Y543-E545 VanDerWaalsContact C-N 3.31Å; Y543-E545 PolarHBondContact O-N 3.22Å; E545-R598 VanDerWaalsContact C-NH1 3.26Å; E545-R598 PolarHBondContact O-NH1 3.06Å
546	E	84.2	Confident	91	Very high	136 Å²	136	44.6 Å²	44.6	64%	0.636	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-35.6	-178.7	-62.7	-166.9	148.7	0	0	114	Y543 L616	Y543-E546 PolarHBondContact O-N 2.74Å; E546-L616 HydrophobicContact CB-CD2 3.47Å; E546-L616 VanDerWaalsContact CB-CD2 3.47Å; E546-L616 WeakPolarHBondContact OE2-CD2 3.46Å
547	G	86.7	Confident	91	Very high	14 Å²	14	50.1 Å²	50.1	14%	0.144	25%	0.253	C	S	.	.	S	Bend	trans	-169.8	-168.2	-173.7	0	0	0	0	0	115.7	Y543	Y543-G547 PolarHBondContact O-N 3.15Å
548	S	92	Very high	91	Very high	10 Å²	10	50.9 Å²	50.9	7%	0.07	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	141.6	179.3	-41.9	0	0	0	0	111.2	R598 D614 L615 L616 L617	S548-R598 CarbonylContact C-O 3.59Å; S548-R598 WeakPolarHBondContact CA-O 3.43Å; S548-D614 VanDerWaalsContact CB-O 3.23Å; S548-D614 WeakPolarHBondContact CB-O 3.28Å; S548-D614 PolarHBondContact N-O 3.16Å; S548-D614 PolarHBondContact OG-O 3.17Å; S548-L615 WeakPolarHBondContact O-CD1 3.45Å; S548-L616 PolarHBondContact O-N 3.23Å; S548-L617 PolarHBondContact O-N 3.28Å
549	V	94.2	Very high	91	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132.2	-176.9	-176	0	0	0	0	110	L540 V551 R598 L599 L600 L617 I619	L540-V549 HydrophobicContact CD2-CB 4.31Å; L540-V549 HydrophobicContact CD2-CG1 3.91Å; L540-V549 HydrophobicContact CD2-CG2 4.23Å; V549-V551 HydrophobicContact CG1-CG2 4.31Å; V549-R598 PolarHBondContact N-O 2.79Å; V549-L599 HydrophobicContact CB-CD1 3.9Å; V549-L599 HydrophobicContact CG1-CD1 3.83Å; V549-L600 PolarHBondContact O-N 2.94Å; V549-L617 WeakPolarHBondContact CA-O 3.24Å; V549-L617 HydrophobicContact CG1-CB 4.21Å; V549-L617 HydrophobicContact CG1-CD2 3.78Å; V549-L617 HydrophobicContact CG1-CG 4.01Å; V549-L617 HydrophobicContact CG2-CB 4.19Å; V549-L617 HydrophobicContact CG2-CD2 4.19Å; V549-I619 HydrophobicContact CG1-CD1 4.31Å; V549-I619 HydrophobicContact CG1-CG1 4.46Å
550	L	94.8	Very high	91	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	116.5	175.1	176.8	62.3	0	0	0	110.2	F552 L600 A602 L610 L615 L617 V618 I619 R636	L550-F552 HydrophobicContact CD2-CD2 4.36Å; L550-F552 HydrophobicContact CD2-CE2 3.51Å; L550-F552 HydrophobicContact CD2-CZ 3.7Å; L550-F552 HydrophobicContact CG-CD2 4.21Å; L550-F552 HydrophobicContact CG-CE2 3.84Å; L550-F552 HydrophobicContact CG-CZ 4.29Å; L550-L600 WeakPolarHBondContact CA-O 3.45Å; L550-L600 HydrophobicContact CD1-CB 4.17Å; L550-L600 HydrophobicContact CD1-CD2 4.1Å; L550-L600 HydrophobicContact CD1-CG 4.19Å; L550-A602 HydrophobicContact CD1-CB 3.88Å; L550-L610 HydrophobicContact CD1-CD2 4.24Å; L550-L610 HydrophobicContact CD2-CD2 4.11Å; L550-L615 HydrophobicContact CB-CD1 3.58Å; L550-L615 HydrophobicContact CB-CD2 4.08Å; L550-L615 HydrophobicContact CB-CG 4.43Å; L550-L615 HydrophobicContact CD2-CD2 4.13Å; L550-L617 PolarHBondContact N-O 3.23Å; L550-V618 WeakPolarHBondContact O-CA 3.32Å; L550-I619 PolarHBondContact O-N 3.03Å; L550-R636 HydrophobicContact CD2-CB 4.16Å; L550-R636 HydrophobicContact CD2-CG 3.98Å
551	V	95.9	Very high	91.1	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	123.5	177.2	-172.1	0	0	0	0	109.1	V549 L562 L599 L600 I601 A602 I619	V549-V551 HydrophobicContact CG1-CG2 4.31Å; V551-L562 HydrophobicContact CG1-CD2 3.83Å; V551-L599 HydrophobicContact CG2-CD1 3.8Å; V551-L600 PolarHBondContact N-O 2.91Å; V551-I601 HydrophobicContact CB-CG1 4.34Å; V551-I601 CarbonylContact O-C 3.54Å; V551-I601 WeakPolarHBondContact O-CA 3.36Å; V551-A602 PolarHBondContact O-N 2.94Å; V551-I619 CarbonylContact C-O 3.3Å; V551-I619 WeakPolarHBondContact CA-O 3.42Å; V551-I619 HydrophobicContact CG1-CB 4.3Å; V551-I619 HydrophobicContact CG2-CB 4.3Å; V551-I619 HydrophobicContact CG2-CD1 4.23Å
552	F	96.3	Very high	91.3	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.018	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	122.7	175.5	-79.3	-82.7	0	0	0	111.9	L550 A602 A607 V618 I619 Y621 D622 R633 R636	L550-F552 HydrophobicContact CD2-CD2 4.36Å; L550-F552 HydrophobicContact CD2-CE2 3.51Å; L550-F552 HydrophobicContact CD2-CZ 3.7Å; L550-F552 HydrophobicContact CG-CD2 4.21Å; L550-F552 HydrophobicContact CG-CE2 3.84Å; L550-F552 HydrophobicContact CG-CZ 4.29Å; F552-A602 WeakPolarHBondContact CA-O 3.31Å; F552-A607 HydrophobicContact CE1-CB 3.61Å; F552-A607 HydrophobicContact CZ-CB 3.9Å; F552-V618 HydrophobicContact CD2-CG1 3.82Å; F552-V618 HydrophobicContact CE2-CG1 3.98Å; F552-I619 PolarHBondContact N-O 2.86Å; F552-Y621 WeakPolarHBondContact O-CB 3.16Å; F552-Y621 PolarHBondContact O-N 3.03Å; F552-D622 PolarHBondContact O-N 3.49Å; F552-R633 HydrophobicContact CD1-CG 3.88Å; F552-R633 HydrophobicContact CD2-CB 3.87Å; F552-R633 HydrophobicContact CD2-CG 3.85Å; F552-R633 HydrophobicContact CE1-CG 3.85Å; F552-R633 HydrophobicContact CE2-CB 3.71Å; F552-R633 HydrophobicContact CE2-CG 3.83Å; F552-R633 HydrophobicContact CG-CB 4.39Å; F552-R633 HydrophobicContact CG-CG 3.87Å; F552-R633 HydrophobicContact CZ-CB 4.11Å; F552-R633 HydrophobicContact CZ-CG 3.82Å; F552-R636 HydrophobicContact CE2-CG 4.03Å; F552-R636 HydrophobicContact CZ-CG 3.88Å
553	V	94.9	Very high	91.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	163.4	169.4	-65.8	0	0	0	0	110.6	K555 A559 L562 I601 A602 T603 Y621 D622	V553-K555 WeakPolarHBondContact CG2-O 3.37Å; V553-A559 HydrophobicContact CG2-CB 3.71Å; V553-L562 HydrophobicContact CG1-CD2 4.06Å; V553-I601 HydrophobicContact CG1-CG2 4.16Å; V553-I601 HydrophobicContact CG2-CG2 4.25Å; V553-A602 PolarHBondContact N-O 2.95Å; V553-T603 HydrophobicContact CG2-CG2 4.25Å; V553-Y621 HydrophobicContact CG1-CD1 4.09Å; V553-Y621 HydrophobicContact CG1-CG 4.28Å; V553-D622 VanDerWaalsContact CA-OD2 3.3Å; V553-D622 WeakPolarHBondContact CA-OD2 3.36Å; V553-D622 WeakPolarHBondContact CB-OD2 3.5Å
554	E	91	Very high	91.8	Very high	89 Å²	89	51.8 Å²	51.8	42%	0.416	25%	0.246	S	C	.	.	S	Bend	trans	-77.1	-57.1	173.5	-176	-178.5	-122.9	0	0	111.5	D622 N625	E554-D622 HydrophobicContact CB-CB 4.06Å; E554-D622 PolarHBondContact N-OD2 3.02Å; E554-N625 PolarHBondContact OE1-ND2 2.9Å
555	K	91	Very high	92.4	Very high	113 Å²	113	52.1 Å²	52.1	49%	0.491	25%	0.25	S	S	.	.	S	Bend	trans	-100.2	155.6	-169.6	-57.5	-173.9	-178	-176.1	0	111.9	V553 A559	V553-K555 WeakPolarHBondContact CG2-O 3.37Å; K555-A559 PolarHBondContact O-N 3.2Å
556	Q	92.6	Very high	93	Very high	75 Å²	75	43.9 Å²	43.9	35%	0.35	21%	0.212	S	C	.	.	H	α-helix	trans	-72.8	-34.8	179.2	62.7	179.3	-0.5	0	0	112	S558 A559 D560 H577	Q556-S558 VanDerWaalsContact C-N 3.28Å; Q556-S558 PolarHBondContact O-N 3.39Å; Q556-A559 WeakPolarHBondContact O-CA 3.45Å; Q556-A559 VanDerWaalsContact O-CB 3.25Å; Q556-A559 WeakPolarHBondContact O-CB 3.37Å; Q556-A559 PolarHBondContact O-N 3.06Å; Q556-D560 PolarHBondContact O-N 3.42Å; Q556-H577 HydrophobicContact CB-CB 3.67Å; Q556-H577 WeakPolarHBondContact CB-ND1 3.33Å; Q556-H577 PolarHBondContact OE1-ND1 3.16Å
557	E	93.5	Very high	93.5	Very high	117 Å²	117	41.6 Å²	41.6	55%	0.547	20%	0.203	S	C	.	.	H	α-helix	trans	-63.1	-39.9	177.1	-60.1	71.5	-156.3	0	0	109.9	A559 D560 E561	E557-A559 VanDerWaalsContact C-N 3.29Å; E557-A559 PolarHBondContact O-N 3.45Å; E557-D560 PolarHBondContact O-N 3.22Å; E557-E561 WeakPolarHBondContact O-CB 3.38Å; E557-E561 PolarHBondContact O-N 2.98Å
558	S	92.7	Very high	93.8	Very high	43 Å²	43	49.4 Å²	49.4	30%	0.301	23%	0.233	S	C	.	.	H	α-helix	trans	-63.5	-30.5	171.8	-52.6	0	0	0	0	113.1	Q556 L562	Q556-S558 VanDerWaalsContact C-N 3.28Å; Q556-S558 PolarHBondContact O-N 3.39Å; S558-L562 VanDerWaalsContact O-CB 3.23Å; S558-L562 WeakPolarHBondContact O-CB 3.49Å; S558-L562 PolarHBondContact O-N 2.99Å
559	A	93.8	Very high	93.7	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-67.9	-46.4	177.4	0	0	0	0	0	111.2	V553 K555 Q556 E557 M563 I601	V553-A559 HydrophobicContact CG2-CB 3.71Å; K555-A559 PolarHBondContact O-N 3.2Å; Q556-A559 WeakPolarHBondContact O-CA 3.45Å; Q556-A559 VanDerWaalsContact O-CB 3.25Å; Q556-A559 WeakPolarHBondContact O-CB 3.37Å; Q556-A559 PolarHBondContact O-N 3.06Å; E557-A559 VanDerWaalsContact C-N 3.29Å; E557-A559 PolarHBondContact O-N 3.45Å; A559-M563 VanDerWaalsContact O-CB 3.26Å; A559-M563 WeakPolarHBondContact O-CB 3.46Å; A559-M563 PolarHBondContact O-N 2.66Å; A559-I601 HydrophobicContact CB-CG2 4.07Å
560	D	94	Very high	93.5	Very high	36 Å²	36	57.1 Å²	57.1	19%	0.193	28%	0.281	C	S	.	.	H	α-helix	trans	-75.9	-27.9	-180	-72.2	-19.9	0	0	0	113	Q556 E557 R564 S575 H577	Q556-D560 PolarHBondContact O-N 3.42Å; E557-D560 PolarHBondContact O-N 3.22Å; D560-R564 WeakPolarHBondContact O-CB 3.19Å; D560-R564 PolarHBondContact O-N 3.16Å; D560-R564 VanDerWaalsContact O-N 3.12Å; D560-S575 VanDerWaalsContact OD1-CB 3.25Å; D560-S575 WeakPolarHBondContact OD1-CB 3.31Å; D560-S575 PolarHBondContact OD1-OG 2.89Å; D560-H577 IonicContact OD1-NE2 3.57Å; D560-H577 IonicContact OD2-CE1 2.67Å; D560-H577 IonicContact OD2-NE2 2.84Å
561	E	94.4	Very high	93.4	Very high	89 Å²	89	59.9 Å²	59.9	42%	0.416	29%	0.292	S	S	.	.	H	α-helix	trans	-66.8	-53.3	169.7	-165.8	58.7	-126.8	0	0	110.8	E557 M563 R564 V565	E557-E561 WeakPolarHBondContact O-CB 3.38Å; E557-E561 PolarHBondContact O-N 2.98Å; E561-M563 VanDerWaalsContact C-N 3.28Å; E561-M563 PolarHBondContact O-N 3.28Å; E561-R564 WeakPolarHBondContact O-CB 3.38Å; E561-R564 PolarHBondContact O-N 3.14Å; E561-R564 VanDerWaalsContact O-N 3.07Å; E561-R564 IonicContact OE1-CZ 3.94Å; E561-R564 IonicContact OE1-NH1 3.3Å; E561-R564 PolarHBondContact OE1-NH1 3.28Å; E561-R564 IonicContact OE1-NH2 2.82Å; E561-R564 IonicContact OE2-CZ 2.97Å; E561-R564 IonicContact OE2-NH1 3.62Å; E561-R564 PolarHBondContact OE2-NH1 3.09Å; E561-R564 IonicContact OE2-NH2 3.8Å; E561-R564 PolarHBondContact OE2-NH2 3.26Å; E561-V565 WeakPolarHBondContact O-CG2 3.37Å; E561-V565 PolarHBondContact O-N 3.4Å
562	L	94.5	Very high	93.2	Very high	8 Å²	8	63.5 Å²	63.5	4%	0.042	32%	0.315	C	S	.	.	H	α-helix	trans	-62.3	-36.5	178.6	-174	60.3	0	0	0	111.7	V551 V553 S558 V565 L566 I601 Y621	V551-L562 HydrophobicContact CG1-CD2 3.83Å; V553-L562 HydrophobicContact CG1-CD2 4.06Å; S558-L562 VanDerWaalsContact O-CB 3.23Å; S558-L562 WeakPolarHBondContact O-CB 3.49Å; S558-L562 PolarHBondContact O-N 2.99Å; L562-V565 PolarHBondContact O-N 3.23Å; L562-L566 HydrophobicContact CD1-CD1 4.01Å; L562-L566 HydrophobicContact CD1-CG 4.05Å; L562-L566 HydrophobicContact CG-CD1 3.89Å; L562-L566 HydrophobicContact CG-CG 4.32Å; L562-L566 WeakPolarHBondContact O-CB 3.41Å; L562-L566 VanDerWaalsContact O-CG 3.31Å; L562-L566 WeakPolarHBondContact O-CG 3.21Å; L562-L566 PolarHBondContact O-N 3.43Å; L562-I601 HydrophobicContact CB-CD1 4.32Å; L562-I601 HydrophobicContact CD2-CG2 4.22Å; L562-I601 HydrophobicContact CG-CD1 4.15Å; L562-Y621 HydrophobicContact CD1-CD2 4.46Å; L562-Y621 HydrophobicContact CD1-CE2 3.91Å; L562-Y621 HydrophobicContact CD2-CD2 3.78Å; L562-Y621 HydrophobicContact CD2-CE2 4.01Å; L562-Y621 HydrophobicContact CD2-CG 4.05Å
563	M	94.6	Very high	93	Very high	27 Å²	27	63.6 Å²	63.6	13%	0.133	32%	0.317	C	S	.	.	H	α-helix	trans	-58.7	-47.9	172.1	-176.9	177.2	60.4	0	0	111.4	A559 E561 V565 L566 L567 S575 I601	A559-M563 VanDerWaalsContact O-CB 3.26Å; A559-M563 WeakPolarHBondContact O-CB 3.46Å; A559-M563 PolarHBondContact O-N 2.66Å; E561-M563 VanDerWaalsContact C-N 3.28Å; E561-M563 PolarHBondContact O-N 3.28Å; M563-V565 VanDerWaalsContact C-N 3.33Å; M563-V565 PolarHBondContact O-N 3.4Å; M563-L566 PolarHBondContact O-N 2.86Å; M563-L567 HydrophobicContact CG-CD1 3.79Å; M563-L567 HydrophobicContact CG-CG 4.33Å; M563-L567 VanDerWaalsContact O-CB 3.32Å; M563-L567 WeakPolarHBondContact O-CB 3.47Å; M563-L567 VanDerWaalsContact O-CG 3.22Å; M563-L567 WeakPolarHBondContact O-CG 3.44Å; M563-L567 PolarHBondContact O-N 2.94Å; M563-S575 PolarHBondContact SD-N 2.9Å; M563-S575 VanDerWaalsContact SD-N 3.37Å; M563-I601 VanDerWaalsContact CA-CD1 3.45Å; M563-I601 HydrophobicContact CB-CD1 3.83Å
564	R	94.4	Very high	93	Very high	123 Å²	123	66 Å²	66	46%	0.464	33%	0.329	S	S	.	.	H	α-helix	trans	-64.4	-38.6	179.9	-160.1	-173.6	-40.4	119.8	18.8	112.2	D560 E561 K568	D560-R564 WeakPolarHBondContact O-CB 3.19Å; D560-R564 PolarHBondContact O-N 3.16Å; D560-R564 VanDerWaalsContact O-N 3.12Å; E561-R564 WeakPolarHBondContact O-CB 3.38Å; E561-R564 PolarHBondContact O-N 3.14Å; E561-R564 VanDerWaalsContact O-N 3.07Å; E561-R564 IonicContact OE1-CZ 3.94Å; E561-R564 IonicContact OE1-NH1 3.3Å; E561-R564 PolarHBondContact OE1-NH1 3.28Å; E561-R564 IonicContact OE1-NH2 2.82Å; E561-R564 IonicContact OE2-CZ 2.97Å; E561-R564 IonicContact OE2-NH1 3.62Å; E561-R564 PolarHBondContact OE2-NH1 3.09Å; E561-R564 IonicContact OE2-NH2 3.8Å; E561-R564 PolarHBondContact OE2-NH2 3.26Å; R564-K568 WeakPolarHBondContact O-CB 3.45Å; R564-K568 PolarHBondContact O-N 3.13Å; R564-K568 VanDerWaalsContact O-N 3.12Å
565	V	94.1	Very high	93.2	Very high	38 Å²	38	62.2 Å²	62.2	23%	0.23	31%	0.313	C	S	.	.	H	α-helix	trans	-65.5	-49.6	176.1	173	0	0	0	0	110.8	V533 E561 L562 M563 K568 Y569	V533-V565 HydrophobicContact CG1-CG1 3.69Å; E561-V565 WeakPolarHBondContact O-CG2 3.37Å; E561-V565 PolarHBondContact O-N 3.4Å; L562-V565 PolarHBondContact O-N 3.23Å; M563-V565 VanDerWaalsContact C-N 3.33Å; M563-V565 PolarHBondContact O-N 3.4Å; V565-K568 WeakPolarHBondContact O-CB 3.34Å; V565-K568 PolarHBondContact O-N 3.09Å; V565-Y569 HydrophobicContact CG1-CD2 4.01Å; V565-Y569 HydrophobicContact CG1-CE2 3.77Å; V565-Y569 WeakPolarHBondContact O-CD2 3.41Å; V565-Y569 PolarHBondContact O-N 3.16Å
566	L	93.9	Very high	93.2	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-69.1	-37.4	-178	-65.9	176.3	0	0	0	112.6	V536 L537 L540 L562 M563 K568 Y569 G570 Y571 L599 I601	V536-L566 HydrophobicContact CG1-CD1 4.01Å; V536-L566 HydrophobicContact CG1-CD2 3.95Å; L537-L566 HydrophobicContact CD2-CD2 3.66Å; L537-L566 HydrophobicContact CG-CD2 4.29Å; L540-L566 HydrophobicContact CD1-CD1 4.27Å; L540-L566 HydrophobicContact CD1-CD2 3.99Å; L562-L566 HydrophobicContact CD1-CD1 4.01Å; L562-L566 HydrophobicContact CD1-CG 4.05Å; L562-L566 HydrophobicContact CG-CD1 3.89Å; L562-L566 HydrophobicContact CG-CG 4.32Å; L562-L566 WeakPolarHBondContact O-CB 3.41Å; L562-L566 VanDerWaalsContact O-CG 3.31Å; L562-L566 WeakPolarHBondContact O-CG 3.21Å; L562-L566 PolarHBondContact O-N 3.43Å; M563-L566 PolarHBondContact O-N 2.86Å; L566-K568 VanDerWaalsContact C-N 3.3Å; L566-K568 PolarHBondContact O-N 3.33Å; L566-Y569 CarbonylContact O-C 3.57Å; L566-Y569 PolarHBondContact O-N 3.45Å; L566-Y569 VanDerWaalsContact O-N 3.12Å; L566-G570 PolarHBondContact O-N 2.99Å; L566-Y571 PolarHBondContact O-N 3.27Å; L566-L599 HydrophobicContact CD1-CD2 4.28Å; L566-I601 HydrophobicContact CD1-CD1 4.1Å
567	L	93.6	Very high	93.2	Very high	87 Å²	87	54 Å²	54	46%	0.455	28%	0.276	S	S	.	.	H	α-helix	trans	-60.3	-38.1	170.5	-73.6	170.8	0	0	0	112.1	M563 Y569 G570	M563-L567 HydrophobicContact CG-CD1 3.79Å; M563-L567 HydrophobicContact CG-CG 4.33Å; M563-L567 VanDerWaalsContact O-CB 3.32Å; M563-L567 WeakPolarHBondContact O-CB 3.47Å; M563-L567 VanDerWaalsContact O-CG 3.22Å; M563-L567 WeakPolarHBondContact O-CG 3.44Å; M563-L567 PolarHBondContact O-N 2.94Å; L567-Y569 VanDerWaalsContact C-N 3.28Å; L567-Y569 PolarHBondContact O-N 3.28Å; L567-G570 PolarHBondContact O-N 3.19Å
568	K	93	Very high	92.7	Very high	178 Å²	178	51.9 Å²	51.9	77%	0.774	29%	0.285	S	S	*	.	H	α-helix	trans	-64.9	-30.7	175.2	-177.2	-174	174.3	-170.4	0	112.6	R564 V565 L566 G570	R564-K568 WeakPolarHBondContact O-CB 3.45Å; R564-K568 PolarHBondContact O-N 3.13Å; R564-K568 VanDerWaalsContact O-N 3.12Å; V565-K568 WeakPolarHBondContact O-CB 3.34Å; V565-K568 PolarHBondContact O-N 3.09Å; L566-K568 VanDerWaalsContact C-N 3.3Å; L566-K568 PolarHBondContact O-N 3.33Å; K568-G570 VanDerWaalsContact C-N 3.25Å
569	Y	91.5	Very high	92.4	Very high	111 Å²	111	52.4 Å²	52.4	44%	0.435	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	4.9	171.5	-71.2	-69.2	0	0	0	113.8	L537 V565 L566 L567	L537-Y569 HydrophobicContact CD1-CD1 4.31Å; L537-Y569 HydrophobicContact CD1-CD2 3.8Å; L537-Y569 HydrophobicContact CD1-CE1 4.29Å; L537-Y569 HydrophobicContact CD1-CE2 3.78Å; L537-Y569 HydrophobicContact CD1-CG 4.09Å; L537-Y569 HydrophobicContact CD2-CD2 3.87Å; L537-Y569 HydrophobicContact CD2-CG 3.86Å; L537-Y569 HydrophobicContact CG-CD2 4.44Å; V565-Y569 HydrophobicContact CG1-CD2 4.01Å; V565-Y569 HydrophobicContact CG1-CE2 3.77Å; V565-Y569 WeakPolarHBondContact O-CD2 3.41Å; V565-Y569 PolarHBondContact O-N 3.16Å; L566-Y569 CarbonylContact O-C 3.57Å; L566-Y569 PolarHBondContact O-N 3.45Å; L566-Y569 VanDerWaalsContact O-N 3.12Å; L567-Y569 VanDerWaalsContact C-N 3.28Å; L567-Y569 PolarHBondContact O-N 3.28Å
570	G	90.2	Very high	92.1	Very high	62 Å²	62	54.2 Å²	54.2	64%	0.639	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	6.3	176.3	0	0	0	0	0	115.2	L566 L567 K568 P572	L566-G570 PolarHBondContact O-N 2.99Å; L567-G570 PolarHBondContact O-N 3.19Å; K568-G570 VanDerWaalsContact C-N 3.25Å; G570-P572 WeakPolarHBondContact O-CD 3.41Å
571	Y	91.2	Very high	91.7	Very high	58 Å²	58	56.6 Å²	56.6	23%	0.227	32%	0.32	C	S	.	.			trans	-86.1	114.1	178.2	-71.5	-81.7	0	0	0	110.9	L537 L540 L566 C573	L537-Y571 HydrophobicContact CD2-CD2 3.8Å; L537-Y571 HydrophobicContact CD2-CE2 3.57Å; L540-Y571 HydrophobicContact CB-CD1 4.1Å; L540-Y571 HydrophobicContact CB-CE1 3.68Å; L540-Y571 HydrophobicContact CD1-CD1 4.02Å; L540-Y571 HydrophobicContact CD1-CD2 4.33Å; L540-Y571 HydrophobicContact CD1-CE1 4.35Å; L540-Y571 HydrophobicContact CD1-CG 4Å; L566-Y571 PolarHBondContact O-N 3.27Å; Y571-C573 PolarHBondContact O-N 2.85Å
572	P	91.8	Very high	91.1	Very high	76 Å²	76	54 Å²	54	49%	0.494	31%	0.308	S	S	.	.			trans	-73.6	111.6	179.6	29.1	-33.9	0	0	0	110.9	G570	G570-P572 WeakPolarHBondContact O-CD 3.41Å
573	C	93.6	Very high	90.7	Very high	6 Å²	6	61.7 Å²	61.7	4%	0.041	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	163.7	-179.2	60.6	0	0	0	0	112.8	Y571 L599 I601	Y571-C573 PolarHBondContact O-N 2.85Å; C573-L599 VanDerWaalsContact CA-O 3.3Å; C573-L599 WeakPolarHBondContact CA-O 3.35Å; C573-L599 HydrophobicContact CB-CB 4.04Å; C573-L599 HydrophobicContact CB-CD2 3.77Å; C573-L599 HydrophobicContact CB-CG 3.62Å; C573-I601 HydrophobicContact CB-CD1 4.38Å
574	L	94.3	Very high	90.5	Very high	50 Å²	50	65.3 Å²	65.3	26%	0.262	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	154	169.2	-65.9	176.4	0	0	0	110.7	V588 I597 L599 L600 I601	L574-V588 HydrophobicContact CB-CG1 3.97Å; L574-V588 HydrophobicContact CD1-CB 4.22Å; L574-V588 HydrophobicContact CD1-CG1 3.91Å; L574-V588 HydrophobicContact CD1-CG2 3.95Å; L574-I597 HydrophobicContact CD1-CD1 3.45Å; L574-I597 VanDerWaalsContact CD1-CD1 3.45Å; L574-I597 HydrophobicContact CD2-CD1 4.42Å; L574-I597 HydrophobicContact CG-CD1 3.73Å; L574-L599 PolarHBondContact N-O 3.44Å; L574-L600 HydrophobicContact CB-CD1 4.22Å; L574-I601 PolarHBondContact O-N 3.32Å
575	S	94.4	Very high	90.1	Very high	10 Å²	10	60.8 Å²	60.8	7%	0.07	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	154.7	167.3	61.6	0	0	0	0	111.6	D560 M563 I580 I601	D560-S575 VanDerWaalsContact OD1-CB 3.25Å; D560-S575 WeakPolarHBondContact OD1-CB 3.31Å; D560-S575 PolarHBondContact OD1-OG 2.89Å; M563-S575 PolarHBondContact SD-N 2.9Å; M563-S575 VanDerWaalsContact SD-N 3.37Å; S575-I580 WeakPolarHBondContact O-CD1 3.43Å; S575-I601 CarbonylContact C-O 3.58Å; S575-I601 VanDerWaalsContact CA-O 3.28Å; S575-I601 WeakPolarHBondContact CA-O 3.35Å
576	L	92.6	Very high	89.7	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	98.8	177.1	-165.9	80.9	0	0	0	109.8	R585 V588 I589 L600 I601 A602 T603 A606	L576-R585 HydrophobicContact CD1-CG 3.7Å; L576-V588 HydrophobicContact CD1-CB 4.07Å; L576-V588 HydrophobicContact CD1-CG1 3.75Å; L576-I589 HydrophobicContact CD1-CD1 4.28Å; L576-I589 HydrophobicContact CD1-CG1 3.91Å; L576-I589 HydrophobicContact CD2-CD1 4.42Å; L576-I589 HydrophobicContact CD2-CG1 4.17Å; L576-L600 HydrophobicContact CB-CD1 4.09Å; L576-L600 HydrophobicContact CB-CG 4.4Å; L576-L600 HydrophobicContact CD2-CD2 4.24Å; L576-I601 PolarHBondContact N-O 3.03Å; L576-A602 HydrophobicContact CB-CB 3.99Å; L576-A602 HydrophobicContact CD2-CB 4.41Å; L576-A602 VanDerWaalsContact O-CA 3.28Å; L576-A602 WeakPolarHBondContact O-CA 3.44Å; L576-T603 PolarHBondContact O-N 2.92Å; L576-T603 VanDerWaalsContact O-N 3.1Å; L576-A606 HydrophobicContact CD2-CB 4.29Å; L576-A606 WeakPolarHBondContact CD2-O 3.26Å; L576-A606 HydrophobicContact CG-CB 4.09Å; L576-A606 VanDerWaalsContact O-CB 3.25Å; L576-A606 WeakPolarHBondContact O-CB 3.43Å
577	H	91	Very high	89.5	Confident	14 Å²	14	63.9 Å²	63.9	7%	0.065	36%	0.36	C	S	.	.			trans	-140.6	172	-179.5	59.8	104.2	0	0	0	111.1	Q556 D560 G579 I580 T603	Q556-H577 HydrophobicContact CB-CB 3.67Å; Q556-H577 WeakPolarHBondContact CB-ND1 3.33Å; Q556-H577 PolarHBondContact OE1-ND1 3.16Å; D560-H577 IonicContact OD1-NE2 3.57Å; D560-H577 IonicContact OD2-CE1 2.67Å; D560-H577 IonicContact OD2-NE2 2.84Å; H577-G579 PolarHBondContact ND1-N 2.95Å; H577-G579 PolarHBondContact O-N 2.97Å; H577-I580 VanDerWaalsContact NE2-CG1 3.33Å; H577-I580 WeakPolarHBondContact NE2-CG1 3.16Å; H577-I580 PolarHBondContact O-N 2.85Å; H577-T603 HydrophobicContact CB-CG2 3.93Å
578	G	84.4	Confident	89.4	Confident	73 Å²	73	60.5 Å²	60.5	75%	0.753	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-6.1	-176.5	0	0	0	0	0	115.5
579	G	85.1	Confident	89.2	Confident	54 Å²	54	53 Å²	53	56%	0.557	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-6.5	177.3	0	0	0	0	0	114.9	H577	H577-G579 PolarHBondContact ND1-N 2.95Å; H577-G579 PolarHBondContact O-N 2.97Å
580	I	87.2	Confident	89	Confident	38 Å²	38	52 Å²	52	20%	0.195	31%	0.311	C	S	.	.	S	Bend	trans	-81	139.1	176.8	-59.8	173.4	0	0	0	109.2	S575 H577 D584 R585	S575-I580 WeakPolarHBondContact O-CD1 3.43Å; H577-I580 VanDerWaalsContact NE2-CG1 3.33Å; H577-I580 WeakPolarHBondContact NE2-CG1 3.16Å; H577-I580 PolarHBondContact O-N 2.85Å; I580-D584 HydrophobicContact CG2-CB 3.77Å; I580-R585 HydrophobicContact CG2-CB 4.17Å
581	D	86.6	Confident	89	Confident	86 Å²	86	50.8 Å²	50.8	46%	0.46	29%	0.29	S	S	.	.			trans	-56.9	146.6	174	179.5	73.2	0	0	0	111.4	Y583 D584 R585	D581-Y583 VanDerWaalsContact C-N 3.3Å; D581-Y583 PolarHBondContact O-N 3.37Å; D581-Y583 WeakPolarHBondContact OD2-CB 3.35Å; D581-Y583 WeakPolarHBondContact OD2-CD2 3.34Å; D581-Y583 PolarHBondContact OD2-N 3.01Å; D581-D584 PolarHBondContact O-N 3.03Å; D581-R585 VanDerWaalsContact O-CB 3.31Å; D581-R585 WeakPolarHBondContact O-CB 3.33Å; D581-R585 PolarHBondContact O-N 3.2Å
582	Q	82.5	Confident	89	Confident	35 Å²	35	48.2 Å²	48.2	16%	0.164	28%	0.28	C	S	.	.	H	α-helix	trans	-67.9	-26.1	-171.5	-173.5	59.4	88.6	0	0	114	R382 G409 D586	R382-Q582 VanDerWaalsContact CD-CD 3.49Å; R382-Q582 VanDerWaalsContact CD-OE1 3.28Å; G409-Q582 WeakPolarHBondContact O-CG 3.36Å; Q582-D586 PolarHBondContact NE2-OD1 3.25Å; Q582-D586 WeakPolarHBondContact O-CB 3.38Å; Q582-D586 PolarHBondContact O-N 2.85Å; Q582-D586 VanDerWaalsContact O-N 3.09Å
583	Y	85.9	Confident	88.8	Confident	170 Å²	170	49.5 Å²	49.5	67%	0.667	28%	0.278	S	S	*	.	H	α-helix	trans	-73.6	-42.2	172.4	-69.7	-79.9	0	0	0	111.6	D581 D586 S587	D581-Y583 VanDerWaalsContact C-N 3.3Å; D581-Y583 PolarHBondContact O-N 3.37Å; D581-Y583 WeakPolarHBondContact OD2-CB 3.35Å; D581-Y583 WeakPolarHBondContact OD2-CD2 3.34Å; D581-Y583 PolarHBondContact OD2-N 3.01Å; Y583-D586 PolarHBondContact O-N 3.06Å; Y583-S587 PolarHBondContact O-N 2.72Å
584	D	89.3	Confident	88.5	Confident	102 Å²	102	56.8 Å²	56.8	55%	0.545	30%	0.304	S	S	.	.	H	α-helix	trans	-66.9	-40.5	176.7	-67.9	-26.3	0	0	0	110.6	I580 D581 D586 S587 V588	I580-D584 HydrophobicContact CG2-CB 3.77Å; D581-D584 PolarHBondContact O-N 3.03Å; D584-D586 PolarHBondContact O-N 3.32Å; D584-S587 WeakPolarHBondContact O-CB 3.44Å; D584-S587 PolarHBondContact O-N 2.91Å; D584-S587 VanDerWaalsContact O-N 3.12Å; D584-V588 WeakPolarHBondContact O-CG2 3.47Å; D584-V588 PolarHBondContact O-N 3.1Å
585	R	86.7	Confident	88.1	Confident	28 Å²	28	56.1 Å²	56.1	11%	0.106	31%	0.31	C	S	.	.	H	α-helix	trans	-60.2	-43.3	174	-169.4	179.2	174	-126.9	-11	112.1	E383 L576 I580 D581 S587 I589 A606	E383-R585 IonicContact OE1-CZ 2.7Å; E383-R585 IonicContact OE1-NH1 2.69Å; E383-R585 PolarHBondContact OE1-NH1 3.31Å; E383-R585 IonicContact OE1-NH2 3.22Å; E383-R585 PolarHBondContact OE1-NH2 2.65Å; E383-R585 IonicContact OE2-CZ 3.82Å; E383-R585 IonicContact OE2-NH1 3.92Å; E383-R585 IonicContact OE2-NH2 3.42Å; E383-R585 PolarHBondContact OE2-NH2 2.98Å; L576-R585 HydrophobicContact CD1-CG 3.7Å; I580-R585 HydrophobicContact CG2-CB 4.17Å; D581-R585 VanDerWaalsContact O-CB 3.31Å; D581-R585 WeakPolarHBondContact O-CB 3.33Å; D581-R585 PolarHBondContact O-N 3.2Å; R585-S587 VanDerWaalsContact C-N 3.33Å; R585-I589 HydrophobicContact CG-CD1 4.23Å; R585-I589 VanDerWaalsContact O-CG1 3.27Å; R585-I589 WeakPolarHBondContact O-CG1 3.48Å; R585-I589 PolarHBondContact O-N 3.34Å; R585-I589 VanDerWaalsContact O-N 3.09Å; R585-A606 PolarHBondContact NH2-O 2.72Å
586	D	85.8	Confident	87.8	Confident	49 Å²	49	60.5 Å²	60.5	26%	0.262	33%	0.333	S	S	.	.	H	α-helix	trans	-65.6	-35.4	174.5	-80.9	12.2	0	0	0	111.5	R382 Q582 Y583 D584 M590	R382-D586 IonicContact CZ-OD1 2.65Å; R382-D586 IonicContact CZ-OD2 3.84Å; R382-D586 IonicContact NE-OD1 3.57Å; R382-D586 PolarHBondContact NE-OD1 3.47Å; R382-D586 IonicContact NE-OD2 2.71Å; R382-D586 IonicContact NH2-OD1 3.08Å; R382-D586 IonicContact NH2-OD2 3.43Å; R382-D586 PolarHBondContact NH2-OD2 2.86Å; Q582-D586 PolarHBondContact NE2-OD1 3.25Å; Q582-D586 WeakPolarHBondContact O-CB 3.38Å; Q582-D586 PolarHBondContact O-N 2.85Å; Q582-D586 VanDerWaalsContact O-N 3.09Å; Y583-D586 PolarHBondContact O-N 3.06Å; D584-D586 PolarHBondContact O-N 3.32Å; D586-M590 WeakPolarHBondContact O-CB 3.44Å; D586-M590 PolarHBondContact O-N 3.47Å
587	S	90	Very high	87.7	Confident	55 Å²	55	62.6 Å²	62.6	39%	0.385	34%	0.343	S	S	.	.	H	α-helix	trans	-67	-49.1	173.9	-158.7	0	0	0	0	112	Y583 D584 R585 I589 M590 D591	Y583-S587 PolarHBondContact O-N 2.72Å; D584-S587 WeakPolarHBondContact O-CB 3.44Å; D584-S587 PolarHBondContact O-N 2.91Å; D584-S587 VanDerWaalsContact O-N 3.12Å; R585-S587 VanDerWaalsContact C-N 3.33Å; S587-I589 VanDerWaalsContact C-N 3.27Å; S587-I589 PolarHBondContact O-N 2.64Å; S587-M590 CarbonylContact O-C 3.48Å; S587-M590 WeakPolarHBondContact O-CA 3.31Å; S587-M590 WeakPolarHBondContact O-CB 3.45Å; S587-M590 PolarHBondContact O-N 2.83Å; S587-D591 PolarHBondContact O-N 2.87Å; S587-D591 PolarHBondContact OG-OD2 3.43Å
588	V	91.1	Very high	87.7	Confident	15 Å²	15	67.3 Å²	67.3	9%	0.091	36%	0.36	C	S	.	.	H	α-helix	trans	-53.6	-46.2	177.3	175.4	0	0	0	0	110.6	L574 L576 D584 M590 F592 L600	L574-V588 HydrophobicContact CB-CG1 3.97Å; L574-V588 HydrophobicContact CD1-CB 4.22Å; L574-V588 HydrophobicContact CD1-CG1 3.91Å; L574-V588 HydrophobicContact CD1-CG2 3.95Å; L576-V588 HydrophobicContact CD1-CB 4.07Å; L576-V588 HydrophobicContact CD1-CG1 3.75Å; D584-V588 WeakPolarHBondContact O-CG2 3.47Å; D584-V588 PolarHBondContact O-N 3.1Å; V588-M590 VanDerWaalsContact C-N 3.34Å; V588-M590 PolarHBondContact O-N 3.45Å; V588-F592 WeakPolarHBondContact O-CB 3.48Å; V588-F592 PolarHBondContact O-N 3.03Å; V588-L600 HydrophobicContact CG1-CD1 3.51Å
589	I	87.6	Confident	88.2	Confident	21 Å²	21	63.8 Å²	63.8	11%	0.108	33%	0.325	C	S	.	.	H	α-helix	trans	-65.3	-36.8	176.9	-68	168.7	0	0	0	111.3	E383 L576 R585 S587 K593 L610	E383-I589 HydrophobicContact CG-CD1 4.06Å; L576-I589 HydrophobicContact CD1-CD1 4.28Å; L576-I589 HydrophobicContact CD1-CG1 3.91Å; L576-I589 HydrophobicContact CD2-CD1 4.42Å; L576-I589 HydrophobicContact CD2-CG1 4.17Å; R585-I589 HydrophobicContact CG-CD1 4.23Å; R585-I589 VanDerWaalsContact O-CG1 3.27Å; R585-I589 WeakPolarHBondContact O-CG1 3.48Å; R585-I589 PolarHBondContact O-N 3.34Å; R585-I589 VanDerWaalsContact O-N 3.09Å; S587-I589 VanDerWaalsContact C-N 3.27Å; S587-I589 PolarHBondContact O-N 2.64Å; I589-K593 HydrophobicContact CG2-CD 4.04Å; I589-K593 VanDerWaalsContact O-CB 3.25Å; I589-K593 WeakPolarHBondContact O-CB 3.31Å; I589-K593 WeakPolarHBondContact O-CG 3.3Å; I589-K593 PolarHBondContact O-N 3.3Å; I589-L610 HydrophobicContact CG2-CD1 4.11Å
590	M	87.7	Confident	88.6	Confident	90 Å²	90	61.3 Å²	61.3	44%	0.443	30%	0.298	S	S	.	.	H	α-helix	trans	-71.3	-40.9	178.6	-166.5	-178.2	-50.9	0	0	112.6	D586 S587 V588 K593 R594	D586-M590 WeakPolarHBondContact O-CB 3.44Å; D586-M590 PolarHBondContact O-N 3.47Å; S587-M590 CarbonylContact O-C 3.48Å; S587-M590 WeakPolarHBondContact O-CA 3.31Å; S587-M590 WeakPolarHBondContact O-CB 3.45Å; S587-M590 PolarHBondContact O-N 2.83Å; V588-M590 VanDerWaalsContact C-N 3.34Å; V588-M590 PolarHBondContact O-N 3.45Å; M590-K593 PolarHBondContact O-N 2.88Å; M590-R594 WeakPolarHBondContact O-CB 3.42Å; M590-R594 VanDerWaalsContact O-CG 3.28Å; M590-R594 WeakPolarHBondContact O-CG 3.43Å; M590-R594 PolarHBondContact O-N 2.88Å; M590-R594 PolarHBondContact SD-NH1 3.24Å; M590-R594 VanDerWaalsContact SD-NH1 3.36Å; M590-R594 PolarHBondContact SD-NH2 3.49Å
591	D	91	Very high	89	Confident	37 Å²	37	59.5 Å²	59.5	20%	0.198	29%	0.289	C	S	.	.	H	α-helix	trans	-70.9	-40.1	179.2	-72.3	-50.7	0	0	0	111.5	S587 R594 G595 N596	S587-D591 PolarHBondContact O-N 2.87Å; S587-D591 PolarHBondContact OG-OD2 3.43Å; D591-R594 PolarHBondContact O-N 3.33Å; D591-G595 PolarHBondContact O-N 3.39Å; D591-N596 HydrophobicContact CB-CB 4.11Å; D591-N596 WeakPolarHBondContact O-CB 3.4Å; D591-N596 PolarHBondContact O-N 3.19Å; D591-N596 PolarHBondContact OD1-ND2 3.31Å
592	F	90.7	Very high	89.4	Confident	4 Å²	4	55.4 Å²	55.4	2%	0.018	27%	0.267	C	S	.	.	H	α-helix	trans	-63.1	-44.7	170.4	-170.1	-117.7	0	0	0	111.7	V588 R594 G595 I597 L600 L610 V612 L615	V588-F592 WeakPolarHBondContact O-CB 3.48Å; V588-F592 PolarHBondContact O-N 3.03Å; F592-R594 PolarHBondContact O-N 3.43Å; F592-G595 PolarHBondContact O-N 2.84Å; F592-I597 VanDerWaalsContact CD2-O 3.31Å; F592-I597 WeakPolarHBondContact CD2-O 3.3Å; F592-L600 HydrophobicContact CB-CD2 4.34Å; F592-L600 HydrophobicContact CD1-CB 4.28Å; F592-L600 HydrophobicContact CD1-CD2 3.59Å; F592-L600 HydrophobicContact CD2-CB 3.63Å; F592-L600 HydrophobicContact CD2-CD2 4.31Å; F592-L600 HydrophobicContact CD2-CG 4.49Å; F592-L600 HydrophobicContact CE1-CB 4.13Å; F592-L600 HydrophobicContact CE1-CD2 3.83Å; F592-L600 HydrophobicContact CE2-CB 3.46Å; F592-L600 VanDerWaalsContact CE2-CB 3.46Å; F592-L600 HydrophobicContact CG-CB 4.05Å; F592-L600 HydrophobicContact CG-CD2 3.85Å; F592-L600 HydrophobicContact CG-CG 4.46Å; F592-L600 HydrophobicContact CZ-CB 3.72Å; F592-L600 HydrophobicContact CZ-CD2 4.31Å; F592-L610 HydrophobicContact CD1-CD2 4.38Å; F592-L610 HydrophobicContact CE1-CD2 4.19Å; F592-V612 HydrophobicContact CD1-CG2 3.78Å; F592-V612 HydrophobicContact CE1-CB 4.48Å; F592-V612 HydrophobicContact CE1-CG1 4.34Å; F592-V612 HydrophobicContact CE1-CG2 3.83Å; F592-L615 HydrophobicContact CE1-CD1 4.12Å; F592-L615 HydrophobicContact CZ-CD1 3.73Å
593	K	87.2	Confident	89.9	Confident	103 Å²	103	54.3 Å²	54.3	45%	0.448	26%	0.263	S	S	.	.	H	α-helix	trans	-66.2	-17.4	175.9	-78	-179	-170.7	-140.2	0	114.7	I589 M590 D611 V612	I589-K593 HydrophobicContact CG2-CD 4.04Å; I589-K593 VanDerWaalsContact O-CB 3.25Å; I589-K593 WeakPolarHBondContact O-CB 3.31Å; I589-K593 WeakPolarHBondContact O-CG 3.3Å; I589-K593 PolarHBondContact O-N 3.3Å; M590-K593 PolarHBondContact O-N 2.88Å; K593-D611 WeakPolarHBondContact CE-O 3.33Å; K593-D611 PolarHBondContact NZ-O 3.37Å; K593-V612 HydrophobicContact CG-CG2 3.89Å
594	R	87.7	Confident	89.9	Confident	158 Å²	158	47.1 Å²	47.1	60%	0.596	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-10.3	173.3	-77.8	171.3	173.1	157.5	0.8	113.5	M590 D591 F592 N596	M590-R594 WeakPolarHBondContact O-CB 3.42Å; M590-R594 VanDerWaalsContact O-CG 3.28Å; M590-R594 WeakPolarHBondContact O-CG 3.43Å; M590-R594 PolarHBondContact O-N 2.88Å; M590-R594 PolarHBondContact SD-NH1 3.24Å; M590-R594 VanDerWaalsContact SD-NH1 3.36Å; M590-R594 PolarHBondContact SD-NH2 3.49Å; D591-R594 PolarHBondContact O-N 3.33Å; F592-R594 PolarHBondContact O-N 3.43Å; R594-N596 PolarHBondContact O-N 2.74Å
595	G	85.8	Confident	89.4	Confident	37 Å²	37	46.1 Å²	46.1	38%	0.381	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	12.3	-169.9	0	0	0	0	0	113.9	D591 F592 I597	D591-G595 PolarHBondContact O-N 3.39Å; F592-G595 PolarHBondContact O-N 2.84Å; G595-I597 PolarHBondContact O-N 2.66Å
596	N	88.2	Confident	89.1	Confident	102 Å²	102	45 Å²	45	55%	0.545	23%	0.232	S	C	.	.	S	Bend	trans	-59.8	-34.9	173.8	-71.7	-10	0	0	0	110.7	D591 R594	D591-N596 HydrophobicContact CB-CB 4.11Å; D591-N596 WeakPolarHBondContact O-CB 3.4Å; D591-N596 PolarHBondContact O-N 3.19Å; D591-N596 PolarHBondContact OD1-ND2 3.31Å; R594-N596 PolarHBondContact O-N 2.74Å
597	I	89.8	Confident	88.8	Confident	43 Å²	43	42.7 Å²	42.7	22%	0.221	22%	0.22	C	C	.	.	S	Bend	trans	-132.2	125.8	176.3	-64.8	174.4	0	0	0	106.3	L574 F592 G595 L599	L574-I597 HydrophobicContact CD1-CD1 3.45Å; L574-I597 VanDerWaalsContact CD1-CD1 3.45Å; L574-I597 HydrophobicContact CD2-CD1 4.42Å; L574-I597 HydrophobicContact CG-CD1 3.73Å; F592-I597 VanDerWaalsContact CD2-O 3.31Å; F592-I597 WeakPolarHBondContact CD2-O 3.3Å; G595-I597 PolarHBondContact O-N 2.66Å; I597-L599 WeakPolarHBondContact CG2-O 3.29Å
598	R	91.7	Very high	88.1	Confident	113 Å²	113	41.1 Å²	41.1	43%	0.426	21%	0.205	S	C	.	.			trans	-91.4	-13.6	-174.5	-64.6	-173.3	179.3	-160.6	-2.2	114.1	Q544 E545 S548 V549	Q544-R598 HydrophobicContact CG-CB 4.26Å; Q544-R598 VanDerWaalsContact O-CD 3.24Å; Q544-R598 WeakPolarHBondContact O-CD 3.45Å; Q544-R598 PolarHBondContact O-NH1 2.97Å; E545-R598 VanDerWaalsContact C-NH1 3.26Å; E545-R598 PolarHBondContact O-NH1 3.06Å; S548-R598 CarbonylContact C-O 3.59Å; S548-R598 WeakPolarHBondContact CA-O 3.43Å; V549-R598 PolarHBondContact N-O 2.79Å
599	L	94	Very high	87	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	118.9	-173.4	176.6	55.8	0	0	0	110.5	L540 V549 V551 L566 C573 L574 I597	L540-L599 HydrophobicContact CD1-CD2 3.57Å; L540-L599 HydrophobicContact CD2-CD1 3.69Å; L540-L599 HydrophobicContact CD2-CD2 3.81Å; L540-L599 HydrophobicContact CD2-CG 4.34Å; L540-L599 HydrophobicContact CG-CD2 4.35Å; V549-L599 HydrophobicContact CB-CD1 3.9Å; V549-L599 HydrophobicContact CG1-CD1 3.83Å; V551-L599 HydrophobicContact CG2-CD1 3.8Å; L566-L599 HydrophobicContact CD1-CD2 4.28Å; C573-L599 VanDerWaalsContact CA-O 3.3Å; C573-L599 WeakPolarHBondContact CA-O 3.35Å; C573-L599 HydrophobicContact CB-CB 4.04Å; C573-L599 HydrophobicContact CB-CD2 3.77Å; C573-L599 HydrophobicContact CB-CG 3.62Å; L574-L599 PolarHBondContact N-O 3.44Å; I597-L599 WeakPolarHBondContact CG2-O 3.29Å
600	L	94.4	Very high	86.6	Confident	1 Å²	1	40 Å²	40	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	131.8	178.8	-173.1	67.1	0	0	0	110.2	V549 L550 V551 L574 L576 V588 F592 L610	V549-L600 PolarHBondContact O-N 2.94Å; L550-L600 WeakPolarHBondContact CA-O 3.45Å; L550-L600 HydrophobicContact CD1-CB 4.17Å; L550-L600 HydrophobicContact CD1-CD2 4.1Å; L550-L600 HydrophobicContact CD1-CG 4.19Å; V551-L600 PolarHBondContact N-O 2.91Å; L574-L600 HydrophobicContact CB-CD1 4.22Å; L576-L600 HydrophobicContact CB-CD1 4.09Å; L576-L600 HydrophobicContact CB-CG 4.4Å; L576-L600 HydrophobicContact CD2-CD2 4.24Å; V588-L600 HydrophobicContact CG1-CD1 3.51Å; F592-L600 HydrophobicContact CB-CD2 4.34Å; F592-L600 HydrophobicContact CD1-CB 4.28Å; F592-L600 HydrophobicContact CD1-CD2 3.59Å; F592-L600 HydrophobicContact CD2-CB 3.63Å; F592-L600 HydrophobicContact CD2-CD2 4.31Å; F592-L600 HydrophobicContact CD2-CG 4.49Å; F592-L600 HydrophobicContact CE1-CB 4.13Å; F592-L600 HydrophobicContact CE1-CD2 3.83Å; F592-L600 HydrophobicContact CE2-CB 3.46Å; F592-L600 VanDerWaalsContact CE2-CB 3.46Å; F592-L600 HydrophobicContact CG-CB 4.05Å; F592-L600 HydrophobicContact CG-CD2 3.85Å; F592-L600 HydrophobicContact CG-CG 4.46Å; F592-L600 HydrophobicContact CZ-CB 3.72Å; F592-L600 HydrophobicContact CZ-CD2 4.31Å; L600-L610 HydrophobicContact CD2-CD2 3.78Å
601	I	95.9	Very high	86.1	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	125.1	175	-54.2	162.7	0	0	0	107.1	V551 V553 A559 L562 M563 L566 C573 L574 S575 L576	V551-I601 HydrophobicContact CB-CG1 4.34Å; V551-I601 CarbonylContact O-C 3.54Å; V551-I601 WeakPolarHBondContact O-CA 3.36Å; V553-I601 HydrophobicContact CG1-CG2 4.16Å; V553-I601 HydrophobicContact CG2-CG2 4.25Å; A559-I601 HydrophobicContact CB-CG2 4.07Å; L562-I601 HydrophobicContact CB-CD1 4.32Å; L562-I601 HydrophobicContact CD2-CG2 4.22Å; L562-I601 HydrophobicContact CG-CD1 4.15Å; M563-I601 VanDerWaalsContact CA-CD1 3.45Å; M563-I601 HydrophobicContact CB-CD1 3.83Å; L566-I601 HydrophobicContact CD1-CD1 4.1Å; C573-I601 HydrophobicContact CB-CD1 4.38Å; L574-I601 PolarHBondContact O-N 3.32Å; S575-I601 CarbonylContact C-O 3.58Å; S575-I601 VanDerWaalsContact CA-O 3.28Å; S575-I601 WeakPolarHBondContact CA-O 3.35Å; L576-I601 PolarHBondContact N-O 3.03Å
602	A	94.6	Very high	85.5	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	151.3	-172.4	0	0	0	0	0	113.6	L550 V551 F552 V553 L576 A607	L550-A602 HydrophobicContact CD1-CB 3.88Å; V551-A602 PolarHBondContact O-N 2.94Å; F552-A602 WeakPolarHBondContact CA-O 3.31Å; V553-A602 PolarHBondContact N-O 2.95Å; L576-A602 HydrophobicContact CB-CB 3.99Å; L576-A602 HydrophobicContact CD2-CB 4.41Å; L576-A602 VanDerWaalsContact O-CA 3.28Å; L576-A602 WeakPolarHBondContact O-CA 3.44Å; A602-A607 HydrophobicContact CB-CB 3.64Å
603	T	92.1	Very high	84.7	Confident	13 Å²	13	41 Å²	41	8%	0.08	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	154.1	164.8	61	0	0	0	0	111	V553 L576 H577 V605 A606 A607	V553-T603 HydrophobicContact CG2-CG2 4.25Å; L576-T603 PolarHBondContact O-N 2.92Å; L576-T603 VanDerWaalsContact O-N 3.1Å; H577-T603 HydrophobicContact CB-CG2 3.93Å; T603-V605 PolarHBondContact O-N 3.42Å; T603-V605 VanDerWaalsContact O-N 3.08Å; T603-A606 PolarHBondContact O-N 2.71Å; T603-A606 VanDerWaalsContact O-N 3.09Å; T603-A607 PolarHBondContact O-N 3.33Å
604	S	86.3	Confident	84.3	Confident	19 Å²	19	40.3 Å²	40.3	13%	0.133	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-36.8	178.7	-71.9	0	0	0	0	113.9	R608 D629 R633	S604-R608 WeakPolarHBondContact O-CG 3.32Å; S604-R608 PolarHBondContact O-NE 2.79Å; S604-D629 VanDerWaalsContact CB-OD2 3.3Å; S604-D629 WeakPolarHBondContact CB-OD2 3.42Å; S604-D629 PolarHBondContact OG-OD2 3.36Å; S604-R633 PolarHBondContact OG-NE 2.87Å; S604-R633 PolarHBondContact OG-NH2 3.18Å
605	V	79	Confident	84.4	Confident	81 Å²	81	33.5 Å²	33.5	49%	0.491	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-45.3	-178.9	-178	0	0	0	0	111	L464 T603 A607 R608	L464-V605 HydrophobicContact CD2-CG1 4.42Å; T603-V605 PolarHBondContact O-N 3.42Å; T603-V605 VanDerWaalsContact O-N 3.08Å; V605-A607 PolarHBondContact O-N 3.37Å; V605-R608 PolarHBondContact O-N 2.85Å
606	A	80	Confident	84.6	Confident	4 Å²	4	33.2 Å²	33.2	3%	0.033	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-25.5	-171	0	0	0	0	0	114	L576 R585 T603	L576-A606 HydrophobicContact CD2-CB 4.29Å; L576-A606 WeakPolarHBondContact CD2-O 3.26Å; L576-A606 HydrophobicContact CG-CB 4.09Å; L576-A606 VanDerWaalsContact O-CB 3.25Å; L576-A606 WeakPolarHBondContact O-CB 3.43Å; R585-A606 PolarHBondContact NH2-O 2.72Å; T603-A606 PolarHBondContact O-N 2.71Å; T603-A606 VanDerWaalsContact O-N 3.09Å
607	A	79.5	Confident	84.9	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.008	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	6.2	175	0	0	0	0	0	114.7	F552 A602 T603 V605 L610	F552-A607 HydrophobicContact CE1-CB 3.61Å; F552-A607 HydrophobicContact CZ-CB 3.9Å; A602-A607 HydrophobicContact CB-CB 3.64Å; T603-A607 PolarHBondContact O-N 3.33Å; V605-A607 PolarHBondContact O-N 3.37Å; A607-L610 HydrophobicContact CB-CB 4.35Å; A607-L610 HydrophobicContact CB-CD2 4.17Å; A607-L610 WeakPolarHBondContact O-CB 3.13Å; A607-L610 PolarHBondContact O-N 3.26Å
608	R	76	Confident	85.2	Confident	21 Å²	21	26.3 Å²	26.3	8%	0.079	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	147	161.1	-75.7	164.1	-168.6	-175.3	2.9	109.4	T381 S604 V605 L610 D629	T381-R608 HydrophobicContact CG2-CB 3.99Å; S604-R608 WeakPolarHBondContact O-CG 3.32Å; S604-R608 PolarHBondContact O-NE 2.79Å; V605-R608 PolarHBondContact O-N 2.85Å; R608-L610 PolarHBondContact O-N 2.93Å; R608-D629 IonicContact CZ-OD1 3.61Å; R608-D629 IonicContact NE-OD1 2.9Å; R608-D629 IonicContact NH2-OD1 3.62Å; R608-D629 PolarHBondContact NH2-OD1 3.04Å
609	G	67.5	Low	85.4	Confident	3 Å²	3	20.9 Å²	20.9	3%	0.031	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	-2.9	-167.2	0	0	0	0	0	115.8	D611	G609-D611 PolarHBondContact O-N 2.83Å; G609-D611 VanDerWaalsContact O-N 3.1Å
610	L	79.4	Confident	85.5	Confident	10 Å²	10	20.9 Å²	20.9	5%	0.052	12%	0.12	C	C	.	.			trans	-71.2	108.9	171.8	-172.1	61.9	0	0	0	109.4	L550 I589 F592 L600 A607 R608 V612 R636	L550-L610 HydrophobicContact CD1-CD2 4.24Å; L550-L610 HydrophobicContact CD2-CD2 4.11Å; I589-L610 HydrophobicContact CG2-CD1 4.11Å; F592-L610 HydrophobicContact CD1-CD2 4.38Å; F592-L610 HydrophobicContact CE1-CD2 4.19Å; L600-L610 HydrophobicContact CD2-CD2 3.78Å; A607-L610 HydrophobicContact CB-CB 4.35Å; A607-L610 HydrophobicContact CB-CD2 4.17Å; A607-L610 WeakPolarHBondContact O-CB 3.13Å; A607-L610 PolarHBondContact O-N 3.26Å; R608-L610 PolarHBondContact O-N 2.93Å; L610-V612 HydrophobicContact CD1-CG2 3.82Å; L610-V612 HydrophobicContact CG-CG2 4Å; L610-R636 WeakPolarHBondContact O-CD 3.42Å; L610-R636 PolarHBondContact O-NH1 3.08Å
611	D	76.5	Confident	85.6	Confident	44 Å²	44	22 Å²	22	24%	0.235	12%	0.124	C	C	.	.			trans	-118.2	115.6	174	-170.4	29.4	0	0	0	109.4	Q387 K593 G609 R639	Q387-D611 PolarHBondContact NE2-OD2 3.49Å; Q387-D611 VanDerWaalsContact OE1-CB 3.31Å; K593-D611 WeakPolarHBondContact CE-O 3.33Å; K593-D611 PolarHBondContact NZ-O 3.37Å; G609-D611 PolarHBondContact O-N 2.83Å; G609-D611 VanDerWaalsContact O-N 3.1Å; D611-R639 IonicContact OD1-CZ 3.59Å; D611-R639 IonicContact OD1-NE 2.72Å; D611-R639 IonicContact OD1-NH1 3.6Å; D611-R639 PolarHBondContact OD1-NH1 2.87Å
612	V	78.9	Confident	85.5	Confident	15 Å²	15	22.9 Å²	22.9	9%	0.091	13%	0.129	C	C	.	.			trans	-137.4	121	-174.9	176.1	0	0	0	0	105.4	F592 K593 L610 D614 L615	F592-V612 HydrophobicContact CD1-CG2 3.78Å; F592-V612 HydrophobicContact CE1-CB 4.48Å; F592-V612 HydrophobicContact CE1-CG1 4.34Å; F592-V612 HydrophobicContact CE1-CG2 3.83Å; K593-V612 HydrophobicContact CG-CG2 3.89Å; L610-V612 HydrophobicContact CD1-CG2 3.82Å; L610-V612 HydrophobicContact CG-CG2 4Å; V612-D614 VanDerWaalsContact C-N 3.31Å; V612-D614 PolarHBondContact O-N 3.17Å; V612-L615 HydrophobicContact CB-CB 4.34Å; V612-L615 HydrophobicContact CG1-CB 4.24Å
613	T	73.6	Confident	85.3	Confident	93 Å²	93	23.3 Å²	23.3	57%	0.571	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-32.6	-175.5	48.2	0	0	0	0	112.3	R642	T613-R642 PolarHBondContact O-NH1 3.04Å
614	D	79.1	Confident	85.2	Confident	89 Å²	89	23.1 Å²	23.1	48%	0.476	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106	28.6	-166.6	-57.3	8.3	0	0	0	110.8	S548 V612 R642	S548-D614 VanDerWaalsContact CB-O 3.23Å; S548-D614 WeakPolarHBondContact CB-O 3.28Å; S548-D614 PolarHBondContact N-O 3.16Å; S548-D614 PolarHBondContact OG-O 3.17Å; V612-D614 VanDerWaalsContact C-N 3.31Å; V612-D614 PolarHBondContact O-N 3.17Å; D614-R642 IonicContact OD1-CZ 2.84Å; D614-R642 IonicContact OD1-NH1 2.63Å; D614-R642 PolarHBondContact OD1-NH1 3.44Å; D614-R642 IonicContact OD1-NH2 3.73Å
615	L	89.1	Confident	85.1	Confident	15 Å²	15	27.2 Å²	27.2	8%	0.079	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	112.8	171.5	-168.6	79.2	0	0	0	109.4	S548 L550 F592 V612 V618 R636 T637	S548-L615 WeakPolarHBondContact O-CD1 3.45Å; L550-L615 HydrophobicContact CB-CD1 3.58Å; L550-L615 HydrophobicContact CB-CD2 4.08Å; L550-L615 HydrophobicContact CB-CG 4.43Å; L550-L615 HydrophobicContact CD2-CD2 4.13Å; F592-L615 HydrophobicContact CE1-CD1 4.12Å; F592-L615 HydrophobicContact CZ-CD1 3.73Å; V612-L615 HydrophobicContact CB-CB 4.34Å; V612-L615 HydrophobicContact CG1-CB 4.24Å; L615-V618 HydrophobicContact CD2-CG2 3.84Å; L615-R636 HydrophobicContact CD2-CB 3.59Å; L615-T637 PolarHBondContact O-OG1 3.18Å
616	L	91.9	Very high	85.2	Confident	30 Å²	30	27.8 Å²	27.8	16%	0.157	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	-53	-179	179.3	62.8	0	0	0	110.7	Y543 E546 S548 T637 G644 F645	Y543-L616 HydrophobicContact CD1-CD2 4.07Å; E546-L616 HydrophobicContact CB-CD2 3.47Å; E546-L616 VanDerWaalsContact CB-CD2 3.47Å; E546-L616 WeakPolarHBondContact OE2-CD2 3.46Å; S548-L616 PolarHBondContact O-N 3.23Å; L616-T637 PolarHBondContact O-OG1 2.99Å; L616-G644 WeakPolarHBondContact O-CA 3.43Å; L616-F645 HydrophobicContact CD1-CD2 4.01Å; L616-F645 HydrophobicContact CD1-CE2 4.08Å; L616-F645 HydrophobicContact CG-CD2 4.25Å; L616-F645 PolarHBondContact O-N 3.07Å
617	L	94.2	Very high	85.4	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	133.2	-171.7	175.6	64	0	0	0	111.8	L539 Y543 S548 V549 L550 I619 F645 Y647	L539-L617 HydrophobicContact CB-CD2 4.24Å; Y543-L617 HydrophobicContact CD2-CD1 4.38Å; Y543-L617 HydrophobicContact CD2-CD2 3.68Å; Y543-L617 HydrophobicContact CG-CB 4.47Å; Y543-L617 HydrophobicContact CG-CD2 3.97Å; S548-L617 PolarHBondContact O-N 3.28Å; V549-L617 WeakPolarHBondContact CA-O 3.24Å; V549-L617 HydrophobicContact CG1-CB 4.21Å; V549-L617 HydrophobicContact CG1-CD2 3.78Å; V549-L617 HydrophobicContact CG1-CG 4.01Å; V549-L617 HydrophobicContact CG2-CB 4.19Å; V549-L617 HydrophobicContact CG2-CD2 4.19Å; L550-L617 PolarHBondContact N-O 3.23Å; L617-I619 HydrophobicContact CD1-CG1 4.18Å; L617-I619 HydrophobicContact CD2-CD1 3.93Å; L617-I619 HydrophobicContact CD2-CG1 3.87Å; L617-I619 HydrophobicContact CG-CD1 4.49Å; L617-I619 HydrophobicContact CG-CG1 3.88Å; L617-F645 WeakPolarHBondContact CA-O 3.06Å; L617-F645 HydrophobicContact CD1-CB 3.91Å; L617-Y647 HydrophobicContact CD1-CD2 3.41Å; L617-Y647 VanDerWaalsContact CD1-CD2 3.41Å; L617-Y647 HydrophobicContact CD1-CE2 3.92Å; L617-Y647 HydrophobicContact CD1-CG 4.37Å
618	V	94.8	Very high	85.5	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	129.5	163.1	174.8	0	0	0	0	108.6	L550 F552 L615 R636 T637 F645 A646 Y647	L550-V618 WeakPolarHBondContact O-CA 3.32Å; F552-V618 HydrophobicContact CD2-CG1 3.82Å; F552-V618 HydrophobicContact CE2-CG1 3.98Å; L615-V618 HydrophobicContact CD2-CG2 3.84Å; V618-R636 HydrophobicContact CG2-CB 4.05Å; V618-T637 HydrophobicContact CB-CG2 4.31Å; V618-T637 HydrophobicContact CG2-CG2 3.75Å; V618-F645 PolarHBondContact N-O 3.33Å; V618-A646 CarbonylContact O-C 3.44Å; V618-A646 WeakPolarHBondContact O-CA 3.37Å; V618-Y647 PolarHBondContact O-N 3.41Å
619	I	96.6	Very high	86	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	113.3	170.4	-52	-179	0	0	0	108.2	V536 L539 V549 L550 V551 F552 L617 Y621 Y647 F649	V536-I619 HydrophobicContact CG1-CD1 4.38Å; L539-I619 HydrophobicContact CB-CD1 4.13Å; L539-I619 HydrophobicContact CD1-CD1 4Å; L539-I619 HydrophobicContact CD1-CG1 4.34Å; V549-I619 HydrophobicContact CG1-CD1 4.31Å; V549-I619 HydrophobicContact CG1-CG1 4.46Å; L550-I619 PolarHBondContact O-N 3.03Å; V551-I619 CarbonylContact C-O 3.3Å; V551-I619 WeakPolarHBondContact CA-O 3.42Å; V551-I619 HydrophobicContact CG1-CB 4.3Å; V551-I619 HydrophobicContact CG2-CB 4.3Å; V551-I619 HydrophobicContact CG2-CD1 4.23Å; F552-I619 PolarHBondContact N-O 2.86Å; L617-I619 HydrophobicContact CD1-CG1 4.18Å; L617-I619 HydrophobicContact CD2-CD1 3.93Å; L617-I619 HydrophobicContact CD2-CG1 3.87Å; L617-I619 HydrophobicContact CG-CD1 4.49Å; L617-I619 HydrophobicContact CG-CG1 3.88Å; I619-Y621 PolarHBondContact O-N 3.15Å; I619-Y647 CarbonylContact C-O 3.5Å; I619-Y647 WeakPolarHBondContact CA-O 3.42Å; I619-F649 HydrophobicContact CG2-CD2 4.36Å; I619-F649 HydrophobicContact CG2-CE1 4.44Å; I619-F649 HydrophobicContact CG2-CE2 3.63Å; I619-F649 HydrophobicContact CG2-CZ 3.68Å
620	N	96.6	Very high	87	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	92.9	163.4	-60.8	-52.6	0	0	0	107.7	R633 Y647 T648 F649	N620-R633 WeakPolarHBondContact OD1-CB 3.44Å; N620-R633 WeakPolarHBondContact OD1-CD 3.33Å; N620-R633 PolarHBondContact OD1-NH1 3.5Å; N620-Y647 PolarHBondContact N-O 3.13Å; N620-T648 HydrophobicContact CB-CG2 3.92Å; N620-T648 PolarHBondContact ND2-OG1 3.37Å; N620-F649 PolarHBondContact O-N 3.2Å
621	Y	96.2	Very high	87.4	Confident	23 Å²	23	29 Å²	29	9%	0.09	15%	0.154	C	C	.	.	S	Bend	trans	-66.7	-43.8	177.4	-174.1	-87	0	0	0	110.6	K532 V533 V536 F552 V553 L562 I619 F649	K532-Y621 HydrophobicContact CB-CD2 4.23Å; K532-Y621 HydrophobicContact CB-CE1 4.28Å; K532-Y621 HydrophobicContact CB-CE2 3.55Å; K532-Y621 HydrophobicContact CD-CD1 3.88Å; K532-Y621 HydrophobicContact CD-CD2 4.5Å; K532-Y621 HydrophobicContact CD-CE1 3.48Å; K532-Y621 VanDerWaalsContact CD-CE1 3.48Å; K532-Y621 HydrophobicContact CD-CE2 4.19Å; K532-Y621 HydrophobicContact CD-CG 4.36Å; K532-Y621 WeakPolarHBondContact CD-O 3.29Å; K532-Y621 VanDerWaalsContact CE-O 3.23Å; K532-Y621 WeakPolarHBondContact CE-O 3.45Å; V533-Y621 VanDerWaalsContact CG2-OH 3.27Å; V533-Y621 WeakPolarHBondContact CG2-OH 3.45Å; V536-Y621 HydrophobicContact CG2-CD2 3.57Å; V536-Y621 HydrophobicContact CG2-CE2 3.84Å; F552-Y621 WeakPolarHBondContact O-CB 3.16Å; F552-Y621 PolarHBondContact O-N 3.03Å; V553-Y621 HydrophobicContact CG1-CD1 4.09Å; V553-Y621 HydrophobicContact CG1-CG 4.28Å; L562-Y621 HydrophobicContact CD1-CD2 4.46Å; L562-Y621 HydrophobicContact CD1-CE2 3.91Å; L562-Y621 HydrophobicContact CD2-CD2 3.78Å; L562-Y621 HydrophobicContact CD2-CE2 4.01Å; L562-Y621 HydrophobicContact CD2-CG 4.05Å; I619-Y621 PolarHBondContact O-N 3.15Å; Y621-F649 HydrophobicContact CD2-CD2 4.31Å; Y621-F649 HydrophobicContact CD2-CE2 4.29Å
622	D	93.8	Very high	87.8	Confident	20 Å²	20	27.1 Å²	27.1	11%	0.107	14%	0.143	C	C	.	.	S	Bend	trans	-107.6	128.5	168.6	-57.6	-44.1	0	0	0	109.5	K532 F552 V553 E554 R633	K532-D622 IonicContact NZ-OD1 3.75Å; K532-D622 PolarHBondContact NZ-OD1 2.84Å; F552-D622 PolarHBondContact O-N 3.49Å; V553-D622 VanDerWaalsContact CA-OD2 3.3Å; V553-D622 WeakPolarHBondContact CA-OD2 3.36Å; V553-D622 WeakPolarHBondContact CB-OD2 3.5Å; E554-D622 HydrophobicContact CB-CB 4.06Å; E554-D622 PolarHBondContact N-OD2 3.02Å; D622-R633 PolarHBondContact O-NH1 2.88Å
623	C	91.2	Very high	88.4	Confident	8 Å²	8	26.7 Å²	26.7	5%	0.054	14%	0.14	C	C	.	.			trans	-63.8	126.6	177.9	-168.3	0	0	0	0	110.6	L650	C623-L650 HydrophobicContact CB-CG 4.21Å
624	P	89.2	Confident	89.1	Confident	10 Å²	10	22.2 Å²	22.2	7%	0.065	11%	0.113	C	C	.	.			trans	-69.2	137	-177.8	25.8	-33.1	0	0	0	112.7	H626 D629 Y630	P624-H626 PolarHBondContact O-N 3.43Å; P624-D629 HydrophobicContact CB-CB 4.11Å; P624-Y630 HydrophobicContact CG-CD2 4.11Å; P624-Y630 HydrophobicContact CG-CG 4.4Å
625	N	83.5	Confident	89.5	Confident	104 Å²	104	18.2 Å²	18.2	56%	0.556	9%	0.093	S	C	*	.	S	Bend	trans	-62.8	-12.2	-179	-64.7	-44.4	0	0	0	115.5	E554	E554-N625 PolarHBondContact OE1-ND2 2.9Å
626	H	81.9	Confident	89.4	Confident	94 Å²	94	18 Å²	18	44%	0.435	9%	0.091	S	C	.	.	S	Bend	trans	-134.9	133.5	-175.8	-60.7	-24.8	0	0	0	111.4	P624 E628 D629 Y630	P624-H626 PolarHBondContact O-N 3.43Å; H626-E628 PolarHBondContact O-N 3.31Å; H626-D629 HydrophobicContact CB-CB 4.5Å; H626-D629 PolarHBondContact O-N 2.93Å; H626-Y630 PolarHBondContact O-N 3Å; H626-Y630 VanDerWaalsContact O-N 3.15Å
627	Y	84	Confident	89.2	Confident	8 Å²	8	16.7 Å²	16.7	3%	0.031	8%	0.084	C	C	.	.	H	α-helix	trans	-53.6	-40.3	177.4	-178.1	-117.7	0	0	0	112.6	S514 D629 Y630 V631 D660 R663 A664 Q667	S514-Y627 WeakPolarHBondContact O-CE1 3.29Å; S514-Y627 PolarHBondContact O-OH 2.96Å; Y627-D629 VanDerWaalsContact C-N 3.34Å; Y627-D629 PolarHBondContact O-N 3.38Å; Y627-Y630 WeakPolarHBondContact O-CB 3.36Å; Y627-Y630 PolarHBondContact O-N 2.98Å; Y627-V631 HydrophobicContact CE1-CG2 4.41Å; Y627-V631 HydrophobicContact CE2-CG2 4.47Å; Y627-V631 WeakPolarHBondContact O-CG2 3.23Å; Y627-V631 PolarHBondContact O-N 3Å; Y627-V631 VanDerWaalsContact O-N 3.13Å; Y627-D660 HydrophobicContact CD2-CB 3.97Å; Y627-D660 VanDerWaalsContact CD2-O 3.29Å; Y627-D660 WeakPolarHBondContact CD2-O 3.29Å; Y627-D660 VanDerWaalsContact CE2-O 3.24Å; Y627-D660 WeakPolarHBondContact CE2-O 3.32Å; Y627-D660 HydrophobicContact CG-CB 4.43Å; Y627-R663 HydrophobicContact CE2-CB 4.05Å; Y627-R663 HydrophobicContact CE2-CG 4.17Å; Y627-A664 HydrophobicContact CE2-CB 3.93Å; Y627-Q667 PolarHBondContact OH-OE1 3.13Å
628	E	82.2	Confident	88.7	Confident	30 Å²	30	17.2 Å²	17.2	14%	0.14	9%	0.089	C	C	.	.	H	α-helix	trans	-59.5	-44.2	176.7	-68.3	66.2	-151.1	0	0	110.8	R460 T489 H626 V631 H632	R460-E628 PolarHBondContact NH2-O 3.33Å; T489-E628 HydrophobicContact CG2-CB 3.93Å; T489-E628 HydrophobicContact CG2-CG 3.74Å; H626-E628 PolarHBondContact O-N 3.31Å; E628-V631 PolarHBondContact O-N 2.91Å; E628-H632 PolarHBondContact O-CD2 2.98Å; E628-H632 PolarHBondContact O-N 3.32Å
629	D	85.1	Confident	87.8	Confident	12 Å²	12	18.7 Å²	18.7	6%	0.064	10%	0.095	C	C	.	.	H	α-helix	trans	-68	-40.9	179	-158.5	67.8	0	0	0	112	R460 S604 R608 P624 H626 Y627 V631 H632 R633	R460-D629 IonicContact NH1-OD1 3.19Å; R460-D629 VanDerWaalsContact NH2-CA 3.33Å; S604-D629 VanDerWaalsContact CB-OD2 3.3Å; S604-D629 WeakPolarHBondContact CB-OD2 3.42Å; S604-D629 PolarHBondContact OG-OD2 3.36Å; R608-D629 IonicContact CZ-OD1 3.61Å; R608-D629 IonicContact NE-OD1 2.9Å; R608-D629 IonicContact NH2-OD1 3.62Å; R608-D629 PolarHBondContact NH2-OD1 3.04Å; P624-D629 HydrophobicContact CB-CB 4.11Å; H626-D629 HydrophobicContact CB-CB 4.5Å; H626-D629 PolarHBondContact O-N 2.93Å; Y627-D629 VanDerWaalsContact C-N 3.34Å; Y627-D629 PolarHBondContact O-N 3.38Å; D629-V631 VanDerWaalsContact C-N 3.28Å; D629-V631 PolarHBondContact O-N 3.45Å; D629-H632 PolarHBondContact O-N 3.44Å; D629-R633 WeakPolarHBondContact O-CG 3.33Å; D629-R633 PolarHBondContact O-N 3.46Å; D629-R633 IonicContact OD2-CZ 3.92Å; D629-R633 IonicContact OD2-NE 3.54Å; D629-R633 PolarHBondContact OD2-NE 3.22Å; D629-R633 IonicContact OD2-NH2 2.74Å
630	Y	90.3	Very high	86.5	Confident	4 Å²	4	23.7 Å²	23.7	2%	0.016	14%	0.136	C	C	.	.	H	α-helix	trans	-49.7	-49.5	169.8	-178.8	-85.3	0	0	0	111.7	V516 Q522 P624 H626 Y627 H632 R633 C634 T648 V661 A664	V516-Y630 HydrophobicContact CG2-CD1 4.24Å; V516-Y630 HydrophobicContact CG2-CE1 3.96Å; Q522-Y630 VanDerWaalsContact OE1-CE1 3.24Å; Q522-Y630 PolarHBondContact OE1-OH 3.41Å; P624-Y630 HydrophobicContact CG-CD2 4.11Å; P624-Y630 HydrophobicContact CG-CG 4.4Å; H626-Y630 PolarHBondContact O-N 3Å; H626-Y630 VanDerWaalsContact O-N 3.15Å; Y627-Y630 WeakPolarHBondContact O-CB 3.36Å; Y627-Y630 PolarHBondContact O-N 2.98Å; Y630-H632 VanDerWaalsContact C-N 3.31Å; Y630-H632 PolarHBondContact O-N 2.95Å; Y630-R633 PolarHBondContact O-N 3Å; Y630-C634 WeakPolarHBondContact O-CB 3.46Å; Y630-C634 PolarHBondContact O-N 3.27Å; Y630-C634 PolarHBondContact O-SG 3.47Å; Y630-C634 VanDerWaalsContact O-SG 3.33Å; Y630-T648 HydrophobicContact CE2-CG2 4.12Å; Y630-T648 WeakPolarHBondContact CE2-OG1 3.39Å; Y630-V661 HydrophobicContact CD2-CG2 4.16Å; Y630-V661 HydrophobicContact CE2-CG1 4.09Å; Y630-V661 HydrophobicContact CE2-CG2 3.98Å; Y630-A664 HydrophobicContact CD1-CB 3.82Å; Y630-A664 HydrophobicContact CE1-CB 3.29Å
631	V	87.5	Confident	85.3	Confident	10 Å²	10	26.9 Å²	26.9	6%	0.061	17%	0.169	C	C	.	.	H	α-helix	trans	-62.6	-35.9	179.5	175.9	0	0	0	0	112.1	S514 V516 Y627 E628 D629 G635	S514-V631 VanDerWaalsContact O-CG2 3.29Å; S514-V631 WeakPolarHBondContact O-CG2 3.24Å; V516-V631 HydrophobicContact CG2-CB 4.45Å; V516-V631 HydrophobicContact CG2-CG1 4.48Å; V516-V631 HydrophobicContact CG2-CG2 4.02Å; Y627-V631 HydrophobicContact CE1-CG2 4.41Å; Y627-V631 HydrophobicContact CE2-CG2 4.47Å; Y627-V631 WeakPolarHBondContact O-CG2 3.23Å; Y627-V631 PolarHBondContact O-N 3Å; Y627-V631 VanDerWaalsContact O-N 3.13Å; E628-V631 PolarHBondContact O-N 2.91Å; D629-V631 VanDerWaalsContact C-N 3.28Å; D629-V631 PolarHBondContact O-N 3.45Å; V631-G635 WeakPolarHBondContact O-CA 3.32Å; V631-G635 PolarHBondContact O-N 3.24Å
632	H	84.9	Confident	84.6	Confident	4 Å²	4	32.1 Å²	32.1	2%	0.019	19%	0.189	C	C	.	.	H	α-helix	trans	-80.6	-25.3	179.8	-74.3	-141.9	0	0	0	113.8	D459 R460 E628 D629 Y630 R636	D459-H632 IonicContact OD1-CE1 2.67Å; D459-H632 IonicContact OD2-CE1 3.45Å; D459-H632 IonicContact OD2-NE2 2.6Å; R460-H632 PolarHBondContact NE-CE1 3.25Å; R460-H632 PolarHBondContact NE-ND1 3.1Å; R460-H632 PolarHBondContact NH2-CD2 2.78Å; R460-H632 PolarHBondContact NH2-CE1 2.84Å; R460-H632 PolarHBondContact NH2-ND1 3.48Å; R460-H632 PolarHBondContact NH2-NE2 2.88Å; E628-H632 PolarHBondContact O-CD2 2.98Å; E628-H632 PolarHBondContact O-N 3.32Å; D629-H632 PolarHBondContact O-N 3.44Å; Y630-H632 VanDerWaalsContact C-N 3.31Å; Y630-H632 PolarHBondContact O-N 2.95Å; H632-R636 PolarHBondContact O-NE 3.16Å
633	R	90.3	Very high	84.3	Confident	6 Å²	6	38.9 Å²	38.9	2%	0.023	22%	0.217	C	C	.	.	H	α-helix	trans	-73.3	-55.4	171	-68.3	-173.3	-176.1	-170.7	-1.8	110.7	F552 S604 N620 D622 D629 Y630 G635 R636	F552-R633 HydrophobicContact CD1-CG 3.88Å; F552-R633 HydrophobicContact CD2-CB 3.87Å; F552-R633 HydrophobicContact CD2-CG 3.85Å; F552-R633 HydrophobicContact CE1-CG 3.85Å; F552-R633 HydrophobicContact CE2-CB 3.71Å; F552-R633 HydrophobicContact CE2-CG 3.83Å; F552-R633 HydrophobicContact CG-CB 4.39Å; F552-R633 HydrophobicContact CG-CG 3.87Å; F552-R633 HydrophobicContact CZ-CB 4.11Å; F552-R633 HydrophobicContact CZ-CG 3.82Å; S604-R633 PolarHBondContact OG-NE 2.87Å; S604-R633 PolarHBondContact OG-NH2 3.18Å; N620-R633 WeakPolarHBondContact OD1-CB 3.44Å; N620-R633 WeakPolarHBondContact OD1-CD 3.33Å; N620-R633 PolarHBondContact OD1-NH1 3.5Å; D622-R633 PolarHBondContact O-NH1 2.88Å; D629-R633 WeakPolarHBondContact O-CG 3.33Å; D629-R633 PolarHBondContact O-N 3.46Å; D629-R633 IonicContact OD2-CZ 3.92Å; D629-R633 IonicContact OD2-NE 3.54Å; D629-R633 PolarHBondContact OD2-NE 3.22Å; D629-R633 IonicContact OD2-NH2 2.74Å; Y630-R633 PolarHBondContact O-N 3Å; R633-G635 VanDerWaalsContact C-N 3.26Å; R633-G635 PolarHBondContact O-N 3.11Å; R633-R636 VanDerWaalsContact O-CB 3.27Å; R633-R636 WeakPolarHBondContact O-CB 3.5Å; R633-R636 VanDerWaalsContact O-CG 3.31Å; R633-R636 WeakPolarHBondContact O-CG 3.41Å; R633-R636 PolarHBondContact O-N 3.4Å
634	C	89.7	Confident	84.3	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.8	-38.9	176.7	-61.3	0	0	0	0	111.1	V516 Y630 R636 T637 A646	V516-C634 HydrophobicContact CG1-CB 3.97Å; V516-C634 HydrophobicContact CG2-CB 4.36Å; Y630-C634 WeakPolarHBondContact O-CB 3.46Å; Y630-C634 PolarHBondContact O-N 3.27Å; Y630-C634 PolarHBondContact O-SG 3.47Å; Y630-C634 VanDerWaalsContact O-SG 3.33Å; C634-R636 PolarHBondContact O-N 3.42Å; C634-T637 WeakPolarHBondContact O-CG2 3.32Å; C634-T637 PolarHBondContact O-N 3.34Å; C634-A646 HydrophobicContact CB-CB 4.03Å
635	G	86.1	Confident	84.6	Confident	5 Å²	5	39.9 Å²	39.9	5%	0.052	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	14	171.9	0	0	0	0	0	116	T345 V631 R633 R639	T345-G635 PolarHBondContact OG1-O 3.13Å; V631-G635 WeakPolarHBondContact O-CA 3.32Å; V631-G635 PolarHBondContact O-N 3.24Å; R633-G635 VanDerWaalsContact C-N 3.26Å; R633-G635 PolarHBondContact O-N 3.11Å; G635-R639 PolarHBondContact O-NH2 3.48Å
636	R	87.2	Confident	85.1	Confident	9 Å²	9	34.9 Å²	34.9	3%	0.034	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-40.1	161.9	-64.7	-63	120.9	-178.8	4.5	111.3	E457 L550 F552 L610 L615 V618 H632 R633 C634 R639	E457-R636 IonicContact OE1-NH2 2.69Å; L550-R636 HydrophobicContact CD2-CB 4.16Å; L550-R636 HydrophobicContact CD2-CG 3.98Å; F552-R636 HydrophobicContact CE2-CG 4.03Å; F552-R636 HydrophobicContact CZ-CG 3.88Å; L610-R636 WeakPolarHBondContact O-CD 3.42Å; L610-R636 PolarHBondContact O-NH1 3.08Å; L615-R636 HydrophobicContact CD2-CB 3.59Å; V618-R636 HydrophobicContact CG2-CB 4.05Å; H632-R636 PolarHBondContact O-NE 3.16Å; R633-R636 VanDerWaalsContact O-CB 3.27Å; R633-R636 WeakPolarHBondContact O-CB 3.5Å; R633-R636 VanDerWaalsContact O-CG 3.31Å; R633-R636 WeakPolarHBondContact O-CG 3.41Å; R633-R636 PolarHBondContact O-N 3.4Å; C634-R636 PolarHBondContact O-N 3.42Å; R636-R639 WeakPolarHBondContact O-CD 3.44Å; R636-R639 PolarHBondContact O-NE 3.47Å
637	T	88.9	Confident	85.8	Confident	4 Å²	4	31.6 Å²	31.6	3%	0.025	18%	0.177	C	C	.	.	S	Bend	trans	-89	-178.4	171.6	-172.1	0	0	0	0	111	V520 L615 L616 V618 C634 G644	V520-T637 HydrophobicContact CG1-CG2 3.94Å; V520-T637 HydrophobicContact CG2-CG2 4.11Å; L615-T637 PolarHBondContact O-OG1 3.18Å; L616-T637 PolarHBondContact O-OG1 2.99Å; V618-T637 HydrophobicContact CB-CG2 4.31Å; V618-T637 HydrophobicContact CG2-CG2 3.75Å; C634-T637 WeakPolarHBondContact O-CG2 3.32Å; C634-T637 PolarHBondContact O-N 3.34Å; T637-G644 WeakPolarHBondContact OG1-CA 3.36Å
638	G	82.2	Confident	86.4	Confident	10 Å²	10	31.2 Å²	31.2	10%	0.103	18%	0.176	C	C	.	.	S	Bend	trans	69	36.1	179.3	0	0	0	0	0	114.2	R642	G638-R642 CarbonylContact C-O 3.48Å; G638-R642 WeakPolarHBondContact CA-O 3.35Å
639	R	77	Confident	87.1	Confident	32 Å²	32	29.8 Å²	29.8	12%	0.121	17%	0.169	C	C	.	.			trans	-95.3	147.1	-174.1	-65.5	-171.6	177.8	-130.7	-12.8	112.3	D611 G635 R636 G641 R642	D611-R639 IonicContact OD1-CZ 3.59Å; D611-R639 IonicContact OD1-NE 2.72Å; D611-R639 IonicContact OD1-NH1 3.6Å; D611-R639 PolarHBondContact OD1-NH1 2.87Å; G635-R639 PolarHBondContact O-NH2 3.48Å; R636-R639 WeakPolarHBondContact O-CD 3.44Å; R636-R639 PolarHBondContact O-NE 3.47Å; R639-G641 PolarHBondContact O-N 2.99Å; R639-G641 VanDerWaalsContact O-N 3.15Å; R639-R642 WeakPolarHBondContact O-CB 3.26Å; R639-R642 PolarHBondContact O-N 2.85Å
640	A	69	Low	87.5	Confident	105 Å²	105	29.2 Å²	29.2	87%	0.868	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	35.3	174.6	0	0	0	0	0	115	R642	A640-R642 VanDerWaalsContact C-N 3.26Å; A640-R642 PolarHBondContact O-N 3.28Å
641	G	71.2	Confident	87.6	Confident	67 Å²	67	29.2 Å²	29.2	69%	0.691	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	78	2	179.7	0	0	0	0	0	115	R639	R639-G641 PolarHBondContact O-N 2.99Å; R639-G641 VanDerWaalsContact O-N 3.15Å
642	R	82	Confident	87.8	Confident	133 Å²	133	32.4 Å²	32.4	50%	0.502	19%	0.188	S	C	.	.			trans	-73.5	142.3	165.6	-64.7	175.5	170.3	173.8	-9.4	109.3	T613 D614 G638 R639 A640	T613-R642 PolarHBondContact O-NH1 3.04Å; D614-R642 IonicContact OD1-CZ 2.84Å; D614-R642 IonicContact OD1-NH1 2.63Å; D614-R642 PolarHBondContact OD1-NH1 3.44Å; D614-R642 IonicContact OD1-NH2 3.73Å; G638-R642 CarbonylContact C-O 3.48Å; G638-R642 WeakPolarHBondContact CA-O 3.35Å; R639-R642 WeakPolarHBondContact O-CB 3.26Å; R639-R642 PolarHBondContact O-N 2.85Å; A640-R642 VanDerWaalsContact C-N 3.26Å; A640-R642 PolarHBondContact O-N 3.28Å
643	K	87.6	Confident	88	Confident	161 Å²	161	38.1 Å²	38.1	70%	0.7	22%	0.218	S	C	*	.			trans	-68.6	154.5	169	-70.2	-169.3	174.2	-168.5	0	110.8	D519	D519-K643 CarbonylContact O-C 3.52Å; D519-K643 WeakPolarHBondContact O-CA 3.5Å
644	G	91.2	Very high	87.8	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	159.6	175.8	0	0	0	0	0	112.2	D519 V520 E521 L616 T637	D519-G644 PolarHBondContact O-N 3.35Å; V520-G644 CarbonylContact C-O 3.51Å; V520-G644 WeakPolarHBondContact CA-O 3.5Å; E521-G644 PolarHBondContact N-O 3.4Å; L616-G644 WeakPolarHBondContact O-CA 3.43Å; T637-G644 WeakPolarHBondContact OG1-CA 3.36Å
645	F	94.5	Very high	87.7	Confident	38 Å²	38	41.1 Å²	41.1	17%	0.167	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	134.7	176.1	-61	-82.1	0	0	0	110.5	E521 H523 Y543 L616 L617 V618 Y647	E521-F645 HydrophobicContact CB-CD1 3.95Å; E521-F645 HydrophobicContact CB-CE1 4.2Å; E521-F645 CarbonylContact O-C 3.6Å; E521-F645 WeakPolarHBondContact O-CA 3.39Å; H523-F645 AromaticContact NE2-CD1 3.97Å; Y543-F645 HydrophobicContact CD1-CD2 4.12Å; Y543-F645 HydrophobicContact CD1-CE2 4.4Å; Y543-F645 HydrophobicContact CE1-CD1 4.4Å; Y543-F645 AromaticContact CE1-CD2 3.44Å; Y543-F645 HydrophobicContact CE1-CD2 3.44Å; Y543-F645 VanDerWaalsContact CE1-CD2 3.44Å; Y543-F645 AromaticContact CE1-CE2 3.6Å; Y543-F645 HydrophobicContact CE1-CE2 3.6Å; Y543-F645 AromaticContact CE1-CG 3.88Å; Y543-F645 HydrophobicContact CE1-CG 3.88Å; Y543-F645 HydrophobicContact CE1-CZ 4.16Å; Y543-F645 AromaticContact CZ-CG 3.99Å; L616-F645 HydrophobicContact CD1-CD2 4.01Å; L616-F645 HydrophobicContact CD1-CE2 4.08Å; L616-F645 HydrophobicContact CG-CD2 4.25Å; L616-F645 PolarHBondContact O-N 3.07Å; L617-F645 WeakPolarHBondContact CA-O 3.06Å; L617-F645 HydrophobicContact CD1-CB 3.91Å; V618-F645 PolarHBondContact N-O 3.33Å; F645-Y647 HydrophobicContact CB-CD2 4.3Å; F645-Y647 HydrophobicContact CB-CE2 4.01Å
646	A	95.4	Very high	87.7	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	99.6	178.3	0	0	0	0	0	110.6	V520 E521 Q522 H523 V618 C634	V520-A646 HydrophobicContact CG1-CB 3.48Å; V520-A646 VanDerWaalsContact CG1-CB 3.48Å; E521-A646 PolarHBondContact O-N 3.48Å; Q522-A646 WeakPolarHBondContact CA-O 3.48Å; Q522-A646 HydrophobicContact CG-CB 4.23Å; H523-A646 PolarHBondContact N-O 2.65Å; V618-A646 CarbonylContact O-C 3.44Å; V618-A646 WeakPolarHBondContact O-CA 3.37Å; C634-A646 HydrophobicContact CB-CB 4.03Å
647	Y	96.2	Very high	87.7	Confident	24 Å²	24	49.9 Å²	49.9	9%	0.094	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	137.6	176.2	-75.9	-106.8	0	0	0	109.6	H523 F525 L539 Y543 L617 V618 I619 N620 F645	H523-Y647 HydrophobicContact CB-CD1 3.75Å; H523-Y647 HydrophobicContact CB-CE1 3.8Å; H523-Y647 HydrophobicContact CB-CG 4.18Å; H523-Y647 AromaticContact CD2-CD2 3.78Å; H523-Y647 AromaticContact CD2-CE1 3.75Å; H523-Y647 AromaticContact CD2-CE2 3.36Å; H523-Y647 WeakPolarHBondContact CD2-CE2 3.38Å; H523-Y647 AromaticContact CD2-CZ 3.33Å; H523-Y647 AromaticContact CG-CE1 3.8Å; H523-Y647 AromaticContact CG-CZ 3.84Å; H523-Y647 AromaticContact NE2-CE2 3.97Å; H523-Y647 AromaticContact NE2-CZ 3.87Å; H523-Y647 CarbonylContact O-C 3.6Å; H523-Y647 WeakPolarHBondContact O-CA 3.34Å; F525-Y647 HydrophobicContact CD2-CD1 4.26Å; F525-Y647 AromaticContact CE2-CD1 3.67Å; F525-Y647 HydrophobicContact CE2-CD1 3.67Å; F525-Y647 AromaticContact CE2-CE1 3.8Å; F525-Y647 HydrophobicContact CE2-CE1 3.8Å; F525-Y647 HydrophobicContact CZ-CE1 4.45Å; L539-Y647 HydrophobicContact CD1-CD1 3.58Å; L539-Y647 HydrophobicContact CD1-CD2 4.34Å; L539-Y647 HydrophobicContact CD1-CE1 4.18Å; L539-Y647 HydrophobicContact CD1-CG 3.68Å; L539-Y647 HydrophobicContact CD2-CD1 3.68Å; L539-Y647 HydrophobicContact CD2-CD2 4.33Å; L539-Y647 HydrophobicContact CD2-CE1 3.35Å; L539-Y647 HydrophobicContact CD2-CE2 4.02Å; L539-Y647 HydrophobicContact CD2-CG 4.17Å; L539-Y647 HydrophobicContact CG-CD1 4.29Å; L539-Y647 HydrophobicContact CG-CE1 4.41Å; Y543-Y647 AromaticContact CE2-CE2 3.74Å; Y543-Y647 HydrophobicContact CE2-CE2 3.74Å; Y543-Y647 AromaticContact CE2-CZ 3.99Å; Y543-Y647 AromaticContact CZ-CE2 3.98Å; Y543-Y647 PolarHBondContact OH-OH 2.96Å; L617-Y647 HydrophobicContact CD1-CD2 3.41Å; L617-Y647 VanDerWaalsContact CD1-CD2 3.41Å; L617-Y647 HydrophobicContact CD1-CE2 3.92Å; L617-Y647 HydrophobicContact CD1-CG 4.37Å; V618-Y647 PolarHBondContact O-N 3.41Å; I619-Y647 CarbonylContact C-O 3.5Å; I619-Y647 WeakPolarHBondContact CA-O 3.42Å; N620-Y647 PolarHBondContact N-O 3.13Å; F645-Y647 HydrophobicContact CB-CD2 4.3Å; F645-Y647 HydrophobicContact CB-CE2 4.01Å
648	T	96.3	Very high	87.8	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	127.5	178.8	-56.4	0	0	0	0	110.8	H523 A524 F525 N620 Y630 L650	H523-T648 PolarHBondContact O-N 3.31Å; A524-T648 VanDerWaalsContact CA-O 3.3Å; A524-T648 WeakPolarHBondContact CA-O 3.48Å; F525-T648 PolarHBondContact N-O 3.03Å; N620-T648 HydrophobicContact CB-CG2 3.92Å; N620-T648 PolarHBondContact ND2-OG1 3.37Å; Y630-T648 HydrophobicContact CE2-CG2 4.12Å; Y630-T648 WeakPolarHBondContact CE2-OG1 3.39Å; T648-L650 HydrophobicContact CG2-CD1 3.91Å
649	F	96.1	Very high	88.1	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	135.8	173.1	-48.8	-30.1	0	0	0	109.3	F525 L527 K532 K535 V536 L539 I619 N620 Y621	F525-F649 HydrophobicContact CB-CD1 4.41Å; L527-F649 HydrophobicContact CD1-CB 4.19Å; L527-F649 HydrophobicContact CD1-CD1 3.62Å; L527-F649 HydrophobicContact CD1-CD2 4.31Å; L527-F649 HydrophobicContact CD1-CE1 4.07Å; L527-F649 HydrophobicContact CD1-CG 3.78Å; K532-F649 HydrophobicContact CB-CD2 4.05Å; K532-F649 HydrophobicContact CG-CB 4.17Å; K532-F649 HydrophobicContact CG-CD2 4Å; K532-F649 HydrophobicContact CG-CG 4.44Å; K535-F649 HydrophobicContact CB-CE1 4.08Å; K535-F649 HydrophobicContact CB-CE2 4.29Å; K535-F649 HydrophobicContact CB-CZ 3.76Å; K535-F649 HydrophobicContact CG-CD1 4.45Å; K535-F649 HydrophobicContact CG-CE1 3.56Å; K535-F649 HydrophobicContact CG-CZ 3.65Å; V536-F649 HydrophobicContact CG2-CE2 3.86Å; V536-F649 HydrophobicContact CG2-CZ 4.48Å; L539-F649 HydrophobicContact CD1-CE1 4.23Å; L539-F649 HydrophobicContact CD1-CZ 3.93Å; I619-F649 HydrophobicContact CG2-CD2 4.36Å; I619-F649 HydrophobicContact CG2-CE1 4.44Å; I619-F649 HydrophobicContact CG2-CE2 3.63Å; I619-F649 HydrophobicContact CG2-CZ 3.68Å; N620-F649 PolarHBondContact O-N 3.2Å; Y621-F649 HydrophobicContact CD2-CD2 4.31Å; Y621-F649 HydrophobicContact CD2-CE2 4.29Å
650	L	94.5	Very high	88.7	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	138.9	171.5	-64	89.3	0	0	0	107.9	A524 F525 I526 L527 C623 T648 A658 V661 L676	A524-L650 HydrophobicContact CB-CD1 4.25Å; F525-L650 PolarHBondContact O-N 3.39Å; I526-L650 CarbonylContact C-O 3.55Å; I526-L650 VanDerWaalsContact CA-O 3.29Å; I526-L650 WeakPolarHBondContact CA-O 3.45Å; L527-L650 PolarHBondContact N-O 2.74Å; C623-L650 HydrophobicContact CB-CG 4.21Å; T648-L650 HydrophobicContact CG2-CD1 3.91Å; L650-A658 HydrophobicContact CD2-CB 3.87Å; L650-V661 HydrophobicContact CD2-CG2 4.28Å; L650-L676 HydrophobicContact CD1-CD1 3.9Å; L650-L676 HydrophobicContact CD2-CD1 3.81Å; L650-L676 HydrophobicContact CG-CD1 4.48Å
651	T	92.7	Very high	89.7	Confident	4 Å²	4	44.1 Å²	44.1	3%	0.025	22%	0.224	C	C	.	.			trans	-84.5	159	170.3	54.8	0	0	0	0	111.1	L527 E529 D653 Q654	L527-T651 WeakPolarHBondContact O-CA 3.2Å; E529-T651 HydrophobicContact CG-CG2 4.39Å; E529-T651 WeakPolarHBondContact OE1-CG2 3.24Å; T651-D653 WeakPolarHBondContact CB-OD1 3.5Å; T651-D653 PolarHBondContact O-N 2.98Å; T651-D653 VanDerWaalsContact O-N 3.09Å; T651-D653 VanDerWaalsContact OG1-CG 3.31Å; T651-D653 PolarHBondContact OG1-OD1 3.18Å; T651-D653 PolarHBondContact OG1-OD2 3Å; T651-Q654 PolarHBondContact O-N 2.86Å; T651-Q654 VanDerWaalsContact OG1-CG 3.24Å; T651-Q654 WeakPolarHBondContact OG1-CG 3.27Å; T651-Q654 PolarHBondContact OG1-NE2 3.21Å
652	P	90.1	Very high	90.7	Very high	78 Å²	78	41.1 Å²	41.1	51%	0.506	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-24.3	-178.4	-29.1	37.3	0	0	0	115.6	I526 E655	I526-P652 HydrophobicContact CG2-CG 4.26Å; P652-E655 WeakPolarHBondContact O-CG 3.15Å
653	D	88.8	Confident	91	Very high	123 Å²	123	37.4 Å²	37.4	66%	0.658	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-19.4	175.5	59.5	-71.7	0	0	0	114.1	T651 E655	T651-D653 WeakPolarHBondContact CB-OD1 3.5Å; T651-D653 PolarHBondContact O-N 2.98Å; T651-D653 VanDerWaalsContact O-N 3.09Å; T651-D653 VanDerWaalsContact OG1-CG 3.31Å; T651-D653 PolarHBondContact OG1-OD1 3.18Å; T651-D653 PolarHBondContact OG1-OD2 3Å; D653-E655 PolarHBondContact O-N 3.11Å
654	Q	87.3	Confident	91	Very high	40 Å²	40	29.7 Å²	29.7	19%	0.187	14%	0.144	C	C	.	.			trans	-81	28.7	-175.2	-71.1	174.2	3.1	0	0	113.9	T651 R656 S657 A658	T651-Q654 PolarHBondContact O-N 2.86Å; T651-Q654 VanDerWaalsContact OG1-CG 3.24Å; T651-Q654 WeakPolarHBondContact OG1-CG 3.27Å; T651-Q654 PolarHBondContact OG1-NE2 3.21Å; Q654-R656 PolarHBondContact O-N 3.02Å; Q654-R656 VanDerWaalsContact O-N 3.1Å; Q654-S657 WeakPolarHBondContact O-CB 3.3Å; Q654-S657 PolarHBondContact O-N 2.85Å; Q654-A658 PolarHBondContact O-N 3.05Å
655	E	87.9	Confident	91	Very high	30 Å²	30	29.9 Å²	29.9	14%	0.14	15%	0.145	C	C	.	.	H	α-helix	trans	-57.8	-30.3	-175.2	-48.6	179.2	121.7	0	0	113.5	P652 D653 A658 M679 Y683 R686	P652-E655 WeakPolarHBondContact O-CG 3.15Å; D653-E655 PolarHBondContact O-N 3.11Å; E655-A658 WeakPolarHBondContact O-CB 3.44Å; E655-A658 PolarHBondContact O-N 3.2Å; E655-M679 HydrophobicContact CB-CG 4.02Å; E655-M679 HydrophobicContact CG-CE 4.42Å; E655-M679 HydrophobicContact CG-CG 3.94Å; E655-M679 HydrophobicContact CG-SD 4.47Å; E655-Y683 HydrophobicContact CB-CD2 3.77Å; E655-Y683 HydrophobicContact CB-CG 3.94Å; E655-Y683 WeakPolarHBondContact OE2-CD2 3.44Å; E655-R686 IonicContact OE1-CZ 3.96Å; E655-R686 IonicContact OE1-NH1 2.81Å; E655-R686 IonicContact OE1-NH2 2.69Å; E655-R686 PolarHBondContact OE1-NH2 3.11Å; E655-R686 IonicContact OE2-CZ 2.61Å; E655-R686 IonicContact OE2-NH1 3.38Å; E655-R686 PolarHBondContact OE2-NH1 2.89Å; E655-R686 IonicContact OE2-NH2 3.49Å; E655-R686 PolarHBondContact OE2-NH2 3.46Å
656	R	86.6	Confident	90.7	Very high	172 Å²	172	33.6 Å²	33.6	65%	0.649	16%	0.161	S	C	*	.	H	α-helix	trans	-64.7	-42.1	174.2	178.8	179.5	169.9	-165.6	-6.1	111.7	Q654 A658 G659 Y683	Q654-R656 PolarHBondContact O-N 3.02Å; Q654-R656 VanDerWaalsContact O-N 3.1Å; R656-A658 VanDerWaalsContact C-N 3.32Å; R656-G659 PolarHBondContact O-N 3.23Å; R656-Y683 HydrophobicContact CB-CE2 4.43Å
657	S	86.8	Confident	90.2	Very high	25 Å²	25	37.6 Å²	37.6	18%	0.175	18%	0.179	C	C	.	.	H	α-helix	trans	-71	-30.4	-179.4	-55.2	0	0	0	0	111.6	Q654 G659 D660 V661	Q654-S657 WeakPolarHBondContact O-CB 3.3Å; Q654-S657 PolarHBondContact O-N 2.85Å; S657-G659 PolarHBondContact O-N 3.44Å; S657-G659 VanDerWaalsContact O-N 3.16Å; S657-D660 PolarHBondContact O-N 2.66Å; S657-V661 PolarHBondContact O-N 3.15Å; S657-V661 VanDerWaalsContact O-N 3.08Å
658	A	90.4	Very high	89.6	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-54.1	-34	173.1	0	0	0	0	0	112.8	L650 Q654 E655 R656 D660 V661 V662 L676 M679 W680	L650-A658 HydrophobicContact CD2-CB 3.87Å; Q654-A658 PolarHBondContact O-N 3.05Å; E655-A658 WeakPolarHBondContact O-CB 3.44Å; E655-A658 PolarHBondContact O-N 3.2Å; R656-A658 VanDerWaalsContact C-N 3.32Å; A658-D660 VanDerWaalsContact C-N 3.32Å; A658-D660 PolarHBondContact O-N 3.09Å; A658-V661 PolarHBondContact O-N 3.18Å; A658-V662 WeakPolarHBondContact O-CB 3.29Å; A658-V662 VanDerWaalsContact O-CG2 3.23Å; A658-V662 WeakPolarHBondContact O-CG2 3.36Å; A658-V662 PolarHBondContact O-N 3.21Å; A658-L676 HydrophobicContact CB-CD1 3.73Å; A658-L676 HydrophobicContact CB-CG 4.48Å; A658-M679 HydrophobicContact CB-CG 4.22Å; A658-M679 HydrophobicContact CB-SD 3.73Å; A658-W680 HydrophobicContact CB-CB 4.47Å
659	G	88.8	Confident	89	Confident	5 Å²	5	40.7 Å²	40.7	5%	0.052	22%	0.216	C	C	.	.	H	α-helix	trans	-66	-28.7	176.5	0	0	0	0	0	115.3	R656 S657 R663 W680	R656-G659 PolarHBondContact O-N 3.23Å; S657-G659 PolarHBondContact O-N 3.44Å; S657-G659 VanDerWaalsContact O-N 3.16Å; G659-R663 PolarHBondContact O-N 2.99Å; G659-W680 VanDerWaalsContact CA-CD2 3.44Å; G659-W680 VanDerWaalsContact CA-CZ3 3.42Å
660	D	88.4	Confident	88.6	Confident	23 Å²	23	42.8 Å²	42.8	12%	0.123	23%	0.226	C	C	.	.	H	α-helix	trans	-85.4	-34.1	175.9	-76	-10	0	0	0	110.6	Y627 S657 A658 R663 A664 S697	Y627-D660 HydrophobicContact CD2-CB 3.97Å; Y627-D660 VanDerWaalsContact CD2-O 3.29Å; Y627-D660 WeakPolarHBondContact CD2-O 3.29Å; Y627-D660 VanDerWaalsContact CE2-O 3.24Å; Y627-D660 WeakPolarHBondContact CE2-O 3.32Å; Y627-D660 HydrophobicContact CG-CB 4.43Å; S657-D660 PolarHBondContact O-N 2.66Å; A658-D660 VanDerWaalsContact C-N 3.32Å; A658-D660 PolarHBondContact O-N 3.09Å; D660-R663 WeakPolarHBondContact O-CB 3.17Å; D660-R663 PolarHBondContact O-N 2.74Å; D660-R663 IonicContact OD1-CZ 3.55Å; D660-R663 IonicContact OD1-NH1 3.51Å; D660-R663 PolarHBondContact OD1-NH1 3.49Å; D660-R663 IonicContact OD1-NH2 2.73Å; D660-R663 PolarHBondContact OD1-NH2 3.3Å; D660-A664 PolarHBondContact O-N 3.35Å; D660-A664 VanDerWaalsContact O-N 3.12Å; D660-S697 WeakPolarHBondContact OD1-CB 3.45Å; D660-S697 VanDerWaalsContact OD2-CB 3.24Å; D660-S697 WeakPolarHBondContact OD2-CB 3.42Å; D660-S697 PolarHBondContact OD2-OG 3.24Å
661	V	91.3	Very high	88.4	Confident	3 Å²	3	50 Å²	50	2%	0.018	26%	0.257	C	S	.	.	H	α-helix	trans	-65.5	-47.5	169.9	-177.2	0	0	0	0	111.4	A524 Y630 L650 S657 A658 R663 A664 F665 L676	A524-V661 HydrophobicContact CB-CG1 4.16Å; Y630-V661 HydrophobicContact CD2-CG2 4.16Å; Y630-V661 HydrophobicContact CE2-CG1 4.09Å; Y630-V661 HydrophobicContact CE2-CG2 3.98Å; L650-V661 HydrophobicContact CD2-CG2 4.28Å; S657-V661 PolarHBondContact O-N 3.15Å; S657-V661 VanDerWaalsContact O-N 3.08Å; A658-V661 PolarHBondContact O-N 3.18Å; V661-R663 PolarHBondContact O-N 3.37Å; V661-R663 VanDerWaalsContact O-N 3.16Å; V661-A664 WeakPolarHBondContact O-CB 3.22Å; V661-A664 PolarHBondContact O-N 3.49Å; V661-F665 HydrophobicContact CG1-CD2 4.03Å; V661-F665 HydrophobicContact CG1-CE2 3.82Å; V661-F665 WeakPolarHBondContact O-CD2 3.45Å; V661-F665 PolarHBondContact O-N 3.18Å; V661-L676 HydrophobicContact CB-CD2 4.22Å; V661-L676 HydrophobicContact CG1-CD2 3.75Å
662	V	91.5	Very high	88.3	Confident	3 Å²	3	50.4 Å²	50.4	2%	0.018	26%	0.26	C	S	.	.	H	α-helix	trans	-57.4	-30.8	174.3	168.3	0	0	0	0	111.7	A658 K666 P672 L676 W680	A658-V662 WeakPolarHBondContact O-CB 3.29Å; A658-V662 VanDerWaalsContact O-CG2 3.23Å; A658-V662 WeakPolarHBondContact O-CG2 3.36Å; A658-V662 PolarHBondContact O-N 3.21Å; V662-K666 HydrophobicContact CG1-CD 4Å; V662-K666 WeakPolarHBondContact O-CB 2.99Å; V662-K666 VanDerWaalsContact O-CG 3.31Å; V662-K666 WeakPolarHBondContact O-CG 3.29Å; V662-K666 PolarHBondContact O-N 2.9Å; V662-P672 HydrophobicContact CG1-CG 4.33Å; V662-P672 HydrophobicContact CG2-CB 4.48Å; V662-L676 HydrophobicContact CG2-CD2 3.6Å; V662-L676 HydrophobicContact CG2-CG 3.72Å; V662-W680 HydrophobicContact CG2-CB 4.23Å
663	R	88.4	Confident	88.4	Confident	55 Å²	55	48.5 Å²	48.5	21%	0.208	25%	0.247	C	C	.	.	H	α-helix	trans	-69	-41	172.5	-172.2	-175	-53.4	153.2	20.6	112.1	Y627 G659 D660 V661 K666 Q667 S697	Y627-R663 HydrophobicContact CE2-CB 4.05Å; Y627-R663 HydrophobicContact CE2-CG 4.17Å; G659-R663 PolarHBondContact O-N 2.99Å; D660-R663 WeakPolarHBondContact O-CB 3.17Å; D660-R663 PolarHBondContact O-N 2.74Å; D660-R663 IonicContact OD1-CZ 3.55Å; D660-R663 IonicContact OD1-NH1 3.51Å; D660-R663 PolarHBondContact OD1-NH1 3.49Å; D660-R663 IonicContact OD1-NH2 2.73Å; D660-R663 PolarHBondContact OD1-NH2 3.3Å; V661-R663 PolarHBondContact O-N 3.37Å; V661-R663 VanDerWaalsContact O-N 3.16Å; R663-K666 PolarHBondContact O-N 3.38Å; R663-Q667 HydrophobicContact CG-CG 4.31Å; R663-Q667 WeakPolarHBondContact O-CB 3.35Å; R663-Q667 WeakPolarHBondContact O-CG 3.5Å; R663-Q667 PolarHBondContact O-N 3.42Å; R663-S697 PolarHBondContact NH1-O 3.43Å
664	A	88.1	Confident	88.6	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-58.9	-53.5	178.3	0	0	0	0	0	111.7	V516 Y627 Y630 D660 V661 K666 Q667 S668	V516-A664 HydrophobicContact CG2-CB 4.3Å; Y627-A664 HydrophobicContact CE2-CB 3.93Å; Y630-A664 HydrophobicContact CD1-CB 3.82Å; Y630-A664 HydrophobicContact CE1-CB 3.29Å; D660-A664 PolarHBondContact O-N 3.35Å; D660-A664 VanDerWaalsContact O-N 3.12Å; V661-A664 WeakPolarHBondContact O-CB 3.22Å; V661-A664 PolarHBondContact O-N 3.49Å; A664-K666 PolarHBondContact O-N 3.3Å; A664-Q667 PolarHBondContact O-N 3.43Å; A664-Q667 VanDerWaalsContact O-N 3.1Å; A664-S668 PolarHBondContact O-N 3.29Å; A664-S668 PolarHBondContact O-OG 3.12Å
665	F	90.7	Very high	88.7	Confident	4 Å²	4	52.3 Å²	52.3	2%	0.018	26%	0.261	C	S	.	.	H	α-helix	trans	-53.1	-50.3	176.1	-83.1	-102.1	0	0	0	112	Q522 A524 V661 Q667 S668 G669 Q670 K671 P672 P673	Q522-F665 HydrophobicContact CB-CD1 4.45Å; Q522-F665 HydrophobicContact CB-CD2 4.47Å; Q522-F665 HydrophobicContact CB-CE1 3.83Å; Q522-F665 HydrophobicContact CB-CE2 3.84Å; Q522-F665 HydrophobicContact CB-CZ 3.49Å; Q522-F665 VanDerWaalsContact CB-CZ 3.49Å; Q522-F665 WeakPolarHBondContact O-CE1 3.21Å; Q522-F665 WeakPolarHBondContact O-CZ 3Å; A524-F665 HydrophobicContact CB-CE2 4.05Å; A524-F665 HydrophobicContact CB-CZ 4.12Å; V661-F665 HydrophobicContact CG1-CD2 4.03Å; V661-F665 HydrophobicContact CG1-CE2 3.82Å; V661-F665 WeakPolarHBondContact O-CD2 3.45Å; V661-F665 PolarHBondContact O-N 3.18Å; F665-Q667 VanDerWaalsContact C-N 3.27Å; F665-Q667 PolarHBondContact O-N 3.35Å; F665-S668 PolarHBondContact O-N 3.36Å; F665-S668 PolarHBondContact O-OG 3.12Å; F665-S668 VanDerWaalsContact O-OG 3.13Å; F665-G669 PolarHBondContact O-N 3.29Å; F665-G669 VanDerWaalsContact O-N 3.09Å; F665-Q670 CarbonylContact C-O 3.52Å; F665-Q670 HydrophobicContact CD1-CB 3.95Å; F665-Q670 PolarHBondContact O-N 3.35Å; F665-Q670 VanDerWaalsContact O-O 3.07Å; F665-K671 WeakPolarHBondContact CD1-O 3.41Å; F665-P672 HydrophobicContact CB-CB 4.23Å; F665-P672 HydrophobicContact CB-CG 3.85Å; F665-P672 HydrophobicContact CG-CB 4.42Å; F665-P673 HydrophobicContact CE1-CG 4.42Å; F665-P673 HydrophobicContact CZ-CG 4.38Å
666	K	89	Confident	89	Confident	116 Å²	116	51 Å²	51	50%	0.504	26%	0.255	S	S	.	.	H	α-helix	trans	-63.5	-29.6	179.5	-73.3	175.1	-179.1	174.4	0	113.4	V662 R663 A664 P672	V662-K666 HydrophobicContact CG1-CD 4Å; V662-K666 WeakPolarHBondContact O-CB 2.99Å; V662-K666 VanDerWaalsContact O-CG 3.31Å; V662-K666 WeakPolarHBondContact O-CG 3.29Å; V662-K666 PolarHBondContact O-N 2.9Å; R663-K666 PolarHBondContact O-N 3.38Å; A664-K666 PolarHBondContact O-N 3.3Å; K666-P672 HydrophobicContact CG-CG 4.1Å
667	Q	84.4	Confident	89.2	Confident	84 Å²	84	45.9 Å²	45.9	39%	0.393	24%	0.24	S	C	.	.	H	α-helix	trans	-85.8	-27.9	177.9	-70.8	-171.1	17.4	0	0	113.6	R513 V515 Y627 R663 A664 F665 G669	R513-Q667 PolarHBondContact O-OE1 3.33Å; V515-Q667 HydrophobicContact CG1-CB 4.14Å; V515-Q667 WeakPolarHBondContact CG1-O 3.48Å; V515-Q667 HydrophobicContact CG2-CB 4.12Å; Y627-Q667 PolarHBondContact OH-OE1 3.13Å; R663-Q667 HydrophobicContact CG-CG 4.31Å; R663-Q667 WeakPolarHBondContact O-CB 3.35Å; R663-Q667 WeakPolarHBondContact O-CG 3.5Å; R663-Q667 PolarHBondContact O-N 3.42Å; A664-Q667 PolarHBondContact O-N 3.43Å; A664-Q667 VanDerWaalsContact O-N 3.1Å; F665-Q667 VanDerWaalsContact C-N 3.27Å; F665-Q667 PolarHBondContact O-N 3.35Å; Q667-G669 VanDerWaalsContact C-N 3.3Å
668	S	83	Confident	89.4	Confident	19 Å²	19	49.7 Å²	49.7	13%	0.133	26%	0.258	C	S	.	.	H	α-helix	trans	-82.6	-4.3	171.6	64.4	0	0	0	0	113.6	Q522 A664 F665	Q522-S668 PolarHBondContact NE2-OG 3.08Å; A664-S668 PolarHBondContact O-N 3.29Å; A664-S668 PolarHBondContact O-OG 3.12Å; F665-S668 PolarHBondContact O-N 3.36Å; F665-S668 PolarHBondContact O-OG 3.12Å; F665-S668 VanDerWaalsContact O-OG 3.13Å
669	G	84	Confident	89.3	Confident	71 Å²	71	50.6 Å²	50.6	73%	0.732	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	83	12	179.2	0	0	0	0	0	114.8	F665 Q667	F665-G669 PolarHBondContact O-N 3.29Å; F665-G669 VanDerWaalsContact O-N 3.09Å; Q667-G669 VanDerWaalsContact C-N 3.3Å
670	Q	87.9	Confident	89.4	Confident	44 Å²	44	52.3 Å²	52.3	21%	0.206	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-95.4	143.8	-179.5	-69.3	164.2	0.4	0	0	110.7	V520 F665 P672	V520-Q670 PolarHBondContact O-NE2 3.4Å; F665-Q670 CarbonylContact C-O 3.52Å; F665-Q670 HydrophobicContact CD1-CB 3.95Å; F665-Q670 PolarHBondContact O-N 3.35Å; F665-Q670 VanDerWaalsContact O-O 3.07Å; Q670-P672 WeakPolarHBondContact O-CD 3.47Å
671	K	90.7	Very high	89.5	Confident	151 Å²	151	54 Å²	54	66%	0.657	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-70.4	123.5	175.3	-173.4	-167.8	171.4	-171.3	0	109	F665 E674	F665-K671 WeakPolarHBondContact CD1-O 3.41Å; K671-E674 IonicContact NZ-OE1 3.84Å; K671-E674 PolarHBondContact NZ-OE1 3.16Å
672	P	90	Very high	89.4	Confident	13 Å²	13	56.1 Å²	56.1	8%	0.084	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-62.2	146.3	172.3	-17.7	29.5	0	0	0	111.4	V662 F665 K666 Q670	V662-P672 HydrophobicContact CG1-CG 4.33Å; V662-P672 HydrophobicContact CG2-CB 4.48Å; F665-P672 HydrophobicContact CB-CB 4.23Å; F665-P672 HydrophobicContact CB-CG 3.85Å; F665-P672 HydrophobicContact CG-CB 4.42Å; K666-P672 HydrophobicContact CG-CG 4.1Å; Q670-P672 WeakPolarHBondContact O-CD 3.47Å
673	P	92.7	Very high	89.1	Confident	37 Å²	37	57.7 Å²	57.7	24%	0.24	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-55.6	143.8	168.5	-26.5	36.6	0	0	0	111.7	A524 F665 E675 L676 M677	A524-P673 HydrophobicContact CB-CG 4.22Å; F665-P673 HydrophobicContact CE1-CG 4.42Å; F665-P673 HydrophobicContact CZ-CG 4.38Å; P673-E675 PolarHBondContact O-N 2.81Å; P673-L676 HydrophobicContact CB-CB 4.24Å; P673-L676 PolarHBondContact O-N 3.03Å; P673-M677 PolarHBondContact O-N 3.49Å
674	E	91.8	Very high	89	Confident	122 Å²	122	58.6 Å²	58.6	57%	0.57	31%	0.305	S	S	*	.	H	α-helix	trans	-70.9	-34.8	-171.9	-60.8	-170	170.2	0	0	111.9	K671 M677 N678	K671-E674 IonicContact NZ-OE1 3.84Å; K671-E674 PolarHBondContact NZ-OE1 3.16Å; E674-M677 PolarHBondContact O-N 2.98Å; E674-N678 WeakPolarHBondContact O-CB 3.21Å; E674-N678 PolarHBondContact O-N 2.84Å; E674-N678 PolarHBondContact O-ND2 3Å
675	E	91.1	Very high	88.9	Confident	121 Å²	121	63 Å²	63	57%	0.565	33%	0.328	S	S	*	.	H	α-helix	trans	-59.9	-48.2	172.5	-58	173.8	169.6	0	0	111.9	I526 P673 M677 N678 M679	I526-E675 HydrophobicContact CD1-CB 4.1Å; P673-E675 PolarHBondContact O-N 2.81Å; E675-M677 VanDerWaalsContact C-N 3.31Å; E675-M677 PolarHBondContact O-N 3.45Å; E675-N678 PolarHBondContact O-N 2.9Å; E675-M679 PolarHBondContact O-N 3.29Å
676	L	92.2	Very high	88.6	Confident	2 Å²	2	68.1 Å²	68.1	1%	0.01	35%	0.347	C	S	.	.	H	α-helix	trans	-60.7	-41	175.7	-175.5	77.3	0	0	0	111.5	A524 L650 A658 V661 V662 P673 W680	A524-L676 HydrophobicContact CB-CD1 4.46Å; A524-L676 HydrophobicContact CB-CD2 3.92Å; L650-L676 HydrophobicContact CD1-CD1 3.9Å; L650-L676 HydrophobicContact CD2-CD1 3.81Å; L650-L676 HydrophobicContact CG-CD1 4.48Å; A658-L676 HydrophobicContact CB-CD1 3.73Å; A658-L676 HydrophobicContact CB-CG 4.48Å; V661-L676 HydrophobicContact CB-CD2 4.22Å; V661-L676 HydrophobicContact CG1-CD2 3.75Å; V662-L676 HydrophobicContact CG2-CD2 3.6Å; V662-L676 HydrophobicContact CG2-CG 3.72Å; P673-L676 HydrophobicContact CB-CB 4.24Å; P673-L676 PolarHBondContact O-N 3.03Å; L676-W680 WeakPolarHBondContact O-CB 3.37Å; L676-W680 PolarHBondContact O-N 3.09Å
677	M	90.9	Very high	88.3	Confident	66 Å²	66	63.8 Å²	63.8	33%	0.325	33%	0.329	S	S	.	.	H	α-helix	trans	-69.8	-34.4	177.1	-173.2	142.2	166.3	0	0	111.9	P673 E674 E675 N681	P673-M677 PolarHBondContact O-N 3.49Å; E674-M677 PolarHBondContact O-N 2.98Å; E675-M677 VanDerWaalsContact C-N 3.31Å; E675-M677 PolarHBondContact O-N 3.45Å; M677-N681 VanDerWaalsContact O-CB 3.26Å; M677-N681 WeakPolarHBondContact O-CB 3.48Å; M677-N681 PolarHBondContact O-N 3.15Å; M677-N681 PolarHBondContact O-ND2 3.32Å; M677-N681 VanDerWaalsContact O-ND2 3.13Å
678	N	91.7	Very high	88.2	Confident	104 Å²	104	64.1 Å²	64.1	56%	0.556	33%	0.33	S	S	*	.	H	α-helix	trans	-67.8	-45.9	174.3	-71.3	-20.7	0	0	0	111.7	E674 E675 W680 N681 A682	E674-N678 WeakPolarHBondContact O-CB 3.21Å; E674-N678 PolarHBondContact O-N 2.84Å; E674-N678 PolarHBondContact O-ND2 3Å; E675-N678 PolarHBondContact O-N 2.9Å; N678-W680 PolarHBondContact O-N 2.91Å; N678-N681 PolarHBondContact O-N 2.87Å; N678-A682 WeakPolarHBondContact O-CB 3.42Å; N678-A682 PolarHBondContact O-N 3.22Å
679	M	89.1	Confident	88.2	Confident	19 Å²	19	71 Å²	71	9%	0.094	36%	0.36	C	S	.	.	H	α-helix	trans	-54.9	-51.5	172.3	173.9	-173.3	-97.6	0	0	111.2	I526 E655 A658 E675 N681 A682 Y683	I526-M679 HydrophobicContact CB-CE 4.49Å; I526-M679 HydrophobicContact CD1-CB 3.84Å; I526-M679 HydrophobicContact CD1-CE 3.7Å; I526-M679 HydrophobicContact CD1-CG 4.4Å; I526-M679 HydrophobicContact CD1-SD 3.82Å; I526-M679 HydrophobicContact CG1-CE 3.83Å; I526-M679 HydrophobicContact CG1-SD 4.12Å; I526-M679 HydrophobicContact CG2-CE 3.81Å; E655-M679 HydrophobicContact CB-CG 4.02Å; E655-M679 HydrophobicContact CG-CE 4.42Å; E655-M679 HydrophobicContact CG-CG 3.94Å; E655-M679 HydrophobicContact CG-SD 4.47Å; A658-M679 HydrophobicContact CB-CG 4.22Å; A658-M679 HydrophobicContact CB-SD 3.73Å; E675-M679 PolarHBondContact O-N 3.29Å; M679-N681 PolarHBondContact O-N 3.01Å; M679-A682 PolarHBondContact O-N 2.98Å; M679-Y683 PolarHBondContact O-N 3.06Å
680	W	90.6	Very high	88.1	Confident	41 Å²	41	71.9 Å²	71.9	16%	0.155	35%	0.345	C	S	.	.	H	α-helix	trans	-62.2	-41.8	178.5	172	-111.7	0	0	0	113	A658 G659 V662 L676 N678 Y683 K684 V694	A658-W680 HydrophobicContact CB-CB 4.47Å; G659-W680 VanDerWaalsContact CA-CD2 3.44Å; G659-W680 VanDerWaalsContact CA-CZ3 3.42Å; V662-W680 HydrophobicContact CG2-CB 4.23Å; L676-W680 WeakPolarHBondContact O-CB 3.37Å; L676-W680 PolarHBondContact O-N 3.09Å; N678-W680 PolarHBondContact O-N 2.91Å; W680-Y683 AromaticContact CE3-CD1 3.94Å; W680-Y683 HydrophobicContact CE3-CD1 3.94Å; W680-Y683 AromaticContact CZ3-CD1 3.63Å; W680-Y683 HydrophobicContact CZ3-CD1 3.63Å; W680-Y683 AromaticContact CZ3-CE1 3.91Å; W680-Y683 HydrophobicContact CZ3-CE1 3.91Å; W680-K684 WeakPolarHBondContact O-CB 3.43Å; W680-K684 PolarHBondContact O-N 3.16Å; W680-V694 HydrophobicContact CH2-CG1 3.6Å; W680-V694 HydrophobicContact CZ2-CG1 4.41Å; W680-V694 HydrophobicContact CZ3-CG1 4.29Å
681	N	90.2	Very high	87.2	Confident	60 Å²	60	72.9 Å²	72.9	32%	0.321	37%	0.367	S	S	.	.	H	α-helix	trans	-65.3	-42.3	177.4	-71.7	-21.4	0	0	0	111.3	M677 N678 M679 K684 I685	M677-N681 VanDerWaalsContact O-CB 3.26Å; M677-N681 WeakPolarHBondContact O-CB 3.48Å; M677-N681 PolarHBondContact O-N 3.15Å; M677-N681 PolarHBondContact O-ND2 3.32Å; M677-N681 VanDerWaalsContact O-ND2 3.13Å; N678-N681 PolarHBondContact O-N 2.87Å; M679-N681 PolarHBondContact O-N 3.01Å; N681-K684 PolarHBondContact O-N 2.8Å; N681-I685 WeakPolarHBondContact O-CB 3.15Å; N681-I685 WeakPolarHBondContact O-CD1 3.22Å; N681-I685 WeakPolarHBondContact O-CG1 3.32Å; N681-I685 PolarHBondContact O-N 3.13Å
682	A	89	Confident	86.3	Confident	46 Å²	46	71.3 Å²	71.3	38%	0.38	36%	0.36	S	S	.	.	H	α-helix	trans	-62.8	-44.7	177.2	0	0	0	0	0	111.9	N678 M679 I685 R686	N678-A682 WeakPolarHBondContact O-CB 3.42Å; N678-A682 PolarHBondContact O-N 3.22Å; M679-A682 PolarHBondContact O-N 2.98Å; A682-I685 PolarHBondContact O-N 3.21Å; A682-R686 WeakPolarHBondContact O-CB 3.39Å; A682-R686 PolarHBondContact O-N 2.93Å
683	Y	86.4	Confident	85	Confident	36 Å²	36	78.1 Å²	78.1	14%	0.141	39%	0.389	C	S	.	.	H	α-helix	trans	-61.8	-45.5	173.4	174.2	-95.9	0	0	0	112.4	E655 R656 M679 W680 I685 R686 M687 V694	E655-Y683 HydrophobicContact CB-CD2 3.77Å; E655-Y683 HydrophobicContact CB-CG 3.94Å; E655-Y683 WeakPolarHBondContact OE2-CD2 3.44Å; R656-Y683 HydrophobicContact CB-CE2 4.43Å; M679-Y683 PolarHBondContact O-N 3.06Å; W680-Y683 AromaticContact CE3-CD1 3.94Å; W680-Y683 HydrophobicContact CE3-CD1 3.94Å; W680-Y683 AromaticContact CZ3-CD1 3.63Å; W680-Y683 HydrophobicContact CZ3-CD1 3.63Å; W680-Y683 AromaticContact CZ3-CE1 3.91Å; W680-Y683 HydrophobicContact CZ3-CE1 3.91Å; Y683-I685 VanDerWaalsContact C-N 3.34Å; Y683-I685 PolarHBondContact O-N 3.27Å; Y683-R686 PolarHBondContact O-N 3Å; Y683-M687 HydrophobicContact CD1-CG 4.22Å; Y683-M687 HydrophobicContact CD2-CG 4.3Å; Y683-M687 HydrophobicContact CE1-CG 3.8Å; Y683-M687 HydrophobicContact CE2-CE 4.12Å; Y683-M687 HydrophobicContact CE2-CG 3.89Å; Y683-M687 HydrophobicContact CE2-SD 4.21Å; Y683-M687 HydrophobicContact CG-CG 4.46Å; Y683-M687 WeakPolarHBondContact O-CB 3.37Å; Y683-M687 WeakPolarHBondContact O-CG 3.48Å; Y683-M687 PolarHBondContact O-N 3.13Å; Y683-V694 HydrophobicContact CE1-CG1 4.15Å; Y683-V694 HydrophobicContact CE1-CG2 4.24Å
684	K	85.3	Confident	83.5	Confident	74 Å²	74	78.5 Å²	78.5	32%	0.322	39%	0.39	S	S	.	.	H	α-helix	trans	-58.2	-46.4	175.9	-178.8	-177.7	174.5	-69.9	0	111.2	W680 N681 M687 E688	W680-K684 WeakPolarHBondContact O-CB 3.43Å; W680-K684 PolarHBondContact O-N 3.16Å; N681-K684 PolarHBondContact O-N 2.8Å; K684-M687 PolarHBondContact O-N 2.89Å; K684-E688 WeakPolarHBondContact CE-OE1 3.31Å; K684-E688 IonicContact NZ-OE1 2.74Å; K684-E688 PolarHBondContact NZ-OE1 2.98Å; K684-E688 IonicContact NZ-OE2 3.37Å; K684-E688 PolarHBondContact NZ-OE2 3.31Å; K684-E688 WeakPolarHBondContact O-CB 3.37Å; K684-E688 WeakPolarHBondContact O-CG 3.32Å; K684-E688 PolarHBondContact O-N 3.49Å
685	I	86.8	Confident	81.9	Confident	92 Å²	92	81.3 Å²	81.3	47%	0.472	40%	0.397	S	S	.	.	H	α-helix	trans	-61.7	-44.4	177.2	-70.4	163.8	0	0	0	110.7	N681 A682 Y683 E688 H689	N681-I685 WeakPolarHBondContact O-CB 3.15Å; N681-I685 WeakPolarHBondContact O-CD1 3.22Å; N681-I685 WeakPolarHBondContact O-CG1 3.32Å; N681-I685 PolarHBondContact O-N 3.13Å; A682-I685 PolarHBondContact O-N 3.21Å; Y683-I685 VanDerWaalsContact C-N 3.34Å; Y683-I685 PolarHBondContact O-N 3.27Å; I685-E688 PolarHBondContact O-N 3.4Å; I685-H689 PolarHBondContact O-N 3.05Å; I685-H689 PolarHBondContact O-ND1 3.01Å
686	R	84.5	Confident	80.1	Confident	112 Å²	112	77.9 Å²	77.9	42%	0.423	39%	0.394	S	S	.	.	H	α-helix	trans	-62	-48	178.8	-163.1	-173.9	-51.6	139.6	15	111.8	E655 A682 Y683 E688 H689 E690	E655-R686 IonicContact OE1-CZ 3.96Å; E655-R686 IonicContact OE1-NH1 2.81Å; E655-R686 IonicContact OE1-NH2 2.69Å; E655-R686 PolarHBondContact OE1-NH2 3.11Å; E655-R686 IonicContact OE2-CZ 2.61Å; E655-R686 IonicContact OE2-NH1 3.38Å; E655-R686 PolarHBondContact OE2-NH1 2.89Å; E655-R686 IonicContact OE2-NH2 3.49Å; E655-R686 PolarHBondContact OE2-NH2 3.46Å; A682-R686 WeakPolarHBondContact O-CB 3.39Å; A682-R686 PolarHBondContact O-N 2.93Å; Y683-R686 PolarHBondContact O-N 3Å; R686-E688 VanDerWaalsContact C-N 3.32Å; R686-E688 PolarHBondContact O-N 3.13Å; R686-H689 WeakPolarHBondContact O-CB 3.36Å; R686-H689 PolarHBondContact O-N 3.29Å; R686-H689 VanDerWaalsContact O-N 3.15Å; R686-E690 PolarHBondContact O-N 3.08Å
687	M	82.1	Confident	78	Confident	26 Å²	26	79.5 Å²	79.5	13%	0.128	41%	0.405	C	S	.	.	H	α-helix	trans	-62.8	-36.6	175.9	-69.9	-69.1	109.7	0	0	112.5	Y683 K684 E690 G691 K692 V694	Y683-M687 HydrophobicContact CD1-CG 4.22Å; Y683-M687 HydrophobicContact CD2-CG 4.3Å; Y683-M687 HydrophobicContact CE1-CG 3.8Å; Y683-M687 HydrophobicContact CE2-CE 4.12Å; Y683-M687 HydrophobicContact CE2-CG 3.89Å; Y683-M687 HydrophobicContact CE2-SD 4.21Å; Y683-M687 HydrophobicContact CG-CG 4.46Å; Y683-M687 WeakPolarHBondContact O-CB 3.37Å; Y683-M687 WeakPolarHBondContact O-CG 3.48Å; Y683-M687 PolarHBondContact O-N 3.13Å; K684-M687 PolarHBondContact O-N 2.89Å; M687-E690 VanDerWaalsContact CE-CD 3.49Å; M687-E690 WeakPolarHBondContact CE-OE1 3.41Å; M687-E690 WeakPolarHBondContact CE-OE2 3.34Å; M687-E690 CarbonylContact O-C 3.59Å; M687-E690 PolarHBondContact O-N 3.13Å; M687-G691 PolarHBondContact O-N 3.28Å; M687-K692 CarbonylContact C-O 3.58Å; M687-K692 HydrophobicContact CB-CB 4.48Å; M687-K692 CarbonylContact O-C 3.52Å; M687-K692 WeakPolarHBondContact O-CA 3.39Å; M687-K692 PolarHBondContact O-N 2.97Å; M687-K692 HydrophobicContact SD-CB 4.45Å; M687-K692 HydrophobicContact SD-CD 4.09Å; M687-V694 HydrophobicContact CB-CG2 3.23Å; M687-V694 HydrophobicContact CG-CG2 3.59Å
688	E	82.9	Confident	75.9	Confident	91 Å²	91	81.7 Å²	81.7	43%	0.425	43%	0.427	S	S	.	.	H	α-helix	trans	-67.3	-34.4	174.2	-76.2	174	152.3	0	0	112.4	K684 I685 R686 G691	K684-E688 WeakPolarHBondContact CE-OE1 3.31Å; K684-E688 IonicContact NZ-OE1 2.74Å; K684-E688 PolarHBondContact NZ-OE1 2.98Å; K684-E688 IonicContact NZ-OE2 3.37Å; K684-E688 PolarHBondContact NZ-OE2 3.31Å; K684-E688 WeakPolarHBondContact O-CB 3.37Å; K684-E688 WeakPolarHBondContact O-CG 3.32Å; K684-E688 PolarHBondContact O-N 3.49Å; I685-E688 PolarHBondContact O-N 3.4Å; R686-E688 VanDerWaalsContact C-N 3.32Å; R686-E688 PolarHBondContact O-N 3.13Å; E688-G691 PolarHBondContact O-N 2.83Å; E688-G691 VanDerWaalsContact O-N 3.16Å
689	H	81.5	Confident	73.7	Confident	162 Å²	162	77.9 Å²	77.9	75%	0.75	41%	0.413	S	S	*	.	H	α-helix	trans	-68.8	-32.8	169.6	-75.5	74.2	0	0	0	112.7	I685 R686 G691	I685-H689 PolarHBondContact O-N 3.05Å; I685-H689 PolarHBondContact O-ND1 3.01Å; R686-H689 WeakPolarHBondContact O-CB 3.36Å; R686-H689 PolarHBondContact O-N 3.29Å; R686-H689 VanDerWaalsContact O-N 3.15Å; H689-G691 PolarHBondContact O-N 3.06Å
690	E	81.9	Confident	71.7	Confident	90 Å²	90	79.5 Å²	79.5	42%	0.421	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	4.1	170.2	-68.5	177.2	-140.2	0	0	113.5	R686 M687 K692	R686-E690 PolarHBondContact O-N 3.08Å; M687-E690 VanDerWaalsContact CE-CD 3.49Å; M687-E690 WeakPolarHBondContact CE-OE1 3.41Å; M687-E690 WeakPolarHBondContact CE-OE2 3.34Å; M687-E690 CarbonylContact O-C 3.59Å; M687-E690 PolarHBondContact O-N 3.13Å; E690-K692 HydrophobicContact CB-CD 4.07Å; E690-K692 HydrophobicContact CB-CG 4.34Å; E690-K692 PolarHBondContact O-N 3.42Å; E690-K692 WeakPolarHBondContact OE2-CE 3.46Å; E690-K692 IonicContact OE2-NZ 2.66Å; E690-K692 PolarHBondContact OE2-NZ 3.39Å
691	G	70.5	Confident	69.5	Low	65 Å²	65	88.8 Å²	88.8	67%	0.67	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	4.4	-177.7	0	0	0	0	0	114.7	M687 E688 H689	M687-G691 PolarHBondContact O-N 3.28Å; E688-G691 PolarHBondContact O-N 2.83Å; E688-G691 VanDerWaalsContact O-N 3.16Å; H689-G691 PolarHBondContact O-N 3.06Å
692	K	70.4	Confident	67.2	Low	118 Å²	118	88.2 Å²	88.2	51%	0.513	46%	0.463	S	S	.	.			trans	-93.3	100.7	-175.7	-65.1	166.7	-170.6	166.7	0	110	M687 E690 V694	M687-K692 CarbonylContact C-O 3.58Å; M687-K692 HydrophobicContact CB-CB 4.48Å; M687-K692 CarbonylContact O-C 3.52Å; M687-K692 WeakPolarHBondContact O-CA 3.39Å; M687-K692 PolarHBondContact O-N 2.97Å; M687-K692 HydrophobicContact SD-CB 4.45Å; M687-K692 HydrophobicContact SD-CD 4.09Å; E690-K692 HydrophobicContact CB-CD 4.07Å; E690-K692 HydrophobicContact CB-CG 4.34Å; E690-K692 PolarHBondContact O-N 3.42Å; E690-K692 WeakPolarHBondContact OE2-CE 3.46Å; E690-K692 IonicContact OE2-NZ 2.66Å; E690-K692 PolarHBondContact OE2-NZ 3.39Å; K692-V694 PolarHBondContact O-N 2.62Å
693	K	62.7	Low	64.8	Low	156 Å²	156	93.8 Å²	93.8	68%	0.678	48%	0.478	S	S	*	.			trans	-62.5	111	172.4	-72	-173.8	179.1	179.3	0	110.5	Y695	K693-Y695 VanDerWaalsContact C-N 3.3Å; K693-Y695 HydrophobicContact CB-CD2 4.15Å; K693-Y695 HydrophobicContact CB-CE2 3.7Å; K693-Y695 VanDerWaalsContact O-CD2 3.29Å; K693-Y695 WeakPolarHBondContact O-CD2 3.38Å; K693-Y695 PolarHBondContact O-N 3.33Å
694	V	61.3	Low	62.4	Low	45 Å²	45	95.8 Å²	95.8	27%	0.273	51%	0.51	S	S	.	.			trans	-74.3	84	175.9	-168.4	0	0	0	0	109.8	W680 Y683 M687 K692	W680-V694 HydrophobicContact CH2-CG1 3.6Å; W680-V694 HydrophobicContact CZ2-CG1 4.41Å; W680-V694 HydrophobicContact CZ3-CG1 4.29Å; Y683-V694 HydrophobicContact CE1-CG1 4.15Å; Y683-V694 HydrophobicContact CE1-CG2 4.24Å; M687-V694 HydrophobicContact CB-CG2 3.23Å; M687-V694 HydrophobicContact CG-CG2 3.59Å; K692-V694 PolarHBondContact O-N 2.62Å
695	Y	58.1	Low	60.2	Low	182 Å²	182	100.3 Å²	100.3	71%	0.714	53%	0.53	S	S	*	.			trans	-63.7	133.7	166.7	-71.7	-84.2	0	0	0	109.4	K693 S697	K693-Y695 VanDerWaalsContact C-N 3.3Å; K693-Y695 HydrophobicContact CB-CD2 4.15Å; K693-Y695 HydrophobicContact CB-CE2 3.7Å; K693-Y695 VanDerWaalsContact O-CD2 3.29Å; K693-Y695 WeakPolarHBondContact O-CD2 3.38Å; K693-Y695 PolarHBondContact O-N 3.33Å; Y695-S697 PolarHBondContact O-N 3.01Å
696	G	54.1	Low	57.8	Low	48 Å²	48	101.9 Å²	101.9	50%	0.495	54%	0.537	S	S	.	.			trans	-54	123.9	177.4	0	0	0	0	0	110.8	S698	G696-S698 PolarHBondContact O-N 3Å
697	S	49	Very low	55.6	Low	37 Å²	37	100.2 Å²	100.2	26%	0.259	53%	0.533	S	S	.	.			trans	-42.7	103.2	-173.3	-170.4	0	0	0	0	112.5	D660 R663 Y695 G699	D660-S697 WeakPolarHBondContact OD1-CB 3.45Å; D660-S697 VanDerWaalsContact OD2-CB 3.24Å; D660-S697 WeakPolarHBondContact OD2-CB 3.42Å; D660-S697 PolarHBondContact OD2-OG 3.24Å; R663-S697 PolarHBondContact NH1-O 3.43Å; Y695-S697 PolarHBondContact O-N 3.01Å; S697-G699 PolarHBondContact O-N 2.95Å; S697-G699 PolarHBondContact OG-N 3.37Å
698	S	45.2	Very low	54.1	Low	111 Å²	111	104.5 Å²	104.5	78%	0.776	56%	0.556	S	S	*	*			trans	-94.7	55.8	157.5	35	0	0	0	0	107.3	G696 F700	G696-S698 PolarHBondContact O-N 3Å; S698-F700 PolarHBondContact O-N 3.1Å
699	G	46.6	Very low	52.5	Low	25 Å²	25	107.9 Å²	107.9	26%	0.258	57%	0.572	S	S	.	*			trans	-68.3	-0.9	-154.5	0	0	0	0	0	117.6	S697 R701 G702	S697-G699 PolarHBondContact O-N 2.95Å; S697-G699 PolarHBondContact OG-N 3.37Å; G699-R701 PolarHBondContact O-N 2.9Å; G699-G702 PolarHBondContact O-N 3.24Å
700	F	46.5	Very low	51.4	Low	52 Å²	52	105.5 Å²	105.5	23%	0.228	57%	0.568	C	S	.	*			trans	-63.5	4.8	-179.3	-151.2	-83.5	0	0	0	114	F462 D463 P491 Q493 S698 G702	F462-F700 HydrophobicContact CB-CZ 4.34Å; D463-F700 VanDerWaalsContact OD1-CE2 3.26Å; D463-F700 WeakPolarHBondContact OD1-CE2 3.23Å; P491-F700 HydrophobicContact CB-CB 4.03Å; P491-F700 HydrophobicContact CB-CD2 3.64Å; P491-F700 HydrophobicContact CB-CE2 4.28Å; P491-F700 HydrophobicContact CB-CG 3.89Å; P491-F700 HydrophobicContact CG-CD2 3.53Å; P491-F700 HydrophobicContact CG-CE2 3.65Å; P491-F700 HydrophobicContact CG-CG 4.16Å; P491-F700 HydrophobicContact CG-CZ 4.37Å; Q493-F700 HydrophobicContact CB-CD1 3.53Å; Q493-F700 HydrophobicContact CB-CE1 3.58Å; Q493-F700 HydrophobicContact CB-CG 4.47Å; Q493-F700 HydrophobicContact CG-CD1 3.51Å; Q493-F700 HydrophobicContact CG-CE1 3.97Å; Q493-F700 HydrophobicContact CG-CG 4.5Å; Q493-F700 PolarHBondContact NE2-O 3.27Å; Q493-F700 VanDerWaalsContact NE2-O 3.11Å; S698-F700 PolarHBondContact O-N 3.1Å; F700-G702 PolarHBondContact O-N 3.27Å; F700-G702 VanDerWaalsContact O-N 3.07Å
701	R	44.5	Very low	50.2	Low	236 Å²	236	105.2 Å²	105.2	89%	0.891	57%	0.567	S	S	*	*			trans	-79.1	41.7	162.8	-157.1	-174.6	-179.1	-175.6	-0.1	111.6	G699	G699-R701 PolarHBondContact O-N 2.9Å
702	G	42.2	Very low	49.7	Very low	49 Å²	49	104 Å²	104	51%	0.505	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-70.7	128.5	163.8	0	0	0	0	0	109.2	G699 F700 G704	G699-G702 PolarHBondContact O-N 3.24Å; F700-G702 PolarHBondContact O-N 3.27Å; F700-G702 VanDerWaalsContact O-N 3.07Å; G702-G704 PolarHBondContact O-N 2.87Å
703	K	37.3	Very low	49.5	Very low	162 Å²	162	104.1 Å²	104.1	70%	0.704	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-66	121	148.8	-72.7	-178.2	177.5	-177.5	0	105.1	F705 M706	K703-F705 PolarHBondContact O-N 3.04Å; K703-M706 HydrophobicContact CB-CG 3.8Å; K703-M706 HydrophobicContact CB-SD 3.97Å; K703-M706 HydrophobicContact CD-CG 4.12Å; K703-M706 HydrophobicContact CD-SD 3.36Å; K703-M706 WeakPolarHBondContact CD-SD 3.26Å; K703-M706 HydrophobicContact CG-SD 4.35Å
704	G	37.2	Very low	49.7	Very low	78 Å²	78	101.7 Å²	101.7	80%	0.804	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	127.9	-179.7	0	0	0	0	0	110.1	G702 M706	G702-G704 PolarHBondContact O-N 2.87Å; G704-M706 PolarHBondContact O-N 3.22Å
705	F	39.8	Very low	49.9	Very low	170 Å²	170	102.8 Å²	102.8	75%	0.746	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	20.5	84.9	-172.8	-132.8	-92.3	0	0	0	114.2	K703 F707	K703-F705 PolarHBondContact O-N 3.04Å; F705-F707 VanDerWaalsContact O-CD2 3.29Å; F705-F707 WeakPolarHBondContact O-CD2 3.5Å; F705-F707 PolarHBondContact O-N 3.49Å
706	M	36.1	Very low	50.2	Low	124 Å²	124	97.4 Å²	97.4	61%	0.611	54%	0.541	S	S	*	.			trans	-63.9	91.7	164.2	-76.4	-72.7	-58	0	0	107.9	K703 G704 D708	K703-M706 HydrophobicContact CB-CG 3.8Å; K703-M706 HydrophobicContact CB-SD 3.97Å; K703-M706 HydrophobicContact CD-CG 4.12Å; K703-M706 HydrophobicContact CD-SD 3.36Å; K703-M706 WeakPolarHBondContact CD-SD 3.26Å; K703-M706 HydrophobicContact CG-SD 4.35Å; G704-M706 PolarHBondContact O-N 3.22Å; M706-D708 PolarHBondContact O-N 3.45Å
707	F	38.7	Very low	50.8	Low	77 Å²	77	100.5 Å²	100.5	34%	0.338	54%	0.542	S	S	.	.			trans	-40.7	127.3	155.3	-68	-90	0	0	0	108.1	F705 E711 A712 N715	F705-F707 VanDerWaalsContact O-CD2 3.29Å; F705-F707 WeakPolarHBondContact O-CD2 3.5Å; F705-F707 PolarHBondContact O-N 3.49Å; F707-E711 HydrophobicContact CB-CB 4.08Å; F707-E711 HydrophobicContact CD1-CB 4.2Å; F707-E711 VanDerWaalsContact CD1-CD 3.46Å; F707-E711 HydrophobicContact CD1-CG 3.77Å; F707-E711 WeakPolarHBondContact CD1-OE2 3.21Å; F707-A712 HydrophobicContact CB-CB 3.88Å; F707-N715 HydrophobicContact CD1-CB 4.32Å; F707-N715 HydrophobicContact CE1-CB 4.41Å; F707-N715 VanDerWaalsContact CE1-ND2 3.27Å; F707-N715 WeakPolarHBondContact CE1-ND2 3.36Å; F707-N715 WeakPolarHBondContact CZ-ND2 3.5Å
708	D	49.9	Very low	51.7	Low	116 Å²	116	105 Å²	105	62%	0.62	56%	0.557	S	S	*	*			trans	-52	157.5	174.9	-82.1	-36.5	0	0	0	109.9	M706 V710 E711 A712	M706-D708 PolarHBondContact O-N 3.45Å; D708-V710 CarbonylContact O-C 3.57Å; D708-V710 PolarHBondContact O-N 2.84Å; D708-E711 HydrophobicContact CB-CB 4.32Å; D708-E711 CarbonylContact O-C 3.53Å; D708-E711 WeakPolarHBondContact O-CA 3.42Å; D708-E711 PolarHBondContact O-N 3.44Å; D708-A712 WeakPolarHBondContact O-CB 3.43Å; D708-A712 PolarHBondContact O-N 3.13Å
709	E	49.9	Very low	52.5	Low	163 Å²	163	107.9 Å²	107.9	76%	0.762	55%	0.551	S	S	*	*	H	α-helix	trans	-54	-34.1	-177.9	-70.1	-166.5	141.3	0	0	113	Q713	E709-Q713 VanDerWaalsContact O-CB 3.27Å; E709-Q713 WeakPolarHBondContact O-CB 3.44Å; E709-Q713 WeakPolarHBondContact O-CG 3.47Å; E709-Q713 PolarHBondContact O-N 3.26Å
710	V	57.4	Low	53.5	Low	111 Å²	111	114.6 Å²	114.6	67%	0.673	57%	0.568	S	S	*	*	H	α-helix	trans	-66.5	-44.4	171.6	-178.2	0	0	0	0	112.3	D708 L714	D708-V710 CarbonylContact O-C 3.57Å; D708-V710 PolarHBondContact O-N 2.84Å; V710-L714 WeakPolarHBondContact O-CB 3.13Å; V710-L714 PolarHBondContact O-N 3.28Å
711	E	57.2	Low	54.3	Low	84 Å²	84	118.5 Å²	118.5	39%	0.393	59%	0.591	S	S	.	*	H	α-helix	trans	-76.7	-27.9	-178.6	-150.4	-165.3	-173.4	0	0	111.8	F707 D708 L714 N715	F707-E711 HydrophobicContact CB-CB 4.08Å; F707-E711 HydrophobicContact CD1-CB 4.2Å; F707-E711 VanDerWaalsContact CD1-CD 3.46Å; F707-E711 HydrophobicContact CD1-CG 3.77Å; F707-E711 WeakPolarHBondContact CD1-OE2 3.21Å; D708-E711 HydrophobicContact CB-CB 4.32Å; D708-E711 CarbonylContact O-C 3.53Å; D708-E711 WeakPolarHBondContact O-CA 3.42Å; D708-E711 PolarHBondContact O-N 3.44Å; E711-L714 PolarHBondContact O-N 3.11Å; E711-N715 WeakPolarHBondContact O-CB 3.44Å; E711-N715 PolarHBondContact O-N 3.11Å
712	A	60.6	Low	55	Low	39 Å²	39	112.7 Å²	112.7	32%	0.322	57%	0.574	S	S	.	*	H	α-helix	trans	-75.6	-37.6	172.7	0	0	0	0	0	111	F707 D708 S716	F707-A712 HydrophobicContact CB-CB 3.88Å; D708-A712 WeakPolarHBondContact O-CB 3.43Å; D708-A712 PolarHBondContact O-N 3.13Å; A712-S716 WeakPolarHBondContact O-CB 3.49Å; A712-S716 PolarHBondContact O-N 3.09Å; A712-S716 PolarHBondContact O-OG 2.96Å
713	Q	66.2	Low	56	Low	122 Å²	122	113.7 Å²	113.7	57%	0.57	56%	0.564	S	S	*	*	H	α-helix	trans	-60.2	-51.9	164.6	-78	170.6	14.5	0	0	109.9	E709 N715 S716 E717	E709-Q713 VanDerWaalsContact O-CB 3.27Å; E709-Q713 WeakPolarHBondContact O-CB 3.44Å; E709-Q713 WeakPolarHBondContact O-CG 3.47Å; E709-Q713 PolarHBondContact O-N 3.26Å; Q713-N715 VanDerWaalsContact C-N 3.35Å; Q713-N715 PolarHBondContact O-N 3.37Å; Q713-S716 PolarHBondContact O-N 3.04Å; Q713-S716 PolarHBondContact O-OG 3.38Å; Q713-S716 VanDerWaalsContact O-OG 3.1Å; Q713-E717 VanDerWaalsContact O-CB 3.31Å; Q713-E717 WeakPolarHBondContact O-CB 3.39Å; Q713-E717 WeakPolarHBondContact O-CG 3.19Å; Q713-E717 PolarHBondContact O-N 2.83Å
714	L	66.7	Low	57.1	Low	105 Å²	105	109.8 Å²	109.8	55%	0.55	56%	0.562	S	S	.	*	H	α-helix	trans	-58.8	-43.5	179.3	-157.1	168.7	0	0	0	111.8	V710 E711 K718	V710-L714 WeakPolarHBondContact O-CB 3.13Å; V710-L714 PolarHBondContact O-N 3.28Å; E711-L714 PolarHBondContact O-N 3.11Å; L714-K718 WeakPolarHBondContact O-CB 3.34Å; L714-K718 PolarHBondContact O-N 3.24Å
715	N	63.9	Low	57.8	Low	67 Å²	67	109.2 Å²	109.2	36%	0.358	55%	0.55	S	S	.	.	H	α-helix	trans	-78.8	-26.9	-178.6	-152.2	14.9	0	0	0	112.9	F707 E711 Q713 R719	F707-N715 HydrophobicContact CD1-CB 4.32Å; F707-N715 HydrophobicContact CE1-CB 4.41Å; F707-N715 VanDerWaalsContact CE1-ND2 3.27Å; F707-N715 WeakPolarHBondContact CE1-ND2 3.36Å; F707-N715 WeakPolarHBondContact CZ-ND2 3.5Å; E711-N715 WeakPolarHBondContact O-CB 3.44Å; E711-N715 PolarHBondContact O-N 3.11Å; Q713-N715 VanDerWaalsContact C-N 3.35Å; Q713-N715 PolarHBondContact O-N 3.37Å; N715-R719 WeakPolarHBondContact O-CB 3.48Å; N715-R719 PolarHBondContact O-N 2.92Å
716	S	64.7	Low	58.5	Low	70 Å²	70	106.2 Å²	106.2	49%	0.49	54%	0.541	S	S	.	.	H	α-helix	trans	-78.1	-34.7	170.3	62.7	0	0	0	0	112.6	A712 Q713 R719 R720	A712-S716 WeakPolarHBondContact O-CB 3.49Å; A712-S716 PolarHBondContact O-N 3.09Å; A712-S716 PolarHBondContact O-OG 2.96Å; Q713-S716 PolarHBondContact O-N 3.04Å; Q713-S716 PolarHBondContact O-OG 3.38Å; Q713-S716 VanDerWaalsContact O-OG 3.1Å; S716-R719 CarbonylContact O-C 3.57Å; S716-R719 PolarHBondContact O-N 2.84Å; S716-R720 VanDerWaalsContact O-CB 3.26Å; S716-R720 WeakPolarHBondContact O-CB 3.44Å; S716-R720 PolarHBondContact O-N 2.76Å
717	E	66.6	Low	59	Low	112 Å²	112	103.2 Å²	103.2	52%	0.523	54%	0.542	S	S	.	.	H	α-helix	trans	-63.1	-47.5	166.4	-76.5	-148.5	113.9	0	0	110.6	Q713 R719 R720 L721	Q713-E717 VanDerWaalsContact O-CB 3.31Å; Q713-E717 WeakPolarHBondContact O-CB 3.39Å; Q713-E717 WeakPolarHBondContact O-CG 3.19Å; Q713-E717 PolarHBondContact O-N 2.83Å; E717-R719 VanDerWaalsContact C-N 3.3Å; E717-R719 PolarHBondContact O-N 2.84Å; E717-R720 CarbonylContact O-C 3.55Å; E717-R720 PolarHBondContact O-N 2.76Å; E717-R720 VanDerWaalsContact O-N 3.12Å; E717-R720 IonicContact OE1-NH2 2.66Å; E717-R720 PolarHBondContact OE1-NH2 3.11Å; E717-L721 VanDerWaalsContact O-CB 3.28Å; E717-L721 WeakPolarHBondContact O-CB 3.47Å; E717-L721 PolarHBondContact O-N 3.34Å
718	K	68.2	Low	59.3	Low	131 Å²	131	102.1 Å²	102.1	57%	0.57	54%	0.539	S	S	*	.	H	α-helix	trans	-59.5	-40.5	175.4	-169	174.4	-174.2	177.4	0	111.2	L714 Q722	L714-K718 WeakPolarHBondContact O-CB 3.34Å; L714-K718 PolarHBondContact O-N 3.24Å; K718-Q722 WeakPolarHBondContact O-CB 3.35Å; K718-Q722 PolarHBondContact O-N 2.85Å
719	R	63.2	Low	58.8	Low	173 Å²	173	104.8 Å²	104.8	65%	0.653	55%	0.548	S	S	*	.	H	α-helix	trans	-71.1	-32.6	173.9	-171.3	176.5	179.1	-159.8	-2.7	113.2	N715 S716 E717 K723	N715-R719 WeakPolarHBondContact O-CB 3.48Å; N715-R719 PolarHBondContact O-N 2.92Å; S716-R719 CarbonylContact O-C 3.57Å; S716-R719 PolarHBondContact O-N 2.84Å; E717-R719 VanDerWaalsContact C-N 3.3Å; E717-R719 PolarHBondContact O-N 2.84Å; R719-K723 WeakPolarHBondContact O-CB 3.31Å; R719-K723 PolarHBondContact O-N 3.27Å
720	R	66.6	Low	58.2	Low	166 Å²	166	103 Å²	103	63%	0.626	54%	0.544	S	S	*	.	H	α-helix	trans	-69.6	-45.7	173.6	-176.5	177.6	68.9	164.3	-3.7	110.7	S716 E717 Q722 K723 A724	S716-R720 VanDerWaalsContact O-CB 3.26Å; S716-R720 WeakPolarHBondContact O-CB 3.44Å; S716-R720 PolarHBondContact O-N 2.76Å; E717-R720 CarbonylContact O-C 3.55Å; E717-R720 PolarHBondContact O-N 2.76Å; E717-R720 VanDerWaalsContact O-N 3.12Å; E717-R720 IonicContact OE1-NH2 2.66Å; E717-R720 PolarHBondContact OE1-NH2 3.11Å; R720-Q722 VanDerWaalsContact C-N 3.3Å; R720-Q722 PolarHBondContact O-N 3.13Å; R720-K723 PolarHBondContact O-N 2.93Å; R720-A724 WeakPolarHBondContact O-CB 3.36Å; R720-A724 PolarHBondContact O-N 3.34Å
721	L	63.5	Low	57.1	Low	133 Å²	133	100.9 Å²	100.9	70%	0.696	53%	0.533	S	S	*	.	H	α-helix	trans	-61.2	-40.1	173.1	-155	84.8	0	0	0	110.6	E717 A724 A725	E717-L721 VanDerWaalsContact O-CB 3.28Å; E717-L721 WeakPolarHBondContact O-CB 3.47Å; E717-L721 PolarHBondContact O-N 3.34Å; L721-A724 PolarHBondContact O-N 2.99Å; L721-A725 WeakPolarHBondContact O-CB 3.43Å; L721-A725 PolarHBondContact O-N 3.48Å
722	Q	58.9	Low	56	Low	114 Å²	114	105.1 Å²	105.1	53%	0.533	56%	0.559	S	S	.	*	H	α-helix	trans	-72	-36.4	176.5	-169.9	175.6	25.5	0	0	112.7	K718 R720 A725 L726	K718-Q722 WeakPolarHBondContact O-CB 3.35Å; K718-Q722 PolarHBondContact O-N 2.85Å; R720-Q722 VanDerWaalsContact C-N 3.3Å; R720-Q722 PolarHBondContact O-N 3.13Å; Q722-A725 PolarHBondContact O-N 3.46Å; Q722-L726 HydrophobicContact CG-CD1 3.88Å; Q722-L726 HydrophobicContact CG-CG 4.43Å; Q722-L726 VanDerWaalsContact O-CB 3.24Å; Q722-L726 WeakPolarHBondContact O-CB 3.44Å; Q722-L726 VanDerWaalsContact O-CG 3.27Å; Q722-L726 WeakPolarHBondContact O-CG 3.23Å; Q722-L726 PolarHBondContact O-N 2.85Å
723	K	62.4	Low	54.8	Low	71 Å²	71	110.1 Å²	110.1	31%	0.309	58%	0.58	S	S	.	*	H	α-helix	trans	-62.8	-46.1	169.9	-106.1	-174.7	160.7	-97.4	0	111.1	R719 R720 L726 G727 L728 D730	R719-K723 WeakPolarHBondContact O-CB 3.31Å; R719-K723 PolarHBondContact O-N 3.27Å; R720-K723 PolarHBondContact O-N 2.93Å; K723-L726 PolarHBondContact O-N 3.26Å; K723-G727 PolarHBondContact O-N 3.23Å; K723-G727 VanDerWaalsContact O-N 3.12Å; K723-L728 HydrophobicContact CG-CB 4.42Å; K723-L728 PolarHBondContact NZ-O 3.15Å; K723-L728 PolarHBondContact O-N 3.42Å; K723-L728 VanDerWaalsContact O-N 3.1Å; K723-D730 IonicContact NZ-OD2 2.76Å; K723-D730 PolarHBondContact NZ-OD2 2.92Å
724	A	60.7	Low	53.2	Low	79 Å²	79	113.2 Å²	113.2	65%	0.653	60%	0.595	S	S	*	*	H	α-helix	trans	-64	-38.4	176.6	0	0	0	0	0	112.6	R720 L721	R720-A724 WeakPolarHBondContact O-CB 3.36Å; R720-A724 PolarHBondContact O-N 3.34Å; L721-A724 PolarHBondContact O-N 2.99Å
725	A	52	Low	51.7	Low	66 Å²	66	116.4 Å²	116.4	55%	0.545	61%	0.612	S	S	.	*	H	α-helix	trans	-77.6	-20.3	177.4	0	0	0	0	0	114	L721 Q722	L721-A725 WeakPolarHBondContact O-CB 3.43Å; L721-A725 PolarHBondContact O-N 3.48Å; Q722-A725 PolarHBondContact O-N 3.46Å
726	L	55.4	Low	50	Low	108 Å²	108	116.4 Å²	116.4	57%	0.565	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	-2.6	173.4	-73.5	170.6	0	0	0	113.4	Q722 K723 L728	Q722-L726 HydrophobicContact CG-CD1 3.88Å; Q722-L726 HydrophobicContact CG-CG 4.43Å; Q722-L726 VanDerWaalsContact O-CB 3.24Å; Q722-L726 WeakPolarHBondContact O-CB 3.44Å; Q722-L726 VanDerWaalsContact O-CG 3.27Å; Q722-L726 WeakPolarHBondContact O-CG 3.23Å; Q722-L726 PolarHBondContact O-N 2.85Å; K723-L726 PolarHBondContact O-N 3.26Å; L726-L728 HydrophobicContact CB-CD1 4.1Å; L726-L728 WeakPolarHBondContact O-CD1 3.48Å; L726-L728 PolarHBondContact O-N 2.95Å
727	G	45.5	Very low	48.4	Very low	61 Å²	61	121.4 Å²	121.4	63%	0.629	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	71.2	9.1	-177.3	0	0	0	0	0	115.2	K723 Q729	K723-G727 PolarHBondContact O-N 3.23Å; K723-G727 VanDerWaalsContact O-N 3.12Å; G727-Q729 VanDerWaalsContact C-N 3.31Å; G727-Q729 PolarHBondContact O-N 2.96Å
728	L	46.5	Very low	46.7	Very low	54 Å²	54	118.7 Å²	118.7	28%	0.283	65%	0.651	S	S	.	*			trans	-85.5	71.5	177.4	-84.3	86.6	0	0	0	111.9	K723 L726 D730	K723-L728 HydrophobicContact CG-CB 4.42Å; K723-L728 PolarHBondContact NZ-O 3.15Å; K723-L728 PolarHBondContact O-N 3.42Å; K723-L728 VanDerWaalsContact O-N 3.1Å; L726-L728 HydrophobicContact CB-CD1 4.1Å; L726-L728 WeakPolarHBondContact O-CD1 3.48Å; L726-L728 PolarHBondContact O-N 2.95Å; L728-D730 VanDerWaalsContact C-N 3.28Å; L728-D730 PolarHBondContact O-N 3.24Å; L728-D730 VanDerWaalsContact O-N 3.13Å
729	Q	39.6	Very low	45.3	Very low	171 Å²	171	117.6 Å²	117.6	80%	0.799	66%	0.66	S	S	*	*			trans	-68.5	92.4	146.5	-82.5	175.8	-109.7	0	0	108.4	G727 S731	G727-Q729 VanDerWaalsContact C-N 3.31Å; G727-Q729 PolarHBondContact O-N 2.96Å; Q729-S731 PolarHBondContact O-N 2.97Å
730	D	36.6	Very low	44.5	Very low	127 Å²	127	113.8 Å²	113.8	68%	0.679	66%	0.656	S	S	*	*			trans	-78.2	100.4	147.7	-58.1	-63.1	0	0	0	104.6	K723 L728	K723-D730 IonicContact NZ-OD2 2.76Å; K723-D730 PolarHBondContact NZ-OD2 2.92Å; L728-D730 VanDerWaalsContact C-N 3.28Å; L728-D730 PolarHBondContact O-N 3.24Å; L728-D730 VanDerWaalsContact O-N 3.13Å
731	S	33.8	Very low	43.8	Very low	65 Å²	65	109.4 Å²	109.4	46%	0.455	65%	0.645	S	S	.	*			trans	-135.6	93	164.7	49.5	0	0	0	0	108.3	Q729 D733	Q729-S731 PolarHBondContact O-N 2.97Å; S731-D733 PolarHBondContact O-N 2.78Å
732	D	35.3	Very low	43.3	Very low	173 Å²	173	110.1 Å²	110.1	93%	0.925	64%	0.639	S	S	*	*			trans	-62.1	84.9	137.1	-78	-37.4	0	0	0	106
733	D	34.6	Very low	43.2	Very low	144 Å²	144	108.4 Å²	108.4	77%	0.77	63%	0.633	S	S	*	*	S	Bend	trans	-172.8	127.6	163	-90.4	-33	0	0	0	104.9	S731	S731-D733 PolarHBondContact O-N 2.78Å
734	E	33.4	Very low	43.1	Very low	188 Å²	188	108 Å²	108	88%	0.879	64%	0.64	S	S	*	*			trans	-83.1	173.6	-163.1	-62.3	176	119.4	0	0	113.8
735	D	33.8	Very low	43	Very low	171 Å²	171	109.5 Å²	109.5	91%	0.914	63%	0.631	S	S	*	*			trans	67.1	136.6	-178.6	-55.3	-32.6	0	0	0	116.8
736	G	29.2	Very low	43.4	Very low	68 Å²	68	106.9 Å²	106.9	70%	0.701	61%	0.608	S	S	*	*			cis	163.7	104.5	-4.4	0	0	0	0	0	111.6
737	D	29.9	Very low	43.8	Very low	175 Å²	175	108.7 Å²	108.7	94%	0.936	61%	0.613	S	S	*	*			trans	62.9	163.1	-174.8	-159.3	8.8	0	0	0	115
738	G	32.3	Very low	44.5	Very low	54 Å²	54	112.6 Å²	112.6	56%	0.557	62%	0.62	S	S	*	*			trans	115.9	64.5	177.6	0	0	0	0	0	114.9	V740	G738-V740 PolarHBondContact O-N 2.88Å; G738-V740 VanDerWaalsContact O-N 3.07Å
739	S	37.8	Very low	45.1	Very low	109 Å²	109	113.8 Å²	113.8	76%	0.762	63%	0.625	S	S	*	*			trans	-55.6	113.7	160	56	0	0	0	0	109.4	D741	S739-D741 VanDerWaalsContact C-N 3.31Å; S739-D741 PolarHBondContact O-N 2.63Å
740	V	47.7	Very low	46	Very low	93 Å²	93	106.2 Å²	106.2	56%	0.564	59%	0.59	S	S	*	*			trans	-74	85.9	-173.1	-174.5	0	0	0	0	110.4	G738 W742 K745	G738-V740 PolarHBondContact O-N 2.88Å; G738-V740 VanDerWaalsContact O-N 3.07Å; V740-W742 PolarHBondContact O-N 3.45Å; V740-K745 HydrophobicContact CG1-CD 4.1Å
741	D	49.9	Very low	46.9	Very low	74 Å²	74	104 Å²	104	40%	0.396	59%	0.589	S	S	.	*			trans	-63.4	118.9	172	175.3	28.7	0	0	0	110.5	S739 D743 S744 K745	S739-D741 VanDerWaalsContact C-N 3.31Å; S739-D741 PolarHBondContact O-N 2.63Å; D741-D743 PolarHBondContact O-N 2.98Å; D741-D743 WeakPolarHBondContact OD1-CB 3.35Å; D741-D743 PolarHBondContact OD1-N 2.63Å; D741-S744 VanDerWaalsContact OD2-CB 3.24Å; D741-S744 WeakPolarHBondContact OD2-CB 3.38Å; D741-S744 PolarHBondContact OD2-N 2.83Å; D741-S744 PolarHBondContact OD2-OG 2.99Å; D741-K745 WeakPolarHBondContact O-CB 3.45Å; D741-K745 PolarHBondContact O-N 3.3Å; D741-K745 VanDerWaalsContact O-N 3.13Å
742	W	53.4	Low	48.1	Very low	147 Å²	147	102.2 Å²	102.2	56%	0.557	58%	0.576	S	S	*	*	H	α-helix	trans	-69.5	-23.2	176.2	-72.2	104.3	0	0	0	112.3	V740 I746	V740-W742 PolarHBondContact O-N 3.45Å; W742-I746 VanDerWaalsContact O-CB 3.32Å; W742-I746 WeakPolarHBondContact O-CB 3.3Å; W742-I746 WeakPolarHBondContact O-CD1 3.35Å; W742-I746 WeakPolarHBondContact O-CG1 3.24Å; W742-I746 PolarHBondContact O-N 2.93Å
743	D	57.2	Low	49.3	Very low	79 Å²	79	100.2 Å²	100.2	42%	0.422	56%	0.559	S	S	.	*	H	α-helix	trans	-75.8	-52	179.8	-75.9	19.9	0	0	0	109.8	D741 K745 I746 E747 K973	D741-D743 PolarHBondContact O-N 2.98Å; D741-D743 WeakPolarHBondContact OD1-CB 3.35Å; D741-D743 PolarHBondContact OD1-N 2.63Å; D743-K745 VanDerWaalsContact C-N 3.25Å; D743-K745 PolarHBondContact O-N 2.94Å; D743-I746 PolarHBondContact O-N 3.49Å; D743-E747 PolarHBondContact O-N 2.91Å; D743-K973 WeakPolarHBondContact OD1-CE 3.41Å; D743-K973 IonicContact OD1-NZ 3.29Å; D743-K973 PolarHBondContact OD1-NZ 3.48Å; D743-K973 IonicContact OD2-NZ 2.69Å; D743-K973 PolarHBondContact OD2-NZ 3.42Å
744	S	60.8	Low	50.6	Low	63 Å²	63	95.2 Å²	95.2	44%	0.441	53%	0.534	S	S	.	.	H	α-helix	trans	-50.4	-44.3	168.5	-62.7	0	0	0	0	112.3	D741 I746 E747 D748	D741-S744 VanDerWaalsContact OD2-CB 3.24Å; D741-S744 WeakPolarHBondContact OD2-CB 3.38Å; D741-S744 PolarHBondContact OD2-N 2.83Å; D741-S744 PolarHBondContact OD2-OG 2.99Å; S744-I746 VanDerWaalsContact C-N 3.3Å; S744-I746 PolarHBondContact O-N 3.19Å; S744-E747 PolarHBondContact O-N 2.61Å; S744-D748 WeakPolarHBondContact O-CB 3.49Å; S744-D748 PolarHBondContact O-N 3.49Å
745	K	58.8	Low	52.5	Low	109 Å²	109	90.2 Å²	90.2	47%	0.474	51%	0.509	S	S	.	.	H	α-helix	trans	-72.4	-21.5	-179.1	-160.4	163.6	-165.3	158	0	114.1	V740 D741 D743 M749	V740-K745 HydrophobicContact CG1-CD 4.1Å; D741-K745 WeakPolarHBondContact O-CB 3.45Å; D741-K745 PolarHBondContact O-N 3.3Å; D741-K745 VanDerWaalsContact O-N 3.13Å; D743-K745 VanDerWaalsContact C-N 3.25Å; D743-K745 PolarHBondContact O-N 2.94Å; K745-M749 WeakPolarHBondContact O-CG 3.45Å
746	I	60.9	Low	54.2	Low	12 Å²	12	84.8 Å²	84.8	6%	0.062	48%	0.479	C	S	.	.	H	α-helix	trans	-83.2	-37.7	171.6	-76.5	169	0	0	0	110.3	W742 D743 S744 M749 L750 K973 L976	W742-I746 VanDerWaalsContact O-CB 3.32Å; W742-I746 WeakPolarHBondContact O-CB 3.3Å; W742-I746 WeakPolarHBondContact O-CD1 3.35Å; W742-I746 WeakPolarHBondContact O-CG1 3.24Å; W742-I746 PolarHBondContact O-N 2.93Å; D743-I746 PolarHBondContact O-N 3.49Å; S744-I746 VanDerWaalsContact C-N 3.3Å; S744-I746 PolarHBondContact O-N 3.19Å; I746-M749 PolarHBondContact O-N 3.43Å; I746-L750 HydrophobicContact CG2-CD1 3.64Å; I746-L750 WeakPolarHBondContact O-CB 3.34Å; I746-L750 WeakPolarHBondContact O-CD1 3.41Å; I746-L750 WeakPolarHBondContact O-CG 3.42Å; I746-L750 PolarHBondContact O-N 2.89Å; I746-L750 VanDerWaalsContact O-N 3.17Å; I746-K973 HydrophobicContact CD1-CD 4.28Å; I746-K973 HydrophobicContact CD1-CG 3.67Å; I746-L976 HydrophobicContact CD1-CD1 4.43Å
747	E	63.8	Low	56.1	Low	145 Å²	145	87.8 Å²	87.8	68%	0.678	47%	0.473	S	S	*	.	H	α-helix	trans	-65	-44.6	173.7	-68.7	-163.9	148	0	0	112.2	D743 S744 M749 L750	D743-E747 PolarHBondContact O-N 2.91Å; S744-E747 PolarHBondContact O-N 2.61Å; E747-M749 PolarHBondContact O-N 3.23Å; E747-L750 PolarHBondContact O-N 2.8Å
748	D	59.5	Low	57.4	Low	144 Å²	144	83.5 Å²	83.5	77%	0.77	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-31.7	174.3	-93.5	-9.4	0	0	0	112.9	S744	S744-D748 WeakPolarHBondContact O-CB 3.49Å; S744-D748 PolarHBondContact O-N 3.49Å
749	M	58.5	Low	58.5	Low	79 Å²	79	82.4 Å²	82.4	39%	0.389	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-10.7	175	-72.3	-167.3	70.1	0	0	113.6	K745 I746 E747 D898 F899	K745-M749 WeakPolarHBondContact O-CG 3.45Å; I746-M749 PolarHBondContact O-N 3.43Å; E747-M749 PolarHBondContact O-N 3.23Å; M749-D898 HydrophobicContact CE-CB 3.64Å; M749-F899 HydrophobicContact CB-CZ 4.39Å
750	L	58.5	Low	58.7	Low	12 Å²	12	80.8 Å²	80.8	6%	0.063	42%	0.421	C	S	.	.			trans	-106.5	44.5	-175.6	-78.7	168.8	0	0	0	113.1	I746 E747 T752 L894 M969	I746-L750 HydrophobicContact CG2-CD1 3.64Å; I746-L750 WeakPolarHBondContact O-CB 3.34Å; I746-L750 WeakPolarHBondContact O-CD1 3.41Å; I746-L750 WeakPolarHBondContact O-CG 3.42Å; I746-L750 PolarHBondContact O-N 2.89Å; I746-L750 VanDerWaalsContact O-N 3.17Å; E747-L750 PolarHBondContact O-N 2.8Å; L750-T752 VanDerWaalsContact C-N 3.3Å; L750-T752 PolarHBondContact O-N 3.34Å; L750-T752 PolarHBondContact O-OG1 2.92Å; L750-L894 HydrophobicContact CD2-CD1 3.95Å; L750-L894 HydrophobicContact CD2-CD2 3.69Å; L750-L894 HydrophobicContact CD2-CG 3.65Å; L750-M969 HydrophobicContact CD1-CG 3.58Å; L750-M969 HydrophobicContact CD1-SD 3.56Å; L750-M969 VanDerWaalsContact CD1-SD 3.56Å
751	A	55.8	Low	58.5	Low	79 Å²	79	81.4 Å²	81.4	65%	0.653	42%	0.416	S	S	*	.			trans	-56.6	90.9	165.6	0	0	0	0	0	110.8
752	T	58.5	Low	57.9	Low	29 Å²	29	81 Å²	81	18%	0.178	43%	0.429	C	S	.	.			trans	-101.9	137.1	-170.8	21.6	0	0	0	0	110	L750 E892 E893 L894 K965	L750-T752 VanDerWaalsContact C-N 3.3Å; L750-T752 PolarHBondContact O-N 3.34Å; L750-T752 PolarHBondContact O-OG1 2.92Å; T752-E892 WeakPolarHBondContact CB-OE1 3.37Å; T752-E892 HydrophobicContact CG2-CG 4.19Å; T752-E892 WeakPolarHBondContact CG2-OE1 3.05Å; T752-E893 WeakPolarHBondContact CA-O 3.29Å; T752-L894 HydrophobicContact CG2-CB 4.06Å; T752-L894 HydrophobicContact CG2-CD1 4.3Å; T752-L894 HydrophobicContact CG2-CG 4.04Å; T752-K965 PolarHBondContact OG1-NZ 3.18Å
753	K	60.8	Low	57.3	Low	130 Å²	130	80.4 Å²	80.4	57%	0.565	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.2	106.4	177.6	-69.9	-172.2	177.4	-174.3	0	110	E893	K753-E893 HydrophobicContact CB-CB 4.41Å; K753-E893 PolarHBondContact N-O 3.36Å; K753-E893 PolarHBondContact O-N 3.04Å
754	T	63.2	Low	56.3	Low	40 Å²	40	79.3 Å²	79.3	25%	0.245	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	129.1	172.6	51.3	0	0	0	0	111.1	E892	T754-E892 HydrophobicContact CG2-CB 4.41Å; T754-E892 HydrophobicContact CG2-CG 3.95Å
755	K	71.6	Confident	55	Low	83 Å²	83	80.6 Å²	80.6	36%	0.361	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	145.7	169.9	-67	163.8	175.4	169.2	0	108.7	E891 E893	K755-E891 HydrophobicContact CB-CB 4.31Å; K755-E891 PolarHBondContact N-O 3.02Å; K755-E891 PolarHBondContact O-N 2.97Å; K755-E893 IonicContact NZ-OE1 2.72Å; K755-E893 PolarHBondContact NZ-OE1 3.16Å
756	I	70.9	Confident	53.7	Low	56 Å²	56	84.4 Å²	84.4	29%	0.287	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	139.5	168.6	-60.3	-176.2	0	0	0	108.3	Y863 R888 Y890	I756-Y863 HydrophobicContact CD1-CE2 4.26Å; I756-Y863 WeakPolarHBondContact CD1-OH 3.46Å; I756-R888 HydrophobicContact CG2-CG 4.26Å; I756-Y890 HydrophobicContact CD1-CD1 3.74Å; I756-Y890 HydrophobicContact CD1-CE1 3.46Å; I756-Y890 VanDerWaalsContact CD1-CE1 3.46Å; I756-Y890 HydrophobicContact CG1-CD1 3.76Å; I756-Y890 HydrophobicContact CG1-CE1 4Å
757	K	68.3	Low	52.3	Low	131 Å²	131	89 Å²	89	57%	0.57	51%	0.506	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134	107.7	-176.9	-155.3	172.1	-171.1	174.2	0	108.2	V759 R889	K757-V759 HydrophobicContact CG-CG2 4.44Å; K757-R889 PolarHBondContact N-O 3.12Å; K757-R889 PolarHBondContact O-N 3.05Å
758	D	57.2	Low	50.8	Low	85 Å²	85	88.7 Å²	88.7	46%	0.455	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	127.6	169.4	-64.5	-72	0	0	0	108.5	M886 R888	D758-M886 HydrophobicContact CB-SD 4.45Å; D758-R888 WeakPolarHBondContact OD1-CG 3.44Å; D758-R888 IonicContact OD1-CZ 3.62Å; D758-R888 IonicContact OD1-NE 3.66Å; D758-R888 PolarHBondContact OD1-NE 3.04Å; D758-R888 IonicContact OD1-NH2 2.67Å
759	V	55.2	Low	49.4	Very low	31 Å²	31	87.3 Å²	87.3	19%	0.188	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	131	-177.5	-176.1	0	0	0	0	109.5	K757 V887 R889	K757-V759 HydrophobicContact CG-CG2 4.44Å; V759-V887 PolarHBondContact N-O 3.4Å; V759-V887 PolarHBondContact O-N 3.04Å; V759-V887 VanDerWaalsContact O-O 3.11Å; V759-R889 HydrophobicContact CG2-CG 4.12Å
760	S	42.5	Very low	48	Very low	76 Å²	76	92.4 Å²	92.4	53%	0.531	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	134.2	174.3	49.3	0	0	0	0	111.3	G762 N763	S760-G762 PolarHBondContact O-N 3.46Å; S760-N763 PolarHBondContact O-N 3.13Å
761	K	43.5	Very low	46.7	Very low	105 Å²	105	98.5 Å²	98.5	46%	0.457	58%	0.576	S	S	.	*	G	3₁₀ helix	trans	-63.3	-8.5	-168.2	-159.3	168.8	-174.6	175.9	0	116.3	N763 D885 V887	K761-N763 VanDerWaalsContact C-N 3.35Å; K761-N763 PolarHBondContact O-N 3.28Å; K761-D885 HydrophobicContact CB-CB 4.46Å; K761-D885 WeakPolarHBondContact CB-O 3.23Å; K761-D885 HydrophobicContact CD-CB 3.92Å; K761-D885 VanDerWaalsContact CD-OD1 3.24Å; K761-D885 WeakPolarHBondContact CD-OD1 3.42Å; K761-D885 VanDerWaalsContact CD-OD2 3.27Å; K761-D885 WeakPolarHBondContact CD-OD2 3.13Å; K761-D885 WeakPolarHBondContact CE-OD2 3.3Å; K761-D885 PolarHBondContact N-O 2.9Å; K761-D885 IonicContact NZ-OD1 2.67Å; K761-D885 PolarHBondContact NZ-OD1 3.44Å; K761-D885 IonicContact NZ-OD2 3.92Å; K761-D885 PolarHBondContact NZ-OD2 3.36Å; K761-V887 HydrophobicContact CB-CG2 4.13Å; K761-V887 HydrophobicContact CD-CG2 4.02Å; K761-V887 HydrophobicContact CG-CG2 3.85Å
762	G	36.7	Very low	45.5	Very low	65 Å²	65	98.4 Å²	98.4	67%	0.67	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-64.1	-31	176.8	0	0	0	0	0	114.8	S760	S760-G762 PolarHBondContact O-N 3.46Å
763	N	40.7	Very low	44.1	Very low	136 Å²	136	102.7 Å²	102.7	73%	0.727	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-103.8	31.7	-175.8	-67.3	39.4	0	0	0	112.5	S760 K761	S760-N763 PolarHBondContact O-N 3.13Å; K761-N763 VanDerWaalsContact C-N 3.35Å; K761-N763 PolarHBondContact O-N 3.28Å
764	A	37	Very low	42.8	Very low	55 Å²	55	103 Å²	103	46%	0.455	61%	0.606	S	S	.	*	S	Bend	trans	-115.3	-6.8	-171.4	0	0	0	0	0	115.3
765	A	34	Very low	41.2	Very low	90 Å²	90	106.4 Å²	106.4	74%	0.744	63%	0.631	S	S	*	*	S	Bend	trans	-118.7	-17.5	-171.3	0	0	0	0	0	115.5
766	E	30.8	Very low	39.4	Very low	190 Å²	190	106.6 Å²	106.6	89%	0.888	65%	0.648	S	S	*	*	S	Bend	trans	-115.3	65.5	-171.5	-65.5	-174.5	139	0	0	112.4
767	S	30.7	Very low	37.6	Very low	109 Å²	109	113.6 Å²	113.6	76%	0.762	68%	0.68	S	S	*	*	S	Bend	trans	-156.7	25.9	171.2	76.4	0	0	0	0	115.7
768	V	33	Very low	36	Very low	137 Å²	137	110.8 Å²	110.8	83%	0.83	68%	0.681	S	S	*	*	S	Bend	trans	-139.6	35.6	-173.2	-154.2	0	0	0	0	114.3
769	S	30.4	Very low	35.1	Very low	115 Å²	115	109.4 Å²	109.4	80%	0.804	69%	0.687	S	S	*	*	S	Bend	trans	-162.9	43.8	167.9	69.2	0	0	0	0	116.2
770	E	29.5	Very low	34.3	Very low	186 Å²	186	115.7 Å²	115.7	87%	0.869	71%	0.714	S	S	*	*			trans	-153.6	159.2	169.5	-124.9	166.6	-143.1	0	0	113.1
771	T	30.7	Very low	34.3	Very low	140 Å²	140	115.4 Å²	115.4	86%	0.859	72%	0.717	S	S	*	*			trans	82.4	43.1	-172.7	70.1	0	0	0	0	118.6
772	A	29.9	Very low	34.7	Very low	78 Å²	78	115.6 Å²	115.6	65%	0.645	73%	0.726	S	S	*	*	S	Bend	trans	-75.1	134.9	136.2	0	0	0	0	0	109.9	V774	A772-V774 PolarHBondContact O-N 2.92Å
773	E	28.6	Very low	35.1	Very low	118 Å²	118	117.5 Å²	117.5	55%	0.551	73%	0.725	S	S	*	*	S	Bend	trans	60.6	38.1	155.6	-58	-167.6	-126.7	0	0	120.8	N64	N64-E773 VanDerWaalsContact CA-OE1 3.24Å; N64-E773 WeakPolarHBondContact CA-OE1 3.41Å; N64-E773 PolarHBondContact N-OE1 3.09Å; N64-E773 VanDerWaalsContact ND2-CD 3.3Å; N64-E773 PolarHBondContact ND2-OE1 3.27Å
774	V	34.4	Very low	35.6	Very low	138 Å²	138	115.8 Å²	115.8	84%	0.836	72%	0.716	S	S	*	*			trans	-136.6	74.1	162.2	-164.3	0	0	0	0	114.2	A772	A772-V774 PolarHBondContact O-N 2.92Å
775	S	29.7	Very low	36.7	Very low	110 Å²	110	116 Å²	116	77%	0.769	72%	0.718	S	S	*	*			trans	-175.2	75.6	148.2	63.9	0	0	0	0	113
776	A	32.7	Very low	37.7	Very low	87 Å²	87	114.7 Å²	114.7	72%	0.719	71%	0.707	S	S	*	*			trans	-69.5	172.2	158	0	0	0	0	0	110.7	A778	A776-A778 PolarHBondContact O-N 3.1Å; A776-A778 VanDerWaalsContact O-N 3.1Å
777	Q	34.1	Very low	38.8	Very low	204 Å²	204	110 Å²	110	95%	0.953	69%	0.687	S	S	*	*	S	Bend	trans	71.9	-14.5	165.1	-57.7	179.9	-22.2	0	0	119.9
778	A	35.3	Very low	40.4	Very low	72 Å²	72	107.6 Å²	107.6	60%	0.595	67%	0.674	S	S	*	*	S	Bend	trans	-98	-41.9	-178.2	0	0	0	0	0	116.3	A776 Q780	A776-A778 PolarHBondContact O-N 3.1Å; A776-A778 VanDerWaalsContact O-N 3.1Å; A778-Q780 PolarHBondContact O-N 3.44Å
779	G	37.1	Very low	41.8	Very low	56 Å²	56	105.6 Å²	105.6	58%	0.577	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	-21.6	-163.1	0	0	0	0	0	117.3
780	Q	38.5	Very low	43.2	Very low	162 Å²	162	103 Å²	103	76%	0.757	64%	0.644	S	S	*	*	H	α-helix	trans	-84.4	-11.8	-169.6	-79.1	172.5	-39.5	0	0	115.1	A778 N784	A778-Q780 PolarHBondContact O-N 3.44Å; Q780-N784 PolarHBondContact O-ND2 3.01Å
781	A	43.9	Very low	45	Very low	71 Å²	71	102.8 Å²	102.8	59%	0.587	64%	0.635	S	S	*	*	H	α-helix	trans	-75.1	-47.6	176.8	0	0	0	0	0	112.1	A785	A781-A785 WeakPolarHBondContact O-CB 3.45Å; A781-A785 PolarHBondContact O-N 3.01Å
782	V	50	Low	46.6	Very low	108 Å²	108	102 Å²	102	66%	0.655	62%	0.622	S	S	*	*	H	α-helix	trans	-69.7	-44.1	-170.1	-174.8	0	0	0	0	112.1	N784 A785 A786	V782-N784 PolarHBondContact O-N 3.35Å; V782-A785 PolarHBondContact O-N 2.58Å; V782-A786 WeakPolarHBondContact O-CB 3.45Å; V782-A786 PolarHBondContact O-N 3.39Å
783	V	46.4	Very low	48.2	Very low	105 Å²	105	105 Å²	105	64%	0.636	62%	0.62	S	S	*	*	H	α-helix	trans	-65.6	-40.8	179.9	-177.7	0	0	0	0	111.3	L787	V783-L787 WeakPolarHBondContact O-CB 3.25Å; V783-L787 PolarHBondContact O-N 3.03Å
784	N	51.5	Low	49.4	Very low	100 Å²	100	102.6 Å²	102.6	54%	0.535	62%	0.62	S	S	.	*	H	α-helix	trans	-69.5	-38	176.4	-77	-43.8	0	0	0	112.3	Q780 V782 L787 A788	Q780-N784 PolarHBondContact O-ND2 3.01Å; V782-N784 PolarHBondContact O-N 3.35Å; N784-L787 PolarHBondContact O-N 3.4Å; N784-A788 VanDerWaalsContact O-CB 3.26Å; N784-A788 WeakPolarHBondContact O-CB 3.49Å; N784-A788 PolarHBondContact O-N 3.5Å
785	A	59.8	Low	50.5	Low	61 Å²	61	99.3 Å²	99.3	50%	0.504	61%	0.608	S	S	.	*	H	α-helix	trans	-62.8	-44.5	174.3	0	0	0	0	0	111.9	A781 V782 A788 L789	A781-A785 WeakPolarHBondContact O-CB 3.45Å; A781-A785 PolarHBondContact O-N 3.01Å; V782-A785 PolarHBondContact O-N 2.58Å; A785-A788 PolarHBondContact O-N 3Å; A785-L789 WeakPolarHBondContact O-CB 3.49Å; A785-L789 PolarHBondContact O-N 3.35Å
786	A	54.5	Low	51.7	Low	62 Å²	62	100.7 Å²	100.7	51%	0.512	60%	0.602	S	S	.	*	H	α-helix	trans	-61.2	-45.4	175.8	0	0	0	0	0	112.1	V782 A788 L789 A790	V782-A786 WeakPolarHBondContact O-CB 3.45Å; V782-A786 PolarHBondContact O-N 3.39Å; A786-A788 PolarHBondContact O-N 3.33Å; A786-L789 PolarHBondContact O-N 2.98Å; A786-A790 WeakPolarHBondContact O-CB 3.27Å; A786-A790 PolarHBondContact O-N 2.77Å
787	L	54	Low	52.4	Low	91 Å²	91	104.1 Å²	104.1	48%	0.476	61%	0.607	S	S	.	*	H	α-helix	trans	-65.6	-37.7	177.5	-161.5	82	0	0	0	112.3	V783 N784 R791	V783-L787 WeakPolarHBondContact O-CB 3.25Å; V783-L787 PolarHBondContact O-N 3.03Å; N784-L787 PolarHBondContact O-N 3.4Å; L787-R791 WeakPolarHBondContact O-CB 3.45Å; L787-R791 WeakPolarHBondContact O-CG 3.44Å; L787-R791 PolarHBondContact O-N 3.41Å
788	A	64.3	Low	52.9	Low	58 Å²	58	97.6 Å²	97.6	48%	0.479	60%	0.595	S	S	.	*	H	α-helix	trans	-66.6	-44.6	176.6	0	0	0	0	0	111.9	N784 A785 A786 R791 Q792	N784-A788 VanDerWaalsContact O-CB 3.26Å; N784-A788 WeakPolarHBondContact O-CB 3.49Å; N784-A788 PolarHBondContact O-N 3.5Å; A785-A788 PolarHBondContact O-N 3Å; A786-A788 PolarHBondContact O-N 3.33Å; A788-R791 PolarHBondContact O-N 3.23Å; A788-Q792 WeakPolarHBondContact O-CB 3.29Å; A788-Q792 PolarHBondContact O-N 3.39Å
789	L	63.3	Low	53.2	Low	95 Å²	95	101.6 Å²	101.6	50%	0.497	61%	0.606	S	S	.	*	H	α-helix	trans	-68.2	-37.6	179	-149.9	165.3	0	0	0	111.2	A785 A786 Q792 K793	A785-L789 WeakPolarHBondContact O-CB 3.49Å; A785-L789 PolarHBondContact O-N 3.35Å; A786-L789 PolarHBondContact O-N 2.98Å; L789-Q792 PolarHBondContact O-N 2.87Å; L789-K793 HydrophobicContact CD2-CD 4.1Å; L789-K793 HydrophobicContact CD2-CG 4.23Å; L789-K793 PolarHBondContact O-N 3.07Å
790	A	60	Low	53.3	Low	61 Å²	61	104.9 Å²	104.9	50%	0.504	62%	0.615	S	S	.	*	H	α-helix	trans	-60.9	-46.1	170.7	0	0	0	0	0	112.1	A786 Q792 K793 A794	A786-A790 WeakPolarHBondContact O-CB 3.27Å; A786-A790 PolarHBondContact O-N 2.77Å; A790-Q792 PolarHBondContact O-N 3.09Å; A790-K793 PolarHBondContact O-N 3.14Å; A790-A794 WeakPolarHBondContact O-CB 3.35Å; A790-A794 PolarHBondContact O-N 2.9Å
791	R	66	Low	53.2	Low	182 Å²	182	107.1 Å²	107.1	69%	0.687	62%	0.622	S	S	*	*	H	α-helix	trans	-62.3	-38.9	174.1	-78	176.3	172.4	-179.1	-2.2	112.5	L787 A788 A794 A795	L787-R791 WeakPolarHBondContact O-CB 3.45Å; L787-R791 WeakPolarHBondContact O-CG 3.44Å; L787-R791 PolarHBondContact O-N 3.41Å; A788-R791 PolarHBondContact O-N 3.23Å; R791-A794 PolarHBondContact O-N 3.42Å; R791-A795 WeakPolarHBondContact O-CB 3.39Å; R791-A795 PolarHBondContact O-N 3.1Å
792	Q	65.3	Low	52.7	Low	124 Å²	124	110.9 Å²	110.9	58%	0.579	63%	0.632	S	S	*	*	H	α-helix	trans	-68.2	-41.5	179.7	-163.7	175.8	28.5	0	0	112	A788 L789 A790 A795 Q796	A788-Q792 WeakPolarHBondContact O-CB 3.29Å; A788-Q792 PolarHBondContact O-N 3.39Å; L789-Q792 PolarHBondContact O-N 2.87Å; A790-Q792 PolarHBondContact O-N 3.09Å; Q792-A795 PolarHBondContact O-N 3.26Å; Q792-Q796 WeakPolarHBondContact O-CG 3.45Å; Q792-Q796 PolarHBondContact O-N 2.98Å; Q792-Q796 VanDerWaalsContact O-N 3.12Å
793	K	62	Low	52	Low	139 Å²	139	112.9 Å²	112.9	60%	0.604	64%	0.638	S	S	*	*	H	α-helix	trans	-66	-38.9	172.3	-79.1	-174.1	172.9	-176.9	0	112.6	L789 A790	L789-K793 HydrophobicContact CD2-CD 4.1Å; L789-K793 HydrophobicContact CD2-CG 4.23Å; L789-K793 PolarHBondContact O-N 3.07Å; A790-K793 PolarHBondContact O-N 3.14Å
794	A	55.6	Low	51.5	Low	68 Å²	68	113.9 Å²	113.9	56%	0.562	65%	0.645	S	S	*	*	H	α-helix	trans	-63.8	-41.1	174.3	0	0	0	0	0	112.1	A790 R791 L797	A790-A794 WeakPolarHBondContact O-CB 3.35Å; A790-A794 PolarHBondContact O-N 2.9Å; R791-A794 PolarHBondContact O-N 3.42Å; A794-L797 PolarHBondContact O-N 3.26Å
795	A	57.6	Low	50.8	Low	70 Å²	70	114.9 Å²	114.9	58%	0.579	66%	0.66	S	S	*	*	H	α-helix	trans	-66.3	-38.2	178.7	0	0	0	0	0	113.1	R791 Q792 L797 G798	R791-A795 WeakPolarHBondContact O-CB 3.39Å; R791-A795 PolarHBondContact O-N 3.1Å; Q792-A795 PolarHBondContact O-N 3.26Å; A795-L797 VanDerWaalsContact C-N 3.3Å; A795-L797 PolarHBondContact O-N 3.42Å; A795-G798 PolarHBondContact O-N 3.46Å
796	Q	54.4	Low	49.5	Very low	138 Å²	138	115.7 Å²	115.7	65%	0.645	67%	0.674	S	S	*	*	H	α-helix	trans	-67.8	-26	179.7	-76.4	-177.6	-15.5	0	0	113.8	Q792 G798	Q792-Q796 WeakPolarHBondContact O-CG 3.45Å; Q792-Q796 PolarHBondContact O-N 2.98Å; Q792-Q796 VanDerWaalsContact O-N 3.12Å; Q796-G798 VanDerWaalsContact C-N 3.28Å; Q796-G798 PolarHBondContact O-N 3.4Å
797	L	47.9	Very low	48.6	Very low	159 Å²	159	119.5 Å²	119.5	83%	0.832	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-10.8	177.1	-75.5	164.7	0	0	0	113.8	A794 A795	A794-L797 PolarHBondContact O-N 3.26Å; A795-L797 VanDerWaalsContact C-N 3.3Å; A795-L797 PolarHBondContact O-N 3.42Å
798	G	44.6	Very low	47.8	Very low	68 Å²	68	120.5 Å²	120.5	70%	0.701	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	-3.4	-178.7	0	0	0	0	0	116.1	A795 Q796	A795-G798 PolarHBondContact O-N 3.46Å; Q796-G798 VanDerWaalsContact C-N 3.28Å; Q796-G798 PolarHBondContact O-N 3.4Å
799	L	41.8	Very low	46.5	Very low	156 Å²	156	124.8 Å²	124.8	82%	0.817	72%	0.723	S	S	*	*			trans	-128.6	30.1	-159.5	-148.4	75.8	0	0	0	116.4
800	V	39.1	Very low	45.4	Very low	125 Å²	125	126.6 Å²	126.6	76%	0.758	74%	0.738	S	S	*	*	S	Bend	trans	-136.5	73.6	175.2	-166.7	0	0	0	0	113.4
801	K	35	Very low	44.3	Very low	209 Å²	209	128.8 Å²	128.8	91%	0.909	75%	0.747	S	S	*	*				173.3	117.9	129.4	-98.2	167.7	-178.4	177.6	0	111.8
802	N	34.1	Very low	42.9	Very low	149 Å²	149	128.7 Å²	128.7	80%	0.797	75%	0.754	S	S	*	*			trans	-151.3	155.5	164.4	-160.4	-4.2	0	0	0	108
803	L	35.3	Very low	41.7	Very low	150 Å²	150	127.7 Å²	127.7	79%	0.785	76%	0.759	S	S	*	*			trans	65.4	148.1	-167.5	-56.2	70.9	0	0	0	112.3
804	T	36.1	Very low	40.4	Very low	127 Å²	127	126.1 Å²	126.1	78%	0.779	77%	0.765	S	S	*	*			cis	-136.5	153.3	13.2	48.3	0	0	0	0	113.9
805	S	35.6	Very low	39.6	Very low	121 Å²	121	127.3 Å²	127.3	85%	0.846	78%	0.775	S	S	*	*			trans	-29.2	148.6	164	53.4	0	0	0	0	121
806	G	33.7	Very low	38.7	Very low	78 Å²	78	130.7 Å²	130.7	80%	0.804	79%	0.788	S	S	*	*			trans	175	115	158.1	0	0	0	0	0	114.4
807	T	35.8	Very low	37.8	Very low	142 Å²	142	129.6 Å²	129.6	87%	0.871	79%	0.79	S	S	*	*			trans	-107.4	-176.3	-173.5	59.7	0	0	0	0	112.2
808	P	37.4	Very low	37.1	Very low	112 Å²	112	128.6 Å²	128.6	73%	0.727	79%	0.786	S	S	*	*				-134.2	163.5	-86.6	39.9	-22.3	0	0	0	115.9
809	T	35.6	Very low	36.5	Very low	148 Å²	148	130.8 Å²	130.8	91%	0.908	79%	0.786	S	S	*	*			trans	-154.7	168.1	164.5	12.9	0	0	0	0	114.5
810	V	40.3	Very low	36	Very low	133 Å²	133	129 Å²	129	81%	0.806	78%	0.782	S	S	*	*			trans	-146.3	159.6	-161.9	162.1	0	0	0	0	107.2
811	P	38.4	Very low	35.6	Very low	107 Å²	107	128.7 Å²	128.7	70%	0.695	78%	0.78	S	S	*	*			cis	-134.4	-177.8	10.8	25.9	0.5	0	0	0	118
812	Q	35.1	Very low	35.4	Very low	179 Å²	179	124.9 Å²	124.9	84%	0.836	77%	0.774	S	S	*	*			trans	7.4	175.2	138.6	-61.7	-171.1	-23.6	0	0	123.3
813	P	39.8	Very low	35.3	Very low	104 Å²	104	122 Å²	122	68%	0.675	77%	0.766	S	S	*	*			cis	-129.7	-177	-31.5	28.3	-6.5	0	0	0	112.5
814	S	36.5	Very low	35.2	Very low	106 Å²	106	122.1 Å²	122.1	74%	0.741	77%	0.767	S	S	*	*				164.5	169.5	95.3	-66.8	0	0	0	0	112.7
815	A	38	Very low	35.4	Very low	92 Å²	92	121.2 Å²	121.2	76%	0.76	77%	0.766	S	S	*	*			trans	70.2	112.7	171.5	0	0	0	0	0	116.2
816	V	38	Very low	35.5	Very low	142 Å²	142	122.2 Å²	122.2	86%	0.861	76%	0.762	S	S	*	*				98.5	138	54.1	156.4	0	0	0	0	111.6
817	V	35.6	Very low	35.7	Very low	114 Å²	114	124.5 Å²	124.5	69%	0.691	76%	0.761	S	S	*	*			cis	-178.4	149.4	-38.3	128.4	0	0	0	0	107.9
818	N	34.5	Very low	35.7	Very low	138 Å²	138	121.4 Å²	121.4	74%	0.738	76%	0.757	S	S	*	*			trans	66.5	105.1	165.1	-71.4	-2.6	0	0	0	122.9
819	T	31	Very low	35.6	Very low	115 Å²	115	124.6 Å²	124.6	71%	0.706	77%	0.766	S	S	*	*				37.6	135.5	105.8	-20.1	0	0	0	0	122.9
820	T	30.8	Very low	35.5	Very low	118 Å²	118	121.9 Å²	121.9	72%	0.724	76%	0.759	S	S	*	*			trans	87.6	146.1	141.3	16.4	0	0	0	0	123.5
821	T	30.7	Very low	35.2	Very low	119 Å²	119	120.3 Å²	120.3	73%	0.73	76%	0.759	S	S	*	*			trans	75.6	103	149.1	43.8	0	0	0	0	122.9
822	V	32.3	Very low	35	Very low	128 Å²	128	119.5 Å²	119.5	78%	0.776	76%	0.762	S	S	*	*				74.1	151.1	118.6	177.2	0	0	0	0	120
823	S	31.9	Very low	34.9	Very low	90 Å²	90	118.1 Å²	118.1	63%	0.629	77%	0.765	S	S	*	*			trans	77.8	117.8	159.3	41.1	0	0	0	0	121.5
824	D	33.3	Very low	34.6	Very low	151 Å²	151	118.2 Å²	118.2	81%	0.807	77%	0.774	S	S	*	*				100.4	144.8	122.8	-68.8	4.5	0	0	0	123.7
825	S	39.4	Very low	34.5	Very low	109 Å²	109	117.6 Å²	117.6	76%	0.762	78%	0.776	S	S	*	*			trans	79	139.3	164.5	85.5	0	0	0	0	116.7
826	N	38.5	Very low	34.5	Very low	141 Å²	141	119.3 Å²	119.3	75%	0.754	78%	0.777	S	S	*	*			cis	-160.1	175.4	-4.1	-137.5	-27.4	0	0	0	115.1
827	T	37.6	Very low	34.4	Very low	127 Å²	127	118.1 Å²	118.1	78%	0.779	77%	0.77	S	S	*	*			trans	67.2	100.7	154.8	50.4	0	0	0	0	122
828	G	35.9	Very low	34.3	Very low	76 Å²	76	119.7 Å²	119.7	78%	0.784	77%	0.773	S	S	*	*				84.7	149.3	128.4	0	0	0	0	0	119.2
829	I	35.6	Very low	34.5	Very low	180 Å²	180	119 Å²	119	92%	0.923	78%	0.776	S	S	*	*			cis	-144.2	154.3	-7.9	-46.7	175.6	0	0	0	107.5
830	A	33.1	Very low	34.7	Very low	91 Å²	91	119.5 Å²	119.5	75%	0.752	78%	0.778	S	S	*	*			trans	-112	-179.5	-174	0	0	0	0	0	114.4
831	A	33.6	Very low	35.2	Very low	99 Å²	99	119 Å²	119	82%	0.818	78%	0.777	S	S	*	*			trans	70	137.3	175.1	0	0	0	0	0	116.1
832	A	34.2	Very low	35.7	Very low	91 Å²	91	119.2 Å²	119.2	75%	0.752	78%	0.781	S	S	*	*			cis	105	121.1	19.2	0	0	0	0	0	115
833	V	32	Very low	36.2	Very low	150 Å²	150	117.3 Å²	117.3	91%	0.909	78%	0.779	S	S	*	*			trans	48.4	98.2	154	-168.6	0	0	0	0	118.8
834	A	34.8	Very low	37.1	Very low	105 Å²	105	116.9 Å²	116.9	87%	0.868	77%	0.773	S	S	*	*			trans	-162.3	157.4	142	0	0	0	0	0	110.7
835	A	34.6	Very low	37.9	Very low	93 Å²	93	113.9 Å²	113.9	77%	0.769	76%	0.761	S	S	*	*			trans	-110.7	-175.2	-172.5	0	0	0	0	0	113.8
836	V	36.6	Very low	38.6	Very low	128 Å²	128	113.8 Å²	113.8	78%	0.776	76%	0.76	S	S	*	*			trans	104.6	126.2	156.7	-169.1	0	0	0	0	118.1
837	T	36.9	Very low	40	Very low	117 Å²	117	116 Å²	116	72%	0.718	76%	0.758	S	S	*	*			trans	60.3	94.3	163.5	48.1	0	0	0	0	122.7
838	I	33.2	Very low	41.5	Very low	147 Å²	147	112.7 Å²	112.7	75%	0.754	74%	0.737	S	S	*	*				37.8	118.2	102.6	-60.3	168	0	0	0	116.5	V840	I838-V840 HydrophobicContact CG2-CG2 4.36Å
839	P	37.8	Very low	42.8	Very low	125 Å²	125	113.9 Å²	113.9	81%	0.812	73%	0.726	S	S	*	*				-118.1	156.7	93.6	-7.6	27.4	0	0	0	115.2
840	V	35.3	Very low	44.3	Very low	124 Å²	124	108 Å²	108	75%	0.752	70%	0.704	S	S	*	*			trans	-112	118.9	-179.9	173.9	0	0	0	0	111.6	I838	I838-V840 HydrophobicContact CG2-CG2 4.36Å
841	P	42.3	Very low	46.1	Very low	107 Å²	107	108.4 Å²	108.4	70%	0.695	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-88.3	164.6	153.2	13.4	5.2	0	0	0	111
842	P	42	Very low	47.9	Very low	125 Å²	125	108.6 Å²	108.6	81%	0.812	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-69	148.5	-156.8	26.1	-35.7	0	0	0	115.3
843	A	42	Very low	49.6	Very low	88 Å²	88	106.6 Å²	106.6	73%	0.727	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-61.8	140.4	177.7	0	0	0	0	0	112	T845	A843-T845 PolarHBondContact O-N 3.19Å
844	P	49.9	Very low	51.5	Low	80 Å²	80	101.5 Å²	101.5	52%	0.519	63%	0.631	S	S	.	*	P	Polyproline II helix	trans	-62.2	130.6	172.5	26.7	-33.3	0	0	0	109.7	T848 L849	P844-T848 WeakPolarHBondContact CB-OG1 3.38Å; P844-L849 HydrophobicContact CG-CD1 4.4Å
845	T	51.2	Low	53.2	Low	89 Å²	89	102.8 Å²	102.8	55%	0.546	62%	0.619	S	S	.	*	P	Polyproline II helix	trans	-52.9	151.9	174.3	54	0	0	0	0	111.6	A843 R847 T848 L849	A843-T845 PolarHBondContact O-N 3.19Å; T845-R847 PolarHBondContact O-N 3.46Å; T845-T848 PolarHBondContact N-OG1 2.91Å; T845-T848 PolarHBondContact O-N 2.74Å; T845-T848 PolarHBondContact O-OG1 3.38Å; T845-T848 VanDerWaalsContact O-OG1 3.09Å; T845-T848 PolarHBondContact OG1-N 3.18Å; T845-T848 PolarHBondContact OG1-OG1 3.41Å; T845-T848 VanDerWaalsContact OG1-OG1 3.11Å; T845-L849 PolarHBondContact O-N 2.69Å
846	S	53.6	Low	54.9	Low	106 Å²	106	107 Å²	107	74%	0.741	62%	0.615	S	S	*	*	H	α-helix	trans	-51.2	-28.5	174.4	50.4	0	0	0	0	113.4	A850	S846-A850 WeakPolarHBondContact O-CB 3.23Å; S846-A850 PolarHBondContact O-N 2.98Å
847	R	68	Low	56.3	Low	187 Å²	187	105.7 Å²	105.7	71%	0.706	60%	0.603	S	S	*	*	H	α-helix	trans	-64.1	-54.1	173.8	-161.6	176.4	-161.6	139.9	4.9	112.8	T845 L849 A850 E851	T845-R847 PolarHBondContact O-N 3.46Å; R847-L849 VanDerWaalsContact C-N 3.33Å; R847-L849 PolarHBondContact O-N 3.09Å; R847-A850 CarbonylContact O-C 3.58Å; R847-A850 PolarHBondContact O-N 3.31Å; R847-E851 WeakPolarHBondContact O-CB 3.35Å; R847-E851 WeakPolarHBondContact O-CG 3.38Å; R847-E851 PolarHBondContact O-N 2.93Å
848	T	68.5	Low	57.8	Low	58 Å²	58	103 Å²	103	36%	0.356	58%	0.584	S	S	.	*	H	α-helix	trans	-70.3	-28.8	179	46.8	0	0	0	0	113.2	P844 T845 E851 Q852	P844-T848 WeakPolarHBondContact CB-OG1 3.38Å; T845-T848 PolarHBondContact N-OG1 2.91Å; T845-T848 PolarHBondContact O-N 2.74Å; T845-T848 PolarHBondContact O-OG1 3.38Å; T845-T848 VanDerWaalsContact O-OG1 3.09Å; T845-T848 PolarHBondContact OG1-N 3.18Å; T845-T848 PolarHBondContact OG1-OG1 3.41Å; T845-T848 VanDerWaalsContact OG1-OG1 3.11Å; T848-E851 PolarHBondContact O-N 3.45Å; T848-Q852 PolarHBondContact O-N 3.18Å
849	L	64.2	Low	59.2	Low	102 Å²	102	99.9 Å²	99.9	53%	0.534	58%	0.581	S	S	.	*	H	α-helix	trans	-70.2	-38.9	171.8	-136.3	167.9	0	0	0	111.3	P844 T845 R847 A853	P844-L849 HydrophobicContact CG-CD1 4.4Å; T845-L849 PolarHBondContact O-N 2.69Å; R847-L849 VanDerWaalsContact C-N 3.33Å; R847-L849 PolarHBondContact O-N 3.09Å; L849-A853 WeakPolarHBondContact O-CB 3.47Å; L849-A853 PolarHBondContact O-N 3.1Å
850	A	66	Low	60.2	Low	57 Å²	57	103.1 Å²	103.1	47%	0.471	58%	0.582	S	S	.	*	H	α-helix	trans	-68.8	-35.9	171.6	0	0	0	0	0	112.6	S846 R847 A853 A854	S846-A850 WeakPolarHBondContact O-CB 3.23Å; S846-A850 PolarHBondContact O-N 2.98Å; R847-A850 CarbonylContact O-C 3.58Å; R847-A850 PolarHBondContact O-N 3.31Å; A850-A853 PolarHBondContact O-N 3.29Å; A850-A854 VanDerWaalsContact O-CB 3.24Å; A850-A854 WeakPolarHBondContact O-CB 3.23Å; A850-A854 PolarHBondContact O-N 2.95Å
851	E	72	Confident	61.2	Low	99 Å²	99	102.2 Å²	102.2	46%	0.463	57%	0.573	S	S	.	*	H	α-helix	trans	-66.3	-45.1	175	-75.3	162.2	160.3	0	0	111.2	R847 T848 A853 A854 E855	R847-E851 WeakPolarHBondContact O-CB 3.35Å; R847-E851 WeakPolarHBondContact O-CG 3.38Å; R847-E851 PolarHBondContact O-N 2.93Å; T848-E851 PolarHBondContact O-N 3.45Å; E851-A853 VanDerWaalsContact C-N 3.32Å; E851-A853 PolarHBondContact O-N 3.08Å; E851-A854 CarbonylContact O-C 3.56Å; E851-A854 PolarHBondContact O-N 2.78Å; E851-E855 WeakPolarHBondContact O-CG 3.47Å; E851-E855 PolarHBondContact O-N 3.4Å
852	Q	71.5	Confident	61.1	Low	103 Å²	103	98.7 Å²	98.7	48%	0.481	56%	0.556	S	S	.	*	H	α-helix	trans	-64.9	-33.3	172.7	-74	-172.3	-3.7	0	0	113.3	T848 R856	T848-Q852 PolarHBondContact O-N 3.18Å; Q852-R856 WeakPolarHBondContact O-CB 3.4Å; Q852-R856 VanDerWaalsContact O-CG 3.3Å; Q852-R856 WeakPolarHBondContact O-CG 3.19Å; Q852-R856 PolarHBondContact O-N 2.97Å
853	A	69.1	Low	61.2	Low	49 Å²	49	97.8 Å²	97.8	41%	0.405	54%	0.537	S	S	.	.	H	α-helix	trans	-67.8	-40.7	172.4	0	0	0	0	0	111.5	L849 A850 E851 R856 L857	L849-A853 WeakPolarHBondContact O-CB 3.47Å; L849-A853 PolarHBondContact O-N 3.1Å; A850-A853 PolarHBondContact O-N 3.29Å; E851-A853 VanDerWaalsContact C-N 3.32Å; E851-A853 PolarHBondContact O-N 3.08Å; A853-R856 PolarHBondContact O-N 2.87Å; A853-L857 WeakPolarHBondContact O-CB 3.07Å; A853-L857 PolarHBondContact O-N 3.36Å
854	A	71.8	Confident	61.3	Low	43 Å²	43	98.8 Å²	98.8	36%	0.355	53%	0.534	S	S	.	.	H	α-helix	trans	-68.9	-37	176.2	0	0	0	0	0	112.3	A850 E851 L857 N858	A850-A854 VanDerWaalsContact O-CB 3.24Å; A850-A854 WeakPolarHBondContact O-CB 3.23Å; A850-A854 PolarHBondContact O-N 2.95Å; E851-A854 CarbonylContact O-C 3.56Å; E851-A854 PolarHBondContact O-N 2.78Å; A854-L857 PolarHBondContact O-N 3.31Å; A854-N858 VanDerWaalsContact O-CB 3.3Å; A854-N858 WeakPolarHBondContact O-CB 3.34Å; A854-N858 PolarHBondContact O-N 3.49Å; A854-N858 PolarHBondContact O-ND2 3.41Å; A854-N858 PolarHBondContact O-OD1 3.41Å
855	E	71	Confident	60.7	Low	131 Å²	131	103.8 Å²	103.8	61%	0.612	55%	0.548	S	S	*	.	H	α-helix	trans	-65.9	-41.4	172.3	-75.1	-176.6	145.2	0	0	111.6	E851 L857 N858 A859	E851-E855 WeakPolarHBondContact O-CG 3.47Å; E851-E855 PolarHBondContact O-N 3.4Å; E855-L857 VanDerWaalsContact C-N 3.32Å; E855-L857 PolarHBondContact O-N 2.9Å; E855-N858 PolarHBondContact O-N 3.4Å; E855-A859 VanDerWaalsContact O-CB 3.26Å; E855-A859 WeakPolarHBondContact O-CB 2.96Å; E855-A859 PolarHBondContact O-N 3.02Å
856	R	69.9	Low	60	Low	181 Å²	181	108.3 Å²	108.3	68%	0.683	56%	0.563	S	S	*	*	H	α-helix	trans	-64.7	-35.2	172.5	-74.8	172.6	176.1	161.3	1.5	112.6	Q852 A853 K860	Q852-R856 WeakPolarHBondContact O-CB 3.4Å; Q852-R856 VanDerWaalsContact O-CG 3.3Å; Q852-R856 WeakPolarHBondContact O-CG 3.19Å; Q852-R856 PolarHBondContact O-N 2.97Å; A853-R856 PolarHBondContact O-N 2.87Å; R856-K860 PolarHBondContact O-N 3.03Å; R856-K860 VanDerWaalsContact O-N 3.09Å
857	L	66.6	Low	59	Low	101 Å²	101	109.6 Å²	109.6	53%	0.529	57%	0.566	S	S	.	*	H	α-helix	trans	-67.8	-49.6	172.2	-104.7	162.6	0	0	0	111.5	A853 A854 E855 A859 K860 L861	A853-L857 WeakPolarHBondContact O-CB 3.07Å; A853-L857 PolarHBondContact O-N 3.36Å; A854-L857 PolarHBondContact O-N 3.31Å; E855-L857 VanDerWaalsContact C-N 3.32Å; E855-L857 PolarHBondContact O-N 2.9Å; L857-A859 VanDerWaalsContact C-N 3.29Å; L857-A859 PolarHBondContact O-N 2.9Å; L857-K860 CarbonylContact O-C 3.59Å; L857-K860 WeakPolarHBondContact O-CA 3.36Å; L857-K860 PolarHBondContact O-N 3.12Å; L857-K860 VanDerWaalsContact O-N 3.07Å; L857-L861 HydrophobicContact CD2-CD1 3.88Å; L857-L861 HydrophobicContact CD2-CG 4.38Å; L857-L861 WeakPolarHBondContact O-CB 3.17Å; L857-L861 VanDerWaalsContact O-CG 3.26Å; L857-L861 WeakPolarHBondContact O-CG 3.38Å; L857-L861 PolarHBondContact O-N 3.03Å
858	N	67.3	Low	57.5	Low	60 Å²	60	106.1 Å²	106.1	32%	0.321	57%	0.568	S	S	.	*	H	α-helix	trans	-59.3	-39.5	177.3	-70.2	-18.8	0	0	0	111.8	A854 E855 L861 G862 Y863	A854-N858 VanDerWaalsContact O-CB 3.3Å; A854-N858 WeakPolarHBondContact O-CB 3.34Å; A854-N858 PolarHBondContact O-N 3.49Å; A854-N858 PolarHBondContact O-ND2 3.41Å; A854-N858 PolarHBondContact O-OD1 3.41Å; E855-N858 PolarHBondContact O-N 3.4Å; N858-L861 CarbonylContact O-C 3.57Å; N858-L861 PolarHBondContact O-N 2.83Å; N858-G862 PolarHBondContact O-N 3.23Å; N858-Y863 PolarHBondContact O-N 2.91Å
859	A	63.2	Low	55.7	Low	82 Å²	82	107.3 Å²	107.3	68%	0.678	59%	0.592	S	S	*	*	H	α-helix	trans	-65.1	-40.5	173.7	0	0	0	0	0	112.4	E855 L857 L861	E855-A859 VanDerWaalsContact O-CB 3.26Å; E855-A859 WeakPolarHBondContact O-CB 2.96Å; E855-A859 PolarHBondContact O-N 3.02Å; L857-A859 VanDerWaalsContact C-N 3.29Å; L857-A859 PolarHBondContact O-N 2.9Å; A859-L861 VanDerWaalsContact C-N 3.32Å
860	K	59.7	Low	54.2	Low	193 Å²	193	107.8 Å²	107.8	84%	0.839	61%	0.611	S	S	*	*	H	α-helix	trans	-70.2	-24	172	-88.5	-163.6	166.2	-162.6	0	114	R856 L857	R856-K860 PolarHBondContact O-N 3.03Å; R856-K860 VanDerWaalsContact O-N 3.09Å; L857-K860 CarbonylContact O-C 3.59Å; L857-K860 WeakPolarHBondContact O-CA 3.36Å; L857-K860 PolarHBondContact O-N 3.12Å; L857-K860 VanDerWaalsContact O-N 3.07Å
861	L	56.3	Low	52.6	Low	105 Å²	105	108 Å²	108	55%	0.55	62%	0.619	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.9	5.4	-179.2	-67.9	170.4	0	0	0	113.4	L857 N858 A859 Y863	L857-L861 HydrophobicContact CD2-CD1 3.88Å; L857-L861 HydrophobicContact CD2-CG 4.38Å; L857-L861 WeakPolarHBondContact O-CB 3.17Å; L857-L861 VanDerWaalsContact O-CG 3.26Å; L857-L861 WeakPolarHBondContact O-CG 3.38Å; L857-L861 PolarHBondContact O-N 3.03Å; N858-L861 CarbonylContact O-C 3.57Å; N858-L861 PolarHBondContact O-N 2.83Å; A859-L861 VanDerWaalsContact C-N 3.32Å; L861-Y863 PolarHBondContact O-N 3.05Å
862	G	39.6	Very low	50.8	Low	34 Å²	34	110.9 Å²	110.9	35%	0.351	64%	0.637	S	S	.	*	T	Hydrogen-bonded Turn	trans	67.6	18	178.5	0	0	0	0	0	115.1	N858 T864	N858-G862 PolarHBondContact O-N 3.23Å; G862-T864 PolarHBondContact O-N 2.93Å
863	Y	44.7	Very low	49.1	Very low	106 Å²	106	114.9 Å²	114.9	42%	0.416	66%	0.655	S	S	.	*			trans	-88	105.8	-163.8	-150.5	-80.7	0	0	0	112	I756 N858 L861	I756-Y863 HydrophobicContact CD1-CE2 4.26Å; I756-Y863 WeakPolarHBondContact CD1-OH 3.46Å; N858-Y863 PolarHBondContact O-N 2.91Å; L861-Y863 PolarHBondContact O-N 3.05Å
864	T	43.1	Very low	47.6	Very low	108 Å²	108	120.6 Å²	120.6	66%	0.663	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-95.6	117.6	176.7	27.8	0	0	0	0	112.4	G862	G862-T864 PolarHBondContact O-N 2.93Å
865	K	37.8	Very low	45.8	Very low	186 Å²	186	122 Å²	122	81%	0.809	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-86.5	124	177	-158.4	-179.8	-171.7	-177.7	0	109.5	T867	K865-T867 PolarHBondContact O-N 2.84Å
866	Q	35.2	Very low	44	Very low	184 Å²	184	121.3 Å²	121.3	86%	0.86	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-71.6	125.9	170.8	-77.8	-171.2	-32.9	0	0	110.3
867	T	33.2	Very low	42.3	Very low	132 Å²	132	116.6 Å²	116.6	81%	0.81	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-80.5	128.6	172.2	-28.1	0	0	0	0	109.3	K865	K865-T867 PolarHBondContact O-N 2.84Å
868	P	36	Very low	40.8	Very low	115 Å²	115	116 Å²	116	75%	0.747	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-61.3	138.5	164.9	-19.6	32.7	0	0	0	109.8
869	G	31.8	Very low	39.1	Very low	83 Å²	83	120.3 Å²	120.3	86%	0.856	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-67.6	133	173.9	0	0	0	0	0	110.9
870	A	32.8	Very low	37.7	Very low	112 Å²	112	123.4 Å²	123.4	93%	0.926	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-92.1	129.6	170.1	0	0	0	0	0	109.5
871	G	32.4	Very low	36.5	Very low	62 Å²	62	120 Å²	120	64%	0.639	77%	0.767	S	S	*	*			trans	-178.8	109	179.1	0	0	0	0	0	110.7
872	D	34.9	Very low	35.6	Very low	158 Å²	158	120.4 Å²	120.4	85%	0.845	78%	0.778	S	S	*	*			trans	62.9	90.2	156	-49.3	-13	0	0	0	118.5
873	E	34.9	Very low	35.2	Very low	187 Å²	187	123.1 Å²	123.1	87%	0.874	81%	0.806	S	S	*	*				26.1	120.1	126.7	-53.6	-177.2	144.3	0	0	118.4
874	D	37.5	Very low	35	Very low	169 Å²	169	122.9 Å²	122.9	90%	0.904	82%	0.82	S	S	*	*				171.1	168.9	86.5	-143.1	-17.4	0	0	0	112.6
875	G	34.5	Very low	35	Very low	73 Å²	73	122.6 Å²	122.6	75%	0.753	82%	0.815	S	S	*	*			trans	91.3	115.1	159.1	0	0	0	0	0	118.7
876	A	32.5	Very low	35.7	Very low	116 Å²	116	119.7 Å²	119.7	96%	0.959	81%	0.805	S	S	*	*			trans	-93.2	144.2	177.3	0	0	0	0	0	114
877	G	34.7	Very low	36.9	Very low	83 Å²	83	112.7 Å²	112.7	86%	0.856	78%	0.775	S	S	*	*			trans	-163	143.1	172.5	0	0	0	0	0	111.4
878	A	35.2	Very low	38.9	Very low	89 Å²	89	113 Å²	113	74%	0.736	76%	0.761	S	S	*	*			trans	-113.7	157.2	-166.5	0	0	0	0	0	114.5
879	N	31.5	Very low	41	Very low	149 Å²	149	112 Å²	112	80%	0.797	74%	0.743	S	S	*	*			trans	55.9	113.1	161.2	-61.7	-15.7	0	0	0	118.4
880	T	34.1	Very low	43.6	Very low	147 Å²	147	110.1 Å²	110.1	90%	0.902	71%	0.71	S	S	*	*				-172.5	163.9	98.9	23.1	0	0	0	0	111.7
881	S	34.7	Very low	46.1	Very low	122 Å²	122	106.2 Å²	106.2	85%	0.853	67%	0.673	S	S	*	*			trans	-93.9	121.2	-174.5	53.9	0	0	0	0	113.2
882	S	36.1	Very low	48.7	Very low	114 Å²	114	103.7 Å²	103.7	80%	0.797	64%	0.644	S	S	*	*			trans	-142	123.5	163.5	59.1	0	0	0	0	109.9
883	G	32.8	Very low	51.2	Low	90 Å²	90	96.6 Å²	96.6	93%	0.928	61%	0.606	S	S	*	*			trans	-74.2	128.9	179.3	0	0	0	0	0	112.1
884	S	39.2	Very low	53.6	Low	102 Å²	102	87.7 Å²	87.7	71%	0.713	56%	0.564	S	S	*	*			trans	-105.3	132.2	178.6	55.8	0	0	0	0	112	M886	S884-M886 PolarHBondContact O-N 3.14Å
885	D	44.2	Very low	56	Low	102 Å²	102	82.2 Å²	82.2	55%	0.545	54%	0.537	S	S	.	.			trans	-86.2	89.1	-171.4	-145.9	-21.4	0	0	0	110.9	K761	K761-D885 HydrophobicContact CB-CB 4.46Å; K761-D885 WeakPolarHBondContact CB-O 3.23Å; K761-D885 HydrophobicContact CD-CB 3.92Å; K761-D885 VanDerWaalsContact CD-OD1 3.24Å; K761-D885 WeakPolarHBondContact CD-OD1 3.42Å; K761-D885 VanDerWaalsContact CD-OD2 3.27Å; K761-D885 WeakPolarHBondContact CD-OD2 3.13Å; K761-D885 WeakPolarHBondContact CE-OD2 3.3Å; K761-D885 PolarHBondContact N-O 2.9Å; K761-D885 IonicContact NZ-OD1 2.67Å; K761-D885 PolarHBondContact NZ-OD1 3.44Å; K761-D885 IonicContact NZ-OD2 3.92Å; K761-D885 PolarHBondContact NZ-OD2 3.36Å
886	M	51.6	Low	58.5	Low	125 Å²	125	78.8 Å²	78.8	62%	0.616	50%	0.501	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.3	136.2	176.1	-81.9	-175	162.5	0	0	111.5	D758 S884	D758-M886 HydrophobicContact CB-SD 4.45Å; S884-M886 PolarHBondContact O-N 3.14Å
887	V	61	Low	61	Low	37 Å²	37	73.3 Å²	73.3	22%	0.224	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	124.6	178.3	-180	0	0	0	0	109.3	V759 K761 V956	V759-V887 PolarHBondContact N-O 3.4Å; V759-V887 PolarHBondContact O-N 3.04Å; V759-V887 VanDerWaalsContact O-O 3.11Å; K761-V887 HydrophobicContact CB-CG2 4.13Å; K761-V887 HydrophobicContact CD-CG2 4.02Å; K761-V887 HydrophobicContact CG-CG2 3.85Å; V887-V956 HydrophobicContact CG1-CG1 3.45Å; V887-V956 VanDerWaalsContact CG1-CG1 3.45Å
888	R	74.5	Confident	63.4	Low	137 Å²	137	74 Å²	74	52%	0.517	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	139.5	174	-79.2	174.2	-179.4	160.5	4.5	111.1	I756 D758 Y890	I756-R888 HydrophobicContact CG2-CG 4.26Å; D758-R888 WeakPolarHBondContact OD1-CG 3.44Å; D758-R888 IonicContact OD1-CZ 3.62Å; D758-R888 IonicContact OD1-NE 3.66Å; D758-R888 PolarHBondContact OD1-NE 3.04Å; D758-R888 IonicContact OD1-NH2 2.67Å; R888-Y890 HydrophobicContact CB-CD2 4.49Å; R888-Y890 HydrophobicContact CB-CE2 3.85Å
889	R	80.7	Confident	65.7	Low	94 Å²	94	70.1 Å²	70.1	36%	0.355	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	140.9	158.8	-60.2	-170	-168.7	-165	3.5	109.3	K757 V759 A955	K757-R889 PolarHBondContact N-O 3.12Å; K757-R889 PolarHBondContact O-N 3.05Å; V759-R889 HydrophobicContact CG2-CG 4.12Å; R889-A955 WeakPolarHBondContact CA-O 3.38Å
890	Y	85.6	Confident	68.1	Low	45 Å²	45	65.7 Å²	65.7	18%	0.176	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	123.7	175.8	-62.4	-102.6	0	0	0	106.9	I756 R888 E954 A955 V956 E958	I756-Y890 HydrophobicContact CD1-CD1 3.74Å; I756-Y890 HydrophobicContact CD1-CE1 3.46Å; I756-Y890 VanDerWaalsContact CD1-CE1 3.46Å; I756-Y890 HydrophobicContact CG1-CD1 3.76Å; I756-Y890 HydrophobicContact CG1-CE1 4Å; R888-Y890 HydrophobicContact CB-CD2 4.49Å; R888-Y890 HydrophobicContact CB-CE2 3.85Å; Y890-E954 WeakPolarHBondContact O-CA 3.42Å; Y890-A955 PolarHBondContact N-O 2.84Å; Y890-A955 PolarHBondContact O-N 2.68Å; Y890-V956 WeakPolarHBondContact CD2-O 3.48Å; Y890-V956 WeakPolarHBondContact CE2-O 3.31Å; Y890-E958 HydrophobicContact CD1-CB 3.68Å; Y890-E958 HydrophobicContact CD1-CG 3.81Å; Y890-E958 HydrophobicContact CD2-CB 4.47Å; Y890-E958 HydrophobicContact CE1-CB 3.54Å; Y890-E958 HydrophobicContact CE1-CG 3.81Å; Y890-E958 WeakPolarHBondContact CE1-OE2 3.44Å; Y890-E958 HydrophobicContact CE2-CB 4.38Å; Y890-E958 HydrophobicContact CG-CB 4.16Å
891	E	86.4	Confident	70.4	Confident	29 Å²	29	63.4 Å²	63.4	14%	0.136	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	120.1	-177.6	179.2	-179.7	-158.2	0	0	108.3	K755 R927 C952 I953 E954	K755-E891 HydrophobicContact CB-CB 4.31Å; K755-E891 PolarHBondContact N-O 3.02Å; K755-E891 PolarHBondContact O-N 2.97Å; E891-R927 IonicContact OE1-NH1 2.66Å; E891-R927 PolarHBondContact OE1-NH1 3.19Å; E891-C952 WeakPolarHBondContact CG-SG 3.45Å; E891-C952 PolarHBondContact OE1-SG 3.1Å; E891-I953 CarbonylContact C-O 3.54Å; E891-I953 WeakPolarHBondContact CA-O 3.45Å; E891-E954 HydrophobicContact CB-CG 4.27Å; E891-E954 HydrophobicContact CG-CG 3.98Å
892	E	85.7	Confident	72.7	Confident	10 Å²	10	60.8 Å²	60.8	5%	0.047	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	123.9	179.6	-170.2	171.8	-170.5	0	0	111.4	T752 T754 C952 I953 V961 K965	T752-E892 WeakPolarHBondContact CB-OE1 3.37Å; T752-E892 HydrophobicContact CG2-CG 4.19Å; T752-E892 WeakPolarHBondContact CG2-OE1 3.05Å; T754-E892 HydrophobicContact CG2-CB 4.41Å; T754-E892 HydrophobicContact CG2-CG 3.95Å; E892-C952 WeakPolarHBondContact O-CA 3.46Å; E892-I953 PolarHBondContact N-O 2.87Å; E892-I953 PolarHBondContact O-N 2.91Å; E892-V961 HydrophobicContact CB-CG1 3.63Å; E892-V961 VanDerWaalsContact OE2-CG1 3.32Å; E892-V961 WeakPolarHBondContact OE2-CG1 3.37Å; E892-K965 WeakPolarHBondContact OE1-CD 3.33Å; E892-K965 WeakPolarHBondContact OE1-CE 3.24Å; E892-K965 IonicContact OE1-NZ 2.72Å; E892-K965 PolarHBondContact OE1-NZ 3.45Å
893	E	87.7	Confident	75.1	Confident	9 Å²	9	55.4 Å²	55.4	4%	0.042	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	119.3	174.9	-62.8	-176.7	-171.3	0	0	110.5	T752 K753 K755 R947 Y950	T752-E893 WeakPolarHBondContact CA-O 3.29Å; K753-E893 HydrophobicContact CB-CB 4.41Å; K753-E893 PolarHBondContact N-O 3.36Å; K753-E893 PolarHBondContact O-N 3.04Å; K755-E893 IonicContact NZ-OE1 2.72Å; K755-E893 PolarHBondContact NZ-OE1 3.16Å; E893-R947 IonicContact OE1-NH1 3.7Å; E893-R947 PolarHBondContact OE1-NH1 3.06Å; E893-R947 VanDerWaalsContact OE1-NH1 3.15Å; E893-R947 IonicContact OE2-CZ 3.36Å; E893-R947 VanDerWaalsContact OE2-CZ 3.29Å; E893-R947 IonicContact OE2-NH1 3.31Å; E893-R947 PolarHBondContact OE2-NH1 3.11Å; E893-R947 IonicContact OE2-NH2 3.67Å; E893-R947 PolarHBondContact OE2-NH2 3.39Å; E893-Y950 HydrophobicContact CB-CD2 4.05Å; E893-Y950 HydrophobicContact CB-CE2 4.39Å; E893-Y950 HydrophobicContact CG-CD2 4.05Å; E893-Y950 HydrophobicContact CG-CE2 3.88Å
894	L	85.8	Confident	77.8	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	103.9	-178.5	-169.3	155.4	0	0	0	109.5	L750 T752 I896 Y950 L951 I953 K965 I968	L750-L894 HydrophobicContact CD2-CD1 3.95Å; L750-L894 HydrophobicContact CD2-CD2 3.69Å; L750-L894 HydrophobicContact CD2-CG 3.65Å; T752-L894 HydrophobicContact CG2-CB 4.06Å; T752-L894 HydrophobicContact CG2-CD1 4.3Å; T752-L894 HydrophobicContact CG2-CG 4.04Å; L894-I896 HydrophobicContact CD2-CG2 3.59Å; L894-Y950 WeakPolarHBondContact O-CA 3.25Å; L894-L951 HydrophobicContact CD2-CD1 4.34Å; L894-L951 PolarHBondContact N-O 3.31Å; L894-L951 PolarHBondContact O-N 2.99Å; L894-I953 HydrophobicContact CD1-CD1 4.43Å; L894-K965 HydrophobicContact CD1-CG 4.28Å; L894-I968 HydrophobicContact CD1-CD1 4.3Å; L894-I968 HydrophobicContact CD1-CG2 4.11Å; L894-I968 HydrophobicContact CD2-CG2 4.26Å
895	V	86.6	Confident	80	Confident	53 Å²	53	54.6 Å²	54.6	32%	0.321	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	130.5	-177.1	-175.9	0	0	0	0	110.1	N897	V895-N897 HydrophobicContact CG1-CB 4.2Å
896	I	87.9	Confident	82.1	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.005	25%	0.249	C	C	.	.			trans	-121.2	2.5	-179.7	57.6	161.7	0	0	0	114.1	L894 D898 F899 R904 T908 L949 L951	L894-I896 HydrophobicContact CD2-CG2 3.59Å; I896-D898 PolarHBondContact O-N 2.89Å; I896-D898 VanDerWaalsContact O-N 3.13Å; I896-F899 HydrophobicContact CB-CD2 4.21Å; I896-F899 HydrophobicContact CG2-CD2 4.34Å; I896-F899 PolarHBondContact O-N 2.85Å; I896-R904 WeakPolarHBondContact O-CD 3.45Å; I896-R904 WeakPolarHBondContact O-CG 3.37Å; I896-T908 HydrophobicContact CD1-CG2 3.46Å; I896-T908 VanDerWaalsContact CD1-CG2 3.46Å; I896-L949 HydrophobicContact CD1-CD2 3.76Å; I896-L949 HydrophobicContact CD1-CG 3.96Å; I896-L949 HydrophobicContact CG1-CB 4.46Å; I896-L949 HydrophobicContact CG1-CD2 3.99Å; I896-L949 HydrophobicContact CG1-CG 3.87Å; I896-L949 WeakPolarHBondContact CG1-O 3.23Å; I896-L949 PolarHBondContact N-O 2.82Å; I896-L951 HydrophobicContact CD1-CD1 4.08Å; I896-L951 HydrophobicContact CD1-CG 4.29Å; I896-L951 HydrophobicContact CG1-CD1 4.46Å; I896-L951 HydrophobicContact CG2-CD1 3.59Å
897	N	85.9	Confident	83.9	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-40.3	-173.7	-169.7	80.6	0	0	0	113.7	V895 R904 Y930 M931 P948 L949	V895-N897 HydrophobicContact CG1-CB 4.2Å; N897-R904 WeakPolarHBondContact O-CD 3.4Å; N897-R904 PolarHBondContact O-NH1 2.94Å; N897-Y930 WeakPolarHBondContact OD1-CD2 3.5Å; N897-M931 PolarHBondContact ND2-O 3.45Å; N897-M931 PolarHBondContact OD1-N 3.32Å; N897-M931 PolarHBondContact OD1-O 2.8Å; N897-P948 HydrophobicContact CB-CB 4.06Å; N897-L949 HydrophobicContact CB-CB 4.42Å; N897-L949 PolarHBondContact N-O 2.88Å; N897-L949 VanDerWaalsContact N-O 3.1Å
898	D	83.2	Confident	85.2	Confident	98 Å²	98	48.8 Å²	48.8	52%	0.524	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-5.3	-166.2	-60.8	-19.6	0	0	0	114.2	M749 I896	M749-D898 HydrophobicContact CE-CB 3.64Å; I896-D898 PolarHBondContact O-N 2.89Å; I896-D898 VanDerWaalsContact O-N 3.13Å
899	F	83.8	Confident	85.8	Confident	7 Å²	7	43.2 Å²	43.2	3%	0.031	21%	0.207	C	C	.	.	S	Bend	trans	-69	154.8	170.9	-69.5	-75.6	0	0	0	111.8	M749 I896 V903 R904 I972	M749-F899 HydrophobicContact CB-CZ 4.39Å; I896-F899 HydrophobicContact CB-CD2 4.21Å; I896-F899 HydrophobicContact CG2-CD2 4.34Å; I896-F899 PolarHBondContact O-N 2.85Å; F899-V903 HydrophobicContact CB-CB 4.23Å; F899-V903 HydrophobicContact CB-CG1 3.99Å; F899-V903 HydrophobicContact CD1-CG1 4.35Å; F899-V903 HydrophobicContact CG-CG1 4.27Å; F899-R904 HydrophobicContact CB-CG 4.01Å; F899-R904 VanDerWaalsContact O-CD 3.29Å; F899-R904 WeakPolarHBondContact O-CD 3.25Å; F899-R904 WeakPolarHBondContact O-CG 2.89Å; F899-R904 PolarHBondContact O-NH1 2.93Å; F899-I972 HydrophobicContact CD1-CG2 4.15Å; F899-I972 HydrophobicContact CE1-CD1 4.42Å; F899-I972 HydrophobicContact CE1-CG2 3.72Å; F899-I972 HydrophobicContact CE2-CD1 4.22Å; F899-I972 HydrophobicContact CZ-CD1 4.02Å; F899-I972 HydrophobicContact CZ-CG2 4.33Å
900	P	82.6	Confident	86.1	Confident	57 Å²	57	48.4 Å²	48.4	37%	0.37	23%	0.226	S	C	.	.			trans	-54.7	146.7	175.5	-26.3	34.9	0	0	0	113	N902 V903 R904 L976 L979	P900-N902 PolarHBondContact O-N 2.77Å; P900-V903 HydrophobicContact CB-CG2 4.26Å; P900-V903 HydrophobicContact CG-CG2 4.36Å; P900-V903 WeakPolarHBondContact O-CA 3.39Å; P900-V903 WeakPolarHBondContact O-CB 3.47Å; P900-V903 PolarHBondContact O-N 2.72Å; P900-R904 PolarHBondContact O-N 2.66Å; P900-L976 HydrophobicContact CG-CD2 4.06Å; P900-L979 HydrophobicContact CB-CD1 4.3Å
901	Q	81.5	Confident	86.1	Confident	99 Å²	99	52.6 Å²	52.6	46%	0.463	25%	0.247	S	C	.	.	H	α-helix	trans	-52.5	-37	-175.8	-177.1	168.7	14.1	0	0	113.7	R904 W905	Q901-R904 PolarHBondContact O-N 2.67Å; Q901-W905 HydrophobicContact CG-CD2 3.86Å; Q901-W905 HydrophobicContact CG-CE3 3.91Å; Q901-W905 HydrophobicContact CG-CH2 4.05Å; Q901-W905 HydrophobicContact CG-CZ2 3.99Å; Q901-W905 HydrophobicContact CG-CZ3 3.99Å; Q901-W905 VanDerWaalsContact NE2-CH2 3.29Å; Q901-W905 WeakPolarHBondContact O-CB 3.43Å; Q901-W905 PolarHBondContact O-N 2.78Å
902	N	83.4	Confident	86.1	Confident	66 Å²	66	51.5 Å²	51.5	35%	0.353	24%	0.242	S	C	.	.	H	α-helix	trans	-62.7	-43.4	177.3	-51.4	-32.1	0	0	0	112	P900 R906 L979	P900-N902 PolarHBondContact O-N 2.77Å; N902-R906 PolarHBondContact O-N 3.1Å; N902-R906 VanDerWaalsContact O-N 3.09Å; N902-L979 HydrophobicContact CB-CD1 4.29Å; N902-L979 WeakPolarHBondContact ND2-CD2 3.45Å
903	V	87.7	Confident	86.2	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.006	25%	0.249	C	C	.	.	H	α-helix	trans	-67.8	-48.8	178.2	176.9	0	0	0	0	109.3	F899 P900 W905 R906 I907 I972 E975 L976 L979	F899-V903 HydrophobicContact CB-CB 4.23Å; F899-V903 HydrophobicContact CB-CG1 3.99Å; F899-V903 HydrophobicContact CD1-CG1 4.35Å; F899-V903 HydrophobicContact CG-CG1 4.27Å; P900-V903 HydrophobicContact CB-CG2 4.26Å; P900-V903 HydrophobicContact CG-CG2 4.36Å; P900-V903 WeakPolarHBondContact O-CA 3.39Å; P900-V903 WeakPolarHBondContact O-CB 3.47Å; P900-V903 PolarHBondContact O-N 2.72Å; V903-W905 VanDerWaalsContact C-N 3.33Å; V903-W905 PolarHBondContact O-N 3.36Å; V903-R906 PolarHBondContact O-N 2.83Å; V903-I907 HydrophobicContact CG1-CD1 3.68Å; V903-I907 WeakPolarHBondContact O-CD1 3.08Å; V903-I907 VanDerWaalsContact O-CG1 3.29Å; V903-I907 WeakPolarHBondContact O-CG1 3.36Å; V903-I907 PolarHBondContact O-N 2.79Å; V903-I907 VanDerWaalsContact O-N 3.13Å; V903-I972 HydrophobicContact CG1-CG1 4.12Å; V903-I972 HydrophobicContact CG1-CG2 4.48Å; V903-E975 HydrophobicContact CG2-CB 4.02Å; V903-L976 HydrophobicContact CG2-CD2 3.98Å; V903-L976 HydrophobicContact CG2-CG 4.19Å; V903-L979 HydrophobicContact CG2-CD1 4.12Å
904	R	88.1	Confident	86.3	Confident	23 Å²	23	56 Å²	56	9%	0.087	27%	0.266	C	S	.	.	H	α-helix	trans	-55	-47.3	176	-61.2	-170.1	-54.4	-121.8	2.8	111.9	I896 N897 F899 P900 Q901 R906 I907 T908 Y930	I896-R904 WeakPolarHBondContact O-CD 3.45Å; I896-R904 WeakPolarHBondContact O-CG 3.37Å; N897-R904 WeakPolarHBondContact O-CD 3.4Å; N897-R904 PolarHBondContact O-NH1 2.94Å; F899-R904 HydrophobicContact CB-CG 4.01Å; F899-R904 VanDerWaalsContact O-CD 3.29Å; F899-R904 WeakPolarHBondContact O-CD 3.25Å; F899-R904 WeakPolarHBondContact O-CG 2.89Å; F899-R904 PolarHBondContact O-NH1 2.93Å; P900-R904 PolarHBondContact O-N 2.66Å; Q901-R904 PolarHBondContact O-N 2.67Å; R904-R906 VanDerWaalsContact C-N 3.33Å; R904-R906 PolarHBondContact O-N 3.39Å; R904-I907 PolarHBondContact O-N 2.98Å; R904-T908 PolarHBondContact O-N 3.01Å; R904-T908 PolarHBondContact O-OG1 2.88Å; R904-T908 VanDerWaalsContact O-OG1 3.05Å; R904-Y930 VanDerWaalsContact NH2-CE2 3.31Å
905	W	85.7	Confident	86.4	Confident	152 Å²	152	59.8 Å²	59.8	58%	0.576	28%	0.284	S	S	*	.	H	α-helix	trans	-65.8	-27.8	177.3	-78.3	-24.4	0	0	0	114.5	Q901 V903 G909	Q901-W905 HydrophobicContact CG-CD2 3.86Å; Q901-W905 HydrophobicContact CG-CE3 3.91Å; Q901-W905 HydrophobicContact CG-CH2 4.05Å; Q901-W905 HydrophobicContact CG-CZ2 3.99Å; Q901-W905 HydrophobicContact CG-CZ3 3.99Å; Q901-W905 VanDerWaalsContact NE2-CH2 3.29Å; Q901-W905 WeakPolarHBondContact O-CB 3.43Å; Q901-W905 PolarHBondContact O-N 2.78Å; V903-W905 VanDerWaalsContact C-N 3.33Å; V903-W905 PolarHBondContact O-N 3.36Å; W905-G909 PolarHBondContact O-N 2.75Å
906	R	88.4	Confident	86.6	Confident	102 Å²	102	57.2 Å²	57.2	39%	0.385	27%	0.269	S	S	.	.	H	α-helix	trans	-71.7	-39.9	173.8	-167.1	72.7	-170.7	138.6	2.4	111	N902 V903 R904 G909 E911 M912 I971 E975	N902-R906 PolarHBondContact O-N 3.1Å; N902-R906 VanDerWaalsContact O-N 3.09Å; V903-R906 PolarHBondContact O-N 2.83Å; R904-R906 VanDerWaalsContact C-N 3.33Å; R904-R906 PolarHBondContact O-N 3.39Å; R906-G909 PolarHBondContact O-N 2.7Å; R906-E911 IonicContact CZ-OE2 3.54Å; R906-E911 IonicContact NH1-OE2 3.68Å; R906-E911 PolarHBondContact NH1-OE2 3.42Å; R906-E911 IonicContact NH2-OE2 3.46Å; R906-E911 PolarHBondContact NH2-OE2 3.24Å; R906-M912 WeakPolarHBondContact O-CB 3.27Å; R906-I971 HydrophobicContact CG-CG2 4.13Å; R906-E975 HydrophobicContact CB-CG 4.07Å; R906-E975 HydrophobicContact CG-CG 3.89Å
907	I	89.1	Confident	86.6	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-79.5	-37.1	-175.8	-52.2	157.2	0	0	0	111.9	V903 R904 G909 M912 L951 I968 I972	V903-I907 HydrophobicContact CG1-CD1 3.68Å; V903-I907 WeakPolarHBondContact O-CD1 3.08Å; V903-I907 VanDerWaalsContact O-CG1 3.29Å; V903-I907 WeakPolarHBondContact O-CG1 3.36Å; V903-I907 PolarHBondContact O-N 2.79Å; V903-I907 VanDerWaalsContact O-N 3.13Å; R904-I907 PolarHBondContact O-N 2.98Å; I907-G909 PolarHBondContact O-N 2.83Å; I907-M912 HydrophobicContact CB-CE 4.47Å; I907-M912 HydrophobicContact CB-SD 4.4Å; I907-M912 HydrophobicContact CG2-CE 3.85Å; I907-M912 HydrophobicContact CG2-SD 3.92Å; I907-L951 HydrophobicContact CG2-CD1 3.35Å; I907-L951 HydrophobicContact CG2-CD2 4.46Å; I907-I968 HydrophobicContact CG2-CG2 4.35Å; I907-I972 HydrophobicContact CD1-CD1 4.02Å; I907-I972 HydrophobicContact CD1-CG1 3.48Å; I907-I972 VanDerWaalsContact CD1-CG1 3.48Å; I907-I972 HydrophobicContact CG1-CG1 4.36Å
908	T	89.6	Confident	86.7	Confident	40 Å²	40	66 Å²	66	25%	0.245	32%	0.32	C	S	.	.	S	Bend	trans	-83.6	2.5	172.2	64.7	0	0	0	0	113.3	I896 R904 V926	I896-T908 HydrophobicContact CD1-CG2 3.46Å; I896-T908 VanDerWaalsContact CD1-CG2 3.46Å; R904-T908 PolarHBondContact O-N 3.01Å; R904-T908 PolarHBondContact O-OG1 2.88Å; R904-T908 VanDerWaalsContact O-OG1 3.05Å; T908-V926 HydrophobicContact CG2-CG1 3.85Å; T908-V926 HydrophobicContact CG2-CG2 3.86Å
909	G	86.3	Confident	86.9	Confident	20 Å²	20	68.2 Å²	68.2	21%	0.206	32%	0.322	C	S	.	.	S	Bend	trans	-72	137	177.8	0	0	0	0	0	111.8	W905 R906 I907 E911 M912 L913	W905-G909 PolarHBondContact O-N 2.75Å; R906-G909 PolarHBondContact O-N 2.7Å; I907-G909 PolarHBondContact O-N 2.83Å; G909-E911 VanDerWaalsContact C-N 3.27Å; G909-E911 PolarHBondContact O-N 2.95Å; G909-M912 WeakPolarHBondContact O-CB 3.48Å; G909-M912 PolarHBondContact O-N 2.9Å; G909-L913 PolarHBondContact O-N 2.9Å
910	R	86.3	Confident	87	Confident	203 Å²	203	68.1 Å²	68.1	77%	0.766	32%	0.322	S	S	*	.	H	α-helix	trans	-56.7	-37.5	-176.8	-168	176.4	-175.2	-176.9	1.3	113.5	M912 L913 N914	R910-M912 PolarHBondContact O-N 3.25Å; R910-L913 PolarHBondContact O-N 3.34Å; R910-N914 WeakPolarHBondContact O-CB 3.29Å; R910-N914 PolarHBondContact O-N 3.31Å; R910-N914 PolarHBondContact O-OD1 3.1Å; R910-N914 VanDerWaalsContact O-OD1 3.09Å
911	E	86.2	Confident	87.3	Confident	133 Å²	133	71 Å²	71	62%	0.621	33%	0.334	S	S	*	.	H	α-helix	trans	-52.8	-40.6	172.4	-65.9	171.1	-163	0	0	112.6	R906 G909 H915	R906-E911 IonicContact CZ-OE2 3.54Å; R906-E911 IonicContact NH1-OE2 3.68Å; R906-E911 PolarHBondContact NH1-OE2 3.42Å; R906-E911 IonicContact NH2-OE2 3.46Å; R906-E911 PolarHBondContact NH2-OE2 3.24Å; G909-E911 VanDerWaalsContact C-N 3.27Å; G909-E911 PolarHBondContact O-N 2.95Å; E911-H915 WeakPolarHBondContact O-CB 3.39Å; E911-H915 PolarHBondContact O-N 2.94Å
912	M	86.2	Confident	87.7	Confident	6 Å²	6	66.5 Å²	66.5	3%	0.03	31%	0.314	C	S	.	.	H	α-helix	trans	-84.7	-38.5	-174	-169.4	-86.7	-176.6	0	0	111.7	R906 I907 G909 R910 H915 L916 I968 I971	R906-M912 WeakPolarHBondContact O-CB 3.27Å; I907-M912 HydrophobicContact CB-CE 4.47Å; I907-M912 HydrophobicContact CB-SD 4.4Å; I907-M912 HydrophobicContact CG2-CE 3.85Å; I907-M912 HydrophobicContact CG2-SD 3.92Å; G909-M912 WeakPolarHBondContact O-CB 3.48Å; G909-M912 PolarHBondContact O-N 2.9Å; R910-M912 PolarHBondContact O-N 3.25Å; M912-H915 PolarHBondContact O-N 3.31Å; M912-L916 HydrophobicContact CE-CD1 3.68Å; M912-L916 HydrophobicContact CE-CD2 4.2Å; M912-L916 HydrophobicContact CE-CG 3.98Å; M912-L916 WeakPolarHBondContact O-CG 3.41Å; M912-L916 PolarHBondContact O-N 3.17Å; M912-L916 HydrophobicContact SD-CD1 3.58Å; M912-L916 VanDerWaalsContact SD-CD1 3.58Å; M912-L916 HydrophobicContact SD-CG 3.94Å; M912-I968 HydrophobicContact CE-CB 4.44Å; M912-I968 HydrophobicContact CE-CG1 3.89Å; M912-I971 HydrophobicContact CE-CB 4.31Å; M912-I971 HydrophobicContact CE-CD1 3.52Å; M912-I971 HydrophobicContact CE-CG2 4.32Å; M912-I971 HydrophobicContact CG-CD1 4.03Å
913	L	89.1	Confident	88	Confident	37 Å²	37	65.3 Å²	65.3	19%	0.194	32%	0.317	C	S	.	.	H	α-helix	trans	-61.5	-43.4	171.5	-65.6	171.7	0	0	0	111.5	G909 R910 L916 S917 V924 V926 L951	G909-L913 PolarHBondContact O-N 2.9Å; R910-L913 PolarHBondContact O-N 3.34Å; L913-L916 PolarHBondContact O-N 3.24Å; L913-S917 PolarHBondContact O-N 3.04Å; L913-S917 VanDerWaalsContact O-N 3.09Å; L913-V924 HydrophobicContact CD2-CB 4.02Å; L913-V924 HydrophobicContact CD2-CG1 3.66Å; L913-V926 HydrophobicContact CD1-CG2 4.07Å; L913-V926 HydrophobicContact CD2-CG2 4.24Å; L913-L951 HydrophobicContact CD2-CD2 3.94Å
914	N	87.9	Confident	88.1	Confident	75 Å²	75	66.6 Å²	66.6	40%	0.401	32%	0.324	S	S	.	.	H	α-helix	trans	-60.4	-51.4	170.7	-78.5	43.9	0	0	0	110.8	R910 L916 S917 D918	R910-N914 WeakPolarHBondContact O-CB 3.29Å; R910-N914 PolarHBondContact O-N 3.31Å; R910-N914 PolarHBondContact O-OD1 3.1Å; R910-N914 VanDerWaalsContact O-OD1 3.09Å; N914-L916 VanDerWaalsContact C-N 3.3Å; N914-L916 PolarHBondContact O-N 3.5Å; N914-S917 CarbonylContact O-C 3.54Å; N914-S917 WeakPolarHBondContact O-CA 3.28Å; N914-S917 WeakPolarHBondContact O-CB 3.48Å; N914-S917 PolarHBondContact O-N 2.6Å; N914-D918 VanDerWaalsContact O-CG 3.25Å; N914-D918 PolarHBondContact O-N 3.39Å
915	H	89.4	Confident	88.1	Confident	80 Å²	80	67.2 Å²	67.2	37%	0.37	33%	0.333	S	S	.	.	H	α-helix	trans	-55.7	-39.8	178.7	-179.5	-89.8	0	0	0	113.3	E911 M912 Y919 E967	E911-H915 WeakPolarHBondContact O-CB 3.39Å; E911-H915 PolarHBondContact O-N 2.94Å; M912-H915 PolarHBondContact O-N 3.31Å; H915-Y919 WeakPolarHBondContact O-CB 3.33Å; H915-Y919 PolarHBondContact O-N 3.36Å; H915-E967 IonicContact CE1-OE1 2.82Å
916	L	89.6	Confident	88.2	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-66.5	-40.4	174.2	-70.2	177.5	0	0	0	112.3	M912 L913 N914 C920 V924 E967 I968	M912-L916 HydrophobicContact CE-CD1 3.68Å; M912-L916 HydrophobicContact CE-CD2 4.2Å; M912-L916 HydrophobicContact CE-CG 3.98Å; M912-L916 WeakPolarHBondContact O-CG 3.41Å; M912-L916 PolarHBondContact O-N 3.17Å; M912-L916 HydrophobicContact SD-CD1 3.58Å; M912-L916 VanDerWaalsContact SD-CD1 3.58Å; M912-L916 HydrophobicContact SD-CG 3.94Å; L913-L916 PolarHBondContact O-N 3.24Å; N914-L916 VanDerWaalsContact C-N 3.3Å; N914-L916 PolarHBondContact O-N 3.5Å; L916-C920 WeakPolarHBondContact O-CA 3.37Å; L916-C920 VanDerWaalsContact O-CB 3.26Å; L916-C920 WeakPolarHBondContact O-CB 3.37Å; L916-C920 PolarHBondContact O-N 2.59Å; L916-V924 HydrophobicContact CB-CG2 3.85Å; L916-V924 HydrophobicContact CD1-CG1 4.37Å; L916-V924 HydrophobicContact CD1-CG2 3.96Å; L916-E967 HydrophobicContact CD2-CB 4.11Å; L916-E967 HydrophobicContact CD2-CG 4.12Å; L916-I968 HydrophobicContact CD1-CD1 3.9Å; L916-I968 HydrophobicContact CD1-CG1 3.61Å; L916-I968 HydrophobicContact CD2-CG1 4.05Å; L916-I968 HydrophobicContact CG-CG1 4.49Å
917	S	88	Confident	88.2	Confident	54 Å²	54	61.7 Å²	61.7	38%	0.378	32%	0.318	S	S	.	.	H	α-helix	trans	-62.9	-50.2	176.2	-158.1	0	0	0	0	111.2	L913 N914 D921 V922	L913-S917 PolarHBondContact O-N 3.04Å; L913-S917 VanDerWaalsContact O-N 3.09Å; N914-S917 CarbonylContact O-C 3.54Å; N914-S917 WeakPolarHBondContact O-CA 3.28Å; N914-S917 WeakPolarHBondContact O-CB 3.48Å; N914-S917 PolarHBondContact O-N 2.6Å; S917-D921 VanDerWaalsContact O-CA 3.25Å; S917-D921 WeakPolarHBondContact O-CA 3.36Å; S917-D921 PolarHBondContact O-N 2.98Å; S917-V922 WeakPolarHBondContact CA-O 3.35Å; S917-V922 PolarHBondContact OG-O 3.31Å
918	D	87.9	Confident	88	Confident	133 Å²	133	63.2 Å²	63.2	71%	0.711	33%	0.334	S	S	*	.	H	α-helix	trans	-71.9	-35.6	-176	-57.8	-27.4	0	0	0	113.2	N914	N914-D918 VanDerWaalsContact O-CG 3.25Å; N914-D918 PolarHBondContact O-N 3.39Å
919	Y	87.6	Confident	87.6	Confident	143 Å²	143	65.3 Å²	65.3	56%	0.561	35%	0.347	S	S	*	.	H	α-helix	trans	-93.1	-29.9	-175.1	-174.4	-112.1	0	0	0	113.9	H915 E967	H915-Y919 WeakPolarHBondContact O-CB 3.33Å; H915-Y919 PolarHBondContact O-N 3.36Å; Y919-E967 HydrophobicContact CD1-CG 4.46Å
920	C	87.3	Confident	87.4	Confident	5 Å²	5	69.2 Å²	69.2	3%	0.034	36%	0.356	C	S	.	.	H	α-helix	trans	-109.6	-10	-177.4	-55.5	0	0	0	0	113.9	L916 V922 L963 A964	L916-C920 WeakPolarHBondContact O-CA 3.37Å; L916-C920 VanDerWaalsContact O-CB 3.26Å; L916-C920 WeakPolarHBondContact O-CB 3.37Å; L916-C920 PolarHBondContact O-N 2.59Å; C920-V922 HydrophobicContact CB-CG1 4.15Å; C920-V922 HydrophobicContact CB-CG2 4.06Å; C920-L963 HydrophobicContact CB-CD2 4.3Å; C920-A964 HydrophobicContact CB-CB 3.89Å
921	D	88.2	Confident	87.1	Confident	117 Å²	117	60.7 Å²	60.7	63%	0.626	33%	0.325	S	S	*	.			trans	56.6	54.5	-177.5	-169.9	38.7	0	0	0	111.4	S917 Q960	S917-D921 VanDerWaalsContact O-CA 3.25Å; S917-D921 WeakPolarHBondContact O-CA 3.36Å; S917-D921 PolarHBondContact O-N 2.98Å; D921-Q960 PolarHBondContact O-NE2 2.81Å; D921-Q960 VanDerWaalsContact O-NE2 3.16Å; D921-Q960 PolarHBondContact OD2-NE2 2.85Å
922	V	90.5	Very high	86.4	Confident	6 Å²	6	57.4 Å²	57.4	4%	0.036	32%	0.315	C	S	.	.			trans	-132.9	149	-178.5	-57.8	0	0	0	0	112	S917 C920 V924 I953 A955 Q960 A964	S917-V922 WeakPolarHBondContact CA-O 3.35Å; S917-V922 PolarHBondContact OG-O 3.31Å; C920-V922 HydrophobicContact CB-CG1 4.15Å; C920-V922 HydrophobicContact CB-CG2 4.06Å; V922-V924 HydrophobicContact CG2-CG2 3.66Å; V922-I953 HydrophobicContact CB-CG2 4.12Å; V922-I953 HydrophobicContact CG1-CG2 4.38Å; V922-I953 HydrophobicContact CG2-CG2 4.09Å; V922-A955 HydrophobicContact CB-CB 4.32Å; V922-A955 HydrophobicContact CG1-CB 3.72Å; V922-Q960 HydrophobicContact CG1-CB 3.7Å; V922-A964 HydrophobicContact CG1-CB 4.2Å; V922-A964 HydrophobicContact CG2-CB 3.78Å
923	G	88.6	Confident	85.6	Confident	40 Å²	40	61.2 Å²	61.2	41%	0.412	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	119.1	166.5	0	0	0	0	0	110.4	E954	G923-E954 PolarHBondContact N-O 3.38Å; G923-E954 PolarHBondContact O-N 2.85Å
924	V	89	Confident	84.4	Confident	28 Å²	28	63.8 Å²	63.8	17%	0.17	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	123.1	175.5	-167.3	0	0	0	0	110.2	L913 L916 V922 L951 C952	L913-V924 HydrophobicContact CD2-CB 4.02Å; L913-V924 HydrophobicContact CD2-CG1 3.66Å; L916-V924 HydrophobicContact CB-CG2 3.85Å; L916-V924 HydrophobicContact CD1-CG1 4.37Å; L916-V924 HydrophobicContact CD1-CG2 3.96Å; V922-V924 HydrophobicContact CG2-CG2 3.66Å; V924-L951 HydrophobicContact CG1-CB 4.48Å; V924-L951 HydrophobicContact CG1-CD2 3.69Å; V924-C952 WeakPolarHBondContact CA-O 3.41Å
925	S	88.6	Confident	83.3	Confident	37 Å²	37	66.5 Å²	66.5	26%	0.259	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	140.2	174.7	63.4	0	0	0	0	111.7	R927 L951 C952	S925-R927 PolarHBondContact OG-NE 2.73Å; S925-R927 VanDerWaalsContact OG-NE 3.08Å; S925-R927 PolarHBondContact OG-NH2 3.37Å; S925-R927 VanDerWaalsContact OG-NH2 3.11Å; S925-L951 CarbonylContact O-C 3.53Å; S925-L951 WeakPolarHBondContact O-CA 3.48Å; S925-C952 PolarHBondContact N-O 2.99Å; S925-C952 PolarHBondContact O-N 3.48Å
926	V	89.3	Confident	81.9	Confident	60 Å²	60	64.2 Å²	64.2	36%	0.364	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	126.8	173.9	-176.3	0	0	0	0	108.2	T908 L913 L949 L951	T908-V926 HydrophobicContact CG2-CG1 3.85Å; T908-V926 HydrophobicContact CG2-CG2 3.86Å; L913-V926 HydrophobicContact CD1-CG2 4.07Å; L913-V926 HydrophobicContact CD2-CG2 4.24Å; V926-L949 HydrophobicContact CG1-CD1 3.76Å; V926-L951 HydrophobicContact CG2-CD2 3.85Å
927	R	87.9	Confident	80.5	Confident	78 Å²	78	73.4 Å²	73.4	29%	0.294	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	158.5	-176.5	-62.5	-178.3	-171.6	164.4	4.9	110.6	E891 S925 Y950 C952 E954	E891-R927 IonicContact OE1-NH1 2.66Å; E891-R927 PolarHBondContact OE1-NH1 3.19Å; S925-R927 PolarHBondContact OG-NE 2.73Å; S925-R927 VanDerWaalsContact OG-NE 3.08Å; S925-R927 PolarHBondContact OG-NH2 3.37Å; S925-R927 VanDerWaalsContact OG-NH2 3.11Å; R927-Y950 HydrophobicContact CB-CD1 3.97Å; R927-Y950 HydrophobicContact CB-CD2 4.27Å; R927-Y950 HydrophobicContact CB-CE1 3.43Å; R927-Y950 VanDerWaalsContact CB-CE1 3.43Å; R927-Y950 HydrophobicContact CB-CE2 3.77Å; R927-Y950 HydrophobicContact CB-CG 4.37Å; R927-Y950 HydrophobicContact CG-CE2 4.39Å; R927-Y950 PolarHBondContact N-O 3.23Å; R927-Y950 VanDerWaalsContact O-CD1 3.23Å; R927-Y950 WeakPolarHBondContact O-CD1 3.49Å; R927-Y950 PolarHBondContact O-N 3.22Å; R927-C952 PolarHBondContact NH1-SG 2.93Å; R927-E954 IonicContact CZ-OE1 3.62Å; R927-E954 IonicContact NH1-OE1 3.86Å; R927-E954 IonicContact NH2-OE1 3.68Å; R927-E954 PolarHBondContact NH2-OE1 2.94Å
928	G	84.1	Confident	79	Confident	32 Å²	32	77.3 Å²	77.3	33%	0.33	42%	0.422	S	S	.	.	S	Bend	trans	75.7	-177.2	-177.3	0	0	0	0	0	114.4	R947	G928-R947 CarbonylContact C-O 3.56Å; G928-R947 WeakPolarHBondContact CA-O 3.13Å
929	V	81	Confident	77.3	Confident	85 Å²	85	79.5 Å²	79.5	52%	0.515	43%	0.428	S	S	.	.	B	Isolated β-bridge	trans	-124.1	144.2	-173.2	-176.3	0	0	0	0	110.3	M931 R947 P948 L949	V929-M931 PolarHBondContact O-N 2.74Å; V929-R947 PolarHBondContact N-O 2.77Å; V929-P948 CarbonylContact O-C 3.57Å; V929-P948 WeakPolarHBondContact O-CA 3.13Å; V929-L949 PolarHBondContact O-N 3.43Å
930	Y	82.2	Confident	75.8	Confident	102 Å²	102	75.1 Å²	75.1	40%	0.4	41%	0.413	S	S	.	.			trans	-67.4	119.1	173.8	170.3	-119.4	0	0	0	111.1	N897 R904	N897-Y930 WeakPolarHBondContact OD1-CD2 3.5Å; R904-Y930 VanDerWaalsContact NH2-CE2 3.31Å
931	M	79.9	Confident	73.8	Confident	24 Å²	24	79 Å²	79	12%	0.118	44%	0.439	C	S	.	.			trans	-105.6	127.1	172.8	-64.4	-162.1	177.5	0	0	110.4	N897 V929 A936 I940 D946	N897-M931 PolarHBondContact ND2-O 3.45Å; N897-M931 PolarHBondContact OD1-N 3.32Å; N897-M931 PolarHBondContact OD1-O 2.8Å; V929-M931 PolarHBondContact O-N 2.74Å; M931-A936 HydrophobicContact CB-CB 4.14Å; M931-I940 HydrophobicContact CE-CD1 4.11Å; M931-I940 HydrophobicContact CE-CG1 4.49Å; M931-I940 HydrophobicContact SD-CD1 4.15Å; M931-D946 HydrophobicContact CE-CB 3.86Å; M931-D946 WeakPolarHBondContact CE-O 3.44Å
932	P	72.8	Confident	71.8	Confident	64 Å²	64	83.2 Å²	83.2	42%	0.416	46%	0.455	S	S	.	.			trans	-55	147.3	168.5	-24.4	34.4	0	0	0	111	A934 K935 A936	P932-A934 PolarHBondContact O-N 3.22Å; P932-K935 PolarHBondContact O-N 3.49Å; P932-A936 PolarHBondContact O-N 2.81Å
933	P	68.2	Low	70.2	Confident	85 Å²	85	87 Å²	87	55%	0.552	50%	0.495	S	S	*	.	H	α-helix	trans	-60.6	-20.7	-173.9	21.5	-33.2	0	0	0	114.2	K935	P933-K935 VanDerWaalsContact C-N 3.33Å
934	A	65.1	Low	68.7	Low	91 Å²	91	88 Å²	88	75%	0.752	49%	0.493	S	S	*	.	H	α-helix	trans	-70	-23.7	171.7	0	0	0	0	0	114.1	P932	P932-A934 PolarHBondContact O-N 3.22Å
935	K	64.9	Low	67.2	Low	133 Å²	133	94.2 Å²	94.2	58%	0.578	53%	0.525	S	S	*	.	H	α-helix	trans	-99.5	-34.8	173.9	-78.8	-164.7	171.5	-167	0	113.1	P932 P933 K937 Q938	P932-K935 PolarHBondContact O-N 3.49Å; P933-K935 VanDerWaalsContact C-N 3.33Å; K935-K937 PolarHBondContact O-N 2.71Å; K935-Q938 WeakPolarHBondContact O-CB 3.38Å; K935-Q938 PolarHBondContact O-N 2.76Å
936	A	60.1	Low	66.1	Low	32 Å²	32	96.8 Å²	96.8	26%	0.264	54%	0.536	S	S	.	.	H	α-helix	trans	-58.7	-19.3	-176.6	0	0	0	0	0	114.4	M931 P932	M931-A936 HydrophobicContact CB-CB 4.14Å; P932-A936 PolarHBondContact O-N 2.81Å
937	K	59.1	Low	65.6	Low	193 Å²	193	98.4 Å²	98.4	84%	0.839	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-0.3	174.9	-63	-167.1	176.2	-169.2	0	115	K935	K935-K937 PolarHBondContact O-N 2.71Å
938	Q	57.7	Low	65.3	Low	136 Å²	136	96.5 Å²	96.5	64%	0.636	53%	0.534	S	S	*	.	S	Bend	trans	-86	135	173.6	-65.6	-174.1	-37	0	0	110	K935 I940	K935-Q938 WeakPolarHBondContact O-CB 3.38Å; K935-Q938 PolarHBondContact O-N 2.76Å; Q938-I940 PolarHBondContact O-N 3Å
939	H	51.4	Low	65.4	Low	179 Å²	179	96 Å²	96	83%	0.829	52%	0.523	S	S	*	.			trans	-69.5	102.2	-176.4	-169.9	-57.6	0	0	0	110.9
940	I	55.3	Low	65.8	Low	50 Å²	50	93 Å²	93	26%	0.256	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-68.5	132.9	175	-60.1	142.1	0	0	0	108.7	M931 Q938 D946	M931-I940 HydrophobicContact CE-CD1 4.11Å; M931-I940 HydrophobicContact CE-CG1 4.49Å; M931-I940 HydrophobicContact SD-CD1 4.15Å; Q938-I940 PolarHBondContact O-N 3Å; I940-D946 VanDerWaalsContact CD1-O 3.3Å; I940-D946 WeakPolarHBondContact CD1-O 2.94Å; I940-D946 HydrophobicContact CG2-CB 4.33Å
941	P	46.7	Very low	66.1	Low	88 Å²	88	88.2 Å²	88.2	57%	0.571	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-65.7	143.3	173.7	-20.7	33.6	0	0	0	112	G943	P941-G943 PolarHBondContact O-N 2.96Å
942	E	45.8	Very low	66.6	Low	204 Å²	204	87 Å²	87	95%	0.953	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	122.2	169.7	-63.9	-167.2	135	0	0	109.8
943	G	56	Low	67.5	Low	85 Å²	85	84 Å²	84	88%	0.876	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	118.4	-3.5	178.7	0	0	0	0	0	116.3	P941	P941-G943 PolarHBondContact O-N 2.96Å
944	T	57.6	Low	68.6	Low	62 Å²	62	82.9 Å²	82.9	38%	0.38	45%	0.446	S	S	.	.	S	Bend	trans	-99.8	149.6	168.6	58.8	0	0	0	0	112.3	D946	T944-D946 PolarHBondContact O-N 2.9Å; T944-D946 VanDerWaalsContact O-N 3.15Å
945	D	58.4	Low	69.7	Low	159 Å²	159	79 Å²	79	85%	0.85	41%	0.413	S	S	*	.	S	Bend	trans	-67.8	-7.3	178.3	-75.1	-45.6	0	0	0	113.9	R947	D945-R947 PolarHBondContact O-N 2.79Å
946	D	65.5	Low	70.8	Confident	91 Å²	91	76.3 Å²	76.3	49%	0.487	41%	0.408	S	S	.	.			trans	-71.1	43.8	-178.5	-68.9	-56.1	0	0	0	113.6	M931 I940 T944	M931-D946 HydrophobicContact CE-CB 3.86Å; M931-D946 WeakPolarHBondContact CE-O 3.44Å; I940-D946 VanDerWaalsContact CD1-O 3.3Å; I940-D946 WeakPolarHBondContact CD1-O 2.94Å; I940-D946 HydrophobicContact CG2-CB 4.33Å; T944-D946 PolarHBondContact O-N 2.9Å; T944-D946 VanDerWaalsContact O-N 3.15Å
947	R	78.1	Confident	72	Confident	94 Å²	94	79.2 Å²	79.2	36%	0.355	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-76.4	138.6	172	-62.7	-168.9	71.7	-160.3	-2.9	110.6	E893 G928 V929 D945 Y950	E893-R947 IonicContact OE1-NH1 3.7Å; E893-R947 PolarHBondContact OE1-NH1 3.06Å; E893-R947 VanDerWaalsContact OE1-NH1 3.15Å; E893-R947 IonicContact OE2-CZ 3.36Å; E893-R947 VanDerWaalsContact OE2-CZ 3.29Å; E893-R947 IonicContact OE2-NH1 3.31Å; E893-R947 PolarHBondContact OE2-NH1 3.11Å; E893-R947 IonicContact OE2-NH2 3.67Å; E893-R947 PolarHBondContact OE2-NH2 3.39Å; G928-R947 CarbonylContact C-O 3.56Å; G928-R947 WeakPolarHBondContact CA-O 3.13Å; V929-R947 PolarHBondContact N-O 2.77Å; D945-R947 PolarHBondContact O-N 2.79Å; R947-Y950 HydrophobicContact CB-CE1 4.12Å; R947-Y950 PolarHBondContact NH1-OH 3.42Å
948	P	81.1	Confident	73.3	Confident	38 Å²	38	75.7 Å²	75.7	25%	0.247	41%	0.406	C	S	.	.	B	Isolated β-bridge	trans	-65.4	148.8	176.5	29.2	-35.9	0	0	0	111.2	N897 V929 Y950	N897-P948 HydrophobicContact CB-CB 4.06Å; V929-P948 CarbonylContact O-C 3.57Å; V929-P948 WeakPolarHBondContact O-CA 3.13Å; P948-Y950 WeakPolarHBondContact O-CD1 3.35Å; P948-Y950 PolarHBondContact O-N 2.87Å
949	L	86.8	Confident	74.6	Confident	22 Å²	22	79.6 Å²	79.6	12%	0.115	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-52.4	123.6	-170.3	-171.4	71.1	0	0	0	113.7	I896 N897 V926 V929	I896-L949 HydrophobicContact CD1-CD2 3.76Å; I896-L949 HydrophobicContact CD1-CG 3.96Å; I896-L949 HydrophobicContact CG1-CB 4.46Å; I896-L949 HydrophobicContact CG1-CD2 3.99Å; I896-L949 HydrophobicContact CG1-CG 3.87Å; I896-L949 WeakPolarHBondContact CG1-O 3.23Å; I896-L949 PolarHBondContact N-O 2.82Å; N897-L949 HydrophobicContact CB-CB 4.42Å; N897-L949 PolarHBondContact N-O 2.88Å; N897-L949 VanDerWaalsContact N-O 3.1Å; V926-L949 HydrophobicContact CG1-CD1 3.76Å; V929-L949 PolarHBondContact O-N 3.43Å
950	Y	88.9	Confident	76.3	Confident	22 Å²	22	72.4 Å²	72.4	9%	0.086	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	157.8	179.6	68.9	-74	0	0	0	112.3	E893 L894 R927 R947 P948 C952	E893-Y950 HydrophobicContact CB-CD2 4.05Å; E893-Y950 HydrophobicContact CB-CE2 4.39Å; E893-Y950 HydrophobicContact CG-CD2 4.05Å; E893-Y950 HydrophobicContact CG-CE2 3.88Å; L894-Y950 WeakPolarHBondContact O-CA 3.25Å; R927-Y950 HydrophobicContact CB-CD1 3.97Å; R927-Y950 HydrophobicContact CB-CD2 4.27Å; R927-Y950 HydrophobicContact CB-CE1 3.43Å; R927-Y950 VanDerWaalsContact CB-CE1 3.43Å; R927-Y950 HydrophobicContact CB-CE2 3.77Å; R927-Y950 HydrophobicContact CB-CG 4.37Å; R927-Y950 HydrophobicContact CG-CE2 4.39Å; R927-Y950 PolarHBondContact N-O 3.23Å; R927-Y950 VanDerWaalsContact O-CD1 3.23Å; R927-Y950 WeakPolarHBondContact O-CD1 3.49Å; R927-Y950 PolarHBondContact O-N 3.22Å; R947-Y950 HydrophobicContact CB-CE1 4.12Å; R947-Y950 PolarHBondContact NH1-OH 3.42Å; P948-Y950 WeakPolarHBondContact O-CD1 3.35Å; P948-Y950 PolarHBondContact O-N 2.87Å; Y950-C952 HydrophobicContact CD2-CB 4.45Å; Y950-C952 HydrophobicContact CE2-CB 4.24Å
951	L	89.7	Confident	77.9	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	146.8	163.4	-67.7	139.7	0	0	0	108.6	L894 I896 I907 L913 V924 S925 V926	L894-L951 HydrophobicContact CD2-CD1 4.34Å; L894-L951 PolarHBondContact N-O 3.31Å; L894-L951 PolarHBondContact O-N 2.99Å; I896-L951 HydrophobicContact CD1-CD1 4.08Å; I896-L951 HydrophobicContact CD1-CG 4.29Å; I896-L951 HydrophobicContact CG1-CD1 4.46Å; I896-L951 HydrophobicContact CG2-CD1 3.59Å; I907-L951 HydrophobicContact CG2-CD1 3.35Å; I907-L951 HydrophobicContact CG2-CD2 4.46Å; L913-L951 HydrophobicContact CD2-CD2 3.94Å; V924-L951 HydrophobicContact CG1-CB 4.48Å; V924-L951 HydrophobicContact CG1-CD2 3.69Å; S925-L951 CarbonylContact O-C 3.53Å; S925-L951 WeakPolarHBondContact O-CA 3.48Å; V926-L951 HydrophobicContact CG2-CD2 3.85Å
952	C	90.1	Very high	79.8	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	118.2	172.1	-162.2	0	0	0	0	108.4	E891 E892 V924 S925 R927 Y950	E891-C952 WeakPolarHBondContact CG-SG 3.45Å; E891-C952 PolarHBondContact OE1-SG 3.1Å; E892-C952 WeakPolarHBondContact O-CA 3.46Å; V924-C952 WeakPolarHBondContact CA-O 3.41Å; S925-C952 PolarHBondContact N-O 2.99Å; S925-C952 PolarHBondContact O-N 3.48Å; R927-C952 PolarHBondContact NH1-SG 2.93Å; Y950-C952 HydrophobicContact CD2-CB 4.45Å; Y950-C952 HydrophobicContact CE2-CB 4.24Å
953	I	90.9	Very high	81.9	Confident	0 Å²	0	63 Å²	63	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	118.2	-175.2	-49.5	168.7	0	0	0	107.4	E891 E892 L894 V922 V961 A964 I968	E891-I953 CarbonylContact C-O 3.54Å; E891-I953 WeakPolarHBondContact CA-O 3.45Å; E892-I953 PolarHBondContact N-O 2.87Å; E892-I953 PolarHBondContact O-N 2.91Å; L894-I953 HydrophobicContact CD1-CD1 4.43Å; V922-I953 HydrophobicContact CB-CG2 4.12Å; V922-I953 HydrophobicContact CG1-CG2 4.38Å; V922-I953 HydrophobicContact CG2-CG2 4.09Å; I953-V961 HydrophobicContact CB-CG1 4.15Å; I953-V961 HydrophobicContact CG2-CG1 3.89Å; I953-A964 HydrophobicContact CG2-CB 4.02Å; I953-I968 HydrophobicContact CD1-CD1 3.44Å; I953-I968 VanDerWaalsContact CD1-CD1 3.44Å; I953-I968 HydrophobicContact CG1-CD1 4.22Å
954	E	91.6	Very high	83.5	Confident	61 Å²	61	58.9 Å²	58.9	29%	0.285	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	127.1	-177.6	-68.5	178.3	-136.5	0	0	110.3	Y890 E891 G923 R927	Y890-E954 WeakPolarHBondContact O-CA 3.42Å; E891-E954 HydrophobicContact CB-CG 4.27Å; E891-E954 HydrophobicContact CG-CG 3.98Å; G923-E954 PolarHBondContact N-O 3.38Å; G923-E954 PolarHBondContact O-N 2.85Å; R927-E954 IonicContact CZ-OE1 3.62Å; R927-E954 IonicContact NH1-OE1 3.86Å; R927-E954 IonicContact NH2-OE1 3.68Å; R927-E954 PolarHBondContact NH2-OE1 2.94Å
955	A	88.9	Confident	85	Confident	9 Å²	9	58.2 Å²	58.2	7%	0.074	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	166.2	176.9	0	0	0	0	0	113.3	R889 Y890 V922 Q960 V961	R889-A955 WeakPolarHBondContact CA-O 3.38Å; Y890-A955 PolarHBondContact N-O 2.84Å; Y890-A955 PolarHBondContact O-N 2.68Å; V922-A955 HydrophobicContact CB-CB 4.32Å; V922-A955 HydrophobicContact CG1-CB 3.72Å; A955-Q960 HydrophobicContact CB-CB 3.82Å; A955-V961 HydrophobicContact CB-CG2 3.54Å
956	V	87.5	Confident	86.4	Confident	77 Å²	77	57.8 Å²	57.8	47%	0.467	28%	0.282	S	S	.	.	S	Bend	trans	-81	-29	176.3	-136.8	0	0	0	0	112.1	V887 Y890	V887-V956 HydrophobicContact CG1-CG1 3.45Å; V887-V956 VanDerWaalsContact CG1-CG1 3.45Å; Y890-V956 WeakPolarHBondContact CD2-O 3.48Å; Y890-V956 WeakPolarHBondContact CE2-O 3.31Å
957	N	84.9	Confident	87.6	Confident	94 Å²	94	54.3 Å²	54.3	50%	0.503	26%	0.263	S	S	.	.	S	Bend	trans	-118.1	135.1	176.4	-58.1	-84.3	0	0	0	111.6	R959 Q960 V961	N957-R959 PolarHBondContact O-N 3.03Å; N957-R959 VanDerWaalsContact O-N 3.12Å; N957-Q960 HydrophobicContact CB-CG 4.16Å; N957-Q960 PolarHBondContact ND2-OE1 3.09Å; N957-Q960 WeakPolarHBondContact O-CB 3.4Å; N957-Q960 PolarHBondContact O-N 3.46Å; N957-V961 PolarHBondContact O-N 3.4Å
958	E	86.1	Confident	88.1	Confident	119 Å²	119	49.9 Å²	49.9	56%	0.556	25%	0.246	S	C	*	.	H	α-helix	trans	-48.3	-39.3	170.8	-160	176.7	154.2	0	0	112.7	Y890 Q960 V961 A962	Y890-E958 HydrophobicContact CD1-CB 3.68Å; Y890-E958 HydrophobicContact CD1-CG 3.81Å; Y890-E958 HydrophobicContact CD2-CB 4.47Å; Y890-E958 HydrophobicContact CE1-CB 3.54Å; Y890-E958 HydrophobicContact CE1-CG 3.81Å; Y890-E958 WeakPolarHBondContact CE1-OE2 3.44Å; Y890-E958 HydrophobicContact CE2-CB 4.38Å; Y890-E958 HydrophobicContact CG-CB 4.16Å; E958-Q960 VanDerWaalsContact C-N 3.3Å; E958-Q960 PolarHBondContact O-N 2.88Å; E958-V961 PolarHBondContact O-N 2.91Å; E958-A962 WeakPolarHBondContact O-CB 3.34Å; E958-A962 PolarHBondContact O-N 2.85Å
959	R	85.2	Confident	88.4	Confident	217 Å²	217	50.3 Å²	50.3	82%	0.819	25%	0.245	S	C	*	.	H	α-helix	trans	-63.3	-30.5	178.7	-170.4	176.8	-179.9	-172.8	-0.2	113.5	N957 L963	N957-R959 PolarHBondContact O-N 3.03Å; N957-R959 VanDerWaalsContact O-N 3.12Å; R959-L963 WeakPolarHBondContact O-CB 3.44Å; R959-L963 PolarHBondContact O-N 2.9Å; R959-L963 VanDerWaalsContact O-N 3.08Å
960	Q	88.4	Confident	88.4	Confident	29 Å²	29	54.8 Å²	54.8	14%	0.136	26%	0.261	C	S	.	.	H	α-helix	trans	-73.6	-43.9	176.6	-67.1	168.6	-67.5	0	0	110.3	D921 V922 A955 N957 E958 A962 L963 A964	D921-Q960 PolarHBondContact O-NE2 2.81Å; D921-Q960 VanDerWaalsContact O-NE2 3.16Å; D921-Q960 PolarHBondContact OD2-NE2 2.85Å; V922-Q960 HydrophobicContact CG1-CB 3.7Å; A955-Q960 HydrophobicContact CB-CB 3.82Å; N957-Q960 HydrophobicContact CB-CG 4.16Å; N957-Q960 PolarHBondContact ND2-OE1 3.09Å; N957-Q960 WeakPolarHBondContact O-CB 3.4Å; N957-Q960 PolarHBondContact O-N 3.46Å; E958-Q960 VanDerWaalsContact C-N 3.3Å; E958-Q960 PolarHBondContact O-N 2.88Å; Q960-A962 PolarHBondContact O-N 3.19Å; Q960-L963 PolarHBondContact O-N 3.34Å; Q960-A964 PolarHBondContact O-N 2.8Å
961	V	88.4	Confident	88.3	Confident	6 Å²	6	54.5 Å²	54.5	4%	0.036	26%	0.26	C	S	.	.	H	α-helix	trans	-59.2	-47.2	173.8	-168.1	0	0	0	0	110.9	E892 I953 A955 N957 E958 L963 A964 K965	E892-V961 HydrophobicContact CB-CG1 3.63Å; E892-V961 VanDerWaalsContact OE2-CG1 3.32Å; E892-V961 WeakPolarHBondContact OE2-CG1 3.37Å; I953-V961 HydrophobicContact CB-CG1 4.15Å; I953-V961 HydrophobicContact CG2-CG1 3.89Å; A955-V961 HydrophobicContact CB-CG2 3.54Å; N957-V961 PolarHBondContact O-N 3.4Å; E958-V961 PolarHBondContact O-N 2.91Å; V961-L963 VanDerWaalsContact C-N 3.32Å; V961-L963 PolarHBondContact O-N 2.84Å; V961-A964 PolarHBondContact O-N 3.22Å; V961-K965 WeakPolarHBondContact O-CB 3.46Å; V961-K965 PolarHBondContact O-N 3.04Å
962	A	86.7	Confident	88.2	Confident	57 Å²	57	54.5 Å²	54.5	47%	0.471	26%	0.26	S	S	.	.	H	α-helix	trans	-62.9	-35.2	178	0	0	0	0	0	113.2	E958 Q960 K966	E958-A962 WeakPolarHBondContact O-CB 3.34Å; E958-A962 PolarHBondContact O-N 2.85Å; Q960-A962 PolarHBondContact O-N 3.19Å; A962-K966 WeakPolarHBondContact O-CB 3.46Å; A962-K966 PolarHBondContact O-N 2.83Å; A962-K966 VanDerWaalsContact O-N 3.1Å
963	L	89.5	Confident	87.9	Confident	80 Å²	80	58 Å²	58	42%	0.419	28%	0.276	S	S	.	.	H	α-helix	trans	-66.5	-47.2	174	-166.7	74.9	0	0	0	110.9	C920 R959 Q960 V961 K965 K966 E967	C920-L963 HydrophobicContact CB-CD2 4.3Å; R959-L963 WeakPolarHBondContact O-CB 3.44Å; R959-L963 PolarHBondContact O-N 2.9Å; R959-L963 VanDerWaalsContact O-N 3.08Å; Q960-L963 PolarHBondContact O-N 3.34Å; V961-L963 VanDerWaalsContact C-N 3.32Å; V961-L963 PolarHBondContact O-N 2.84Å; L963-K965 PolarHBondContact O-N 3.03Å; L963-K966 PolarHBondContact O-N 3.44Å; L963-E967 PolarHBondContact O-N 3.28Å
964	A	89.9	Confident	87.6	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-60.9	-44.3	177.1	0	0	0	0	0	112.1	C920 V922 I953 Q960 V961 K966 E967 I968	C920-A964 HydrophobicContact CB-CB 3.89Å; V922-A964 HydrophobicContact CG1-CB 4.2Å; V922-A964 HydrophobicContact CG2-CB 3.78Å; I953-A964 HydrophobicContact CG2-CB 4.02Å; Q960-A964 PolarHBondContact O-N 2.8Å; V961-A964 PolarHBondContact O-N 3.22Å; A964-K966 VanDerWaalsContact C-N 3.32Å; A964-K966 PolarHBondContact O-N 3.02Å; A964-E967 PolarHBondContact O-N 3.17Å; A964-I968 WeakPolarHBondContact O-CB 3.34Å; A964-I968 WeakPolarHBondContact O-CD1 3.49Å; A964-I968 VanDerWaalsContact O-CG1 3.23Å; A964-I968 WeakPolarHBondContact O-CG1 3.47Å; A964-I968 PolarHBondContact O-N 3.45Å
965	K	88.9	Confident	87.2	Confident	48 Å²	48	60.3 Å²	60.3	21%	0.209	29%	0.286	C	S	.	.	H	α-helix	trans	-56.4	-44.7	173.5	-175	178.6	-173.1	165.9	0	111.7	T752 E892 L894 V961 L963 I968 M969	T752-K965 PolarHBondContact OG1-NZ 3.18Å; E892-K965 WeakPolarHBondContact OE1-CD 3.33Å; E892-K965 WeakPolarHBondContact OE1-CE 3.24Å; E892-K965 IonicContact OE1-NZ 2.72Å; E892-K965 PolarHBondContact OE1-NZ 3.45Å; L894-K965 HydrophobicContact CD1-CG 4.28Å; V961-K965 WeakPolarHBondContact O-CB 3.46Å; V961-K965 PolarHBondContact O-N 3.04Å; L963-K965 PolarHBondContact O-N 3.03Å; K965-I968 PolarHBondContact O-N 3.12Å; K965-M969 HydrophobicContact CG-CE 4.35Å; K965-M969 WeakPolarHBondContact O-CG 3.26Å; K965-M969 PolarHBondContact O-N 3.2Å
966	K	88.4	Confident	86.8	Confident	149 Å²	149	61.8 Å²	61.8	65%	0.648	29%	0.293	S	S	*	.	H	α-helix	trans	-63.9	-40.6	177.6	-171	173.1	-178.7	176.1	0	112.2	A962 L963 A964 M969 R970	A962-K966 WeakPolarHBondContact O-CB 3.46Å; A962-K966 PolarHBondContact O-N 2.83Å; A962-K966 VanDerWaalsContact O-N 3.1Å; L963-K966 PolarHBondContact O-N 3.44Å; A964-K966 VanDerWaalsContact C-N 3.32Å; A964-K966 PolarHBondContact O-N 3.02Å; K966-M969 PolarHBondContact O-N 3.08Å; K966-R970 PolarHBondContact O-N 3.47Å
967	E	89.8	Confident	86.4	Confident	19 Å²	19	61.8 Å²	61.8	9%	0.089	29%	0.293	C	S	.	.	H	α-helix	trans	-72.6	-37.3	178.9	-171.5	57.4	-162.9	0	0	112.5	H915 L916 Y919 L963 A964 M969 R970 I971	H915-E967 IonicContact CE1-OE1 2.82Å; L916-E967 HydrophobicContact CD2-CB 4.11Å; L916-E967 HydrophobicContact CD2-CG 4.12Å; Y919-E967 HydrophobicContact CD1-CG 4.46Å; L963-E967 PolarHBondContact O-N 3.28Å; A964-E967 PolarHBondContact O-N 3.17Å; E967-M969 VanDerWaalsContact C-N 3.35Å; E967-M969 PolarHBondContact O-N 3.36Å; E967-R970 VanDerWaalsContact CD-NE 3.31Å; E967-R970 WeakPolarHBondContact O-CB 3.03Å; E967-R970 PolarHBondContact O-N 2.88Å; E967-R970 IonicContact OE1-CZ 3.55Å; E967-R970 VanDerWaalsContact OE1-CZ 3.3Å; E967-R970 IonicContact OE1-NE 3.67Å; E967-R970 PolarHBondContact OE1-NE 3.03Å; E967-R970 VanDerWaalsContact OE1-NE 3.08Å; E967-R970 IonicContact OE1-NH2 2.66Å; E967-R970 PolarHBondContact OE1-NH2 3.25Å; E967-R970 WeakPolarHBondContact OE2-CD 3.46Å; E967-R970 IonicContact OE2-CZ 3.57Å; E967-R970 IonicContact OE2-NE 2.72Å; E967-R970 PolarHBondContact OE2-NE 2.88Å; E967-R970 IonicContact OE2-NH2 2.65Å; E967-I971 HydrophobicContact CG-CD1 4.17Å; E967-I971 WeakPolarHBondContact O-CG1 3.34Å; E967-I971 PolarHBondContact O-N 2.72Å
968	I	89.5	Confident	85.9	Confident	0 Å²	0	62 Å²	62	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-56.3	-48.7	169	-69.2	159.8	0	0	0	110.4	L894 I907 M912 L916 I953 A964 K965 R970 I971 I972	L894-I968 HydrophobicContact CD1-CD1 4.3Å; L894-I968 HydrophobicContact CD1-CG2 4.11Å; L894-I968 HydrophobicContact CD2-CG2 4.26Å; I907-I968 HydrophobicContact CG2-CG2 4.35Å; M912-I968 HydrophobicContact CE-CB 4.44Å; M912-I968 HydrophobicContact CE-CG1 3.89Å; L916-I968 HydrophobicContact CD1-CD1 3.9Å; L916-I968 HydrophobicContact CD1-CG1 3.61Å; L916-I968 HydrophobicContact CD2-CG1 4.05Å; L916-I968 HydrophobicContact CG-CG1 4.49Å; I953-I968 HydrophobicContact CD1-CD1 3.44Å; I953-I968 VanDerWaalsContact CD1-CD1 3.44Å; I953-I968 HydrophobicContact CG1-CD1 4.22Å; A964-I968 WeakPolarHBondContact O-CB 3.34Å; A964-I968 WeakPolarHBondContact O-CD1 3.49Å; A964-I968 VanDerWaalsContact O-CG1 3.23Å; A964-I968 WeakPolarHBondContact O-CG1 3.47Å; A964-I968 PolarHBondContact O-N 3.45Å; K965-I968 PolarHBondContact O-N 3.12Å; I968-R970 VanDerWaalsContact C-N 3.34Å; I968-R970 PolarHBondContact O-N 3Å; I968-I971 PolarHBondContact O-N 2.79Å; I968-I972 HydrophobicContact CG2-CD1 3.81Å; I968-I972 WeakPolarHBondContact O-CG1 3.37Å; I968-I972 PolarHBondContact O-N 3.49Å
969	M	85.7	Confident	85.2	Confident	48 Å²	48	60.4 Å²	60.4	24%	0.236	28%	0.284	C	S	.	.	H	α-helix	trans	-62.6	-38.5	177.1	-71.9	-169.7	-63.6	0	0	112.8	L750 K965 K966 E967 I972 K973	L750-M969 HydrophobicContact CD1-CG 3.58Å; L750-M969 HydrophobicContact CD1-SD 3.56Å; L750-M969 VanDerWaalsContact CD1-SD 3.56Å; K965-M969 HydrophobicContact CG-CE 4.35Å; K965-M969 WeakPolarHBondContact O-CG 3.26Å; K965-M969 PolarHBondContact O-N 3.2Å; K966-M969 PolarHBondContact O-N 3.08Å; E967-M969 VanDerWaalsContact C-N 3.35Å; E967-M969 PolarHBondContact O-N 3.36Å; M969-I972 PolarHBondContact O-N 3.49Å; M969-K973 WeakPolarHBondContact O-CG 3.44Å; M969-K973 PolarHBondContact O-N 2.87Å
970	R	87.7	Confident	84.1	Confident	116 Å²	116	54.9 Å²	54.9	44%	0.438	27%	0.267	S	S	.	.	H	α-helix	trans	-60.9	-45	176.4	-160.5	-175.2	71.4	70.3	8.7	111.4	K966 E967 I968 K973 E974	K966-R970 PolarHBondContact O-N 3.47Å; E967-R970 VanDerWaalsContact CD-NE 3.31Å; E967-R970 WeakPolarHBondContact O-CB 3.03Å; E967-R970 PolarHBondContact O-N 2.88Å; E967-R970 IonicContact OE1-CZ 3.55Å; E967-R970 VanDerWaalsContact OE1-CZ 3.3Å; E967-R970 IonicContact OE1-NE 3.67Å; E967-R970 PolarHBondContact OE1-NE 3.03Å; E967-R970 VanDerWaalsContact OE1-NE 3.08Å; E967-R970 IonicContact OE1-NH2 2.66Å; E967-R970 PolarHBondContact OE1-NH2 3.25Å; E967-R970 WeakPolarHBondContact OE2-CD 3.46Å; E967-R970 IonicContact OE2-CZ 3.57Å; E967-R970 IonicContact OE2-NE 2.72Å; E967-R970 PolarHBondContact OE2-NE 2.88Å; E967-R970 IonicContact OE2-NH2 2.65Å; I968-R970 VanDerWaalsContact C-N 3.34Å; I968-R970 PolarHBondContact O-N 3Å; R970-K973 PolarHBondContact O-N 3.46Å; R970-E974 IonicContact CZ-OE1 3.66Å; R970-E974 IonicContact NH1-OE1 2.98Å; R970-E974 PolarHBondContact NH1-OE1 3.3Å; R970-E974 IonicContact NH2-OE1 3.91Å; R970-E974 PolarHBondContact O-N 3.17Å
971	I	87	Confident	82.6	Confident	16 Å²	16	56.6 Å²	56.6	8%	0.082	28%	0.283	C	S	.	.	H	α-helix	trans	-69.4	-36.5	178.4	-67.5	163.2	0	0	0	111.7	R906 M912 E967 I968 E974 E975	R906-I971 HydrophobicContact CG-CG2 4.13Å; M912-I971 HydrophobicContact CE-CB 4.31Å; M912-I971 HydrophobicContact CE-CD1 3.52Å; M912-I971 HydrophobicContact CE-CG2 4.32Å; M912-I971 HydrophobicContact CG-CD1 4.03Å; E967-I971 HydrophobicContact CG-CD1 4.17Å; E967-I971 WeakPolarHBondContact O-CG1 3.34Å; E967-I971 PolarHBondContact O-N 2.72Å; I968-I971 PolarHBondContact O-N 2.79Å; I971-E974 PolarHBondContact O-N 3.03Å; I971-E975 PolarHBondContact O-N 2.97Å; I971-E975 VanDerWaalsContact O-N 3.1Å
972	I	86.7	Confident	80.8	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-57.9	-51.6	170.8	-74.2	162.6	0	0	0	110.6	F899 V903 I907 I968 M969 E974 E975 L976	F899-I972 HydrophobicContact CD1-CG2 4.15Å; F899-I972 HydrophobicContact CE1-CD1 4.42Å; F899-I972 HydrophobicContact CE1-CG2 3.72Å; F899-I972 HydrophobicContact CE2-CD1 4.22Å; F899-I972 HydrophobicContact CZ-CD1 4.02Å; F899-I972 HydrophobicContact CZ-CG2 4.33Å; V903-I972 HydrophobicContact CG1-CG1 4.12Å; V903-I972 HydrophobicContact CG1-CG2 4.48Å; I907-I972 HydrophobicContact CD1-CD1 4.02Å; I907-I972 HydrophobicContact CD1-CG1 3.48Å; I907-I972 VanDerWaalsContact CD1-CG1 3.48Å; I907-I972 HydrophobicContact CG1-CG1 4.36Å; I968-I972 HydrophobicContact CG2-CD1 3.81Å; I968-I972 WeakPolarHBondContact O-CG1 3.37Å; I968-I972 PolarHBondContact O-N 3.49Å; M969-I972 PolarHBondContact O-N 3.49Å; I972-E974 PolarHBondContact O-N 2.84Å; I972-E975 PolarHBondContact O-N 3.15Å; I972-L976 HydrophobicContact CG2-CD1 3.74Å; I972-L976 HydrophobicContact CG2-CG 4.48Å; I972-L976 WeakPolarHBondContact O-CB 3.22Å; I972-L976 VanDerWaalsContact O-CG 3.31Å; I972-L976 WeakPolarHBondContact O-CG 3.39Å; I972-L976 PolarHBondContact O-N 2.99Å
973	K	83.9	Confident	78.5	Confident	74 Å²	74	63.3 Å²	63.3	32%	0.322	33%	0.328	S	S	.	.	H	α-helix	trans	-60.8	-44.5	179.7	-71	-173.4	-173.9	-168.5	0	111.5	D743 I746 M969 R970 E975 L976 V977	D743-K973 WeakPolarHBondContact OD1-CE 3.41Å; D743-K973 IonicContact OD1-NZ 3.29Å; D743-K973 PolarHBondContact OD1-NZ 3.48Å; D743-K973 IonicContact OD2-NZ 2.69Å; D743-K973 PolarHBondContact OD2-NZ 3.42Å; I746-K973 HydrophobicContact CD1-CD 4.28Å; I746-K973 HydrophobicContact CD1-CG 3.67Å; M969-K973 WeakPolarHBondContact O-CG 3.44Å; M969-K973 PolarHBondContact O-N 2.87Å; R970-K973 PolarHBondContact O-N 3.46Å; K973-E975 PolarHBondContact O-N 3.15Å; K973-L976 PolarHBondContact O-N 2.84Å; K973-V977 WeakPolarHBondContact O-CG2 3.3Å; K973-V977 PolarHBondContact O-N 2.82Å
974	E	84.8	Confident	76.1	Confident	74 Å²	74	65.2 Å²	65.2	35%	0.346	35%	0.347	S	S	.	.	H	α-helix	trans	-56.9	-49.6	176.1	-90.1	-164.9	-148.9	0	0	113.6	R970 I971 I972 V977 K978	R970-E974 IonicContact CZ-OE1 3.66Å; R970-E974 IonicContact NH1-OE1 2.98Å; R970-E974 PolarHBondContact NH1-OE1 3.3Å; R970-E974 IonicContact NH2-OE1 3.91Å; R970-E974 PolarHBondContact O-N 3.17Å; I971-E974 PolarHBondContact O-N 3.03Å; I972-E974 PolarHBondContact O-N 2.84Å; E974-V977 PolarHBondContact O-N 2.83Å; E974-K978 VanDerWaalsContact O-CG 3.27Å; E974-K978 WeakPolarHBondContact O-CG 3.5Å; E974-K978 PolarHBondContact O-N 2.92Å; E974-K978 WeakPolarHBondContact OE2-CE 3.45Å; E974-K978 IonicContact OE2-NZ 2.67Å; E974-K978 PolarHBondContact OE2-NZ 3.49Å
975	E	82.8	Confident	73.7	Confident	35 Å²	35	71.2 Å²	71.2	16%	0.164	38%	0.378	C	S	.	.	H	α-helix	trans	-73.2	-27.2	-177.5	-67.3	-58	137.1	0	0	112.7	V903 R906 I971 I972 K973 K978 L979	V903-E975 HydrophobicContact CG2-CB 4.02Å; R906-E975 HydrophobicContact CB-CG 4.07Å; R906-E975 HydrophobicContact CG-CG 3.89Å; I971-E975 PolarHBondContact O-N 2.97Å; I971-E975 VanDerWaalsContact O-N 3.1Å; I972-E975 PolarHBondContact O-N 3.15Å; K973-E975 PolarHBondContact O-N 3.15Å; E975-K978 WeakPolarHBondContact OE1-CD 3.22Å; E975-K978 IonicContact OE1-NZ 3.61Å; E975-K978 PolarHBondContact OE1-NZ 3.14Å; E975-L979 WeakPolarHBondContact O-CG 3.09Å; E975-L979 PolarHBondContact O-N 3.03Å; E975-L979 VanDerWaalsContact O-N 3.08Å
976	L	81.1	Confident	71	Confident	39 Å²	39	75.3 Å²	75.3	20%	0.204	40%	0.402	C	S	.	.	H	α-helix	trans	-67.3	-40	169.6	-71	171.2	0	0	0	111.8	I746 P900 V903 I972 K973 L979 Q980	I746-L976 HydrophobicContact CD1-CD1 4.43Å; P900-L976 HydrophobicContact CG-CD2 4.06Å; V903-L976 HydrophobicContact CG2-CD2 3.98Å; V903-L976 HydrophobicContact CG2-CG 4.19Å; I972-L976 HydrophobicContact CG2-CD1 3.74Å; I972-L976 HydrophobicContact CG2-CG 4.48Å; I972-L976 WeakPolarHBondContact O-CB 3.22Å; I972-L976 VanDerWaalsContact O-CG 3.31Å; I972-L976 WeakPolarHBondContact O-CG 3.39Å; I972-L976 PolarHBondContact O-N 2.99Å; K973-L976 PolarHBondContact O-N 2.84Å; L976-L979 WeakPolarHBondContact O-CB 3.5Å; L976-L979 PolarHBondContact O-N 2.98Å; L976-Q980 PolarHBondContact O-N 2.75Å
977	V	78.5	Confident	68.6	Low	78 Å²	78	79.1 Å²	79.1	47%	0.473	41%	0.413	S	S	.	.	H	α-helix	trans	-70.2	-37	175.1	172.1	0	0	0	0	111.9	K973 E974 L979 Q980 S981	K973-V977 WeakPolarHBondContact O-CG2 3.3Å; K973-V977 PolarHBondContact O-N 2.82Å; E974-V977 PolarHBondContact O-N 2.83Å; V977-L979 PolarHBondContact O-N 3.34Å; V977-Q980 PolarHBondContact O-N 3.04Å; V977-S981 WeakPolarHBondContact O-CB 3.2Å; V977-S981 PolarHBondContact O-N 3.07Å; V977-S981 PolarHBondContact O-OG 3.13Å
978	K	75.5	Confident	65.9	Low	99 Å²	99	81.7 Å²	81.7	43%	0.43	45%	0.445	S	S	.	.	H	α-helix	trans	-64.6	-24.8	171.5	-68.8	165.5	-154.7	167.8	0	112.4	E974 E975	E974-K978 VanDerWaalsContact O-CG 3.27Å; E974-K978 WeakPolarHBondContact O-CG 3.5Å; E974-K978 PolarHBondContact O-N 2.92Å; E974-K978 WeakPolarHBondContact OE2-CE 3.45Å; E974-K978 IonicContact OE2-NZ 2.67Å; E974-K978 PolarHBondContact OE2-NZ 3.49Å; E975-K978 WeakPolarHBondContact OE1-CD 3.22Å; E975-K978 IonicContact OE1-NZ 3.61Å; E975-K978 PolarHBondContact OE1-NZ 3.14Å
979	L	71.6	Confident	63.5	Low	85 Å²	85	91.8 Å²	91.8	45%	0.445	48%	0.482	S	S	.	.	H	α-helix	trans	-78.8	-27.7	172.7	-79.6	165.8	0	0	0	114.1	P900 N902 V903 E975 L976 V977	P900-L979 HydrophobicContact CB-CD1 4.3Å; N902-L979 HydrophobicContact CB-CD1 4.29Å; N902-L979 WeakPolarHBondContact ND2-CD2 3.45Å; V903-L979 HydrophobicContact CG2-CD1 4.12Å; E975-L979 WeakPolarHBondContact O-CG 3.09Å; E975-L979 PolarHBondContact O-N 3.03Å; E975-L979 VanDerWaalsContact O-N 3.08Å; L976-L979 WeakPolarHBondContact O-CB 3.5Å; L976-L979 PolarHBondContact O-N 2.98Å; V977-L979 PolarHBondContact O-N 3.34Å
980	Q	60.6	Low	61.2	Low	100 Å²	100	98 Å²	98	47%	0.467	51%	0.505	S	S	.	.	H	α-helix	trans	-75.7	-37.6	170.9	-67.6	171	-15.8	0	0	111.4	L976 V977 G982	L976-Q980 PolarHBondContact O-N 2.75Å; V977-Q980 PolarHBondContact O-N 3.04Å; Q980-G982 PolarHBondContact O-N 3.38Å
981	S	56.7	Low	59	Low	65 Å²	65	102 Å²	102	46%	0.455	53%	0.525	S	S	.	.	S	Bend	trans	-71.4	96.4	178.3	-60	0	0	0	0	110.8	V977 N983	V977-S981 WeakPolarHBondContact O-CB 3.2Å; V977-S981 PolarHBondContact O-N 3.07Å; V977-S981 PolarHBondContact O-OG 3.13Å; S981-N983 PolarHBondContact O-N 3.04Å
982	G	51.4	Low	56.8	Low	73 Å²	73	107.4 Å²	107.4	75%	0.753	56%	0.559	S	S	*	*			trans	-61.8	20.3	-171.2	0	0	0	0	0	118.6	Q980 S984	Q980-G982 PolarHBondContact O-N 3.38Å; G982-S984 PolarHBondContact O-N 3.37Å
983	N	38.7	Very low	54.6	Low	132 Å²	132	117.1 Å²	117.1	71%	0.706	62%	0.618	S	S	*	*			trans	-67.9	89.9	170.5	-87.9	-10.8	0	0	0	111	S981 I985	S981-N983 PolarHBondContact O-N 3.04Å; N983-I985 HydrophobicContact CB-CD1 4.29Å; N983-I985 HydrophobicContact CB-CG1 4.14Å; N983-I985 PolarHBondContact O-N 2.87Å
984	S	38.9	Very low	53.1	Low	119 Å²	119	119.3 Å²	119.3	83%	0.832	63%	0.633	S	S	*	*			trans	-65.2	70.5	166.9	-65.8	0	0	0	0	111.8	G982 N986	G982-S984 PolarHBondContact O-N 3.37Å; S984-N986 PolarHBondContact O-N 3.44Å
985	I	39.2	Very low	51.5	Low	126 Å²	126	121.7 Å²	121.7	65%	0.646	65%	0.648	S	S	*	*			trans	-72.6	95.4	178.5	-64.7	169.4	0	0	0	109.6	N983 R987	N983-I985 HydrophobicContact CB-CD1 4.29Å; N983-I985 HydrophobicContact CB-CG1 4.14Å; N983-I985 PolarHBondContact O-N 2.87Å; I985-R987 PolarHBondContact O-N 3.35Å; I985-R987 VanDerWaalsContact O-N 3.09Å
986	N	31.8	Very low	49.7	Very low	134 Å²	134	126.5 Å²	126.5	72%	0.717	68%	0.675	S	S	*	*			trans	40	57.8	145.9	-66.1	-18.3	0	0	0	116.9	S984 G988	S984-N986 PolarHBondContact O-N 3.44Å; N986-G988 PolarHBondContact O-N 2.59Å
987	R	39.2	Very low	47.9	Very low	230 Å²	230	131.6 Å²	131.6	87%	0.868	70%	0.702	S	S	*	*			trans	-90.4	54.1	165	-69.1	-165.5	177.2	-169.2	1.2	112.1	I985	I985-R987 PolarHBondContact O-N 3.35Å; I985-R987 VanDerWaalsContact O-N 3.09Å
988	G	32.9	Very low	46	Very low	73 Å²	73	135 Å²	135	75%	0.753	72%	0.717	S	S	*	*			trans	-126.7	60.5	173.5	0	0	0	0	0	110.8	N986	N986-G988 PolarHBondContact O-N 2.59Å
989	R	39.5	Very low	44	Very low	211 Å²	211	137.4 Å²	137.4	80%	0.796	74%	0.736	S	S	*	*			trans	-134.3	124.2	171.6	-71.1	-169.1	-172	167.2	6	110.4
990	Y	37.1	Very low	42	Very low	179 Å²	179	141.1 Å²	141.1	70%	0.702	76%	0.756	S	S	*	*			trans	-56.1	136.1	169.2	-61.4	-88.5	0	0	0	110.7
991	K	41.8	Very low	40.6	Very low	199 Å²	199	144.3 Å²	144.3	87%	0.865	78%	0.779	S	S	*	*			trans	-106.8	111.4	154.1	-168	176.1	-175.8	179.7	0	106.7
992	V	39.3	Very low	39.3	Very low	131 Å²	131	150.9 Å²	150.9	79%	0.794	81%	0.806	S	S	*	*			trans	-65.7	139.7	166.8	-177.9	0	0	0	0	107.4
993	V	41.6	Very low	38.2	Very low	204 Å²	204	158 Å²	158	100%	1.236	81%	0.81	S	S	*	*			trans	-93.7	0	171.3	-179.8	0	0	0	0	108.3

Retrieved 993 of 993 residues in 1282.8 ms (Link to these results)

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