A0A061AD51_CAEEL Loading...

Protein kinase domain-containing protein

AlphaFold DB , UniProt , Accession A0A061AD51, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 924 aa.

						>A0A061AD51_CAEEL|A0A061AD51
MDTTIQSIRISSNLPINNTSTMVPNDVFQKLLYDLFCMWHGVQRHYDPPIPDSEEQRMQKVKNLICKLLTEIDGRVNRIKQNNNHQRGQDFYEEWTMLTWNVLCITNRLQNSLSQVVVSNEDKMIYSRLNQALVELVNYSRDFLPFPSTNEMDPEYVMLRDKMNQTMMSLHGLYRQMNSAMYQTPDDVENFRIHLQTFGDDILVPCLEQYKTFCNKNCMALWQQVRLVQVERMRDQVKDQGCSIENLVSFYSNMTYVLAVLGARLQGFRYDLTVNKKFFNFDPVVHMSEAVFAALELLMSNCVLATEPSTSAILVTNNLFAMNCGALARGVVFKDFEIQVVSEETAEHIQSEMSRQRLLQHPAPIGNVPSAALLAMKPTTGTKRSNAASNSDSANNTAHKKSDVNSKESVIIYPVYNSKNRYWAATYPHLLCTTRQKGRQSIHSSYQDLSPSGTNSSASNDKNGSGKRPIFYFHIKATMFSPSGRFATAHTLSLPFTIATRRNQDCQVQRMMSSYTATIFWLYGCNTQDGLLLQWIDGGMHWDHFKHLFKQHFKVNADVQRSLIDNDFELLKYKLQCPDCCSGQDGARVNGVQQIVTFKNVLCPHLRYECNSTNVRFSVWRGMLELLQIFHDTRNNVRKLWEMGFLMGFMEFEEVDNMLEKHKSALIMRLSFVTGGTICFTVKSLAHTLDPRSSRPIHLEPLDLKRLQQKCLKDYLRDIADAEKVKYILTANEEVINIESLLESLKELGVKPENPSESREISSNITHMGDIDTMQHIKFTAMRIAVVTCKVKPPSADQEENDANGLNRLQATLGTRDDDFLRDFVQLANAYGKSKQDLYEALDFINDQYQPGPIRKTSSIYDSSHHIPLAPAPIARNMGPTMISPPPAKPPSQLPSPNQTTIPHMYNNGIPMIYEHHQQQRFDY
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.2	Very low	24.9	Very low	231 Å²	231	153.8 Å²	153.8	100%	1.138	81%	0.812	S	S	*	*				0	114.1	0	-63.1	176.7	-173.7	0	0	107.2
2	D	24.6	Very low	25.7	Very low	142 Å²	142	149.4 Å²	149.4	76%	0.759	80%	0.803	S	S	*	*			cis	-151.9	134.2	-8.3	-89.6	-34.5	0	0	0	107.5
3	T	24.5	Very low	25.9	Very low	118 Å²	118	150.2 Å²	150.2	72%	0.724	81%	0.807	S	S	*	*			trans	-6	131.4	147.4	41.2	0	0	0	0	118.8
4	T	24.9	Very low	25.9	Very low	145 Å²	145	151.2 Å²	151.2	89%	0.89	81%	0.811	S	S	*	*				-151.2	113.5	122.4	-16.9	0	0	0	0	112.1
5	I	25.9	Very low	26	Very low	148 Å²	148	147.7 Å²	147.7	76%	0.759	80%	0.8	S	S	*	*			trans	-87.6	132.9	161.7	-72.2	158.4	0	0	0	106.7
6	Q	24.2	Very low	26.4	Very low	198 Å²	198	147.4 Å²	147.4	93%	0.925	80%	0.795	S	S	*	*			trans	-159	142.9	137.2	-111.8	176.7	12.5	0	0	111.4
7	S	22.4	Very low	26.6	Very low	89 Å²	89	146.6 Å²	146.6	62%	0.622	79%	0.791	S	S	*	*			trans	-115.2	175.6	-154.6	45	0	0	0	0	112
8	I	24.1	Very low	27	Very low	138 Å²	138	146.9 Å²	146.9	71%	0.708	79%	0.792	S	S	*	*			trans	91	119.3	158.3	-49.1	171.1	0	0	0	112.4
9	R	22.3	Very low	27.5	Very low	215 Å²	215	144.8 Å²	144.8	81%	0.811	79%	0.785	S	S	*	*				-170.9	131	51.7	-139.3	155.1	-148.4	-162.3	6.7	113.1
10	I	28.6	Very low	28.3	Very low	150 Å²	150	142.9 Å²	142.9	77%	0.769	78%	0.782	S	S	*	*			trans	49	108.6	131.4	-47.2	174.8	0	0	0	119.2
11	S	23.5	Very low	29.8	Very low	118 Å²	118	142.1 Å²	142.1	83%	0.825	78%	0.782	S	S	*	*			trans	-140.5	110.6	138.6	57.4	0	0	0	0	109.5	N13	S11-N13 PolarHBondContact O-N 2.92Å
12	S	34.6	Very low	32	Very low	101 Å²	101	134.1 Å²	134.1	71%	0.706	74%	0.743	S	S	*	*			trans	-51.2	120.1	172.5	46.5	0	0	0	0	112.6
13	N	27.7	Very low	34.8	Very low	159 Å²	159	129.2 Å²	129.2	85%	0.85	72%	0.718	S	S	*	*			trans	-160.6	95.4	147.8	-90.6	-27.7	0	0	0	107.8	S11 P15	S11-N13 PolarHBondContact O-N 2.92Å; N13-P15 VanDerWaalsContact O-CD 3.25Å; N13-P15 WeakPolarHBondContact O-CD 3.43Å
14	L	25.7	Very low	37.7	Very low	165 Å²	165	127.3 Å²	127.3	86%	0.864	71%	0.708	S	S	*	*			trans	-79.9	117.2	172.2	-88	149.2	0	0	0	109.1
15	P	28.2	Very low	40.4	Very low	99 Å²	99	122.5 Å²	122.5	64%	0.643	68%	0.676	S	S	*	*			trans	-79.3	124	142	30	-23.2	0	0	0	107.5	N13 N17	N13-P15 VanDerWaalsContact O-CD 3.25Å; N13-P15 WeakPolarHBondContact O-CD 3.43Å; P15-N17 VanDerWaalsContact C-N 3.3Å; P15-N17 PolarHBondContact O-N 3.41Å
16	I	32.4	Very low	43.2	Very low	143 Å²	143	118.8 Å²	118.8	73%	0.733	66%	0.658	S	S	*	*			trans	-66.7	90.3	173.4	-61.1	169.5	0	0	0	107.6	N18	I16-N18 HydrophobicContact CG2-CB 4.48Å; I16-N18 PolarHBondContact O-N 3.1Å
17	N	30.1	Very low	46.3	Very low	133 Å²	133	112.1 Å²	112.1	71%	0.711	63%	0.631	S	S	*	*			trans	-81.8	83.4	164.2	-91.2	-5.3	0	0	0	108.7	P15 T19	P15-N17 VanDerWaalsContact C-N 3.3Å; P15-N17 PolarHBondContact O-N 3.41Å; N17-T19 PolarHBondContact O-N 3.47Å; N17-T19 VanDerWaalsContact O-N 3.15Å
18	N	32.7	Very low	49.6	Very low	152 Å²	152	108 Å²	108	81%	0.813	60%	0.602	S	S	*	*			trans	-82.6	64.7	160.7	-89.7	-5	0	0	0	109.5	I16	I16-N18 HydrophobicContact CG2-CB 4.48Å; I16-N18 PolarHBondContact O-N 3.1Å
19	T	37	Very low	52.8	Low	108 Å²	108	101.6 Å²	101.6	66%	0.663	57%	0.569	S	S	*	*			trans	-97	85.4	155.9	50.4	0	0	0	0	106.7	N17 T21	N17-T19 PolarHBondContact O-N 3.47Å; N17-T19 VanDerWaalsContact O-N 3.15Å; T19-T21 PolarHBondContact O-N 3.35Å
20	S	44.6	Very low	56	Low	105 Å²	105	97.4 Å²	97.4	73%	0.734	56%	0.556	S	S	*	*			trans	-56.4	113.8	162.8	-166.5	0	0	0	0	106.5	M22	S20-M22 PolarHBondContact O-N 3.22Å
21	T	58.7	Low	59.1	Low	127 Å²	127	92.3 Å²	92.3	78%	0.779	53%	0.531	S	S	*	.			trans	-62.6	106	178.1	47.5	0	0	0	0	107.9	T19	T19-T21 PolarHBondContact O-N 3.35Å
22	M	75.7	Confident	62.4	Low	64 Å²	64	86.7 Å²	86.7	32%	0.315	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-54.6	145.8	179.6	-62.1	174.9	68.8	0	0	111.1	S20 R75 R78	S20-M22 PolarHBondContact O-N 3.22Å; M22-R75 VanDerWaalsContact CE-CA 3.46Å; M22-R75 HydrophobicContact CE-CB 3.88Å; M22-R75 HydrophobicContact CE-CG 3.13Å; M22-R75 VanDerWaalsContact CE-N 3.26Å; M22-R78 HydrophobicContact SD-CB 4.45Å
23	V	83.5	Confident	65.1	Low	38 Å²	38	82.5 Å²	82.5	23%	0.23	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-68.7	145.6	-178.5	-57.8	0	0	0	0	111.6	V27 F28 E71 R75	V23-V27 HydrophobicContact CB-CB 4.28Å; V23-V27 HydrophobicContact CB-CG1 4.07Å; V23-V27 HydrophobicContact CG1-CG1 4.48Å; V23-V27 HydrophobicContact CG2-CB 4.46Å; V23-V27 HydrophobicContact CG2-CG1 4.29Å; V23-F28 HydrophobicContact CG2-CB 3.96Å; V23-E71 HydrophobicContact CG2-CG 4.06Å; V23-E71 WeakPolarHBondContact CG2-OE2 3.38Å; V23-E71 PolarHBondContact N-OE2 3.44Å; V23-E71 VanDerWaalsContact N-OE2 3.13Å; V23-R75 PolarHBondContact O-NH2 3.29Å
24	P	84.6	Confident	68.2	Low	78 Å²	78	76.8 Å²	76.8	51%	0.506	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-52	151.6	172.2	-29	36.9	0	0	0	113.5	D26 V27 F28	P24-D26 VanDerWaalsContact C-N 3.33Å; P24-D26 WeakPolarHBondContact CB-OD1 3.32Å; P24-D26 PolarHBondContact O-N 2.88Å; P24-V27 HydrophobicContact CB-CG2 4.19Å; P24-V27 HydrophobicContact CG-CG2 4.37Å; P24-V27 WeakPolarHBondContact O-CB 3.38Å; P24-V27 PolarHBondContact O-N 3.27Å; P24-V27 VanDerWaalsContact O-N 3.11Å; P24-F28 PolarHBondContact O-N 3.44Å
25	N	82.4	Confident	71.4	Confident	44 Å²	44	69 Å²	69	24%	0.235	39%	0.389	C	S	.	.	H	α-helix	trans	-60.1	-38.6	-175.6	-83	5.3	0	0	0	113.5	F28 Q29 R75	N25-F28 PolarHBondContact O-N 3.26Å; N25-Q29 WeakPolarHBondContact O-CB 3.23Å; N25-Q29 WeakPolarHBondContact O-CG 3.3Å; N25-Q29 PolarHBondContact O-N 3.02Å; N25-R75 VanDerWaalsContact OD1-CZ 3.28Å; N25-R75 PolarHBondContact OD1-NH1 2.9Å; N25-R75 PolarHBondContact OD1-NH2 3.12Å
26	D	85.3	Confident	74.5	Confident	70 Å²	70	64.3 Å²	64.3	37%	0.374	36%	0.358	S	S	.	.	H	α-helix	trans	-61.5	-41.3	174.2	55.2	-48.4	0	0	0	112.4	P24 K30	P24-D26 VanDerWaalsContact C-N 3.33Å; P24-D26 WeakPolarHBondContact CB-OD1 3.32Å; P24-D26 PolarHBondContact O-N 2.88Å; D26-K30 VanDerWaalsContact O-CB 3.28Å; D26-K30 WeakPolarHBondContact O-CB 3.27Å; D26-K30 PolarHBondContact O-N 2.88Å
27	V	89.1	Confident	77.3	Confident	59 Å²	59	57.8 Å²	57.8	36%	0.358	33%	0.326	S	S	.	.	H	α-helix	trans	-67.2	-43.8	176.9	177.3	0	0	0	0	110.3	V23 P24 K30 L31	V23-V27 HydrophobicContact CB-CB 4.28Å; V23-V27 HydrophobicContact CB-CG1 4.07Å; V23-V27 HydrophobicContact CG1-CG1 4.48Å; V23-V27 HydrophobicContact CG2-CB 4.46Å; V23-V27 HydrophobicContact CG2-CG1 4.29Å; P24-V27 HydrophobicContact CB-CG2 4.19Å; P24-V27 HydrophobicContact CG-CG2 4.37Å; P24-V27 WeakPolarHBondContact O-CB 3.38Å; P24-V27 PolarHBondContact O-N 3.27Å; P24-V27 VanDerWaalsContact O-N 3.11Å; V27-K30 PolarHBondContact O-N 2.54Å; V27-L31 HydrophobicContact CG1-CD1 4.47Å; V27-L31 WeakPolarHBondContact O-CG 3.32Å; V27-L31 PolarHBondContact O-N 3.03Å
28	F	90.6	Very high	80.2	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.009	31%	0.305	C	S	.	.	H	α-helix	trans	-60.9	-46.9	176.3	-178.1	-104.8	0	0	0	112.4	V23 P24 N25 K30 L31 L32 L68 E71 I72 M97 L98	V23-F28 HydrophobicContact CG2-CB 3.96Å; P24-F28 PolarHBondContact O-N 3.44Å; N25-F28 PolarHBondContact O-N 3.26Å; F28-K30 VanDerWaalsContact C-N 3.32Å; F28-K30 PolarHBondContact O-N 3Å; F28-L31 WeakPolarHBondContact O-CB 3.28Å; F28-L31 PolarHBondContact O-N 3.26Å; F28-L32 HydrophobicContact CD1-CD1 3.96Å; F28-L32 HydrophobicContact CE1-CD1 3.5Å; F28-L32 VanDerWaalsContact CE1-CD1 3.5Å; F28-L32 HydrophobicContact CE1-CG 4.25Å; F28-L32 HydrophobicContact CZ-CD1 4.03Å; F28-L32 HydrophobicContact CZ-CG 4.39Å; F28-L32 PolarHBondContact O-N 2.91Å; F28-L68 HydrophobicContact CD2-CD2 4.02Å; F28-L68 HydrophobicContact CE2-CD2 3.68Å; F28-L68 HydrophobicContact CZ-CD2 4.36Å; F28-E71 HydrophobicContact CD2-CB 3.92Å; F28-E71 HydrophobicContact CE2-CB 3.88Å; F28-I72 HydrophobicContact CE2-CG1 4.24Å; F28-I72 HydrophobicContact CZ-CG1 4.05Å; F28-M97 HydrophobicContact CD1-CE 4.08Å; F28-M97 HydrophobicContact CD1-SD 4.16Å; F28-M97 HydrophobicContact CE1-CE 3.75Å; F28-M97 HydrophobicContact CE1-SD 3.58Å; F28-M97 VanDerWaalsContact CE1-SD 3.58Å; F28-L98 HydrophobicContact CE1-CD2 4.04Å; F28-L98 HydrophobicContact CZ-CD2 3.91Å
29	Q	90.8	Very high	82.9	Confident	3 Å²	3	48.6 Å²	48.6	1%	0.014	27%	0.273	C	S	.	.	H	α-helix	trans	-64.1	-38.1	177.9	-70.8	-70.7	-6.3	0	0	112.1	N25 L32 Y33 M97 Y416 W423	N25-Q29 WeakPolarHBondContact O-CB 3.23Å; N25-Q29 WeakPolarHBondContact O-CG 3.3Å; N25-Q29 PolarHBondContact O-N 3.02Å; Q29-L32 PolarHBondContact O-N 3.24Å; Q29-Y33 PolarHBondContact O-N 2.79Å; Q29-M97 PolarHBondContact NE2-SD 3.36Å; Q29-M97 VanDerWaalsContact NE2-SD 3.42Å; Q29-Y416 HydrophobicContact CB-CD1 3.98Å; Q29-Y416 HydrophobicContact CB-CD2 3.99Å; Q29-Y416 HydrophobicContact CB-CE1 4.5Å; Q29-Y416 HydrophobicContact CB-CG 3.69Å; Q29-Y416 HydrophobicContact CG-CD1 3.79Å; Q29-Y416 HydrophobicContact CG-CD2 3.74Å; Q29-Y416 HydrophobicContact CG-CE1 3.8Å; Q29-Y416 HydrophobicContact CG-CE2 3.76Å; Q29-Y416 HydrophobicContact CG-CG 3.74Å; Q29-W423 HydrophobicContact CB-CH2 4.21Å; Q29-W423 HydrophobicContact CB-CZ2 3.88Å
30	K	90.9	Very high	85.3	Confident	127 Å²	127	46.3 Å²	46.3	55%	0.552	25%	0.254	S	S	*	.	H	α-helix	trans	-63.1	-42.1	173.2	-175	178.5	178.3	-176.7	0	111.9	D26 V27 F28 L32 Y33 D34	D26-K30 VanDerWaalsContact O-CB 3.28Å; D26-K30 WeakPolarHBondContact O-CB 3.27Å; D26-K30 PolarHBondContact O-N 2.88Å; V27-K30 PolarHBondContact O-N 2.54Å; F28-K30 VanDerWaalsContact C-N 3.32Å; F28-K30 PolarHBondContact O-N 3Å; K30-L32 VanDerWaalsContact C-N 3.33Å; K30-L32 PolarHBondContact O-N 2.9Å; K30-Y33 PolarHBondContact O-N 3.17Å; K30-D34 WeakPolarHBondContact O-CB 3.41Å; K30-D34 PolarHBondContact O-N 3.2Å
31	L	92.6	Very high	87.2	Confident	44 Å²	44	42.6 Å²	42.6	23%	0.23	23%	0.233	C	C	.	.	H	α-helix	trans	-61.5	-40.3	175.8	-72.4	170.8	0	0	0	112.1	V27 F28 L35 L64 L68	V27-L31 HydrophobicContact CG1-CD1 4.47Å; V27-L31 WeakPolarHBondContact O-CG 3.32Å; V27-L31 PolarHBondContact O-N 3.03Å; F28-L31 WeakPolarHBondContact O-CB 3.28Å; F28-L31 PolarHBondContact O-N 3.26Å; L31-L35 VanDerWaalsContact O-CB 3.31Å; L31-L35 WeakPolarHBondContact O-CB 3.49Å; L31-L35 PolarHBondContact O-N 3.34Å; L31-L64 HydrophobicContact CD2-CD2 4.45Å; L31-L68 HydrophobicContact CB-CD2 3.81Å; L31-L68 HydrophobicContact CB-CG 4.39Å
32	L	93	Very high	88.5	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.3	-45	173.7	-72.8	170.5	0	0	0	111.9	F28 Q29 K30 L35 F36 L68 M97 N101 I105 V332	F28-L32 HydrophobicContact CD1-CD1 3.96Å; F28-L32 HydrophobicContact CE1-CD1 3.5Å; F28-L32 VanDerWaalsContact CE1-CD1 3.5Å; F28-L32 HydrophobicContact CE1-CG 4.25Å; F28-L32 HydrophobicContact CZ-CD1 4.03Å; F28-L32 HydrophobicContact CZ-CG 4.39Å; F28-L32 PolarHBondContact O-N 2.91Å; Q29-L32 PolarHBondContact O-N 3.24Å; K30-L32 VanDerWaalsContact C-N 3.33Å; K30-L32 PolarHBondContact O-N 2.9Å; L32-L35 WeakPolarHBondContact O-CB 3.21Å; L32-L35 PolarHBondContact O-N 3.14Å; L32-F36 HydrophobicContact CB-CE2 4.48Å; L32-F36 WeakPolarHBondContact O-CD2 3.32Å; L32-F36 PolarHBondContact O-N 3.14Å; L32-L68 HydrophobicContact CD2-CD1 4.04Å; L32-L68 HydrophobicContact CD2-CD2 3.99Å; L32-L68 HydrophobicContact CG-CD2 4.09Å; L32-M97 HydrophobicContact CD1-SD 4.29Å; L32-N101 HydrophobicContact CD1-CB 4.09Å; L32-N101 HydrophobicContact CD2-CB 4Å; L32-I105 HydrophobicContact CD2-CD1 4.45Å; L32-V332 HydrophobicContact CB-CG2 4.21Å
33	Y	92.4	Very high	88.8	Confident	12 Å²	12	39.1 Å²	39.1	5%	0.047	21%	0.208	C	C	.	.	H	α-helix	trans	-61.4	-49.2	176.4	177.6	-108	0	0	0	112.3	Q29 K30 L35 F36 C37 V332 F333 K334 Y413 P414 W423 F480	Q29-Y33 PolarHBondContact O-N 2.79Å; K30-Y33 PolarHBondContact O-N 3.17Å; Y33-L35 VanDerWaalsContact C-N 3.31Å; Y33-L35 PolarHBondContact O-N 3.28Å; Y33-F36 PolarHBondContact O-N 3.48Å; Y33-C37 VanDerWaalsContact CE2-SG 3.59Å; Y33-C37 VanDerWaalsContact CZ-SG 3.51Å; Y33-C37 WeakPolarHBondContact O-CB 3.41Å; Y33-C37 PolarHBondContact O-N 3.5Å; Y33-C37 PolarHBondContact O-SG 3.09Å; Y33-V332 HydrophobicContact CD2-CG1 3.92Å; Y33-F333 VanDerWaalsContact CD2-O 3.26Å; Y33-F333 WeakPolarHBondContact CD2-O 3.5Å; Y33-F333 WeakPolarHBondContact CE2-O 3.5Å; Y33-K334 PolarHBondContact OH-O 3.36Å; Y33-K334 VanDerWaalsContact OH-O 3.09Å; Y33-Y413 WeakPolarHBondContact OH-CD1 3.43Å; Y33-P414 HydrophobicContact CE2-CG 3.96Å; Y33-W423 HydrophobicContact CD2-CH2 4.45Å; Y33-W423 HydrophobicContact CG-CH2 4.18Å; Y33-W423 HydrophobicContact CG-CZ3 4.42Å; Y33-F480 HydrophobicContact CD2-CE2 4.36Å; Y33-F480 HydrophobicContact CE2-CE2 4.5Å
34	D	91.7	Very high	88.8	Confident	40 Å²	40	40.8 Å²	40.8	21%	0.214	21%	0.21	C	C	.	.	H	α-helix	trans	-63.1	-37.6	178.3	-71.9	-29.9	0	0	0	111.2	K30 M38 R44	K30-D34 WeakPolarHBondContact O-CB 3.41Å; K30-D34 PolarHBondContact O-N 3.2Å; D34-M38 WeakPolarHBondContact O-CB 3.46Å; D34-M38 PolarHBondContact O-N 3.36Å; D34-R44 IonicContact OD1-CZ 3.02Å; D34-R44 IonicContact OD1-NH1 2.61Å; D34-R44 PolarHBondContact OD1-NH1 3.17Å
35	L	93.5	Very high	88.2	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-57.1	-54.4	172.5	171.3	69.7	0	0	0	111.1	L31 L32 Y33 M38 W39 V61 L64 I65 L68 I105	L31-L35 VanDerWaalsContact O-CB 3.31Å; L31-L35 WeakPolarHBondContact O-CB 3.49Å; L31-L35 PolarHBondContact O-N 3.34Å; L32-L35 WeakPolarHBondContact O-CB 3.21Å; L32-L35 PolarHBondContact O-N 3.14Å; Y33-L35 VanDerWaalsContact C-N 3.31Å; Y33-L35 PolarHBondContact O-N 3.28Å; L35-M38 PolarHBondContact O-N 3.43Å; L35-W39 HydrophobicContact CD1-CE3 4.16Å; L35-W39 HydrophobicContact CG-CE3 4.42Å; L35-W39 WeakPolarHBondContact O-CB 3.29Å; L35-W39 PolarHBondContact O-N 2.92Å; L35-V61 HydrophobicContact CD1-CG1 3.91Å; L35-L64 HydrophobicContact CD1-CB 3.9Å; L35-I65 HydrophobicContact CD1-CG1 3.81Å; L35-I65 HydrophobicContact CD2-CG1 4.23Å; L35-L68 HydrophobicContact CB-CD1 4.04Å; L35-L68 HydrophobicContact CD2-CD1 3.54Å; L35-L68 HydrophobicContact CG-CD1 4.3Å; L35-I105 HydrophobicContact CD2-CD1 3.72Å; L35-I105 HydrophobicContact CD2-CG1 3.89Å
36	F	92.9	Very high	87.7	Confident	1 Å²	1	48.4 Å²	48.4	0%	0.004	23%	0.231	C	C	.	.	H	α-helix	trans	-70.1	-37.2	-175.4	-66.3	-51.2	0	0	0	112.6	L32 Y33 M38 W39 H40 N101 C104 I105 V332 F480	L32-F36 HydrophobicContact CB-CE2 4.48Å; L32-F36 WeakPolarHBondContact O-CD2 3.32Å; L32-F36 PolarHBondContact O-N 3.14Å; Y33-F36 PolarHBondContact O-N 3.48Å; F36-M38 VanDerWaalsContact C-N 3.35Å; F36-W39 PolarHBondContact O-N 3.42Å; F36-H40 PolarHBondContact O-CD2 3.08Å; F36-H40 PolarHBondContact O-N 2.66Å; F36-H40 VanDerWaalsContact O-N 3.08Å; F36-N101 WeakPolarHBondContact CE2-OD1 3.14Å; F36-C104 HydrophobicContact CE1-CB 3.99Å; F36-C104 HydrophobicContact CZ-CB 3.68Å; F36-I105 HydrophobicContact CE1-CG1 4.03Å; F36-I105 HydrophobicContact CZ-CG1 4.1Å; F36-V332 HydrophobicContact CD2-CB 4.09Å; F36-V332 HydrophobicContact CD2-CG1 4.2Å; F36-V332 HydrophobicContact CD2-CG2 4.28Å; F36-V332 HydrophobicContact CE2-CB 4.27Å; F36-V332 HydrophobicContact CE2-CG2 4.09Å; F36-F480 HydrophobicContact CB-CB 4.42Å; F36-F480 HydrophobicContact CB-CD1 3.67Å; F36-F480 HydrophobicContact CB-CD2 3.62Å; F36-F480 HydrophobicContact CB-CE1 3.64Å; F36-F480 HydrophobicContact CB-CE2 3.61Å; F36-F480 HydrophobicContact CB-CG 3.65Å; F36-F480 HydrophobicContact CB-CZ 3.62Å; F36-F480 HydrophobicContact CD2-CB 4.34Å; F36-F480 HydrophobicContact CD2-CD2 4.07Å; F36-F480 HydrophobicContact CD2-CG 4.27Å; F36-F480 HydrophobicContact CG-CB 4.26Å; F36-F480 HydrophobicContact CG-CD1 4.35Å; F36-F480 HydrophobicContact CG-CD2 4.11Å; F36-F480 HydrophobicContact CG-CG 4Å
37	C	91.4	Very high	87.2	Confident	7 Å²	7	47.2 Å²	47.2	5%	0.047	22%	0.224	C	C	.	.	H	α-helix	trans	-59.6	-46	171.7	-79	0	0	0	0	111.4	Y33 H40 G41 V42	Y33-C37 VanDerWaalsContact CE2-SG 3.59Å; Y33-C37 VanDerWaalsContact CZ-SG 3.51Å; Y33-C37 WeakPolarHBondContact O-CB 3.41Å; Y33-C37 PolarHBondContact O-N 3.5Å; Y33-C37 PolarHBondContact O-SG 3.09Å; C37-H40 PolarHBondContact O-N 2.86Å; C37-G41 PolarHBondContact O-N 3.25Å; C37-V42 HydrophobicContact CB-CB 4.1Å; C37-V42 PolarHBondContact O-N 3.16Å
38	M	89.9	Confident	86.5	Confident	58 Å²	58	49.1 Å²	49.1	29%	0.286	24%	0.238	S	C	.	.	H	α-helix	trans	-65.2	-42.1	178.2	-172.5	178.6	-64.6	0	0	111.9	D34 L35 F36 H40 G41 R57 K60 V61 L64	D34-M38 WeakPolarHBondContact O-CB 3.46Å; D34-M38 PolarHBondContact O-N 3.36Å; L35-M38 PolarHBondContact O-N 3.43Å; F36-M38 VanDerWaalsContact C-N 3.35Å; M38-H40 VanDerWaalsContact C-N 3.3Å; M38-H40 PolarHBondContact O-N 3.44Å; M38-G41 PolarHBondContact O-N 2.93Å; M38-R57 HydrophobicContact CG-CG 4.12Å; M38-R57 VanDerWaalsContact O-CD 3.27Å; M38-R57 WeakPolarHBondContact O-CD 3.27Å; M38-R57 WeakPolarHBondContact O-CG 3.46Å; M38-K60 HydrophobicContact CE-CB 4.36Å; M38-K60 HydrophobicContact SD-CB 3.4Å; M38-K60 WeakPolarHBondContact SD-CB 3.47Å; M38-K60 HydrophobicContact SD-CD 4.47Å; M38-V61 HydrophobicContact CB-CG2 4.31Å; M38-V61 HydrophobicContact CG-CG2 3.89Å; M38-V61 HydrophobicContact SD-CG2 4.18Å; M38-L64 HydrophobicContact CE-CD1 3.76Å; M38-L64 HydrophobicContact SD-CD1 3.78Å
39	W	89.5	Confident	85.7	Confident	34 Å²	34	54 Å²	54	13%	0.129	27%	0.27	C	S	.	.	H	α-helix	trans	-58.1	-43.4	177.3	-158	-46.3	0	0	0	111.8	L35 F36 V61 I65 I105 R108 L109	L35-W39 HydrophobicContact CD1-CE3 4.16Å; L35-W39 HydrophobicContact CG-CE3 4.42Å; L35-W39 WeakPolarHBondContact O-CB 3.29Å; L35-W39 PolarHBondContact O-N 2.92Å; F36-W39 PolarHBondContact O-N 3.42Å; W39-V61 HydrophobicContact CB-CG2 4.3Å; W39-V61 HydrophobicContact CD2-CG1 3.78Å; W39-V61 HydrophobicContact CE3-CG1 3.43Å; W39-V61 VanDerWaalsContact CE3-CG1 3.43Å; W39-V61 HydrophobicContact CG-CG1 4.37Å; W39-V61 HydrophobicContact CH2-CG1 4.32Å; W39-V61 HydrophobicContact CZ3-CG1 3.75Å; W39-I65 HydrophobicContact CH2-CD1 3.92Å; W39-I65 HydrophobicContact CZ3-CD1 3.55Å; W39-I65 HydrophobicContact CZ3-CG1 4.28Å; W39-I105 HydrophobicContact CZ3-CG2 4.35Å; W39-R108 HydrophobicContact CH2-CB 3.88Å; W39-R108 HydrophobicContact CZ2-CB 3.58Å; W39-L109 HydrophobicContact CH2-CD2 3.64Å; W39-L109 HydrophobicContact CH2-CG 3.83Å; W39-L109 HydrophobicContact CZ2-CD2 4.23Å
40	H	87.5	Confident	84.9	Confident	59 Å²	59	57.7 Å²	57.7	27%	0.273	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	3.8	-178.1	-74.4	-82.4	0	0	0	114.4	F36 C37 M38 V42 R108 F480 G484 F486	F36-H40 PolarHBondContact O-CD2 3.08Å; F36-H40 PolarHBondContact O-N 2.66Å; F36-H40 VanDerWaalsContact O-N 3.08Å; C37-H40 PolarHBondContact O-N 2.86Å; M38-H40 VanDerWaalsContact C-N 3.3Å; M38-H40 PolarHBondContact O-N 3.44Å; H40-V42 VanDerWaalsContact C-N 3.27Å; H40-V42 HydrophobicContact CB-CG2 3.91Å; H40-V42 PolarHBondContact O-N 2.93Å; H40-R108 PolarHBondContact NE2-NE 3.01Å; H40-F480 HydrophobicContact CB-CE1 4.42Å; H40-F480 AromaticContact CD2-CD1 3.64Å; H40-F480 AromaticContact CD2-CE1 3.62Å; H40-F480 AromaticContact NE2-CD1 3.97Å; H40-G484 PolarHBondContact CE1-O 2.96Å; H40-F486 HydrophobicContact CB-CZ 3.92Å; H40-F486 AromaticContact CG-CZ 3.73Å; H40-F486 AromaticContact ND1-CZ 3.7Å
41	G	85.4	Confident	84	Confident	28 Å²	28	57.2 Å²	57.2	29%	0.289	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	32.5	-177.8	0	0	0	0	0	114	C37 M38 Q43	C37-G41 PolarHBondContact O-N 3.25Å; M38-G41 PolarHBondContact O-N 2.93Å; G41-Q43 PolarHBondContact O-N 3.22Å
42	V	86.3	Confident	83.4	Confident	17 Å²	17	57.3 Å²	57.3	10%	0.103	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-73.8	121.1	179.8	-179.4	0	0	0	0	109.7	C37 H40 K334	C37-V42 HydrophobicContact CB-CB 4.1Å; C37-V42 PolarHBondContact O-N 3.16Å; H40-V42 VanDerWaalsContact C-N 3.27Å; H40-V42 HydrophobicContact CB-CG2 3.91Å; H40-V42 PolarHBondContact O-N 2.93Å; V42-K334 HydrophobicContact CG1-CG 4.16Å; V42-K334 HydrophobicContact CG2-CD 4.11Å; V42-K334 HydrophobicContact CG2-CG 4.19Å
43	Q	82.2	Confident	83	Confident	100 Å²	100	60 Å²	60	47%	0.467	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-103	120.8	176.3	-171.3	-179.4	1.8	0	0	111	G41 D47 Y413	G41-Q43 PolarHBondContact O-N 3.22Å; Q43-D47 HydrophobicContact CG-CB 4.11Å; Q43-D47 PolarHBondContact NE2-O 3.12Å; Q43-Y413 PolarHBondContact O-OH 2.99Å
44	R	83.8	Confident	82.5	Confident	74 Å²	74	65.9 Å²	65.9	28%	0.279	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-82.7	164.1	178.6	-54	169.3	-67.1	-152.8	-0.9	111.6	D34 Y46 D47 Y413	D34-R44 IonicContact OD1-CZ 3.02Å; D34-R44 IonicContact OD1-NH1 2.61Å; D34-R44 PolarHBondContact OD1-NH1 3.17Å; R44-Y46 PolarHBondContact O-N 3.49Å; R44-D47 HydrophobicContact CB-CB 4.41Å; R44-D47 WeakPolarHBondContact CB-OD2 3.49Å; R44-D47 WeakPolarHBondContact CG-OD2 3.23Å; R44-D47 IonicContact CZ-OD1 3.04Å; R44-D47 IonicContact CZ-OD2 3.43Å; R44-D47 PolarHBondContact N-OD2 3.36Å; R44-D47 VanDerWaalsContact NE-CG 3.29Å; R44-D47 IonicContact NE-OD1 3.12Å; R44-D47 PolarHBondContact NE-OD1 3Å; R44-D47 IonicContact NE-OD2 3.37Å; R44-D47 PolarHBondContact NE-OD2 2.94Å; R44-D47 IonicContact NH2-OD1 2.73Å; R44-D47 PolarHBondContact NH2-OD1 3.41Å; R44-D47 IonicContact NH2-OD2 3.58Å; R44-D47 PolarHBondContact NH2-OD2 3.45Å; R44-D47 PolarHBondContact O-N 2.92Å; R44-Y413 HydrophobicContact CB-CD1 4.46Å; R44-Y413 HydrophobicContact CB-CD2 4.01Å; R44-Y413 HydrophobicContact CB-CE1 4.22Å; R44-Y413 HydrophobicContact CB-CE2 3.74Å; R44-Y413 HydrophobicContact CB-CG 4.37Å; R44-Y413 HydrophobicContact CG-CD1 3.9Å; R44-Y413 HydrophobicContact CG-CD2 4.27Å; R44-Y413 HydrophobicContact CG-CE1 3.85Å; R44-Y413 HydrophobicContact CG-CE2 4.23Å; R44-Y413 HydrophobicContact CG-CG 4.11Å
45	H	71.3	Confident	82.1	Confident	88 Å²	88	71.7 Å²	71.7	41%	0.407	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-25.6	-173.9	-68.5	-39.5	0	0	0	114.7	I411 Y413	H45-I411 PolarHBondContact NE2-O 3.35Å; H45-Y413 HydrophobicContact CB-CE2 4.23Å; H45-Y413 AromaticContact CD2-CE2 3.45Å; H45-Y413 VanDerWaalsContact CD2-CE2 3.45Å; H45-Y413 WeakPolarHBondContact CD2-CE2 3.34Å; H45-Y413 AromaticContact CG-CE2 3.73Å; H45-Y413 AromaticContact NE2-CE2 3.74Å
46	Y	70.9	Confident	81.7	Confident	194 Å²	194	76.8 Å²	76.8	76%	0.761	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119	7	-178.9	-56.2	-72.2	0	0	0	112.9	R44	R44-Y46 PolarHBondContact O-N 3.49Å
47	D	75.7	Confident	81.4	Confident	44 Å²	44	79.5 Å²	79.5	24%	0.235	41%	0.406	C	S	.	.	S	Bend	trans	-74.4	138.4	175.5	-72.5	-20.3	0	0	0	109.5	Q43 R44	Q43-D47 HydrophobicContact CG-CB 4.11Å; Q43-D47 PolarHBondContact NE2-O 3.12Å; R44-D47 HydrophobicContact CB-CB 4.41Å; R44-D47 WeakPolarHBondContact CB-OD2 3.49Å; R44-D47 WeakPolarHBondContact CG-OD2 3.23Å; R44-D47 IonicContact CZ-OD1 3.04Å; R44-D47 IonicContact CZ-OD2 3.43Å; R44-D47 PolarHBondContact N-OD2 3.36Å; R44-D47 VanDerWaalsContact NE-CG 3.29Å; R44-D47 IonicContact NE-OD1 3.12Å; R44-D47 PolarHBondContact NE-OD1 3Å; R44-D47 IonicContact NE-OD2 3.37Å; R44-D47 PolarHBondContact NE-OD2 2.94Å; R44-D47 IonicContact NH2-OD1 2.73Å; R44-D47 PolarHBondContact NH2-OD1 3.41Å; R44-D47 IonicContact NH2-OD2 3.58Å; R44-D47 PolarHBondContact NH2-OD2 3.45Å; R44-D47 PolarHBondContact O-N 2.92Å
48	P	73.6	Confident	81.2	Confident	100 Å²	100	81.2 Å²	81.2	65%	0.649	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-58.5	152.8	169.9	26.7	-33.1	0	0	0	110	I50	P48-I50 PolarHBondContact O-N 3.08Å
49	P	75	Confident	80.9	Confident	105 Å²	105	82.4 Å²	82.4	68%	0.682	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-51.3	132.3	171.4	-20.4	30.5	0	0	0	109.5	P51	P49-P51 WeakPolarHBondContact O-CD 3.33Å
50	I	73.8	Confident	80.9	Confident	79 Å²	79	84.7 Å²	84.7	41%	0.405	43%	0.429	S	S	.	.			trans	-74.6	108.1	179	-56.9	171.7	0	0	0	107.1	P48 D52	P48-I50 PolarHBondContact O-N 3.08Å; I50-D52 VanDerWaalsContact C-N 3.33Å; I50-D52 HydrophobicContact CG2-CB 4.15Å
51	P	72.3	Confident	81	Confident	117 Å²	117	82 Å²	82	76%	0.76	42%	0.417	S	S	*	.			trans	-89.9	-5.4	-178.1	36.3	-28.1	0	0	0	112.1	P49	P49-P51 WeakPolarHBondContact O-CD 3.33Å
52	D	80	Confident	81.1	Confident	47 Å²	47	82.4 Å²	82.4	25%	0.251	41%	0.411	S	S	.	.			trans	-70.1	139.6	-172.8	-59.5	-39.5	0	0	0	111.3	I50 Q56 K60	I50-D52 VanDerWaalsContact C-N 3.33Å; I50-D52 HydrophobicContact CG2-CB 4.15Å; D52-Q56 HydrophobicContact CB-CB 4.06Å; D52-K60 IonicContact OD1-NZ 2.66Å; D52-K60 PolarHBondContact OD1-NZ 3.35Å; D52-K60 IonicContact OD2-NZ 2.77Å; D52-K60 PolarHBondContact OD2-NZ 3.19Å
53	S	84.4	Confident	81.3	Confident	55 Å²	55	85.3 Å²	85.3	39%	0.385	43%	0.426	S	S	.	.			trans	-65.5	161.3	165	71.9	0	0	0	0	110.8	E55 Q56 R57	S53-E55 PolarHBondContact O-N 3.14Å; S53-Q56 PolarHBondContact O-N 3.18Å; S53-Q56 VanDerWaalsContact O-N 3.14Å; S53-Q56 WeakPolarHBondContact OG-CG 3.34Å; S53-Q56 PolarHBondContact OG-N 2.92Å; S53-R57 WeakPolarHBondContact O-CB 3.19Å; S53-R57 PolarHBondContact O-N 3.2Å
54	E	82.1	Confident	81.7	Confident	137 Å²	137	81.7 Å²	81.7	64%	0.64	41%	0.41	S	S	*	.	H	α-helix	trans	-56	-39.5	177.1	177.3	159	-139.2	0	0	112.4	R57 M58	E54-R57 PolarHBondContact O-N 2.98Å; E54-R57 IonicContact OE1-NH2 3.99Å; E54-R57 PolarHBondContact OE1-NH2 3.23Å; E54-R57 VanDerWaalsContact OE1-NH2 3.12Å; E54-M58 WeakPolarHBondContact O-CB 3.42Å; E54-M58 VanDerWaalsContact O-CG 3.29Å; E54-M58 WeakPolarHBondContact O-CG 3.28Å; E54-M58 PolarHBondContact O-N 3.44Å
55	E	82	Confident	82	Confident	162 Å²	162	78.2 Å²	78.2	76%	0.757	40%	0.397	S	S	*	.	H	α-helix	trans	-65	-44.1	176.6	-169.8	175.4	-167.5	0	0	112.2	S53 R57 M58 Q59	S53-E55 PolarHBondContact O-N 3.14Å; E55-R57 PolarHBondContact O-N 3.24Å; E55-M58 PolarHBondContact O-N 2.9Å; E55-Q59 PolarHBondContact O-N 2.93Å
56	Q	85.9	Confident	82.9	Confident	106 Å²	106	76 Å²	76	50%	0.495	39%	0.39	S	S	.	.	H	α-helix	trans	-63.8	-41.2	175.9	-72.7	172.7	-3.3	0	0	111.8	D52 S53 Q59 K60	D52-Q56 HydrophobicContact CB-CB 4.06Å; S53-Q56 PolarHBondContact O-N 3.18Å; S53-Q56 VanDerWaalsContact O-N 3.14Å; S53-Q56 WeakPolarHBondContact OG-CG 3.34Å; S53-Q56 PolarHBondContact OG-N 2.92Å; Q56-Q59 PolarHBondContact O-N 3.01Å; Q56-K60 WeakPolarHBondContact O-CG 3.47Å; Q56-K60 PolarHBondContact O-N 3.22Å; Q56-K60 VanDerWaalsContact O-N 3.07Å
57	R	87.2	Confident	83.8	Confident	58 Å²	58	73.2 Å²	73.2	22%	0.219	38%	0.382	C	S	.	.	H	α-helix	trans	-61.1	-47.2	174.5	-177	-175.8	69.8	-172.1	-3.5	110.8	M38 S53 E54 E55 Q59 K60 V61	M38-R57 HydrophobicContact CG-CG 4.12Å; M38-R57 VanDerWaalsContact O-CD 3.27Å; M38-R57 WeakPolarHBondContact O-CD 3.27Å; M38-R57 WeakPolarHBondContact O-CG 3.46Å; S53-R57 WeakPolarHBondContact O-CB 3.19Å; S53-R57 PolarHBondContact O-N 3.2Å; E54-R57 PolarHBondContact O-N 2.98Å; E54-R57 IonicContact OE1-NH2 3.99Å; E54-R57 PolarHBondContact OE1-NH2 3.23Å; E54-R57 VanDerWaalsContact OE1-NH2 3.12Å; E55-R57 PolarHBondContact O-N 3.24Å; R57-Q59 VanDerWaalsContact C-N 3.33Å; R57-Q59 PolarHBondContact O-N 3.43Å; R57-K60 PolarHBondContact O-N 3.03Å; R57-K60 VanDerWaalsContact O-N 3.16Å; R57-V61 WeakPolarHBondContact O-CG2 3.33Å; R57-V61 PolarHBondContact O-N 2.93Å
58	M	85.7	Confident	84.6	Confident	43 Å²	43	71.2 Å²	71.2	21%	0.212	37%	0.371	C	S	.	.	H	α-helix	trans	-64.2	-36	178.6	-71.5	-52.1	-62.5	0	0	112.3	E54 E55 V61 K62	E54-M58 WeakPolarHBondContact O-CB 3.42Å; E54-M58 VanDerWaalsContact O-CG 3.29Å; E54-M58 WeakPolarHBondContact O-CG 3.28Å; E54-M58 PolarHBondContact O-N 3.44Å; E55-M58 PolarHBondContact O-N 2.9Å; M58-V61 HydrophobicContact CE-CG1 4.47Å; M58-V61 WeakPolarHBondContact O-CB 3.12Å; M58-V61 PolarHBondContact O-N 2.78Å; M58-K62 WeakPolarHBondContact O-CG 3.45Å; M58-K62 PolarHBondContact O-N 3.31Å
59	Q	85.3	Confident	85.4	Confident	83 Å²	83	66.5 Å²	66.5	39%	0.388	34%	0.341	S	S	.	.	H	α-helix	trans	-64	-41	172.9	-169.8	60.8	33.9	0	0	112	E55 Q56 R57 V61 K62 N63	E55-Q59 PolarHBondContact O-N 2.93Å; Q56-Q59 PolarHBondContact O-N 3.01Å; R57-Q59 VanDerWaalsContact C-N 3.33Å; R57-Q59 PolarHBondContact O-N 3.43Å; Q59-V61 VanDerWaalsContact C-N 3.34Å; Q59-K62 PolarHBondContact O-N 3.19Å; Q59-N63 VanDerWaalsContact O-CG 3.26Å; Q59-N63 PolarHBondContact O-N 3.44Å; Q59-N63 PolarHBondContact O-ND2 2.89Å
60	K	88.9	Confident	86	Confident	83 Å²	83	65.6 Å²	65.6	36%	0.361	33%	0.334	S	S	.	.	H	α-helix	trans	-64.4	-38.8	174.6	-68	178.2	-172.4	179.7	0	111.9	M38 D52 Q56 R57 N63 L64	M38-K60 HydrophobicContact CE-CB 4.36Å; M38-K60 HydrophobicContact SD-CB 3.4Å; M38-K60 WeakPolarHBondContact SD-CB 3.47Å; M38-K60 HydrophobicContact SD-CD 4.47Å; D52-K60 IonicContact OD1-NZ 2.66Å; D52-K60 PolarHBondContact OD1-NZ 3.35Å; D52-K60 IonicContact OD2-NZ 2.77Å; D52-K60 PolarHBondContact OD2-NZ 3.19Å; Q56-K60 WeakPolarHBondContact O-CG 3.47Å; Q56-K60 PolarHBondContact O-N 3.22Å; Q56-K60 VanDerWaalsContact O-N 3.07Å; R57-K60 PolarHBondContact O-N 3.03Å; R57-K60 VanDerWaalsContact O-N 3.16Å; K60-N63 PolarHBondContact O-N 3.31Å; K60-L64 WeakPolarHBondContact O-CG 3.39Å; K60-L64 PolarHBondContact O-N 3.35Å
61	V	89.7	Confident	86.9	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.006	32%	0.321	C	S	.	.	H	α-helix	trans	-58.6	-50	172.6	167.1	0	0	0	0	110.5	L35 M38 W39 R57 M58 Q59 N63 L64 I65	L35-V61 HydrophobicContact CD1-CG1 3.91Å; M38-V61 HydrophobicContact CB-CG2 4.31Å; M38-V61 HydrophobicContact CG-CG2 3.89Å; M38-V61 HydrophobicContact SD-CG2 4.18Å; W39-V61 HydrophobicContact CB-CG2 4.3Å; W39-V61 HydrophobicContact CD2-CG1 3.78Å; W39-V61 HydrophobicContact CE3-CG1 3.43Å; W39-V61 VanDerWaalsContact CE3-CG1 3.43Å; W39-V61 HydrophobicContact CG-CG1 4.37Å; W39-V61 HydrophobicContact CH2-CG1 4.32Å; W39-V61 HydrophobicContact CZ3-CG1 3.75Å; R57-V61 WeakPolarHBondContact O-CG2 3.33Å; R57-V61 PolarHBondContact O-N 2.93Å; M58-V61 HydrophobicContact CE-CG1 4.47Å; M58-V61 WeakPolarHBondContact O-CB 3.12Å; M58-V61 PolarHBondContact O-N 2.78Å; Q59-V61 VanDerWaalsContact C-N 3.34Å; V61-N63 VanDerWaalsContact C-N 3.35Å; V61-N63 PolarHBondContact O-N 3.44Å; V61-L64 WeakPolarHBondContact O-CB 3.26Å; V61-L64 PolarHBondContact O-N 3.02Å; V61-L64 VanDerWaalsContact O-N 3.1Å; V61-I65 HydrophobicContact CG1-CD1 3.97Å; V61-I65 HydrophobicContact CG1-CG1 4.47Å; V61-I65 WeakPolarHBondContact O-CG1 3.42Å; V61-I65 PolarHBondContact O-N 3.11Å
62	K	87.7	Confident	87.8	Confident	38 Å²	38	57.9 Å²	57.9	17%	0.165	29%	0.285	C	S	.	.	H	α-helix	trans	-57.8	-45.8	177.3	-69	-178.2	-170.8	-158.3	0	112.2	M58 Q59 L64 I65 C66 D122	M58-K62 WeakPolarHBondContact O-CG 3.45Å; M58-K62 PolarHBondContact O-N 3.31Å; Q59-K62 PolarHBondContact O-N 3.19Å; K62-L64 VanDerWaalsContact C-N 3.28Å; K62-L64 PolarHBondContact O-N 2.87Å; K62-I65 PolarHBondContact O-N 3.09Å; K62-I65 VanDerWaalsContact O-N 3.13Å; K62-C66 PolarHBondContact O-N 2.57Å; K62-D122 WeakPolarHBondContact CE-OD1 3.29Å; K62-D122 VanDerWaalsContact NZ-CG 3.28Å; K62-D122 IonicContact NZ-OD1 2.96Å; K62-D122 PolarHBondContact NZ-OD1 2.89Å; K62-D122 IonicContact NZ-OD2 3.96Å; K62-D122 PolarHBondContact NZ-OD2 3.33Å
63	N	89.2	Confident	88.3	Confident	78 Å²	78	57.7 Å²	57.7	42%	0.417	28%	0.284	S	S	.	.	H	α-helix	trans	-59.1	-38	176.5	-70.2	-19.9	0	0	0	112.5	Q59 K60 V61 K67	Q59-N63 VanDerWaalsContact O-CG 3.26Å; Q59-N63 PolarHBondContact O-N 3.44Å; Q59-N63 PolarHBondContact O-ND2 2.89Å; K60-N63 PolarHBondContact O-N 3.31Å; V61-N63 VanDerWaalsContact C-N 3.35Å; V61-N63 PolarHBondContact O-N 3.44Å; N63-K67 WeakPolarHBondContact O-CG 3.15Å; N63-K67 PolarHBondContact O-N 3.35Å
64	L	90.7	Very high	88.5	Confident	24 Å²	24	56.1 Å²	56.1	13%	0.126	28%	0.277	C	S	.	.	H	α-helix	trans	-69.8	-40.1	175.1	-76.1	171.6	0	0	0	112.3	L31 L35 M38 K60 V61 K62 C66 K67 L68	L31-L64 HydrophobicContact CD2-CD2 4.45Å; L35-L64 HydrophobicContact CD1-CB 3.9Å; M38-L64 HydrophobicContact CE-CD1 3.76Å; M38-L64 HydrophobicContact SD-CD1 3.78Å; K60-L64 WeakPolarHBondContact O-CG 3.39Å; K60-L64 PolarHBondContact O-N 3.35Å; V61-L64 WeakPolarHBondContact O-CB 3.26Å; V61-L64 PolarHBondContact O-N 3.02Å; V61-L64 VanDerWaalsContact O-N 3.1Å; K62-L64 VanDerWaalsContact C-N 3.28Å; K62-L64 PolarHBondContact O-N 2.87Å; L64-C66 VanDerWaalsContact C-N 3.34Å; L64-C66 PolarHBondContact O-N 3.09Å; L64-K67 PolarHBondContact O-N 3.39Å; L64-L68 WeakPolarHBondContact O-CB 3.28Å; L64-L68 PolarHBondContact O-N 3.39Å
65	I	91.7	Very high	88.9	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-60.2	-45.1	175.4	-62.9	166.7	0	0	0	110.4	L35 W39 V61 K62 K67 L68 L69 I105 L109 I125	L35-I65 HydrophobicContact CD1-CG1 3.81Å; L35-I65 HydrophobicContact CD2-CG1 4.23Å; W39-I65 HydrophobicContact CH2-CD1 3.92Å; W39-I65 HydrophobicContact CZ3-CD1 3.55Å; W39-I65 HydrophobicContact CZ3-CG1 4.28Å; V61-I65 HydrophobicContact CG1-CD1 3.97Å; V61-I65 HydrophobicContact CG1-CG1 4.47Å; V61-I65 WeakPolarHBondContact O-CG1 3.42Å; V61-I65 PolarHBondContact O-N 3.11Å; K62-I65 PolarHBondContact O-N 3.09Å; K62-I65 VanDerWaalsContact O-N 3.13Å; I65-K67 VanDerWaalsContact C-N 3.32Å; I65-K67 PolarHBondContact O-N 2.92Å; I65-L68 PolarHBondContact O-N 3.35Å; I65-L69 HydrophobicContact CG2-CD1 4.21Å; I65-L69 HydrophobicContact CG2-CG 4.31Å; I65-L69 WeakPolarHBondContact O-CB 3.38Å; I65-L69 WeakPolarHBondContact O-CG 3.16Å; I65-L69 PolarHBondContact O-N 2.86Å; I65-I105 HydrophobicContact CD1-CG2 4.21Å; I65-I105 HydrophobicContact CG1-CG2 4.26Å; I65-I105 HydrophobicContact CG2-CG2 4.2Å; I65-L109 HydrophobicContact CD1-CD1 4.44Å; I65-L109 HydrophobicContact CD1-CD2 4.12Å; I65-I125 HydrophobicContact CG2-CG2 3.55Å
66	C	89.1	Confident	89.2	Confident	41 Å²	41	41.9 Å²	41.9	28%	0.277	21%	0.211	S	C	.	.	H	α-helix	trans	-61.3	-38.9	178.1	-71.7	0	0	0	0	112.9	K62 L64 T70	K62-C66 PolarHBondContact O-N 2.57Å; L64-C66 VanDerWaalsContact C-N 3.34Å; L64-C66 PolarHBondContact O-N 3.09Å; C66-T70 PolarHBondContact O-N 2.75Å; C66-T70 PolarHBondContact O-OG1 2.89Å
67	K	90.1	Very high	89.2	Confident	136 Å²	136	40.1 Å²	40.1	59%	0.591	21%	0.205	S	C	*	.	H	α-helix	trans	-64.1	-48.3	173	-71.3	175.8	-177.9	-178	0	111.3	N63 L64 I65 L69 T70 E71	N63-K67 WeakPolarHBondContact O-CG 3.15Å; N63-K67 PolarHBondContact O-N 3.35Å; L64-K67 PolarHBondContact O-N 3.39Å; I65-K67 VanDerWaalsContact C-N 3.32Å; I65-K67 PolarHBondContact O-N 2.92Å; K67-L69 VanDerWaalsContact C-N 3.33Å; K67-L69 PolarHBondContact O-N 2.95Å; K67-T70 PolarHBondContact O-N 3.08Å; K67-E71 PolarHBondContact O-N 3.4Å
68	L	92.4	Very high	89.1	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-62.3	-38.2	178.8	-80.4	164.4	0	0	0	112.4	F28 L31 L32 L35 L64 I65 T70 E71 I72	F28-L68 HydrophobicContact CD2-CD2 4.02Å; F28-L68 HydrophobicContact CE2-CD2 3.68Å; F28-L68 HydrophobicContact CZ-CD2 4.36Å; L31-L68 HydrophobicContact CB-CD2 3.81Å; L31-L68 HydrophobicContact CB-CG 4.39Å; L32-L68 HydrophobicContact CD2-CD1 4.04Å; L32-L68 HydrophobicContact CD2-CD2 3.99Å; L32-L68 HydrophobicContact CG-CD2 4.09Å; L35-L68 HydrophobicContact CB-CD1 4.04Å; L35-L68 HydrophobicContact CD2-CD1 3.54Å; L35-L68 HydrophobicContact CG-CD1 4.3Å; L64-L68 WeakPolarHBondContact O-CB 3.28Å; L64-L68 PolarHBondContact O-N 3.39Å; I65-L68 PolarHBondContact O-N 3.35Å; L68-T70 VanDerWaalsContact C-N 3.29Å; L68-T70 PolarHBondContact O-N 2.95Å; L68-E71 CarbonylContact O-C 3.53Å; L68-E71 PolarHBondContact O-N 2.88Å; L68-E71 VanDerWaalsContact O-N 3.14Å; L68-I72 HydrophobicContact CB-CD1 4.37Å; L68-I72 WeakPolarHBondContact O-CB 3.41Å; L68-I72 WeakPolarHBondContact O-CD1 3.47Å; L68-I72 WeakPolarHBondContact O-CG1 3.26Å; L68-I72 PolarHBondContact O-N 3.42Å
69	L	90.3	Very high	89.1	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-57.1	-42.3	176.5	-86.8	175.2	0	0	0	112.3	I65 K67 E71 I72 D73 I125 R128 L129	I65-L69 HydrophobicContact CG2-CD1 4.21Å; I65-L69 HydrophobicContact CG2-CG 4.31Å; I65-L69 WeakPolarHBondContact O-CB 3.38Å; I65-L69 WeakPolarHBondContact O-CG 3.16Å; I65-L69 PolarHBondContact O-N 2.86Å; K67-L69 VanDerWaalsContact C-N 3.33Å; K67-L69 PolarHBondContact O-N 2.95Å; L69-E71 VanDerWaalsContact C-N 3.32Å; L69-E71 PolarHBondContact O-N 2.77Å; L69-I72 PolarHBondContact O-N 3.29Å; L69-D73 WeakPolarHBondContact O-CB 3.48Å; L69-D73 PolarHBondContact O-N 3.07Å; L69-I125 HydrophobicContact CD1-CG2 4.11Å; L69-R128 HydrophobicContact CD1-CB 4.2Å; L69-R128 HydrophobicContact CD2-CB 4.21Å; L69-L129 HydrophobicContact CD2-CD2 3.46Å; L69-L129 VanDerWaalsContact CD2-CD2 3.46Å; L69-L129 HydrophobicContact CD2-CG 3.82Å; L69-L129 HydrophobicContact CG-CD2 4.23Å
70	T	88.6	Confident	88.9	Confident	87 Å²	87	39.7 Å²	39.7	53%	0.534	20%	0.2	S	C	.	.	H	α-helix	trans	-63.7	-40.1	177.9	-52	0	0	0	0	111.4	C66 K67 L68 G74	C66-T70 PolarHBondContact O-N 2.75Å; C66-T70 PolarHBondContact O-OG1 2.89Å; K67-T70 PolarHBondContact O-N 3.08Å; L68-T70 VanDerWaalsContact C-N 3.29Å; L68-T70 PolarHBondContact O-N 2.95Å; T70-G74 PolarHBondContact O-N 3.11Å
71	E	91.8	Very high	88.4	Confident	30 Å²	30	42.8 Å²	42.8	14%	0.14	22%	0.216	C	C	.	.	H	α-helix	trans	-71.5	-38	175.5	-67.1	-59.3	142	0	0	112.6	V23 F28 K67 L68 L69 G74 R75	V23-E71 HydrophobicContact CG2-CG 4.06Å; V23-E71 WeakPolarHBondContact CG2-OE2 3.38Å; V23-E71 PolarHBondContact N-OE2 3.44Å; V23-E71 VanDerWaalsContact N-OE2 3.13Å; F28-E71 HydrophobicContact CD2-CB 3.92Å; F28-E71 HydrophobicContact CE2-CB 3.88Å; K67-E71 PolarHBondContact O-N 3.4Å; L68-E71 CarbonylContact O-C 3.53Å; L68-E71 PolarHBondContact O-N 2.88Å; L68-E71 VanDerWaalsContact O-N 3.14Å; L69-E71 VanDerWaalsContact C-N 3.32Å; L69-E71 PolarHBondContact O-N 2.77Å; E71-G74 PolarHBondContact O-N 2.98Å; E71-R75 VanDerWaalsContact O-CG 3.28Å; E71-R75 WeakPolarHBondContact O-CG 3.39Å; E71-R75 PolarHBondContact O-N 3.14Å
72	I	91.7	Very high	87.6	Confident	3 Å²	3	45.1 Å²	45.1	2%	0.015	23%	0.229	C	C	.	.	H	α-helix	trans	-60.2	-49.8	175.2	-71.8	160	0	0	0	109.3	F28 L68 L69 G74 R75 V76 V102 A132	F28-I72 HydrophobicContact CE2-CG1 4.24Å; F28-I72 HydrophobicContact CZ-CG1 4.05Å; L68-I72 HydrophobicContact CB-CD1 4.37Å; L68-I72 WeakPolarHBondContact O-CB 3.41Å; L68-I72 WeakPolarHBondContact O-CD1 3.47Å; L68-I72 WeakPolarHBondContact O-CG1 3.26Å; L68-I72 PolarHBondContact O-N 3.42Å; L69-I72 PolarHBondContact O-N 3.29Å; I72-G74 VanDerWaalsContact C-N 3.29Å; I72-G74 PolarHBondContact O-N 3.34Å; I72-R75 PolarHBondContact O-N 2.91Å; I72-V76 HydrophobicContact CG2-CG2 4.18Å; I72-V76 VanDerWaalsContact O-CG2 3.31Å; I72-V76 WeakPolarHBondContact O-CG2 3.25Å; I72-V76 PolarHBondContact O-N 3.13Å; I72-V102 HydrophobicContact CD1-CG2 3.98Å; I72-V102 HydrophobicContact CG1-CG2 4.49Å; I72-V102 HydrophobicContact CG2-CG2 4.06Å; I72-A132 HydrophobicContact CG2-CB 4.03Å
73	D	89.2	Confident	86.3	Confident	43 Å²	43	46.5 Å²	46.5	23%	0.23	24%	0.238	C	C	.	.	H	α-helix	trans	-58.6	-41.8	178.3	-67.2	-17.8	0	0	0	111.3	L69 R75 N77 R128	L69-D73 WeakPolarHBondContact O-CB 3.48Å; L69-D73 PolarHBondContact O-N 3.07Å; D73-R75 PolarHBondContact O-N 3.41Å; D73-N77 WeakPolarHBondContact O-CB 3.34Å; D73-N77 PolarHBondContact O-N 3.44Å; D73-N77 PolarHBondContact O-ND2 3.35Å; D73-R128 IonicContact OD2-CZ 2.86Å; D73-R128 IonicContact OD2-NE 3.59Å; D73-R128 IonicContact OD2-NH2 3.61Å; D73-R128 PolarHBondContact OD2-NH2 3.17Å
74	G	89.4	Confident	84.7	Confident	23 Å²	23	49.5 Å²	49.5	24%	0.237	25%	0.254	C	S	.	.	H	α-helix	trans	-60.4	-42.5	173.4	0	0	0	0	0	113	T70 E71 I72 N77 R78	T70-G74 PolarHBondContact O-N 3.11Å; E71-G74 PolarHBondContact O-N 2.98Å; I72-G74 VanDerWaalsContact C-N 3.29Å; I72-G74 PolarHBondContact O-N 3.34Å; G74-N77 PolarHBondContact O-N 3.09Å; G74-R78 PolarHBondContact O-N 3.3Å
75	R	90.2	Very high	82.7	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-71.3	-37.9	179.9	-69.9	173.5	176.6	-96.7	-5.9	112.8	M22 V23 N25 E71 I72 D73 R78 I79 E94 L98	M22-R75 VanDerWaalsContact CE-CA 3.46Å; M22-R75 HydrophobicContact CE-CB 3.88Å; M22-R75 HydrophobicContact CE-CG 3.13Å; M22-R75 VanDerWaalsContact CE-N 3.26Å; V23-R75 PolarHBondContact O-NH2 3.29Å; N25-R75 VanDerWaalsContact OD1-CZ 3.28Å; N25-R75 PolarHBondContact OD1-NH1 2.9Å; N25-R75 PolarHBondContact OD1-NH2 3.12Å; E71-R75 VanDerWaalsContact O-CG 3.28Å; E71-R75 WeakPolarHBondContact O-CG 3.39Å; E71-R75 PolarHBondContact O-N 3.14Å; I72-R75 PolarHBondContact O-N 2.91Å; D73-R75 PolarHBondContact O-N 3.41Å; R75-R78 WeakPolarHBondContact O-CB 3.36Å; R75-R78 PolarHBondContact O-N 2.74Å; R75-I79 WeakPolarHBondContact O-CG1 3.46Å; R75-I79 PolarHBondContact O-N 3.34Å; R75-E94 IonicContact CZ-OE1 2.59Å; R75-E94 IonicContact NH1-OE1 3.63Å; R75-E94 PolarHBondContact NH1-OE1 3.03Å; R75-E94 IonicContact NH1-OE2 3.61Å; R75-L98 HydrophobicContact CB-CD1 3.76Å; R75-L98 HydrophobicContact CB-CD2 4.07Å
76	V	88.8	Confident	80.8	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-62.3	-45.4	172	174.3	0	0	0	0	110.2	I72 R78 I79 K80 E135 L136	I72-V76 HydrophobicContact CG2-CG2 4.18Å; I72-V76 VanDerWaalsContact O-CG2 3.31Å; I72-V76 WeakPolarHBondContact O-CG2 3.25Å; I72-V76 PolarHBondContact O-N 3.13Å; V76-R78 VanDerWaalsContact C-N 3.3Å; V76-R78 PolarHBondContact O-N 3.33Å; V76-I79 WeakPolarHBondContact O-CB 3.22Å; V76-I79 PolarHBondContact O-N 3.19Å; V76-I79 VanDerWaalsContact O-N 3.15Å; V76-K80 PolarHBondContact O-N 3.25Å; V76-E135 HydrophobicContact CG1-CB 3.7Å; V76-E135 WeakPolarHBondContact CG1-OE2 3.4Å; V76-L136 HydrophobicContact CG2-CD1 4.25Å; V76-L136 HydrophobicContact CG2-CD2 3.94Å; V76-L136 HydrophobicContact CG2-CG 3.88Å
77	N	86	Confident	79.1	Confident	68 Å²	68	68.6 Å²	68.6	36%	0.364	33%	0.328	S	S	.	.	H	α-helix	trans	-61.4	-37	175.3	-78.7	-52	0	0	0	112.8	D73 G74 K80 Q81	D73-N77 WeakPolarHBondContact O-CB 3.34Å; D73-N77 PolarHBondContact O-N 3.44Å; D73-N77 PolarHBondContact O-ND2 3.35Å; G74-N77 PolarHBondContact O-N 3.09Å; N77-K80 WeakPolarHBondContact O-CB 3.29Å; N77-K80 PolarHBondContact O-N 2.98Å; N77-Q81 WeakPolarHBondContact O-CG 3.32Å; N77-Q81 PolarHBondContact O-N 3.08Å
78	R	85.6	Confident	78.1	Confident	65 Å²	65	63.7 Å²	63.7	25%	0.245	32%	0.316	C	S	.	.	H	α-helix	trans	-64.2	-42.4	173.6	-175.4	-177.8	64.6	-174.5	-1.3	112	M22 G74 R75 V76 K80 Q81 N82 E94	M22-R78 HydrophobicContact SD-CB 4.45Å; G74-R78 PolarHBondContact O-N 3.3Å; R75-R78 WeakPolarHBondContact O-CB 3.36Å; R75-R78 PolarHBondContact O-N 2.74Å; V76-R78 VanDerWaalsContact C-N 3.3Å; V76-R78 PolarHBondContact O-N 3.33Å; R78-K80 VanDerWaalsContact C-N 3.32Å; R78-K80 PolarHBondContact O-N 3.31Å; R78-Q81 PolarHBondContact O-N 3.02Å; R78-N82 VanDerWaalsContact O-CB 3.32Å; R78-N82 WeakPolarHBondContact O-CB 3.38Å; R78-N82 PolarHBondContact O-N 3.13Å; R78-E94 IonicContact NH2-OE1 3.34Å; R78-E94 PolarHBondContact NH2-OE1 3.09Å; R78-E94 IonicContact NH2-OE2 3.5Å; R78-E94 PolarHBondContact NH2-OE2 2.94Å
79	I	84.5	Confident	77.1	Confident	2 Å²	2	66 Å²	66	1%	0.01	33%	0.327	C	S	.	.	H	α-helix	trans	-60.7	-44.6	174.9	-70.7	171.7	0	0	0	110.2	R75 V76 Q81 N82 N83 F91 E94 L98 L136	R75-I79 WeakPolarHBondContact O-CG1 3.46Å; R75-I79 PolarHBondContact O-N 3.34Å; V76-I79 WeakPolarHBondContact O-CB 3.22Å; V76-I79 PolarHBondContact O-N 3.19Å; V76-I79 VanDerWaalsContact O-N 3.15Å; I79-Q81 PolarHBondContact O-N 3.37Å; I79-N82 PolarHBondContact O-N 3.44Å; I79-N83 PolarHBondContact O-N 3.28Å; I79-F91 HydrophobicContact CG2-CD2 4.49Å; I79-F91 HydrophobicContact CG2-CE2 3.86Å; I79-E94 HydrophobicContact CD1-CG 4.32Å; I79-L98 HydrophobicContact CD1-CD1 3.62Å; I79-L136 HydrophobicContact CD1-CD2 4.03Å
80	K	82.1	Confident	76.6	Confident	108 Å²	108	69.8 Å²	69.8	47%	0.47	35%	0.347	S	S	.	.	H	α-helix	trans	-56	-46.2	175.1	176.6	-177.6	-170.5	175.2	0	112.4	V76 N77 R78 Y139	V76-K80 PolarHBondContact O-N 3.25Å; N77-K80 WeakPolarHBondContact O-CB 3.29Å; N77-K80 PolarHBondContact O-N 2.98Å; R78-K80 VanDerWaalsContact C-N 3.32Å; R78-K80 PolarHBondContact O-N 3.31Å; K80-Y139 HydrophobicContact CB-CD2 4.36Å; K80-Y139 HydrophobicContact CB-CE1 4.11Å; K80-Y139 HydrophobicContact CB-CE2 3.85Å; K80-Y139 HydrophobicContact CD-CE1 4.5Å; K80-Y139 HydrophobicContact CD-CE2 4.33Å; K80-Y139 WeakPolarHBondContact CD-OH 3.38Å; K80-Y139 WeakPolarHBondContact CE-OH 3.36Å; K80-Y139 HydrophobicContact CG-CE1 3.81Å; K80-Y139 HydrophobicContact CG-CE2 4.13Å; K80-Y139 WeakPolarHBondContact CG-OH 3.09Å
81	Q	78.4	Confident	76.3	Confident	149 Å²	149	65.9 Å²	65.9	70%	0.696	32%	0.322	S	S	*	.	H	α-helix	trans	-71	-33.3	-179.4	-70.5	173.9	3.4	0	0	112.8	N77 R78 I79	N77-Q81 WeakPolarHBondContact O-CG 3.32Å; N77-Q81 PolarHBondContact O-N 3.08Å; R78-Q81 PolarHBondContact O-N 3.02Å; I79-Q81 PolarHBondContact O-N 3.37Å
82	N	71.4	Confident	75.8	Confident	50 Å²	50	65.7 Å²	65.7	27%	0.267	32%	0.321	S	S	.	.	H	α-helix	trans	-93.6	2.5	-175.7	-73.6	-11.8	0	0	0	114.7	R78 I79 N84 H85 Q86	R78-N82 VanDerWaalsContact O-CB 3.32Å; R78-N82 WeakPolarHBondContact O-CB 3.38Å; R78-N82 PolarHBondContact O-N 3.13Å; I79-N82 PolarHBondContact O-N 3.44Å; N82-N84 PolarHBondContact O-N 3.41Å; N82-H85 PolarHBondContact O-N 2.89Å; N82-Q86 HydrophobicContact CB-CG 4.03Å; N82-Q86 PolarHBondContact ND2-NE2 3.33Å; N82-Q86 PolarHBondContact O-N 2.99Å; N82-Q86 VanDerWaalsContact O-N 3.11Å
83	N	62.2	Low	75.3	Confident	67 Å²	67	66.1 Å²	66.1	36%	0.358	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-24.8	-171.6	-153	14.7	0	0	0	113.7	I79	I79-N83 PolarHBondContact O-N 3.28Å
84	N	54.6	Low	75.1	Confident	141 Å²	141	65.3 Å²	65.3	75%	0.754	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-18.5	176.4	-70.8	-11.9	0	0	0	114.9	N82	N82-N84 PolarHBondContact O-N 3.41Å
85	H	48.7	Very low	75.1	Confident	166 Å²	166	64.2 Å²	64.2	77%	0.769	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.1	-22.2	-168.5	-68.6	85.5	0	0	0	114.7	N82 R87	N82-H85 PolarHBondContact O-N 2.89Å; H85-R87 PolarHBondContact O-N 3.43Å
86	Q	52.8	Low	75.1	Confident	66 Å²	66	64.4 Å²	64.4	31%	0.308	31%	0.307	S	S	.	.			trans	-94	78.5	176.3	-74.3	-179.4	-10.8	0	0	110.8	N82 R141	N82-Q86 HydrophobicContact CB-CG 4.03Å; N82-Q86 PolarHBondContact ND2-NE2 3.33Å; N82-Q86 PolarHBondContact O-N 2.99Å; N82-Q86 VanDerWaalsContact O-N 3.11Å; Q86-R141 PolarHBondContact O-NH2 3.23Å
87	R	53.1	Low	75.2	Confident	235 Å²	235	64.6 Å²	64.6	89%	0.887	31%	0.308	S	S	*	.			trans	-81.3	138.5	167.5	-71.9	-170.3	-177.9	-167.1	1	109.8	H85	H85-R87 PolarHBondContact O-N 3.43Å
88	G	67.8	Low	75.5	Confident	33 Å²	33	61.4 Å²	61.4	34%	0.34	29%	0.291	S	S	.	.	S	Bend	trans	107.9	-161.6	172.3	0	0	0	0	0	116.2	D90 F91	G88-D90 PolarHBondContact O-N 2.78Å; G88-F91 PolarHBondContact O-N 2.89Å
89	Q	72.6	Confident	75.9	Confident	49 Å²	49	58.3 Å²	58.3	23%	0.229	28%	0.28	C	S	.	.	H	α-helix	trans	-60.6	-36.8	-169.6	-172.5	68.7	12.8	0	0	114.1	F91 Y92 E93 S252	Q89-F91 VanDerWaalsContact C-N 3.29Å; Q89-F91 PolarHBondContact O-N 2.86Å; Q89-Y92 PolarHBondContact O-N 3.1Å; Q89-Y92 VanDerWaalsContact O-N 3.11Å; Q89-E93 HydrophobicContact CG-CG 4.45Å; Q89-E93 WeakPolarHBondContact CG-OE1 3.4Å; Q89-E93 WeakPolarHBondContact O-CG 3.23Å; Q89-E93 PolarHBondContact O-N 3.18Å; Q89-S252 PolarHBondContact NE2-OG 2.83Å
90	D	78.5	Confident	76.3	Confident	81 Å²	81	58.4 Å²	58.4	43%	0.433	28%	0.28	S	S	.	.	H	α-helix	trans	-58	-38.5	-178.8	-79.3	14.7	0	0	0	113.5	G88 E94 R421	G88-D90 PolarHBondContact O-N 2.78Å; D90-E94 PolarHBondContact O-N 3.12Å; D90-E94 VanDerWaalsContact O-N 3.17Å; D90-R421 IonicContact OD1-CZ 2.71Å; D90-R421 IonicContact OD1-NH1 2.74Å; D90-R421 PolarHBondContact OD1-NH1 2.84Å; D90-R421 IonicContact OD1-NH2 2.98Å; D90-R421 IonicContact OD2-CZ 2.68Å; D90-R421 IonicContact OD2-NH1 3.89Å; D90-R421 PolarHBondContact OD2-NH1 3.45Å; D90-R421 IonicContact OD2-NH2 3.66Å; D90-R421 PolarHBondContact OD2-NH2 2.95Å
91	F	83.1	Confident	76.9	Confident	4 Å²	4	53.5 Å²	53.5	2%	0.018	26%	0.259	C	S	.	.	H	α-helix	trans	-65.2	-49.2	175.4	167.7	-91.1	0	0	0	110.8	I79 G88 Q89 E93 E94 W95 Y139 R141 Y256	I79-F91 HydrophobicContact CG2-CD2 4.49Å; I79-F91 HydrophobicContact CG2-CE2 3.86Å; G88-F91 PolarHBondContact O-N 2.89Å; Q89-F91 VanDerWaalsContact C-N 3.29Å; Q89-F91 PolarHBondContact O-N 2.86Å; F91-E93 PolarHBondContact O-N 3.4Å; F91-E94 PolarHBondContact O-N 2.97Å; F91-W95 HydrophobicContact CE1-CB 4.35Å; F91-W95 HydrophobicContact CE1-CG 4.46Å; F91-W95 HydrophobicContact CZ-CB 4.25Å; F91-W95 AromaticContact CZ-CD1 3.83Å; F91-W95 HydrophobicContact CZ-CG 4.15Å; F91-W95 WeakPolarHBondContact O-CB 3.45Å; F91-W95 PolarHBondContact O-N 2.91Å; F91-Y139 WeakPolarHBondContact CZ-O 3.39Å; F91-R141 VanDerWaalsContact CB-NH2 3.26Å; F91-R141 HydrophobicContact CD1-CG 4.39Å; F91-R141 VanDerWaalsContact CD1-CZ 3.49Å; F91-R141 HydrophobicContact CE1-CG 3.75Å; F91-R141 HydrophobicContact CZ-CG 4.16Å; F91-Y256 HydrophobicContact CE1-CE2 4.13Å
92	Y	80.6	Confident	77.6	Confident	27 Å²	27	46.4 Å²	46.4	11%	0.106	23%	0.226	C	C	.	.	H	α-helix	trans	-61	-38.2	-177.7	-65.8	-57.8	0	0	0	110.9	Q89 T96 R141 P145 Y256	Q89-Y92 PolarHBondContact O-N 3.1Å; Q89-Y92 VanDerWaalsContact O-N 3.11Å; Y92-T96 WeakPolarHBondContact O-CB 3.46Å; Y92-T96 PolarHBondContact O-N 3.21Å; Y92-T96 PolarHBondContact O-OG1 3.45Å; Y92-R141 WeakPolarHBondContact OH-CD 3.38Å; Y92-R141 PolarHBondContact OH-NH1 2.66Å; Y92-P145 HydrophobicContact CD1-CG 3.9Å; Y92-P145 HydrophobicContact CD2-CB 4.34Å; Y92-P145 HydrophobicContact CD2-CG 4.36Å; Y92-P145 HydrophobicContact CE1-CB 4.03Å; Y92-P145 HydrophobicContact CE1-CG 3.51Å; Y92-P145 HydrophobicContact CE2-CB 3.71Å; Y92-P145 HydrophobicContact CE2-CG 4.03Å; Y92-P145 HydrophobicContact CG-CG 4.31Å; Y92-Y256 AromaticContact CD1-CD1 3.99Å; Y92-Y256 HydrophobicContact CD1-CD1 3.99Å; Y92-Y256 AromaticContact CD1-CD2 3.64Å; Y92-Y256 HydrophobicContact CD1-CD2 3.64Å; Y92-Y256 HydrophobicContact CD1-CE1 4.12Å; Y92-Y256 AromaticContact CD1-CE2 3.77Å; Y92-Y256 HydrophobicContact CD1-CE2 3.77Å; Y92-Y256 AromaticContact CD1-CG 3.76Å; Y92-Y256 HydrophobicContact CD1-CG 3.76Å; Y92-Y256 HydrophobicContact CE1-CD1 4.1Å; Y92-Y256 HydrophobicContact CE1-CD2 4.35Å; Y92-Y256 AromaticContact CE1-CE1 3.89Å; Y92-Y256 HydrophobicContact CE1-CE1 3.89Å; Y92-Y256 HydrophobicContact CE1-CE2 4.15Å; Y92-Y256 HydrophobicContact CE1-CG 4.33Å; Y92-Y256 AromaticContact CE1-CZ 3.92Å
93	E	81.4	Confident	78.7	Confident	12 Å²	12	44.1 Å²	44.1	6%	0.056	21%	0.213	C	C	.	.	H	α-helix	trans	-64.9	-53.9	176.9	-72.4	170.9	-170.8	0	0	113.3	Q89 F91 T96 M97 R329 R421	Q89-E93 HydrophobicContact CG-CG 4.45Å; Q89-E93 WeakPolarHBondContact CG-OE1 3.4Å; Q89-E93 WeakPolarHBondContact O-CG 3.23Å; Q89-E93 PolarHBondContact O-N 3.18Å; F91-E93 PolarHBondContact O-N 3.4Å; E93-T96 PolarHBondContact O-N 3.47Å; E93-M97 WeakPolarHBondContact O-CB 3.22Å; E93-M97 PolarHBondContact O-N 2.86Å; E93-R329 WeakPolarHBondContact OE1-CD 3.12Å; E93-R329 IonicContact OE1-CZ 3.71Å; E93-R329 IonicContact OE1-NE 2.98Å; E93-R329 IonicContact OE1-NH1 2.63Å; E93-R329 PolarHBondContact OE1-NH1 3.4Å; E93-R329 IonicContact OE2-NH1 3.29Å; E93-R421 WeakPolarHBondContact OE2-CD 3.49Å; E93-R421 IonicContact OE2-CZ 2.87Å; E93-R421 IonicContact OE2-NH1 3.6Å; E93-R421 PolarHBondContact OE2-NH1 3.28Å
94	E	85.7	Confident	80.1	Confident	25 Å²	25	41.2 Å²	41.2	12%	0.117	20%	0.198	C	C	.	.	H	α-helix	trans	-65.1	-43.8	-178	-176.4	73.1	-163.1	0	0	110.7	R75 R78 I79 D90 F91 M97 L98	R75-E94 IonicContact CZ-OE1 2.59Å; R75-E94 IonicContact NH1-OE1 3.63Å; R75-E94 PolarHBondContact NH1-OE1 3.03Å; R75-E94 IonicContact NH1-OE2 3.61Å; R78-E94 IonicContact NH2-OE1 3.34Å; R78-E94 PolarHBondContact NH2-OE1 3.09Å; R78-E94 IonicContact NH2-OE2 3.5Å; R78-E94 PolarHBondContact NH2-OE2 2.94Å; I79-E94 HydrophobicContact CD1-CG 4.32Å; D90-E94 PolarHBondContact O-N 3.12Å; D90-E94 VanDerWaalsContact O-N 3.17Å; F91-E94 PolarHBondContact O-N 2.97Å; E94-M97 PolarHBondContact O-N 3.2Å; E94-M97 WeakPolarHBondContact OE1-CE 3.44Å; E94-L98 HydrophobicContact CG-CD1 4.29Å; E94-L98 WeakPolarHBondContact O-CG 3.48Å; E94-L98 PolarHBondContact O-N 3.38Å
95	W	89.5	Confident	81.9	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.7	-48.2	178.5	-172	100.1	0	0	0	111.1	F91 M97 L98 T99 L136 Y256 A259 V260	F91-W95 HydrophobicContact CE1-CB 4.35Å; F91-W95 HydrophobicContact CE1-CG 4.46Å; F91-W95 HydrophobicContact CZ-CB 4.25Å; F91-W95 AromaticContact CZ-CD1 3.83Å; F91-W95 HydrophobicContact CZ-CG 4.15Å; F91-W95 WeakPolarHBondContact O-CB 3.45Å; F91-W95 PolarHBondContact O-N 2.91Å; W95-M97 PolarHBondContact O-N 3.05Å; W95-L98 PolarHBondContact O-N 3.26Å; W95-T99 HydrophobicContact CH2-CG2 3.91Å; W95-T99 HydrophobicContact CZ3-CG2 4.07Å; W95-T99 WeakPolarHBondContact O-CB 3.42Å; W95-T99 PolarHBondContact O-N 2.73Å; W95-T99 PolarHBondContact O-OG1 3.32Å; W95-L136 HydrophobicContact CZ2-CB 4.4Å; W95-L136 PolarHBondContact NE1-O 2.84Å; W95-Y256 HydrophobicContact CD2-CD2 4.07Å; W95-Y256 AromaticContact CD2-CE2 3.71Å; W95-Y256 HydrophobicContact CD2-CE2 3.71Å; W95-Y256 AromaticContact CE3-CD2 3.34Å; W95-Y256 HydrophobicContact CE3-CD2 3.34Å; W95-Y256 AromaticContact CE3-CE2 3.41Å; W95-Y256 HydrophobicContact CE3-CE2 3.41Å; W95-Y256 VanDerWaalsContact CE3-CE2 3.41Å; W95-Y256 HydrophobicContact CG-CE2 4.27Å; W95-Y256 HydrophobicContact CH2-CE2 4.37Å; W95-Y256 AromaticContact CZ3-CD2 3.67Å; W95-Y256 HydrophobicContact CZ3-CD2 3.67Å; W95-Y256 AromaticContact CZ3-CE2 3.74Å; W95-Y256 HydrophobicContact CZ3-CE2 3.74Å; W95-A259 HydrophobicContact CE3-CB 4.5Å; W95-A259 HydrophobicContact CH2-CB 4.16Å; W95-A259 HydrophobicContact CZ3-CB 3.52Å; W95-V260 HydrophobicContact CH2-CB 4.38Å; W95-V260 HydrophobicContact CH2-CG2 3.62Å; W95-V260 HydrophobicContact CZ2-CG2 4.32Å; W95-V260 HydrophobicContact CZ3-CG2 4.01Å
96	T	89.9	Confident	83.9	Confident	4 Å²	4	26.6 Å²	26.6	3%	0.025	13%	0.126	C	C	.	.	H	α-helix	trans	-65.3	-40.5	-179.1	-63.2	0	0	0	0	111.8	Y92 E93 T99 W100 T255 Y256	Y92-T96 WeakPolarHBondContact O-CB 3.46Å; Y92-T96 PolarHBondContact O-N 3.21Å; Y92-T96 PolarHBondContact O-OG1 3.45Å; E93-T96 PolarHBondContact O-N 3.47Å; T96-T99 PolarHBondContact O-N 3.46Å; T96-W100 VanDerWaalsContact CG2-CD1 3.43Å; T96-W100 VanDerWaalsContact O-CD1 3.29Å; T96-W100 PolarHBondContact O-N 3.07Å; T96-T255 HydrophobicContact CG2-CG2 3.49Å; T96-T255 VanDerWaalsContact CG2-CG2 3.49Å; T96-Y256 WeakPolarHBondContact OG1-CA 3.38Å; T96-Y256 WeakPolarHBondContact OG1-CB 3.48Å
97	M	90.4	Very high	85.7	Confident	5 Å²	5	23.9 Å²	23.9	3%	0.025	11%	0.113	C	C	.	.	H	α-helix	trans	-60.3	-47.8	175.4	-179.6	-76.9	-66.9	0	0	111.3	F28 Q29 L32 E93 E94 W95 N101	F28-M97 HydrophobicContact CD1-CE 4.08Å; F28-M97 HydrophobicContact CD1-SD 4.16Å; F28-M97 HydrophobicContact CE1-CE 3.75Å; F28-M97 HydrophobicContact CE1-SD 3.58Å; F28-M97 VanDerWaalsContact CE1-SD 3.58Å; Q29-M97 PolarHBondContact NE2-SD 3.36Å; Q29-M97 VanDerWaalsContact NE2-SD 3.42Å; L32-M97 HydrophobicContact CD1-SD 4.29Å; E93-M97 WeakPolarHBondContact O-CB 3.22Å; E93-M97 PolarHBondContact O-N 2.86Å; E94-M97 PolarHBondContact O-N 3.2Å; E94-M97 WeakPolarHBondContact OE1-CE 3.44Å; W95-M97 PolarHBondContact O-N 3.05Å; M97-N101 WeakPolarHBondContact O-CB 3.36Å; M97-N101 PolarHBondContact O-N 3.02Å; M97-N101 PolarHBondContact O-ND2 3.27Å
98	L	92.4	Very high	87.3	Confident	1 Å²	1	13.2 Å²	13.2	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-63.7	-51	177.2	-69.4	171.1	0	0	0	111.4	F28 R75 I79 E94 W95 W100 N101 V102 L136	F28-L98 HydrophobicContact CE1-CD2 4.04Å; F28-L98 HydrophobicContact CZ-CD2 3.91Å; R75-L98 HydrophobicContact CB-CD1 3.76Å; R75-L98 HydrophobicContact CB-CD2 4.07Å; I79-L98 HydrophobicContact CD1-CD1 3.62Å; E94-L98 HydrophobicContact CG-CD1 4.29Å; E94-L98 WeakPolarHBondContact O-CG 3.48Å; E94-L98 PolarHBondContact O-N 3.38Å; W95-L98 PolarHBondContact O-N 3.26Å; L98-W100 PolarHBondContact O-N 2.74Å; L98-N101 PolarHBondContact O-N 3.42Å; L98-V102 WeakPolarHBondContact O-CB 3.44Å; L98-V102 VanDerWaalsContact O-CG2 3.26Å; L98-V102 WeakPolarHBondContact O-CG2 3.23Å; L98-V102 PolarHBondContact O-N 2.71Å; L98-L136 HydrophobicContact CB-CD1 4.18Å; L98-L136 HydrophobicContact CB-CD2 4.49Å; L98-L136 HydrophobicContact CD1-CD2 4.4Å
99	T	93.9	Very high	88.2	Confident	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-59	-49.1	-175.4	-60.5	0	0	0	0	112	W95 T96 V102 L103 L133 A259 A263	W95-T99 HydrophobicContact CH2-CG2 3.91Å; W95-T99 HydrophobicContact CZ3-CG2 4.07Å; W95-T99 WeakPolarHBondContact O-CB 3.42Å; W95-T99 PolarHBondContact O-N 2.73Å; W95-T99 PolarHBondContact O-OG1 3.32Å; T96-T99 PolarHBondContact O-N 3.46Å; T99-V102 PolarHBondContact O-N 2.98Å; T99-L103 HydrophobicContact CG2-CD1 3.97Å; T99-L103 HydrophobicContact CG2-CG 4.45Å; T99-L103 WeakPolarHBondContact O-CB 3.43Å; T99-L103 VanDerWaalsContact O-CG 3.26Å; T99-L103 WeakPolarHBondContact O-CG 3.4Å; T99-L103 PolarHBondContact O-N 2.63Å; T99-L133 HydrophobicContact CG2-CD2 4.24Å; T99-A259 HydrophobicContact CG2-CB 3.89Å; T99-A263 HydrophobicContact CG2-CB 3.83Å
100	W	93.9	Very high	88.5	Confident	3 Å²	3	10.7 Å²	10.7	1%	0.011	5%	0.053	C	C	.	.	H	α-helix	trans	-67.8	-37.5	-179.9	-77.5	118.6	0	0	0	113.3	T96 L98 L103 C104 T255 L258 A259 V291 F292 L295 P482	T96-W100 VanDerWaalsContact CG2-CD1 3.43Å; T96-W100 VanDerWaalsContact O-CD1 3.29Å; T96-W100 PolarHBondContact O-N 3.07Å; L98-W100 PolarHBondContact O-N 2.74Å; W100-L103 HydrophobicContact CD2-CD1 4.36Å; W100-L103 HydrophobicContact CE3-CB 4.37Å; W100-L103 HydrophobicContact CE3-CD1 3.64Å; W100-L103 HydrophobicContact CZ3-CD1 3.77Å; W100-L103 PolarHBondContact O-N 2.9Å; W100-C104 WeakPolarHBondContact O-CB 3.24Å; W100-C104 PolarHBondContact O-N 2.87Å; W100-C104 PolarHBondContact O-SG 2.74Å; W100-T255 PolarHBondContact NE1-O 3.03Å; W100-L258 HydrophobicContact CH2-CB 4.23Å; W100-L258 HydrophobicContact CZ2-CB 3.78Å; W100-A259 HydrophobicContact CD2-CB 4.36Å; W100-A259 HydrophobicContact CZ2-CB 3.92Å; W100-V291 HydrophobicContact CH2-CG1 4.31Å; W100-F292 AromaticContact CZ3-CD1 3.96Å; W100-F292 HydrophobicContact CZ3-CD1 3.96Å; W100-F292 HydrophobicContact CZ3-CE1 4.05Å; W100-L295 HydrophobicContact CD2-CD2 3.81Å; W100-L295 HydrophobicContact CE3-CD2 3.7Å; W100-L295 HydrophobicContact CH2-CB 4.11Å; W100-L295 HydrophobicContact CH2-CD1 4.45Å; W100-L295 HydrophobicContact CH2-CD2 3.72Å; W100-L295 HydrophobicContact CH2-CG 4.3Å; W100-L295 HydrophobicContact CZ2-CB 4.33Å; W100-L295 HydrophobicContact CZ2-CD1 3.87Å; W100-L295 HydrophobicContact CZ2-CD2 3.82Å; W100-L295 HydrophobicContact CZ2-CG 4.21Å; W100-L295 HydrophobicContact CZ3-CD2 3.66Å; W100-P482 HydrophobicContact CE3-CB 4.25Å; W100-P482 HydrophobicContact CE3-CG 3.53Å; W100-P482 HydrophobicContact CZ3-CB 4.31Å; W100-P482 HydrophobicContact CZ3-CG 3.85Å
101	N	93.1	Very high	88.2	Confident	5 Å²	5	10 Å²	10	3%	0.027	5%	0.049	C	C	.	.	H	α-helix	trans	-68.2	-38.7	176.9	-77.1	-67.2	0	0	0	111.7	L32 F36 M97 L98 C104 I105 V332	L32-N101 HydrophobicContact CD1-CB 4.09Å; L32-N101 HydrophobicContact CD2-CB 4Å; F36-N101 WeakPolarHBondContact CE2-OD1 3.14Å; M97-N101 WeakPolarHBondContact O-CB 3.36Å; M97-N101 PolarHBondContact O-N 3.02Å; M97-N101 PolarHBondContact O-ND2 3.27Å; L98-N101 PolarHBondContact O-N 3.42Å; N101-C104 WeakPolarHBondContact O-CB 3.28Å; N101-C104 PolarHBondContact O-N 2.86Å; N101-I105 VanDerWaalsContact O-CG1 3.3Å; N101-I105 WeakPolarHBondContact O-CG1 3.32Å; N101-I105 PolarHBondContact O-N 2.75Å; N101-I105 VanDerWaalsContact O-N 3.08Å; N101-V332 WeakPolarHBondContact OD1-CG2 3.17Å
102	V	94.1	Very high	87.5	Confident	1 Å²	1	12.1 Å²	12.1	1%	0.006	7%	0.065	C	C	.	.	H	α-helix	trans	-64.3	-46.6	172.7	177.1	0	0	0	0	110.5	I72 L98 T99 C104 I105 T106 L129 L133	I72-V102 HydrophobicContact CD1-CG2 3.98Å; I72-V102 HydrophobicContact CG1-CG2 4.49Å; I72-V102 HydrophobicContact CG2-CG2 4.06Å; L98-V102 WeakPolarHBondContact O-CB 3.44Å; L98-V102 VanDerWaalsContact O-CG2 3.26Å; L98-V102 WeakPolarHBondContact O-CG2 3.23Å; L98-V102 PolarHBondContact O-N 2.71Å; T99-V102 PolarHBondContact O-N 2.98Å; V102-C104 VanDerWaalsContact C-N 3.3Å; V102-C104 PolarHBondContact O-N 2.77Å; V102-I105 PolarHBondContact O-N 2.83Å; V102-I105 VanDerWaalsContact O-N 3.13Å; V102-T106 WeakPolarHBondContact O-CB 3.41Å; V102-T106 PolarHBondContact O-N 3.32Å; V102-T106 PolarHBondContact O-OG1 3.24Å; V102-L129 HydrophobicContact CG1-CB 4.29Å; V102-L129 HydrophobicContact CG1-CD2 4.04Å; V102-L133 HydrophobicContact CB-CD2 3.87Å; V102-L133 HydrophobicContact CB-CG 4.34Å; V102-L133 HydrophobicContact CG1-CD1 4Å; V102-L133 HydrophobicContact CG1-CD2 3.59Å; V102-L133 HydrophobicContact CG1-CG 3.51Å
103	L	93.8	Very high	86.9	Confident	1 Å²	1	12.4 Å²	12.4	1%	0.005	7%	0.068	C	C	.	.	H	α-helix	trans	-56.6	-42.9	174.5	-74	171.2	0	0	0	112.2	T99 W100 I105 T106 N107 L133 Q266	T99-L103 HydrophobicContact CG2-CD1 3.97Å; T99-L103 HydrophobicContact CG2-CG 4.45Å; T99-L103 WeakPolarHBondContact O-CB 3.43Å; T99-L103 VanDerWaalsContact O-CG 3.26Å; T99-L103 WeakPolarHBondContact O-CG 3.4Å; T99-L103 PolarHBondContact O-N 2.63Å; W100-L103 HydrophobicContact CD2-CD1 4.36Å; W100-L103 HydrophobicContact CE3-CB 4.37Å; W100-L103 HydrophobicContact CE3-CD1 3.64Å; W100-L103 HydrophobicContact CZ3-CD1 3.77Å; W100-L103 PolarHBondContact O-N 2.9Å; L103-I105 VanDerWaalsContact C-N 3.34Å; L103-I105 PolarHBondContact O-N 2.87Å; L103-T106 PolarHBondContact O-N 3.16Å; L103-N107 WeakPolarHBondContact O-CB 3.25Å; L103-N107 PolarHBondContact O-N 2.97Å; L103-L133 HydrophobicContact CD2-CD1 3.93Å; L103-L133 HydrophobicContact CD2-CD2 4.42Å; L103-L133 HydrophobicContact CG-CD2 4.26Å; L103-Q266 HydrophobicContact CD2-CB 3.61Å; L103-Q266 HydrophobicContact CD2-CG 3.87Å
104	C	92.9	Very high	85.8	Confident	6 Å²	6	16.4 Å²	16.4	4%	0.041	10%	0.097	C	C	.	.	H	α-helix	trans	-58.6	-41.1	175.4	-88.8	0	0	0	0	113.4	F36 W100 N101 V102 R108 P482	F36-C104 HydrophobicContact CE1-CB 3.99Å; F36-C104 HydrophobicContact CZ-CB 3.68Å; W100-C104 WeakPolarHBondContact O-CB 3.24Å; W100-C104 PolarHBondContact O-N 2.87Å; W100-C104 PolarHBondContact O-SG 2.74Å; N101-C104 WeakPolarHBondContact O-CB 3.28Å; N101-C104 PolarHBondContact O-N 2.86Å; V102-C104 VanDerWaalsContact C-N 3.3Å; V102-C104 PolarHBondContact O-N 2.77Å; C104-R108 WeakPolarHBondContact O-CD 3.4Å; C104-R108 VanDerWaalsContact O-CG 3.31Å; C104-R108 WeakPolarHBondContact O-CG 3.21Å; C104-R108 PolarHBondContact O-NH1 3.35Å; C104-P482 WeakPolarHBondContact SG-CA 3.22Å
105	I	92.8	Very high	84.3	Confident	1 Å²	1	23.2 Å²	23.2	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-75.2	-49.3	179.2	-63.5	167	0	0	0	109.6	L32 L35 F36 W39 I65 N101 V102 L103 N107 R108 L109 L129	L32-I105 HydrophobicContact CD2-CD1 4.45Å; L35-I105 HydrophobicContact CD2-CD1 3.72Å; L35-I105 HydrophobicContact CD2-CG1 3.89Å; F36-I105 HydrophobicContact CE1-CG1 4.03Å; F36-I105 HydrophobicContact CZ-CG1 4.1Å; W39-I105 HydrophobicContact CZ3-CG2 4.35Å; I65-I105 HydrophobicContact CD1-CG2 4.21Å; I65-I105 HydrophobicContact CG1-CG2 4.26Å; I65-I105 HydrophobicContact CG2-CG2 4.2Å; N101-I105 VanDerWaalsContact O-CG1 3.3Å; N101-I105 WeakPolarHBondContact O-CG1 3.32Å; N101-I105 PolarHBondContact O-N 2.75Å; N101-I105 VanDerWaalsContact O-N 3.08Å; V102-I105 PolarHBondContact O-N 2.83Å; V102-I105 VanDerWaalsContact O-N 3.13Å; L103-I105 VanDerWaalsContact C-N 3.34Å; L103-I105 PolarHBondContact O-N 2.87Å; I105-N107 PolarHBondContact O-N 2.9Å; I105-R108 PolarHBondContact O-N 3.01Å; I105-L109 HydrophobicContact CG2-CD1 4.04Å; I105-L109 HydrophobicContact CG2-CG 4.42Å; I105-L109 PolarHBondContact O-N 2.7Å; I105-L129 HydrophobicContact CB-CD1 4.49Å; I105-L129 HydrophobicContact CG2-CD1 3.69Å; I105-L129 HydrophobicContact CG2-CD2 4.28Å
106	T	90.4	Very high	82.3	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-57.9	-47.1	-177.6	-59.5	0	0	0	0	111.8	V102 L103 R108 L109 Q110 Y126 L129 Q266	V102-T106 WeakPolarHBondContact O-CB 3.41Å; V102-T106 PolarHBondContact O-N 3.32Å; V102-T106 PolarHBondContact O-OG1 3.24Å; L103-T106 PolarHBondContact O-N 3.16Å; T106-R108 PolarHBondContact O-N 2.8Å; T106-L109 PolarHBondContact O-N 3.49Å; T106-Q110 WeakPolarHBondContact O-CB 3.41Å; T106-Q110 PolarHBondContact O-N 3.03Å; T106-Y126 HydrophobicContact CG2-CD2 4.09Å; T106-Y126 HydrophobicContact CG2-CE2 3.41Å; T106-Y126 VanDerWaalsContact CG2-CE2 3.41Å; T106-L129 WeakPolarHBondContact OG1-CB 3.37Å; T106-Q266 HydrophobicContact CG2-CG 3.97Å; T106-Q266 VanDerWaalsContact CG2-NE2 3.31Å
107	N	88.9	Confident	80.3	Confident	8 Å²	8	34.3 Å²	34.3	4%	0.043	20%	0.196	C	C	.	.	H	α-helix	trans	-68	-35.5	-178.5	-167	48.3	0	0	0	112.5	L103 I105 Q110 N111 R269 F292 P482	L103-N107 WeakPolarHBondContact O-CB 3.25Å; L103-N107 PolarHBondContact O-N 2.97Å; I105-N107 PolarHBondContact O-N 2.9Å; N107-Q110 PolarHBondContact O-N 2.99Å; N107-N111 PolarHBondContact O-N 2.81Å; N107-N111 VanDerWaalsContact O-N 3.1Å; N107-R269 PolarHBondContact OD1-NH1 3.38Å; N107-F292 HydrophobicContact CB-CE2 4.48Å; N107-P482 WeakPolarHBondContact CB-O 3.08Å; N107-P482 PolarHBondContact ND2-O 2.88Å
108	R	88.4	Confident	78.9	Confident	12 Å²	12	36.4 Å²	36.4	5%	0.045	21%	0.209	C	C	.	.	H	α-helix	trans	-67.5	-42.4	174.8	-74.7	178.9	175.4	81.4	1.9	112.4	W39 H40 C104 I105 T106 Q110 N111 S112 S481 G484	W39-R108 HydrophobicContact CH2-CB 3.88Å; W39-R108 HydrophobicContact CZ2-CB 3.58Å; H40-R108 PolarHBondContact NE2-NE 3.01Å; C104-R108 WeakPolarHBondContact O-CD 3.4Å; C104-R108 VanDerWaalsContact O-CG 3.31Å; C104-R108 WeakPolarHBondContact O-CG 3.21Å; C104-R108 PolarHBondContact O-NH1 3.35Å; I105-R108 PolarHBondContact O-N 3.01Å; T106-R108 PolarHBondContact O-N 2.8Å; R108-Q110 VanDerWaalsContact C-N 3.34Å; R108-N111 PolarHBondContact O-N 3.36Å; R108-S112 PolarHBondContact O-N 3.16Å; R108-S481 VanDerWaalsContact CZ-O 3.25Å; R108-S481 PolarHBondContact NH1-O 3.29Å; R108-S481 PolarHBondContact NH2-O 2.85Å; R108-G484 PolarHBondContact NH2-O 3.4Å
109	L	84.9	Confident	77.7	Confident	13 Å²	13	38.4 Å²	38.4	7%	0.068	22%	0.223	C	C	.	.	H	α-helix	trans	-61.1	-44.5	173.4	-73	176	0	0	0	111	W39 I65 I105 T106 N111 S112 L113 I125 Y126 L129	W39-L109 HydrophobicContact CH2-CD2 3.64Å; W39-L109 HydrophobicContact CH2-CG 3.83Å; W39-L109 HydrophobicContact CZ2-CD2 4.23Å; I65-L109 HydrophobicContact CD1-CD1 4.44Å; I65-L109 HydrophobicContact CD1-CD2 4.12Å; I105-L109 HydrophobicContact CG2-CD1 4.04Å; I105-L109 HydrophobicContact CG2-CG 4.42Å; I105-L109 PolarHBondContact O-N 2.7Å; T106-L109 PolarHBondContact O-N 3.49Å; L109-N111 VanDerWaalsContact C-N 3.35Å; L109-N111 PolarHBondContact O-N 3.42Å; L109-S112 CarbonylContact O-C 3.58Å; L109-S112 WeakPolarHBondContact O-CB 3.36Å; L109-S112 PolarHBondContact O-N 2.99Å; L109-S112 VanDerWaalsContact O-N 3.1Å; L109-L113 HydrophobicContact CB-CD1 4.49Å; L109-L113 WeakPolarHBondContact O-CB 3.46Å; L109-L113 WeakPolarHBondContact O-CG 3.29Å; L109-L113 PolarHBondContact O-N 3.45Å; L109-I125 HydrophobicContact CD1-CG2 3.63Å; L109-Y126 HydrophobicContact CB-CD2 4.26Å; L109-L129 HydrophobicContact CD1-CD1 3.42Å; L109-L129 VanDerWaalsContact CD1-CD1 3.42Å
110	Q	79.5	Confident	76.9	Confident	15 Å²	15	44.8 Å²	44.8	7%	0.07	26%	0.257	C	S	.	.	H	α-helix	trans	-58.3	-45.1	179	-172.4	69.5	-6.5	0	0	112.2	T106 N107 R108 S112 L113 S114 Y126	T106-Q110 WeakPolarHBondContact O-CB 3.41Å; T106-Q110 PolarHBondContact O-N 3.03Å; N107-Q110 PolarHBondContact O-N 2.99Å; R108-Q110 VanDerWaalsContact C-N 3.34Å; Q110-S112 VanDerWaalsContact C-N 3.28Å; Q110-S112 PolarHBondContact O-N 2.98Å; Q110-L113 PolarHBondContact O-N 2.92Å; Q110-S114 PolarHBondContact O-N 2.98Å; Q110-S114 VanDerWaalsContact O-N 3.13Å; Q110-S114 PolarHBondContact O-OG 3.23Å; Q110-Y126 HydrophobicContact CB-CE2 4.02Å; Q110-Y126 VanDerWaalsContact CD-OH 3.24Å; Q110-Y126 VanDerWaalsContact OE1-CE1 3.3Å; Q110-Y126 PolarHBondContact OE1-OH 3.4Å
111	N	73.1	Confident	76.2	Confident	67 Å²	67	48.7 Å²	48.7	36%	0.358	28%	0.275	S	S	.	.	H	α-helix	trans	-62.7	-35.9	176.8	-69.7	-13.3	0	0	0	112.4	N107 R108 L109 Q115	N107-N111 PolarHBondContact O-N 2.81Å; N107-N111 VanDerWaalsContact O-N 3.1Å; R108-N111 PolarHBondContact O-N 3.36Å; L109-N111 VanDerWaalsContact C-N 3.35Å; L109-N111 PolarHBondContact O-N 3.42Å; N111-Q115 WeakPolarHBondContact O-CG 3.05Å
112	S	69	Low	75.5	Confident	49 Å²	49	49.5 Å²	49.5	34%	0.343	28%	0.28	S	S	.	.	H	α-helix	trans	-71.9	-37	175.3	-171.7	0	0	0	0	112.7	R108 L109 Q110 S114 Q115 V116	R108-S112 PolarHBondContact O-N 3.16Å; L109-S112 CarbonylContact O-C 3.58Å; L109-S112 WeakPolarHBondContact O-CB 3.36Å; L109-S112 PolarHBondContact O-N 2.99Å; L109-S112 VanDerWaalsContact O-N 3.1Å; Q110-S112 VanDerWaalsContact C-N 3.28Å; Q110-S112 PolarHBondContact O-N 2.98Å; S112-S114 VanDerWaalsContact C-N 3.28Å; S112-S114 PolarHBondContact O-N 3.39Å; S112-Q115 PolarHBondContact O-N 2.86Å; S112-V116 PolarHBondContact O-N 3.26Å
113	L	65.9	Low	74.9	Confident	33 Å²	33	55 Å²	55	17%	0.173	30%	0.303	C	S	.	.	H	α-helix	trans	-65.3	-31.7	178.7	-75.5	164.4	0	0	0	112	L109 Q110 Q115 V118 D122 Y126	L109-L113 HydrophobicContact CB-CD1 4.49Å; L109-L113 WeakPolarHBondContact O-CB 3.46Å; L109-L113 WeakPolarHBondContact O-CG 3.29Å; L109-L113 PolarHBondContact O-N 3.45Å; Q110-L113 PolarHBondContact O-N 2.92Å; L113-Q115 VanDerWaalsContact C-N 3.29Å; L113-Q115 PolarHBondContact O-N 2.87Å; L113-V118 HydrophobicContact CB-CG2 4.47Å; L113-V118 HydrophobicContact CD2-CB 4.11Å; L113-V118 HydrophobicContact CD2-CG1 3.38Å; L113-V118 HydrophobicContact CD2-CG2 3.73Å; L113-D122 HydrophobicContact CD2-CB 3.84Å; L113-Y126 HydrophobicContact CD1-CD1 4.22Å; L113-Y126 HydrophobicContact CD1-CD2 3.95Å; L113-Y126 HydrophobicContact CD1-CE2 4.45Å; L113-Y126 HydrophobicContact CD1-CG 3.85Å
114	S	59.7	Low	74.5	Confident	95 Å²	95	60.7 Å²	60.7	66%	0.664	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-15.5	175.3	-56.9	0	0	0	0	113.9	Q110 S112	Q110-S114 PolarHBondContact O-N 2.98Å; Q110-S114 VanDerWaalsContact O-N 3.13Å; Q110-S114 PolarHBondContact O-OG 3.23Å; S112-S114 VanDerWaalsContact C-N 3.28Å; S112-S114 PolarHBondContact O-N 3.39Å
115	Q	53.6	Low	74.3	Confident	168 Å²	168	60.6 Å²	60.6	79%	0.785	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	-17.2	-172.9	-69.2	-176.4	-11.4	0	0	114.6	N111 S112 L113	N111-Q115 WeakPolarHBondContact O-CG 3.05Å; S112-Q115 PolarHBondContact O-N 2.86Å; L113-Q115 VanDerWaalsContact C-N 3.29Å; L113-Q115 PolarHBondContact O-N 2.87Å
116	V	47.6	Very low	74.1	Confident	96 Å²	96	60.8 Å²	60.8	58%	0.582	33%	0.331	S	S	*	.	S	Bend	trans	-135	150.8	-171.9	-175.2	0	0	0	0	111.6	S112 V118	S112-V116 PolarHBondContact O-N 3.26Å; V116-V118 PolarHBondContact O-N 3.44Å; V116-V118 VanDerWaalsContact O-N 3.1Å
117	V	48.2	Very low	74	Confident	142 Å²	142	63.2 Å²	63.2	86%	0.861	35%	0.348	S	S	*	.			trans	-53.6	115.2	172.3	179.4	0	0	0	0	110	S119	V117-S119 PolarHBondContact O-N 2.86Å
118	V	60.6	Low	74.1	Confident	49 Å²	49	66.5 Å²	66.5	30%	0.297	36%	0.36	S	S	.	.			trans	-74.6	116.8	-170.4	-178.9	0	0	0	0	111.5	L113 V116 D122 K123	L113-V118 HydrophobicContact CB-CG2 4.47Å; L113-V118 HydrophobicContact CD2-CB 4.11Å; L113-V118 HydrophobicContact CD2-CG1 3.38Å; L113-V118 HydrophobicContact CD2-CG2 3.73Å; V116-V118 PolarHBondContact O-N 3.44Å; V116-V118 VanDerWaalsContact O-N 3.1Å; V118-D122 HydrophobicContact CG1-CB 4.41Å; V118-K123 HydrophobicContact CG1-CD 4.01Å; V118-K123 VanDerWaalsContact CG1-CE 3.43Å; V118-K123 HydrophobicContact CG1-CG 3.44Å; V118-K123 VanDerWaalsContact CG1-CG 3.44Å
119	S	68.6	Low	74.3	Confident	42 Å²	42	66 Å²	66	29%	0.294	36%	0.358	S	S	.	.			trans	-71.4	152.6	170.5	77.4	0	0	0	0	111.4	V117 E121 D122 K123	V117-S119 PolarHBondContact O-N 2.86Å; S119-E121 PolarHBondContact O-N 3.38Å; S119-D122 WeakPolarHBondContact CB-OD2 3.26Å; S119-D122 PolarHBondContact O-N 2.97Å; S119-D122 PolarHBondContact OG-N 3.36Å; S119-D122 PolarHBondContact OG-OD2 3.29Å; S119-K123 PolarHBondContact O-N 3.46Å
120	N	75.9	Confident	74.6	Confident	135 Å²	135	65.4 Å²	65.4	72%	0.722	36%	0.355	S	S	*	.	H	α-helix	trans	-61.6	-28.7	175.8	-76.5	-20.2	0	0	0	112.4	M124	N120-M124 PolarHBondContact O-N 3.22Å; N120-M124 VanDerWaalsContact O-N 3.16Å
121	E	79.1	Confident	75.2	Confident	84 Å²	84	69.6 Å²	69.6	39%	0.393	38%	0.375	S	S	.	.	H	α-helix	trans	-65.3	-43.6	175	-170.4	179.3	-176.1	0	0	111.4	S119 K123 M124 I125	S119-E121 PolarHBondContact O-N 3.38Å; E121-K123 VanDerWaalsContact C-N 3.33Å; E121-K123 PolarHBondContact O-N 3.41Å; E121-M124 WeakPolarHBondContact O-CB 3.4Å; E121-M124 PolarHBondContact O-N 3.04Å; E121-M124 VanDerWaalsContact O-N 3.13Å; E121-I125 HydrophobicContact CG-CD1 4.15Å; E121-I125 WeakPolarHBondContact O-CG1 3.43Å; E121-I125 PolarHBondContact O-N 2.66Å
122	D	79.3	Confident	76.1	Confident	22 Å²	22	66.4 Å²	66.4	12%	0.118	36%	0.358	C	S	.	.	H	α-helix	trans	-64.3	-38.1	179.4	-60.9	-42	0	0	0	111.8	K62 L113 V118 S119 M124 Y126	K62-D122 WeakPolarHBondContact CE-OD1 3.29Å; K62-D122 VanDerWaalsContact NZ-CG 3.28Å; K62-D122 IonicContact NZ-OD1 2.96Å; K62-D122 PolarHBondContact NZ-OD1 2.89Å; K62-D122 IonicContact NZ-OD2 3.96Å; K62-D122 PolarHBondContact NZ-OD2 3.33Å; L113-D122 HydrophobicContact CD2-CB 3.84Å; V118-D122 HydrophobicContact CG1-CB 4.41Å; S119-D122 WeakPolarHBondContact CB-OD2 3.26Å; S119-D122 PolarHBondContact O-N 2.97Å; S119-D122 PolarHBondContact OG-N 3.36Å; S119-D122 PolarHBondContact OG-OD2 3.29Å; D122-M124 VanDerWaalsContact C-N 3.35Å; D122-Y126 WeakPolarHBondContact O-CB 3.49Å; D122-Y126 PolarHBondContact O-N 3.28Å
123	K	81.2	Confident	77.2	Confident	116 Å²	116	64.1 Å²	64.1	50%	0.504	34%	0.342	S	S	.	.	H	α-helix	trans	-63.4	-40.7	173.5	-67	177.7	-177.4	166.3	0	111.9	V118 S119 E121 Y126 S127	V118-K123 HydrophobicContact CG1-CD 4.01Å; V118-K123 VanDerWaalsContact CG1-CE 3.43Å; V118-K123 HydrophobicContact CG1-CG 3.44Å; V118-K123 VanDerWaalsContact CG1-CG 3.44Å; S119-K123 PolarHBondContact O-N 3.46Å; E121-K123 VanDerWaalsContact C-N 3.33Å; E121-K123 PolarHBondContact O-N 3.41Å; K123-Y126 PolarHBondContact O-N 2.8Å; K123-S127 VanDerWaalsContact O-CB 3.29Å; K123-S127 WeakPolarHBondContact O-CB 3.34Å; K123-S127 PolarHBondContact O-N 3.33Å
124	M	86.2	Confident	78.4	Confident	121 Å²	121	65.5 Å²	65.5	60%	0.596	35%	0.351	S	S	*	.	H	α-helix	trans	-66.5	-46	179	-173.5	-175.5	178.2	0	0	111.3	N120 E121 D122 Y126 S127 R128	N120-M124 PolarHBondContact O-N 3.22Å; N120-M124 VanDerWaalsContact O-N 3.16Å; E121-M124 WeakPolarHBondContact O-CB 3.4Å; E121-M124 PolarHBondContact O-N 3.04Å; E121-M124 VanDerWaalsContact O-N 3.13Å; D122-M124 VanDerWaalsContact C-N 3.35Å; M124-Y126 VanDerWaalsContact C-N 3.34Å; M124-Y126 PolarHBondContact O-N 3.4Å; M124-S127 PolarHBondContact O-N 3.29Å; M124-R128 WeakPolarHBondContact O-CG 3.24Å; M124-R128 PolarHBondContact O-N 3.24Å
125	I	88.1	Confident	79.8	Confident	5 Å²	5	63.4 Å²	63.4	3%	0.026	33%	0.331	C	S	.	.	H	α-helix	trans	-58.6	-49	175.3	-68.6	170.6	0	0	0	109.9	I65 L69 L109 E121 S127 R128 L129	I65-I125 HydrophobicContact CG2-CG2 3.55Å; L69-I125 HydrophobicContact CD1-CG2 4.11Å; L109-I125 HydrophobicContact CD1-CG2 3.63Å; E121-I125 HydrophobicContact CG-CD1 4.15Å; E121-I125 WeakPolarHBondContact O-CG1 3.43Å; E121-I125 PolarHBondContact O-N 2.66Å; I125-S127 PolarHBondContact O-N 3.2Å; I125-R128 PolarHBondContact O-N 2.93Å; I125-L129 HydrophobicContact CG2-CD1 4Å; I125-L129 WeakPolarHBondContact O-CG 3.15Å; I125-L129 PolarHBondContact O-N 3.24Å
126	Y	87.8	Confident	81.6	Confident	5 Å²	5	55.4 Å²	55.4	2%	0.02	29%	0.294	C	S	.	.	H	α-helix	trans	-62.3	-41.2	-179.3	-170.3	-113.7	0	0	0	112.6	T106 L109 Q110 L113 D122 K123 M124 L129 N130 Q266 Y270 V274	T106-Y126 HydrophobicContact CG2-CD2 4.09Å; T106-Y126 HydrophobicContact CG2-CE2 3.41Å; T106-Y126 VanDerWaalsContact CG2-CE2 3.41Å; L109-Y126 HydrophobicContact CB-CD2 4.26Å; Q110-Y126 HydrophobicContact CB-CE2 4.02Å; Q110-Y126 VanDerWaalsContact CD-OH 3.24Å; Q110-Y126 VanDerWaalsContact OE1-CE1 3.3Å; Q110-Y126 PolarHBondContact OE1-OH 3.4Å; L113-Y126 HydrophobicContact CD1-CD1 4.22Å; L113-Y126 HydrophobicContact CD1-CD2 3.95Å; L113-Y126 HydrophobicContact CD1-CE2 4.45Å; L113-Y126 HydrophobicContact CD1-CG 3.85Å; D122-Y126 WeakPolarHBondContact O-CB 3.49Å; D122-Y126 PolarHBondContact O-N 3.28Å; K123-Y126 PolarHBondContact O-N 2.8Å; M124-Y126 VanDerWaalsContact C-N 3.34Å; M124-Y126 PolarHBondContact O-N 3.4Å; Y126-L129 PolarHBondContact O-N 3.02Å; Y126-N130 PolarHBondContact O-N 3.13Å; Y126-N130 VanDerWaalsContact O-N 3.16Å; Y126-N130 PolarHBondContact O-ND2 3.04Å; Y126-Q266 PolarHBondContact OH-NE2 2.89Å; Y126-Q266 VanDerWaalsContact OH-NE2 3.07Å; Y126-Y270 AromaticContact CD1-CD2 3.88Å; Y126-Y270 HydrophobicContact CD1-CD2 3.88Å; Y126-Y270 AromaticContact CD1-CE2 3.64Å; Y126-Y270 HydrophobicContact CD1-CE2 3.64Å; Y126-Y270 AromaticContact CE1-CD2 3.37Å; Y126-Y270 HydrophobicContact CE1-CD2 3.37Å; Y126-Y270 AromaticContact CE1-CE2 3.64Å; Y126-Y270 HydrophobicContact CE1-CE2 3.64Å; Y126-V274 HydrophobicContact CD1-CG2 4.3Å; Y126-V274 HydrophobicContact CE1-CG2 3.8Å
127	S	88.9	Confident	83.6	Confident	50 Å²	50	51.8 Å²	51.8	35%	0.35	27%	0.272	S	S	.	.	H	α-helix	trans	-63.2	-45.7	175.3	-178.1	0	0	0	0	112	K123 M124 I125 L129 N130 Q131 Y270	K123-S127 VanDerWaalsContact O-CB 3.29Å; K123-S127 WeakPolarHBondContact O-CB 3.34Å; K123-S127 PolarHBondContact O-N 3.33Å; M124-S127 PolarHBondContact O-N 3.29Å; I125-S127 PolarHBondContact O-N 3.2Å; S127-L129 PolarHBondContact O-N 2.71Å; S127-N130 PolarHBondContact O-N 3.31Å; S127-Q131 PolarHBondContact O-N 2.93Å; S127-Y270 WeakPolarHBondContact CB-OH 3.34Å; S127-Y270 PolarHBondContact OG-OH 3.27Å
128	R	91.6	Very high	85.4	Confident	78 Å²	78	50.4 Å²	50.4	29%	0.294	26%	0.26	S	S	.	.	H	α-helix	trans	-62	-40.5	177.4	-74.6	-175.7	67.4	-169.5	1.4	113	L69 D73 M124 I125 Q131 A132	L69-R128 HydrophobicContact CD1-CB 4.2Å; L69-R128 HydrophobicContact CD2-CB 4.21Å; D73-R128 IonicContact OD2-CZ 2.86Å; D73-R128 IonicContact OD2-NE 3.59Å; D73-R128 IonicContact OD2-NH2 3.61Å; D73-R128 PolarHBondContact OD2-NH2 3.17Å; M124-R128 WeakPolarHBondContact O-CG 3.24Å; M124-R128 PolarHBondContact O-N 3.24Å; I125-R128 PolarHBondContact O-N 2.93Å; R128-Q131 PolarHBondContact O-N 3.4Å; R128-A132 PolarHBondContact O-N 3.48Å
129	L	92	Very high	86.6	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.8	-42.4	176.2	-71.3	165.7	0	0	0	112.1	L69 V102 I105 T106 L109 I125 Y126 S127 A132 L133	L69-L129 HydrophobicContact CD2-CD2 3.46Å; L69-L129 VanDerWaalsContact CD2-CD2 3.46Å; L69-L129 HydrophobicContact CD2-CG 3.82Å; L69-L129 HydrophobicContact CG-CD2 4.23Å; V102-L129 HydrophobicContact CG1-CB 4.29Å; V102-L129 HydrophobicContact CG1-CD2 4.04Å; I105-L129 HydrophobicContact CB-CD1 4.49Å; I105-L129 HydrophobicContact CG2-CD1 3.69Å; I105-L129 HydrophobicContact CG2-CD2 4.28Å; T106-L129 WeakPolarHBondContact OG1-CB 3.37Å; L109-L129 HydrophobicContact CD1-CD1 3.42Å; L109-L129 VanDerWaalsContact CD1-CD1 3.42Å; I125-L129 HydrophobicContact CG2-CD1 4Å; I125-L129 WeakPolarHBondContact O-CG 3.15Å; I125-L129 PolarHBondContact O-N 3.24Å; Y126-L129 PolarHBondContact O-N 3.02Å; S127-L129 PolarHBondContact O-N 2.71Å; L129-A132 PolarHBondContact O-N 2.98Å; L129-L133 PolarHBondContact O-N 2.89Å; L129-L133 VanDerWaalsContact O-N 3.1Å
130	N	91.3	Very high	87.3	Confident	2 Å²	2	49 Å²	49	1%	0.011	25%	0.245	C	C	.	.	H	α-helix	trans	-68.2	-37.8	176.5	-76.2	-77.2	0	0	0	111.7	Y126 S127 A132 L133 V134 Q266 Y270	Y126-N130 PolarHBondContact O-N 3.13Å; Y126-N130 VanDerWaalsContact O-N 3.16Å; Y126-N130 PolarHBondContact O-ND2 3.04Å; S127-N130 PolarHBondContact O-N 3.31Å; N130-A132 VanDerWaalsContact C-N 3.33Å; N130-A132 PolarHBondContact O-N 3.44Å; N130-L133 PolarHBondContact O-N 3.02Å; N130-V134 WeakPolarHBondContact O-CG2 3.28Å; N130-V134 PolarHBondContact O-N 3.08Å; N130-Q266 PolarHBondContact OD1-NE2 3.39Å; N130-Y270 HydrophobicContact CB-CD1 4.07Å; N130-Y270 HydrophobicContact CB-CD2 3.95Å; N130-Y270 HydrophobicContact CB-CE1 4.32Å; N130-Y270 HydrophobicContact CB-CE2 4.25Å; N130-Y270 HydrophobicContact CB-CG 3.87Å; N130-Y270 VanDerWaalsContact CG-CD2 3.45Å; N130-Y270 WeakPolarHBondContact ND2-CD2 3.39Å; N130-Y270 WeakPolarHBondContact OD1-CB 3.46Å
131	Q	91.3	Very high	87.4	Confident	102 Å²	102	45.3 Å²	45.3	48%	0.477	22%	0.221	S	C	.	.	H	α-helix	trans	-58.5	-44.6	172.7	-179.4	59.9	31.1	0	0	111.6	S127 R128 L133 V134 E135	S127-Q131 PolarHBondContact O-N 2.93Å; R128-Q131 PolarHBondContact O-N 3.4Å; Q131-L133 VanDerWaalsContact C-N 3.34Å; Q131-L133 PolarHBondContact O-N 3.29Å; Q131-V134 PolarHBondContact O-N 3.39Å; Q131-E135 PolarHBondContact NE2-OE1 3.4Å; Q131-E135 PolarHBondContact O-N 3.46Å
132	A	92	Very high	86.6	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.008	24%	0.242	C	C	.	.	H	α-helix	trans	-61.3	-40.1	175.7	0	0	0	0	0	112.4	I72 R128 L129 N130 E135 L136	I72-A132 HydrophobicContact CG2-CB 4.03Å; R128-A132 PolarHBondContact O-N 3.48Å; L129-A132 PolarHBondContact O-N 2.98Å; N130-A132 VanDerWaalsContact C-N 3.33Å; N130-A132 PolarHBondContact O-N 3.44Å; A132-E135 PolarHBondContact O-N 3.32Å; A132-L136 WeakPolarHBondContact O-CB 3.19Å; A132-L136 WeakPolarHBondContact O-CG 3.44Å; A132-L136 PolarHBondContact O-N 3.46Å
133	L	92.6	Very high	86	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-63.8	-42.8	174.4	-71.9	175	0	0	0	112.4	T99 V102 L103 L129 N130 Q131 E135 L136 V137 A263 Q266	T99-L133 HydrophobicContact CG2-CD2 4.24Å; V102-L133 HydrophobicContact CB-CD2 3.87Å; V102-L133 HydrophobicContact CB-CG 4.34Å; V102-L133 HydrophobicContact CG1-CD1 4Å; V102-L133 HydrophobicContact CG1-CD2 3.59Å; V102-L133 HydrophobicContact CG1-CG 3.51Å; L103-L133 HydrophobicContact CD2-CD1 3.93Å; L103-L133 HydrophobicContact CD2-CD2 4.42Å; L103-L133 HydrophobicContact CG-CD2 4.26Å; L129-L133 PolarHBondContact O-N 2.89Å; L129-L133 VanDerWaalsContact O-N 3.1Å; N130-L133 PolarHBondContact O-N 3.02Å; Q131-L133 VanDerWaalsContact C-N 3.34Å; Q131-L133 PolarHBondContact O-N 3.29Å; L133-E135 VanDerWaalsContact C-N 3.32Å; L133-E135 PolarHBondContact O-N 3.06Å; L133-L136 PolarHBondContact O-N 3.26Å; L133-V137 VanDerWaalsContact O-CG2 3.32Å; L133-V137 WeakPolarHBondContact O-CG2 3.36Å; L133-V137 PolarHBondContact O-N 3.23Å; L133-A263 HydrophobicContact CD2-CB 4.36Å; L133-Q266 HydrophobicContact CD1-CB 4.2Å; L133-Q266 HydrophobicContact CD1-CG 3.61Å
134	V	90.1	Very high	85.5	Confident	62 Å²	62	51.8 Å²	51.8	38%	0.376	26%	0.256	S	S	.	.	H	α-helix	trans	-60.4	-45.2	177.2	169.9	0	0	0	0	110.4	N130 Q131 V137 N138	N130-V134 WeakPolarHBondContact O-CG2 3.28Å; N130-V134 PolarHBondContact O-N 3.08Å; Q131-V134 PolarHBondContact O-N 3.39Å; V134-V137 PolarHBondContact O-N 2.59Å; V134-N138 VanDerWaalsContact O-CG 3.24Å; V134-N138 PolarHBondContact O-N 3.34Å; V134-N138 PolarHBondContact O-ND2 2.75Å
135	E	90.3	Very high	84.6	Confident	50 Å²	50	46.8 Å²	46.8	23%	0.234	23%	0.233	C	C	.	.	H	α-helix	trans	-61.1	-46.6	175.3	-72	-178.4	-163.5	0	0	111.8	V76 Q131 A132 L133 V137 N138 Y139	V76-E135 HydrophobicContact CG1-CB 3.7Å; V76-E135 WeakPolarHBondContact CG1-OE2 3.4Å; Q131-E135 PolarHBondContact NE2-OE1 3.4Å; Q131-E135 PolarHBondContact O-N 3.46Å; A132-E135 PolarHBondContact O-N 3.32Å; L133-E135 VanDerWaalsContact C-N 3.32Å; L133-E135 PolarHBondContact O-N 3.06Å; E135-V137 VanDerWaalsContact C-N 3.32Å; E135-V137 PolarHBondContact O-N 3.5Å; E135-N138 WeakPolarHBondContact O-CB 3.25Å; E135-N138 PolarHBondContact O-N 3.09Å; E135-N138 VanDerWaalsContact O-N 3.16Å; E135-Y139 HydrophobicContact CB-CE2 4.28Å; E135-Y139 WeakPolarHBondContact O-CD2 3.48Å; E135-Y139 WeakPolarHBondContact O-CE2 3.28Å; E135-Y139 PolarHBondContact O-N 3.48Å
136	L	90.8	Very high	83.5	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-58.6	-41.9	176.1	-75.9	166.7	0	0	0	112.5	V76 I79 W95 L98 A132 L133 N138 Y139 S140	V76-L136 HydrophobicContact CG2-CD1 4.25Å; V76-L136 HydrophobicContact CG2-CD2 3.94Å; V76-L136 HydrophobicContact CG2-CG 3.88Å; I79-L136 HydrophobicContact CD1-CD2 4.03Å; W95-L136 HydrophobicContact CZ2-CB 4.4Å; W95-L136 PolarHBondContact NE1-O 2.84Å; L98-L136 HydrophobicContact CB-CD1 4.18Å; L98-L136 HydrophobicContact CB-CD2 4.49Å; L98-L136 HydrophobicContact CD1-CD2 4.4Å; A132-L136 WeakPolarHBondContact O-CB 3.19Å; A132-L136 WeakPolarHBondContact O-CG 3.44Å; A132-L136 PolarHBondContact O-N 3.46Å; L133-L136 PolarHBondContact O-N 3.26Å; L136-N138 VanDerWaalsContact C-N 3.35Å; L136-Y139 CarbonylContact O-C 3.57Å; L136-Y139 PolarHBondContact O-N 3.21Å; L136-S140 PolarHBondContact O-N 3.24Å; L136-S140 VanDerWaalsContact O-N 3.09Å
137	V	89.4	Confident	82.2	Confident	20 Å²	20	49.6 Å²	49.6	12%	0.121	25%	0.25	C	S	.	.	H	α-helix	trans	-63.4	-40.5	176.6	168.2	0	0	0	0	111.3	L133 V134 E135 Y139 S140 A263 R264	L133-V137 VanDerWaalsContact O-CG2 3.32Å; L133-V137 WeakPolarHBondContact O-CG2 3.36Å; L133-V137 PolarHBondContact O-N 3.23Å; V134-V137 PolarHBondContact O-N 2.59Å; E135-V137 VanDerWaalsContact C-N 3.32Å; E135-V137 PolarHBondContact O-N 3.5Å; V137-Y139 PolarHBondContact O-N 3.35Å; V137-S140 VanDerWaalsContact O-CB 3.31Å; V137-S140 WeakPolarHBondContact O-CB 3.42Å; V137-S140 PolarHBondContact O-N 3.45Å; V137-S140 PolarHBondContact O-OG 3.23Å; V137-A263 HydrophobicContact CG2-CB 3.55Å; V137-R264 HydrophobicContact CG1-CG 3.74Å; V137-R264 HydrophobicContact CG2-CG 4.08Å
138	N	86.8	Confident	80.6	Confident	114 Å²	114	48.6 Å²	48.6	61%	0.61	24%	0.243	S	C	*	.	H	α-helix	trans	-64.3	-23.9	177.1	-69.1	-26.4	0	0	0	113	V134 E135 L136	V134-N138 VanDerWaalsContact O-CG 3.24Å; V134-N138 PolarHBondContact O-N 3.34Å; V134-N138 PolarHBondContact O-ND2 2.75Å; E135-N138 WeakPolarHBondContact O-CB 3.25Å; E135-N138 PolarHBondContact O-N 3.09Å; E135-N138 VanDerWaalsContact O-N 3.16Å; L136-N138 VanDerWaalsContact C-N 3.35Å
139	Y	84.6	Confident	78.8	Confident	44 Å²	44	52.4 Å²	52.4	17%	0.173	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	12	174	-53.1	-61	0	0	0	113.2	K80 F91 E135 L136 V137	K80-Y139 HydrophobicContact CB-CD2 4.36Å; K80-Y139 HydrophobicContact CB-CE1 4.11Å; K80-Y139 HydrophobicContact CB-CE2 3.85Å; K80-Y139 HydrophobicContact CD-CE1 4.5Å; K80-Y139 HydrophobicContact CD-CE2 4.33Å; K80-Y139 WeakPolarHBondContact CD-OH 3.38Å; K80-Y139 WeakPolarHBondContact CE-OH 3.36Å; K80-Y139 HydrophobicContact CG-CE1 3.81Å; K80-Y139 HydrophobicContact CG-CE2 4.13Å; K80-Y139 WeakPolarHBondContact CG-OH 3.09Å; F91-Y139 WeakPolarHBondContact CZ-O 3.39Å; E135-Y139 HydrophobicContact CB-CE2 4.28Å; E135-Y139 WeakPolarHBondContact O-CD2 3.48Å; E135-Y139 WeakPolarHBondContact O-CE2 3.28Å; E135-Y139 PolarHBondContact O-N 3.48Å; L136-Y139 CarbonylContact O-C 3.57Å; L136-Y139 PolarHBondContact O-N 3.21Å; V137-Y139 PolarHBondContact O-N 3.35Å
140	S	84.3	Confident	77.2	Confident	17 Å²	17	56.7 Å²	56.7	12%	0.119	30%	0.298	C	S	.	.	S	Bend	trans	-67.1	146.4	169.3	65.8	0	0	0	0	110.1	L136 V137	L136-S140 PolarHBondContact O-N 3.24Å; L136-S140 VanDerWaalsContact O-N 3.09Å; V137-S140 VanDerWaalsContact O-CB 3.31Å; V137-S140 WeakPolarHBondContact O-CB 3.42Å; V137-S140 PolarHBondContact O-N 3.45Å; V137-S140 PolarHBondContact O-OG 3.23Å
141	R	77.1	Confident	75.7	Confident	58 Å²	58	63.4 Å²	63.4	22%	0.219	33%	0.329	C	S	.	.			trans	-76.4	139	176.5	-68	-176.5	179.2	167.2	5.7	111	Q86 F91 Y92 F143 Y256	Q86-R141 PolarHBondContact O-NH2 3.23Å; F91-R141 VanDerWaalsContact CB-NH2 3.26Å; F91-R141 HydrophobicContact CD1-CG 4.39Å; F91-R141 VanDerWaalsContact CD1-CZ 3.49Å; F91-R141 HydrophobicContact CE1-CG 3.75Å; F91-R141 HydrophobicContact CZ-CG 4.16Å; Y92-R141 WeakPolarHBondContact OH-CD 3.38Å; Y92-R141 PolarHBondContact OH-NH1 2.66Å; R141-F143 VanDerWaalsContact C-N 3.27Å; R141-F143 PolarHBondContact O-N 3.34Å; R141-Y256 PolarHBondContact N-OH 3.13Å
142	D	63	Low	74.5	Confident	154 Å²	154	65.2 Å²	65.2	82%	0.824	34%	0.339	S	S	*	.	S	Bend	trans	-64.4	-31.3	178.4	-61.9	-40.7	0	0	0	112.9
143	F	67.2	Low	73.8	Confident	173 Å²	173	67 Å²	67	76%	0.759	35%	0.349	S	S	*	.	S	Bend	trans	-97.3	119.6	175.5	-74	-91.5	0	0	0	110.9	R141	R141-F143 VanDerWaalsContact C-N 3.27Å; R141-F143 PolarHBondContact O-N 3.34Å
144	L	69.7	Low	73.3	Confident	30 Å²	30	71.8 Å²	71.8	16%	0.157	38%	0.38	C	S	.	.			trans	-70.7	129.3	174.6	-66.7	177.9	0	0	0	110.1	F146 M163 Y256 V257	L144-F146 HydrophobicContact CB-CD2 3.78Å; L144-F146 HydrophobicContact CB-CE2 3.43Å; L144-F146 VanDerWaalsContact CB-CE2 3.43Å; L144-F146 HydrophobicContact CB-CZ 4.49Å; L144-F146 HydrophobicContact CD1-CE2 3.86Å; L144-F146 HydrophobicContact CD1-CZ 4.39Å; L144-F146 HydrophobicContact CG-CE2 4.3Å; L144-F146 PolarHBondContact O-N 3.1Å; L144-F146 VanDerWaalsContact O-N 3.13Å; L144-M163 HydrophobicContact CD1-CB 4.05Å; L144-Y256 HydrophobicContact CD2-CE1 4.14Å; L144-V257 HydrophobicContact CB-CG2 4.21Å; L144-V257 HydrophobicContact CD1-CG1 4.27Å; L144-V257 HydrophobicContact CD2-CG2 4.21Å
145	P	67.3	Low	72.9	Confident	17 Å²	17	71.8 Å²	71.8	11%	0.11	38%	0.376	C	S	.	.			trans	-79.3	97.4	-178.4	33.1	-34.6	0	0	0	109.6	Y92 N253 Y256	Y92-P145 HydrophobicContact CD1-CG 3.9Å; Y92-P145 HydrophobicContact CD2-CB 4.34Å; Y92-P145 HydrophobicContact CD2-CG 4.36Å; Y92-P145 HydrophobicContact CE1-CB 4.03Å; Y92-P145 HydrophobicContact CE1-CG 3.51Å; Y92-P145 HydrophobicContact CE2-CB 3.71Å; Y92-P145 HydrophobicContact CE2-CG 4.03Å; Y92-P145 HydrophobicContact CG-CG 4.31Å; P145-N253 HydrophobicContact CB-CB 4.39Å; P145-N253 HydrophobicContact CG-CB 4.23Å; P145-N253 VanDerWaalsContact O-CB 3.26Å; P145-N253 WeakPolarHBondContact O-CB 3.22Å; P145-Y256 VanDerWaalsContact CD-CD1 3.44Å; P145-Y256 HydrophobicContact CG-CD1 3.69Å; P145-Y256 HydrophobicContact CG-CE1 4.22Å; P145-Y256 HydrophobicContact CG-CG 4.37Å
146	F	66.3	Low	72.5	Confident	20 Å²	20	70.4 Å²	70.4	9%	0.088	37%	0.369	C	S	.	.			trans	-100.5	128.8	169.5	-72.7	-92.5	0	0	0	109.1	L144 S148 Y156 L159 F213 M254 V257	L144-F146 HydrophobicContact CB-CD2 3.78Å; L144-F146 HydrophobicContact CB-CE2 3.43Å; L144-F146 VanDerWaalsContact CB-CE2 3.43Å; L144-F146 HydrophobicContact CB-CZ 4.49Å; L144-F146 HydrophobicContact CD1-CE2 3.86Å; L144-F146 HydrophobicContact CD1-CZ 4.39Å; L144-F146 HydrophobicContact CG-CE2 4.3Å; L144-F146 PolarHBondContact O-N 3.1Å; L144-F146 VanDerWaalsContact O-N 3.13Å; F146-S148 PolarHBondContact O-N 3.22Å; F146-S148 VanDerWaalsContact O-N 3.08Å; F146-Y156 HydrophobicContact CB-CD2 3.38Å; F146-Y156 HydrophobicContact CB-CE2 3.2Å; F146-Y156 HydrophobicContact CB-CG 4.29Å; F146-Y156 AromaticContact CD1-CD2 3.94Å; F146-Y156 HydrophobicContact CD1-CD2 3.94Å; F146-Y156 HydrophobicContact CD1-CE2 4.13Å; F146-Y156 AromaticContact CD2-CD2 3.86Å; F146-Y156 HydrophobicContact CD2-CD2 3.86Å; F146-Y156 AromaticContact CD2-CE2 3.2Å; F146-Y156 HydrophobicContact CD2-CE2 3.2Å; F146-Y156 AromaticContact CE2-CE2 3.99Å; F146-Y156 HydrophobicContact CE2-CE2 3.99Å; F146-Y156 AromaticContact CG-CD2 3.46Å; F146-Y156 HydrophobicContact CG-CD2 3.46Å; F146-Y156 VanDerWaalsContact CG-CD2 3.46Å; F146-Y156 AromaticContact CG-CE2 3.24Å; F146-Y156 HydrophobicContact CG-CE2 3.24Å; F146-L159 HydrophobicContact CD1-CD2 4.33Å; F146-L159 HydrophobicContact CE1-CD2 3.48Å; F146-L159 VanDerWaalsContact CE1-CD2 3.48Å; F146-L159 HydrophobicContact CE1-CG 4.07Å; F146-L159 HydrophobicContact CZ-CD2 4.04Å; F146-L159 HydrophobicContact CZ-CG 4.13Å; F146-F213 HydrophobicContact CD1-CE1 4.31Å; F146-M254 HydrophobicContact CD1-CE 3.59Å; F146-M254 HydrophobicContact CD1-SD 4.26Å; F146-M254 HydrophobicContact CE1-CE 4.06Å; F146-M254 HydrophobicContact CE1-SD 4.12Å; F146-V257 HydrophobicContact CE1-CG2 4.21Å; F146-V257 HydrophobicContact CE2-CG2 4.02Å; F146-V257 HydrophobicContact CZ-CB 4.5Å; F146-V257 HydrophobicContact CZ-CG1 3.95Å; F146-V257 HydrophobicContact CZ-CG2 3.78Å
147	P	59.6	Low	72.2	Confident	49 Å²	49	72.3 Å²	72.3	32%	0.318	38%	0.38	S	S	.	.			trans	-78.9	18.4	-170.3	31.8	-35.7	0	0	0	114.2	T149 F250 M254	P147-T149 PolarHBondContact O-N 3.32Å; P147-F250 HydrophobicContact CG-CB 4.3Å; P147-F250 HydrophobicContact CG-CD2 3.6Å; P147-F250 HydrophobicContact CG-CE2 4.43Å; P147-F250 HydrophobicContact CG-CG 4.39Å; P147-M254 HydrophobicContact CG-CE 3.9Å
148	S	56.1	Low	72.1	Confident	28 Å²	28	75 Å²	75	20%	0.196	39%	0.393	C	S	.	.			trans	-65.7	129.5	178.9	63.5	0	0	0	0	109.5	F146 N150	F146-S148 PolarHBondContact O-N 3.22Å; F146-S148 VanDerWaalsContact O-N 3.08Å; S148-N150 WeakPolarHBondContact CB-O 3.33Å; S148-N150 PolarHBondContact O-N 2.94Å; S148-N150 VanDerWaalsContact O-N 3.12Å; S148-N150 PolarHBondContact OG-O 3.46Å
149	T	52.7	Low	72.1	Confident	159 Å²	159	69.6 Å²	69.6	98%	0.975	36%	0.364	S	S	*	.	S	Bend	trans	-62.2	-12.8	168.9	36.3	0	0	0	0	112.2	P147	P147-T149 PolarHBondContact O-N 3.32Å
150	N	58.2	Low	72.2	Confident	90 Å²	90	71.3 Å²	71.3	48%	0.481	37%	0.37	S	S	.	.			trans	-125.8	109.2	176.7	-169.2	-0.8	0	0	0	110.1	S148 M152 D153	S148-N150 WeakPolarHBondContact CB-O 3.33Å; S148-N150 PolarHBondContact O-N 2.94Å; S148-N150 VanDerWaalsContact O-N 3.12Å; S148-N150 PolarHBondContact OG-O 3.46Å; N150-M152 PolarHBondContact O-N 2.89Å; N150-M152 VanDerWaalsContact O-N 3.11Å; N150-M152 WeakPolarHBondContact OD1-CB 3.38Å; N150-M152 PolarHBondContact OD1-N 3.03Å; N150-M152 VanDerWaalsContact OD1-N 3.08Å; N150-D153 PolarHBondContact O-N 2.78Å; N150-D153 VanDerWaalsContact O-N 3.15Å
151	E	61.3	Low	72.4	Confident	143 Å²	143	74.1 Å²	74.1	67%	0.668	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-13.8	174.9	-65.7	-173	159.9	0	0	112.9	Y156	E151-Y156 WeakPolarHBondContact O-CD1 3.44Å
152	M	65.2	Low	73.1	Confident	139 Å²	139	74.3 Å²	74.3	69%	0.685	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	10.9	178.7	-57	-65.2	152.2	0	0	113.5	N150 P154	N150-M152 PolarHBondContact O-N 2.89Å; N150-M152 VanDerWaalsContact O-N 3.11Å; N150-M152 WeakPolarHBondContact OD1-CB 3.38Å; N150-M152 PolarHBondContact OD1-N 3.03Å; N150-M152 VanDerWaalsContact OD1-N 3.08Å; M152-P154 VanDerWaalsContact O-CD 3.26Å; M152-P154 WeakPolarHBondContact O-CD 3.5Å
153	D	77.6	Confident	74.4	Confident	39 Å²	39	67.2 Å²	67.2	21%	0.209	35%	0.348	C	S	.	.			trans	-59.1	118.4	172.5	178.5	-4.9	0	0	0	109.9	N150 E155 Y156 V157	N150-D153 PolarHBondContact O-N 2.78Å; N150-D153 VanDerWaalsContact O-N 3.15Å; D153-E155 PolarHBondContact O-N 3.02Å; D153-E155 PolarHBondContact OD1-N 3.07Å; D153-Y156 WeakPolarHBondContact O-CB 3.05Å; D153-Y156 PolarHBondContact O-N 2.82Å; D153-Y156 VanDerWaalsContact O-N 3.09Å; D153-V157 WeakPolarHBondContact O-CG2 3.43Å; D153-V157 PolarHBondContact O-N 2.97Å
154	P	82.5	Confident	75.5	Confident	102 Å²	102	62.3 Å²	62.3	66%	0.662	33%	0.329	S	S	*	.	H	α-helix	trans	-56.9	-34.3	-178.1	-25.3	34.5	0	0	0	113.8	M152 M158	M152-P154 VanDerWaalsContact O-CD 3.26Å; M152-P154 WeakPolarHBondContact O-CD 3.5Å; P154-M158 WeakPolarHBondContact O-CB 3.35Å; P154-M158 PolarHBondContact O-N 3.46Å
155	E	81.6	Confident	76.6	Confident	61 Å²	61	66.5 Å²	66.5	29%	0.285	35%	0.348	S	S	.	.	H	α-helix	trans	-70.8	-36.9	179.1	-69.2	-177	170.1	0	0	111.5	D153 L159 F213 K216	D153-E155 PolarHBondContact O-N 3.02Å; D153-E155 PolarHBondContact OD1-N 3.07Å; E155-L159 WeakPolarHBondContact O-CB 3.25Å; E155-L159 PolarHBondContact O-N 3.42Å; E155-F213 HydrophobicContact CB-CD2 4.13Å; E155-F213 HydrophobicContact CB-CE2 4.37Å; E155-K216 IonicContact OE1-NZ 2.78Å; E155-K216 PolarHBondContact OE1-NZ 2.88Å; E155-K216 WeakPolarHBondContact OE2-CD 3.42Å; E155-K216 IonicContact OE2-NZ 3.32Å; E155-K216 PolarHBondContact OE2-NZ 3.06Å
156	Y	81.6	Confident	77.9	Confident	22 Å²	22	65.8 Å²	65.8	9%	0.086	34%	0.343	C	S	.	.	H	α-helix	trans	-65.5	-50.7	173.3	163.6	-126	0	0	0	111.2	F146 E151 D153 M158 L159 R160	F146-Y156 HydrophobicContact CB-CD2 3.38Å; F146-Y156 HydrophobicContact CB-CE2 3.2Å; F146-Y156 HydrophobicContact CB-CG 4.29Å; F146-Y156 AromaticContact CD1-CD2 3.94Å; F146-Y156 HydrophobicContact CD1-CD2 3.94Å; F146-Y156 HydrophobicContact CD1-CE2 4.13Å; F146-Y156 AromaticContact CD2-CD2 3.86Å; F146-Y156 HydrophobicContact CD2-CD2 3.86Å; F146-Y156 AromaticContact CD2-CE2 3.2Å; F146-Y156 HydrophobicContact CD2-CE2 3.2Å; F146-Y156 AromaticContact CE2-CE2 3.99Å; F146-Y156 HydrophobicContact CE2-CE2 3.99Å; F146-Y156 AromaticContact CG-CD2 3.46Å; F146-Y156 HydrophobicContact CG-CD2 3.46Å; F146-Y156 VanDerWaalsContact CG-CD2 3.46Å; F146-Y156 AromaticContact CG-CE2 3.24Å; F146-Y156 HydrophobicContact CG-CE2 3.24Å; E151-Y156 WeakPolarHBondContact O-CD1 3.44Å; D153-Y156 WeakPolarHBondContact O-CB 3.05Å; D153-Y156 PolarHBondContact O-N 2.82Å; D153-Y156 VanDerWaalsContact O-N 3.09Å; Y156-M158 VanDerWaalsContact C-N 3.28Å; Y156-M158 PolarHBondContact O-N 3.21Å; Y156-L159 PolarHBondContact O-N 2.85Å; Y156-L159 VanDerWaalsContact O-N 3.16Å; Y156-R160 HydrophobicContact CD2-CB 4.39Å; Y156-R160 HydrophobicContact CE2-CB 3.89Å; Y156-R160 HydrophobicContact CE2-CG 4.35Å; Y156-R160 WeakPolarHBondContact O-CB 3.47Å; Y156-R160 PolarHBondContact O-N 3.28Å
157	V	83.6	Confident	79	Confident	39 Å²	39	66.6 Å²	66.6	24%	0.236	35%	0.348	C	S	.	.	H	α-helix	trans	-55.8	-47	179.2	171.7	0	0	0	0	110.3	D153 L159 R160 D161	D153-V157 WeakPolarHBondContact O-CG2 3.43Å; D153-V157 PolarHBondContact O-N 2.97Å; V157-L159 PolarHBondContact O-N 3.42Å; V157-R160 PolarHBondContact O-N 3.29Å; V157-D161 WeakPolarHBondContact O-CB 3.45Å; V157-D161 PolarHBondContact O-N 2.92Å
158	M	87.3	Confident	80.6	Confident	78 Å²	78	71.2 Å²	71.2	38%	0.384	37%	0.367	S	S	.	.	H	α-helix	trans	-61.4	-43.7	178.1	-176.6	-179.2	54.1	0	0	112.8	P154 Y156 K162 Q209	P154-M158 WeakPolarHBondContact O-CB 3.35Å; P154-M158 PolarHBondContact O-N 3.46Å; Y156-M158 VanDerWaalsContact C-N 3.28Å; Y156-M158 PolarHBondContact O-N 3.21Å; M158-K162 WeakPolarHBondContact O-CG 3.47Å; M158-K162 PolarHBondContact O-N 2.94Å; M158-Q209 HydrophobicContact CE-CG 4.26Å
159	L	88	Confident	82.4	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-66.2	-43.5	177.9	176.4	58	0	0	0	111.8	F146 E155 Y156 V157 D161 K162 M163 Q209 Y210 F213	F146-L159 HydrophobicContact CD1-CD2 4.33Å; F146-L159 HydrophobicContact CE1-CD2 3.48Å; F146-L159 VanDerWaalsContact CE1-CD2 3.48Å; F146-L159 HydrophobicContact CE1-CG 4.07Å; F146-L159 HydrophobicContact CZ-CD2 4.04Å; F146-L159 HydrophobicContact CZ-CG 4.13Å; E155-L159 WeakPolarHBondContact O-CB 3.25Å; E155-L159 PolarHBondContact O-N 3.42Å; Y156-L159 PolarHBondContact O-N 2.85Å; Y156-L159 VanDerWaalsContact O-N 3.16Å; V157-L159 PolarHBondContact O-N 3.42Å; L159-D161 VanDerWaalsContact C-N 3.33Å; L159-D161 PolarHBondContact O-N 3.23Å; L159-K162 PolarHBondContact O-N 3.08Å; L159-M163 HydrophobicContact CD1-CE 4.33Å; L159-M163 HydrophobicContact CD1-CG 4.19Å; L159-M163 WeakPolarHBondContact O-CB 3.43Å; L159-M163 WeakPolarHBondContact O-CG 3.39Å; L159-M163 PolarHBondContact O-N 3.49Å; L159-Q209 HydrophobicContact CB-CG 4.42Å; L159-Q209 HydrophobicContact CD1-CB 4.31Å; L159-Q209 HydrophobicContact CD1-CG 4.08Å; L159-Y210 HydrophobicContact CD1-CD2 4.46Å; L159-Y210 HydrophobicContact CD2-CD2 4.24Å; L159-F213 HydrophobicContact CD2-CB 3.8Å; L159-F213 HydrophobicContact CD2-CD1 3.76Å; L159-F213 HydrophobicContact CD2-CD2 4.23Å; L159-F213 HydrophobicContact CD2-CE1 4.46Å; L159-F213 HydrophobicContact CD2-CG 3.65Å
160	R	87.1	Confident	84.3	Confident	80 Å²	80	64.1 Å²	64.1	30%	0.302	32%	0.324	S	S	.	.	H	α-helix	trans	-59	-46.2	176.8	-176.6	-166	67.6	-165.2	-2.8	110.9	Y156 V157 M163 N164	Y156-R160 HydrophobicContact CD2-CB 4.39Å; Y156-R160 HydrophobicContact CE2-CB 3.89Å; Y156-R160 HydrophobicContact CE2-CG 4.35Å; Y156-R160 WeakPolarHBondContact O-CB 3.47Å; Y156-R160 PolarHBondContact O-N 3.28Å; V157-R160 PolarHBondContact O-N 3.29Å; R160-M163 PolarHBondContact O-N 2.99Å; R160-N164 WeakPolarHBondContact O-CB 3.49Å; R160-N164 VanDerWaalsContact O-CG 3.29Å; R160-N164 PolarHBondContact O-N 3.29Å; R160-N164 PolarHBondContact O-ND2 3.49Å
161	D	88.6	Confident	85.9	Confident	76 Å²	76	64.1 Å²	64.1	41%	0.406	32%	0.321	S	S	.	.	H	α-helix	trans	-68	-40.6	-177.9	-64.4	-8.5	0	0	0	110.9	V157 L159 N164 Q165	V157-D161 WeakPolarHBondContact O-CB 3.45Å; V157-D161 PolarHBondContact O-N 2.92Å; L159-D161 VanDerWaalsContact C-N 3.33Å; L159-D161 PolarHBondContact O-N 3.23Å; D161-N164 PolarHBondContact O-N 3.29Å; D161-Q165 WeakPolarHBondContact O-CB 3.23Å; D161-Q165 PolarHBondContact O-N 2.81Å
162	K	90.6	Very high	87.4	Confident	62 Å²	62	58.9 Å²	58.9	27%	0.27	31%	0.306	S	S	.	.	H	α-helix	trans	-62	-42.1	171.5	-78.6	-172.3	179.5	-179.5	0	112.8	M158 L159 Q165 T166 Q209	M158-K162 WeakPolarHBondContact O-CG 3.47Å; M158-K162 PolarHBondContact O-N 2.94Å; L159-K162 PolarHBondContact O-N 3.08Å; K162-Q165 PolarHBondContact O-N 3.47Å; K162-T166 WeakPolarHBondContact O-CB 3.42Å; K162-T166 PolarHBondContact O-N 2.84Å; K162-T166 PolarHBondContact O-OG1 3.25Å; K162-Q209 HydrophobicContact CD-CB 3.92Å; K162-Q209 HydrophobicContact CD-CG 4Å; K162-Q209 VanDerWaalsContact NZ-OE1 3.09Å
163	M	90.4	Very high	88.6	Confident	4 Å²	4	52.8 Å²	52.8	2%	0.02	28%	0.276	C	S	.	.	H	α-helix	trans	-63.2	-45.7	175.9	-79.9	-70.5	-179.7	0	0	111.2	L144 L159 R160 Q165 T166 M167 Y210 V257	L144-M163 HydrophobicContact CD1-CB 4.05Å; L159-M163 HydrophobicContact CD1-CE 4.33Å; L159-M163 HydrophobicContact CD1-CG 4.19Å; L159-M163 WeakPolarHBondContact O-CB 3.43Å; L159-M163 WeakPolarHBondContact O-CG 3.39Å; L159-M163 PolarHBondContact O-N 3.49Å; R160-M163 PolarHBondContact O-N 2.99Å; M163-Q165 PolarHBondContact O-N 3.46Å; M163-T166 PolarHBondContact O-N 3.47Å; M163-M167 WeakPolarHBondContact O-CB 3.41Å; M163-M167 WeakPolarHBondContact O-CG 3.31Å; M163-M167 PolarHBondContact O-N 2.97Å; M163-Y210 HydrophobicContact CE-CD2 3.71Å; M163-Y210 HydrophobicContact CE-CG 4.07Å; M163-V257 HydrophobicContact CE-CG1 3.91Å; M163-V257 HydrophobicContact CG-CG1 4.46Å; M163-V257 HydrophobicContact SD-CG1 4.23Å
164	N	89.6	Confident	89.1	Confident	71 Å²	71	53.1 Å²	53.1	38%	0.38	27%	0.274	S	S	.	.	H	α-helix	trans	-60.7	-45.9	176.2	-74.4	-22	0	0	0	111.5	R160 D161 T166 M167 M168	R160-N164 WeakPolarHBondContact O-CB 3.49Å; R160-N164 VanDerWaalsContact O-CG 3.29Å; R160-N164 PolarHBondContact O-N 3.29Å; R160-N164 PolarHBondContact O-ND2 3.49Å; D161-N164 PolarHBondContact O-N 3.29Å; N164-T166 VanDerWaalsContact C-N 3.33Å; N164-T166 PolarHBondContact O-N 2.83Å; N164-M167 PolarHBondContact O-N 3.32Å; N164-M168 WeakPolarHBondContact O-CG 3.15Å; N164-M168 PolarHBondContact O-N 2.98Å
165	Q	92.8	Very high	89.4	Confident	117 Å²	117	56.6 Å²	56.6	55%	0.547	27%	0.274	S	S	.	.	H	α-helix	trans	-58.1	-45.6	175.4	-175.5	-178.4	10.7	0	0	111.6	D161 K162 M163 M167 M168 S169	D161-Q165 WeakPolarHBondContact O-CB 3.23Å; D161-Q165 PolarHBondContact O-N 2.81Å; K162-Q165 PolarHBondContact O-N 3.47Å; M163-Q165 PolarHBondContact O-N 3.46Å; Q165-M167 VanDerWaalsContact C-N 3.33Å; Q165-M167 PolarHBondContact O-N 3.28Å; Q165-M168 PolarHBondContact O-N 3.46Å; Q165-S169 WeakPolarHBondContact O-CB 3.19Å; Q165-S169 PolarHBondContact O-N 2.81Å; Q165-S169 PolarHBondContact O-OG 3.42Å
166	T	94.7	Very high	89.6	Confident	2 Å²	2	57 Å²	57	1%	0.012	28%	0.276	C	S	.	.	H	α-helix	trans	-60.8	-43.3	178.4	-58.3	0	0	0	0	111.3	K162 M163 N164 S169 L170 F198 I202 L203 C206 L261	K162-T166 WeakPolarHBondContact O-CB 3.42Å; K162-T166 PolarHBondContact O-N 2.84Å; K162-T166 PolarHBondContact O-OG1 3.25Å; M163-T166 PolarHBondContact O-N 3.47Å; N164-T166 VanDerWaalsContact C-N 3.33Å; N164-T166 PolarHBondContact O-N 2.83Å; T166-S169 PolarHBondContact O-N 3.45Å; T166-L170 WeakPolarHBondContact O-CB 3.38Å; T166-L170 PolarHBondContact O-N 2.83Å; T166-F198 HydrophobicContact CG2-CE2 4.2Å; T166-F198 HydrophobicContact CG2-CZ 4.06Å; T166-I202 HydrophobicContact CG2-CG2 4.29Å; T166-L203 HydrophobicContact CG2-CD1 4.04Å; T166-C206 WeakPolarHBondContact OG1-CB 3.34Å; T166-C206 PolarHBondContact OG1-SG 2.85Å; T166-L261 HydrophobicContact CG2-CD1 4.24Å
167	M	91	Very high	89.8	Confident	37 Å²	37	56 Å²	56	18%	0.182	27%	0.272	C	S	.	.	H	α-helix	trans	-67.7	-38.9	178.6	-66.7	-75	-84.7	0	0	112.4	M163 N164 Q165 H171 V260 L261 R264	M163-M167 WeakPolarHBondContact O-CB 3.41Å; M163-M167 WeakPolarHBondContact O-CG 3.31Å; M163-M167 PolarHBondContact O-N 2.97Å; N164-M167 PolarHBondContact O-N 3.32Å; Q165-M167 VanDerWaalsContact C-N 3.33Å; Q165-M167 PolarHBondContact O-N 3.28Å; M167-H171 WeakPolarHBondContact O-CB 3.32Å; M167-H171 PolarHBondContact O-N 3.37Å; M167-V260 HydrophobicContact CE-CG1 3.4Å; M167-V260 HydrophobicContact SD-CG1 4.49Å; M167-L261 HydrophobicContact SD-CD1 4.22Å; M167-R264 VanDerWaalsContact CE-CD 3.43Å; M167-R264 VanDerWaalsContact CE-NE 3.26Å
168	M	92.3	Very high	89.7	Confident	146 Å²	146	59.1 Å²	59.1	72%	0.719	29%	0.288	S	S	*	.	H	α-helix	trans	-64.7	-43.9	174	-72.2	-171.8	78.1	0	0	111.8	N164 Q165 H171 G172	N164-M168 WeakPolarHBondContact O-CG 3.15Å; N164-M168 PolarHBondContact O-N 2.98Å; Q165-M168 PolarHBondContact O-N 3.46Å; M168-H171 PolarHBondContact O-N 3.3Å; M168-G172 PolarHBondContact O-N 3.23Å
169	S	94.2	Very high	89.2	Confident	37 Å²	37	57.5 Å²	57.5	26%	0.259	28%	0.284	S	S	.	.	H	α-helix	trans	-64.4	-42.2	176.7	-65.2	0	0	0	0	112.1	Q165 T166 H171 G172 L173	Q165-S169 WeakPolarHBondContact O-CB 3.19Å; Q165-S169 PolarHBondContact O-N 2.81Å; Q165-S169 PolarHBondContact O-OG 3.42Å; T166-S169 PolarHBondContact O-N 3.45Å; S169-H171 VanDerWaalsContact C-N 3.33Å; S169-H171 PolarHBondContact O-N 3.2Å; S169-G172 WeakPolarHBondContact O-CA 3.09Å; S169-G172 PolarHBondContact O-N 2.94Å; S169-G172 VanDerWaalsContact O-N 3.11Å; S169-L173 PolarHBondContact O-N 3.4Å
170	L	93	Very high	88	Confident	2 Å²	2	61.4 Å²	61.4	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-60.7	-42.9	174.1	-179.2	59.6	0	0	0	111.5	T166 G172 L173 Y174 F198 R264 L265 F268	T166-L170 WeakPolarHBondContact O-CB 3.38Å; T166-L170 PolarHBondContact O-N 2.83Å; L170-G172 VanDerWaalsContact C-N 3.29Å; L170-G172 PolarHBondContact O-N 3.46Å; L170-L173 WeakPolarHBondContact O-CB 3.29Å; L170-L173 PolarHBondContact O-N 2.92Å; L170-L173 VanDerWaalsContact O-N 3.15Å; L170-Y174 HydrophobicContact CD1-CD2 4.37Å; L170-Y174 HydrophobicContact CD1-CE2 4.26Å; L170-Y174 HydrophobicContact CG-CD2 4.22Å; L170-Y174 HydrophobicContact CG-CE2 4.13Å; L170-Y174 WeakPolarHBondContact O-CD2 3.1Å; L170-Y174 PolarHBondContact O-N 3.13Å; L170-F198 HydrophobicContact CB-CE2 4.15Å; L170-F198 HydrophobicContact CB-CZ 3.9Å; L170-F198 HydrophobicContact CD1-CE1 4.31Å; L170-F198 HydrophobicContact CD1-CZ 4.26Å; L170-R264 HydrophobicContact CD2-CB 3.83Å; L170-L265 HydrophobicContact CD1-CD2 3.95Å; L170-L265 HydrophobicContact CD2-CD2 4.13Å; L170-L265 HydrophobicContact CD2-CG 4.32Å; L170-F268 HydrophobicContact CD1-CD1 4.43Å; L170-F268 HydrophobicContact CD1-CG 4.32Å
171	H	91.4	Very high	86.7	Confident	89 Å²	89	64.3 Å²	64.3	41%	0.412	34%	0.335	S	S	.	.	H	α-helix	trans	-62.7	-36.2	174.3	-174.3	66.7	0	0	0	112.5	M167 M168 S169 L173 Y174 R175	M167-H171 WeakPolarHBondContact O-CB 3.32Å; M167-H171 PolarHBondContact O-N 3.37Å; M168-H171 PolarHBondContact O-N 3.3Å; S169-H171 VanDerWaalsContact C-N 3.33Å; S169-H171 PolarHBondContact O-N 3.2Å; H171-L173 VanDerWaalsContact C-N 3.35Å; H171-Y174 WeakPolarHBondContact O-CB 3.47Å; H171-Y174 PolarHBondContact O-N 3.32Å; H171-R175 PolarHBondContact NE2-NE 3.41Å; H171-R175 PolarHBondContact O-N 3.27Å
172	G	91.5	Very high	85.8	Confident	34 Å²	34	62.6 Å²	62.6	35%	0.351	32%	0.323	S	S	.	.	H	α-helix	trans	-57	-45.9	170.2	0	0	0	0	0	112.3	M168 S169 L170 Y174 R175 Q176	M168-G172 PolarHBondContact O-N 3.23Å; S169-G172 WeakPolarHBondContact O-CA 3.09Å; S169-G172 PolarHBondContact O-N 2.94Å; S169-G172 VanDerWaalsContact O-N 3.11Å; L170-G172 VanDerWaalsContact C-N 3.29Å; L170-G172 PolarHBondContact O-N 3.46Å; G172-Y174 PolarHBondContact O-N 3.5Å; G172-R175 WeakPolarHBondContact O-CB 3.3Å; G172-R175 PolarHBondContact O-N 3.22Å; G172-Q176 PolarHBondContact O-N 2.88Å
173	L	91.1	Very high	84.8	Confident	11 Å²	11	67.7 Å²	67.7	6%	0.058	35%	0.348	C	S	.	.	H	α-helix	trans	-62.5	-41.2	175.5	-67.4	173.8	0	0	0	112.4	S169 L170 H171 R175 Q176 M177 F191 L195 F198 F268	S169-L173 PolarHBondContact O-N 3.4Å; L170-L173 WeakPolarHBondContact O-CB 3.29Å; L170-L173 PolarHBondContact O-N 2.92Å; L170-L173 VanDerWaalsContact O-N 3.15Å; H171-L173 VanDerWaalsContact C-N 3.35Å; L173-R175 VanDerWaalsContact C-N 3.33Å; L173-R175 PolarHBondContact O-N 2.78Å; L173-Q176 PolarHBondContact O-N 3.21Å; L173-M177 VanDerWaalsContact O-CB 3.28Å; L173-M177 WeakPolarHBondContact O-CB 3.28Å; L173-M177 PolarHBondContact O-N 3.47Å; L173-F191 HydrophobicContact CD2-CE2 4.16Å; L173-L195 HydrophobicContact CD1-CD1 3.93Å; L173-F198 HydrophobicContact CD1-CB 3.74Å; L173-F198 HydrophobicContact CD1-CD1 3.73Å; L173-F198 HydrophobicContact CD1-CD2 3.97Å; L173-F198 HydrophobicContact CD1-CE1 4.36Å; L173-F198 HydrophobicContact CD1-CG 3.51Å; L173-F268 HydrophobicContact CB-CE2 4.19Å; L173-F268 HydrophobicContact CB-CZ 4.06Å
174	Y	88.9	Confident	84.3	Confident	46 Å²	46	70.5 Å²	70.5	18%	0.18	37%	0.365	C	S	.	.	H	α-helix	trans	-60.1	-41.5	173.2	-91.1	-82.9	0	0	0	112.5	L170 H171 G172 M177 N178 R264 G267 F268	L170-Y174 HydrophobicContact CD1-CD2 4.37Å; L170-Y174 HydrophobicContact CD1-CE2 4.26Å; L170-Y174 HydrophobicContact CG-CD2 4.22Å; L170-Y174 HydrophobicContact CG-CE2 4.13Å; L170-Y174 WeakPolarHBondContact O-CD2 3.1Å; L170-Y174 PolarHBondContact O-N 3.13Å; H171-Y174 WeakPolarHBondContact O-CB 3.47Å; H171-Y174 PolarHBondContact O-N 3.32Å; G172-Y174 PolarHBondContact O-N 3.5Å; Y174-M177 HydrophobicContact CD1-CE 3.78Å; Y174-M177 HydrophobicContact CE1-CE 4.31Å; Y174-M177 PolarHBondContact O-N 3.37Å; Y174-N178 PolarHBondContact O-N 3.05Å; Y174-N178 VanDerWaalsContact O-N 3.11Å; Y174-N178 PolarHBondContact O-ND2 3.22Å; Y174-R264 PolarHBondContact OH-O 3.21Å; Y174-G267 VanDerWaalsContact OH-C 3.22Å; Y174-F268 AromaticContact CD1-CD2 3.86Å; Y174-F268 HydrophobicContact CD1-CD2 3.86Å; Y174-F268 AromaticContact CD2-CD2 3.73Å; Y174-F268 HydrophobicContact CD2-CD2 3.73Å; Y174-F268 HydrophobicContact CD2-CE2 4.41Å; Y174-F268 HydrophobicContact CD2-CG 4.44Å; Y174-F268 HydrophobicContact CE1-CB 4.13Å; Y174-F268 AromaticContact CE1-CD2 3.8Å; Y174-F268 HydrophobicContact CE1-CD2 3.8Å; Y174-F268 HydrophobicContact CE1-CG 4.47Å; Y174-F268 HydrophobicContact CE2-CB 3.62Å; Y174-F268 AromaticContact CE2-CD2 3.67Å; Y174-F268 HydrophobicContact CE2-CD2 3.67Å; Y174-F268 AromaticContact CE2-CG 3.99Å; Y174-F268 HydrophobicContact CE2-CG 3.99Å; Y174-F268 AromaticContact CG-CD2 3.85Å; Y174-F268 HydrophobicContact CG-CD2 3.85Å; Y174-F268 HydrophobicContact CG-CE2 4.35Å; Y174-F268 VanDerWaalsContact CZ-CA 3.5Å; Y174-F268 VanDerWaalsContact CZ-CB 3.43Å; Y174-F268 AromaticContact CZ-CD2 3.74Å; Y174-F268 WeakPolarHBondContact OH-CA 3.2Å; Y174-F268 WeakPolarHBondContact OH-CB 3.25Å; Y174-F268 PolarHBondContact OH-N 3.15Å
175	R	88.4	Confident	83.9	Confident	174 Å²	174	72.3 Å²	72.3	66%	0.657	38%	0.381	S	S	*	.	H	α-helix	trans	-65.7	-44.4	176.5	-76.2	-176.5	171.1	-176.7	-0.3	111.7	H171 G172 L173 M177 N178 S179	H171-R175 PolarHBondContact NE2-NE 3.41Å; H171-R175 PolarHBondContact O-N 3.27Å; G172-R175 WeakPolarHBondContact O-CB 3.3Å; G172-R175 PolarHBondContact O-N 3.22Å; L173-R175 VanDerWaalsContact C-N 3.33Å; L173-R175 PolarHBondContact O-N 2.78Å; R175-M177 VanDerWaalsContact C-N 3.35Å; R175-N178 PolarHBondContact O-N 2.88Å; R175-S179 PolarHBondContact O-N 3.13Å; R175-S179 VanDerWaalsContact O-N 3.13Å
176	Q	86.1	Confident	83.4	Confident	71 Å²	71	72.3 Å²	72.3	33%	0.332	39%	0.385	S	S	.	.	H	α-helix	trans	-60.6	-47.2	176.6	-164.9	-179.5	2.2	0	0	110.2	G172 L173 N178 S179 Y182 F191	G172-Q176 PolarHBondContact O-N 2.88Å; L173-Q176 PolarHBondContact O-N 3.21Å; Q176-N178 PolarHBondContact O-N 3.34Å; Q176-S179 VanDerWaalsContact O-CB 3.31Å; Q176-S179 WeakPolarHBondContact O-CB 3.38Å; Q176-S179 PolarHBondContact O-N 3.25Å; Q176-S179 PolarHBondContact O-OG 2.99Å; Q176-Y182 WeakPolarHBondContact O-CE2 3.45Å; Q176-Y182 PolarHBondContact O-OH 3.29Å; Q176-Y182 VanDerWaalsContact O-OH 3.07Å; Q176-F191 HydrophobicContact CB-CE2 4.27Å; Q176-F191 HydrophobicContact CG-CD2 4.2Å; Q176-F191 HydrophobicContact CG-CE2 4.33Å
177	M	84.9	Confident	82.8	Confident	1 Å²	1	74.9 Å²	74.9	1%	0.005	40%	0.398	C	S	.	.	H	α-helix	trans	-54.3	-36.5	175.5	-172.5	-167.5	59.8	0	0	112.5	L173 Y174 R175 Y182 F191 F268 D271 L272 K276 F278	L173-M177 VanDerWaalsContact O-CB 3.28Å; L173-M177 WeakPolarHBondContact O-CB 3.28Å; L173-M177 PolarHBondContact O-N 3.47Å; Y174-M177 HydrophobicContact CD1-CE 3.78Å; Y174-M177 HydrophobicContact CE1-CE 4.31Å; Y174-M177 PolarHBondContact O-N 3.37Å; R175-M177 VanDerWaalsContact C-N 3.35Å; M177-Y182 VanDerWaalsContact CA-OH 3.25Å; M177-Y182 WeakPolarHBondContact CA-OH 3.34Å; M177-Y182 PolarHBondContact N-OH 3.3Å; M177-Y182 WeakPolarHBondContact O-CE2 3.38Å; M177-F191 HydrophobicContact CB-CZ 4.11Å; M177-F268 HydrophobicContact CB-CE2 4.46Å; M177-F268 HydrophobicContact SD-CD2 4.3Å; M177-F268 HydrophobicContact SD-CE2 3.97Å; M177-D271 HydrophobicContact CE-CB 3.77Å; M177-D271 HydrophobicContact SD-CB 4.02Å; M177-L272 HydrophobicContact CG-CD2 3.86Å; M177-L272 HydrophobicContact SD-CD2 3.51Å; M177-L272 VanDerWaalsContact SD-CD2 3.51Å; M177-L272 HydrophobicContact SD-CG 3.82Å; M177-K276 HydrophobicContact CG-CD 3.9Å; M177-K276 PolarHBondContact O-NZ 3.46Å; M177-K276 HydrophobicContact SD-CD 4.17Å; M177-F278 HydrophobicContact CG-CD2 4.4Å; M177-F278 HydrophobicContact CG-CE2 3.68Å
178	N	81.3	Confident	82.5	Confident	104 Å²	104	74.7 Å²	74.7	56%	0.556	40%	0.399	S	S	*	.	H	α-helix	trans	-86.6	-4.7	179.7	-71.9	-30.3	0	0	0	114.4	Y174 R175 Q176 K276	Y174-N178 PolarHBondContact O-N 3.05Å; Y174-N178 VanDerWaalsContact O-N 3.11Å; Y174-N178 PolarHBondContact O-ND2 3.22Å; R175-N178 PolarHBondContact O-N 2.88Å; Q176-N178 PolarHBondContact O-N 3.34Å; N178-K276 WeakPolarHBondContact OD1-CE 3.35Å; N178-K276 PolarHBondContact OD1-NZ 2.9Å
179	S	77.4	Confident	82.1	Confident	43 Å²	43	71.6 Å²	71.6	30%	0.301	38%	0.383	S	S	.	.	S	Bend	trans	-77.2	154.4	174.1	77.3	0	0	0	0	111.6	R175 Q176 M181	R175-S179 PolarHBondContact O-N 3.13Å; R175-S179 VanDerWaalsContact O-N 3.13Å; Q176-S179 VanDerWaalsContact O-CB 3.31Å; Q176-S179 WeakPolarHBondContact O-CB 3.38Å; Q176-S179 PolarHBondContact O-N 3.25Å; Q176-S179 PolarHBondContact O-OG 2.99Å; S179-M181 PolarHBondContact O-N 2.98Å
180	A	61.8	Low	81.8	Confident	83 Å²	83	73.9 Å²	73.9	69%	0.686	39%	0.392	S	S	*	.	S	Bend	trans	-75.3	19.6	-177.2	0	0	0	0	0	114.5	Q183	A180-Q183 PolarHBondContact O-NE2 2.89Å
181	M	61.3	Low	81.6	Confident	141 Å²	141	73.9 Å²	73.9	70%	0.695	39%	0.392	S	S	*	.			trans	-87.4	1.5	-167.7	-64.5	-154.2	117	0	0	115.5	S179 Q183 D187	S179-M181 PolarHBondContact O-N 2.98Å; M181-Q183 PolarHBondContact O-N 3.11Å; M181-D187 WeakPolarHBondContact O-CB 3.11Å; M181-D187 VanDerWaalsContact O-OD2 3.12Å
182	Y	69.9	Low	81.5	Confident	40 Å²	40	72.8 Å²	72.8	16%	0.157	38%	0.384	C	S	.	.			trans	-98.5	50.6	-173.8	-56.6	-73.6	0	0	0	113.3	Q176 M177 V188 F191 F278	Q176-Y182 WeakPolarHBondContact O-CE2 3.45Å; Q176-Y182 PolarHBondContact O-OH 3.29Å; Q176-Y182 VanDerWaalsContact O-OH 3.07Å; M177-Y182 VanDerWaalsContact CA-OH 3.25Å; M177-Y182 WeakPolarHBondContact CA-OH 3.34Å; M177-Y182 PolarHBondContact N-OH 3.3Å; M177-Y182 WeakPolarHBondContact O-CE2 3.38Å; Y182-V188 HydrophobicContact CD1-CG2 4.34Å; Y182-F191 HydrophobicContact CE1-CB 3.63Å; Y182-F191 HydrophobicContact CE1-CD1 4.03Å; Y182-F191 HydrophobicContact CE1-CD2 4.13Å; Y182-F191 AromaticContact CE1-CG 3.66Å; Y182-F191 HydrophobicContact CE1-CG 3.66Å; Y182-F191 WeakPolarHBondContact OH-CD2 3.41Å; Y182-F191 VanDerWaalsContact OH-CE2 3.26Å; Y182-F191 WeakPolarHBondContact OH-CE2 3.44Å; Y182-F191 WeakPolarHBondContact OH-CG 3.27Å; Y182-F278 HydrophobicContact CD2-CE1 4.43Å; Y182-F278 AromaticContact CD2-CE2 3.96Å; Y182-F278 HydrophobicContact CD2-CE2 3.96Å; Y182-F278 AromaticContact CD2-CZ 3.58Å; Y182-F278 HydrophobicContact CD2-CZ 3.58Å; Y182-F278 AromaticContact CE2-CE2 3.98Å; Y182-F278 HydrophobicContact CE2-CE2 3.98Å; Y182-F278 HydrophobicContact CE2-CZ 4.02Å; Y182-F278 HydrophobicContact CG-CE1 4.42Å; Y182-F278 HydrophobicContact CG-CE2 4.23Å; Y182-F278 AromaticContact CG-CZ 3.9Å; Y182-F278 HydrophobicContact CG-CZ 3.9Å
183	Q	68.2	Low	81.4	Confident	169 Å²	169	74.8 Å²	74.8	79%	0.79	39%	0.386	S	S	*	.	S	Bend	trans	-91.9	-23.8	-176.7	-63.4	-177.4	17.5	0	0	112.4	A180 M181	A180-Q183 PolarHBondContact O-NE2 2.89Å; M181-Q183 PolarHBondContact O-N 3.11Å
184	T	79.6	Confident	81.3	Confident	62 Å²	62	79 Å²	79	38%	0.38	41%	0.406	S	S	.	.	S	Bend	trans	-114.5	154.3	178.4	74.4	0	0	0	0	112.4	D186 D187 V188	T184-D186 PolarHBondContact O-N 2.86Å; T184-D187 WeakPolarHBondContact CB-OD2 3.27Å; T184-D187 PolarHBondContact N-OD2 3.37Å; T184-D187 VanDerWaalsContact N-OD2 3.08Å; T184-D187 WeakPolarHBondContact O-CB 3.27Å; T184-D187 PolarHBondContact O-N 2.73Å; T184-D187 PolarHBondContact OG1-N 3.07Å; T184-D187 PolarHBondContact OG1-OD2 3.36Å; T184-V188 PolarHBondContact O-N 2.76Å
185	P	81	Confident	81.5	Confident	109 Å²	109	77 Å²	77	71%	0.708	40%	0.398	S	S	*	.	H	α-helix	trans	-57.7	-32.6	172	-25.3	35.3	0	0	0	113.5	V188 E189	P185-V188 PolarHBondContact O-N 3.5Å; P185-E189 PolarHBondContact O-N 3.19Å
186	D	82.3	Confident	81.6	Confident	118 Å²	118	73.2 Å²	73.2	63%	0.631	39%	0.388	S	S	*	.	H	α-helix	trans	-67.5	-35.5	178.2	-66.1	-24.7	0	0	0	111.6	T184 V188 E189 N190	T184-D186 PolarHBondContact O-N 2.86Å; D186-V188 VanDerWaalsContact C-N 3.33Å; D186-V188 PolarHBondContact O-N 3.33Å; D186-E189 PolarHBondContact O-N 2.85Å; D186-N190 WeakPolarHBondContact O-CB 3.27Å; D186-N190 VanDerWaalsContact O-CG 3.24Å; D186-N190 PolarHBondContact O-N 3.5Å; D186-N190 PolarHBondContact O-ND2 2.77Å
187	D	83.6	Confident	81.9	Confident	56 Å²	56	72.8 Å²	72.8	30%	0.299	39%	0.39	S	S	.	.	H	α-helix	trans	-64.9	-38.7	174.9	-59.6	-44.1	0	0	0	111.8	M181 T184 F191	M181-D187 WeakPolarHBondContact O-CB 3.11Å; M181-D187 VanDerWaalsContact O-OD2 3.12Å; T184-D187 WeakPolarHBondContact CB-OD2 3.27Å; T184-D187 PolarHBondContact N-OD2 3.37Å; T184-D187 VanDerWaalsContact N-OD2 3.08Å; T184-D187 WeakPolarHBondContact O-CB 3.27Å; T184-D187 PolarHBondContact O-N 2.73Å; T184-D187 PolarHBondContact OG1-N 3.07Å; T184-D187 PolarHBondContact OG1-OD2 3.36Å; D187-F191 WeakPolarHBondContact O-CB 3.44Å; D187-F191 PolarHBondContact O-N 3.02Å
188	V	83.4	Confident	82.4	Confident	32 Å²	32	73 Å²	73	19%	0.194	39%	0.39	C	S	.	.	H	α-helix	trans	-68.2	-41.5	177.4	177.2	0	0	0	0	110.8	Y182 T184 P185 D186 F191 R192 F279	Y182-V188 HydrophobicContact CD1-CG2 4.34Å; T184-V188 PolarHBondContact O-N 2.76Å; P185-V188 PolarHBondContact O-N 3.5Å; D186-V188 VanDerWaalsContact C-N 3.33Å; D186-V188 PolarHBondContact O-N 3.33Å; V188-F191 PolarHBondContact O-N 3.09Å; V188-R192 PolarHBondContact O-N 3.46Å; V188-F279 HydrophobicContact CG1-CD1 4.09Å; V188-F279 HydrophobicContact CG1-CE1 3.48Å; V188-F279 VanDerWaalsContact CG1-CE1 3.48Å; V188-F279 HydrophobicContact CG1-CZ 3.97Å
189	E	85.5	Confident	83	Confident	82 Å²	82	68.2 Å²	68.2	38%	0.383	37%	0.366	S	S	.	.	H	α-helix	trans	-69	-41.1	177.2	-176.6	57.8	-164.1	0	0	112.1	P185 D186 F191 R192 I193	P185-E189 PolarHBondContact O-N 3.19Å; D186-E189 PolarHBondContact O-N 2.85Å; E189-F191 VanDerWaalsContact C-N 3.29Å; E189-F191 PolarHBondContact O-N 3.4Å; E189-R192 VanDerWaalsContact O-CB 3.29Å; E189-R192 WeakPolarHBondContact O-CB 3.25Å; E189-R192 PolarHBondContact O-N 3.43Å; E189-R192 VanDerWaalsContact O-N 3.12Å; E189-R192 IonicContact OE1-CZ 3.27Å; E189-R192 IonicContact OE1-NE 2.58Å; E189-R192 PolarHBondContact OE1-NE 3.48Å; E189-R192 IonicContact OE1-NH2 3.49Å; E189-R192 PolarHBondContact OE1-NH2 3.2Å; E189-R192 WeakPolarHBondContact OE2-CD 3.49Å; E189-R192 IonicContact OE2-CZ 3.21Å; E189-R192 IonicContact OE2-NE 3.69Å; E189-R192 PolarHBondContact OE2-NE 2.88Å; E189-I193 WeakPolarHBondContact O-CG1 3.37Å; E189-I193 PolarHBondContact O-N 3.49Å
190	N	86.7	Confident	83.8	Confident	85 Å²	85	70.5 Å²	70.5	46%	0.455	38%	0.375	S	S	.	.	H	α-helix	trans	-59.1	-42.2	172.6	-77.9	-38.7	0	0	0	111.3	D186 I193 H194	D186-N190 WeakPolarHBondContact O-CB 3.27Å; D186-N190 VanDerWaalsContact O-CG 3.24Å; D186-N190 PolarHBondContact O-N 3.5Å; D186-N190 PolarHBondContact O-ND2 2.77Å; N190-I193 PolarHBondContact O-N 2.88Å; N190-H194 PolarHBondContact O-N 3.08Å; N190-H194 VanDerWaalsContact O-N 3.07Å; N190-H194 PolarHBondContact O-ND1 3.07Å
191	F	89	Confident	85.3	Confident	2 Å²	2	71.9 Å²	71.9	1%	0.009	37%	0.371	C	S	.	.	H	α-helix	trans	-66.5	-35.7	175.2	179.1	-109	0	0	0	113	L173 Q176 M177 Y182 D187 V188 E189 I193 H194 L195 F268 L272 F279	L173-F191 HydrophobicContact CD2-CE2 4.16Å; Q176-F191 HydrophobicContact CB-CE2 4.27Å; Q176-F191 HydrophobicContact CG-CD2 4.2Å; Q176-F191 HydrophobicContact CG-CE2 4.33Å; M177-F191 HydrophobicContact CB-CZ 4.11Å; Y182-F191 HydrophobicContact CE1-CB 3.63Å; Y182-F191 HydrophobicContact CE1-CD1 4.03Å; Y182-F191 HydrophobicContact CE1-CD2 4.13Å; Y182-F191 AromaticContact CE1-CG 3.66Å; Y182-F191 HydrophobicContact CE1-CG 3.66Å; Y182-F191 WeakPolarHBondContact OH-CD2 3.41Å; Y182-F191 VanDerWaalsContact OH-CE2 3.26Å; Y182-F191 WeakPolarHBondContact OH-CE2 3.44Å; Y182-F191 WeakPolarHBondContact OH-CG 3.27Å; D187-F191 WeakPolarHBondContact O-CB 3.44Å; D187-F191 PolarHBondContact O-N 3.02Å; V188-F191 PolarHBondContact O-N 3.09Å; E189-F191 VanDerWaalsContact C-N 3.29Å; E189-F191 PolarHBondContact O-N 3.4Å; F191-I193 VanDerWaalsContact C-N 3.32Å; F191-I193 PolarHBondContact O-N 3.35Å; F191-H194 PolarHBondContact O-N 3.22Å; F191-L195 WeakPolarHBondContact O-CB 3.36Å; F191-L195 PolarHBondContact O-N 3.5Å; F191-F268 HydrophobicContact CZ-CZ 4.04Å; F191-L272 HydrophobicContact CE1-CD2 3.91Å; F191-L272 HydrophobicContact CZ-CD2 4.49Å; F191-F279 HydrophobicContact CD1-CE2 4.29Å; F191-F279 HydrophobicContact CD1-CZ 4.08Å; F191-F279 HydrophobicContact CE1-CE2 4.42Å
192	R	88.9	Confident	87	Confident	66 Å²	66	67.3 Å²	67.3	25%	0.249	35%	0.349	C	S	.	.	H	α-helix	trans	-58.5	-44.5	171.9	-169.1	-166.1	68.8	74.1	-0.2	111.4	V188 E189 L195 Q196 F279 F281	V188-R192 PolarHBondContact O-N 3.46Å; E189-R192 VanDerWaalsContact O-CB 3.29Å; E189-R192 WeakPolarHBondContact O-CB 3.25Å; E189-R192 PolarHBondContact O-N 3.43Å; E189-R192 VanDerWaalsContact O-N 3.12Å; E189-R192 IonicContact OE1-CZ 3.27Å; E189-R192 IonicContact OE1-NE 2.58Å; E189-R192 PolarHBondContact OE1-NE 3.48Å; E189-R192 IonicContact OE1-NH2 3.49Å; E189-R192 PolarHBondContact OE1-NH2 3.2Å; E189-R192 WeakPolarHBondContact OE2-CD 3.49Å; E189-R192 IonicContact OE2-CZ 3.21Å; E189-R192 IonicContact OE2-NE 3.69Å; E189-R192 PolarHBondContact OE2-NE 2.88Å; R192-L195 WeakPolarHBondContact O-CB 3.23Å; R192-L195 PolarHBondContact O-N 3.31Å; R192-Q196 VanDerWaalsContact NH1-OE1 3.16Å; R192-Q196 PolarHBondContact O-N 2.88Å; R192-F279 HydrophobicContact CB-CE1 3.9Å; R192-F279 HydrophobicContact CB-CZ 4.06Å; R192-F279 HydrophobicContact CG-CE1 4.19Å; R192-F279 HydrophobicContact CG-CZ 4.5Å; R192-F281 HydrophobicContact CG-CZ 4.44Å
193	I	88.9	Confident	88.2	Confident	76 Å²	76	65.4 Å²	65.4	39%	0.39	34%	0.341	S	S	.	.	H	α-helix	trans	-62	-48	177.3	-66	166.3	0	0	0	110.3	E189 N190 F191 L195 Q196 T197	E189-I193 WeakPolarHBondContact O-CG1 3.37Å; E189-I193 PolarHBondContact O-N 3.49Å; N190-I193 PolarHBondContact O-N 2.88Å; F191-I193 VanDerWaalsContact C-N 3.32Å; F191-I193 PolarHBondContact O-N 3.35Å; I193-L195 VanDerWaalsContact C-N 3.28Å; I193-L195 PolarHBondContact O-N 2.94Å; I193-Q196 WeakPolarHBondContact O-CB 3.29Å; I193-Q196 PolarHBondContact O-N 3.18Å; I193-Q196 VanDerWaalsContact O-N 3.12Å; I193-T197 PolarHBondContact O-N 3.39Å; I193-T197 PolarHBondContact O-OG1 3.44Å; I193-T197 VanDerWaalsContact O-OG1 3.07Å
194	H	90.5	Very high	89.4	Confident	100 Å²	100	60.1 Å²	60.1	46%	0.463	32%	0.32	S	S	.	.	H	α-helix	trans	-59.9	-37.9	176.6	-72.9	92.2	0	0	0	112.8	N190 F191 T197 F198	N190-H194 PolarHBondContact O-N 3.08Å; N190-H194 VanDerWaalsContact O-N 3.07Å; N190-H194 PolarHBondContact O-ND1 3.07Å; F191-H194 PolarHBondContact O-N 3.22Å; H194-T197 PolarHBondContact O-N 3.41Å; H194-F198 PolarHBondContact O-N 3.34Å
195	L	92.1	Very high	90.1	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.01	32%	0.319	C	S	.	.	H	α-helix	trans	-65.6	-40.6	176	-179.5	59.9	0	0	0	111.8	L173 F191 R192 I193 F198 G199 F268 L272 P283 V284 M287	L173-L195 HydrophobicContact CD1-CD1 3.93Å; F191-L195 WeakPolarHBondContact O-CB 3.36Å; F191-L195 PolarHBondContact O-N 3.5Å; R192-L195 WeakPolarHBondContact O-CB 3.23Å; R192-L195 PolarHBondContact O-N 3.31Å; I193-L195 VanDerWaalsContact C-N 3.28Å; I193-L195 PolarHBondContact O-N 2.94Å; L195-F198 PolarHBondContact O-N 3.24Å; L195-G199 PolarHBondContact O-N 3.48Å; L195-G199 VanDerWaalsContact O-N 3.1Å; L195-F268 HydrophobicContact CD1-CE1 3.62Å; L195-F268 HydrophobicContact CD1-CZ 4.19Å; L195-F268 HydrophobicContact CD2-CE1 4.38Å; L195-L272 HydrophobicContact CD2-CD1 4.25Å; L195-P283 HydrophobicContact CD2-CB 3.67Å; L195-P283 HydrophobicContact CD2-CG 3.73Å; L195-V284 HydrophobicContact CD2-CG2 4.33Å; L195-M287 HydrophobicContact CD1-CE 3.53Å; L195-M287 HydrophobicContact CD1-SD 4.12Å; L195-M287 HydrophobicContact CD2-CE 4.17Å; L195-M287 HydrophobicContact CG-CE 3.59Å
196	Q	90.6	Very high	90.8	Very high	96 Å²	96	54.6 Å²	54.6	45%	0.449	29%	0.286	S	S	.	.	H	α-helix	trans	-64.7	-46.6	174.9	-174.4	174	-8.8	0	0	111.2	R192 I193 F198 G199 D200	R192-Q196 VanDerWaalsContact NH1-OE1 3.16Å; R192-Q196 PolarHBondContact O-N 2.88Å; I193-Q196 WeakPolarHBondContact O-CB 3.29Å; I193-Q196 PolarHBondContact O-N 3.18Å; I193-Q196 VanDerWaalsContact O-N 3.12Å; Q196-F198 VanDerWaalsContact C-N 3.3Å; Q196-F198 PolarHBondContact O-N 3.35Å; Q196-G199 WeakPolarHBondContact O-CA 3.5Å; Q196-G199 PolarHBondContact O-N 3.39Å; Q196-D200 WeakPolarHBondContact CG-OD2 3.28Å; Q196-D200 PolarHBondContact O-N 2.87Å
197	T	93.3	Very high	91.4	Very high	61 Å²	61	49.1 Å²	49.1	37%	0.374	26%	0.256	S	S	.	.	H	α-helix	trans	-56.7	-41.6	174.2	-57.6	0	0	0	0	111.9	I193 H194 G199 D201	I193-T197 PolarHBondContact O-N 3.39Å; I193-T197 PolarHBondContact O-OG1 3.44Å; I193-T197 VanDerWaalsContact O-OG1 3.07Å; H194-T197 PolarHBondContact O-N 3.41Å; T197-G199 PolarHBondContact O-N 3.02Å; T197-D201 HydrophobicContact CG2-CB 4.46Å; T197-D201 WeakPolarHBondContact CG2-OD2 3.41Å; T197-D201 VanDerWaalsContact O-CB 3.3Å; T197-D201 WeakPolarHBondContact O-CB 3.25Å; T197-D201 PolarHBondContact O-N 2.88Å
198	F	95.8	Very high	91.8	Very high	5 Å²	5	49.6 Å²	49.6	2%	0.022	26%	0.257	C	S	.	.	I	π-helix	trans	-61	-43.5	173.7	167.7	-94.5	0	0	0	112.3	T166 L170 L173 H194 L195 Q196 I202 L203 L265 M287	T166-F198 HydrophobicContact CG2-CE2 4.2Å; T166-F198 HydrophobicContact CG2-CZ 4.06Å; L170-F198 HydrophobicContact CB-CE2 4.15Å; L170-F198 HydrophobicContact CB-CZ 3.9Å; L170-F198 HydrophobicContact CD1-CE1 4.31Å; L170-F198 HydrophobicContact CD1-CZ 4.26Å; L173-F198 HydrophobicContact CD1-CB 3.74Å; L173-F198 HydrophobicContact CD1-CD1 3.73Å; L173-F198 HydrophobicContact CD1-CD2 3.97Å; L173-F198 HydrophobicContact CD1-CE1 4.36Å; L173-F198 HydrophobicContact CD1-CG 3.51Å; H194-F198 PolarHBondContact O-N 3.34Å; L195-F198 PolarHBondContact O-N 3.24Å; Q196-F198 VanDerWaalsContact C-N 3.3Å; Q196-F198 PolarHBondContact O-N 3.35Å; F198-I202 HydrophobicContact CD2-CB 4.04Å; F198-I202 HydrophobicContact CD2-CD1 4.04Å; F198-I202 HydrophobicContact CD2-CG2 4.17Å; F198-I202 HydrophobicContact CE2-CB 4.36Å; F198-I202 HydrophobicContact CE2-CG2 4.06Å; F198-I202 WeakPolarHBondContact O-CB 3.44Å; F198-I202 PolarHBondContact O-N 3.11Å; F198-L203 HydrophobicContact CE1-CB 4.18Å; F198-L203 HydrophobicContact CZ-CB 4.36Å; F198-L203 PolarHBondContact O-N 3.25Å; F198-L265 HydrophobicContact CE1-CD2 4.37Å; F198-M287 HydrophobicContact CD1-SD 3.85Å; F198-M287 HydrophobicContact CE1-SD 4.06Å
199	G	93.8	Very high	92.2	Very high	5 Å²	5	49.8 Å²	49.8	5%	0.052	26%	0.256	C	S	.	.	I	π-helix	trans	-59.9	-53.7	177.1	0	0	0	0	0	112.2	L195 Q196 T197 V204	L195-G199 PolarHBondContact O-N 3.48Å; L195-G199 VanDerWaalsContact O-N 3.1Å; Q196-G199 WeakPolarHBondContact O-CA 3.5Å; Q196-G199 PolarHBondContact O-N 3.39Å; T197-G199 PolarHBondContact O-N 3.02Å; G199-V204 WeakPolarHBondContact O-CG2 3.48Å; G199-V204 PolarHBondContact O-N 3.42Å
200	D	93.4	Very high	92.5	Very high	90 Å²	90	45.9 Å²	45.9	48%	0.481	24%	0.238	S	C	.	.	I	π-helix	trans	-77.2	-41.9	-170.7	-65.3	-22.2	0	0	0	112.5	Q196 P205	Q196-D200 WeakPolarHBondContact CG-OD2 3.28Å; Q196-D200 PolarHBondContact O-N 2.87Å; D200-P205 VanDerWaalsContact O-CD 3.3Å; D200-P205 WeakPolarHBondContact O-CD 3.48Å
201	D	94.5	Very high	92.8	Very high	112 Å²	112	42.8 Å²	42.8	60%	0.599	22%	0.22	S	C	*	.	I	π-helix	trans	-100.2	-16	-170.1	-61.3	-27.6	0	0	0	114.1	T197	T197-D201 HydrophobicContact CG2-CB 4.46Å; T197-D201 WeakPolarHBondContact CG2-OD2 3.41Å; T197-D201 VanDerWaalsContact O-CB 3.3Å; T197-D201 WeakPolarHBondContact O-CB 3.25Å; T197-D201 PolarHBondContact O-N 2.88Å
202	I	95.2	Very high	92.8	Very high	45 Å²	45	45.8 Å²	45.8	23%	0.231	24%	0.238	C	C	.	.	I	π-helix	trans	-118.4	-58.5	-176.8	-56.1	177.3	0	0	0	111	T166 F198 C206	T166-I202 HydrophobicContact CG2-CG2 4.29Å; F198-I202 HydrophobicContact CD2-CB 4.04Å; F198-I202 HydrophobicContact CD2-CD1 4.04Å; F198-I202 HydrophobicContact CD2-CG2 4.17Å; F198-I202 HydrophobicContact CE2-CB 4.36Å; F198-I202 HydrophobicContact CE2-CG2 4.06Å; F198-I202 WeakPolarHBondContact O-CB 3.44Å; F198-I202 PolarHBondContact O-N 3.11Å; I202-C206 WeakPolarHBondContact O-CB 3.46Å; I202-C206 PolarHBondContact O-N 3.37Å
203	L	95.6	Very high	92.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.227	C	C	.	.	I	π-helix	trans	-67.4	-53.1	-173.8	178	66.3	0	0	0	112	T166 F198 C206 L207 L261 L265 M287 V291	T166-L203 HydrophobicContact CG2-CD1 4.04Å; F198-L203 HydrophobicContact CE1-CB 4.18Å; F198-L203 HydrophobicContact CZ-CB 4.36Å; F198-L203 PolarHBondContact O-N 3.25Å; L203-C206 WeakPolarHBondContact O-CB 3.27Å; L203-C206 PolarHBondContact O-N 2.8Å; L203-L207 HydrophobicContact CD1-CD1 4.18Å; L203-L207 HydrophobicContact CD1-CG 4.27Å; L203-L207 HydrophobicContact CG-CD1 4.07Å; L203-L207 HydrophobicContact CG-CG 4.49Å; L203-L207 WeakPolarHBondContact O-CG 3.37Å; L203-L207 PolarHBondContact O-N 3.36Å; L203-L261 HydrophobicContact CD1-CD1 4.1Å; L203-L261 HydrophobicContact CD1-CD2 3.7Å; L203-L261 HydrophobicContact CD1-CG 4.23Å; L203-L265 HydrophobicContact CD1-CD1 4.45Å; L203-L265 HydrophobicContact CD2-CD1 4.11Å; L203-M287 HydrophobicContact CD2-CB 3.49Å; L203-M287 VanDerWaalsContact CD2-CB 3.49Å; L203-M287 HydrophobicContact CD2-CG 3.64Å; L203-M287 HydrophobicContact CD2-SD 4.4Å; L203-V291 HydrophobicContact CD1-CG2 4.48Å
204	V	94.3	Very high	93	Very high	58 Å²	58	39.4 Å²	39.4	35%	0.352	21%	0.21	S	C	.	.	H	α-helix	trans	-59.1	-49.3	-178	167.5	0	0	0	0	111.5	G199 C206 L207 E208	G199-V204 WeakPolarHBondContact O-CG2 3.48Å; G199-V204 PolarHBondContact O-N 3.42Å; V204-C206 VanDerWaalsContact C-N 3.26Å; V204-C206 PolarHBondContact O-N 2.82Å; V204-L207 PolarHBondContact O-N 3Å; V204-E208 HydrophobicContact CG1-CG 4.31Å; V204-E208 WeakPolarHBondContact O-CG 3.42Å; V204-E208 PolarHBondContact O-N 2.98Å
205	P	94.2	Very high	92.9	Very high	53 Å²	53	36 Å²	36	34%	0.344	20%	0.195	S	C	.	.	H	α-helix	trans	-61	-30.6	176.4	-28	37.9	0	0	0	114.4	D200 Q209	D200-P205 VanDerWaalsContact O-CD 3.3Å; D200-P205 WeakPolarHBondContact O-CD 3.48Å; P205-Q209 PolarHBondContact O-N 3.22Å
206	C	94.7	Very high	92.6	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.014	22%	0.219	C	C	.	.	H	α-helix	trans	-68.3	-42.9	172.8	-174.6	0	0	0	0	111.6	T166 I202 L203 V204 Q209 Y210	T166-C206 WeakPolarHBondContact OG1-CB 3.34Å; T166-C206 PolarHBondContact OG1-SG 2.85Å; I202-C206 WeakPolarHBondContact O-CB 3.46Å; I202-C206 PolarHBondContact O-N 3.37Å; L203-C206 WeakPolarHBondContact O-CB 3.27Å; L203-C206 PolarHBondContact O-N 2.8Å; V204-C206 VanDerWaalsContact C-N 3.26Å; V204-C206 PolarHBondContact O-N 2.82Å; C206-Q209 PolarHBondContact O-N 3.08Å; C206-Y210 WeakPolarHBondContact O-CB 3.43Å; C206-Y210 PolarHBondContact O-N 3.21Å
207	L	94.9	Very high	92.5	Very high	3 Å²	3	39 Å²	39	2%	0.016	21%	0.209	C	C	.	.	H	α-helix	trans	-67.4	-39.6	177.5	-67.6	176.3	0	0	0	112.4	L203 V204 Q209 Y210 K211 L258 L261 A290 V291 A294	L203-L207 HydrophobicContact CD1-CD1 4.18Å; L203-L207 HydrophobicContact CD1-CG 4.27Å; L203-L207 HydrophobicContact CG-CD1 4.07Å; L203-L207 HydrophobicContact CG-CG 4.49Å; L203-L207 WeakPolarHBondContact O-CG 3.37Å; L203-L207 PolarHBondContact O-N 3.36Å; V204-L207 PolarHBondContact O-N 3Å; L207-Q209 VanDerWaalsContact C-N 3.33Å; L207-Q209 PolarHBondContact O-N 2.87Å; L207-Y210 WeakPolarHBondContact O-CB 3.47Å; L207-Y210 PolarHBondContact O-N 2.96Å; L207-K211 VanDerWaalsContact O-CG 3.27Å; L207-K211 WeakPolarHBondContact O-CG 3.33Å; L207-K211 PolarHBondContact O-N 3.4Å; L207-L258 HydrophobicContact CD2-CD2 3.8Å; L207-L261 HydrophobicContact CD2-CD2 4.01Å; L207-A290 HydrophobicContact CD1-CB 3.75Å; L207-V291 HydrophobicContact CD1-CG2 4Å; L207-V291 HydrophobicContact CD2-CG2 4.29Å; L207-A294 HydrophobicContact CD2-CB 4.21Å
208	E	92.7	Very high	92.3	Very high	67 Å²	67	36.2 Å²	36.2	31%	0.313	19%	0.192	S	C	.	.	H	α-helix	trans	-63.6	-39.3	175	-65.9	-58.8	112.7	0	0	111.6	V204 Y210 K211 T212 Q360	V204-E208 HydrophobicContact CG1-CG 4.31Å; V204-E208 WeakPolarHBondContact O-CG 3.42Å; V204-E208 PolarHBondContact O-N 2.98Å; E208-Y210 VanDerWaalsContact C-N 3.34Å; E208-Y210 PolarHBondContact O-N 3.32Å; E208-K211 PolarHBondContact O-N 3.1Å; E208-K211 IonicContact OE1-NZ 3.67Å; E208-K211 PolarHBondContact OE1-NZ 3.24Å; E208-T212 WeakPolarHBondContact O-CB 3.39Å; E208-T212 PolarHBondContact O-N 2.9Å; E208-T212 PolarHBondContact O-OG1 3.28Å; E208-Q360 PolarHBondContact O-OE1 3.34Å; E208-Q360 VanDerWaalsContact OE2-CD 3.25Å; E208-Q360 PolarHBondContact OE2-OE1 3.45Å
209	Q	91.5	Very high	91.8	Very high	35 Å²	35	40 Å²	40	16%	0.164	21%	0.211	C	C	.	.	H	α-helix	trans	-61.9	-44.6	172.6	-171.7	64.2	54.3	0	0	111.5	M158 L159 K162 P205 C206 L207 T212 F213	M158-Q209 HydrophobicContact CE-CG 4.26Å; L159-Q209 HydrophobicContact CB-CG 4.42Å; L159-Q209 HydrophobicContact CD1-CB 4.31Å; L159-Q209 HydrophobicContact CD1-CG 4.08Å; K162-Q209 HydrophobicContact CD-CB 3.92Å; K162-Q209 HydrophobicContact CD-CG 4Å; K162-Q209 VanDerWaalsContact NZ-OE1 3.09Å; P205-Q209 PolarHBondContact O-N 3.22Å; C206-Q209 PolarHBondContact O-N 3.08Å; L207-Q209 VanDerWaalsContact C-N 3.33Å; L207-Q209 PolarHBondContact O-N 2.87Å; Q209-T212 PolarHBondContact O-N 2.88Å; Q209-F213 WeakPolarHBondContact O-CB 3.24Å; Q209-F213 PolarHBondContact O-N 3.24Å
210	Y	92.8	Very high	91.6	Very high	1 Å²	1	42 Å²	42	0%	0.004	23%	0.227	C	C	.	.	H	α-helix	trans	-60.5	-47.4	178.3	172.8	-86.6	0	0	0	111.7	L159 M163 C206 L207 E208 T212 F213 C214 M254 V257 L258 L298	L159-Y210 HydrophobicContact CD1-CD2 4.46Å; L159-Y210 HydrophobicContact CD2-CD2 4.24Å; M163-Y210 HydrophobicContact CE-CD2 3.71Å; M163-Y210 HydrophobicContact CE-CG 4.07Å; C206-Y210 WeakPolarHBondContact O-CB 3.43Å; C206-Y210 PolarHBondContact O-N 3.21Å; L207-Y210 WeakPolarHBondContact O-CB 3.47Å; L207-Y210 PolarHBondContact O-N 2.96Å; E208-Y210 VanDerWaalsContact C-N 3.34Å; E208-Y210 PolarHBondContact O-N 3.32Å; Y210-T212 PolarHBondContact O-N 3.15Å; Y210-F213 PolarHBondContact O-N 3.05Å; Y210-C214 VanDerWaalsContact CE1-SG 3.53Å; Y210-C214 WeakPolarHBondContact O-CB 3.27Å; Y210-C214 PolarHBondContact O-N 3.45Å; Y210-C214 PolarHBondContact O-SG 3.49Å; Y210-M254 HydrophobicContact CE2-SD 3.95Å; Y210-M254 VanDerWaalsContact OH-CB 3.29Å; Y210-M254 WeakPolarHBondContact OH-CB 3.36Å; Y210-M254 PolarHBondContact OH-O 3.45Å; Y210-V257 HydrophobicContact CD2-CG1 4.39Å; Y210-V257 HydrophobicContact CE2-CB 4.36Å; Y210-V257 HydrophobicContact CE2-CG1 4.12Å; Y210-L258 HydrophobicContact CD1-CD1 4.32Å; Y210-L258 HydrophobicContact CD1-CD2 4.04Å; Y210-L258 HydrophobicContact CD1-CG 4.33Å; Y210-L258 HydrophobicContact CE1-CD1 3.44Å; Y210-L258 VanDerWaalsContact CE1-CD1 3.44Å; Y210-L258 HydrophobicContact CE1-CD2 3.88Å; Y210-L258 HydrophobicContact CE1-CG 3.67Å; Y210-L258 HydrophobicContact CE2-CD2 4.33Å; Y210-L258 HydrophobicContact CE2-CG 4.02Å; Y210-L258 HydrophobicContact CG-CD2 4.36Å; Y210-L258 VanDerWaalsContact CZ-CG 3.46Å; Y210-L258 WeakPolarHBondContact OH-CD1 3.18Å; Y210-L258 WeakPolarHBondContact OH-CG 3.46Å; Y210-L298 WeakPolarHBondContact OH-CD2 3.5Å
211	K	92.6	Very high	91.4	Very high	20 Å²	20	39.1 Å²	39.1	9%	0.087	21%	0.212	C	C	.	.	H	α-helix	trans	-61	-44.4	178	-70.1	173.3	-169	175	0	111.1	L207 E208 C214 N215 A294 L297 Q360	L207-K211 VanDerWaalsContact O-CG 3.27Å; L207-K211 WeakPolarHBondContact O-CG 3.33Å; L207-K211 PolarHBondContact O-N 3.4Å; E208-K211 PolarHBondContact O-N 3.1Å; E208-K211 IonicContact OE1-NZ 3.67Å; E208-K211 PolarHBondContact OE1-NZ 3.24Å; K211-C214 PolarHBondContact O-N 3.21Å; K211-N215 WeakPolarHBondContact O-CB 3.32Å; K211-N215 VanDerWaalsContact O-CG 3.25Å; K211-N215 PolarHBondContact O-N 3.1Å; K211-N215 PolarHBondContact O-ND2 3.17Å; K211-A294 HydrophobicContact CG-CB 4.27Å; K211-L297 HydrophobicContact CB-CD2 4.22Å; K211-L297 HydrophobicContact CD-CD2 3.88Å; K211-L297 HydrophobicContact CG-CD2 3.96Å; K211-Q360 VanDerWaalsContact CB-OE1 3.27Å; K211-Q360 HydrophobicContact CD-CB 3.9Å; K211-Q360 PolarHBondContact NZ-O 3.41Å
212	T	89.7	Confident	91.1	Very high	64 Å²	64	34.4 Å²	34.4	39%	0.393	19%	0.185	S	C	.	.	H	α-helix	trans	-59.7	-49.2	177.1	-55.4	0	0	0	0	111.4	E208 Q209 Y210 C214 N215 K216 Q360	E208-T212 WeakPolarHBondContact O-CB 3.39Å; E208-T212 PolarHBondContact O-N 2.9Å; E208-T212 PolarHBondContact O-OG1 3.28Å; Q209-T212 PolarHBondContact O-N 2.88Å; Y210-T212 PolarHBondContact O-N 3.15Å; T212-C214 VanDerWaalsContact C-N 3.33Å; T212-C214 PolarHBondContact O-N 2.82Å; T212-N215 PolarHBondContact O-N 3.23Å; T212-K216 PolarHBondContact O-N 2.8Å; T212-Q360 PolarHBondContact OG1-NE2 3.05Å
213	F	89.8	Confident	90.9	Very high	5 Å²	5	37.7 Å²	37.7	2%	0.022	20%	0.2	C	C	.	.	H	α-helix	trans	-58.5	-46	176.4	178.4	-87.9	0	0	0	111.4	F146 E155 L159 Q209 Y210 N217 F250 M254	F146-F213 HydrophobicContact CD1-CE1 4.31Å; E155-F213 HydrophobicContact CB-CD2 4.13Å; E155-F213 HydrophobicContact CB-CE2 4.37Å; L159-F213 HydrophobicContact CD2-CB 3.8Å; L159-F213 HydrophobicContact CD2-CD1 3.76Å; L159-F213 HydrophobicContact CD2-CD2 4.23Å; L159-F213 HydrophobicContact CD2-CE1 4.46Å; L159-F213 HydrophobicContact CD2-CG 3.65Å; Q209-F213 WeakPolarHBondContact O-CB 3.24Å; Q209-F213 PolarHBondContact O-N 3.24Å; Y210-F213 PolarHBondContact O-N 3.05Å; F213-N217 WeakPolarHBondContact CE2-ND2 3.39Å; F213-N217 WeakPolarHBondContact CZ-ND2 3.4Å; F213-N217 PolarHBondContact O-N 2.97Å; F213-N217 VanDerWaalsContact O-N 3.17Å; F213-N217 PolarHBondContact O-ND2 3.31Å; F213-F250 HydrophobicContact CE1-CE2 4.45Å; F213-M254 HydrophobicContact CD1-CE 4.32Å; F213-M254 HydrophobicContact CD1-SD 4.35Å; F213-M254 HydrophobicContact CE1-CE 3.63Å; F213-M254 HydrophobicContact CE1-SD 4.23Å
214	C	90.3	Very high	90.5	Very high	4 Å²	4	42.1 Å²	42.1	3%	0.027	22%	0.22	C	C	.	.	H	α-helix	trans	-64.3	-45.1	-179	-70.7	0	0	0	0	112	Y210 K211 T212 K216 C218 F250 L298	Y210-C214 VanDerWaalsContact CE1-SG 3.53Å; Y210-C214 WeakPolarHBondContact O-CB 3.27Å; Y210-C214 PolarHBondContact O-N 3.45Å; Y210-C214 PolarHBondContact O-SG 3.49Å; K211-C214 PolarHBondContact O-N 3.21Å; T212-C214 VanDerWaalsContact C-N 3.33Å; T212-C214 PolarHBondContact O-N 2.82Å; C214-K216 PolarHBondContact O-N 3.11Å; C214-C218 WeakPolarHBondContact O-CB 3.44Å; C214-C218 PolarHBondContact O-N 3.5Å; C214-F250 HydrophobicContact CB-CZ 4.33Å; C214-L298 HydrophobicContact CB-CD1 3.99Å
215	N	88.8	Confident	90.3	Very high	28 Å²	28	39.4 Å²	39.4	15%	0.15	20%	0.204	C	C	.	.	H	α-helix	trans	-59.5	-45.2	-179.4	-76.3	-22.8	0	0	0	111.9	K211 T212 M219 R357	K211-N215 WeakPolarHBondContact O-CB 3.32Å; K211-N215 VanDerWaalsContact O-CG 3.25Å; K211-N215 PolarHBondContact O-N 3.1Å; K211-N215 PolarHBondContact O-ND2 3.17Å; T212-N215 PolarHBondContact O-N 3.23Å; N215-M219 VanDerWaalsContact O-CG 3.28Å; N215-M219 WeakPolarHBondContact O-CG 3.5Å; N215-M219 PolarHBondContact O-N 3.17Å; N215-R357 PolarHBondContact ND2-O 3.5Å
216	K	87.2	Confident	90	Very high	117 Å²	117	37 Å²	37	51%	0.509	19%	0.188	S	C	.	.	H	α-helix	trans	-64.1	-52.8	179.7	-175.3	-174.1	175.1	-166.3	0	112	E155 T212 C214 M219 A220	E155-K216 IonicContact OE1-NZ 2.78Å; E155-K216 PolarHBondContact OE1-NZ 2.88Å; E155-K216 WeakPolarHBondContact OE2-CD 3.42Å; E155-K216 IonicContact OE2-NZ 3.32Å; E155-K216 PolarHBondContact OE2-NZ 3.06Å; T212-K216 PolarHBondContact O-N 2.8Å; C214-K216 PolarHBondContact O-N 3.11Å; K216-M219 PolarHBondContact O-N 2.96Å; K216-A220 PolarHBondContact O-N 2.99Å
217	N	87.7	Confident	89.6	Confident	43 Å²	43	39.8 Å²	39.8	23%	0.23	20%	0.202	C	C	.	.	H	α-helix	trans	-67.7	-39	-176.7	-76	-80.2	0	0	0	112.3	F213 M219 A220 L221 F250	F213-N217 WeakPolarHBondContact CE2-ND2 3.39Å; F213-N217 WeakPolarHBondContact CZ-ND2 3.4Å; F213-N217 PolarHBondContact O-N 2.97Å; F213-N217 VanDerWaalsContact O-N 3.17Å; F213-N217 PolarHBondContact O-ND2 3.31Å; N217-M219 VanDerWaalsContact C-N 3.34Å; N217-M219 PolarHBondContact O-N 3.28Å; N217-A220 PolarHBondContact O-N 2.96Å; N217-L221 WeakPolarHBondContact O-CG 3.47Å; N217-L221 PolarHBondContact O-N 3.41Å; N217-F250 HydrophobicContact CB-CD2 4.46Å; N217-F250 HydrophobicContact CB-CE2 3.62Å; N217-F250 HydrophobicContact CB-CZ 4.04Å
218	C	88.3	Confident	89.3	Confident	4 Å²	4	41.5 Å²	41.5	3%	0.027	21%	0.213	C	C	.	.	H	α-helix	trans	-64	-38.3	178.7	-173	0	0	0	0	112.1	C214 L221 W222 F250 Y251 N301	C214-C218 WeakPolarHBondContact O-CB 3.44Å; C214-C218 PolarHBondContact O-N 3.5Å; C218-L221 PolarHBondContact O-N 3.21Å; C218-W222 WeakPolarHBondContact O-CB 3.34Å; C218-W222 VanDerWaalsContact O-CD1 3.31Å; C218-W222 PolarHBondContact O-N 2.77Å; C218-F250 HydrophobicContact CB-CE1 3.94Å; C218-F250 HydrophobicContact CB-CZ 4.29Å; C218-Y251 PolarHBondContact SG-OH 2.98Å; C218-N301 PolarHBondContact SG-ND2 2.92Å
219	M	87	Confident	88.9	Confident	83 Å²	83	38.7 Å²	38.7	41%	0.409	20%	0.2	S	C	.	.	H	α-helix	trans	-62	-45.2	175.2	-76.8	-62.2	-72.5	0	0	112.4	N215 K216 N217 W222 Q223 R357	N215-M219 VanDerWaalsContact O-CG 3.28Å; N215-M219 WeakPolarHBondContact O-CG 3.5Å; N215-M219 PolarHBondContact O-N 3.17Å; K216-M219 PolarHBondContact O-N 2.96Å; N217-M219 VanDerWaalsContact C-N 3.34Å; N217-M219 PolarHBondContact O-N 3.28Å; M219-W222 PolarHBondContact O-N 2.65Å; M219-Q223 PolarHBondContact O-N 3.03Å; M219-R357 PolarHBondContact SD-NH1 3.31Å
220	A	88.3	Confident	88.8	Confident	48 Å²	48	37 Å²	37	40%	0.397	19%	0.192	S	C	.	.	H	α-helix	trans	-62.7	-43.5	177.9	0	0	0	0	0	112.1	K216 N217 Q223 Q224	K216-A220 PolarHBondContact O-N 2.99Å; N217-A220 PolarHBondContact O-N 2.96Å; A220-Q223 WeakPolarHBondContact O-CB 3.14Å; A220-Q223 PolarHBondContact O-N 3.1Å; A220-Q224 PolarHBondContact O-N 3.4Å
221	L	89.3	Confident	88.5	Confident	30 Å²	30	41 Å²	41	16%	0.157	21%	0.211	C	C	.	.	H	α-helix	trans	-66.1	-39.8	177.4	-68.2	170.9	0	0	0	112	N217 C218 Q223 Q224 V225 N246 L247 F250	N217-L221 WeakPolarHBondContact O-CG 3.47Å; N217-L221 PolarHBondContact O-N 3.41Å; C218-L221 PolarHBondContact O-N 3.21Å; L221-Q223 VanDerWaalsContact C-N 3.34Å; L221-Q223 PolarHBondContact O-N 3.33Å; L221-Q224 PolarHBondContact O-N 3.11Å; L221-V225 WeakPolarHBondContact O-CG2 3.47Å; L221-V225 PolarHBondContact O-N 2.75Å; L221-N246 HydrophobicContact CD2-CB 4.35Å; L221-L247 HydrophobicContact CB-CD1 3.74Å; L221-L247 HydrophobicContact CD1-CD1 4.24Å; L221-F250 HydrophobicContact CD1-CB 3.6Å; L221-F250 HydrophobicContact CD1-CD1 4.18Å; L221-F250 HydrophobicContact CD1-CD2 3.79Å; L221-F250 HydrophobicContact CD1-CG 3.59Å
222	W	89.4	Confident	88.1	Confident	13 Å²	13	44.3 Å²	44.3	5%	0.049	22%	0.222	C	C	.	.	H	α-helix	trans	-65	-36.4	175.3	-92.4	111.3	0	0	0	112.9	C218 M219 Q224 V225 R226 L247 Y251 N301 V303 L304 L327 L531	C218-W222 WeakPolarHBondContact O-CB 3.34Å; C218-W222 VanDerWaalsContact O-CD1 3.31Å; C218-W222 PolarHBondContact O-N 2.77Å; M219-W222 PolarHBondContact O-N 2.65Å; W222-Q224 VanDerWaalsContact C-N 3.34Å; W222-V225 HydrophobicContact CE3-CB 4.38Å; W222-V225 HydrophobicContact CE3-CG1 4.31Å; W222-V225 HydrophobicContact CZ3-CG1 4.22Å; W222-V225 PolarHBondContact O-N 2.99Å; W222-R226 WeakPolarHBondContact O-CB 3.21Å; W222-R226 PolarHBondContact O-N 3.02Å; W222-L247 HydrophobicContact CD2-CD2 3.92Å; W222-L247 HydrophobicContact CE3-CD2 4.25Å; W222-L247 HydrophobicContact CG-CD2 4.43Å; W222-L247 HydrophobicContact CH2-CD2 4.26Å; W222-L247 HydrophobicContact CZ2-CD2 3.92Å; W222-L247 HydrophobicContact CZ3-CD2 4.41Å; W222-Y251 PolarHBondContact NE1-OH 3.38Å; W222-N301 VanDerWaalsContact CZ2-O 3.27Å; W222-N301 WeakPolarHBondContact CZ2-O 3.38Å; W222-N301 PolarHBondContact NE1-ND2 3Å; W222-V303 WeakPolarHBondContact CH2-O 3.43Å; W222-L304 HydrophobicContact CH2-CB 4.22Å; W222-L304 HydrophobicContact CH2-CD1 4.13Å; W222-L304 HydrophobicContact CH2-CG 4.42Å; W222-L304 HydrophobicContact CZ3-CD1 4.18Å; W222-L327 HydrophobicContact CH2-CD1 3.94Å; W222-L327 HydrophobicContact CZ2-CD1 3.45Å; W222-L327 VanDerWaalsContact CZ2-CD1 3.45Å; W222-L531 HydrophobicContact CE3-CD2 4.3Å
223	Q	89.4	Confident	87.8	Confident	114 Å²	114	42.6 Å²	42.6	53%	0.533	21%	0.211	S	C	.	.	H	α-helix	trans	-61.4	-43.7	173.9	-171.7	179.4	10.2	0	0	111.1	M219 A220 L221 R226 L227	M219-Q223 PolarHBondContact O-N 3.03Å; A220-Q223 WeakPolarHBondContact O-CB 3.14Å; A220-Q223 PolarHBondContact O-N 3.1Å; L221-Q223 VanDerWaalsContact C-N 3.34Å; L221-Q223 PolarHBondContact O-N 3.33Å; Q223-R226 PolarHBondContact O-N 3.31Å; Q223-L227 VanDerWaalsContact O-CG 3.32Å; Q223-L227 WeakPolarHBondContact O-CG 3.49Å; Q223-L227 PolarHBondContact O-N 2.84Å
224	Q	88.7	Confident	87.5	Confident	93 Å²	93	45.1 Å²	45.1	44%	0.435	22%	0.22	S	C	.	.	H	α-helix	trans	-62.5	-44.7	175.6	-68.4	176.1	1.7	0	0	112.3	A220 L221 W222 R226 L227 V228	A220-Q224 PolarHBondContact O-N 3.4Å; L221-Q224 PolarHBondContact O-N 3.11Å; W222-Q224 VanDerWaalsContact C-N 3.34Å; Q224-R226 VanDerWaalsContact C-N 3.35Å; Q224-L227 PolarHBondContact O-N 3.42Å; Q224-V228 PolarHBondContact O-N 3.38Å
225	V	88.2	Confident	87.1	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.006	23%	0.225	C	C	.	.	H	α-helix	trans	-59	-49.7	174.6	171	0	0	0	0	109.6	L221 W222 L227 V228 Q229 I244 L247 L304	L221-V225 WeakPolarHBondContact O-CG2 3.47Å; L221-V225 PolarHBondContact O-N 2.75Å; W222-V225 HydrophobicContact CE3-CB 4.38Å; W222-V225 HydrophobicContact CE3-CG1 4.31Å; W222-V225 HydrophobicContact CZ3-CG1 4.22Å; W222-V225 PolarHBondContact O-N 2.99Å; V225-L227 VanDerWaalsContact C-N 3.33Å; V225-L227 PolarHBondContact O-N 3.38Å; V225-V228 PolarHBondContact O-N 3.33Å; V225-V228 VanDerWaalsContact O-N 3.08Å; V225-Q229 HydrophobicContact CG1-CG 4.13Å; V225-Q229 VanDerWaalsContact O-CG 3.27Å; V225-Q229 WeakPolarHBondContact O-CG 3.4Å; V225-Q229 PolarHBondContact O-N 3.43Å; V225-I244 HydrophobicContact CG1-CG1 4.34Å; V225-I244 HydrophobicContact CG2-CG1 4.44Å; V225-L247 HydrophobicContact CG2-CB 4.33Å; V225-L247 HydrophobicContact CG2-CD2 3.96Å; V225-L304 HydrophobicContact CG1-CD1 4.11Å
226	R	88.3	Confident	86.4	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.008	24%	0.242	C	C	.	.	H	α-helix	trans	-59.5	-41	-177.9	-169.5	59.1	58.7	174.1	9.5	112.7	W222 Q223 Q224 Q229 V230 L492 Q528	W222-R226 WeakPolarHBondContact O-CB 3.21Å; W222-R226 PolarHBondContact O-N 3.02Å; Q223-R226 PolarHBondContact O-N 3.31Å; Q224-R226 VanDerWaalsContact C-N 3.35Å; R226-Q229 VanDerWaalsContact CZ-OE1 3.23Å; R226-Q229 VanDerWaalsContact NH1-OE1 3.09Å; R226-Q229 WeakPolarHBondContact O-CB 3.3Å; R226-Q229 PolarHBondContact O-N 2.58Å; R226-V230 WeakPolarHBondContact O-CG2 3.36Å; R226-V230 PolarHBondContact O-N 3.37Å; R226-L492 PolarHBondContact NH2-O 3.19Å; R226-Q528 HydrophobicContact CG-CG 4.47Å
227	L	87.8	Confident	85.4	Confident	60 Å²	60	48 Å²	48	31%	0.314	24%	0.24	S	C	.	.	H	α-helix	trans	-55.2	-51.2	172.7	-74.3	166.1	0	0	0	111.4	Q223 Q224 V225 Q229 V230 E231 N526 Q528	Q223-L227 VanDerWaalsContact O-CG 3.32Å; Q223-L227 WeakPolarHBondContact O-CG 3.49Å; Q223-L227 PolarHBondContact O-N 2.84Å; Q224-L227 PolarHBondContact O-N 3.42Å; V225-L227 VanDerWaalsContact C-N 3.33Å; V225-L227 PolarHBondContact O-N 3.38Å; L227-Q229 VanDerWaalsContact C-N 3.32Å; L227-Q229 PolarHBondContact O-N 3.26Å; L227-V230 PolarHBondContact O-N 2.84Å; L227-E231 WeakPolarHBondContact O-CG 3.23Å; L227-E231 PolarHBondContact O-N 3.02Å; L227-N526 WeakPolarHBondContact CD2-ND2 3.45Å; L227-Q528 VanDerWaalsContact CD2-NE2 3.29Å
228	V	86.6	Confident	84.2	Confident	39 Å²	39	55.2 Å²	55.2	24%	0.236	27%	0.269	C	S	.	.	H	α-helix	trans	-62.8	-38.1	178.4	175.4	0	0	0	0	111.9	Q224 V225 V230 E231 R232 S243	Q224-V228 PolarHBondContact O-N 3.38Å; V225-V228 PolarHBondContact O-N 3.33Å; V225-V228 VanDerWaalsContact O-N 3.08Å; V228-V230 PolarHBondContact O-N 3.11Å; V228-E231 PolarHBondContact O-N 3.46Å; V228-R232 VanDerWaalsContact O-CB 3.28Å; V228-R232 WeakPolarHBondContact O-CB 3.46Å; V228-R232 PolarHBondContact O-N 3.29Å; V228-S243 WeakPolarHBondContact CG2-OG 3.42Å
229	Q	86.3	Confident	82.7	Confident	8 Å²	8	59.1 Å²	59.1	4%	0.037	29%	0.29	C	S	.	.	H	α-helix	trans	-61.3	-43.2	175.4	-61.8	-162.1	-73.9	0	0	111.9	V225 R226 L227 R232 M233 E307 L494	V225-Q229 HydrophobicContact CG1-CG 4.13Å; V225-Q229 VanDerWaalsContact O-CG 3.27Å; V225-Q229 WeakPolarHBondContact O-CG 3.4Å; V225-Q229 PolarHBondContact O-N 3.43Å; R226-Q229 VanDerWaalsContact CZ-OE1 3.23Å; R226-Q229 VanDerWaalsContact NH1-OE1 3.09Å; R226-Q229 WeakPolarHBondContact O-CB 3.3Å; R226-Q229 PolarHBondContact O-N 2.58Å; L227-Q229 VanDerWaalsContact C-N 3.32Å; L227-Q229 PolarHBondContact O-N 3.26Å; Q229-R232 PolarHBondContact O-N 2.63Å; Q229-M233 PolarHBondContact O-N 3.47Å; Q229-M233 VanDerWaalsContact O-N 3.09Å; Q229-E307 WeakPolarHBondContact CA-OE1 3.39Å; Q229-E307 HydrophobicContact CB-CG 4.28Å; Q229-E307 WeakPolarHBondContact CB-OE1 3.41Å; Q229-E307 WeakPolarHBondContact CG-OE1 3.47Å; Q229-E307 PolarHBondContact NE2-OE1 2.86Å; Q229-L494 HydrophobicContact CB-CD1 3.95Å; Q229-L494 HydrophobicContact CB-CD2 4.44Å; Q229-L494 HydrophobicContact CB-CG 4.31Å
230	V	88.7	Confident	81.2	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-68.2	-44.8	178.2	175.5	0	0	0	0	111	R226 L227 V228 R232 M233 R234 L494 Y523 N526 L533	R226-V230 WeakPolarHBondContact O-CG2 3.36Å; R226-V230 PolarHBondContact O-N 3.37Å; L227-V230 PolarHBondContact O-N 2.84Å; V228-V230 PolarHBondContact O-N 3.11Å; V230-R232 VanDerWaalsContact C-N 3.3Å; V230-R232 PolarHBondContact O-N 2.92Å; V230-M233 PolarHBondContact O-N 2.93Å; V230-R234 VanDerWaalsContact O-CB 3.27Å; V230-R234 WeakPolarHBondContact O-CB 3.05Å; V230-R234 PolarHBondContact O-N 3.32Å; V230-L494 HydrophobicContact CG2-CD1 4.48Å; V230-L494 HydrophobicContact CG2-CD2 3.75Å; V230-Y523 HydrophobicContact CG1-CD1 4.45Å; V230-Y523 HydrophobicContact CG1-CG 4.5Å; V230-Y523 WeakPolarHBondContact CG1-O 3.33Å; V230-N526 HydrophobicContact CG1-CB 4.07Å; V230-L533 HydrophobicContact CG2-CD1 4.01Å; V230-L533 HydrophobicContact CG2-CD2 4.11Å
231	E	86.3	Confident	79.7	Confident	86 Å²	86	62 Å²	62	40%	0.402	30%	0.304	S	S	.	.	H	α-helix	trans	-58.6	-42.9	175.9	-71.6	179.3	163.6	0	0	111.4	L227 V228 M233 R234 D235	L227-E231 WeakPolarHBondContact O-CG 3.23Å; L227-E231 PolarHBondContact O-N 3.02Å; V228-E231 PolarHBondContact O-N 3.46Å; E231-M233 PolarHBondContact O-N 3.39Å; E231-R234 PolarHBondContact O-N 2.91Å; E231-D235 VanDerWaalsContact O-CB 3.28Å; E231-D235 WeakPolarHBondContact O-CB 3.4Å; E231-D235 PolarHBondContact O-N 3.3Å
232	R	83.9	Confident	78.4	Confident	88 Å²	88	64.3 Å²	64.3	33%	0.332	32%	0.321	S	S	.	.	H	α-helix	trans	-58.8	-46.7	174.5	178	-179.5	173.8	161.2	3.5	112.1	V228 Q229 V230 Q236 D239 E307	V228-R232 VanDerWaalsContact O-CB 3.28Å; V228-R232 WeakPolarHBondContact O-CB 3.46Å; V228-R232 PolarHBondContact O-N 3.29Å; Q229-R232 PolarHBondContact O-N 2.63Å; V230-R232 VanDerWaalsContact C-N 3.3Å; V230-R232 PolarHBondContact O-N 2.92Å; R232-Q236 WeakPolarHBondContact O-CA 3.45Å; R232-Q236 PolarHBondContact O-N 3.23Å; R232-D239 IonicContact CZ-OD1 3.8Å; R232-D239 IonicContact CZ-OD2 2.64Å; R232-D239 IonicContact NH1-OD1 3.73Å; R232-D239 PolarHBondContact NH1-OD1 2.96Å; R232-D239 VanDerWaalsContact NH1-OD1 3.07Å; R232-D239 IonicContact NH1-OD2 3.19Å; R232-D239 PolarHBondContact NH1-OD2 2.83Å; R232-E307 WeakPolarHBondContact CD-OE2 3.16Å; R232-E307 IonicContact NE-OE2 3.75Å
233	M	83.3	Confident	77.7	Confident	29 Å²	29	65 Å²	65	14%	0.143	33%	0.327	C	S	.	.	H	α-helix	trans	-70.9	-31.9	179.8	-72.7	-59.4	-68.3	0	0	113.1	Q229 V230 E231 E307 A312 L494 Y523	Q229-M233 PolarHBondContact O-N 3.47Å; Q229-M233 VanDerWaalsContact O-N 3.09Å; V230-M233 PolarHBondContact O-N 2.93Å; E231-M233 PolarHBondContact O-N 3.39Å; M233-E307 HydrophobicContact CG-CB 4.46Å; M233-E307 WeakPolarHBondContact CG-OE2 3.42Å; M233-E307 HydrophobicContact SD-CB 4.18Å; M233-A312 HydrophobicContact CE-CB 3.84Å; M233-L494 HydrophobicContact CB-CD1 4.31Å; M233-L494 HydrophobicContact CG-CD1 3.6Å; M233-Y523 HydrophobicContact CB-CD2 3.82Å; M233-Y523 HydrophobicContact CB-CE2 3.59Å; M233-Y523 HydrophobicContact CE-CE2 4.17Å; M233-Y523 HydrophobicContact CG-CE2 4.19Å
234	R	84.7	Confident	77.4	Confident	57 Å²	57	62.4 Å²	62.4	22%	0.215	32%	0.317	C	S	.	.	H	α-helix	trans	-72.8	-45.4	177.7	-174.2	-171.5	74.3	-165	-7.6	112	V230 E231 L548	V230-R234 VanDerWaalsContact O-CB 3.27Å; V230-R234 WeakPolarHBondContact O-CB 3.05Å; V230-R234 PolarHBondContact O-N 3.32Å; E231-R234 PolarHBondContact O-N 2.91Å; R234-L548 HydrophobicContact CG-CD2 4.11Å
235	D	80.9	Confident	77.1	Confident	27 Å²	27	64.4 Å²	64.4	14%	0.144	33%	0.326	C	S	.	.	H	α-helix	trans	-104.2	-7.9	-169	-56	-25.3	0	0	0	113	E231 V237 Q551 V555	E231-D235 VanDerWaalsContact O-CB 3.28Å; E231-D235 WeakPolarHBondContact O-CB 3.4Å; E231-D235 PolarHBondContact O-N 3.3Å; D235-V237 HydrophobicContact CB-CG2 3.66Å; D235-V237 PolarHBondContact O-N 3.02Å; D235-Q551 WeakPolarHBondContact OD1-CG 3.49Å; D235-V555 WeakPolarHBondContact O-CG2 3.3Å
236	Q	73.8	Confident	77	Confident	105 Å²	105	68 Å²	68	49%	0.491	35%	0.345	S	S	.	.			trans	47.4	30.8	-173.5	-55.6	178.4	7.1	0	0	113.9	R232 V555 N556	R232-Q236 WeakPolarHBondContact O-CA 3.45Å; R232-Q236 PolarHBondContact O-N 3.23Å; Q236-V555 HydrophobicContact CB-CG1 3.43Å; Q236-V555 VanDerWaalsContact CB-CG1 3.43Å; Q236-V555 HydrophobicContact CG-CG1 3.39Å; Q236-N556 PolarHBondContact NE2-OD1 2.72Å
237	V	67.6	Low	77	Confident	77 Å²	77	67.9 Å²	67.9	47%	0.467	35%	0.345	S	S	.	.			trans	-72.7	141.3	178.2	178.5	0	0	0	0	109.7	D235	D235-V237 HydrophobicContact CB-CG2 3.66Å; D235-V237 PolarHBondContact O-N 3.02Å
238	K	61	Low	76.9	Confident	196 Å²	196	65.7 Å²	65.7	85%	0.852	33%	0.334	S	S	*	.			trans	-72.1	132.5	172.9	-69.5	-178.3	179.7	175.9	0	109.7
239	D	57.9	Low	76.9	Confident	85 Å²	85	65.4 Å²	65.4	46%	0.455	33%	0.334	S	S	.	.			trans	-33.1	131.6	-170.9	-93.7	-35	0	0	0	116.2	R232	R232-D239 IonicContact CZ-OD1 3.8Å; R232-D239 IonicContact CZ-OD2 2.64Å; R232-D239 IonicContact NH1-OD1 3.73Å; R232-D239 PolarHBondContact NH1-OD1 2.96Å; R232-D239 VanDerWaalsContact NH1-OD1 3.07Å; R232-D239 IonicContact NH1-OD2 3.19Å; R232-D239 PolarHBondContact NH1-OD2 2.83Å
240	Q	53.8	Low	77	Confident	158 Å²	158	65.1 Å²	65.1	74%	0.738	33%	0.332	S	S	*	.			trans	-94.9	90.2	151.5	-62.7	-176.6	13.7	0	0	107.2	C242	Q240-C242 PolarHBondContact O-N 3.43Å
241	G	57.7	Low	77.1	Confident	35 Å²	35	65.1 Å²	65.1	36%	0.361	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-1.9	-169.1	0	0	0	0	0	117.5	S243 E245	G241-S243 PolarHBondContact O-N 3.04Å; G241-E245 WeakPolarHBondContact O-CG 3.32Å; G241-E245 PolarHBondContact O-N 3.39Å
242	C	62.4	Low	77.1	Confident	78 Å²	78	61.3 Å²	61.3	53%	0.527	32%	0.315	S	S	.	.	H	α-helix	trans	-59.6	-39.4	-171.8	-172.4	0	0	0	0	113.8	Q240 I244 E245 N246	Q240-C242 PolarHBondContact O-N 3.43Å; C242-I244 PolarHBondContact O-N 2.87Å; C242-E245 PolarHBondContact O-N 2.95Å; C242-N246 PolarHBondContact O-N 3.34Å
243	S	73.4	Confident	77.3	Confident	26 Å²	26	57.6 Å²	57.6	18%	0.182	30%	0.302	C	S	.	.	H	α-helix	trans	-71.2	-34.4	-173.6	-57.4	0	0	0	0	113.9	V228 G241	V228-S243 WeakPolarHBondContact CG2-OG 3.42Å; G241-S243 PolarHBondContact O-N 3.04Å
244	I	83.3	Confident	77.6	Confident	60 Å²	60	56.2 Å²	56.2	31%	0.308	30%	0.295	S	S	.	.	H	α-helix	trans	-73.7	-36.8	178.2	-63.1	174.1	0	0	0	110.3	V225 C242 N246 L247 V248 L304 L327	V225-I244 HydrophobicContact CG1-CG1 4.34Å; V225-I244 HydrophobicContact CG2-CG1 4.44Å; C242-I244 PolarHBondContact O-N 2.87Å; I244-N246 VanDerWaalsContact C-N 3.32Å; I244-N246 PolarHBondContact O-N 3.17Å; I244-L247 PolarHBondContact O-N 3.27Å; I244-V248 HydrophobicContact CG2-CG2 4.17Å; I244-V248 WeakPolarHBondContact O-CG2 3.27Å; I244-V248 PolarHBondContact O-N 2.93Å; I244-L304 HydrophobicContact CD1-CD1 4.4Å; I244-L327 HydrophobicContact CG2-CD2 4.42Å
245	E	83.8	Confident	77.9	Confident	135 Å²	135	53.6 Å²	53.6	63%	0.631	29%	0.285	S	S	*	.	H	α-helix	trans	-59.8	-40.9	178.1	-70.8	176.9	-178.8	0	0	112.1	G241 C242 L247 V248 S249	G241-E245 WeakPolarHBondContact O-CG 3.32Å; G241-E245 PolarHBondContact O-N 3.39Å; C242-E245 PolarHBondContact O-N 2.95Å; E245-L247 PolarHBondContact O-N 3.47Å; E245-V248 PolarHBondContact O-N 2.95Å; E245-S249 WeakPolarHBondContact O-CB 3.28Å; E245-S249 PolarHBondContact O-N 3Å
246	N	85.4	Confident	78.4	Confident	76 Å²	76	52.3 Å²	52.3	41%	0.406	28%	0.279	S	S	.	.	H	α-helix	trans	-60.8	-43.2	175	-69.4	-21.9	0	0	0	112.2	L221 C242 I244 S249 F250	L221-N246 HydrophobicContact CD2-CB 4.35Å; C242-N246 PolarHBondContact O-N 3.34Å; I244-N246 VanDerWaalsContact C-N 3.32Å; I244-N246 PolarHBondContact O-N 3.17Å; N246-S249 PolarHBondContact O-N 2.86Å; N246-F250 WeakPolarHBondContact O-CB 3.32Å; N246-F250 PolarHBondContact O-N 3.4Å
247	L	87.4	Confident	79.1	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-66.7	-41.1	178.4	-175.2	62.8	0	0	0	111.8	L221 W222 V225 I244 E245 F250 Y251 L327	L221-L247 HydrophobicContact CB-CD1 3.74Å; L221-L247 HydrophobicContact CD1-CD1 4.24Å; W222-L247 HydrophobicContact CD2-CD2 3.92Å; W222-L247 HydrophobicContact CE3-CD2 4.25Å; W222-L247 HydrophobicContact CG-CD2 4.43Å; W222-L247 HydrophobicContact CH2-CD2 4.26Å; W222-L247 HydrophobicContact CZ2-CD2 3.92Å; W222-L247 HydrophobicContact CZ3-CD2 4.41Å; V225-L247 HydrophobicContact CG2-CB 4.33Å; V225-L247 HydrophobicContact CG2-CD2 3.96Å; I244-L247 PolarHBondContact O-N 3.27Å; E245-L247 PolarHBondContact O-N 3.47Å; L247-F250 WeakPolarHBondContact O-CB 3.26Å; L247-F250 PolarHBondContact O-N 3.29Å; L247-Y251 HydrophobicContact CD1-CD2 4.15Å; L247-Y251 HydrophobicContact CD1-CE2 3.63Å; L247-Y251 HydrophobicContact CD2-CE2 4.41Å; L247-Y251 HydrophobicContact CG-CD2 4.11Å; L247-Y251 HydrophobicContact CG-CE2 3.8Å; L247-Y251 WeakPolarHBondContact O-CD2 3.49Å; L247-Y251 PolarHBondContact O-N 3.34Å; L247-Y251 VanDerWaalsContact O-N 3.08Å; L247-L327 HydrophobicContact CD2-CD1 3.51Å; L247-L327 HydrophobicContact CD2-CD2 4.47Å; L247-L327 HydrophobicContact CG-CD1 3.96Å
248	V	87.1	Confident	80.3	Confident	15 Å²	15	43.8 Å²	43.8	9%	0.091	23%	0.234	C	C	.	.	H	α-helix	trans	-65.6	-41.3	176.1	173.2	0	0	0	0	111.6	I244 E245 F250 Y251 S252 L327 R329	I244-V248 HydrophobicContact CG2-CG2 4.17Å; I244-V248 WeakPolarHBondContact O-CG2 3.27Å; I244-V248 PolarHBondContact O-N 2.93Å; E245-V248 PolarHBondContact O-N 2.95Å; V248-F250 VanDerWaalsContact C-N 3.35Å; V248-Y251 PolarHBondContact O-N 2.96Å; V248-S252 WeakPolarHBondContact O-CB 3.44Å; V248-S252 PolarHBondContact O-N 3.33Å; V248-S252 PolarHBondContact O-OG 3.37Å; V248-L327 HydrophobicContact CG2-CB 4.46Å; V248-L327 HydrophobicContact CG2-CD2 3.81Å; V248-R329 VanDerWaalsContact CG1-NH1 3.29Å
249	S	85.9	Confident	81.8	Confident	32 Å²	32	34.4 Å²	34.4	22%	0.224	19%	0.193	C	C	.	.	H	α-helix	trans	-59.5	-47	174.4	-179.3	0	0	0	0	111	E245 N246 Y251 S252 N253	E245-S249 WeakPolarHBondContact O-CB 3.28Å; E245-S249 PolarHBondContact O-N 3Å; N246-S249 PolarHBondContact O-N 2.86Å; S249-Y251 PolarHBondContact O-N 3.29Å; S249-S252 PolarHBondContact O-N 3.45Å; S249-N253 VanDerWaalsContact O-CB 3.32Å; S249-N253 WeakPolarHBondContact O-CB 3.21Å; S249-N253 VanDerWaalsContact O-CG 3.27Å; S249-N253 PolarHBondContact O-N 2.92Å; S249-N253 PolarHBondContact O-ND2 3.18Å
250	F	88.6	Confident	83.5	Confident	3 Å²	3	30.7 Å²	30.7	1%	0.013	17%	0.173	C	C	.	.	H	α-helix	trans	-55.4	-52.6	176.1	174.2	-90.7	0	0	0	112.4	P147 F213 C214 N217 C218 L221 N246 L247 V248 S252 N253 M254 L298	P147-F250 HydrophobicContact CG-CB 4.3Å; P147-F250 HydrophobicContact CG-CD2 3.6Å; P147-F250 HydrophobicContact CG-CE2 4.43Å; P147-F250 HydrophobicContact CG-CG 4.39Å; F213-F250 HydrophobicContact CE1-CE2 4.45Å; C214-F250 HydrophobicContact CB-CZ 4.33Å; N217-F250 HydrophobicContact CB-CD2 4.46Å; N217-F250 HydrophobicContact CB-CE2 3.62Å; N217-F250 HydrophobicContact CB-CZ 4.04Å; C218-F250 HydrophobicContact CB-CE1 3.94Å; C218-F250 HydrophobicContact CB-CZ 4.29Å; L221-F250 HydrophobicContact CD1-CB 3.6Å; L221-F250 HydrophobicContact CD1-CD1 4.18Å; L221-F250 HydrophobicContact CD1-CD2 3.79Å; L221-F250 HydrophobicContact CD1-CG 3.59Å; N246-F250 WeakPolarHBondContact O-CB 3.32Å; N246-F250 PolarHBondContact O-N 3.4Å; L247-F250 WeakPolarHBondContact O-CB 3.26Å; L247-F250 PolarHBondContact O-N 3.29Å; V248-F250 VanDerWaalsContact C-N 3.35Å; F250-S252 VanDerWaalsContact C-N 3.34Å; F250-S252 PolarHBondContact O-N 3.36Å; F250-N253 PolarHBondContact O-N 3.27Å; F250-M254 HydrophobicContact CD1-CG 4.36Å; F250-M254 HydrophobicContact CD2-CE 4.16Å; F250-M254 HydrophobicContact CD2-CG 4.22Å; F250-M254 HydrophobicContact CE1-CG 4.02Å; F250-M254 HydrophobicContact CE2-CE 3.84Å; F250-M254 HydrophobicContact CE2-CG 3.86Å; F250-M254 HydrophobicContact CE2-SD 4.39Å; F250-M254 HydrophobicContact CG-CG 4.44Å; F250-M254 HydrophobicContact CZ-CG 3.76Å; F250-M254 WeakPolarHBondContact O-CB 3.01Å; F250-M254 VanDerWaalsContact O-CG 3.26Å; F250-M254 WeakPolarHBondContact O-CG 3.43Å; F250-M254 PolarHBondContact O-N 3.49Å; F250-L298 HydrophobicContact CE1-CD1 4.21Å
251	Y	90	Very high	85.3	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61	-42.7	179	-80.5	-66.4	0	0	0	112.4	C218 W222 L247 V248 S249 N253 T255 L298 M299 N301 C302 L327	C218-Y251 PolarHBondContact SG-OH 2.98Å; W222-Y251 PolarHBondContact NE1-OH 3.38Å; L247-Y251 HydrophobicContact CD1-CD2 4.15Å; L247-Y251 HydrophobicContact CD1-CE2 3.63Å; L247-Y251 HydrophobicContact CD2-CE2 4.41Å; L247-Y251 HydrophobicContact CG-CD2 4.11Å; L247-Y251 HydrophobicContact CG-CE2 3.8Å; L247-Y251 WeakPolarHBondContact O-CD2 3.49Å; L247-Y251 PolarHBondContact O-N 3.34Å; L247-Y251 VanDerWaalsContact O-N 3.08Å; V248-Y251 PolarHBondContact O-N 2.96Å; S249-Y251 PolarHBondContact O-N 3.29Å; Y251-N253 PolarHBondContact O-N 3.08Å; Y251-T255 WeakPolarHBondContact O-CB 3Å; Y251-T255 PolarHBondContact O-N 2.94Å; Y251-T255 PolarHBondContact O-OG1 3.14Å; Y251-L298 HydrophobicContact CD1-CD1 4.06Å; Y251-L298 HydrophobicContact CD1-CG 4.06Å; Y251-L298 HydrophobicContact CE1-CD1 4.04Å; Y251-L298 HydrophobicContact CE1-CG 4.22Å; Y251-L298 VanDerWaalsContact CE1-O 3.29Å; Y251-L298 WeakPolarHBondContact CE1-O 3.25Å; Y251-M299 HydrophobicContact CD1-CE 3.57Å; Y251-M299 HydrophobicContact CE1-CE 4.15Å; Y251-M299 HydrophobicContact CG-CE 4.46Å; Y251-N301 PolarHBondContact OH-ND2 2.85Å; Y251-N301 PolarHBondContact OH-O 3.46Å; Y251-N301 VanDerWaalsContact OH-O 3.12Å; Y251-N301 PolarHBondContact OH-OD1 3.39Å; Y251-C302 HydrophobicContact CD1-CB 4.09Å; Y251-C302 HydrophobicContact CE1-CB 3.83Å; Y251-C302 HydrophobicContact CE2-CB 4.37Å; Y251-C302 HydrophobicContact CG-CB 4.46Å; Y251-L327 HydrophobicContact CD2-CB 3.66Å; Y251-L327 HydrophobicContact CD2-CD1 4.09Å; Y251-L327 HydrophobicContact CE2-CB 4Å; Y251-L327 HydrophobicContact CE2-CD1 3.6Å; Y251-L327 HydrophobicContact CE2-CG 4.46Å; Y251-L327 HydrophobicContact CG-CB 4.46Å
252	S	87.1	Confident	87	Confident	5 Å²	5	21.7 Å²	21.7	4%	0.035	12%	0.123	C	C	.	.	H	α-helix	trans	-62.6	-43.8	-179.1	-56.8	0	0	0	0	111.6	Q89 V248 S249 F250 Y256	Q89-S252 PolarHBondContact NE2-OG 2.83Å; V248-S252 WeakPolarHBondContact O-CB 3.44Å; V248-S252 PolarHBondContact O-N 3.33Å; V248-S252 PolarHBondContact O-OG 3.37Å; S249-S252 PolarHBondContact O-N 3.45Å; F250-S252 VanDerWaalsContact C-N 3.34Å; F250-S252 PolarHBondContact O-N 3.36Å; S252-Y256 WeakPolarHBondContact O-CB 3.06Å; S252-Y256 PolarHBondContact O-N 3.34Å
253	N	87.4	Confident	88.5	Confident	11 Å²	11	18.1 Å²	18.1	6%	0.059	10%	0.098	C	C	.	.	H	α-helix	trans	-65.9	-48.2	179.1	-78.4	-12.6	0	0	0	112.7	P145 S249 F250 Y251 T255 Y256 V257	P145-N253 HydrophobicContact CB-CB 4.39Å; P145-N253 HydrophobicContact CG-CB 4.23Å; P145-N253 VanDerWaalsContact O-CB 3.26Å; P145-N253 WeakPolarHBondContact O-CB 3.22Å; S249-N253 VanDerWaalsContact O-CB 3.32Å; S249-N253 WeakPolarHBondContact O-CB 3.21Å; S249-N253 VanDerWaalsContact O-CG 3.27Å; S249-N253 PolarHBondContact O-N 2.92Å; S249-N253 PolarHBondContact O-ND2 3.18Å; F250-N253 PolarHBondContact O-N 3.27Å; Y251-N253 PolarHBondContact O-N 3.08Å; N253-T255 VanDerWaalsContact C-N 3.33Å; N253-T255 PolarHBondContact O-N 3.01Å; N253-Y256 WeakPolarHBondContact O-CB 3.34Å; N253-Y256 PolarHBondContact O-N 3.37Å; N253-V257 WeakPolarHBondContact O-CG2 3.43Å; N253-V257 PolarHBondContact O-N 3.29Å
254	M	89.9	Confident	89.5	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63.2	-41.9	177.9	-69.8	-56.3	142.8	0	0	111.4	F146 P147 Y210 F213 F250 Y256 V257 L258 L298	F146-M254 HydrophobicContact CD1-CE 3.59Å; F146-M254 HydrophobicContact CD1-SD 4.26Å; F146-M254 HydrophobicContact CE1-CE 4.06Å; F146-M254 HydrophobicContact CE1-SD 4.12Å; P147-M254 HydrophobicContact CG-CE 3.9Å; Y210-M254 HydrophobicContact CE2-SD 3.95Å; Y210-M254 VanDerWaalsContact OH-CB 3.29Å; Y210-M254 WeakPolarHBondContact OH-CB 3.36Å; Y210-M254 PolarHBondContact OH-O 3.45Å; F213-M254 HydrophobicContact CD1-CE 4.32Å; F213-M254 HydrophobicContact CD1-SD 4.35Å; F213-M254 HydrophobicContact CE1-CE 3.63Å; F213-M254 HydrophobicContact CE1-SD 4.23Å; F250-M254 HydrophobicContact CD1-CG 4.36Å; F250-M254 HydrophobicContact CD2-CE 4.16Å; F250-M254 HydrophobicContact CD2-CG 4.22Å; F250-M254 HydrophobicContact CE1-CG 4.02Å; F250-M254 HydrophobicContact CE2-CE 3.84Å; F250-M254 HydrophobicContact CE2-CG 3.86Å; F250-M254 HydrophobicContact CE2-SD 4.39Å; F250-M254 HydrophobicContact CG-CG 4.44Å; F250-M254 HydrophobicContact CZ-CG 3.76Å; F250-M254 WeakPolarHBondContact O-CB 3.01Å; F250-M254 VanDerWaalsContact O-CG 3.26Å; F250-M254 WeakPolarHBondContact O-CG 3.43Å; F250-M254 PolarHBondContact O-N 3.49Å; M254-Y256 VanDerWaalsContact C-N 3.29Å; M254-Y256 PolarHBondContact O-N 3.32Å; M254-V257 PolarHBondContact O-N 3.43Å; M254-L258 PolarHBondContact O-N 2.98Å; M254-L298 HydrophobicContact CB-CD1 4.19Å; M254-L298 HydrophobicContact CB-CD2 3.68Å
255	T	91.6	Very high	90	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.012	9%	0.089	C	C	.	.	H	α-helix	trans	-65.2	-32.6	177	-54.5	0	0	0	0	112	T96 W100 Y251 N253 A259 L295	T96-T255 HydrophobicContact CG2-CG2 3.49Å; T96-T255 VanDerWaalsContact CG2-CG2 3.49Å; W100-T255 PolarHBondContact NE1-O 3.03Å; Y251-T255 WeakPolarHBondContact O-CB 3Å; Y251-T255 PolarHBondContact O-N 2.94Å; Y251-T255 PolarHBondContact O-OG1 3.14Å; N253-T255 VanDerWaalsContact C-N 3.33Å; N253-T255 PolarHBondContact O-N 3.01Å; T255-A259 VanDerWaalsContact O-CB 3.31Å; T255-A259 WeakPolarHBondContact O-CB 3.45Å; T255-A259 PolarHBondContact O-N 2.93Å; T255-A259 VanDerWaalsContact O-N 3.08Å; T255-L295 HydrophobicContact CG2-CD1 3.82Å
256	Y	90.7	Very high	90.4	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-66	-47.2	171.8	173.2	-92.3	0	0	0	112.2	F91 Y92 W95 T96 R141 L144 P145 S252 N253 M254 L258 A259 V260	F91-Y256 HydrophobicContact CE1-CE2 4.13Å; Y92-Y256 AromaticContact CD1-CD1 3.99Å; Y92-Y256 HydrophobicContact CD1-CD1 3.99Å; Y92-Y256 AromaticContact CD1-CD2 3.64Å; Y92-Y256 HydrophobicContact CD1-CD2 3.64Å; Y92-Y256 HydrophobicContact CD1-CE1 4.12Å; Y92-Y256 AromaticContact CD1-CE2 3.77Å; Y92-Y256 HydrophobicContact CD1-CE2 3.77Å; Y92-Y256 AromaticContact CD1-CG 3.76Å; Y92-Y256 HydrophobicContact CD1-CG 3.76Å; Y92-Y256 HydrophobicContact CE1-CD1 4.1Å; Y92-Y256 HydrophobicContact CE1-CD2 4.35Å; Y92-Y256 AromaticContact CE1-CE1 3.89Å; Y92-Y256 HydrophobicContact CE1-CE1 3.89Å; Y92-Y256 HydrophobicContact CE1-CE2 4.15Å; Y92-Y256 HydrophobicContact CE1-CG 4.33Å; Y92-Y256 AromaticContact CE1-CZ 3.92Å; W95-Y256 HydrophobicContact CD2-CD2 4.07Å; W95-Y256 AromaticContact CD2-CE2 3.71Å; W95-Y256 HydrophobicContact CD2-CE2 3.71Å; W95-Y256 AromaticContact CE3-CD2 3.34Å; W95-Y256 HydrophobicContact CE3-CD2 3.34Å; W95-Y256 AromaticContact CE3-CE2 3.41Å; W95-Y256 HydrophobicContact CE3-CE2 3.41Å; W95-Y256 VanDerWaalsContact CE3-CE2 3.41Å; W95-Y256 HydrophobicContact CG-CE2 4.27Å; W95-Y256 HydrophobicContact CH2-CE2 4.37Å; W95-Y256 AromaticContact CZ3-CD2 3.67Å; W95-Y256 HydrophobicContact CZ3-CD2 3.67Å; W95-Y256 AromaticContact CZ3-CE2 3.74Å; W95-Y256 HydrophobicContact CZ3-CE2 3.74Å; T96-Y256 WeakPolarHBondContact OG1-CA 3.38Å; T96-Y256 WeakPolarHBondContact OG1-CB 3.48Å; R141-Y256 PolarHBondContact N-OH 3.13Å; L144-Y256 HydrophobicContact CD2-CE1 4.14Å; P145-Y256 VanDerWaalsContact CD-CD1 3.44Å; P145-Y256 HydrophobicContact CG-CD1 3.69Å; P145-Y256 HydrophobicContact CG-CE1 4.22Å; P145-Y256 HydrophobicContact CG-CG 4.37Å; S252-Y256 WeakPolarHBondContact O-CB 3.06Å; S252-Y256 PolarHBondContact O-N 3.34Å; N253-Y256 WeakPolarHBondContact O-CB 3.34Å; N253-Y256 PolarHBondContact O-N 3.37Å; M254-Y256 VanDerWaalsContact C-N 3.29Å; M254-Y256 PolarHBondContact O-N 3.32Å; Y256-L258 VanDerWaalsContact C-N 3.33Å; Y256-L258 PolarHBondContact O-N 3.34Å; Y256-A259 WeakPolarHBondContact O-CB 3.38Å; Y256-A259 PolarHBondContact O-N 3.37Å; Y256-A259 VanDerWaalsContact O-N 3.09Å; Y256-V260 HydrophobicContact CD1-CG2 4.34Å; Y256-V260 HydrophobicContact CE1-CG2 3.86Å; Y256-V260 HydrophobicContact CE2-CG2 4.19Å; Y256-V260 PolarHBondContact O-N 2.92Å
257	V	89.9	Confident	90.7	Very high	2 Å²	2	8 Å²	8	1%	0.012	4%	0.043	C	C	.	.	H	α-helix	trans	-55.6	-48	179.4	171.5	0	0	0	0	111	L144 F146 M163 Y210 N253 M254	L144-V257 HydrophobicContact CB-CG2 4.21Å; L144-V257 HydrophobicContact CD1-CG1 4.27Å; L144-V257 HydrophobicContact CD2-CG2 4.21Å; F146-V257 HydrophobicContact CE1-CG2 4.21Å; F146-V257 HydrophobicContact CE2-CG2 4.02Å; F146-V257 HydrophobicContact CZ-CB 4.5Å; F146-V257 HydrophobicContact CZ-CG1 3.95Å; F146-V257 HydrophobicContact CZ-CG2 3.78Å; M163-V257 HydrophobicContact CE-CG1 3.91Å; M163-V257 HydrophobicContact CG-CG1 4.46Å; M163-V257 HydrophobicContact SD-CG1 4.23Å; Y210-V257 HydrophobicContact CD2-CG1 4.39Å; Y210-V257 HydrophobicContact CE2-CB 4.36Å; Y210-V257 HydrophobicContact CE2-CG1 4.12Å; N253-V257 WeakPolarHBondContact O-CG2 3.43Å; N253-V257 PolarHBondContact O-N 3.29Å; M254-V257 PolarHBondContact O-N 3.43Å
258	L	92.6	Very high	90.8	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-67.4	-36.5	176.4	-75	178.5	0	0	0	113.1	W100 L207 Y210 M254 Y256 V260 L261 G262 V291 A294 L295	W100-L258 HydrophobicContact CH2-CB 4.23Å; W100-L258 HydrophobicContact CZ2-CB 3.78Å; L207-L258 HydrophobicContact CD2-CD2 3.8Å; Y210-L258 HydrophobicContact CD1-CD1 4.32Å; Y210-L258 HydrophobicContact CD1-CD2 4.04Å; Y210-L258 HydrophobicContact CD1-CG 4.33Å; Y210-L258 HydrophobicContact CE1-CD1 3.44Å; Y210-L258 VanDerWaalsContact CE1-CD1 3.44Å; Y210-L258 HydrophobicContact CE1-CD2 3.88Å; Y210-L258 HydrophobicContact CE1-CG 3.67Å; Y210-L258 HydrophobicContact CE2-CD2 4.33Å; Y210-L258 HydrophobicContact CE2-CG 4.02Å; Y210-L258 HydrophobicContact CG-CD2 4.36Å; Y210-L258 VanDerWaalsContact CZ-CG 3.46Å; Y210-L258 WeakPolarHBondContact OH-CD1 3.18Å; Y210-L258 WeakPolarHBondContact OH-CG 3.46Å; M254-L258 PolarHBondContact O-N 2.98Å; Y256-L258 VanDerWaalsContact C-N 3.33Å; Y256-L258 PolarHBondContact O-N 3.34Å; L258-V260 VanDerWaalsContact C-N 3.32Å; L258-V260 PolarHBondContact O-N 3.23Å; L258-L261 PolarHBondContact O-N 3.47Å; L258-G262 PolarHBondContact O-N 3.27Å; L258-V291 HydrophobicContact CD2-CG1 4.45Å; L258-A294 HydrophobicContact CD1-CB 4.19Å; L258-A294 HydrophobicContact CD2-CB 4.24Å; L258-L295 HydrophobicContact CD1-CB 4.12Å
259	A	92.8	Very high	91	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-63.4	-37.8	179.5	0	0	0	0	0	112.4	W95 T99 W100 T255 Y256 L261 G262 A263	W95-A259 HydrophobicContact CE3-CB 4.5Å; W95-A259 HydrophobicContact CH2-CB 4.16Å; W95-A259 HydrophobicContact CZ3-CB 3.52Å; T99-A259 HydrophobicContact CG2-CB 3.89Å; W100-A259 HydrophobicContact CD2-CB 4.36Å; W100-A259 HydrophobicContact CZ2-CB 3.92Å; T255-A259 VanDerWaalsContact O-CB 3.31Å; T255-A259 WeakPolarHBondContact O-CB 3.45Å; T255-A259 PolarHBondContact O-N 2.93Å; T255-A259 VanDerWaalsContact O-N 3.08Å; Y256-A259 WeakPolarHBondContact O-CB 3.38Å; Y256-A259 PolarHBondContact O-N 3.37Å; Y256-A259 VanDerWaalsContact O-N 3.09Å; A259-L261 VanDerWaalsContact C-N 3.32Å; A259-L261 PolarHBondContact O-N 3.49Å; A259-G262 PolarHBondContact O-N 2.85Å; A259-A263 VanDerWaalsContact O-CB 3.25Å; A259-A263 WeakPolarHBondContact O-CB 3.43Å; A259-A263 PolarHBondContact O-N 2.76Å
260	V	91.9	Very high	91.1	Very high	6 Å²	6	7.4 Å²	7.4	4%	0.036	4%	0.035	C	C	.	.	H	α-helix	trans	-58.6	-45.8	175.2	170.2	0	0	0	0	110.9	W95 M167 Y256 L258 R264	W95-V260 HydrophobicContact CH2-CB 4.38Å; W95-V260 HydrophobicContact CH2-CG2 3.62Å; W95-V260 HydrophobicContact CZ2-CG2 4.32Å; W95-V260 HydrophobicContact CZ3-CG2 4.01Å; M167-V260 HydrophobicContact CE-CG1 3.4Å; M167-V260 HydrophobicContact SD-CG1 4.49Å; Y256-V260 HydrophobicContact CD1-CG2 4.34Å; Y256-V260 HydrophobicContact CE1-CG2 3.86Å; Y256-V260 HydrophobicContact CE2-CG2 4.19Å; Y256-V260 PolarHBondContact O-N 2.92Å; L258-V260 VanDerWaalsContact C-N 3.32Å; L258-V260 PolarHBondContact O-N 3.23Å; V260-R264 WeakPolarHBondContact O-CG 3.33Å; V260-R264 PolarHBondContact O-N 3.3Å
261	L	92.7	Very high	91	Very high	2 Å²	2	9.3 Å²	9.3	1%	0.01	5%	0.045	C	C	.	.	H	α-helix	trans	-66.6	-46.9	177.3	-177.3	59.6	0	0	0	111.7	T166 M167 L203 L207 L258 A259 A263 R264 L265 V291	T166-L261 HydrophobicContact CG2-CD1 4.24Å; M167-L261 HydrophobicContact SD-CD1 4.22Å; L203-L261 HydrophobicContact CD1-CD1 4.1Å; L203-L261 HydrophobicContact CD1-CD2 3.7Å; L203-L261 HydrophobicContact CD1-CG 4.23Å; L207-L261 HydrophobicContact CD2-CD2 4.01Å; L258-L261 PolarHBondContact O-N 3.47Å; A259-L261 VanDerWaalsContact C-N 3.32Å; A259-L261 PolarHBondContact O-N 3.49Å; L261-A263 PolarHBondContact O-N 3.12Å; L261-R264 PolarHBondContact O-N 3.29Å; L261-L265 HydrophobicContact CD1-CD1 4.24Å; L261-L265 HydrophobicContact CD1-CG 4.47Å; L261-L265 HydrophobicContact CG-CD1 4.16Å; L261-L265 WeakPolarHBondContact O-CG 3.34Å; L261-L265 PolarHBondContact O-N 2.96Å; L261-V291 HydrophobicContact CD2-CG2 3.98Å; L261-V291 HydrophobicContact CG-CG2 4.11Å
262	G	93.9	Very high	90.9	Very high	3 Å²	3	9.3 Å²	9.3	3%	0.031	5%	0.045	C	C	.	.	H	α-helix	trans	-61.3	-42.4	179	0	0	0	0	0	113.3	L258 A259 L265 Q266	L258-G262 PolarHBondContact O-N 3.27Å; A259-G262 PolarHBondContact O-N 2.85Å; G262-L265 PolarHBondContact O-N 2.6Å; G262-Q266 WeakPolarHBondContact O-CB 3.44Å; G262-Q266 PolarHBondContact O-N 3.01Å
263	A	94	Very high	90.6	Very high	2 Å²	2	10.5 Å²	10.5	2%	0.017	5%	0.052	C	C	.	.	H	α-helix	trans	-65.1	-41.8	177.6	0	0	0	0	0	112.3	T99 L133 V137 A259 L261 Q266 G267	T99-A263 HydrophobicContact CG2-CB 3.83Å; L133-A263 HydrophobicContact CD2-CB 4.36Å; V137-A263 HydrophobicContact CG2-CB 3.55Å; A259-A263 VanDerWaalsContact O-CB 3.25Å; A259-A263 WeakPolarHBondContact O-CB 3.43Å; A259-A263 PolarHBondContact O-N 2.76Å; L261-A263 PolarHBondContact O-N 3.12Å; A263-Q266 PolarHBondContact O-N 3.42Å; A263-G267 PolarHBondContact O-N 3.38Å
264	R	92.9	Very high	90.3	Very high	75 Å²	75	12.4 Å²	12.4	28%	0.283	6%	0.064	S	C	.	.	H	α-helix	trans	-68.5	-39.2	177.7	-72.9	-174.4	-174.9	-132.7	2.6	113	V137 M167 L170 Y174 V260 L261 G267 F268	V137-R264 HydrophobicContact CG1-CG 3.74Å; V137-R264 HydrophobicContact CG2-CG 4.08Å; M167-R264 VanDerWaalsContact CE-CD 3.43Å; M167-R264 VanDerWaalsContact CE-NE 3.26Å; L170-R264 HydrophobicContact CD2-CB 3.83Å; Y174-R264 PolarHBondContact OH-O 3.21Å; V260-R264 WeakPolarHBondContact O-CG 3.33Å; V260-R264 PolarHBondContact O-N 3.3Å; L261-R264 PolarHBondContact O-N 3.29Å; R264-G267 PolarHBondContact O-N 3.17Å; R264-F268 WeakPolarHBondContact O-CB 3.21Å; R264-F268 PolarHBondContact O-N 3.11Å
265	L	93.8	Very high	89.9	Confident	1 Å²	1	16.8 Å²	16.8	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-65.6	-39.5	173.6	-75.3	171.2	0	0	0	111.5	L170 F198 L203 L261 G262 F268 R269 V284 V291	L170-L265 HydrophobicContact CD1-CD2 3.95Å; L170-L265 HydrophobicContact CD2-CD2 4.13Å; L170-L265 HydrophobicContact CD2-CG 4.32Å; F198-L265 HydrophobicContact CE1-CD2 4.37Å; L203-L265 HydrophobicContact CD1-CD1 4.45Å; L203-L265 HydrophobicContact CD2-CD1 4.11Å; L261-L265 HydrophobicContact CD1-CD1 4.24Å; L261-L265 HydrophobicContact CD1-CG 4.47Å; L261-L265 HydrophobicContact CG-CD1 4.16Å; L261-L265 WeakPolarHBondContact O-CG 3.34Å; L261-L265 PolarHBondContact O-N 2.96Å; G262-L265 PolarHBondContact O-N 2.6Å; L265-F268 WeakPolarHBondContact O-CB 3.5Å; L265-F268 PolarHBondContact O-N 3.38Å; L265-R269 VanDerWaalsContact O-CB 3.26Å; L265-R269 WeakPolarHBondContact O-CB 3.49Å; L265-R269 PolarHBondContact O-N 2.74Å; L265-V284 HydrophobicContact CD2-CG1 4.29Å; L265-V291 HydrophobicContact CD1-CG2 3.77Å
266	Q	92.6	Very high	89.4	Confident	2 Å²	2	20 Å²	20	1%	0.009	10%	0.101	C	C	.	.	H	α-helix	trans	-65.3	-41.2	176.1	178.6	52.1	45	0	0	112.3	L103 T106 Y126 N130 L133 G262 A263 F268 R269 Y270	L103-Q266 HydrophobicContact CD2-CB 3.61Å; L103-Q266 HydrophobicContact CD2-CG 3.87Å; T106-Q266 HydrophobicContact CG2-CG 3.97Å; T106-Q266 VanDerWaalsContact CG2-NE2 3.31Å; Y126-Q266 PolarHBondContact OH-NE2 2.89Å; Y126-Q266 VanDerWaalsContact OH-NE2 3.07Å; N130-Q266 PolarHBondContact OD1-NE2 3.39Å; L133-Q266 HydrophobicContact CD1-CB 4.2Å; L133-Q266 HydrophobicContact CD1-CG 3.61Å; G262-Q266 WeakPolarHBondContact O-CB 3.44Å; G262-Q266 PolarHBondContact O-N 3.01Å; A263-Q266 PolarHBondContact O-N 3.42Å; Q266-F268 VanDerWaalsContact C-N 3.29Å; Q266-F268 PolarHBondContact O-N 3.07Å; Q266-R269 PolarHBondContact O-N 3.27Å; Q266-Y270 WeakPolarHBondContact O-CB 3.32Å; Q266-Y270 PolarHBondContact O-N 3.03Å
267	G	90.9	Very high	88.9	Confident	7 Å²	7	27.1 Å²	27.1	7%	0.072	13%	0.132	C	C	.	.	H	α-helix	trans	-60	-39.9	171.3	0	0	0	0	0	112.4	Y174 A263 R264 Y270 D271	Y174-G267 VanDerWaalsContact OH-C 3.22Å; A263-G267 PolarHBondContact O-N 3.38Å; R264-G267 PolarHBondContact O-N 3.17Å; G267-Y270 WeakPolarHBondContact O-CB 3.32Å; G267-Y270 PolarHBondContact O-N 3.41Å; G267-D271 PolarHBondContact O-N 3.26Å
268	F	91.2	Very high	88.3	Confident	1 Å²	1	29.5 Å²	29.5	0%	0.004	14%	0.142	C	C	.	.	H	α-helix	trans	-68.6	-44.4	-177.8	-177.7	-112.2	0	0	0	110.4	L170 L173 Y174 M177 F191 L195 R264 L265 Q266 Y270 D271 L272 V284	L170-F268 HydrophobicContact CD1-CD1 4.43Å; L170-F268 HydrophobicContact CD1-CG 4.32Å; L173-F268 HydrophobicContact CB-CE2 4.19Å; L173-F268 HydrophobicContact CB-CZ 4.06Å; Y174-F268 AromaticContact CD1-CD2 3.86Å; Y174-F268 HydrophobicContact CD1-CD2 3.86Å; Y174-F268 AromaticContact CD2-CD2 3.73Å; Y174-F268 HydrophobicContact CD2-CD2 3.73Å; Y174-F268 HydrophobicContact CD2-CE2 4.41Å; Y174-F268 HydrophobicContact CD2-CG 4.44Å; Y174-F268 HydrophobicContact CE1-CB 4.13Å; Y174-F268 AromaticContact CE1-CD2 3.8Å; Y174-F268 HydrophobicContact CE1-CD2 3.8Å; Y174-F268 HydrophobicContact CE1-CG 4.47Å; Y174-F268 HydrophobicContact CE2-CB 3.62Å; Y174-F268 AromaticContact CE2-CD2 3.67Å; Y174-F268 HydrophobicContact CE2-CD2 3.67Å; Y174-F268 AromaticContact CE2-CG 3.99Å; Y174-F268 HydrophobicContact CE2-CG 3.99Å; Y174-F268 AromaticContact CG-CD2 3.85Å; Y174-F268 HydrophobicContact CG-CD2 3.85Å; Y174-F268 HydrophobicContact CG-CE2 4.35Å; Y174-F268 VanDerWaalsContact CZ-CA 3.5Å; Y174-F268 VanDerWaalsContact CZ-CB 3.43Å; Y174-F268 AromaticContact CZ-CD2 3.74Å; Y174-F268 WeakPolarHBondContact OH-CA 3.2Å; Y174-F268 WeakPolarHBondContact OH-CB 3.25Å; Y174-F268 PolarHBondContact OH-N 3.15Å; M177-F268 HydrophobicContact CB-CE2 4.46Å; M177-F268 HydrophobicContact SD-CD2 4.3Å; M177-F268 HydrophobicContact SD-CE2 3.97Å; F191-F268 HydrophobicContact CZ-CZ 4.04Å; L195-F268 HydrophobicContact CD1-CE1 3.62Å; L195-F268 HydrophobicContact CD1-CZ 4.19Å; L195-F268 HydrophobicContact CD2-CE1 4.38Å; R264-F268 WeakPolarHBondContact O-CB 3.21Å; R264-F268 PolarHBondContact O-N 3.11Å; L265-F268 WeakPolarHBondContact O-CB 3.5Å; L265-F268 PolarHBondContact O-N 3.38Å; Q266-F268 VanDerWaalsContact C-N 3.29Å; Q266-F268 PolarHBondContact O-N 3.07Å; F268-Y270 VanDerWaalsContact C-N 3.32Å; F268-Y270 PolarHBondContact O-N 3.44Å; F268-D271 PolarHBondContact O-N 3.25Å; F268-L272 HydrophobicContact CD1-CD1 3.78Å; F268-L272 HydrophobicContact CE1-CD1 3.26Å; F268-L272 HydrophobicContact CE1-CG 4.24Å; F268-L272 HydrophobicContact CE2-CD1 4.23Å; F268-L272 HydrophobicContact CE2-CG 4.42Å; F268-L272 HydrophobicContact CG-CD1 4.44Å; F268-L272 HydrophobicContact CZ-CD1 3.54Å; F268-L272 HydrophobicContact CZ-CG 4.17Å; F268-L272 WeakPolarHBondContact O-CG 3.27Å; F268-L272 PolarHBondContact O-N 2.9Å; F268-V284 HydrophobicContact CD1-CG1 4.39Å; F268-V284 HydrophobicContact CD1-CG2 3.82Å; F268-V284 HydrophobicContact CE1-CG2 4.02Å
269	R	89.9	Confident	87.6	Confident	4 Å²	4	30.6 Å²	30.6	2%	0.015	15%	0.148	C	C	.	.	H	α-helix	trans	-57	-44	172.5	-177.5	-177	-178.6	-166.1	7.2	111.6	N107 L265 Q266 L272 T273 D282 V284	N107-R269 PolarHBondContact OD1-NH1 3.38Å; L265-R269 VanDerWaalsContact O-CB 3.26Å; L265-R269 WeakPolarHBondContact O-CB 3.49Å; L265-R269 PolarHBondContact O-N 2.74Å; Q266-R269 PolarHBondContact O-N 3.27Å; R269-L272 PolarHBondContact O-N 3.48Å; R269-T273 WeakPolarHBondContact O-CB 3.41Å; R269-T273 WeakPolarHBondContact O-CG2 3.43Å; R269-T273 PolarHBondContact O-N 2.94Å; R269-T273 PolarHBondContact O-OG1 3.2Å; R269-D282 IonicContact CZ-OD2 2.89Å; R269-D282 IonicContact NE-OD1 3.41Å; R269-D282 IonicContact NE-OD2 3.18Å; R269-D282 PolarHBondContact NE-OD2 3.03Å; R269-D282 IonicContact NH2-OD2 3.95Å; R269-D282 PolarHBondContact NH2-OD2 2.91Å; R269-V284 HydrophobicContact CB-CB 3.95Å; R269-V284 HydrophobicContact CB-CG1 4.05Å; R269-V284 HydrophobicContact CB-CG2 4.31Å; R269-V284 HydrophobicContact CG-CB 4.1Å
270	Y	88.4	Confident	86.8	Confident	29 Å²	29	39.1 Å²	39.1	11%	0.114	19%	0.193	C	C	.	.	H	α-helix	trans	-61.1	-48.4	176.9	179.6	-103.6	0	0	0	111.9	Y126 S127 N130 Q266 G267 F268 L272 T273 V274 N275	Y126-Y270 AromaticContact CD1-CD2 3.88Å; Y126-Y270 HydrophobicContact CD1-CD2 3.88Å; Y126-Y270 AromaticContact CD1-CE2 3.64Å; Y126-Y270 HydrophobicContact CD1-CE2 3.64Å; Y126-Y270 AromaticContact CE1-CD2 3.37Å; Y126-Y270 HydrophobicContact CE1-CD2 3.37Å; Y126-Y270 AromaticContact CE1-CE2 3.64Å; Y126-Y270 HydrophobicContact CE1-CE2 3.64Å; S127-Y270 WeakPolarHBondContact CB-OH 3.34Å; S127-Y270 PolarHBondContact OG-OH 3.27Å; N130-Y270 HydrophobicContact CB-CD1 4.07Å; N130-Y270 HydrophobicContact CB-CD2 3.95Å; N130-Y270 HydrophobicContact CB-CE1 4.32Å; N130-Y270 HydrophobicContact CB-CE2 4.25Å; N130-Y270 HydrophobicContact CB-CG 3.87Å; N130-Y270 VanDerWaalsContact CG-CD2 3.45Å; N130-Y270 WeakPolarHBondContact ND2-CD2 3.39Å; N130-Y270 WeakPolarHBondContact OD1-CB 3.46Å; Q266-Y270 WeakPolarHBondContact O-CB 3.32Å; Q266-Y270 PolarHBondContact O-N 3.03Å; G267-Y270 WeakPolarHBondContact O-CB 3.32Å; G267-Y270 PolarHBondContact O-N 3.41Å; F268-Y270 VanDerWaalsContact C-N 3.32Å; F268-Y270 PolarHBondContact O-N 3.44Å; Y270-L272 VanDerWaalsContact C-N 3.34Å; Y270-L272 PolarHBondContact O-N 3.23Å; Y270-T273 PolarHBondContact O-N 3.03Å; Y270-V274 HydrophobicContact CD2-CB 4.04Å; Y270-V274 HydrophobicContact CD2-CG2 3.96Å; Y270-V274 HydrophobicContact CE2-CB 3.85Å; Y270-V274 HydrophobicContact CE2-CG1 3.86Å; Y270-V274 HydrophobicContact CE2-CG2 3.99Å; Y270-V274 WeakPolarHBondContact O-CB 3.45Å; Y270-V274 PolarHBondContact O-N 3.49Å; Y270-N275 WeakPolarHBondContact CE1-ND2 3.32Å; Y270-N275 PolarHBondContact O-N 3.41Å
271	D	87.6	Confident	86.3	Confident	43 Å²	43	44.3 Å²	44.3	23%	0.23	22%	0.215	C	C	.	.	I	π-helix	trans	-61.6	-42.7	179.4	-79.6	-22.5	0	0	0	112.2	M177 G267 F268 N275 K276	M177-D271 HydrophobicContact CE-CB 3.77Å; M177-D271 HydrophobicContact SD-CB 4.02Å; G267-D271 PolarHBondContact O-N 3.26Å; F268-D271 PolarHBondContact O-N 3.25Å; D271-N275 WeakPolarHBondContact O-CB 3.35Å; D271-N275 PolarHBondContact O-N 3.37Å; D271-N275 PolarHBondContact OD1-ND2 3.15Å; D271-K276 WeakPolarHBondContact O-CB 3.36Å; D271-K276 WeakPolarHBondContact O-CG 3.08Å; D271-K276 PolarHBondContact O-N 2.79Å
272	L	86.4	Confident	86	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.005	22%	0.223	C	C	.	.	I	π-helix	trans	-67.9	-44.8	179.4	-75.9	178.1	0	0	0	113.4	M177 F191 L195 F268 R269 Y270 K277 F278 F279 P283 V284	M177-L272 HydrophobicContact CG-CD2 3.86Å; M177-L272 HydrophobicContact SD-CD2 3.51Å; M177-L272 VanDerWaalsContact SD-CD2 3.51Å; M177-L272 HydrophobicContact SD-CG 3.82Å; F191-L272 HydrophobicContact CE1-CD2 3.91Å; F191-L272 HydrophobicContact CZ-CD2 4.49Å; L195-L272 HydrophobicContact CD2-CD1 4.25Å; F268-L272 HydrophobicContact CD1-CD1 3.78Å; F268-L272 HydrophobicContact CE1-CD1 3.26Å; F268-L272 HydrophobicContact CE1-CG 4.24Å; F268-L272 HydrophobicContact CE2-CD1 4.23Å; F268-L272 HydrophobicContact CE2-CG 4.42Å; F268-L272 HydrophobicContact CG-CD1 4.44Å; F268-L272 HydrophobicContact CZ-CD1 3.54Å; F268-L272 HydrophobicContact CZ-CG 4.17Å; F268-L272 WeakPolarHBondContact O-CG 3.27Å; F268-L272 PolarHBondContact O-N 2.9Å; R269-L272 PolarHBondContact O-N 3.48Å; Y270-L272 VanDerWaalsContact C-N 3.34Å; Y270-L272 PolarHBondContact O-N 3.23Å; L272-K277 VanDerWaalsContact O-CA 3.27Å; L272-K277 WeakPolarHBondContact O-CA 3.47Å; L272-K277 PolarHBondContact O-N 3.38Å; L272-F278 HydrophobicContact CD2-CD2 3.55Å; L272-F278 HydrophobicContact CD2-CE2 4.2Å; L272-F278 HydrophobicContact CD2-CG 4.45Å; L272-F278 PolarHBondContact O-N 3.28Å; L272-F279 HydrophobicContact CD2-CE2 4.48Å; L272-P283 HydrophobicContact CD1-CG 4.4Å; L272-V284 HydrophobicContact CD1-CG2 3.81Å
273	T	82.4	Confident	85.5	Confident	29 Å²	29	46.5 Å²	46.5	18%	0.178	23%	0.228	C	C	.	.	I	π-helix	trans	-91.2	-31.9	-169.4	59.4	0	0	0	0	113.4	R269 Y270	R269-T273 WeakPolarHBondContact O-CB 3.41Å; R269-T273 WeakPolarHBondContact O-CG2 3.43Å; R269-T273 PolarHBondContact O-N 2.94Å; R269-T273 PolarHBondContact O-OG1 3.2Å; Y270-T273 PolarHBondContact O-N 3.03Å
274	V	81.2	Confident	85.3	Confident	52 Å²	52	46.4 Å²	46.4	32%	0.315	23%	0.227	S	C	.	.	I	π-helix	trans	-106.2	-49.5	-175.3	-178.8	0	0	0	0	112.2	Y126 Y270 K277	Y126-V274 HydrophobicContact CD1-CG2 4.3Å; Y126-V274 HydrophobicContact CE1-CG2 3.8Å; Y270-V274 HydrophobicContact CD2-CB 4.04Å; Y270-V274 HydrophobicContact CD2-CG2 3.96Å; Y270-V274 HydrophobicContact CE2-CB 3.85Å; Y270-V274 HydrophobicContact CE2-CG1 3.86Å; Y270-V274 HydrophobicContact CE2-CG2 3.99Å; Y270-V274 WeakPolarHBondContact O-CB 3.45Å; Y270-V274 PolarHBondContact O-N 3.49Å; V274-K277 VanDerWaalsContact O-CE 3.3Å; V274-K277 WeakPolarHBondContact O-CE 3.32Å; V274-K277 WeakPolarHBondContact O-CG 3.39Å
275	N	80.7	Confident	85.1	Confident	91 Å²	91	44.4 Å²	44.4	49%	0.487	22%	0.223	S	C	.	.	I	π-helix	trans	-77.9	-53.2	-173.8	-69.5	-21.1	0	0	0	111.8	Y270 D271	Y270-N275 WeakPolarHBondContact CE1-ND2 3.32Å; Y270-N275 PolarHBondContact O-N 3.41Å; D271-N275 WeakPolarHBondContact O-CB 3.35Å; D271-N275 PolarHBondContact O-N 3.37Å; D271-N275 PolarHBondContact OD1-ND2 3.15Å
276	K	81.2	Confident	85	Confident	69 Å²	69	50.9 Å²	50.9	30%	0.3	25%	0.253	S	S	.	.	S	Bend	trans	-93.8	-28.9	-175.6	-58.4	-161.9	-174.1	-154.9	0	113.9	M177 N178 D271 F278	M177-K276 HydrophobicContact CG-CD 3.9Å; M177-K276 PolarHBondContact O-NZ 3.46Å; M177-K276 HydrophobicContact SD-CD 4.17Å; N178-K276 WeakPolarHBondContact OD1-CE 3.35Å; N178-K276 PolarHBondContact OD1-NZ 2.9Å; D271-K276 WeakPolarHBondContact O-CB 3.36Å; D271-K276 WeakPolarHBondContact O-CG 3.08Å; D271-K276 PolarHBondContact O-N 2.79Å; K276-F278 VanDerWaalsContact C-N 3.29Å; K276-F278 HydrophobicContact CB-CD1 3.82Å; K276-F278 HydrophobicContact CB-CD2 4.36Å; K276-F278 HydrophobicContact CB-CE1 3.76Å; K276-F278 HydrophobicContact CB-CE2 4.31Å; K276-F278 HydrophobicContact CB-CG 4.13Å; K276-F278 HydrophobicContact CB-CZ 4.03Å; K276-F278 HydrophobicContact CD-CD2 4.46Å; K276-F278 HydrophobicContact CD-CE1 3.97Å; K276-F278 HydrophobicContact CD-CE2 3.7Å; K276-F278 HydrophobicContact CD-CZ 3.42Å; K276-F278 VanDerWaalsContact CD-CZ 3.42Å; K276-F278 HydrophobicContact CG-CE1 4.46Å; K276-F278 HydrophobicContact CG-CZ 4.34Å; K276-F278 PolarHBondContact O-N 3.03Å
277	K	80.9	Confident	85	Confident	151 Å²	151	51.4 Å²	51.4	66%	0.657	26%	0.255	S	S	*	.			trans	52.1	45	-179.8	-56.4	-179.5	-179.6	175.7	0	112.8	L272 V274 F279	L272-K277 VanDerWaalsContact O-CA 3.27Å; L272-K277 WeakPolarHBondContact O-CA 3.47Å; L272-K277 PolarHBondContact O-N 3.38Å; V274-K277 VanDerWaalsContact O-CE 3.3Å; V274-K277 WeakPolarHBondContact O-CE 3.32Å; V274-K277 WeakPolarHBondContact O-CG 3.39Å; K277-F279 PolarHBondContact O-N 3.13Å
278	F	76.3	Confident	85.1	Confident	51 Å²	51	51.3 Å²	51.3	22%	0.224	25%	0.254	C	S	.	.			trans	-65.4	-27.3	-179	-72.9	-20.1	0	0	0	113.2	M177 Y182 L272 K276	M177-F278 HydrophobicContact CG-CD2 4.4Å; M177-F278 HydrophobicContact CG-CE2 3.68Å; Y182-F278 HydrophobicContact CD2-CE1 4.43Å; Y182-F278 AromaticContact CD2-CE2 3.96Å; Y182-F278 HydrophobicContact CD2-CE2 3.96Å; Y182-F278 AromaticContact CD2-CZ 3.58Å; Y182-F278 HydrophobicContact CD2-CZ 3.58Å; Y182-F278 AromaticContact CE2-CE2 3.98Å; Y182-F278 HydrophobicContact CE2-CE2 3.98Å; Y182-F278 HydrophobicContact CE2-CZ 4.02Å; Y182-F278 HydrophobicContact CG-CE1 4.42Å; Y182-F278 HydrophobicContact CG-CE2 4.23Å; Y182-F278 AromaticContact CG-CZ 3.9Å; Y182-F278 HydrophobicContact CG-CZ 3.9Å; L272-F278 HydrophobicContact CD2-CD2 3.55Å; L272-F278 HydrophobicContact CD2-CE2 4.2Å; L272-F278 HydrophobicContact CD2-CG 4.45Å; L272-F278 PolarHBondContact O-N 3.28Å; K276-F278 VanDerWaalsContact C-N 3.29Å; K276-F278 HydrophobicContact CB-CD1 3.82Å; K276-F278 HydrophobicContact CB-CD2 4.36Å; K276-F278 HydrophobicContact CB-CE1 3.76Å; K276-F278 HydrophobicContact CB-CE2 4.31Å; K276-F278 HydrophobicContact CB-CG 4.13Å; K276-F278 HydrophobicContact CB-CZ 4.03Å; K276-F278 HydrophobicContact CD-CD2 4.46Å; K276-F278 HydrophobicContact CD-CE1 3.97Å; K276-F278 HydrophobicContact CD-CE2 3.7Å; K276-F278 HydrophobicContact CD-CZ 3.42Å; K276-F278 VanDerWaalsContact CD-CZ 3.42Å; K276-F278 HydrophobicContact CG-CE1 4.46Å; K276-F278 HydrophobicContact CG-CZ 4.34Å; K276-F278 PolarHBondContact O-N 3.03Å
279	F	78.9	Confident	85.2	Confident	24 Å²	24	55.3 Å²	55.3	11%	0.105	27%	0.272	C	S	.	.			trans	-130.4	149.9	-174.6	-55.4	-74.8	0	0	0	111.5	V188 F191 R192 L272 K277 F281 P283	V188-F279 HydrophobicContact CG1-CD1 4.09Å; V188-F279 HydrophobicContact CG1-CE1 3.48Å; V188-F279 VanDerWaalsContact CG1-CE1 3.48Å; V188-F279 HydrophobicContact CG1-CZ 3.97Å; F191-F279 HydrophobicContact CD1-CE2 4.29Å; F191-F279 HydrophobicContact CD1-CZ 4.08Å; F191-F279 HydrophobicContact CE1-CE2 4.42Å; R192-F279 HydrophobicContact CB-CE1 3.9Å; R192-F279 HydrophobicContact CB-CZ 4.06Å; R192-F279 HydrophobicContact CG-CE1 4.19Å; R192-F279 HydrophobicContact CG-CZ 4.5Å; L272-F279 HydrophobicContact CD2-CE2 4.48Å; K277-F279 PolarHBondContact O-N 3.13Å; F279-F281 VanDerWaalsContact C-N 3.28Å; F279-F281 HydrophobicContact CB-CD1 4.33Å; F279-F281 HydrophobicContact CB-CE1 4.27Å; F279-F281 WeakPolarHBondContact CB-O 3.34Å; F279-F281 HydrophobicContact CD1-CE1 4.25Å; F279-F281 HydrophobicContact CD1-CZ 4.42Å; F279-P283 HydrophobicContact CD2-CG 3.66Å; F279-P283 HydrophobicContact CE2-CG 4Å; F279-P283 HydrophobicContact CG-CG 4.3Å
280	N	75.9	Confident	85.4	Confident	179 Å²	179	56.4 Å²	56.4	96%	0.957	28%	0.282	S	S	*	.	S	Bend	trans	-83.1	-5.7	173.6	-69.2	-22.9	0	0	0	113.4
281	F	81.5	Confident	85.7	Confident	114 Å²	114	55 Å²	55	50%	0.5	28%	0.276	S	S	.	.	S	Bend	trans	-129.1	174	175.9	68.6	-84.3	0	0	0	108.6	R192 F279 P283	R192-F281 HydrophobicContact CG-CZ 4.44Å; F279-F281 VanDerWaalsContact C-N 3.28Å; F279-F281 HydrophobicContact CB-CD1 4.33Å; F279-F281 HydrophobicContact CB-CE1 4.27Å; F279-F281 WeakPolarHBondContact CB-O 3.34Å; F279-F281 HydrophobicContact CD1-CE1 4.25Å; F279-F281 HydrophobicContact CD1-CZ 4.42Å; F281-P283 HydrophobicContact CD2-CB 4.46Å; F281-P283 HydrophobicContact CE2-CB 3.75Å; F281-P283 HydrophobicContact CZ-CB 4.34Å; F281-P283 WeakPolarHBondContact O-CD 3.48Å
282	D	84.5	Confident	86	Confident	31 Å²	31	53.1 Å²	53.1	17%	0.166	27%	0.266	C	S	.	.			trans	-98.3	101.4	-179.6	-172.4	-17.9	0	0	0	111.3	R269 V284 V285	R269-D282 IonicContact CZ-OD2 2.89Å; R269-D282 IonicContact NE-OD1 3.41Å; R269-D282 IonicContact NE-OD2 3.18Å; R269-D282 PolarHBondContact NE-OD2 3.03Å; R269-D282 IonicContact NH2-OD2 3.95Å; R269-D282 PolarHBondContact NH2-OD2 2.91Å; D282-V284 PolarHBondContact O-N 2.98Å; D282-V284 PolarHBondContact OD1-N 3.34Å; D282-V285 HydrophobicContact CB-CB 4.27Å; D282-V285 WeakPolarHBondContact O-CG1 3.46Å; D282-V285 PolarHBondContact OD1-N 3.11Å
283	P	84.6	Confident	86.3	Confident	21 Å²	21	54.1 Å²	54.1	14%	0.136	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-8.1	-177.4	34	-38.3	0	0	0	113.1	L195 L272 F279 F281 M287	L195-P283 HydrophobicContact CD2-CB 3.67Å; L195-P283 HydrophobicContact CD2-CG 3.73Å; L272-P283 HydrophobicContact CD1-CG 4.4Å; F279-P283 HydrophobicContact CD2-CG 3.66Å; F279-P283 HydrophobicContact CE2-CG 4Å; F279-P283 HydrophobicContact CG-CG 4.3Å; F281-P283 HydrophobicContact CD2-CB 4.46Å; F281-P283 HydrophobicContact CE2-CB 3.75Å; F281-P283 HydrophobicContact CZ-CB 4.34Å; F281-P283 WeakPolarHBondContact O-CD 3.48Å; P283-M287 WeakPolarHBondContact O-CE 3.26Å
284	V	89.9	Confident	86.9	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-6.7	-174.9	-167.9	0	0	0	0	111.9	L195 L265 F268 R269 L272 D282 H286 M287 S288	L195-V284 HydrophobicContact CD2-CG2 4.33Å; L265-V284 HydrophobicContact CD2-CG1 4.29Å; F268-V284 HydrophobicContact CD1-CG1 4.39Å; F268-V284 HydrophobicContact CD1-CG2 3.82Å; F268-V284 HydrophobicContact CE1-CG2 4.02Å; R269-V284 HydrophobicContact CB-CB 3.95Å; R269-V284 HydrophobicContact CB-CG1 4.05Å; R269-V284 HydrophobicContact CB-CG2 4.31Å; R269-V284 HydrophobicContact CG-CB 4.1Å; L272-V284 HydrophobicContact CD1-CG2 3.81Å; D282-V284 PolarHBondContact O-N 2.98Å; D282-V284 PolarHBondContact OD1-N 3.34Å; V284-H286 PolarHBondContact O-N 3.4Å; V284-M287 HydrophobicContact CB-CE 4.44Å; V284-M287 HydrophobicContact CG1-CB 4.36Å; V284-M287 HydrophobicContact CG1-CE 4.44Å; V284-M287 HydrophobicContact CG2-CE 4.45Å; V284-M287 PolarHBondContact O-N 2.94Å; V284-S288 PolarHBondContact O-N 3.41Å; V284-S288 PolarHBondContact O-OG 2.95Å
285	V	88.7	Confident	87.5	Confident	32 Å²	32	50.4 Å²	50.4	19%	0.194	25%	0.252	C	S	.	.	H	α-helix	trans	-56.4	-49.3	-176.8	68.3	0	0	0	0	112.2	D282 M287 S288 E289	D282-V285 HydrophobicContact CB-CB 4.27Å; D282-V285 WeakPolarHBondContact O-CG1 3.46Å; D282-V285 PolarHBondContact OD1-N 3.11Å; V285-M287 VanDerWaalsContact C-N 3.34Å; V285-M287 PolarHBondContact O-N 2.93Å; V285-S288 WeakPolarHBondContact O-CB 3.5Å; V285-S288 PolarHBondContact O-N 2.89Å; V285-S288 VanDerWaalsContact O-N 3.12Å; V285-E289 HydrophobicContact CG2-CG 4.42Å; V285-E289 WeakPolarHBondContact O-CG 3.48Å; V285-E289 PolarHBondContact O-N 2.98Å
286	H	90.4	Very high	88.1	Confident	137 Å²	137	47.5 Å²	47.5	63%	0.634	24%	0.235	S	C	*	.	H	α-helix	trans	-65.3	-36.6	-178.4	-64.7	-47.1	0	0	0	112.9	V284 S288 E289 A290	V284-H286 PolarHBondContact O-N 3.4Å; H286-S288 VanDerWaalsContact C-N 3.35Å; H286-E289 IonicContact ND1-OE2 2.66Å; H286-E289 PolarHBondContact ND1-OE2 3.24Å; H286-E289 PolarHBondContact O-N 3.08Å; H286-A290 WeakPolarHBondContact O-CB 3.49Å; H286-A290 PolarHBondContact O-N 3.06Å
287	M	94.4	Very high	88.6	Confident	14 Å²	14	44.3 Å²	44.3	7%	0.069	22%	0.222	C	C	.	.	H	α-helix	trans	-63.9	-41.6	173.6	-71.2	175.8	-106.8	0	0	111.4	L195 F198 L203 P283 V284 V285 A290 V291	L195-M287 HydrophobicContact CD1-CE 3.53Å; L195-M287 HydrophobicContact CD1-SD 4.12Å; L195-M287 HydrophobicContact CD2-CE 4.17Å; L195-M287 HydrophobicContact CG-CE 3.59Å; F198-M287 HydrophobicContact CD1-SD 3.85Å; F198-M287 HydrophobicContact CE1-SD 4.06Å; L203-M287 HydrophobicContact CD2-CB 3.49Å; L203-M287 VanDerWaalsContact CD2-CB 3.49Å; L203-M287 HydrophobicContact CD2-CG 3.64Å; L203-M287 HydrophobicContact CD2-SD 4.4Å; P283-M287 WeakPolarHBondContact O-CE 3.26Å; V284-M287 HydrophobicContact CB-CE 4.44Å; V284-M287 HydrophobicContact CG1-CB 4.36Å; V284-M287 HydrophobicContact CG1-CE 4.44Å; V284-M287 HydrophobicContact CG2-CE 4.45Å; V284-M287 PolarHBondContact O-N 2.94Å; V285-M287 VanDerWaalsContact C-N 3.34Å; V285-M287 PolarHBondContact O-N 2.93Å; M287-A290 PolarHBondContact O-N 2.9Å; M287-V291 PolarHBondContact O-N 2.85Å
288	S	93	Very high	89.2	Confident	5 Å²	5	37.5 Å²	37.5	4%	0.035	19%	0.192	C	C	.	.	H	α-helix	trans	-66.7	-43.1	176.7	-54.5	0	0	0	0	111.3	V284 V285 H286 A290 V291 F292	V284-S288 PolarHBondContact O-N 3.41Å; V284-S288 PolarHBondContact O-OG 2.95Å; V285-S288 WeakPolarHBondContact O-CB 3.5Å; V285-S288 PolarHBondContact O-N 2.89Å; V285-S288 VanDerWaalsContact O-N 3.12Å; H286-S288 VanDerWaalsContact C-N 3.35Å; S288-A290 VanDerWaalsContact C-N 3.32Å; S288-A290 PolarHBondContact O-N 2.84Å; S288-V291 PolarHBondContact O-N 2.99Å; S288-F292 VanDerWaalsContact O-CD2 3.29Å; S288-F292 WeakPolarHBondContact O-CD2 3.39Å; S288-F292 WeakPolarHBondContact O-CG 3.41Å; S288-F292 PolarHBondContact O-N 2.99Å
289	E	91.8	Very high	89.9	Confident	85 Å²	85	35 Å²	35	40%	0.397	18%	0.181	S	C	.	.	H	α-helix	trans	-60.7	-38.7	175.1	-73	178.8	152.4	0	0	112.2	V285 H286 V291 F292 A293	V285-E289 HydrophobicContact CG2-CG 4.42Å; V285-E289 WeakPolarHBondContact O-CG 3.48Å; V285-E289 PolarHBondContact O-N 2.98Å; H286-E289 IonicContact ND1-OE2 2.66Å; H286-E289 PolarHBondContact ND1-OE2 3.24Å; H286-E289 PolarHBondContact O-N 3.08Å; E289-V291 PolarHBondContact O-N 3.37Å; E289-F292 PolarHBondContact O-N 3.43Å; E289-A293 WeakPolarHBondContact O-CB 3.36Å; E289-A293 PolarHBondContact O-N 2.99Å
290	A	93.9	Very high	90.5	Very high	26 Å²	26	34.2 Å²	34.2	22%	0.215	18%	0.179	C	C	.	.	H	α-helix	trans	-62.4	-41.6	175.7	0	0	0	0	0	112.2	L207 H286 M287 S288 A293 A294	L207-A290 HydrophobicContact CD1-CB 3.75Å; H286-A290 WeakPolarHBondContact O-CB 3.49Å; H286-A290 PolarHBondContact O-N 3.06Å; M287-A290 PolarHBondContact O-N 2.9Å; S288-A290 VanDerWaalsContact C-N 3.32Å; S288-A290 PolarHBondContact O-N 2.84Å; A290-A293 PolarHBondContact O-N 3.5Å; A290-A294 PolarHBondContact O-N 2.75Å
291	V	95.4	Very high	91.1	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.5	-42.1	174.5	176.1	0	0	0	0	111	W100 L203 L207 L258 L261 L265 M287 S288 E289 A294 L295	W100-V291 HydrophobicContact CH2-CG1 4.31Å; L203-V291 HydrophobicContact CD1-CG2 4.48Å; L207-V291 HydrophobicContact CD1-CG2 4Å; L207-V291 HydrophobicContact CD2-CG2 4.29Å; L258-V291 HydrophobicContact CD2-CG1 4.45Å; L261-V291 HydrophobicContact CD2-CG2 3.98Å; L261-V291 HydrophobicContact CG-CG2 4.11Å; L265-V291 HydrophobicContact CD1-CG2 3.77Å; M287-V291 PolarHBondContact O-N 2.85Å; S288-V291 PolarHBondContact O-N 2.99Å; E289-V291 PolarHBondContact O-N 3.37Å; V291-A294 PolarHBondContact O-N 3.28Å; V291-L295 PolarHBondContact O-N 3.35Å
292	F	93.8	Very high	91.6	Very high	4 Å²	4	20.6 Å²	20.6	2%	0.018	11%	0.111	C	C	.	.	H	α-helix	trans	-64.9	-40.8	177.1	-58.5	-26.3	0	0	0	111.9	W100 N107 S288 E289 A294 L295 E296 P482	W100-F292 AromaticContact CZ3-CD1 3.96Å; W100-F292 HydrophobicContact CZ3-CD1 3.96Å; W100-F292 HydrophobicContact CZ3-CE1 4.05Å; N107-F292 HydrophobicContact CB-CE2 4.48Å; S288-F292 VanDerWaalsContact O-CD2 3.29Å; S288-F292 WeakPolarHBondContact O-CD2 3.39Å; S288-F292 WeakPolarHBondContact O-CG 3.41Å; S288-F292 PolarHBondContact O-N 2.99Å; E289-F292 PolarHBondContact O-N 3.43Å; F292-A294 VanDerWaalsContact C-N 3.31Å; F292-A294 PolarHBondContact O-N 2.83Å; F292-L295 WeakPolarHBondContact O-CB 3.23Å; F292-L295 PolarHBondContact O-N 3.01Å; F292-E296 VanDerWaalsContact O-CG 3.32Å; F292-E296 WeakPolarHBondContact O-CG 3.41Å; F292-E296 PolarHBondContact O-N 2.77Å; F292-P482 HydrophobicContact CD1-CB 3.61Å; F292-P482 HydrophobicContact CD1-CG 4.35Å; F292-P482 HydrophobicContact CD2-CB 4.36Å; F292-P482 HydrophobicContact CE1-CB 3.66Å; F292-P482 HydrophobicContact CE2-CB 4.4Å; F292-P482 HydrophobicContact CG-CB 3.99Å; F292-P482 HydrophobicContact CZ-CB 4.06Å
293	A	93.1	Very high	92	Very high	21 Å²	21	19.1 Å²	19.1	17%	0.174	10%	0.103	C	C	.	.	H	α-helix	trans	-63.3	-37.1	175.1	0	0	0	0	0	112.1	E289 A290 E296 L297 P362	E289-A293 WeakPolarHBondContact O-CB 3.36Å; E289-A293 PolarHBondContact O-N 2.99Å; A290-A293 PolarHBondContact O-N 3.5Å; A293-E296 PolarHBondContact O-N 2.73Å; A293-L297 WeakPolarHBondContact O-CB 3.44Å; A293-L297 PolarHBondContact O-N 2.82Å; A293-P362 HydrophobicContact CB-CG 4.22Å
294	A	94.8	Very high	92.2	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.008	10%	0.103	C	C	.	.	H	α-helix	trans	-65.1	-38.8	173.3	0	0	0	0	0	112.3	L207 K211 L258 A290 V291 F292 L298	L207-A294 HydrophobicContact CD2-CB 4.21Å; K211-A294 HydrophobicContact CG-CB 4.27Å; L258-A294 HydrophobicContact CD1-CB 4.19Å; L258-A294 HydrophobicContact CD2-CB 4.24Å; A290-A294 PolarHBondContact O-N 2.75Å; V291-A294 PolarHBondContact O-N 3.28Å; F292-A294 VanDerWaalsContact C-N 3.31Å; F292-A294 PolarHBondContact O-N 2.83Å; A294-L298 PolarHBondContact O-N 2.9Å
295	L	93.8	Very high	91.8	Very high	3 Å²	3	19.6 Å²	19.6	2%	0.016	11%	0.105	C	C	.	.	H	α-helix	trans	-64.5	-50.1	172.1	176.2	71.2	0	0	0	111.2	W100 T255 L258 V291 F292 L297 L298 M299 P482	W100-L295 HydrophobicContact CD2-CD2 3.81Å; W100-L295 HydrophobicContact CE3-CD2 3.7Å; W100-L295 HydrophobicContact CH2-CB 4.11Å; W100-L295 HydrophobicContact CH2-CD1 4.45Å; W100-L295 HydrophobicContact CH2-CD2 3.72Å; W100-L295 HydrophobicContact CH2-CG 4.3Å; W100-L295 HydrophobicContact CZ2-CB 4.33Å; W100-L295 HydrophobicContact CZ2-CD1 3.87Å; W100-L295 HydrophobicContact CZ2-CD2 3.82Å; W100-L295 HydrophobicContact CZ2-CG 4.21Å; W100-L295 HydrophobicContact CZ3-CD2 3.66Å; T255-L295 HydrophobicContact CG2-CD1 3.82Å; L258-L295 HydrophobicContact CD1-CB 4.12Å; V291-L295 PolarHBondContact O-N 3.35Å; F292-L295 WeakPolarHBondContact O-CB 3.23Å; F292-L295 PolarHBondContact O-N 3.01Å; L295-L297 PolarHBondContact O-N 3.03Å; L295-L298 WeakPolarHBondContact O-CB 3.47Å; L295-L298 PolarHBondContact O-N 3Å; L295-L298 VanDerWaalsContact O-N 3.11Å; L295-M299 HydrophobicContact CD1-CG 3.94Å; L295-M299 HydrophobicContact CD1-SD 4.45Å; L295-M299 HydrophobicContact CG-CG 4.1Å; L295-M299 WeakPolarHBondContact O-CB 3.39Å; L295-M299 VanDerWaalsContact O-CG 3.22Å; L295-M299 WeakPolarHBondContact O-CG 3.17Å; L295-M299 PolarHBondContact O-N 3.48Å; L295-P482 HydrophobicContact CD2-CG 3.78Å
296	E	92.9	Very high	90.8	Very high	30 Å²	30	19.8 Å²	19.8	14%	0.14	11%	0.106	C	C	.	.	H	α-helix	trans	-57.1	-40.8	-179.8	-71.6	175.3	-178.2	0	0	111.2	F292 A293 M299 S300 P362 S481 S483 A487	F292-E296 VanDerWaalsContact O-CG 3.32Å; F292-E296 WeakPolarHBondContact O-CG 3.41Å; F292-E296 PolarHBondContact O-N 2.77Å; A293-E296 PolarHBondContact O-N 2.73Å; E296-M299 CarbonylContact O-C 3.6Å; E296-M299 PolarHBondContact O-N 2.83Å; E296-S300 PolarHBondContact O-N 2.88Å; E296-P362 HydrophobicContact CB-CB 3.91Å; E296-P362 HydrophobicContact CB-CG 4.01Å; E296-S481 VanDerWaalsContact OE1-CB 3.25Å; E296-S481 WeakPolarHBondContact OE1-CB 3.31Å; E296-S481 PolarHBondContact OE1-OG 3.24Å; E296-S483 PolarHBondContact OE1-OG 3.31Å; E296-A487 HydrophobicContact CB-CB 4.25Å; E296-A487 HydrophobicContact CG-CB 3.73Å
297	L	92.9	Very high	89.8	Confident	2 Å²	2	14.1 Å²	14.1	1%	0.01	8%	0.08	C	C	.	.	H	α-helix	trans	-65.3	-44.6	174.9	-174.9	65.8	0	0	0	112.3	K211 A293 L295 M299 S300 R357 Q360	K211-L297 HydrophobicContact CB-CD2 4.22Å; K211-L297 HydrophobicContact CD-CD2 3.88Å; K211-L297 HydrophobicContact CG-CD2 3.96Å; A293-L297 WeakPolarHBondContact O-CB 3.44Å; A293-L297 PolarHBondContact O-N 2.82Å; L295-L297 PolarHBondContact O-N 3.03Å; L297-M299 VanDerWaalsContact C-N 3.25Å; L297-M299 PolarHBondContact O-N 2.81Å; L297-S300 VanDerWaalsContact O-CB 3.28Å; L297-S300 WeakPolarHBondContact O-CB 3.39Å; L297-S300 PolarHBondContact O-N 2.79Å; L297-S300 PolarHBondContact O-OG 3.15Å; L297-R357 HydrophobicContact CD1-CG 4.5Å; L297-Q360 HydrophobicContact CD2-CB 4.48Å
298	L	92.7	Very high	88.1	Confident	7 Å²	7	14 Å²	14	4%	0.037	8%	0.08	C	C	.	.	H	α-helix	trans	-58.3	-41.7	173.4	177.5	71.1	0	0	0	110.7	Y210 C214 F250 Y251 M254 A294 L295 S300 N301	Y210-L298 WeakPolarHBondContact OH-CD2 3.5Å; C214-L298 HydrophobicContact CB-CD1 3.99Å; F250-L298 HydrophobicContact CE1-CD1 4.21Å; Y251-L298 HydrophobicContact CD1-CD1 4.06Å; Y251-L298 HydrophobicContact CD1-CG 4.06Å; Y251-L298 HydrophobicContact CE1-CD1 4.04Å; Y251-L298 HydrophobicContact CE1-CG 4.22Å; Y251-L298 VanDerWaalsContact CE1-O 3.29Å; Y251-L298 WeakPolarHBondContact CE1-O 3.25Å; M254-L298 HydrophobicContact CB-CD1 4.19Å; M254-L298 HydrophobicContact CB-CD2 3.68Å; A294-L298 PolarHBondContact O-N 2.9Å; L295-L298 WeakPolarHBondContact O-CB 3.47Å; L295-L298 PolarHBondContact O-N 3Å; L295-L298 VanDerWaalsContact O-N 3.11Å; L298-S300 VanDerWaalsContact C-N 3.29Å; L298-S300 PolarHBondContact O-N 2.94Å; L298-N301 PolarHBondContact O-OD1 2.91Å
299	M	91.8	Very high	86.2	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-76.1	-13.8	-178.3	-62	-66.7	88.7	0	0	113.7	Y251 L295 E296 L297 N301 C302 A328 V331 M479 A489	Y251-M299 HydrophobicContact CD1-CE 3.57Å; Y251-M299 HydrophobicContact CE1-CE 4.15Å; Y251-M299 HydrophobicContact CG-CE 4.46Å; L295-M299 HydrophobicContact CD1-CG 3.94Å; L295-M299 HydrophobicContact CD1-SD 4.45Å; L295-M299 HydrophobicContact CG-CG 4.1Å; L295-M299 WeakPolarHBondContact O-CB 3.39Å; L295-M299 VanDerWaalsContact O-CG 3.22Å; L295-M299 WeakPolarHBondContact O-CG 3.17Å; L295-M299 PolarHBondContact O-N 3.48Å; E296-M299 CarbonylContact O-C 3.6Å; E296-M299 PolarHBondContact O-N 2.83Å; L297-M299 VanDerWaalsContact C-N 3.25Å; L297-M299 PolarHBondContact O-N 2.81Å; M299-N301 PolarHBondContact O-N 2.95Å; M299-C302 HydrophobicContact CE-CB 3.99Å; M299-C302 PolarHBondContact O-N 3.47Å; M299-C302 PolarHBondContact O-SG 2.86Å; M299-C302 HydrophobicContact SD-CB 4.15Å; M299-A328 HydrophobicContact CE-CB 3.76Å; M299-A328 HydrophobicContact SD-CB 3.22Å; M299-A328 WeakPolarHBondContact SD-CB 3.35Å; M299-V331 HydrophobicContact CG-CG2 4.5Å; M299-V331 HydrophobicContact SD-CG2 4.1Å; M299-M479 HydrophobicContact CB-CE 3.69Å; M299-M479 HydrophobicContact CB-SD 3.66Å; M299-M479 HydrophobicContact CG-SD 4.14Å; M299-A489 WeakPolarHBondContact O-CB 3.31Å
300	S	91.4	Very high	84.6	Confident	7 Å²	7	19 Å²	19	5%	0.049	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-20.3	-175.8	68.3	0	0	0	0	114.9	E296 L297 L298 A489 H490	E296-S300 PolarHBondContact O-N 2.88Å; L297-S300 VanDerWaalsContact O-CB 3.28Å; L297-S300 WeakPolarHBondContact O-CB 3.39Å; L297-S300 PolarHBondContact O-N 2.79Å; L297-S300 PolarHBondContact O-OG 3.15Å; L298-S300 VanDerWaalsContact C-N 3.29Å; L298-S300 PolarHBondContact O-N 2.94Å; S300-A489 CarbonylContact O-C 3.54Å; S300-A489 VanDerWaalsContact O-CA 3.31Å; S300-A489 WeakPolarHBondContact O-CA 3.41Å; S300-H490 PolarHBondContact O-N 2.9Å
301	N	88.9	Confident	83.6	Confident	7 Å²	7	20.1 Å²	20.1	4%	0.037	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.1	21.5	177.1	66.1	-18.7	0	0	0	113.4	C218 W222 Y251 L298 M299 V303 M353 R357	C218-N301 PolarHBondContact SG-ND2 2.92Å; W222-N301 VanDerWaalsContact CZ2-O 3.27Å; W222-N301 WeakPolarHBondContact CZ2-O 3.38Å; W222-N301 PolarHBondContact NE1-ND2 3Å; Y251-N301 PolarHBondContact OH-ND2 2.85Å; Y251-N301 PolarHBondContact OH-O 3.46Å; Y251-N301 VanDerWaalsContact OH-O 3.12Å; Y251-N301 PolarHBondContact OH-OD1 3.39Å; L298-N301 PolarHBondContact O-OD1 2.91Å; M299-N301 PolarHBondContact O-N 2.95Å; N301-V303 PolarHBondContact O-N 2.87Å; N301-V303 VanDerWaalsContact O-N 3.08Å; N301-M353 HydrophobicContact CB-CE 4.32Å; N301-R357 PolarHBondContact ND2-NH2 3.45Å
302	C	91	Very high	83	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	13%	0.127	C	C	.	.			trans	-81.9	27.3	-177.3	75.9	0	0	0	0	113.9	Y251 M299 L327 A328	Y251-C302 HydrophobicContact CD1-CB 4.09Å; Y251-C302 HydrophobicContact CE1-CB 3.83Å; Y251-C302 HydrophobicContact CE2-CB 4.37Å; Y251-C302 HydrophobicContact CG-CB 4.46Å; M299-C302 HydrophobicContact CE-CB 3.99Å; M299-C302 PolarHBondContact O-N 3.47Å; M299-C302 PolarHBondContact O-SG 2.86Å; M299-C302 HydrophobicContact SD-CB 4.15Å; C302-L327 WeakPolarHBondContact O-CB 3.5Å; C302-L327 PolarHBondContact O-N 3.45Å; C302-A328 HydrophobicContact CB-CB 4.07Å
303	V	91.9	Very high	82.6	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	138.1	-178.1	177.7	0	0	0	0	109.8	W222 N301 F333 F336 I475 A477 A489 T491	W222-V303 WeakPolarHBondContact CH2-O 3.43Å; N301-V303 PolarHBondContact O-N 2.87Å; N301-V303 VanDerWaalsContact O-N 3.08Å; V303-F333 HydrophobicContact CG2-CE1 4.25Å; V303-F336 HydrophobicContact CG1-CD1 4.32Å; V303-F336 HydrophobicContact CG1-CE1 3.8Å; V303-F336 HydrophobicContact CG2-CE1 4.34Å; V303-I475 HydrophobicContact CG1-CG2 3.88Å; V303-A477 HydrophobicContact CG2-CB 3.65Å; V303-A489 HydrophobicContact CB-CB 4.48Å; V303-A489 HydrophobicContact CG2-CB 3.54Å; V303-T491 HydrophobicContact CB-CG2 4.18Å; V303-T491 HydrophobicContact CG1-CG2 3.88Å; V303-T491 WeakPolarHBondContact O-CB 3.34Å; V303-T491 VanDerWaalsContact O-CG2 3.31Å; V303-T491 WeakPolarHBondContact O-CG2 3.43Å; V303-T491 PolarHBondContact O-OG1 2.82Å
304	L	89	Confident	82.2	Confident	26 Å²	26	20.9 Å²	20.9	14%	0.136	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	135.9	174.3	-171.3	137.8	0	0	0	109.2	W222 V225 I244 C324 G325 L327	W222-L304 HydrophobicContact CH2-CB 4.22Å; W222-L304 HydrophobicContact CH2-CD1 4.13Å; W222-L304 HydrophobicContact CH2-CG 4.42Å; W222-L304 HydrophobicContact CZ3-CD1 4.18Å; V225-L304 HydrophobicContact CG1-CD1 4.11Å; I244-L304 HydrophobicContact CD1-CD1 4.4Å; L304-C324 CarbonylContact O-C 3.58Å; L304-C324 WeakPolarHBondContact O-CA 2.9Å; L304-G325 PolarHBondContact N-O 3.2Å; L304-G325 PolarHBondContact O-N 2.99Å; L304-L327 HydrophobicContact CB-CD2 4.13Å; L304-L327 HydrophobicContact CB-CG 4.38Å; L304-L327 HydrophobicContact CD1-CD2 4.47Å
305	A	83.1	Confident	81.6	Confident	4 Å²	4	22.6 Å²	22.6	3%	0.033	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	141.7	170.8	0	0	0	0	0	109.1	E307 I475 T491	A305-E307 PolarHBondContact O-N 2.73Å; A305-I475 HydrophobicContact CB-CD1 3.38Å; A305-I475 HydrophobicContact CB-CG1 3.8Å; A305-T491 HydrophobicContact CB-CG2 4.2Å
306	T	67.9	Low	81	Confident	36 Å²	36	22.9 Å²	22.9	22%	0.221	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-60.1	134	163.3	46.4	0	0	0	0	108.5	N323	T306-N323 WeakPolarHBondContact CA-O 3.38Å; T306-N323 VanDerWaalsContact CB-O 3.27Å; T306-N323 WeakPolarHBondContact CB-O 3.37Å; T306-N323 HydrophobicContact CG2-CB 3.51Å; T306-N323 VanDerWaalsContact CG2-O 3.26Å; T306-N323 WeakPolarHBondContact CG2-O 3.44Å; T306-N323 PolarHBondContact N-O 2.76Å; T306-N323 PolarHBondContact OG1-N 3.04Å; T306-N323 PolarHBondContact OG1-O 2.86Å
307	E	68.1	Low	80.4	Confident	19 Å²	19	25.5 Å²	25.5	9%	0.089	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-50.1	160.1	160.6	-63.8	155.6	-143.5	0	0	109.6	Q229 R232 M233 A305 S309 L494	Q229-E307 WeakPolarHBondContact CA-OE1 3.39Å; Q229-E307 HydrophobicContact CB-CG 4.28Å; Q229-E307 WeakPolarHBondContact CB-OE1 3.41Å; Q229-E307 WeakPolarHBondContact CG-OE1 3.47Å; Q229-E307 PolarHBondContact NE2-OE1 2.86Å; R232-E307 WeakPolarHBondContact CD-OE2 3.16Å; R232-E307 IonicContact NE-OE2 3.75Å; M233-E307 HydrophobicContact CG-CB 4.46Å; M233-E307 WeakPolarHBondContact CG-OE2 3.42Å; M233-E307 HydrophobicContact SD-CB 4.18Å; A305-E307 PolarHBondContact O-N 2.73Å; E307-S309 VanDerWaalsContact O-CA 3.28Å; E307-S309 WeakPolarHBondContact O-CA 3.3Å; E307-S309 PolarHBondContact O-N 2.73Å; E307-L494 HydrophobicContact CG-CD1 3.8Å; E307-L494 HydrophobicContact CG-CG 4.14Å
308	P	58.1	Low	80	Confident	11 Å²	11	28.9 Å²	28.9	7%	0.071	17%	0.172	C	C	.	.			trans	-54.6	91	166.4	-19.9	31.8	0	0	0	109	T310 S311 F496	P308-T310 PolarHBondContact O-N 3.31Å; P308-S311 WeakPolarHBondContact CB-O 3.39Å; P308-S311 PolarHBondContact O-N 2.91Å; P308-F496 HydrophobicContact CG-CB 3.98Å; P308-F496 HydrophobicContact CG-CD1 4.43Å; P308-F496 HydrophobicContact CG-CG 4.5Å
309	S	53.5	Low	79.7	Confident	64 Å²	64	32.5 Å²	32.5	45%	0.448	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-10.3	-149.9	48.9	0	0	0	0	116.4	E307	E307-S309 VanDerWaalsContact O-CA 3.28Å; E307-S309 WeakPolarHBondContact O-CA 3.3Å; E307-S309 PolarHBondContact O-N 2.73Å
310	T	59	Low	79.4	Confident	131 Å²	131	33.9 Å²	33.9	80%	0.804	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-135.8	-17.2	175.6	56.3	0	0	0	0	113.9	P308	P308-T310 PolarHBondContact O-N 3.31Å
311	S	71.9	Confident	79.2	Confident	49 Å²	49	35.7 Å²	35.7	34%	0.343	21%	0.213	S	C	.	.			trans	-167.2	129.6	-175.3	174.9	0	0	0	0	111.4	P308 I313	P308-S311 WeakPolarHBondContact CB-O 3.39Å; P308-S311 PolarHBondContact O-N 2.91Å; S311-I313 PolarHBondContact O-N 3.4Å; S311-I313 VanDerWaalsContact O-N 3.1Å; S311-I313 PolarHBondContact OG-N 3.02Å; S311-I313 VanDerWaalsContact OG-N 3.11Å; S311-I313 PolarHBondContact OG-O 3.32Å
312	A	84	Confident	79.2	Confident	4 Å²	4	35.6 Å²	35.6	3%	0.033	21%	0.212	C	C	.	.	S	Bend	trans	-76.6	17.6	171.6	0	0	0	0	0	113.8	M233 F496 T497 I519 Y523	M233-A312 HydrophobicContact CE-CB 3.84Å; A312-F496 HydrophobicContact CB-CB 4.39Å; A312-F496 CarbonylContact O-C 3.54Å; A312-F496 VanDerWaalsContact O-CA 3.28Å; A312-F496 WeakPolarHBondContact O-CA 3.34Å; A312-F496 VanDerWaalsContact O-CB 3.26Å; A312-F496 WeakPolarHBondContact O-CB 3.29Å; A312-T497 PolarHBondContact O-N 3.09Å; A312-I519 HydrophobicContact CB-CD1 4Å; A312-I519 HydrophobicContact CB-CG1 4.06Å; A312-I519 HydrophobicContact CB-CG2 3.64Å; A312-Y523 HydrophobicContact CB-CE2 3.68Å; A312-Y523 WeakPolarHBondContact CB-OH 3.45Å
313	I	85.4	Confident	79.1	Confident	22 Å²	22	38 Å²	38	11%	0.113	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	109.4	173.4	-51.6	177.2	0	0	0	108.3	S311 A499 M512 T516 I519	S311-I313 PolarHBondContact O-N 3.4Å; S311-I313 VanDerWaalsContact O-N 3.1Å; S311-I313 PolarHBondContact OG-N 3.02Å; S311-I313 VanDerWaalsContact OG-N 3.11Å; S311-I313 PolarHBondContact OG-O 3.32Å; I313-A499 HydrophobicContact CG2-CB 4.09Å; I313-M512 HydrophobicContact CD1-CE 4.43Å; I313-M512 HydrophobicContact CG2-CE 4.06Å; I313-T516 HydrophobicContact CD1-CG2 3.19Å; I313-I519 HydrophobicContact CG1-CG1 4.38Å
314	L	84.1	Confident	79.1	Confident	15 Å²	15	38 Å²	38	8%	0.079	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	127.3	171.9	-64.2	-177.5	0	0	0	109.3	F320 F473 F496 T497 I498 A499	L314-F320 HydrophobicContact CD1-CE1 4.41Å; L314-F320 HydrophobicContact CD1-CZ 4.44Å; L314-F320 HydrophobicContact CD2-CB 4.22Å; L314-F320 HydrophobicContact CD2-CD1 4.19Å; L314-F320 HydrophobicContact CD2-CD2 4.49Å; L314-F320 HydrophobicContact CD2-CG 4.06Å; L314-F473 HydrophobicContact CD1-CE2 3.96Å; L314-F473 HydrophobicContact CD1-CZ 3.5Å; L314-F473 VanDerWaalsContact CD1-CZ 3.5Å; L314-F496 HydrophobicContact CB-CD2 4.38Å; L314-F496 HydrophobicContact CD1-CD2 3.63Å; L314-F496 HydrophobicContact CD1-CE2 3.37Å; L314-F496 HydrophobicContact CD1-CG 4.41Å; L314-F496 HydrophobicContact CD1-CZ 3.95Å; L314-F496 HydrophobicContact CG-CD2 3.87Å; L314-F496 HydrophobicContact CG-CE2 4.11Å; L314-T497 PolarHBondContact N-O 3.34Å; L314-I498 HydrophobicContact CB-CG1 4.41Å; L314-I498 CarbonylContact O-C 3.56Å; L314-I498 VanDerWaalsContact O-CA 3.29Å; L314-I498 WeakPolarHBondContact O-CA 3.39Å; L314-A499 PolarHBondContact O-N 2.61Å
315	V	81.3	Confident	79.1	Confident	38 Å²	38	37.2 Å²	37.2	23%	0.23	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	129.6	173	180	0	0	0	0	108.2	N317 N318 A499 R501	V315-N317 PolarHBondContact O-N 2.76Å; V315-N318 HydrophobicContact CB-CB 4.27Å; V315-N318 WeakPolarHBondContact O-CB 3.37Å; V315-N318 PolarHBondContact O-N 2.88Å; V315-N318 VanDerWaalsContact O-N 3.08Å; V315-A499 CarbonylContact C-O 3.57Å; V315-A499 WeakPolarHBondContact CA-O 3.16Å; V315-A499 HydrophobicContact CG2-CB 4.4Å; V315-R501 HydrophobicContact CG1-CB 3.97Å
316	T	82.2	Confident	79.5	Confident	8 Å²	8	37.2 Å²	37.2	5%	0.049	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	141.1	179	59.3	0	0	0	0	111.1	N318 C432 I498 A499 T500 R501	T316-N318 PolarHBondContact O-N 2.81Å; T316-C432 CarbonylContact C-O 3.44Å; T316-C432 WeakPolarHBondContact CA-O 3.45Å; T316-I498 HydrophobicContact CG2-CG2 3.65Å; T316-A499 PolarHBondContact N-O 2.97Å; T316-T500 HydrophobicContact CG2-CG2 4.17Å; T316-T500 WeakPolarHBondContact OG1-CA 3.14Å; T316-R501 PolarHBondContact OG1-N 2.82Å; T316-R501 VanDerWaalsContact OG1-N 3.12Å
317	N	81.3	Confident	80.5	Confident	86 Å²	86	35.9 Å²	35.9	46%	0.46	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	12.8	-175.8	-50.6	-61.3	0	0	0	115.5	V315 L431 C432	V315-N317 PolarHBondContact O-N 2.76Å; N317-L431 HydrophobicContact CB-CD2 4.32Å; N317-C432 PolarHBondContact N-O 3.16Å
318	N	83.4	Confident	81.2	Confident	72 Å²	72	35 Å²	35	39%	0.385	21%	0.211	S	C	.	.			trans	-92.8	143.8	164.3	-71.7	8.1	0	0	0	110.1	V315 T316	V315-N318 HydrophobicContact CB-CB 4.27Å; V315-N318 WeakPolarHBondContact O-CB 3.37Å; V315-N318 PolarHBondContact O-N 2.88Å; V315-N318 VanDerWaalsContact O-N 3.08Å; T316-N318 PolarHBondContact O-N 2.81Å
319	L	85.9	Confident	82.1	Confident	83 Å²	83	37.1 Å²	37.1	44%	0.435	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	138.4	174.4	-67.6	172.1	0	0	0	109.7	K377 H429 L430 L431	L319-K377 HydrophobicContact CD2-CB 4.26Å; L319-K377 HydrophobicContact CD2-CD 4.18Å; L319-H429 HydrophobicContact CD2-CB 4.03Å; L319-L430 WeakPolarHBondContact CA-O 3.46Å; L319-L431 HydrophobicContact CD2-CD1 3.78Å; L319-L431 HydrophobicContact CG-CD1 4.28Å
320	F	85.9	Confident	83.1	Confident	29 Å²	29	34.3 Å²	34.3	13%	0.127	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	153.4	168.8	66.4	-86	0	0	0	110.1	L314 M322 L374 L430 C432 F473	L314-F320 HydrophobicContact CD1-CE1 4.41Å; L314-F320 HydrophobicContact CD1-CZ 4.44Å; L314-F320 HydrophobicContact CD2-CB 4.22Å; L314-F320 HydrophobicContact CD2-CD1 4.19Å; L314-F320 HydrophobicContact CD2-CD2 4.49Å; L314-F320 HydrophobicContact CD2-CG 4.06Å; F320-M322 HydrophobicContact CE2-CE 4.33Å; F320-L374 HydrophobicContact CZ-CD2 4.1Å; F320-L430 HydrophobicContact CD1-CB 4.35Å; F320-L430 WeakPolarHBondContact CD1-O 3.28Å; F320-L430 HydrophobicContact CD2-CB 4.19Å; F320-L430 HydrophobicContact CE1-CB 3.92Å; F320-L430 HydrophobicContact CE2-CB 3.74Å; F320-L430 HydrophobicContact CE2-CD1 3.94Å; F320-L430 HydrophobicContact CE2-CG 4.46Å; F320-L430 HydrophobicContact CG-CB 4.48Å; F320-L430 HydrophobicContact CZ-CB 3.59Å; F320-L430 HydrophobicContact CZ-CD1 4.23Å; F320-L430 PolarHBondContact N-O 3.2Å; F320-L430 PolarHBondContact O-N 3.25Å; F320-C432 HydrophobicContact CE1-CB 4.29Å; F320-F473 HydrophobicContact CD2-CZ 4.45Å; F320-F473 HydrophobicContact CE2-CE1 4.08Å; F320-F473 HydrophobicContact CE2-CE2 4.46Å; F320-F473 AromaticContact CE2-CZ 3.57Å; F320-F473 HydrophobicContact CE2-CZ 3.57Å; F320-F473 HydrophobicContact CZ-CE1 4.05Å; F320-F473 AromaticContact CZ-CZ 3.79Å; F320-F473 HydrophobicContact CZ-CZ 3.79Å
321	A	87.9	Confident	84.3	Confident	46 Å²	46	28.4 Å²	28.4	38%	0.38	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	145	173.9	0	0	0	0	0	110.2	Y427	A321-Y427 WeakPolarHBondContact CA-O 3.47Å
322	M	88.5	Confident	85.2	Confident	4 Å²	4	26.1 Å²	26.1	2%	0.02	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	138.1	170.8	179.6	61	74	0	0	109.2	F320 I338 T426 Y427 L430 F473	F320-M322 HydrophobicContact CE2-CE 4.33Å; M322-I338 HydrophobicContact CE-CG2 4.29Å; M322-I338 HydrophobicContact CG-CD1 3.62Å; M322-I338 HydrophobicContact CG-CG1 4.49Å; M322-T426 CarbonylContact O-C 3.51Å; M322-T426 WeakPolarHBondContact O-CA 3.39Å; M322-Y427 PolarHBondContact N-O 3.46Å; M322-Y427 PolarHBondContact O-N 3.23Å; M322-L430 HydrophobicContact CB-CD1 3.49Å; M322-L430 VanDerWaalsContact CB-CD1 3.49Å; M322-L430 HydrophobicContact CB-CG 4.42Å; M322-L430 HydrophobicContact CG-CD1 4.21Å; M322-F473 HydrophobicContact CE-CB 4.25Å; M322-F473 HydrophobicContact CE-CD1 3.76Å; M322-F473 HydrophobicContact CE-CD2 3.53Å; M322-F473 HydrophobicContact CE-CE1 3.84Å; M322-F473 HydrophobicContact CE-CE2 3.62Å; M322-F473 HydrophobicContact CE-CG 3.58Å; M322-F473 HydrophobicContact CE-CZ 3.76Å
323	N	89.4	Confident	85.6	Confident	50 Å²	50	26 Å²	26	27%	0.267	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	122.8	174.5	175	16	0	0	0	108.8	T306 A425 T426	T306-N323 WeakPolarHBondContact CA-O 3.38Å; T306-N323 VanDerWaalsContact CB-O 3.27Å; T306-N323 WeakPolarHBondContact CB-O 3.37Å; T306-N323 HydrophobicContact CG2-CB 3.51Å; T306-N323 VanDerWaalsContact CG2-O 3.26Å; T306-N323 WeakPolarHBondContact CG2-O 3.44Å; T306-N323 PolarHBondContact N-O 2.76Å; T306-N323 PolarHBondContact OG1-N 3.04Å; T306-N323 PolarHBondContact OG1-O 2.86Å; N323-A425 CarbonylContact C-O 3.59Å; N323-A425 WeakPolarHBondContact CA-O 3.27Å; N323-T426 HydrophobicContact CB-CG2 4.12Å; N323-T426 PolarHBondContact OD1-OG1 3.32Å
324	C	90.8	Very high	86	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	146.9	174.9	-51.5	0	0	0	0	108.4	L304 F336 A424 A425 I475	L304-C324 CarbonylContact O-C 3.58Å; L304-C324 WeakPolarHBondContact O-CA 2.9Å; C324-F336 HydrophobicContact CB-CD1 3.69Å; C324-F336 HydrophobicContact CB-CE1 4.02Å; C324-A424 CarbonylContact O-C 3.54Å; C324-A424 VanDerWaalsContact O-CA 3.3Å; C324-A424 WeakPolarHBondContact O-CA 3.38Å; C324-A425 HydrophobicContact CB-CB 4.31Å; C324-A425 PolarHBondContact N-O 2.91Å; C324-A425 PolarHBondContact O-N 3.5Å; C324-I475 HydrophobicContact CB-CG2 4.4Å
325	G	89.9	Confident	86.5	Confident	10 Å²	10	26.8 Å²	26.8	10%	0.103	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	138	180	0	0	0	0	0	111.6	L304	L304-G325 PolarHBondContact N-O 3.2Å; L304-G325 PolarHBondContact O-N 2.99Å
326	A	91.6	Very high	87.2	Confident	4 Å²	4	25 Å²	25	3%	0.033	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	135.2	165.3	0	0	0	0	0	110.2	F333 Y422 W423	A326-F333 HydrophobicContact CB-CD2 3.95Å; A326-F333 HydrophobicContact CB-CE2 3.3Å; A326-F333 HydrophobicContact CB-CZ 3.72Å; A326-Y422 WeakPolarHBondContact O-CB 3.11Å; A326-W423 HydrophobicContact CB-CB 4.21Å; A326-W423 PolarHBondContact N-O 2.95Å
327	L	88.4	Confident	87.8	Confident	8 Å²	8	26.8 Å²	26.8	4%	0.042	14%	0.144	C	C	.	.	S	Bend	trans	-82.5	-26.9	172	-59.1	170.9	0	0	0	110.9	W222 I244 L247 V248 Y251 C302 L304	W222-L327 HydrophobicContact CH2-CD1 3.94Å; W222-L327 HydrophobicContact CZ2-CD1 3.45Å; W222-L327 VanDerWaalsContact CZ2-CD1 3.45Å; I244-L327 HydrophobicContact CG2-CD2 4.42Å; L247-L327 HydrophobicContact CD2-CD1 3.51Å; L247-L327 HydrophobicContact CD2-CD2 4.47Å; L247-L327 HydrophobicContact CG-CD1 3.96Å; V248-L327 HydrophobicContact CG2-CB 4.46Å; V248-L327 HydrophobicContact CG2-CD2 3.81Å; Y251-L327 HydrophobicContact CD2-CB 3.66Å; Y251-L327 HydrophobicContact CD2-CD1 4.09Å; Y251-L327 HydrophobicContact CE2-CB 4Å; Y251-L327 HydrophobicContact CE2-CD1 3.6Å; Y251-L327 HydrophobicContact CE2-CG 4.46Å; Y251-L327 HydrophobicContact CG-CB 4.46Å; C302-L327 WeakPolarHBondContact O-CB 3.5Å; C302-L327 PolarHBondContact O-N 3.45Å; L304-L327 HydrophobicContact CB-CD2 4.13Å; L304-L327 HydrophobicContact CB-CG 4.38Å; L304-L327 HydrophobicContact CD1-CD2 4.47Å
328	A	82.3	Confident	88.4	Confident	1 Å²	1	22.7 Å²	22.7	1%	0.008	12%	0.122	C	C	.	.			trans	-85.6	122.2	175.3	0	0	0	0	0	111.2	M299 C302	M299-A328 HydrophobicContact CE-CB 3.76Å; M299-A328 HydrophobicContact SD-CB 3.22Å; M299-A328 WeakPolarHBondContact SD-CB 3.35Å; C302-A328 HydrophobicContact CB-CB 4.07Å
329	R	76.8	Confident	88.8	Confident	56 Å²	56	20.1 Å²	20.1	21%	0.211	11%	0.108	C	C	.	.	S	Bend	trans	-88.9	-14	-176	-57.4	-175.2	152.1	139.2	-0.6	113.8	E93 V248 N420 R421	E93-R329 WeakPolarHBondContact OE1-CD 3.12Å; E93-R329 IonicContact OE1-CZ 3.71Å; E93-R329 IonicContact OE1-NE 2.98Å; E93-R329 IonicContact OE1-NH1 2.63Å; E93-R329 PolarHBondContact OE1-NH1 3.4Å; E93-R329 IonicContact OE2-NH1 3.29Å; V248-R329 VanDerWaalsContact CG1-NH1 3.29Å; R329-N420 PolarHBondContact NH2-O 3.42Å; R329-R421 VanDerWaalsContact CD-O 3.31Å; R329-R421 WeakPolarHBondContact CD-O 3.41Å; R329-R421 WeakPolarHBondContact CG-O 3.47Å; R329-R421 PolarHBondContact NE-O 3.05Å
330	G	74.1	Confident	89.2	Confident	5 Å²	5	16.1 Å²	16.1	5%	0.052	9%	0.087	C	C	.	.	S	Bend	trans	-95.4	-6.4	-172.3	0	0	0	0	0	116.5
331	V	84.2	Confident	89.6	Confident	7 Å²	7	14.8 Å²	14.8	4%	0.042	8%	0.081	C	C	.	.	S	Bend	trans	-117.1	144.2	-173.7	-174.1	0	0	0	0	110.5	M299 W423 M479	M299-V331 HydrophobicContact CG-CG2 4.5Å; M299-V331 HydrophobicContact SD-CG2 4.1Å; V331-W423 PolarHBondContact O-NE1 3.27Å; V331-M479 HydrophobicContact CG1-CB 3.89Å; V331-M479 HydrophobicContact CG1-CG 4.14Å; V331-M479 HydrophobicContact CG1-SD 4.07Å
332	V	91.6	Very high	89.8	Confident	1 Å²	1	14.1 Å²	14.1	1%	0.006	7%	0.074	C	C	.	.			trans	-94.5	131.5	176.7	-176.8	0	0	0	0	110.2	L32 Y33 F36 N101 W423 F480	L32-V332 HydrophobicContact CB-CG2 4.21Å; Y33-V332 HydrophobicContact CD2-CG1 3.92Å; F36-V332 HydrophobicContact CD2-CB 4.09Å; F36-V332 HydrophobicContact CD2-CG1 4.2Å; F36-V332 HydrophobicContact CD2-CG2 4.28Å; F36-V332 HydrophobicContact CE2-CB 4.27Å; F36-V332 HydrophobicContact CE2-CG2 4.09Å; N101-V332 WeakPolarHBondContact OD1-CG2 3.17Å; V332-W423 HydrophobicContact CB-CZ2 4.49Å; V332-W423 HydrophobicContact CG1-CH2 4.4Å; V332-W423 HydrophobicContact CG1-CZ2 3.9Å; V332-W423 HydrophobicContact CG2-CZ2 4.18Å; V332-F480 HydrophobicContact CB-CD2 4.2Å; V332-F480 HydrophobicContact CG1-CD2 3.93Å; V332-F480 HydrophobicContact CG1-CE2 4.21Å; V332-F480 WeakPolarHBondContact O-CD2 3.31Å; V332-F480 PolarHBondContact O-N 3.47Å
333	F	93.3	Very high	89.8	Confident	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	139.8	178.3	-70.6	-95	0	0	0	110.6	Y33 V303 A326 F336 P414 W423 A477 T478 M479	Y33-F333 VanDerWaalsContact CD2-O 3.26Å; Y33-F333 WeakPolarHBondContact CD2-O 3.5Å; Y33-F333 WeakPolarHBondContact CE2-O 3.5Å; V303-F333 HydrophobicContact CG2-CE1 4.25Å; A326-F333 HydrophobicContact CB-CD2 3.95Å; A326-F333 HydrophobicContact CB-CE2 3.3Å; A326-F333 HydrophobicContact CB-CZ 3.72Å; F333-F336 HydrophobicContact CB-CE2 3.77Å; F333-F336 HydrophobicContact CB-CZ 4.4Å; F333-F336 HydrophobicContact CD1-CE2 4.23Å; F333-F336 HydrophobicContact CD1-CZ 4.15Å; F333-F336 AromaticContact CG-CE2 4Å; F333-F336 HydrophobicContact CG-CE2 4Å; F333-F336 HydrophobicContact CG-CZ 4.12Å; F333-P414 HydrophobicContact CB-CG 4.11Å; F333-P414 VanDerWaalsContact O-CG 3.24Å; F333-P414 WeakPolarHBondContact O-CG 3.08Å; F333-W423 HydrophobicContact CD2-CB 3.94Å; F333-W423 HydrophobicContact CD2-CG 4.15Å; F333-A477 HydrophobicContact CD1-CB 3.67Å; F333-A477 HydrophobicContact CE1-CB 3.77Å; F333-T478 CarbonylContact C-O 3.59Å; F333-T478 WeakPolarHBondContact CA-O 3.48Å; F333-M479 HydrophobicContact CD1-CB 3.91Å; F333-M479 HydrophobicContact CE1-CB 3.95Å; F333-M479 HydrophobicContact CE1-CE 4.4Å; F333-M479 HydrophobicContact CG-CB 4.47Å; F333-M479 HydrophobicContact CZ-CB 4.5Å
334	K	94.1	Very high	89.9	Confident	46 Å²	46	18.9 Å²	18.9	20%	0.2	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	-52.9	173.4	178.1	-165.6	164.5	-146.7	0	110.7	Y33 V42 P414 T478 F480 F486	Y33-K334 PolarHBondContact OH-O 3.36Å; Y33-K334 VanDerWaalsContact OH-O 3.09Å; V42-K334 HydrophobicContact CG1-CG 4.16Å; V42-K334 HydrophobicContact CG2-CD 4.11Å; V42-K334 HydrophobicContact CG2-CG 4.19Å; K334-P414 VanDerWaalsContact O-CD 3.28Å; K334-P414 WeakPolarHBondContact O-CD 3.36Å; K334-T478 HydrophobicContact CB-CG2 4.41Å; K334-T478 HydrophobicContact CD-CG2 4.16Å; K334-T478 PolarHBondContact N-O 3.21Å; K334-F480 HydrophobicContact CB-CD2 4.45Å; K334-F480 HydrophobicContact CB-CE1 4.27Å; K334-F480 HydrophobicContact CB-CE2 3.81Å; K334-F480 HydrophobicContact CB-CZ 3.7Å; K334-F480 HydrophobicContact CG-CE1 4.48Å; K334-F480 HydrophobicContact CG-CZ 3.97Å; K334-F486 HydrophobicContact CD-CD1 4.37Å; K334-F486 HydrophobicContact CD-CE1 3.76Å; K334-F486 HydrophobicContact CD-CZ 3.99Å
335	D	94.3	Very high	90	Very high	9 Å²	9	19.7 Å²	19.7	5%	0.048	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	160.4	-171.4	54.6	44.9	0	0	0	112.4	I411 Y413 A477 T478	D335-I411 HydrophobicContact CB-CG2 3.69Å; D335-Y413 HydrophobicContact CB-CD1 4.42Å; D335-Y413 HydrophobicContact CB-CE1 4.43Å; D335-A477 WeakPolarHBondContact O-CA 3.33Å; D335-T478 PolarHBondContact O-N 2.97Å; D335-T478 WeakPolarHBondContact OD1-CB 3.48Å; D335-T478 PolarHBondContact OD1-OG1 2.99Å
336	F	94.9	Very high	90.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	110.6	169.4	-73	-109.8	0	0	0	108.4	V303 C324 F333 I411 I412 P414 A425 I475 A477	V303-F336 HydrophobicContact CG1-CD1 4.32Å; V303-F336 HydrophobicContact CG1-CE1 3.8Å; V303-F336 HydrophobicContact CG2-CE1 4.34Å; C324-F336 HydrophobicContact CB-CD1 3.69Å; C324-F336 HydrophobicContact CB-CE1 4.02Å; F333-F336 HydrophobicContact CB-CE2 3.77Å; F333-F336 HydrophobicContact CB-CZ 4.4Å; F333-F336 HydrophobicContact CD1-CE2 4.23Å; F333-F336 HydrophobicContact CD1-CZ 4.15Å; F333-F336 AromaticContact CG-CE2 4Å; F333-F336 HydrophobicContact CG-CE2 4Å; F333-F336 HydrophobicContact CG-CZ 4.12Å; F336-I411 WeakPolarHBondContact O-CA 3.49Å; F336-I412 PolarHBondContact N-O 2.96Å; F336-I412 PolarHBondContact O-N 3.45Å; F336-P414 HydrophobicContact CD2-CB 3.98Å; F336-P414 HydrophobicContact CD2-CG 4.46Å; F336-P414 HydrophobicContact CE2-CB 3.73Å; F336-P414 HydrophobicContact CE2-CG 4.35Å; F336-A425 HydrophobicContact CB-CB 3.61Å; F336-A425 HydrophobicContact CD1-CB 4.01Å; F336-A425 HydrophobicContact CD2-CB 3.53Å; F336-A425 HydrophobicContact CE2-CB 4.2Å; F336-A425 HydrophobicContact CG-CB 3.43Å; F336-A425 VanDerWaalsContact CG-CB 3.43Å; F336-I475 HydrophobicContact CD1-CG2 4.01Å; F336-A477 HydrophobicContact CD1-CB 3.74Å; F336-A477 HydrophobicContact CD2-CB 4.49Å; F336-A477 HydrophobicContact CE1-CB 3.65Å; F336-A477 HydrophobicContact CE2-CB 4.4Å; F336-A477 HydrophobicContact CG-CB 4.17Å; F336-A477 HydrophobicContact CZ-CB 4Å
337	E	94.4	Very high	90.3	Very high	45 Å²	45	24 Å²	24	21%	0.21	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	126.4	174.5	-178.2	174.8	-158.9	0	0	109.5	S409 V410 I475 K476	E337-S409 WeakPolarHBondContact OE1-CB 3.36Å; E337-S409 PolarHBondContact OE1-OG 3.26Å; E337-V410 WeakPolarHBondContact CA-O 3.41Å; E337-I475 WeakPolarHBondContact O-CA 3.33Å; E337-K476 HydrophobicContact CB-CB 4.3Å; E337-K476 PolarHBondContact N-O 3.4Å; E337-K476 PolarHBondContact O-N 3.43Å; E337-K476 IonicContact OE2-NZ 2.73Å
338	I	94	Very high	90.5	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	127.6	179.9	-62.2	150.3	0	0	0	109	M322 L374 S409 V410 I412 F473 H474 I475	M322-I338 HydrophobicContact CE-CG2 4.29Å; M322-I338 HydrophobicContact CG-CD1 3.62Å; M322-I338 HydrophobicContact CG-CG1 4.49Å; I338-L374 HydrophobicContact CG2-CD1 4Å; I338-S409 CarbonylContact O-C 3.56Å; I338-S409 VanDerWaalsContact O-CA 3.26Å; I338-S409 WeakPolarHBondContact O-CA 3.31Å; I338-V410 HydrophobicContact CB-CG2 4Å; I338-V410 PolarHBondContact N-O 3.19Å; I338-V410 PolarHBondContact O-N 3.14Å; I338-I412 HydrophobicContact CD1-CD1 3.24Å; I338-I412 HydrophobicContact CD1-CG1 3.94Å; I338-F473 HydrophobicContact CG2-CD1 3.8Å; I338-F473 HydrophobicContact CG2-CE1 4.42Å; I338-H474 WeakPolarHBondContact CA-O 3.49Å; I338-I475 HydrophobicContact CG1-CG1 4.36Å
339	Q	93.7	Very high	91.1	Very high	18 Å²	18	29 Å²	29	8%	0.084	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	146.6	178.6	-178	174.3	20.4	0	0	109.6	V341 V368 S370 F473 H474	Q339-V341 HydrophobicContact CG-CG1 4.02Å; Q339-V368 PolarHBondContact NE2-O 3.43Å; Q339-S370 VanDerWaalsContact NE2-CA 3.31Å; Q339-S370 VanDerWaalsContact NE2-N 3.12Å; Q339-F473 CarbonylContact O-C 3.57Å; Q339-F473 WeakPolarHBondContact O-CA 3.4Å; Q339-H474 PolarHBondContact N-O 3.01Å; Q339-H474 PolarHBondContact O-N 3.32Å
340	V	93.3	Very high	91.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	127.7	168.8	178.9	0	0	0	0	108.1	S370 A371 A372 L374 F471 Y472 F473 F496 I498	V340-S370 CarbonylContact O-C 3.49Å; V340-S370 WeakPolarHBondContact O-CA 3.28Å; V340-S370 PolarHBondContact O-OG 3.03Å; V340-A371 HydrophobicContact CG1-CB 4.37Å; V340-A371 PolarHBondContact O-N 3.46Å; V340-A372 HydrophobicContact CB-CB 3.92Å; V340-A372 HydrophobicContact CG1-CB 3.88Å; V340-A372 HydrophobicContact CG2-CB 4.27Å; V340-L374 HydrophobicContact CG2-CD1 4.08Å; V340-L374 HydrophobicContact CG2-CD2 3.81Å; V340-L374 HydrophobicContact CG2-CG 4.02Å; V340-F471 HydrophobicContact CG1-CB 3.93Å; V340-F471 HydrophobicContact CG1-CD1 4.16Å; V340-F471 HydrophobicContact CG1-CG 4.24Å; V340-Y472 WeakPolarHBondContact CA-O 3.26Å; V340-F473 HydrophobicContact CG2-CD1 3.88Å; V340-F473 HydrophobicContact CG2-CE1 3.66Å; V340-F496 HydrophobicContact CG1-CE2 4.47Å; V340-F496 HydrophobicContact CG1-CZ 3.94Å; V340-F496 HydrophobicContact CG2-CZ 4.29Å; V340-I498 HydrophobicContact CG1-CD1 4.01Å
341	V	93.4	Very high	92.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	155.5	-179.9	-61.7	0	0	0	0	111	Q339 T345 A346 I349 V368 F471 Y472 H474 L492	Q339-V341 HydrophobicContact CG-CG1 4.02Å; V341-T345 HydrophobicContact CB-CG2 3.86Å; V341-T345 HydrophobicContact CG1-CG2 3.95Å; V341-A346 HydrophobicContact CG2-CB 4.08Å; V341-I349 HydrophobicContact CG1-CD1 4.17Å; V341-I349 HydrophobicContact CG2-CD1 4.22Å; V341-V368 HydrophobicContact CG1-CG2 4.27Å; V341-F471 VanDerWaalsContact O-CA 3.32Å; V341-F471 WeakPolarHBondContact O-CA 3.43Å; V341-F471 WeakPolarHBondContact O-CB 3.31Å; V341-Y472 PolarHBondContact N-O 3.43Å; V341-Y472 PolarHBondContact O-N 2.99Å; V341-H474 HydrophobicContact CG1-CB 3.95Å; V341-H474 HydrophobicContact CG2-CB 4.13Å; V341-L492 HydrophobicContact CG2-CD2 4.23Å
342	S	92.3	Very high	93.1	Very high	32 Å²	32	31.8 Å²	31.8	22%	0.224	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	166.8	174	62.1	0	0	0	0	111.3	E344 T345 A346	S342-E344 PolarHBondContact O-N 3.08Å; S342-T345 PolarHBondContact O-N 3.38Å; S342-T345 PolarHBondContact OG-N 3.43Å; S342-T345 PolarHBondContact OG-OG1 3.34Å; S342-T345 VanDerWaalsContact OG-OG1 3.1Å; S342-A346 WeakPolarHBondContact O-CB 3.1Å; S342-A346 PolarHBondContact O-N 3Å
343	E	90.1	Very high	93.1	Very high	46 Å²	46	32.1 Å²	32.1	22%	0.215	16%	0.163	C	C	.	.	H	α-helix	trans	-49.3	-54.2	170.9	-167.8	170.7	-158.2	0	0	111.7	T345 A346 E347 K467 I470	E343-T345 PolarHBondContact O-N 3.32Å; E343-A346 WeakPolarHBondContact O-CB 2.99Å; E343-A346 PolarHBondContact O-N 3.38Å; E343-A346 VanDerWaalsContact O-N 3.09Å; E343-E347 WeakPolarHBondContact O-CG 3.41Å; E343-E347 PolarHBondContact O-N 3.44Å; E343-K467 IonicContact OE1-NZ 3.02Å; E343-K467 PolarHBondContact OE1-NZ 3.35Å; E343-K467 IonicContact OE2-NZ 2.78Å; E343-K467 PolarHBondContact OE2-NZ 2.96Å; E343-I470 HydrophobicContact CB-CD1 4.38Å; E343-I470 HydrophobicContact CB-CG1 3.86Å; E343-I470 VanDerWaalsContact CD-CD1 3.41Å; E343-I470 HydrophobicContact CG-CD1 3.86Å; E343-I470 HydrophobicContact CG-CG1 3.88Å; E343-I470 WeakPolarHBondContact OE1-CD1 3.34Å
344	E	90.6	Very high	92.9	Very high	108 Å²	108	34.8 Å²	34.8	51%	0.505	18%	0.181	S	C	.	.	H	α-helix	trans	-58.9	-42	178.3	-177.9	-174.3	-176.3	0	0	113.3	S342 A346 E347 H348	S342-E344 PolarHBondContact O-N 3.08Å; E344-A346 VanDerWaalsContact C-N 3.33Å; E344-E347 WeakPolarHBondContact O-CB 3.19Å; E344-E347 PolarHBondContact O-N 3.32Å; E344-H348 PolarHBondContact O-N 3.06Å
345	T	93	Very high	92.7	Very high	17 Å²	17	37.5 Å²	37.5	10%	0.104	19%	0.191	C	C	.	.	H	α-helix	trans	-70	-34.1	177.7	-60.8	0	0	0	0	111.2	V341 S342 E343 H348 I349 V368	V341-T345 HydrophobicContact CB-CG2 3.86Å; V341-T345 HydrophobicContact CG1-CG2 3.95Å; S342-T345 PolarHBondContact O-N 3.38Å; S342-T345 PolarHBondContact OG-N 3.43Å; S342-T345 PolarHBondContact OG-OG1 3.34Å; S342-T345 VanDerWaalsContact OG-OG1 3.1Å; E343-T345 PolarHBondContact O-N 3.32Å; T345-H348 PolarHBondContact O-N 3.35Å; T345-I349 HydrophobicContact CG2-CD1 4.13Å; T345-I349 WeakPolarHBondContact O-CD1 3.25Å; T345-I349 VanDerWaalsContact O-CG1 3.25Å; T345-I349 WeakPolarHBondContact O-CG1 3.42Å; T345-I349 PolarHBondContact O-N 2.92Å; T345-V368 HydrophobicContact CG2-CB 3.68Å; T345-V368 HydrophobicContact CG2-CG1 4.16Å; T345-V368 HydrophobicContact CG2-CG2 4.2Å
346	A	93.9	Very high	92.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-66	-40	174.5	0	0	0	0	0	111.8	V341 S342 E343 E344 I349 Q350 Y472 L492 L532	V341-A346 HydrophobicContact CG2-CB 4.08Å; S342-A346 WeakPolarHBondContact O-CB 3.1Å; S342-A346 PolarHBondContact O-N 3Å; E343-A346 WeakPolarHBondContact O-CB 2.99Å; E343-A346 PolarHBondContact O-N 3.38Å; E343-A346 VanDerWaalsContact O-N 3.09Å; E344-A346 VanDerWaalsContact C-N 3.33Å; A346-I349 PolarHBondContact O-N 3.13Å; A346-Q350 WeakPolarHBondContact O-CB 3.46Å; A346-Q350 PolarHBondContact O-N 2.81Å; A346-Y472 HydrophobicContact CB-CD2 3.57Å; A346-Y472 HydrophobicContact CB-CE2 4.14Å; A346-Y472 HydrophobicContact CB-CG 3.9Å; A346-L492 HydrophobicContact CB-CD1 4.08Å; A346-L492 HydrophobicContact CB-CD2 4.19Å; A346-L532 HydrophobicContact CB-CD2 3.75Å
347	E	93.5	Very high	91.8	Very high	104 Å²	104	38.8 Å²	38.8	49%	0.486	20%	0.195	S	C	.	.	H	α-helix	trans	-58.3	-45.7	170.7	-70.5	170	-175.9	0	0	111.8	E343 E344 Q350 S351 L532	E343-E347 WeakPolarHBondContact O-CG 3.41Å; E343-E347 PolarHBondContact O-N 3.44Å; E344-E347 WeakPolarHBondContact O-CB 3.19Å; E344-E347 PolarHBondContact O-N 3.32Å; E347-Q350 PolarHBondContact O-N 2.87Å; E347-S351 WeakPolarHBondContact O-CB 3.32Å; E347-S351 PolarHBondContact O-N 2.85Å; E347-L532 HydrophobicContact CB-CD1 4.2Å; E347-L532 HydrophobicContact CG-CD1 3.56Å
348	H	93.8	Very high	91.3	Very high	114 Å²	114	43.5 Å²	43.5	53%	0.528	22%	0.221	S	C	.	.	H	α-helix	trans	-60.8	-46.3	176.1	-177.8	65.9	0	0	0	112.4	E344 T345 Q350 S351 E352	E344-H348 PolarHBondContact O-N 3.06Å; T345-H348 PolarHBondContact O-N 3.35Å; H348-Q350 PolarHBondContact O-N 3.37Å; H348-S351 PolarHBondContact O-N 2.99Å; H348-E352 WeakPolarHBondContact O-CB 3.44Å; H348-E352 PolarHBondContact O-N 3.36Å
349	I	94.1	Very high	90.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.4	-46.5	177.2	-66.9	160.8	0	0	0	110.7	V341 T345 A346 S351 E352 M353 I365 V368 H474 L492	V341-I349 HydrophobicContact CG1-CD1 4.17Å; V341-I349 HydrophobicContact CG2-CD1 4.22Å; T345-I349 HydrophobicContact CG2-CD1 4.13Å; T345-I349 WeakPolarHBondContact O-CD1 3.25Å; T345-I349 VanDerWaalsContact O-CG1 3.25Å; T345-I349 WeakPolarHBondContact O-CG1 3.42Å; T345-I349 PolarHBondContact O-N 2.92Å; A346-I349 PolarHBondContact O-N 3.13Å; I349-S351 PolarHBondContact O-N 3.44Å; I349-E352 PolarHBondContact O-N 2.92Å; I349-M353 HydrophobicContact CG2-CG 4.42Å; I349-M353 HydrophobicContact CG2-SD 4.05Å; I349-M353 VanDerWaalsContact O-CG 3.3Å; I349-M353 WeakPolarHBondContact O-CG 3.37Å; I349-M353 PolarHBondContact O-N 2.81Å; I349-I365 HydrophobicContact CG2-CD1 4.12Å; I349-V368 HydrophobicContact CD1-CG1 4.37Å; I349-V368 HydrophobicContact CD1-CG2 4.03Å; I349-V368 HydrophobicContact CG1-CG1 3.93Å; I349-V368 HydrophobicContact CG1-CG2 4.44Å; I349-H474 HydrophobicContact CD1-CB 4.12Å; I349-L492 HydrophobicContact CD1-CD2 4.43Å
350	Q	93.4	Very high	90.3	Very high	20 Å²	20	49.1 Å²	49.1	9%	0.093	25%	0.25	C	C	.	.	H	α-helix	trans	-63.1	-41.4	178.3	173.7	164.1	-73.6	0	0	112.1	A346 E347 H348 E352 M353 S354 L492 D529 L532	A346-Q350 WeakPolarHBondContact O-CB 3.46Å; A346-Q350 PolarHBondContact O-N 2.81Å; E347-Q350 PolarHBondContact O-N 2.87Å; H348-Q350 PolarHBondContact O-N 3.37Å; Q350-E352 VanDerWaalsContact C-N 3.31Å; Q350-E352 PolarHBondContact O-N 3.42Å; Q350-M353 PolarHBondContact O-N 2.95Å; Q350-S354 WeakPolarHBondContact O-CB 3.48Å; Q350-S354 PolarHBondContact O-N 3.16Å; Q350-S354 PolarHBondContact O-OG 2.73Å; Q350-L492 HydrophobicContact CB-CD1 4.5Å; Q350-D529 PolarHBondContact NE2-O 3.37Å; Q350-D529 PolarHBondContact OE1-O 3.05Å; Q350-L532 HydrophobicContact CB-CD1 4.37Å
351	S	92.3	Very high	89.7	Confident	78 Å²	78	54.8 Å²	54.8	55%	0.545	28%	0.276	S	S	.	.	H	α-helix	trans	-59.5	-43.8	175.3	-177	0	0	0	0	111	E347 H348 I349 S354 R355	E347-S351 WeakPolarHBondContact O-CB 3.32Å; E347-S351 PolarHBondContact O-N 2.85Å; H348-S351 PolarHBondContact O-N 2.99Å; I349-S351 PolarHBondContact O-N 3.44Å; S351-S354 WeakPolarHBondContact O-CB 3.42Å; S351-S354 PolarHBondContact O-N 3.22Å; S351-R355 WeakPolarHBondContact O-CB 3.26Å; S351-R355 PolarHBondContact O-N 2.65Å
352	E	92	Very high	88.9	Confident	30 Å²	30	56 Å²	56	14%	0.14	28%	0.283	C	S	.	.	H	α-helix	trans	-66.5	-42.3	176.8	-177.2	54.7	-150.1	0	0	112.5	H348 I349 Q350 S354 R355 Q356 I365	H348-E352 WeakPolarHBondContact O-CB 3.44Å; H348-E352 PolarHBondContact O-N 3.36Å; I349-E352 PolarHBondContact O-N 2.92Å; Q350-E352 VanDerWaalsContact C-N 3.31Å; Q350-E352 PolarHBondContact O-N 3.42Å; E352-S354 VanDerWaalsContact C-N 3.25Å; E352-S354 PolarHBondContact O-N 3.02Å; E352-R355 VanDerWaalsContact CD-NE 3.33Å; E352-R355 WeakPolarHBondContact O-CB 3.32Å; E352-R355 PolarHBondContact O-N 2.89Å; E352-R355 IonicContact OE1-CZ 3.3Å; E352-R355 VanDerWaalsContact OE1-CZ 3.29Å; E352-R355 IonicContact OE1-NE 3.56Å; E352-R355 PolarHBondContact OE1-NE 3.34Å; E352-R355 IonicContact OE1-NH2 2.92Å; E352-R355 PolarHBondContact OE1-NH2 3.09Å; E352-R355 IonicContact OE2-CZ 3.95Å; E352-R355 IonicContact OE2-NE 3.91Å; E352-R355 PolarHBondContact OE2-NE 3.19Å; E352-R355 IonicContact OE2-NH2 3.07Å; E352-Q356 WeakPolarHBondContact O-CG 3.21Å; E352-Q356 PolarHBondContact O-N 3.32Å; E352-I365 HydrophobicContact CB-CG2 4.49Å; E352-I365 HydrophobicContact CG-CB 4.3Å; E352-I365 HydrophobicContact CG-CD1 4.4Å; E352-I365 HydrophobicContact CG-CG1 3.9Å; E352-I365 HydrophobicContact CG-CG2 4.04Å
353	M	90.4	Very high	88.2	Confident	7 Å²	7	55.6 Å²	55.6	3%	0.034	28%	0.283	C	S	.	.	H	α-helix	trans	-58.5	-38.9	171.5	-70.4	174.3	69.7	0	0	111.7	N301 I349 Q350 R357 I365 H490 L531	N301-M353 HydrophobicContact CB-CE 4.32Å; I349-M353 HydrophobicContact CG2-CG 4.42Å; I349-M353 HydrophobicContact CG2-SD 4.05Å; I349-M353 VanDerWaalsContact O-CG 3.3Å; I349-M353 WeakPolarHBondContact O-CG 3.37Å; I349-M353 PolarHBondContact O-N 2.81Å; Q350-M353 PolarHBondContact O-N 2.95Å; M353-R357 PolarHBondContact O-N 2.79Å; M353-I365 HydrophobicContact CG-CD1 3.56Å; M353-H490 HydrophobicContact CE-CB 3.99Å; M353-H490 WeakPolarHBondContact CE-O 3.36Å; M353-H490 HydrophobicContact CG-CB 4.25Å; M353-H490 HydrophobicContact SD-CB 3.8Å; M353-L531 HydrophobicContact CE-CD1 4.01Å; M353-L531 HydrophobicContact SD-CD1 4.34Å
354	S	89.6	Confident	87.7	Confident	56 Å²	56	58.6 Å²	58.6	39%	0.392	31%	0.306	S	S	.	.	H	α-helix	trans	-71.9	-39	179.2	-56.2	0	0	0	0	111.4	Q350 S351 E352 Q356 R357 L358	Q350-S354 WeakPolarHBondContact O-CB 3.48Å; Q350-S354 PolarHBondContact O-N 3.16Å; Q350-S354 PolarHBondContact O-OG 2.73Å; S351-S354 WeakPolarHBondContact O-CB 3.42Å; S351-S354 PolarHBondContact O-N 3.22Å; E352-S354 VanDerWaalsContact C-N 3.25Å; E352-S354 PolarHBondContact O-N 3.02Å; S354-Q356 VanDerWaalsContact C-N 3.34Å; S354-Q356 PolarHBondContact O-N 3.33Å; S354-R357 PolarHBondContact O-N 3.14Å; S354-L358 PolarHBondContact O-N 3.27Å
355	R	89.3	Confident	87.5	Confident	104 Å²	104	54 Å²	54	39%	0.392	29%	0.285	S	S	.	.	H	α-helix	trans	-58.7	-43.7	174.6	-170.1	-171.8	71.9	81.8	0.9	111.6	S351 E352 R357 L358 L359	S351-R355 WeakPolarHBondContact O-CB 3.26Å; S351-R355 PolarHBondContact O-N 2.65Å; E352-R355 VanDerWaalsContact CD-NE 3.33Å; E352-R355 WeakPolarHBondContact O-CB 3.32Å; E352-R355 PolarHBondContact O-N 2.89Å; E352-R355 IonicContact OE1-CZ 3.3Å; E352-R355 VanDerWaalsContact OE1-CZ 3.29Å; E352-R355 IonicContact OE1-NE 3.56Å; E352-R355 PolarHBondContact OE1-NE 3.34Å; E352-R355 IonicContact OE1-NH2 2.92Å; E352-R355 PolarHBondContact OE1-NH2 3.09Å; E352-R355 IonicContact OE2-CZ 3.95Å; E352-R355 IonicContact OE2-NE 3.91Å; E352-R355 PolarHBondContact OE2-NE 3.19Å; E352-R355 IonicContact OE2-NH2 3.07Å; R355-R357 VanDerWaalsContact C-N 3.31Å; R355-R357 PolarHBondContact O-N 3.27Å; R355-L358 PolarHBondContact O-N 3.24Å; R355-L359 HydrophobicContact CG-CD1 3.9Å; R355-L359 HydrophobicContact CG-CG 4.43Å; R355-L359 WeakPolarHBondContact O-CB 3.26Å; R355-L359 WeakPolarHBondContact O-CG 3.41Å; R355-L359 PolarHBondContact O-N 3.08Å
356	Q	86.6	Confident	86.9	Confident	5 Å²	5	55.8 Å²	55.8	2%	0.023	31%	0.306	C	S	.	.	H	α-helix	trans	-60.1	-41.1	177.4	-70	174.3	21.5	0	0	112.5	E352 S354 Q360 H361 A363	E352-Q356 WeakPolarHBondContact O-CG 3.21Å; E352-Q356 PolarHBondContact O-N 3.32Å; S354-Q356 VanDerWaalsContact C-N 3.34Å; S354-Q356 PolarHBondContact O-N 3.33Å; Q356-Q360 PolarHBondContact O-N 3.28Å; Q356-H361 PolarHBondContact O-N 2.94Å; Q356-A363 HydrophobicContact CG-CB 4.03Å; Q356-A363 PolarHBondContact NE2-O 3.18Å; Q356-A363 PolarHBondContact OE1-O 3.2Å
357	R	84.5	Confident	86.4	Confident	30 Å²	30	63.3 Å²	63.3	11%	0.113	35%	0.347	C	S	.	.	H	α-helix	trans	-69.4	-40.5	176.9	-66.6	-176.5	-165.7	155.1	12.6	112.3	N215 M219 L297 N301 M353 S354 R355 L359 Q360	N215-R357 PolarHBondContact ND2-O 3.5Å; M219-R357 PolarHBondContact SD-NH1 3.31Å; L297-R357 HydrophobicContact CD1-CG 4.5Å; N301-R357 PolarHBondContact ND2-NH2 3.45Å; M353-R357 PolarHBondContact O-N 2.79Å; S354-R357 PolarHBondContact O-N 3.14Å; R355-R357 VanDerWaalsContact C-N 3.31Å; R355-R357 PolarHBondContact O-N 3.27Å; R357-L359 VanDerWaalsContact C-N 3.34Å; R357-Q360 PolarHBondContact O-N 3.01Å
358	L	84.1	Confident	86.1	Confident	145 Å²	145	59.3 Å²	59.3	76%	0.759	33%	0.329	S	S	*	.	H	α-helix	trans	-62.7	-42.5	176.6	-176.8	65.9	0	0	0	111.6	S354 R355 Q360	S354-L358 PolarHBondContact O-N 3.27Å; R355-L358 PolarHBondContact O-N 3.24Å; L358-Q360 PolarHBondContact O-N 3.37Å
359	L	82.8	Confident	85.8	Confident	100 Å²	100	57.9 Å²	57.9	52%	0.524	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-2.1	178.1	-64.4	176	0	0	0	113.6	R355 R357 H361	R355-L359 HydrophobicContact CG-CD1 3.9Å; R355-L359 HydrophobicContact CG-CG 4.43Å; R355-L359 WeakPolarHBondContact O-CB 3.26Å; R355-L359 WeakPolarHBondContact O-CG 3.41Å; R355-L359 PolarHBondContact O-N 3.08Å; R357-L359 VanDerWaalsContact C-N 3.34Å; L359-H361 PolarHBondContact O-N 2.83Å; L359-H361 VanDerWaalsContact O-N 3.08Å
360	Q	83	Confident	85.6	Confident	35 Å²	35	58.3 Å²	58.3	16%	0.164	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	31	-179.7	-56.5	-150.9	20.3	0	0	114.5	E208 K211 T212 L297 Q356 R357 L358	E208-Q360 PolarHBondContact O-OE1 3.34Å; E208-Q360 VanDerWaalsContact OE2-CD 3.25Å; E208-Q360 PolarHBondContact OE2-OE1 3.45Å; K211-Q360 VanDerWaalsContact CB-OE1 3.27Å; K211-Q360 HydrophobicContact CD-CB 3.9Å; K211-Q360 PolarHBondContact NZ-O 3.41Å; T212-Q360 PolarHBondContact OG1-NE2 3.05Å; L297-Q360 HydrophobicContact CD2-CB 4.48Å; Q356-Q360 PolarHBondContact O-N 3.28Å; R357-Q360 PolarHBondContact O-N 3.01Å; L358-Q360 PolarHBondContact O-N 3.37Å
361	H	80.3	Confident	85.5	Confident	120 Å²	120	57.9 Å²	57.9	56%	0.556	33%	0.333	S	S	*	.	S	Bend	trans	-137	128.9	-173.7	-167.9	-72.5	0	0	0	111	Q356 L359 A363	Q356-H361 PolarHBondContact O-N 2.94Å; L359-H361 PolarHBondContact O-N 2.83Å; L359-H361 VanDerWaalsContact O-N 3.08Å; H361-A363 PolarHBondContact O-N 3.26Å
362	P	76.6	Confident	85.3	Confident	24 Å²	24	54.2 Å²	54.2	16%	0.156	31%	0.307	C	S	.	.			trans	-68.3	129.5	174.9	29.1	-33.4	0	0	0	109.8	A293 E296	A293-P362 HydrophobicContact CB-CG 4.22Å; E296-P362 HydrophobicContact CB-CB 3.91Å; E296-P362 HydrophobicContact CB-CG 4.01Å
363	A	78.9	Confident	85.2	Confident	25 Å²	25	54.4 Å²	54.4	21%	0.207	31%	0.309	C	S	.	.			trans	-135.3	148.1	174.7	0	0	0	0	0	110.1	Q356 H361 I365	Q356-A363 HydrophobicContact CG-CB 4.03Å; Q356-A363 PolarHBondContact NE2-O 3.18Å; Q356-A363 PolarHBondContact OE1-O 3.2Å; H361-A363 PolarHBondContact O-N 3.26Å; A363-I365 PolarHBondContact O-N 2.96Å
364	P	79.3	Confident	85.3	Confident	108 Å²	108	54 Å²	54	70%	0.701	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-69	133.4	171.8	28.4	-32.1	0	0	0	109.5
365	I	85.2	Confident	85.2	Confident	12 Å²	12	51.4 Å²	51.4	6%	0.062	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-71.6	130.4	166.5	-55	-171.5	0	0	0	107.6	I349 E352 M353 A363 H490	I349-I365 HydrophobicContact CG2-CD1 4.12Å; E352-I365 HydrophobicContact CB-CG2 4.49Å; E352-I365 HydrophobicContact CG-CB 4.3Å; E352-I365 HydrophobicContact CG-CD1 4.4Å; E352-I365 HydrophobicContact CG-CG1 3.9Å; E352-I365 HydrophobicContact CG-CG2 4.04Å; M353-I365 HydrophobicContact CG-CD1 3.56Å; A363-I365 PolarHBondContact O-N 2.96Å; I365-H490 HydrophobicContact CD1-CB 4.12Å
366	G	80.4	Confident	85.2	Confident	54 Å²	54	48.9 Å²	48.9	56%	0.557	28%	0.282	S	S	*	.	P	Polyproline II helix	trans	-58.8	162.3	177.1	0	0	0	0	0	112.6	V368	G366-V368 PolarHBondContact O-N 3.06Å
367	N	84.4	Confident	85	Confident	159 Å²	159	54 Å²	54	85%	0.85	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-64.8	131.4	175.4	-69.9	-17.8	0	0	0	109.9
368	V	87.2	Confident	84.7	Confident	19 Å²	19	55.9 Å²	55.9	12%	0.115	32%	0.32	C	S	.	.			trans	-112.2	148.5	-179.2	-68	0	0	0	0	110.4	Q339 V341 T345 I349 G366	Q339-V368 PolarHBondContact NE2-O 3.43Å; V341-V368 HydrophobicContact CG1-CG2 4.27Å; T345-V368 HydrophobicContact CG2-CB 3.68Å; T345-V368 HydrophobicContact CG2-CG1 4.16Å; T345-V368 HydrophobicContact CG2-CG2 4.2Å; I349-V368 HydrophobicContact CD1-CG1 4.37Å; I349-V368 HydrophobicContact CD1-CG2 4.03Å; I349-V368 HydrophobicContact CG1-CG1 3.93Å; I349-V368 HydrophobicContact CG1-CG2 4.44Å; G366-V368 PolarHBondContact O-N 3.06Å
369	P	88.1	Confident	83.9	Confident	85 Å²	85	52.9 Å²	52.9	55%	0.552	31%	0.308	S	S	*	.			trans	-68.9	141.9	179.9	28.4	-34.5	0	0	0	111.5
370	S	90.1	Very high	82.7	Confident	8 Å²	8	52.7 Å²	52.7	6%	0.056	31%	0.311	C	S	.	.			trans	-79	141.5	172	-163.7	0	0	0	0	110.7	Q339 V340 A372 E408 Q436	Q339-S370 VanDerWaalsContact NE2-CA 3.31Å; Q339-S370 VanDerWaalsContact NE2-N 3.12Å; V340-S370 CarbonylContact O-C 3.49Å; V340-S370 WeakPolarHBondContact O-CA 3.28Å; V340-S370 PolarHBondContact O-OG 3.03Å; S370-A372 PolarHBondContact OG-O 3.2Å; S370-E408 PolarHBondContact OG-O 3.45Å; S370-Q436 PolarHBondContact O-OE1 3.33Å
371	A	89.6	Confident	81	Confident	12 Å²	12	55 Å²	55	10%	0.099	35%	0.345	C	S	.	.	S	Bend	trans	-93.5	-16.5	173	0	0	0	0	0	112.2	V340 Q436 F471	V340-A371 HydrophobicContact CG1-CB 4.37Å; V340-A371 PolarHBondContact O-N 3.46Å; A371-Q436 PolarHBondContact O-N 3.07Å; A371-F471 HydrophobicContact CB-CD1 3.78Å; A371-F471 HydrophobicContact CB-CE1 3.92Å
372	A	88.9	Confident	78.9	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	145.7	175.9	0	0	0	0	0	112.3	V340 S370 T434 I498	V340-A372 HydrophobicContact CB-CB 3.92Å; V340-A372 HydrophobicContact CG1-CB 3.88Å; V340-A372 HydrophobicContact CG2-CB 4.27Å; S370-A372 PolarHBondContact OG-O 3.2Å; A372-T434 CarbonylContact C-O 3.56Å; A372-T434 WeakPolarHBondContact CA-O 3.27Å; A372-I498 HydrophobicContact CB-CD1 3.87Å
373	L	90.8	Very high	77.1	Confident	34 Å²	34	63 Å²	63	18%	0.178	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	133.5	173.8	-66.9	179.6	0	0	0	111.1	K407 E408 T433 T434 Q436	L373-K407 WeakPolarHBondContact CA-O 3.48Å; L373-E408 HydrophobicContact CD2-CG 3.98Å; L373-T433 WeakPolarHBondContact CB-OG1 3.28Å; L373-T433 PolarHBondContact O-N 3.01Å; L373-T433 PolarHBondContact O-OG1 3.38Å; L373-T434 PolarHBondContact N-O 2.89Å; L373-Q436 HydrophobicContact CD2-CG 4.43Å; L373-Q436 HydrophobicContact CG-CG 4.1Å
374	L	90.9	Very high	75.1	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	152.4	175.8	-67	-179.1	0	0	0	110.9	F320 I338 V340 S406 K407 V410 L431 C432	F320-L374 HydrophobicContact CZ-CD2 4.1Å; I338-L374 HydrophobicContact CG2-CD1 4Å; V340-L374 HydrophobicContact CG2-CD1 4.08Å; V340-L374 HydrophobicContact CG2-CD2 3.81Å; V340-L374 HydrophobicContact CG2-CG 4.02Å; L374-S406 CarbonylContact O-C 3.52Å; L374-S406 WeakPolarHBondContact O-CA 3.27Å; L374-K407 PolarHBondContact N-O 2.88Å; L374-K407 PolarHBondContact O-N 2.9Å; L374-V410 HydrophobicContact CB-CG1 3.69Å; L374-V410 HydrophobicContact CB-CG2 4.26Å; L374-V410 HydrophobicContact CD1-CG2 3.9Å; L374-L431 CarbonylContact C-O 3.34Å; L374-L431 VanDerWaalsContact CA-O 3.31Å; L374-L431 WeakPolarHBondContact CA-O 3.46Å; L374-C432 HydrophobicContact CD2-CB 4.39Å
375	A	89.1	Confident	72.8	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	145.8	176.2	0	0	0	0	0	111	V404 L430 L431 T433	A375-V404 HydrophobicContact CB-CB 4.29Å; A375-V404 HydrophobicContact CB-CG1 3.26Å; A375-L430 CarbonylContact O-C 3.59Å; A375-L430 WeakPolarHBondContact O-CA 3.37Å; A375-L431 HydrophobicContact CB-CB 4.11Å; A375-L431 PolarHBondContact N-O 3.26Å; A375-L431 PolarHBondContact O-N 3.21Å; A375-T433 HydrophobicContact CB-CG2 3.81Å
376	M	87.4	Confident	70.3	Confident	51 Å²	51	79 Å²	79	25%	0.251	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	119.7	174.8	-59.3	-177.3	71.8	0	0	109.4	V410 I412 Y427 L430	M376-V410 HydrophobicContact CG-CB 4Å; M376-V410 HydrophobicContact CG-CG1 3.88Å; M376-V410 HydrophobicContact SD-CB 4.01Å; M376-V410 HydrophobicContact SD-CG1 4.42Å; M376-I412 HydrophobicContact CE-CG1 4.18Å; M376-Y427 HydrophobicContact CB-CE1 4.01Å; M376-Y427 HydrophobicContact CE-CD1 3.91Å; M376-Y427 HydrophobicContact CE-CD2 3.44Å; M376-Y427 VanDerWaalsContact CE-CD2 3.44Å; M376-Y427 HydrophobicContact CE-CE1 3.89Å; M376-Y427 HydrophobicContact CE-CE2 3.4Å; M376-Y427 VanDerWaalsContact CE-CE2 3.4Å; M376-Y427 HydrophobicContact CE-CG 3.69Å; M376-Y427 HydrophobicContact CG-CE1 4.46Å; M376-L430 HydrophobicContact CB-CD2 4.41Å; M376-L430 HydrophobicContact CG-CD2 3.63Å
377	K	84	Confident	68.1	Low	113 Å²	113	80.6 Å²	80.6	49%	0.491	46%	0.46	S	S	.	.			trans	-93.2	132.6	172.7	-169.7	178.7	-179.5	-177.6	0	109.6	L319 Y427 H429	L319-K377 HydrophobicContact CD2-CB 4.26Å; L319-K377 HydrophobicContact CD2-CD 4.18Å; K377-Y427 WeakPolarHBondContact O-CE1 3.45Å; K377-Y427 PolarHBondContact O-OH 3Å; K377-H429 HydrophobicContact CB-CB 4.18Å; K377-H429 PolarHBondContact N-O 2.97Å
378	P	76.7	Confident	65.6	Low	69 Å²	69	77.3 Å²	77.3	45%	0.448	46%	0.455	S	S	.	.			trans	-56.5	142.1	178.5	-24.1	32.8	0	0	0	112.5
379	T	67.3	Low	63	Low	83 Å²	83	81.4 Å²	81.4	51%	0.509	49%	0.485	S	S	.	.	S	Bend	trans	-75.8	-29.5	176.1	47.5	0	0	0	0	112.9	P428	T379-P428 HydrophobicContact CG2-CG 3.55Å
380	T	57.9	Low	60.2	Low	95 Å²	95	85.2 Å²	85.2	58%	0.583	50%	0.5	S	S	*	.	S	Bend	trans	-84.4	113.9	172.3	54.5	0	0	0	0	109	T382	T380-T382 PolarHBondContact O-N 2.8Å; T380-T382 PolarHBondContact O-OG1 2.88Å
381	G	47.4	Very low	57.5	Low	84 Å²	84	89.5 Å²	89.5	87%	0.866	53%	0.53	S	S	*	.			trans	-68.4	42.6	-179	0	0	0	0	0	115.4	K383	G381-K383 PolarHBondContact O-N 3.03Å
382	T	37.5	Very low	54.8	Low	116 Å²	116	96 Å²	96	71%	0.712	56%	0.563	S	S	*	*			trans	-72.6	99.3	168.5	13.7	0	0	0	0	108.3	T380 R384	T380-T382 PolarHBondContact O-N 2.8Å; T380-T382 PolarHBondContact O-OG1 2.88Å; T382-R384 PolarHBondContact O-N 2.75Å
383	K	37.2	Very low	52	Low	195 Å²	195	101.9 Å²	101.9	85%	0.848	61%	0.605	S	S	*	*			trans	-45.7	115.9	154.3	-82.5	-179.1	174.6	177.9	0	106.2	G381 S385	G381-K383 PolarHBondContact O-N 3.03Å; K383-S385 VanDerWaalsContact C-N 3.32Å; K383-S385 PolarHBondContact O-N 2.78Å
384	R	38.6	Very low	49.2	Very low	228 Å²	228	104.9 Å²	104.9	86%	0.86	63%	0.634	S	S	*	*			trans	-58.7	107.5	160.2	-74.1	-175.2	-168.6	-178.6	2.5	105.5	T382 N386	T382-R384 PolarHBondContact O-N 2.75Å; R384-N386 PolarHBondContact O-N 3.11Å
385	S	29.5	Very low	46.6	Very low	100 Å²	100	112.3 Å²	112.3	70%	0.699	67%	0.674	S	S	*	*			trans	-67.3	82.7	168.8	166.6	0	0	0	0	107.5	K383 A387	K383-S385 VanDerWaalsContact C-N 3.32Å; K383-S385 PolarHBondContact O-N 2.78Å; S385-A387 PolarHBondContact O-N 2.96Å
386	N	32.7	Very low	43.7	Very low	155 Å²	155	119.8 Å²	119.8	83%	0.829	71%	0.714	S	S	*	*			trans	-86.2	70.7	154.8	-76.8	7.8	0	0	0	106.7	R384	R384-N386 PolarHBondContact O-N 3.11Å
387	A	34	Very low	41	Very low	87 Å²	87	124.3 Å²	124.3	72%	0.719	75%	0.745	S	S	*	*			trans	-106.4	86.2	166.4	0	0	0	0	0	107.7	S385	S385-A387 PolarHBondContact O-N 2.96Å
388	A	32.3	Very low	38.4	Very low	89 Å²	89	122.7 Å²	122.7	74%	0.736	75%	0.752	S	S	*	*			trans	-141	116.3	149.8	0	0	0	0	0	107.3
389	S	33.3	Very low	36.4	Very low	106 Å²	106	128 Å²	128	74%	0.741	77%	0.771	S	S	*	*	S	Bend	trans	59	90.8	165	64.1	0	0	0	0	119.6
390	N	28.7	Very low	34.9	Very low	165 Å²	165	132.9 Å²	132.9	88%	0.882	79%	0.785	S	S	*	*				176.1	138.6	94.8	-98.5	-4.8	0	0	0	111.3
391	S	34.6	Very low	34.2	Very low	97 Å²	97	138.8 Å²	138.8	68%	0.678	80%	0.803	S	S	*	*			trans	-75.2	161	-172.8	50.8	0	0	0	0	113.9
392	D	31.8	Very low	33.8	Very low	148 Å²	148	138.4 Å²	138.4	79%	0.791	79%	0.787	S	S	*	*			trans	82.2	84.7	157.6	-51.9	-35.7	0	0	0	119
393	S	30.1	Very low	34.4	Very low	125 Å²	125	140.7 Å²	140.7	87%	0.874	80%	0.795	S	S	*	*			trans	-171	117.3	133.7	32.6	0	0	0	0	111
394	A	33.1	Very low	35.4	Very low	97 Å²	97	134.8 Å²	134.8	80%	0.802	78%	0.775	S	S	*	*			trans	-76.1	145.9	177.3	0	0	0	0	0	112.3
395	N	35.5	Very low	37	Very low	155 Å²	155	129.6 Å²	129.6	83%	0.829	76%	0.764	S	S	*	*			trans	52.8	82.9	158.9	-76.4	-5.1	0	0	0	118.7
396	N	28.4	Very low	39.6	Very low	157 Å²	157	126.9 Å²	126.9	84%	0.84	75%	0.745	S	S	*	*			trans	-148.3	105.8	140.1	-96.5	-31.6	0	0	0	108.9	A398	N396-A398 PolarHBondContact O-N 3.35Å
397	T	31.6	Very low	42.3	Very low	147 Å²	147	123.6 Å²	123.6	90%	0.902	72%	0.723	S	S	*	*			trans	-75.4	48.8	168.3	43.9	0	0	0	0	111.2	H399	T397-H399 PolarHBondContact O-N 2.62Å
398	A	29.3	Very low	45	Very low	79 Å²	79	124.7 Å²	124.7	65%	0.653	71%	0.713	S	S	*	*			trans	-76.2	106.2	152.1	0	0	0	0	0	105.3	N396 K400	N396-A398 PolarHBondContact O-N 3.35Å; A398-K400 PolarHBondContact O-N 2.99Å
399	H	34.3	Very low	47.8	Very low	180 Å²	180	121.7 Å²	121.7	83%	0.833	69%	0.687	S	S	*	*			trans	-47.4	103.4	172.1	-83.3	-83	0	0	0	109.2	T397 K401	T397-H399 PolarHBondContact O-N 2.62Å; H399-K401 PolarHBondContact O-N 3.19Å; H399-K401 VanDerWaalsContact O-N 3.11Å
400	K	36	Very low	50.7	Low	186 Å²	186	116.9 Å²	116.9	81%	0.809	65%	0.653	S	S	*	*			trans	-49.6	120.9	162.8	-92	179.8	173	177.1	0	106.2	A398 S402	A398-K400 PolarHBondContact O-N 2.99Å; K400-S402 WeakPolarHBondContact O-CB 3.24Å; K400-S402 PolarHBondContact O-N 3.33Å; K400-S402 PolarHBondContact O-OG 3.33Å
401	K	42.5	Very low	53.7	Low	219 Å²	219	111.4 Å²	111.4	95%	0.952	62%	0.624	S	S	*	*			trans	-48.8	91.4	165.6	-71.4	174.7	175.7	176.9	0	107.8	H399	H399-K401 PolarHBondContact O-N 3.19Å; H399-K401 VanDerWaalsContact O-N 3.11Å
402	S	40	Very low	56.5	Low	76 Å²	76	107.1 Å²	107.1	53%	0.531	59%	0.593	S	S	.	*			trans	-129.9	105.3	-174.8	42.7	0	0	0	0	108.5	K400 V404	K400-S402 WeakPolarHBondContact O-CB 3.24Å; K400-S402 PolarHBondContact O-N 3.33Å; K400-S402 PolarHBondContact O-OG 3.33Å; S402-V404 PolarHBondContact O-N 3.31Å; S402-V404 VanDerWaalsContact O-N 3.17Å
403	D	48	Very low	59.4	Low	164 Å²	164	102.5 Å²	102.5	88%	0.877	57%	0.565	S	S	*	*			trans	53.3	44.4	143.2	-51.1	-25.7	0	0	0	118
404	V	59.1	Low	62.3	Low	71 Å²	71	96.9 Å²	96.9	43%	0.43	53%	0.525	S	S	.	.			trans	-89.6	109.5	163	-158.1	0	0	0	0	108	A375 S402 S406	A375-V404 HydrophobicContact CB-CB 4.29Å; A375-V404 HydrophobicContact CB-CG1 3.26Å; S402-V404 PolarHBondContact O-N 3.31Å; S402-V404 VanDerWaalsContact O-N 3.17Å; V404-S406 VanDerWaalsContact C-N 3.25Å; V404-S406 PolarHBondContact O-N 2.77Å; V404-S406 PolarHBondContact O-OG 2.94Å
405	N	73.4	Confident	65.1	Low	118 Å²	118	97.2 Å²	97.2	63%	0.631	52%	0.517	S	S	*	.			trans	-60	85.2	179.4	-173	7	0	0	0	110.4	K407	N405-K407 VanDerWaalsContact ND2-CE 3.32Å; N405-K407 WeakPolarHBondContact ND2-CE 3.27Å
406	S	83.9	Confident	67.6	Low	43 Å²	43	91.1 Å²	91.1	30%	0.301	48%	0.483	S	S	.	.			trans	-80.4	124.8	-175.8	-62.8	0	0	0	0	108.7	L374 V404 T433	L374-S406 CarbonylContact O-C 3.52Å; L374-S406 WeakPolarHBondContact O-CA 3.27Å; V404-S406 VanDerWaalsContact C-N 3.25Å; V404-S406 PolarHBondContact O-N 2.77Å; V404-S406 PolarHBondContact O-OG 2.94Å; S406-T433 WeakPolarHBondContact OG-CG2 3.5Å; S406-T433 PolarHBondContact OG-OG1 3.32Å
407	K	89.4	Confident	70.5	Confident	87 Å²	87	85.7 Å²	85.7	38%	0.378	45%	0.454	S	S	.	.	B	Isolated β-bridge	trans	-125.2	157.5	-175.7	-62.9	-177.2	179.6	-175.4	0	110.3	L373 L374 N405 S409	L373-K407 WeakPolarHBondContact CA-O 3.48Å; L374-K407 PolarHBondContact N-O 2.88Å; L374-K407 PolarHBondContact O-N 2.9Å; N405-K407 VanDerWaalsContact ND2-CE 3.32Å; N405-K407 WeakPolarHBondContact ND2-CE 3.27Å; K407-S409 VanDerWaalsContact C-N 3.28Å; K407-S409 WeakPolarHBondContact CB-O 3.39Å
408	E	90.2	Very high	73	Confident	109 Å²	109	81.8 Å²	81.8	51%	0.509	43%	0.432	S	S	.	.	S	Bend	trans	-66.8	-34	175.4	-70	-174.3	167.1	0	0	112	S370 L373 Q436	S370-E408 PolarHBondContact OG-O 3.45Å; L373-E408 HydrophobicContact CD2-CG 3.98Å; E408-Q436 PolarHBondContact OE1-NE2 3Å
409	S	91.4	Very high	75.5	Confident	27 Å²	27	86.7 Å²	86.7	19%	0.189	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	154.5	171.6	66.4	0	0	0	0	111.2	E337 I338 K407	E337-S409 WeakPolarHBondContact OE1-CB 3.36Å; E337-S409 PolarHBondContact OE1-OG 3.26Å; I338-S409 CarbonylContact O-C 3.56Å; I338-S409 VanDerWaalsContact O-CA 3.26Å; I338-S409 WeakPolarHBondContact O-CA 3.31Å; K407-S409 VanDerWaalsContact C-N 3.28Å; K407-S409 WeakPolarHBondContact CB-O 3.39Å
410	V	92.6	Very high	77.6	Confident	5 Å²	5	81.7 Å²	81.7	3%	0.03	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	139.9	174.1	-67.4	0	0	0	0	110	E337 I338 L374 M376 L430	E337-V410 WeakPolarHBondContact CA-O 3.41Å; I338-V410 HydrophobicContact CB-CG2 4Å; I338-V410 PolarHBondContact N-O 3.19Å; I338-V410 PolarHBondContact O-N 3.14Å; L374-V410 HydrophobicContact CB-CG1 3.69Å; L374-V410 HydrophobicContact CB-CG2 4.26Å; L374-V410 HydrophobicContact CD1-CG2 3.9Å; M376-V410 HydrophobicContact CG-CB 4Å; M376-V410 HydrophobicContact CG-CG1 3.88Å; M376-V410 HydrophobicContact SD-CB 4.01Å; M376-V410 HydrophobicContact SD-CG1 4.42Å; V410-L430 HydrophobicContact CG2-CD1 4.45Å; V410-L430 HydrophobicContact CG2-CD2 4.18Å
411	I	93	Very high	79.8	Confident	50 Å²	50	76.3 Å²	76.3	26%	0.256	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	122.2	-179.6	-61.7	176.2	0	0	0	109.1	H45 D335 F336 Y413	H45-I411 PolarHBondContact NE2-O 3.35Å; D335-I411 HydrophobicContact CB-CG2 3.69Å; F336-I411 WeakPolarHBondContact O-CA 3.49Å; I411-Y413 HydrophobicContact CG2-CE1 4.18Å; I411-Y413 HydrophobicContact CG2-CE2 4.48Å
412	I	92.6	Very high	81.9	Confident	7 Å²	7	67.9 Å²	67.9	4%	0.036	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	125	170.2	-55.4	174.7	0	0	0	108.2	F336 I338 M376 A425	F336-I412 PolarHBondContact N-O 2.96Å; F336-I412 PolarHBondContact O-N 3.45Å; I338-I412 HydrophobicContact CD1-CD1 3.24Å; I338-I412 HydrophobicContact CD1-CG1 3.94Å; M376-I412 HydrophobicContact CE-CG1 4.18Å; I412-A425 HydrophobicContact CB-CB 4.03Å; I412-A425 HydrophobicContact CG2-CB 3.7Å
413	Y	92.2	Very high	84.4	Confident	50 Å²	50	64.5 Å²	64.5	20%	0.196	33%	0.331	C	S	.	.			trans	-79.5	137.4	174.8	-64	-72.6	0	0	0	110.4	Y33 Q43 R44 H45 D335 I411	Y33-Y413 WeakPolarHBondContact OH-CD1 3.43Å; Q43-Y413 PolarHBondContact O-OH 2.99Å; R44-Y413 HydrophobicContact CB-CD1 4.46Å; R44-Y413 HydrophobicContact CB-CD2 4.01Å; R44-Y413 HydrophobicContact CB-CE1 4.22Å; R44-Y413 HydrophobicContact CB-CE2 3.74Å; R44-Y413 HydrophobicContact CB-CG 4.37Å; R44-Y413 HydrophobicContact CG-CD1 3.9Å; R44-Y413 HydrophobicContact CG-CD2 4.27Å; R44-Y413 HydrophobicContact CG-CE1 3.85Å; R44-Y413 HydrophobicContact CG-CE2 4.23Å; R44-Y413 HydrophobicContact CG-CG 4.11Å; H45-Y413 HydrophobicContact CB-CE2 4.23Å; H45-Y413 AromaticContact CD2-CE2 3.45Å; H45-Y413 VanDerWaalsContact CD2-CE2 3.45Å; H45-Y413 WeakPolarHBondContact CD2-CE2 3.34Å; H45-Y413 AromaticContact CG-CE2 3.73Å; H45-Y413 AromaticContact NE2-CE2 3.74Å; D335-Y413 HydrophobicContact CB-CD1 4.42Å; D335-Y413 HydrophobicContact CB-CE1 4.43Å; I411-Y413 HydrophobicContact CG2-CE1 4.18Å; I411-Y413 HydrophobicContact CG2-CE2 4.48Å
414	P	92	Very high	86.4	Confident	7 Å²	7	57 Å²	57	5%	0.045	29%	0.292	C	S	.	.			trans	-77.8	150.1	-172.9	32.4	-35.7	0	0	0	112.4	Y33 F333 K334 F336 W423 A424	Y33-P414 HydrophobicContact CE2-CG 3.96Å; F333-P414 HydrophobicContact CB-CG 4.11Å; F333-P414 VanDerWaalsContact O-CG 3.24Å; F333-P414 WeakPolarHBondContact O-CG 3.08Å; K334-P414 VanDerWaalsContact O-CD 3.28Å; K334-P414 WeakPolarHBondContact O-CD 3.36Å; F336-P414 HydrophobicContact CD2-CB 3.98Å; F336-P414 HydrophobicContact CD2-CG 4.46Å; F336-P414 HydrophobicContact CE2-CB 3.73Å; F336-P414 HydrophobicContact CE2-CG 4.35Å; P414-W423 HydrophobicContact CB-CE3 3.91Å; P414-W423 HydrophobicContact CG-CE3 4.25Å; P414-A424 CarbonylContact C-O 3.6Å; P414-A424 VanDerWaalsContact CA-O 3.27Å; P414-A424 WeakPolarHBondContact CA-O 3.37Å
415	V	90.9	Very high	88	Confident	105 Å²	105	53.6 Å²	53.6	64%	0.636	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.8	135.3	173.2	179.8	0	0	0	0	107.8	N417 A424	V415-N417 PolarHBondContact O-N 3.06Å; V415-A424 PolarHBondContact N-O 3.35Å; V415-A424 PolarHBondContact O-N 2.77Å
416	Y	89.8	Confident	88.8	Confident	27 Å²	27	52 Å²	52	11%	0.106	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	121.8	177.4	-171	-100.5	0	0	0	110.7	Q29 S418 R421 W423	Q29-Y416 HydrophobicContact CB-CD1 3.98Å; Q29-Y416 HydrophobicContact CB-CD2 3.99Å; Q29-Y416 HydrophobicContact CB-CE1 4.5Å; Q29-Y416 HydrophobicContact CB-CG 3.69Å; Q29-Y416 HydrophobicContact CG-CD1 3.79Å; Q29-Y416 HydrophobicContact CG-CD2 3.74Å; Q29-Y416 HydrophobicContact CG-CE1 3.8Å; Q29-Y416 HydrophobicContact CG-CE2 3.76Å; Q29-Y416 HydrophobicContact CG-CG 3.74Å; Y416-S418 PolarHBondContact O-N 2.98Å; Y416-R421 WeakPolarHBondContact OH-CA 3.38Å; Y416-W423 AromaticContact CD2-CD2 3.97Å; Y416-W423 HydrophobicContact CD2-CD2 3.97Å; Y416-W423 AromaticContact CD2-CE2 3.79Å; Y416-W423 HydrophobicContact CD2-CG 4.2Å; Y416-W423 HydrophobicContact CD2-CZ2 4.22Å; Y416-W423 AromaticContact CD2-NE1 3.88Å
417	N	87.8	Confident	89.1	Confident	43 Å²	43	51.2 Å²	51.2	23%	0.23	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	103.2	172.7	-176.9	-29.3	0	0	0	109	V415 K419 N420 R421 Y422	V415-N417 PolarHBondContact O-N 3.06Å; N417-K419 PolarHBondContact O-N 2.84Å; N417-K419 WeakPolarHBondContact OD1-CB 3.36Å; N417-K419 PolarHBondContact OD1-N 3.45Å; N417-K419 VanDerWaalsContact OD1-N 3.1Å; N417-N420 PolarHBondContact OD1-N 3.12Å; N417-N420 VanDerWaalsContact OD1-N 3.11Å; N417-R421 WeakPolarHBondContact O-CA 3.42Å; N417-R421 PolarHBondContact O-N 2.73Å; N417-Y422 HydrophobicContact CB-CD1 4.05Å; N417-Y422 HydrophobicContact CB-CE1 3.8Å; N417-Y422 PolarHBondContact N-O 2.89Å; N417-Y422 WeakPolarHBondContact ND2-CE1 3.32Å; N417-Y422 PolarHBondContact ND2-OH 3.02Å; N417-Y422 PolarHBondContact O-N 2.85Å
418	S	83.7	Confident	88.9	Confident	64 Å²	64	49.8 Å²	49.8	45%	0.448	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-31.3	-179.2	53.8	0	0	0	0	113.9	Y416	Y416-S418 PolarHBondContact O-N 2.98Å
419	K	83.7	Confident	88.9	Confident	182 Å²	182	47.5 Å²	47.5	79%	0.791	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-44.7	-179.3	-174.8	-176.4	177.6	-179.3	0	111.6	N417	N417-K419 PolarHBondContact O-N 2.84Å; N417-K419 WeakPolarHBondContact OD1-CB 3.36Å; N417-K419 PolarHBondContact OD1-N 3.45Å; N417-K419 VanDerWaalsContact OD1-N 3.1Å
420	N	77.9	Confident	88.7	Confident	75 Å²	75	46.2 Å²	46.2	40%	0.401	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	1.3	-174.7	-65.6	-10.7	0	0	0	112.7	R329 N417 Y422	R329-N420 PolarHBondContact NH2-O 3.42Å; N417-N420 PolarHBondContact OD1-N 3.12Å; N417-N420 VanDerWaalsContact OD1-N 3.11Å; N420-Y422 HydrophobicContact CB-CD1 3.47Å; N420-Y422 VanDerWaalsContact CB-CD1 3.47Å; N420-Y422 HydrophobicContact CB-CE1 3.39Å
421	R	82.5	Confident	88.5	Confident	73 Å²	73	47 Å²	47	28%	0.275	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	54.4	176.4	-57.7	-178.6	-174.3	157.9	3.3	114.7	D90 E93 R329 Y416 N417	D90-R421 IonicContact OD1-CZ 2.71Å; D90-R421 IonicContact OD1-NH1 2.74Å; D90-R421 PolarHBondContact OD1-NH1 2.84Å; D90-R421 IonicContact OD1-NH2 2.98Å; D90-R421 IonicContact OD2-CZ 2.68Å; D90-R421 IonicContact OD2-NH1 3.89Å; D90-R421 PolarHBondContact OD2-NH1 3.45Å; D90-R421 IonicContact OD2-NH2 3.66Å; D90-R421 PolarHBondContact OD2-NH2 2.95Å; E93-R421 WeakPolarHBondContact OE2-CD 3.49Å; E93-R421 IonicContact OE2-CZ 2.87Å; E93-R421 IonicContact OE2-NH1 3.6Å; E93-R421 PolarHBondContact OE2-NH1 3.28Å; R329-R421 VanDerWaalsContact CD-O 3.31Å; R329-R421 WeakPolarHBondContact CD-O 3.41Å; R329-R421 WeakPolarHBondContact CG-O 3.47Å; R329-R421 PolarHBondContact NE-O 3.05Å; Y416-R421 WeakPolarHBondContact OH-CA 3.38Å; N417-R421 WeakPolarHBondContact O-CA 3.42Å; N417-R421 PolarHBondContact O-N 2.73Å
422	Y	87	Confident	88.2	Confident	43 Å²	43	44.6 Å²	44.6	17%	0.169	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	160.3	177.8	74.1	-82.2	0	0	0	112.3	A326 N417 N420 A424	A326-Y422 WeakPolarHBondContact O-CB 3.11Å; N417-Y422 HydrophobicContact CB-CD1 4.05Å; N417-Y422 HydrophobicContact CB-CE1 3.8Å; N417-Y422 PolarHBondContact N-O 2.89Å; N417-Y422 WeakPolarHBondContact ND2-CE1 3.32Å; N417-Y422 PolarHBondContact ND2-OH 3.02Å; N417-Y422 PolarHBondContact O-N 2.85Å; N420-Y422 HydrophobicContact CB-CD1 3.47Å; N420-Y422 VanDerWaalsContact CB-CD1 3.47Å; N420-Y422 HydrophobicContact CB-CE1 3.39Å; Y422-A424 HydrophobicContact CD2-CB 4.14Å; Y422-A424 HydrophobicContact CE2-CB 3.43Å; Y422-A424 VanDerWaalsContact CE2-CB 3.43Å
423	W	90.8	Very high	87.6	Confident	4 Å²	4	45.1 Å²	45.1	2%	0.015	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	122.2	172.1	-73.7	100.1	0	0	0	110.5	Q29 Y33 A326 V331 V332 F333 P414 Y416	Q29-W423 HydrophobicContact CB-CH2 4.21Å; Q29-W423 HydrophobicContact CB-CZ2 3.88Å; Y33-W423 HydrophobicContact CD2-CH2 4.45Å; Y33-W423 HydrophobicContact CG-CH2 4.18Å; Y33-W423 HydrophobicContact CG-CZ3 4.42Å; A326-W423 HydrophobicContact CB-CB 4.21Å; A326-W423 PolarHBondContact N-O 2.95Å; V331-W423 PolarHBondContact O-NE1 3.27Å; V332-W423 HydrophobicContact CB-CZ2 4.49Å; V332-W423 HydrophobicContact CG1-CH2 4.4Å; V332-W423 HydrophobicContact CG1-CZ2 3.9Å; V332-W423 HydrophobicContact CG2-CZ2 4.18Å; F333-W423 HydrophobicContact CD2-CB 3.94Å; F333-W423 HydrophobicContact CD2-CG 4.15Å; P414-W423 HydrophobicContact CB-CE3 3.91Å; P414-W423 HydrophobicContact CG-CE3 4.25Å; Y416-W423 AromaticContact CD2-CD2 3.97Å; Y416-W423 HydrophobicContact CD2-CD2 3.97Å; Y416-W423 AromaticContact CD2-CE2 3.79Å; Y416-W423 HydrophobicContact CD2-CG 4.2Å; Y416-W423 HydrophobicContact CD2-CZ2 4.22Å; Y416-W423 AromaticContact CD2-NE1 3.88Å
424	A	91.4	Very high	86.7	Confident	7 Å²	7	46.3 Å²	46.3	6%	0.058	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	142.4	-177.7	0	0	0	0	0	111.1	C324 P414 V415 Y422	C324-A424 CarbonylContact O-C 3.54Å; C324-A424 VanDerWaalsContact O-CA 3.3Å; C324-A424 WeakPolarHBondContact O-CA 3.38Å; P414-A424 CarbonylContact C-O 3.6Å; P414-A424 VanDerWaalsContact CA-O 3.27Å; P414-A424 WeakPolarHBondContact CA-O 3.37Å; V415-A424 PolarHBondContact N-O 3.35Å; V415-A424 PolarHBondContact O-N 2.77Å; Y422-A424 HydrophobicContact CD2-CB 4.14Å; Y422-A424 HydrophobicContact CE2-CB 3.43Å; Y422-A424 VanDerWaalsContact CE2-CB 3.43Å
425	A	91.8	Very high	85.7	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	98.3	168.2	0	0	0	0	0	108.3	N323 C324 F336 I412	N323-A425 CarbonylContact C-O 3.59Å; N323-A425 WeakPolarHBondContact CA-O 3.27Å; C324-A425 HydrophobicContact CB-CB 4.31Å; C324-A425 PolarHBondContact N-O 2.91Å; C324-A425 PolarHBondContact O-N 3.5Å; F336-A425 HydrophobicContact CB-CB 3.61Å; F336-A425 HydrophobicContact CD1-CB 4.01Å; F336-A425 HydrophobicContact CD2-CB 3.53Å; F336-A425 HydrophobicContact CE2-CB 4.2Å; F336-A425 HydrophobicContact CG-CB 3.43Å; F336-A425 VanDerWaalsContact CG-CB 3.43Å; I412-A425 HydrophobicContact CB-CB 4.03Å; I412-A425 HydrophobicContact CG2-CB 3.7Å
426	T	89.9	Confident	84.4	Confident	83 Å²	83	44.9 Å²	44.9	51%	0.509	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	128.6	-178	-52.1	0	0	0	0	110.5	M322 N323	M322-T426 CarbonylContact O-C 3.51Å; M322-T426 WeakPolarHBondContact O-CA 3.39Å; N323-T426 HydrophobicContact CB-CG2 4.12Å; N323-T426 PolarHBondContact OD1-OG1 3.32Å
427	Y	90	Very high	82.9	Confident	28 Å²	28	51 Å²	51	11%	0.11	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	124.1	173.3	-159.1	-95	0	0	0	111.4	A321 M322 M376 K377 H429 L430	A321-Y427 WeakPolarHBondContact CA-O 3.47Å; M322-Y427 PolarHBondContact N-O 3.46Å; M322-Y427 PolarHBondContact O-N 3.23Å; M376-Y427 HydrophobicContact CB-CE1 4.01Å; M376-Y427 HydrophobicContact CE-CD1 3.91Å; M376-Y427 HydrophobicContact CE-CD2 3.44Å; M376-Y427 VanDerWaalsContact CE-CD2 3.44Å; M376-Y427 HydrophobicContact CE-CE1 3.89Å; M376-Y427 HydrophobicContact CE-CE2 3.4Å; M376-Y427 VanDerWaalsContact CE-CE2 3.4Å; M376-Y427 HydrophobicContact CE-CG 3.69Å; M376-Y427 HydrophobicContact CG-CE1 4.46Å; K377-Y427 WeakPolarHBondContact O-CE1 3.45Å; K377-Y427 PolarHBondContact O-OH 3Å; Y427-H429 HydrophobicContact CE1-CB 4.09Å; Y427-H429 WeakPolarHBondContact CE1-O 3.49Å; Y427-L430 HydrophobicContact CD1-CD2 3.65Å; Y427-L430 HydrophobicContact CD1-CG 4.03Å; Y427-L430 HydrophobicContact CE1-CD2 4.28Å; Y427-L430 HydrophobicContact CG-CD2 4.38Å
428	P	86.8	Confident	81.2	Confident	56 Å²	56	50.8 Å²	50.8	36%	0.364	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-13.8	-169.8	33.3	-37.4	0	0	0	114.6	T379	T379-P428 HydrophobicContact CG2-CG 3.55Å
429	H	88.3	Confident	79.3	Confident	62 Å²	62	59.8 Å²	59.8	29%	0.287	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	56	-167	-60.3	-29.4	0	0	0	112.7	L319 K377 Y427	L319-H429 HydrophobicContact CD2-CB 4.03Å; K377-H429 HydrophobicContact CB-CB 4.18Å; K377-H429 PolarHBondContact N-O 2.97Å; Y427-H429 HydrophobicContact CE1-CB 4.09Å; Y427-H429 WeakPolarHBondContact CE1-O 3.49Å
430	L	88.6	Confident	77.3	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	151.3	168	-64.9	-173.7	0	0	0	110.8	L319 F320 M322 A375 M376 V410 Y427	L319-L430 WeakPolarHBondContact CA-O 3.46Å; F320-L430 HydrophobicContact CD1-CB 4.35Å; F320-L430 WeakPolarHBondContact CD1-O 3.28Å; F320-L430 HydrophobicContact CD2-CB 4.19Å; F320-L430 HydrophobicContact CE1-CB 3.92Å; F320-L430 HydrophobicContact CE2-CB 3.74Å; F320-L430 HydrophobicContact CE2-CD1 3.94Å; F320-L430 HydrophobicContact CE2-CG 4.46Å; F320-L430 HydrophobicContact CG-CB 4.48Å; F320-L430 HydrophobicContact CZ-CB 3.59Å; F320-L430 HydrophobicContact CZ-CD1 4.23Å; F320-L430 PolarHBondContact N-O 3.2Å; F320-L430 PolarHBondContact O-N 3.25Å; M322-L430 HydrophobicContact CB-CD1 3.49Å; M322-L430 VanDerWaalsContact CB-CD1 3.49Å; M322-L430 HydrophobicContact CB-CG 4.42Å; M322-L430 HydrophobicContact CG-CD1 4.21Å; A375-L430 CarbonylContact O-C 3.59Å; A375-L430 WeakPolarHBondContact O-CA 3.37Å; M376-L430 HydrophobicContact CB-CD2 4.41Å; M376-L430 HydrophobicContact CG-CD2 3.63Å; V410-L430 HydrophobicContact CG2-CD1 4.45Å; V410-L430 HydrophobicContact CG2-CD2 4.18Å; Y427-L430 HydrophobicContact CD1-CD2 3.65Å; Y427-L430 HydrophobicContact CD1-CG 4.03Å; Y427-L430 HydrophobicContact CE1-CD2 4.28Å; Y427-L430 HydrophobicContact CG-CD2 4.38Å
431	L	86.9	Confident	75.5	Confident	20 Å²	20	58.1 Å²	58.1	11%	0.105	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	135.3	176.8	-152.4	91	0	0	0	109.5	N317 L319 L374 A375 T433	N317-L431 HydrophobicContact CB-CD2 4.32Å; L319-L431 HydrophobicContact CD2-CD1 3.78Å; L319-L431 HydrophobicContact CG-CD1 4.28Å; L374-L431 CarbonylContact C-O 3.34Å; L374-L431 VanDerWaalsContact CA-O 3.31Å; L374-L431 WeakPolarHBondContact CA-O 3.46Å; A375-L431 HydrophobicContact CB-CB 4.11Å; A375-L431 PolarHBondContact N-O 3.26Å; A375-L431 PolarHBondContact O-N 3.21Å; L431-T433 HydrophobicContact CB-CG2 4.42Å; L431-T433 HydrophobicContact CD2-CG2 3.45Å; L431-T433 VanDerWaalsContact CD2-CG2 3.45Å; L431-T433 HydrophobicContact CG-CG2 4.35Å
432	C	86.8	Confident	73.7	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.007	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	110.6	162.4	178.9	0	0	0	0	107.5	T316 N317 F320 L374	T316-C432 CarbonylContact C-O 3.44Å; T316-C432 WeakPolarHBondContact CA-O 3.45Å; N317-C432 PolarHBondContact N-O 3.16Å; F320-C432 HydrophobicContact CE1-CB 4.29Å; L374-C432 HydrophobicContact CD2-CB 4.39Å
433	T	80.2	Confident	71.6	Confident	17 Å²	17	68 Å²	68	10%	0.104	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-53.6	-172	55.3	0	0	0	0	111.3	L373 A375 S406 L431	L373-T433 WeakPolarHBondContact CB-OG1 3.28Å; L373-T433 PolarHBondContact O-N 3.01Å; L373-T433 PolarHBondContact O-OG1 3.38Å; A375-T433 HydrophobicContact CB-CG2 3.81Å; S406-T433 WeakPolarHBondContact OG-CG2 3.5Å; S406-T433 PolarHBondContact OG-OG1 3.32Å; L431-T433 HydrophobicContact CB-CG2 4.42Å; L431-T433 HydrophobicContact CD2-CG2 3.45Å; L431-T433 VanDerWaalsContact CD2-CG2 3.45Å; L431-T433 HydrophobicContact CG-CG2 4.35Å
434	T	74.3	Confident	68.9	Low	76 Å²	76	69.9 Å²	69.9	47%	0.466	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	132.7	-172.4	-51.9	0	0	0	0	110.6	A372 L373	A372-T434 CarbonylContact C-O 3.56Å; A372-T434 WeakPolarHBondContact CA-O 3.27Å; L373-T434 PolarHBondContact N-O 2.89Å
435	R	70.8	Confident	66.6	Low	31 Å²	31	70.6 Å²	70.6	12%	0.117	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	126.9	167.6	-173.3	-179	176.4	-161.1	5.7	109.4	S445 F471	R435-S445 PolarHBondContact NH1-O 2.84Å; R435-S445 PolarHBondContact NH2-O 3.09Å; R435-F471 VanDerWaalsContact NE-CZ 3.28Å
436	Q	62.8	Low	64	Low	50 Å²	50	75.9 Å²	75.9	23%	0.234	38%	0.378	C	S	.	.			trans	-79.2	135.3	178.3	-65.8	-165.8	-21	0	0	110.1	S370 A371 L373 E408 G438	S370-Q436 PolarHBondContact O-OE1 3.33Å; A371-Q436 PolarHBondContact O-N 3.07Å; L373-Q436 HydrophobicContact CD2-CG 4.43Å; L373-Q436 HydrophobicContact CG-CG 4.1Å; E408-Q436 PolarHBondContact OE1-NE2 3Å; Q436-G438 PolarHBondContact O-N 2.98Å
437	K	58.1	Low	61.5	Low	155 Å²	155	79.2 Å²	79.2	67%	0.674	39%	0.388	S	S	*	.			trans	-77.7	111.5	173.6	-170.9	179.3	-179.2	-176.9	0	107.2	R439	K437-R439 PolarHBondContact O-N 3.08Å
438	G	53.6	Low	59.2	Low	40 Å²	40	81.3 Å²	81.3	41%	0.412	40%	0.401	S	S	.	.			trans	-55.1	115.7	176.6	0	0	0	0	0	110.2	Q436 Q440	Q436-G438 PolarHBondContact O-N 2.98Å; G438-Q440 PolarHBondContact O-N 2.92Å
439	R	42.7	Very low	56.8	Low	253 Å²	253	82.7 Å²	82.7	96%	0.955	41%	0.405	S	S	*	.	S	Bend	trans	-70.4	-15.4	176.4	-88.3	-176.5	172.1	-178.1	-2.2	112.8	K437	K437-R439 PolarHBondContact O-N 3.08Å
440	Q	41.8	Very low	53.9	Low	181 Å²	181	83.3 Å²	83.3	85%	0.846	42%	0.416	S	S	*	.	S	Bend	trans	-125	3.5	-175.8	-66.6	-178.6	-17.1	0	0	113.9	G438 I442	G438-Q440 PolarHBondContact O-N 2.92Å; Q440-I442 PolarHBondContact O-N 3.02Å; Q440-I442 VanDerWaalsContact O-N 3.17Å
441	S	41.6	Very low	51.2	Low	40 Å²	40	89.9 Å²	89.9	28%	0.28	46%	0.459	S	S	.	.			trans	-75	107.2	-177.8	-163.2	0	0	0	0	109.7	H443	S441-H443 WeakPolarHBondContact CB-O 3.43Å; S441-H443 PolarHBondContact O-N 3.02Å; S441-H443 PolarHBondContact OG-O 3.33Å
442	I	44.5	Very low	48.3	Very low	158 Å²	158	93.4 Å²	93.4	81%	0.81	49%	0.485	S	S	*	.	S	Bend	trans	-63.2	-27.5	177.1	-33.2	175.9	0	0	0	110.2	Q440	Q440-I442 PolarHBondContact O-N 3.02Å; Q440-I442 VanDerWaalsContact O-N 3.17Å
443	H	42.8	Very low	45.6	Very low	166 Å²	166	96.5 Å²	96.5	77%	0.769	52%	0.518	S	S	*	.	S	Bend	trans	-94.6	103.7	164	-71.2	-67.8	0	0	0	109.7	S441 S445	S441-H443 WeakPolarHBondContact CB-O 3.43Å; S441-H443 PolarHBondContact O-N 3.02Å; S441-H443 PolarHBondContact OG-O 3.33Å; H443-S445 PolarHBondContact O-N 2.71Å
444	S	34.1	Very low	43.5	Very low	43 Å²	43	102 Å²	102	30%	0.301	55%	0.551	S	S	.	*			trans	-57.7	110.6	178.7	171.4	0	0	0	0	110.8	Y446 Q447	S444-Y446 PolarHBondContact O-N 2.67Å; S444-Y446 PolarHBondContact OG-N 3.37Å; S444-Q447 PolarHBondContact O-N 3.19Å; S444-Q447 PolarHBondContact OG-N 3.23Å
445	S	42.1	Very low	41.5	Very low	23 Å²	23	105.8 Å²	105.8	16%	0.161	57%	0.568	C	S	.	*	T	Hydrogen-bonded Turn	trans	-51.2	-16.3	169.1	55.4	0	0	0	0	114.1	R435 H443	R435-S445 PolarHBondContact NH1-O 2.84Å; R435-S445 PolarHBondContact NH2-O 3.09Å; H443-S445 PolarHBondContact O-N 2.71Å
446	Y	38.2	Very low	39.4	Very low	111 Å²	111	109.2 Å²	109.2	44%	0.435	60%	0.597	S	S	.	*	T	Hydrogen-bonded Turn	trans	-105.2	-8.7	177.2	-109	-90.3	0	0	0	115.1	S444 D448 L449	S444-Y446 PolarHBondContact O-N 2.67Å; S444-Y446 PolarHBondContact OG-N 3.37Å; Y446-D448 VanDerWaalsContact C-N 3.27Å; Y446-D448 PolarHBondContact O-N 3.04Å; Y446-L449 HydrophobicContact CE1-CD1 4.43Å
447	Q	36.6	Very low	38	Very low	152 Å²	152	112.7 Å²	112.7	71%	0.71	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	81	173.5	-88	173.4	-28.8	0	0	109	S444	S444-Q447 PolarHBondContact O-N 3.19Å; S444-Q447 PolarHBondContact OG-N 3.23Å
448	D	41.9	Very low	36.8	Very low	73 Å²	73	110.2 Å²	110.2	39%	0.39	64%	0.636	S	S	.	*	T	Hydrogen-bonded Turn	trans	-174.1	40.3	141.7	-112.4	-5.2	0	0	0	113.6	Y446 R468	Y446-D448 VanDerWaalsContact C-N 3.27Å; Y446-D448 PolarHBondContact O-N 3.04Å; D448-R468 PolarHBondContact O-NH1 3.31Å
449	L	36.1	Very low	35.7	Very low	84 Å²	84	112.3 Å²	112.3	44%	0.44	64%	0.644	S	S	.	*	S	Bend	trans	-104.6	8.5	174.5	-65.6	177.5	0	0	0	114.2	Y446 M511	Y446-L449 HydrophobicContact CE1-CD1 4.43Å; L449-M511 HydrophobicContact CD2-SD 4.32Å
450	S	27.2	Very low	35	Very low	75 Å²	75	108.4 Å²	108.4	52%	0.524	64%	0.642	S	S	.	*			trans	-156.5	136.4	172.9	50.7	0	0	0	0	112.3	S452	S450-S452 PolarHBondContact O-N 3.09Å; S450-S452 VanDerWaalsContact O-N 3.09Å; S450-S452 PolarHBondContact OG-OG 3.37Å
451	P	31.3	Very low	34.8	Very low	139 Å²	139	106.8 Å²	106.8	90%	0.903	64%	0.639	S	S	*	*			trans	-75.9	93.2	164.1	31.9	-27.3	0	0	0	107.2
452	S	26.7	Very low	34.5	Very low	94 Å²	94	113.4 Å²	113.4	66%	0.657	66%	0.663	S	S	*	*			trans	-121.8	108.3	176.4	-54.1	0	0	0	0	108	S450	S450-S452 PolarHBondContact O-N 3.09Å; S450-S452 VanDerWaalsContact O-N 3.09Å; S450-S452 PolarHBondContact OG-OG 3.37Å
453	G	30.6	Very low	34.4	Very low	66 Å²	66	111.5 Å²	111.5	68%	0.68	66%	0.655	S	S	*	*			trans	-68.5	-178.7	172.8	0	0	0	0	0	112.9
454	T	34.8	Very low	34.8	Very low	131 Å²	131	106.5 Å²	106.5	80%	0.804	65%	0.648	S	S	*	*			trans	87.4	110.2	170.1	65.7	0	0	0	0	116.8
455	N	32.2	Very low	36	Very low	156 Å²	156	107.1 Å²	107.1	83%	0.834	65%	0.652	S	S	*	*			trans	93.9	77.6	151.2	-54	-11.3	0	0	0	118.5
456	S	28	Very low	37.2	Very low	104 Å²	104	107 Å²	107	73%	0.727	66%	0.655	S	S	*	*			trans	-159.9	112.1	134.8	45.5	0	0	0	0	110.2
457	S	34.2	Very low	39.4	Very low	122 Å²	122	103.7 Å²	103.7	85%	0.853	64%	0.643	S	S	*	*			trans	-76.9	129.6	167.1	46.3	0	0	0	0	108.8
458	A	31.1	Very low	41.7	Very low	104 Å²	104	98 Å²	98	86%	0.86	62%	0.615	S	S	*	*	S	Bend	trans	106.1	57.7	174.2	0	0	0	0	0	116.8
459	S	30.9	Very low	43.8	Very low	84 Å²	84	96.5 Å²	96.5	59%	0.587	61%	0.609	S	S	*	*			trans	-170.2	141.6	139.7	48.6	0	0	0	0	107.8	D461	S459-D461 PolarHBondContact O-N 2.6Å; S459-D461 VanDerWaalsContact O-N 3.11Å
460	N	29.2	Very low	46.3	Very low	171 Å²	171	92.7 Å²	92.7	91%	0.914	59%	0.589	S	S	*	*	S	Bend	trans	-75	12.2	-175.9	-92.5	-19.7	0	0	0	114.1	K462	N460-K462 PolarHBondContact O-N 3.08Å
461	D	36.6	Very low	49.4	Very low	146 Å²	146	89.4 Å²	89.4	78%	0.781	57%	0.565	S	S	*	*			trans	-85.4	51.1	179.4	-70.2	-24.5	0	0	0	112.4	S459 N463	S459-D461 PolarHBondContact O-N 2.6Å; S459-D461 VanDerWaalsContact O-N 3.11Å; D461-N463 PolarHBondContact O-N 2.94Å
462	K	34.5	Very low	52.4	Low	179 Å²	179	82.9 Å²	82.9	78%	0.778	52%	0.522	S	S	*	.			trans	-80.2	15.7	-179.6	-93.6	-172.1	179.1	178	0	115.4	N460	N460-K462 PolarHBondContact O-N 3.08Å
463	N	43.5	Very low	55.6	Low	119 Å²	119	78.5 Å²	78.5	64%	0.636	49%	0.492	S	S	*	.	S	Bend	trans	-138.3	105	175.2	-81.7	-31	0	0	0	110.3	D461 S465 K599	D461-N463 PolarHBondContact O-N 2.94Å; N463-S465 PolarHBondContact O-N 2.87Å; N463-K599 PolarHBondContact ND2-NZ 2.96Å
464	G	51.3	Low	58.6	Low	61 Å²	61	75.8 Å²	75.8	63%	0.629	46%	0.461	S	S	*	.			trans	-53.1	126.9	167.4	0	0	0	0	0	109.4	G466	G464-G466 PolarHBondContact O-N 2.68Å
465	S	58.9	Low	61.5	Low	56 Å²	56	69.5 Å²	69.5	39%	0.392	42%	0.423	S	S	.	.			trans	-61	-11	-176.7	59.1	0	0	0	0	112.9	N463 K467 F598	N463-S465 PolarHBondContact O-N 2.87Å; S465-K467 PolarHBondContact O-N 3.19Å; S465-K467 VanDerWaalsContact OG-CB 3.24Å; S465-K467 WeakPolarHBondContact OG-CB 3.31Å; S465-K467 PolarHBondContact OG-N 3.17Å; S465-F598 WeakPolarHBondContact O-CD1 3.4Å; S465-F598 VanDerWaalsContact O-CE1 3.27Å; S465-F598 WeakPolarHBondContact O-CE1 3.44Å
466	G	68.1	Low	64.5	Low	21 Å²	21	64.2 Å²	64.2	22%	0.216	39%	0.392	C	S	.	.			trans	75	-1.4	-170.7	0	0	0	0	0	112.7	G464 R468	G464-G466 PolarHBondContact O-N 2.68Å; G466-R468 PolarHBondContact O-N 3.12Å
467	K	83.4	Confident	67.6	Low	41 Å²	41	59.2 Å²	59.2	18%	0.178	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-61.5	129.4	177.6	179.8	-169.8	178.7	-170.7	0	107.6	E343 S465 T518 W535 F598	E343-K467 IonicContact OE1-NZ 3.02Å; E343-K467 PolarHBondContact OE1-NZ 3.35Å; E343-K467 IonicContact OE2-NZ 2.78Å; E343-K467 PolarHBondContact OE2-NZ 2.96Å; S465-K467 PolarHBondContact O-N 3.19Å; S465-K467 VanDerWaalsContact OG-CB 3.24Å; S465-K467 WeakPolarHBondContact OG-CB 3.31Å; S465-K467 PolarHBondContact OG-N 3.17Å; K467-T518 HydrophobicContact CG-CG2 4.12Å; K467-W535 HydrophobicContact CB-CH2 4.13Å; K467-W535 HydrophobicContact CB-CZ2 3.99Å; K467-W535 HydrophobicContact CD-CD2 3.63Å; K467-W535 HydrophobicContact CD-CE3 3.84Å; K467-W535 HydrophobicContact CD-CG 3.99Å; K467-W535 HydrophobicContact CD-CH2 4.46Å; K467-W535 HydrophobicContact CD-CZ2 4.28Å; K467-W535 HydrophobicContact CD-CZ3 4.26Å; K467-W535 HydrophobicContact CG-CD2 4.16Å; K467-W535 HydrophobicContact CG-CE3 4.03Å; K467-W535 HydrophobicContact CG-CH2 3.92Å; K467-W535 HydrophobicContact CG-CZ2 4.05Å; K467-W535 HydrophobicContact CG-CZ3 3.91Å; K467-F598 HydrophobicContact CB-CE1 4.44Å
468	R	84.6	Confident	70.5	Confident	33 Å²	33	54 Å²	54	13%	0.125	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-85.8	149.4	173	-66.2	-59.8	-172.6	-164.6	-6.3	111.1	D448 G466 I470 T497 S514 Y515 T518	D448-R468 PolarHBondContact O-NH1 3.31Å; G466-R468 PolarHBondContact O-N 3.12Å; R468-I470 PolarHBondContact O-N 3.48Å; R468-T497 HydrophobicContact CB-CG2 4.38Å; R468-S514 VanDerWaalsContact CZ-OG 3.32Å; R468-S514 PolarHBondContact NE-OG 3.44Å; R468-S514 PolarHBondContact NH2-OG 2.78Å; R468-Y515 HydrophobicContact CB-CD1 3.48Å; R468-Y515 VanDerWaalsContact CB-CD1 3.48Å; R468-Y515 HydrophobicContact CB-CE1 3.62Å; R468-Y515 HydrophobicContact CB-CG 4.37Å; R468-Y515 HydrophobicContact CG-CD1 3.53Å; R468-Y515 HydrophobicContact CG-CE1 3.71Å; R468-Y515 HydrophobicContact CG-CG 3.99Å; R468-T518 HydrophobicContact CB-CG2 4.46Å; R468-T518 PolarHBondContact N-OG1 3.2Å
469	P	85.9	Confident	73.5	Confident	41 Å²	41	49.3 Å²	49.3	27%	0.266	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-56.6	131.3	175.3	-26.3	36.2	0	0	0	111.3	F471	P469-F471 HydrophobicContact CB-CE2 4.13Å; P469-F471 HydrophobicContact CB-CZ 3.92Å; P469-F471 WeakPolarHBondContact O-CE2 3.24Å
470	I	90.1	Very high	76.5	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.015	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	152.4	176.4	68.1	174.9	0	0	0	110.7	E343 R468 Y472 P495 F496 T497 T518 L522	E343-I470 HydrophobicContact CB-CD1 4.38Å; E343-I470 HydrophobicContact CB-CG1 3.86Å; E343-I470 VanDerWaalsContact CD-CD1 3.41Å; E343-I470 HydrophobicContact CG-CD1 3.86Å; E343-I470 HydrophobicContact CG-CG1 3.88Å; E343-I470 WeakPolarHBondContact OE1-CD1 3.34Å; R468-I470 PolarHBondContact O-N 3.48Å; I470-Y472 HydrophobicContact CD1-CE2 4.16Å; I470-Y472 HydrophobicContact CG1-CE2 4.38Å; I470-P495 HydrophobicContact CB-CB 4.41Å; I470-P495 HydrophobicContact CD1-CB 4.18Å; I470-F496 CarbonylContact C-O 3.59Å; I470-F496 WeakPolarHBondContact CA-O 3.13Å; I470-T497 HydrophobicContact CG2-CG2 4.26Å; I470-T518 HydrophobicContact CG2-CG2 3.99Å; I470-L522 HydrophobicContact CD1-CD2 3.98Å; I470-L522 HydrophobicContact CG2-CD2 4.24Å
471	F	92	Very high	79.4	Confident	6 Å²	6	37.2 Å²	37.2	3%	0.026	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	160	-177.1	-55	-83.4	0	0	0	110.3	V340 V341 A371 R435 P469 P495 F496 I498	V340-F471 HydrophobicContact CG1-CB 3.93Å; V340-F471 HydrophobicContact CG1-CD1 4.16Å; V340-F471 HydrophobicContact CG1-CG 4.24Å; V341-F471 VanDerWaalsContact O-CA 3.32Å; V341-F471 WeakPolarHBondContact O-CA 3.43Å; V341-F471 WeakPolarHBondContact O-CB 3.31Å; A371-F471 HydrophobicContact CB-CD1 3.78Å; A371-F471 HydrophobicContact CB-CE1 3.92Å; R435-F471 VanDerWaalsContact NE-CZ 3.28Å; P469-F471 HydrophobicContact CB-CE2 4.13Å; P469-F471 HydrophobicContact CB-CZ 3.92Å; P469-F471 WeakPolarHBondContact O-CE2 3.24Å; F471-P495 CarbonylContact O-C 3.56Å; F471-P495 VanDerWaalsContact O-CA 3.32Å; F471-P495 WeakPolarHBondContact O-CA 3.31Å; F471-F496 HydrophobicContact CB-CD2 4.25Å; F471-F496 HydrophobicContact CB-CE1 4.18Å; F471-F496 HydrophobicContact CB-CE2 3.78Å; F471-F496 HydrophobicContact CB-CZ 3.75Å; F471-F496 HydrophobicContact CG-CE2 4.49Å; F471-F496 PolarHBondContact N-O 2.91Å; F471-F496 VanDerWaalsContact O-CD1 3.31Å; F471-F496 WeakPolarHBondContact O-CD1 3.48Å; F471-F496 PolarHBondContact O-N 2.9Å; F471-I498 HydrophobicContact CD1-CD1 4.38Å; F471-I498 HydrophobicContact CD2-CB 4.23Å; F471-I498 HydrophobicContact CD2-CD1 3.82Å; F471-I498 HydrophobicContact CD2-CG1 3.76Å; F471-I498 HydrophobicContact CE2-CB 4.06Å; F471-I498 HydrophobicContact CE2-CD1 4.12Å; F471-I498 HydrophobicContact CE2-CG1 4.08Å; F471-I498 HydrophobicContact CG-CD1 3.97Å; F471-I498 HydrophobicContact CG-CG1 4.36Å
472	Y	93.8	Very high	82	Confident	2 Å²	2	30.5 Å²	30.5	1%	0.008	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	148.5	175.7	-65.6	-98.7	0	0	0	109.2	V340 V341 A346 I470 L492 S493 P495 L532 L533	V340-Y472 WeakPolarHBondContact CA-O 3.26Å; V341-Y472 PolarHBondContact N-O 3.43Å; V341-Y472 PolarHBondContact O-N 2.99Å; A346-Y472 HydrophobicContact CB-CD2 3.57Å; A346-Y472 HydrophobicContact CB-CE2 4.14Å; A346-Y472 HydrophobicContact CB-CG 3.9Å; I470-Y472 HydrophobicContact CD1-CE2 4.16Å; I470-Y472 HydrophobicContact CG1-CE2 4.38Å; Y472-L492 HydrophobicContact CD1-CB 4.36Å; Y472-S493 VanDerWaalsContact CD1-O 3.25Å; Y472-S493 WeakPolarHBondContact CD1-O 3.32Å; Y472-P495 HydrophobicContact CD1-CB 4.43Å; Y472-P495 HydrophobicContact CE1-CB 3.76Å; Y472-P495 HydrophobicContact CE1-CG 4.09Å; Y472-P495 HydrophobicContact CE2-CB 4.13Å; Y472-L532 HydrophobicContact CD1-CD2 4.13Å; Y472-L532 HydrophobicContact CD2-CD2 4.46Å; Y472-L532 HydrophobicContact CE1-CD2 3.66Å; Y472-L532 HydrophobicContact CE2-CD2 4.04Å; Y472-L533 PolarHBondContact OH-N 3.08Å
473	F	93.8	Very high	84.5	Confident	3 Å²	3	23.1 Å²	23.1	1%	0.013	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	120.5	161	-69	-72	0	0	0	106.8	L314 F320 M322 I338 Q339 V340 I475 L492 S493 F496	L314-F473 HydrophobicContact CD1-CE2 3.96Å; L314-F473 HydrophobicContact CD1-CZ 3.5Å; L314-F473 VanDerWaalsContact CD1-CZ 3.5Å; F320-F473 HydrophobicContact CD2-CZ 4.45Å; F320-F473 HydrophobicContact CE2-CE1 4.08Å; F320-F473 HydrophobicContact CE2-CE2 4.46Å; F320-F473 AromaticContact CE2-CZ 3.57Å; F320-F473 HydrophobicContact CE2-CZ 3.57Å; F320-F473 HydrophobicContact CZ-CE1 4.05Å; F320-F473 AromaticContact CZ-CZ 3.79Å; F320-F473 HydrophobicContact CZ-CZ 3.79Å; M322-F473 HydrophobicContact CE-CB 4.25Å; M322-F473 HydrophobicContact CE-CD1 3.76Å; M322-F473 HydrophobicContact CE-CD2 3.53Å; M322-F473 HydrophobicContact CE-CE1 3.84Å; M322-F473 HydrophobicContact CE-CE2 3.62Å; M322-F473 HydrophobicContact CE-CG 3.58Å; M322-F473 HydrophobicContact CE-CZ 3.76Å; I338-F473 HydrophobicContact CG2-CD1 3.8Å; I338-F473 HydrophobicContact CG2-CE1 4.42Å; Q339-F473 CarbonylContact O-C 3.57Å; Q339-F473 WeakPolarHBondContact O-CA 3.4Å; V340-F473 HydrophobicContact CG2-CD1 3.88Å; V340-F473 HydrophobicContact CG2-CE1 3.66Å; F473-I475 HydrophobicContact CB-CD1 3.67Å; F473-I475 VanDerWaalsContact O-CD1 3.24Å; F473-I475 WeakPolarHBondContact O-CD1 3.41Å; F473-L492 WeakPolarHBondContact O-CA 3.32Å; F473-S493 PolarHBondContact N-OG 2.9Å; F473-S493 PolarHBondContact O-N 3.4Å; F473-F496 HydrophobicContact CD1-CE1 4.29Å; F473-F496 HydrophobicContact CD1-CZ 4.28Å; F473-F496 AromaticContact CD2-CD1 3.95Å; F473-F496 HydrophobicContact CD2-CD1 3.95Å; F473-F496 AromaticContact CD2-CE1 3.31Å; F473-F496 HydrophobicContact CD2-CE1 3.31Å; F473-F496 AromaticContact CD2-CZ 3.95Å; F473-F496 HydrophobicContact CD2-CZ 3.95Å; F473-F496 HydrophobicContact CE1-CE1 4.38Å; F473-F496 HydrophobicContact CE1-CZ 4.07Å; F473-F496 AromaticContact CE2-CD1 3.96Å; F473-F496 HydrophobicContact CE2-CD1 3.96Å; F473-F496 AromaticContact CE2-CE1 3.42Å; F473-F496 HydrophobicContact CE2-CE1 3.42Å; F473-F496 VanDerWaalsContact CE2-CE1 3.42Å; F473-F496 HydrophobicContact CE2-CE2 4.47Å; F473-F496 AromaticContact CE2-CZ 3.72Å; F473-F496 HydrophobicContact CE2-CZ 3.72Å; F473-F496 AromaticContact CG-CE1 3.79Å; F473-F496 HydrophobicContact CG-CE1 3.79Å; F473-F496 HydrophobicContact CG-CZ 4.24Å; F473-F496 AromaticContact CZ-CE1 3.99Å; F473-F496 HydrophobicContact CZ-CE1 3.99Å; F473-F496 HydrophobicContact CZ-CE2 4.46Å; F473-F496 AromaticContact CZ-CZ 3.79Å; F473-F496 HydrophobicContact CZ-CZ 3.79Å
474	H	94.8	Very high	86.5	Confident	8 Å²	8	18.2 Å²	18.2	4%	0.037	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	121.4	164.9	176.5	-144.7	0	0	0	108.3	I338 Q339 V341 I349 H490 L492	I338-H474 WeakPolarHBondContact CA-O 3.49Å; Q339-H474 PolarHBondContact N-O 3.01Å; Q339-H474 PolarHBondContact O-N 3.32Å; V341-H474 HydrophobicContact CG1-CB 3.95Å; V341-H474 HydrophobicContact CG2-CB 4.13Å; I349-H474 HydrophobicContact CD1-CB 4.12Å; H474-H490 AromaticContact CE1-ND1 3.85Å; H474-H490 AromaticContact NE2-ND1 3.26Å; H474-H490 PolarHBondContact NE2-ND1 3.21Å; H474-L492 HydrophobicContact CB-CD2 4.09Å
475	I	94.6	Very high	88.3	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	120.1	176.4	-62.5	69.5	0	0	0	106.4	V303 A305 C324 F336 E337 I338 F473 H490 T491	V303-I475 HydrophobicContact CG1-CG2 3.88Å; A305-I475 HydrophobicContact CB-CD1 3.38Å; A305-I475 HydrophobicContact CB-CG1 3.8Å; C324-I475 HydrophobicContact CB-CG2 4.4Å; F336-I475 HydrophobicContact CD1-CG2 4.01Å; E337-I475 WeakPolarHBondContact O-CA 3.33Å; I338-I475 HydrophobicContact CG1-CG1 4.36Å; F473-I475 HydrophobicContact CB-CD1 3.67Å; F473-I475 VanDerWaalsContact O-CD1 3.24Å; F473-I475 WeakPolarHBondContact O-CD1 3.41Å; I475-H490 WeakPolarHBondContact O-CA 3.2Å; I475-T491 HydrophobicContact CB-CG2 3.79Å; I475-T491 HydrophobicContact CD1-CG2 4.33Å; I475-T491 HydrophobicContact CG1-CG2 4.31Å; I475-T491 HydrophobicContact CG2-CG2 4.4Å; I475-T491 PolarHBondContact N-O 2.88Å; I475-T491 PolarHBondContact O-N 3.17Å
476	K	94.7	Very high	89.9	Confident	44 Å²	44	25.5 Å²	25.5	19%	0.191	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	110.6	171.5	172.6	-179.1	171.3	-164.5	0	108	E337 T488 A489	E337-K476 HydrophobicContact CB-CB 4.3Å; E337-K476 PolarHBondContact N-O 3.4Å; E337-K476 PolarHBondContact O-N 3.43Å; E337-K476 IonicContact OE2-NZ 2.73Å; K476-T488 HydrophobicContact CG-CG2 4.38Å; K476-A489 CarbonylContact C-O 3.57Å; K476-A489 WeakPolarHBondContact CA-O 3.24Å
477	A	94.8	Very high	91.1	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	123.7	175.1	0	0	0	0	0	109.8	V303 F333 D335 F336 T488 A489	V303-A477 HydrophobicContact CG2-CB 3.65Å; F333-A477 HydrophobicContact CD1-CB 3.67Å; F333-A477 HydrophobicContact CE1-CB 3.77Å; D335-A477 WeakPolarHBondContact O-CA 3.33Å; F336-A477 HydrophobicContact CD1-CB 3.74Å; F336-A477 HydrophobicContact CD2-CB 4.49Å; F336-A477 HydrophobicContact CE1-CB 3.65Å; F336-A477 HydrophobicContact CE2-CB 4.4Å; F336-A477 HydrophobicContact CG-CB 4.17Å; F336-A477 HydrophobicContact CZ-CB 4Å; A477-T488 CarbonylContact O-C 3.51Å; A477-T488 WeakPolarHBondContact O-CA 3.35Å; A477-A489 HydrophobicContact CB-CB 4.46Å; A477-A489 PolarHBondContact N-O 2.97Å; A477-A489 PolarHBondContact O-N 3.41Å
478	T	94.3	Very high	91.5	Very high	13 Å²	13	24.4 Å²	24.4	8%	0.08	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	127.8	177.1	-48.4	0	0	0	0	109.1	F333 K334 D335 F486	F333-T478 CarbonylContact C-O 3.59Å; F333-T478 WeakPolarHBondContact CA-O 3.48Å; K334-T478 HydrophobicContact CB-CG2 4.41Å; K334-T478 HydrophobicContact CD-CG2 4.16Å; K334-T478 PolarHBondContact N-O 3.21Å; D335-T478 PolarHBondContact O-N 2.97Å; D335-T478 WeakPolarHBondContact OD1-CB 3.48Å; D335-T478 PolarHBondContact OD1-OG1 2.99Å; T478-F486 HydrophobicContact CG2-CB 3.83Å; T478-F486 HydrophobicContact CG2-CD1 3.79Å; T478-F486 HydrophobicContact CG2-CG 3.9Å
479	M	93.6	Very high	92	Very high	4 Å²	4	22.9 Å²	22.9	2%	0.02	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	150.7	179.9	78.5	-168.6	82.8	0	0	112.2	M299 V331 F333 S481 F486 A487 A489	M299-M479 HydrophobicContact CB-CE 3.69Å; M299-M479 HydrophobicContact CB-SD 3.66Å; M299-M479 HydrophobicContact CG-SD 4.14Å; V331-M479 HydrophobicContact CG1-CB 3.89Å; V331-M479 HydrophobicContact CG1-CG 4.14Å; V331-M479 HydrophobicContact CG1-SD 4.07Å; F333-M479 HydrophobicContact CD1-CB 3.91Å; F333-M479 HydrophobicContact CE1-CB 3.95Å; F333-M479 HydrophobicContact CE1-CE 4.4Å; F333-M479 HydrophobicContact CG-CB 4.47Å; F333-M479 HydrophobicContact CZ-CB 4.5Å; M479-S481 PolarHBondContact O-N 3.14Å; M479-F486 WeakPolarHBondContact O-CA 3.48Å; M479-A487 HydrophobicContact CE-CB 4.32Å; M479-A487 HydrophobicContact CG-CB 3.82Å; M479-A487 PolarHBondContact N-O 3.29Å; M479-A487 PolarHBondContact O-N 3.48Å; M479-A487 VanDerWaalsContact O-N 3.12Å; M479-A487 HydrophobicContact SD-CB 4.15Å; M479-A489 HydrophobicContact CE-CB 3.77Å
480	F	93.4	Very high	92.3	Very high	1 Å²	1	21 Å²	21	0%	0.004	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	105.4	172.4	-61.9	-76.4	0	0	0	109.2	Y33 F36 H40 V332 K334 F486	Y33-F480 HydrophobicContact CD2-CE2 4.36Å; Y33-F480 HydrophobicContact CE2-CE2 4.5Å; F36-F480 HydrophobicContact CB-CB 4.42Å; F36-F480 HydrophobicContact CB-CD1 3.67Å; F36-F480 HydrophobicContact CB-CD2 3.62Å; F36-F480 HydrophobicContact CB-CE1 3.64Å; F36-F480 HydrophobicContact CB-CE2 3.61Å; F36-F480 HydrophobicContact CB-CG 3.65Å; F36-F480 HydrophobicContact CB-CZ 3.62Å; F36-F480 HydrophobicContact CD2-CB 4.34Å; F36-F480 HydrophobicContact CD2-CD2 4.07Å; F36-F480 HydrophobicContact CD2-CG 4.27Å; F36-F480 HydrophobicContact CG-CB 4.26Å; F36-F480 HydrophobicContact CG-CD1 4.35Å; F36-F480 HydrophobicContact CG-CD2 4.11Å; F36-F480 HydrophobicContact CG-CG 4Å; H40-F480 HydrophobicContact CB-CE1 4.42Å; H40-F480 AromaticContact CD2-CD1 3.64Å; H40-F480 AromaticContact CD2-CE1 3.62Å; H40-F480 AromaticContact NE2-CD1 3.97Å; V332-F480 HydrophobicContact CB-CD2 4.2Å; V332-F480 HydrophobicContact CG1-CD2 3.93Å; V332-F480 HydrophobicContact CG1-CE2 4.21Å; V332-F480 WeakPolarHBondContact O-CD2 3.31Å; V332-F480 PolarHBondContact O-N 3.47Å; K334-F480 HydrophobicContact CB-CD2 4.45Å; K334-F480 HydrophobicContact CB-CE1 4.27Å; K334-F480 HydrophobicContact CB-CE2 3.81Å; K334-F480 HydrophobicContact CB-CZ 3.7Å; K334-F480 HydrophobicContact CG-CE1 4.48Å; K334-F480 HydrophobicContact CG-CZ 3.97Å; F480-F486 HydrophobicContact CD1-CD1 4.2Å; F480-F486 AromaticContact CD1-CE1 3.57Å; F480-F486 HydrophobicContact CD1-CE1 3.57Å; F480-F486 AromaticContact CE1-CE1 3.54Å; F480-F486 HydrophobicContact CE1-CE1 3.54Å; F480-F486 HydrophobicContact CE1-CZ 4.27Å
481	S	91.6	Very high	92.5	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.007	10%	0.1	C	C	.	.			trans	-78.5	148	-176.1	177.6	0	0	0	0	112.3	R108 E296 M479 S483 G484 R485	R108-S481 VanDerWaalsContact CZ-O 3.25Å; R108-S481 PolarHBondContact NH1-O 3.29Å; R108-S481 PolarHBondContact NH2-O 2.85Å; E296-S481 VanDerWaalsContact OE1-CB 3.25Å; E296-S481 WeakPolarHBondContact OE1-CB 3.31Å; E296-S481 PolarHBondContact OE1-OG 3.24Å; M479-S481 PolarHBondContact O-N 3.14Å; S481-S483 WeakPolarHBondContact CB-OG 3.48Å; S481-S483 PolarHBondContact O-N 2.87Å; S481-S483 PolarHBondContact OG-N 3.41Å; S481-S483 VanDerWaalsContact OG-N 3.12Å; S481-S483 PolarHBondContact OG-OG 3.37Å; S481-G484 PolarHBondContact O-N 3.23Å; S481-G484 VanDerWaalsContact O-N 3.11Å; S481-R485 VanDerWaalsContact CB-O 3.32Å; S481-R485 WeakPolarHBondContact CB-O 3.39Å; S481-R485 PolarHBondContact N-O 2.97Å
482	P	90.1	Very high	92.6	Very high	4 Å²	4	20.7 Å²	20.7	3%	0.026	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-24.3	166.9	-22.8	32.7	0	0	0	114	W100 C104 N107 F292 L295 G484	W100-P482 HydrophobicContact CE3-CB 4.25Å; W100-P482 HydrophobicContact CE3-CG 3.53Å; W100-P482 HydrophobicContact CZ3-CB 4.31Å; W100-P482 HydrophobicContact CZ3-CG 3.85Å; C104-P482 WeakPolarHBondContact SG-CA 3.22Å; N107-P482 WeakPolarHBondContact CB-O 3.08Å; N107-P482 PolarHBondContact ND2-O 2.88Å; F292-P482 HydrophobicContact CD1-CB 3.61Å; F292-P482 HydrophobicContact CD1-CG 4.35Å; F292-P482 HydrophobicContact CD2-CB 4.36Å; F292-P482 HydrophobicContact CE1-CB 3.66Å; F292-P482 HydrophobicContact CE2-CB 4.4Å; F292-P482 HydrophobicContact CG-CB 3.99Å; F292-P482 HydrophobicContact CZ-CB 4.06Å; L295-P482 HydrophobicContact CD2-CG 3.78Å; P482-G484 PolarHBondContact O-N 2.9Å
483	S	88.2	Confident	92.5	Very high	24 Å²	24	20.7 Å²	20.7	17%	0.168	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-9.9	174.6	66.6	0	0	0	0	113.8	E296 S481 R485	E296-S483 PolarHBondContact OE1-OG 3.31Å; S481-S483 WeakPolarHBondContact CB-OG 3.48Å; S481-S483 PolarHBondContact O-N 2.87Å; S481-S483 PolarHBondContact OG-N 3.41Å; S481-S483 VanDerWaalsContact OG-N 3.12Å; S481-S483 PolarHBondContact OG-OG 3.37Å; S483-R485 VanDerWaalsContact C-N 3.28Å; S483-R485 PolarHBondContact OG-N 3.41Å
484	G	85.5	Confident	92.4	Very high	16 Å²	16	20.5 Å²	20.5	17%	0.165	10%	0.099	C	C	.	.	S	Bend	trans	93.4	-19.1	-175.1	0	0	0	0	0	112.8	H40 R108 S481 P482	H40-G484 PolarHBondContact CE1-O 2.96Å; R108-G484 PolarHBondContact NH2-O 3.4Å; S481-G484 PolarHBondContact O-N 3.23Å; S481-G484 VanDerWaalsContact O-N 3.11Å; P482-G484 PolarHBondContact O-N 2.9Å
485	R	88.6	Confident	92.3	Very high	184 Å²	184	20.1 Å²	20.1	69%	0.694	10%	0.097	S	C	*	.	S	Bend	trans	-91.7	-176.8	-179.3	-56.8	179.3	-174.2	164.7	4.5	111.8	S481 S483	S481-R485 VanDerWaalsContact CB-O 3.32Å; S481-R485 WeakPolarHBondContact CB-O 3.39Å; S481-R485 PolarHBondContact N-O 2.97Å; S483-R485 VanDerWaalsContact C-N 3.28Å; S483-R485 PolarHBondContact OG-N 3.41Å
486	F	92.1	Very high	92.1	Very high	87 Å²	87	20.1 Å²	20.1	38%	0.382	10%	0.097	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	142	166	-65.6	-60.1	0	0	0	110.4	H40 K334 T478 M479 F480	H40-F486 HydrophobicContact CB-CZ 3.92Å; H40-F486 AromaticContact CG-CZ 3.73Å; H40-F486 AromaticContact ND1-CZ 3.7Å; K334-F486 HydrophobicContact CD-CD1 4.37Å; K334-F486 HydrophobicContact CD-CE1 3.76Å; K334-F486 HydrophobicContact CD-CZ 3.99Å; T478-F486 HydrophobicContact CG2-CB 3.83Å; T478-F486 HydrophobicContact CG2-CD1 3.79Å; T478-F486 HydrophobicContact CG2-CG 3.9Å; M479-F486 WeakPolarHBondContact O-CA 3.48Å; F480-F486 HydrophobicContact CD1-CD1 4.2Å; F480-F486 AromaticContact CD1-CE1 3.57Å; F480-F486 HydrophobicContact CD1-CE1 3.57Å; F480-F486 AromaticContact CE1-CE1 3.54Å; F480-F486 HydrophobicContact CE1-CE1 3.54Å; F480-F486 HydrophobicContact CE1-CZ 4.27Å
487	A	92.5	Very high	91.8	Very high	10 Å²	10	18 Å²	18	8%	0.083	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	159.6	165.9	0	0	0	0	0	109.2	E296 M479	E296-A487 HydrophobicContact CB-CB 4.25Å; E296-A487 HydrophobicContact CG-CB 3.73Å; M479-A487 HydrophobicContact CE-CB 4.32Å; M479-A487 HydrophobicContact CG-CB 3.82Å; M479-A487 PolarHBondContact N-O 3.29Å; M479-A487 PolarHBondContact O-N 3.48Å; M479-A487 VanDerWaalsContact O-N 3.12Å; M479-A487 HydrophobicContact SD-CB 4.15Å
488	T	93.6	Very high	91.3	Very high	29 Å²	29	18.1 Å²	18.1	18%	0.178	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	138.8	-176.7	54.4	0	0	0	0	111.4	K476 A477 H490	K476-T488 HydrophobicContact CG-CG2 4.38Å; A477-T488 CarbonylContact O-C 3.51Å; A477-T488 WeakPolarHBondContact O-CA 3.35Å; T488-H490 WeakPolarHBondContact CB-NE2 3.49Å; T488-H490 PolarHBondContact OG1-NE2 3.44Å
489	A	93.3	Very high	90.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	142.1	169.7	0	0	0	0	0	109.6	M299 S300 V303 K476 A477 M479	M299-A489 WeakPolarHBondContact O-CB 3.31Å; S300-A489 CarbonylContact O-C 3.54Å; S300-A489 VanDerWaalsContact O-CA 3.31Å; S300-A489 WeakPolarHBondContact O-CA 3.41Å; V303-A489 HydrophobicContact CB-CB 4.48Å; V303-A489 HydrophobicContact CG2-CB 3.54Å; K476-A489 CarbonylContact C-O 3.57Å; K476-A489 WeakPolarHBondContact CA-O 3.24Å; A477-A489 HydrophobicContact CB-CB 4.46Å; A477-A489 PolarHBondContact N-O 2.97Å; A477-A489 PolarHBondContact O-N 3.41Å; M479-A489 HydrophobicContact CE-CB 3.77Å
490	H	93.6	Very high	89.7	Confident	1 Å²	1	19 Å²	19	1%	0.005	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	143.5	-174.1	-59.6	-84.6	0	0	0	111.5	S300 M353 I365 H474 I475 T488	S300-H490 PolarHBondContact O-N 2.9Å; M353-H490 HydrophobicContact CE-CB 3.99Å; M353-H490 WeakPolarHBondContact CE-O 3.36Å; M353-H490 HydrophobicContact CG-CB 4.25Å; M353-H490 HydrophobicContact SD-CB 3.8Å; I365-H490 HydrophobicContact CD1-CB 4.12Å; H474-H490 AromaticContact CE1-ND1 3.85Å; H474-H490 AromaticContact NE2-ND1 3.26Å; H474-H490 PolarHBondContact NE2-ND1 3.21Å; I475-H490 WeakPolarHBondContact O-CA 3.2Å; T488-H490 WeakPolarHBondContact CB-NE2 3.49Å; T488-H490 PolarHBondContact OG1-NE2 3.44Å
491	T	93.8	Very high	88.3	Confident	2 Å²	2	26.6 Å²	26.6	1%	0.012	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	162.7	168.9	-167.2	0	0	0	0	111	V303 A305 I475	V303-T491 HydrophobicContact CB-CG2 4.18Å; V303-T491 HydrophobicContact CG1-CG2 3.88Å; V303-T491 WeakPolarHBondContact O-CB 3.34Å; V303-T491 VanDerWaalsContact O-CG2 3.31Å; V303-T491 WeakPolarHBondContact O-CG2 3.43Å; V303-T491 PolarHBondContact O-OG1 2.82Å; A305-T491 HydrophobicContact CB-CG2 4.2Å; I475-T491 HydrophobicContact CB-CG2 3.79Å; I475-T491 HydrophobicContact CD1-CG2 4.33Å; I475-T491 HydrophobicContact CG1-CG2 4.31Å; I475-T491 HydrophobicContact CG2-CG2 4.4Å; I475-T491 PolarHBondContact N-O 2.88Å; I475-T491 PolarHBondContact O-N 3.17Å
492	L	93.7	Very high	86.4	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	135	175.8	-67.3	165.5	0	0	0	109.1	R226 V341 A346 I349 Q350 Y472 F473 H474 L531 L532	R226-L492 PolarHBondContact NH2-O 3.19Å; V341-L492 HydrophobicContact CG2-CD2 4.23Å; A346-L492 HydrophobicContact CB-CD1 4.08Å; A346-L492 HydrophobicContact CB-CD2 4.19Å; I349-L492 HydrophobicContact CD1-CD2 4.43Å; Q350-L492 HydrophobicContact CB-CD1 4.5Å; Y472-L492 HydrophobicContact CD1-CB 4.36Å; F473-L492 WeakPolarHBondContact O-CA 3.32Å; H474-L492 HydrophobicContact CB-CD2 4.09Å; L492-L531 HydrophobicContact CB-CB 4.26Å; L492-L531 HydrophobicContact CB-CD1 4.37Å; L492-L531 HydrophobicContact CD1-CB 4.49Å; L492-L532 HydrophobicContact CD1-CD2 3.82Å
493	S	92.1	Very high	84.1	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.014	19%	0.187	C	C	.	.			trans	-64.8	176.3	173.3	69.3	0	0	0	0	111.7	Y472 F473	Y472-S493 VanDerWaalsContact CD1-O 3.25Å; Y472-S493 WeakPolarHBondContact CD1-O 3.32Å; F473-S493 PolarHBondContact N-OG 2.9Å; F473-S493 PolarHBondContact O-N 3.4Å
494	L	91.7	Very high	81.9	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	22%	0.22	C	C	.	.			trans	-62.8	151.7	159.3	-73.5	-178.1	0	0	0	110.6	Q229 V230 M233 E307 Y523 L533	Q229-L494 HydrophobicContact CB-CD1 3.95Å; Q229-L494 HydrophobicContact CB-CD2 4.44Å; Q229-L494 HydrophobicContact CB-CG 4.31Å; V230-L494 HydrophobicContact CG2-CD1 4.48Å; V230-L494 HydrophobicContact CG2-CD2 3.75Å; M233-L494 HydrophobicContact CB-CD1 4.31Å; M233-L494 HydrophobicContact CG-CD1 3.6Å; E307-L494 HydrophobicContact CG-CD1 3.8Å; E307-L494 HydrophobicContact CG-CG 4.14Å; L494-Y523 HydrophobicContact CB-CE1 4.32Å; L494-Y523 HydrophobicContact CD1-CE1 4.39Å; L494-L533 HydrophobicContact CD2-CD1 4.49Å
495	P	91.9	Very high	79.9	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	24%	0.244	C	C	.	.			trans	-63.7	141.5	176.9	21.9	-29.5	0	0	0	110.7	I470 F471 Y472 L522 Y523 L533	I470-P495 HydrophobicContact CB-CB 4.41Å; I470-P495 HydrophobicContact CD1-CB 4.18Å; F471-P495 CarbonylContact O-C 3.56Å; F471-P495 VanDerWaalsContact O-CA 3.32Å; F471-P495 WeakPolarHBondContact O-CA 3.31Å; Y472-P495 HydrophobicContact CD1-CB 4.43Å; Y472-P495 HydrophobicContact CE1-CB 3.76Å; Y472-P495 HydrophobicContact CE1-CG 4.09Å; Y472-P495 HydrophobicContact CE2-CB 4.13Å; P495-L522 HydrophobicContact CB-CD2 3.64Å; P495-L522 HydrophobicContact CG-CD2 3.33Å; P495-L522 HydrophobicContact CG-CG 4.17Å; P495-Y523 HydrophobicContact CG-CE1 3.96Å; P495-Y523 PolarHBondContact O-OH 3.09Å; P495-L533 HydrophobicContact CG-CB 4.09Å; P495-L533 HydrophobicContact CG-CD1 3.73Å; P495-L533 HydrophobicContact CG-CG 4.01Å
496	F	90.6	Very high	77.8	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	168.2	174.7	65	-90.1	0	0	0	110.5	P308 A312 L314 V340 I470 F471 F473 I498	P308-F496 HydrophobicContact CG-CB 3.98Å; P308-F496 HydrophobicContact CG-CD1 4.43Å; P308-F496 HydrophobicContact CG-CG 4.5Å; A312-F496 HydrophobicContact CB-CB 4.39Å; A312-F496 CarbonylContact O-C 3.54Å; A312-F496 VanDerWaalsContact O-CA 3.28Å; A312-F496 WeakPolarHBondContact O-CA 3.34Å; A312-F496 VanDerWaalsContact O-CB 3.26Å; A312-F496 WeakPolarHBondContact O-CB 3.29Å; L314-F496 HydrophobicContact CB-CD2 4.38Å; L314-F496 HydrophobicContact CD1-CD2 3.63Å; L314-F496 HydrophobicContact CD1-CE2 3.37Å; L314-F496 HydrophobicContact CD1-CG 4.41Å; L314-F496 HydrophobicContact CD1-CZ 3.95Å; L314-F496 HydrophobicContact CG-CD2 3.87Å; L314-F496 HydrophobicContact CG-CE2 4.11Å; V340-F496 HydrophobicContact CG1-CE2 4.47Å; V340-F496 HydrophobicContact CG1-CZ 3.94Å; V340-F496 HydrophobicContact CG2-CZ 4.29Å; I470-F496 CarbonylContact C-O 3.59Å; I470-F496 WeakPolarHBondContact CA-O 3.13Å; F471-F496 HydrophobicContact CB-CD2 4.25Å; F471-F496 HydrophobicContact CB-CE1 4.18Å; F471-F496 HydrophobicContact CB-CE2 3.78Å; F471-F496 HydrophobicContact CB-CZ 3.75Å; F471-F496 HydrophobicContact CG-CE2 4.49Å; F471-F496 PolarHBondContact N-O 2.91Å; F471-F496 VanDerWaalsContact O-CD1 3.31Å; F471-F496 WeakPolarHBondContact O-CD1 3.48Å; F471-F496 PolarHBondContact O-N 2.9Å; F473-F496 HydrophobicContact CD1-CE1 4.29Å; F473-F496 HydrophobicContact CD1-CZ 4.28Å; F473-F496 AromaticContact CD2-CD1 3.95Å; F473-F496 HydrophobicContact CD2-CD1 3.95Å; F473-F496 AromaticContact CD2-CE1 3.31Å; F473-F496 HydrophobicContact CD2-CE1 3.31Å; F473-F496 AromaticContact CD2-CZ 3.95Å; F473-F496 HydrophobicContact CD2-CZ 3.95Å; F473-F496 HydrophobicContact CE1-CE1 4.38Å; F473-F496 HydrophobicContact CE1-CZ 4.07Å; F473-F496 AromaticContact CE2-CD1 3.96Å; F473-F496 HydrophobicContact CE2-CD1 3.96Å; F473-F496 AromaticContact CE2-CE1 3.42Å; F473-F496 HydrophobicContact CE2-CE1 3.42Å; F473-F496 VanDerWaalsContact CE2-CE1 3.42Å; F473-F496 HydrophobicContact CE2-CE2 4.47Å; F473-F496 AromaticContact CE2-CZ 3.72Å; F473-F496 HydrophobicContact CE2-CZ 3.72Å; F473-F496 AromaticContact CG-CE1 3.79Å; F473-F496 HydrophobicContact CG-CE1 3.79Å; F473-F496 HydrophobicContact CG-CZ 4.24Å; F473-F496 AromaticContact CZ-CE1 3.99Å; F473-F496 HydrophobicContact CZ-CE1 3.99Å; F473-F496 HydrophobicContact CZ-CE2 4.46Å; F473-F496 AromaticContact CZ-CZ 3.79Å; F473-F496 HydrophobicContact CZ-CZ 3.79Å; F496-I498 HydrophobicContact CD2-CG1 4.09Å; F496-I498 HydrophobicContact CE2-CD1 3.92Å; F496-I498 HydrophobicContact CE2-CG1 3.63Å
497	T	88.4	Confident	75.6	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	151.9	173.4	59.1	0	0	0	0	111.2	A312 L314 R468 I470 Y515 T518 I519	A312-T497 PolarHBondContact O-N 3.09Å; L314-T497 PolarHBondContact N-O 3.34Å; R468-T497 HydrophobicContact CB-CG2 4.38Å; I470-T497 HydrophobicContact CG2-CG2 4.26Å; T497-Y515 HydrophobicContact CG2-CD1 4.06Å; T497-T518 HydrophobicContact CG2-CG2 4.39Å; T497-I519 HydrophobicContact CG2-CD1 3.91Å; T497-I519 HydrophobicContact CG2-CG1 4.09Å
498	I	84.6	Confident	73.8	Confident	2 Å²	2	52.8 Å²	52.8	1%	0.01	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	109.4	175	-60.6	168.5	0	0	0	109	L314 T316 V340 A372 F471 F496	L314-I498 HydrophobicContact CB-CG1 4.41Å; L314-I498 CarbonylContact O-C 3.56Å; L314-I498 VanDerWaalsContact O-CA 3.29Å; L314-I498 WeakPolarHBondContact O-CA 3.39Å; T316-I498 HydrophobicContact CG2-CG2 3.65Å; V340-I498 HydrophobicContact CG1-CD1 4.01Å; A372-I498 HydrophobicContact CB-CD1 3.87Å; F471-I498 HydrophobicContact CD1-CD1 4.38Å; F471-I498 HydrophobicContact CD2-CB 4.23Å; F471-I498 HydrophobicContact CD2-CD1 3.82Å; F471-I498 HydrophobicContact CD2-CG1 3.76Å; F471-I498 HydrophobicContact CE2-CB 4.06Å; F471-I498 HydrophobicContact CE2-CD1 4.12Å; F471-I498 HydrophobicContact CE2-CG1 4.08Å; F471-I498 HydrophobicContact CG-CD1 3.97Å; F471-I498 HydrophobicContact CG-CG1 4.36Å; F496-I498 HydrophobicContact CD2-CG1 4.09Å; F496-I498 HydrophobicContact CE2-CD1 3.92Å; F496-I498 HydrophobicContact CE2-CG1 3.63Å
499	A	79.8	Confident	71.9	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.008	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	134.5	171	0	0	0	0	0	110.1	I313 L314 V315 T316 M512 Y515	I313-A499 HydrophobicContact CG2-CB 4.09Å; L314-A499 PolarHBondContact O-N 2.61Å; V315-A499 CarbonylContact C-O 3.57Å; V315-A499 WeakPolarHBondContact CA-O 3.16Å; V315-A499 HydrophobicContact CG2-CB 4.4Å; T316-A499 PolarHBondContact N-O 2.97Å; A499-M512 HydrophobicContact CB-SD 3.81Å; A499-Y515 HydrophobicContact CB-CD2 4Å; A499-Y515 HydrophobicContact CB-CE2 4.02Å; A499-Y515 HydrophobicContact CB-CG 4.48Å
500	T	74.8	Confident	70.1	Confident	33 Å²	33	61.8 Å²	61.8	20%	0.202	29%	0.291	C	S	.	.			trans	-84.4	131.2	173	61	0	0	0	0	110.3	T316 R502 M511	T316-T500 HydrophobicContact CG2-CG2 4.17Å; T316-T500 WeakPolarHBondContact OG1-CA 3.14Å; T500-R502 PolarHBondContact O-N 3.04Å; T500-M511 WeakPolarHBondContact O-CE 3.44Å
501	R	63.6	Low	68.5	Low	162 Å²	162	62.8 Å²	62.8	61%	0.611	30%	0.296	S	S	*	.			trans	-70.3	102	170.5	-168.1	177.5	-178.6	-167.7	-0.4	108.7	V315 T316	V315-R501 HydrophobicContact CG1-CB 3.97Å; T316-R501 PolarHBondContact OG1-N 2.82Å; T316-R501 VanDerWaalsContact OG1-N 3.12Å
502	R	52.7	Low	67.2	Low	158 Å²	158	65.3 Å²	65.3	60%	0.596	31%	0.309	S	S	*	.			trans	-103.2	141.6	163	-75.9	-170	-177.2	-165	0.9	109.1	T500 V508	T500-R502 PolarHBondContact O-N 3.04Å; R502-V508 WeakPolarHBondContact O-CG2 3.29Å
503	N	40.8	Very low	66.4	Low	147 Å²	147	65.7 Å²	65.7	79%	0.786	31%	0.311	S	S	*	.			trans	-64.1	135.4	-176	-69.1	-27.7	0	0	0	111.4
504	Q	41.4	Very low	66	Low	185 Å²	185	65.9 Å²	65.9	86%	0.864	31%	0.313	S	S	*	.	S	Bend	trans	23.5	93.4	160.6	-63	177.8	-3.7	0	0	117.4
505	D	43.7	Very low	65.7	Low	127 Å²	127	66.3 Å²	66.3	68%	0.679	32%	0.315	S	S	*	.	S	Bend	trans	-173.1	164.2	150.1	-108.8	-30.8	0	0	0	112.8	Q507 V508	D505-Q507 PolarHBondContact O-N 3.01Å; D505-V508 WeakPolarHBondContact O-CB 3.29Å; D505-V508 PolarHBondContact O-N 3.45Å
506	C	45.7	Very low	65.4	Low	77 Å²	77	67.6 Å²	67.6	52%	0.52	32%	0.323	S	S	.	.	H	α-helix	trans	-50.1	-17	175.1	-60.4	0	0	0	0	114.8	R510	C506-R510 PolarHBondContact O-N 3.07Å
507	Q	46.4	Very low	65.4	Low	137 Å²	137	67.6 Å²	67.6	64%	0.64	32%	0.323	S	S	*	.	H	α-helix	trans	-65.5	-34.9	169.2	-83	-171.3	2.2	0	0	113	D505 R510 M511	D505-Q507 PolarHBondContact O-N 3.01Å; Q507-R510 PolarHBondContact O-N 2.64Å; Q507-M511 WeakPolarHBondContact O-CB 3.21Å; Q507-M511 PolarHBondContact O-N 3.26Å
508	V	53.5	Low	65.4	Low	44 Å²	44	67.6 Å²	67.6	27%	0.267	32%	0.323	S	S	.	.	H	α-helix	trans	-65	-40.9	178.8	179.8	0	0	0	0	110.4	R502 D505 M511 M512	R502-V508 WeakPolarHBondContact O-CG2 3.29Å; D505-V508 WeakPolarHBondContact O-CB 3.29Å; D505-V508 PolarHBondContact O-N 3.45Å; V508-M511 PolarHBondContact O-N 2.81Å; V508-M512 HydrophobicContact CG1-CG 4.36Å; V508-M512 WeakPolarHBondContact O-CB 2.98Å; V508-M512 VanDerWaalsContact O-CG 3.25Å; V508-M512 WeakPolarHBondContact O-CG 3.43Å; V508-M512 PolarHBondContact O-N 3.27Å
509	Q	53.7	Low	65.7	Low	82 Å²	82	68.2 Å²	68.2	38%	0.383	33%	0.326	S	S	.	.	H	α-helix	trans	-66.1	-42.8	176	-72.9	-176.7	-16.6	0	0	112.4	M511 M512 S513	Q509-M511 VanDerWaalsContact C-N 3.28Å; Q509-M511 PolarHBondContact O-N 3.01Å; Q509-M512 PolarHBondContact O-N 3.43Å; Q509-S513 PolarHBondContact O-N 3.28Å
510	R	56.8	Low	66.2	Low	136 Å²	136	69.1 Å²	69.1	51%	0.513	33%	0.329	S	S	.	.	H	α-helix	trans	-63.7	-32.4	172.2	-86.4	-173.7	-83.1	153.6	-11.1	113.1	C506 Q507 S513	C506-R510 PolarHBondContact O-N 3.07Å; Q507-R510 PolarHBondContact O-N 2.64Å; R510-S513 PolarHBondContact O-OG 3.47Å
511	M	58.1	Low	67	Low	22 Å²	22	67.6 Å²	67.6	11%	0.108	32%	0.32	C	S	.	.	H	α-helix	trans	-73.1	-45	176.6	-179.1	175.6	68.4	0	0	110.5	L449 T500 Q507 V508 Q509 S513 S514 Y515	L449-M511 HydrophobicContact CD2-SD 4.32Å; T500-M511 WeakPolarHBondContact O-CE 3.44Å; Q507-M511 WeakPolarHBondContact O-CB 3.21Å; Q507-M511 PolarHBondContact O-N 3.26Å; V508-M511 PolarHBondContact O-N 2.81Å; Q509-M511 VanDerWaalsContact C-N 3.28Å; Q509-M511 PolarHBondContact O-N 3.01Å; M511-S513 VanDerWaalsContact C-N 3.25Å; M511-S513 PolarHBondContact O-N 3.44Å; M511-S514 PolarHBondContact O-N 2.99Å; M511-S514 PolarHBondContact O-OG 3.17Å; M511-Y515 HydrophobicContact CG-CD2 3.97Å; M511-Y515 HydrophobicContact CG-CE2 3.43Å; M511-Y515 VanDerWaalsContact CG-CE2 3.43Å; M511-Y515 WeakPolarHBondContact O-CD2 3.43Å; M511-Y515 PolarHBondContact O-N 3.24Å; M511-Y515 HydrophobicContact SD-CE2 4.08Å
512	M	67.4	Low	68.3	Low	55 Å²	55	59.9 Å²	59.9	27%	0.271	29%	0.291	S	S	.	.	H	α-helix	trans	-62	-30.6	176.1	-71.5	-59.7	-67.9	0	0	113	I313 A499 V508 Q509 Y515 T516	I313-M512 HydrophobicContact CD1-CE 4.43Å; I313-M512 HydrophobicContact CG2-CE 4.06Å; A499-M512 HydrophobicContact CB-SD 3.81Å; V508-M512 HydrophobicContact CG1-CG 4.36Å; V508-M512 WeakPolarHBondContact O-CB 2.98Å; V508-M512 VanDerWaalsContact O-CG 3.25Å; V508-M512 WeakPolarHBondContact O-CG 3.43Å; V508-M512 PolarHBondContact O-N 3.27Å; Q509-M512 PolarHBondContact O-N 3.43Å; M512-Y515 PolarHBondContact O-N 3.4Å; M512-T516 WeakPolarHBondContact O-CB 3.44Å; M512-T516 WeakPolarHBondContact O-CG2 3.39Å; M512-T516 PolarHBondContact O-N 3.27Å; M512-T516 PolarHBondContact O-OG1 3.39Å
513	S	77.4	Confident	70.2	Confident	9 Å²	9	52.7 Å²	52.7	6%	0.063	26%	0.264	C	S	.	.	H	α-helix	trans	-62.7	-44.2	176.9	74.4	0	0	0	0	112.7	Q509 R510 M511 T516 A517 W620	Q509-S513 PolarHBondContact O-N 3.28Å; R510-S513 PolarHBondContact O-OG 3.47Å; M511-S513 VanDerWaalsContact C-N 3.25Å; M511-S513 PolarHBondContact O-N 3.44Å; S513-T516 WeakPolarHBondContact CA-OG1 3.48Å; S513-T516 PolarHBondContact O-OG1 2.91Å; S513-A517 WeakPolarHBondContact O-CB 3.39Å; S513-A517 PolarHBondContact O-N 2.8Å; S513-W620 PolarHBondContact O-NE1 3.34Å
514	S	82.3	Confident	72.5	Confident	7 Å²	7	45.8 Å²	45.8	5%	0.049	23%	0.228	C	C	.	.	H	α-helix	trans	-66.9	-36.3	176.5	54	0	0	0	0	113.8	R468 M511 T518	R468-S514 VanDerWaalsContact CZ-OG 3.32Å; R468-S514 PolarHBondContact NE-OG 3.44Å; R468-S514 PolarHBondContact NH2-OG 2.78Å; M511-S514 PolarHBondContact O-N 2.99Å; M511-S514 PolarHBondContact O-OG 3.17Å; S514-T518 WeakPolarHBondContact O-CB 3.45Å; S514-T518 PolarHBondContact O-N 2.92Å; S514-T518 PolarHBondContact O-OG1 2.96Å
515	Y	86	Confident	74.8	Confident	9 Å²	9	38.1 Å²	38.1	4%	0.035	19%	0.194	C	C	.	.	H	α-helix	trans	-67.3	-48.8	176.7	-73.1	-67.7	0	0	0	112.1	R468 T497 A499 M511 M512 T518 I519	R468-Y515 HydrophobicContact CB-CD1 3.48Å; R468-Y515 VanDerWaalsContact CB-CD1 3.48Å; R468-Y515 HydrophobicContact CB-CE1 3.62Å; R468-Y515 HydrophobicContact CB-CG 4.37Å; R468-Y515 HydrophobicContact CG-CD1 3.53Å; R468-Y515 HydrophobicContact CG-CE1 3.71Å; R468-Y515 HydrophobicContact CG-CG 3.99Å; T497-Y515 HydrophobicContact CG2-CD1 4.06Å; A499-Y515 HydrophobicContact CB-CD2 4Å; A499-Y515 HydrophobicContact CB-CE2 4.02Å; A499-Y515 HydrophobicContact CB-CG 4.48Å; M511-Y515 HydrophobicContact CG-CD2 3.97Å; M511-Y515 HydrophobicContact CG-CE2 3.43Å; M511-Y515 VanDerWaalsContact CG-CE2 3.43Å; M511-Y515 WeakPolarHBondContact O-CD2 3.43Å; M511-Y515 PolarHBondContact O-N 3.24Å; M511-Y515 HydrophobicContact SD-CE2 4.08Å; M512-Y515 PolarHBondContact O-N 3.4Å; Y515-T518 PolarHBondContact O-N 3.06Å; Y515-I519 PolarHBondContact O-N 2.73Å
516	T	86.4	Confident	77	Confident	27 Å²	27	33.6 Å²	33.6	17%	0.166	17%	0.17	C	C	.	.	H	α-helix	trans	-62.4	-41.9	176.3	47.3	0	0	0	0	111.9	I313 M512 S513 T518 I519 F520 W620 L624	I313-T516 HydrophobicContact CD1-CG2 3.19Å; M512-T516 WeakPolarHBondContact O-CB 3.44Å; M512-T516 WeakPolarHBondContact O-CG2 3.39Å; M512-T516 PolarHBondContact O-N 3.27Å; M512-T516 PolarHBondContact O-OG1 3.39Å; S513-T516 WeakPolarHBondContact CA-OG1 3.48Å; S513-T516 PolarHBondContact O-OG1 2.91Å; T516-T518 VanDerWaalsContact C-N 3.34Å; T516-T518 PolarHBondContact O-N 3.01Å; T516-I519 PolarHBondContact O-N 2.68Å; T516-F520 WeakPolarHBondContact O-CB 3.28Å; T516-F520 PolarHBondContact O-N 3.37Å; T516-W620 PolarHBondContact OG1-NE1 3.02Å; T516-L624 HydrophobicContact CG2-CD2 4.43Å
517	A	89.1	Confident	79.2	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.8	-41.2	176.4	0	0	0	0	0	111.8	S513 I519 F520 W521 F598 L602 W620	S513-A517 WeakPolarHBondContact O-CB 3.39Å; S513-A517 PolarHBondContact O-N 2.8Å; A517-I519 VanDerWaalsContact C-N 3.34Å; A517-I519 PolarHBondContact O-N 3.39Å; A517-F520 PolarHBondContact O-N 2.92Å; A517-W521 VanDerWaalsContact O-CB 3.32Å; A517-W521 WeakPolarHBondContact O-CB 3.33Å; A517-W521 PolarHBondContact O-N 3.25Å; A517-F598 HydrophobicContact CB-CE2 3.81Å; A517-F598 HydrophobicContact CB-CZ 4.16Å; A517-L602 HydrophobicContact CB-CD1 4.43Å; A517-L602 HydrophobicContact CB-CD2 3.68Å; A517-L602 HydrophobicContact CB-CG 4.17Å; A517-W620 HydrophobicContact CB-CD2 4.15Å; A517-W620 HydrophobicContact CB-CG 3.94Å; A517-W620 VanDerWaalsContact N-NE1 3.2Å
518	T	89.8	Confident	81.3	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-59.3	-46.4	179.3	-60.1	0	0	0	0	110.8	K467 R468 I470 T497 S514 Y515 T516 W521 L522 W535	K467-T518 HydrophobicContact CG-CG2 4.12Å; R468-T518 HydrophobicContact CB-CG2 4.46Å; R468-T518 PolarHBondContact N-OG1 3.2Å; I470-T518 HydrophobicContact CG2-CG2 3.99Å; T497-T518 HydrophobicContact CG2-CG2 4.39Å; S514-T518 WeakPolarHBondContact O-CB 3.45Å; S514-T518 PolarHBondContact O-N 2.92Å; S514-T518 PolarHBondContact O-OG1 2.96Å; Y515-T518 PolarHBondContact O-N 3.06Å; T516-T518 VanDerWaalsContact C-N 3.34Å; T516-T518 PolarHBondContact O-N 3.01Å; T518-W521 PolarHBondContact O-N 3.05Å; T518-L522 VanDerWaalsContact O-CB 3.32Å; T518-L522 WeakPolarHBondContact O-CB 3.3Å; T518-L522 PolarHBondContact O-N 3.5Å; T518-W535 HydrophobicContact CG2-CZ3 3.97Å
519	I	89.8	Confident	83	Confident	15 Å²	15	28.9 Å²	28.9	8%	0.077	14%	0.143	C	C	.	.	H	α-helix	trans	-66.9	-44.7	177.3	-67.9	-55.3	0	0	0	111.7	A312 I313 T497 Y515 T516 A517 W521 L522 Y523	A312-I519 HydrophobicContact CB-CD1 4Å; A312-I519 HydrophobicContact CB-CG1 4.06Å; A312-I519 HydrophobicContact CB-CG2 3.64Å; I313-I519 HydrophobicContact CG1-CG1 4.38Å; T497-I519 HydrophobicContact CG2-CD1 3.91Å; T497-I519 HydrophobicContact CG2-CG1 4.09Å; Y515-I519 PolarHBondContact O-N 2.73Å; T516-I519 PolarHBondContact O-N 2.68Å; A517-I519 VanDerWaalsContact C-N 3.34Å; A517-I519 PolarHBondContact O-N 3.39Å; I519-W521 VanDerWaalsContact C-N 3.28Å; I519-W521 PolarHBondContact O-N 3.46Å; I519-L522 PolarHBondContact O-N 2.9Å; I519-Y523 HydrophobicContact CG2-CD2 3.57Å; I519-Y523 HydrophobicContact CG2-CE2 3.44Å; I519-Y523 VanDerWaalsContact CG2-CE2 3.44Å; I519-Y523 HydrophobicContact CG2-CG 4.39Å; I519-Y523 PolarHBondContact O-N 3.26Å
520	F	90.8	Very high	84.7	Confident	19 Å²	19	26.4 Å²	26.4	8%	0.083	14%	0.14	C	C	.	.	H	α-helix	trans	-55.8	-45.3	175.6	168.1	-94.6	0	0	0	111.4	T516 A517 G524 M540 F545 L548 H552 W620	T516-F520 WeakPolarHBondContact O-CB 3.28Å; T516-F520 PolarHBondContact O-N 3.37Å; A517-F520 PolarHBondContact O-N 2.92Å; F520-G524 WeakPolarHBondContact O-CA 3.41Å; F520-G524 PolarHBondContact O-N 3.41Å; F520-M540 HydrophobicContact CE1-CE 4.43Å; F520-F545 HydrophobicContact CE1-CD2 4.18Å; F520-F545 AromaticContact CE1-CE2 3.95Å; F520-F545 HydrophobicContact CE1-CE2 3.95Å; F520-F545 HydrophobicContact CZ-CD2 4.4Å; F520-F545 HydrophobicContact CZ-CE2 4.28Å; F520-L548 HydrophobicContact CE2-CB 3.78Å; F520-L548 HydrophobicContact CZ-CB 3.66Å; F520-H552 HydrophobicContact CD2-CB 4.22Å; F520-H552 HydrophobicContact CE2-CB 3.99Å; F520-W620 HydrophobicContact CB-CH2 3.5Å; F520-W620 VanDerWaalsContact CB-CH2 3.5Å; F520-W620 HydrophobicContact CB-CZ2 3.78Å; F520-W620 HydrophobicContact CB-CZ3 4.24Å; F520-W620 HydrophobicContact CD1-CE3 4.46Å; F520-W620 AromaticContact CD1-CH2 3.88Å; F520-W620 HydrophobicContact CD1-CH2 3.88Å; F520-W620 AromaticContact CD1-CZ3 3.73Å; F520-W620 HydrophobicContact CD1-CZ3 3.73Å; F520-W620 AromaticContact CD2-CH2 3.45Å; F520-W620 HydrophobicContact CD2-CH2 3.45Å; F520-W620 VanDerWaalsContact CD2-CH2 3.45Å; F520-W620 AromaticContact CD2-CZ3 3.82Å; F520-W620 HydrophobicContact CD2-CZ3 3.82Å; F520-W620 HydrophobicContact CE1-CH2 4.48Å; F520-W620 AromaticContact CE1-CZ3 3.98Å; F520-W620 HydrophobicContact CE1-CZ3 3.98Å; F520-W620 HydrophobicContact CE2-CH2 4.11Å; F520-W620 HydrophobicContact CE2-CZ3 4.04Å; F520-W620 AromaticContact CG-CH2 3.31Å; F520-W620 HydrophobicContact CG-CH2 3.31Å; F520-W620 HydrophobicContact CG-CZ2 4.1Å; F520-W620 AromaticContact CG-CZ3 3.64Å; F520-W620 HydrophobicContact CG-CZ3 3.64Å; F520-W620 HydrophobicContact CZ-CZ3 4.12Å
521	W	91.6	Very high	86.3	Confident	1 Å²	1	20.8 Å²	20.8	0%	0.004	12%	0.12	C	C	.	.	H	α-helix	trans	-63.7	-49.1	178.2	-165	-92.7	0	0	0	111.5	A517 T518 I519 G524 C525 W535 I536 M540 V596 T597 F598 V601	A517-W521 VanDerWaalsContact O-CB 3.32Å; A517-W521 WeakPolarHBondContact O-CB 3.33Å; A517-W521 PolarHBondContact O-N 3.25Å; T518-W521 PolarHBondContact O-N 3.05Å; I519-W521 VanDerWaalsContact C-N 3.28Å; I519-W521 PolarHBondContact O-N 3.46Å; W521-G524 PolarHBondContact O-N 2.94Å; W521-C525 WeakPolarHBondContact O-CB 3.21Å; W521-C525 PolarHBondContact O-N 2.82Å; W521-C525 PolarHBondContact O-SG 3.03Å; W521-C525 VanDerWaalsContact O-SG 3.37Å; W521-W535 HydrophobicContact CB-CH2 4.02Å; W521-W535 HydrophobicContact CB-CZ3 4.08Å; W521-W535 AromaticContact CD1-CH2 3.46Å; W521-W535 VanDerWaalsContact CD1-CH2 3.46Å; W521-W535 AromaticContact CD1-CZ2 3.78Å; W521-W535 AromaticContact CD1-CZ3 3.6Å; W521-W535 AromaticContact CG-CH2 3.83Å; W521-W535 HydrophobicContact CG-CH2 3.83Å; W521-W535 HydrophobicContact CG-CZ2 4.41Å; W521-W535 HydrophobicContact CG-CZ3 4.11Å; W521-I536 PolarHBondContact NE1-O 2.84Å; W521-I536 VanDerWaalsContact NE1-O 3.13Å; W521-M540 HydrophobicContact CB-CE 4.48Å; W521-M540 HydrophobicContact CD2-CE 3.33Å; W521-M540 HydrophobicContact CE3-CE 3.07Å; W521-M540 HydrophobicContact CG-CE 3.99Å; W521-M540 HydrophobicContact CH2-CB 4.1Å; W521-M540 HydrophobicContact CH2-CE 3.72Å; W521-M540 HydrophobicContact CH2-CG 3.95Å; W521-M540 HydrophobicContact CZ2-CE 3.98Å; W521-M540 HydrophobicContact CZ2-CG 3.99Å; W521-M540 HydrophobicContact CZ3-CE 3.31Å; W521-M540 HydrophobicContact CZ3-CG 4.45Å; W521-V596 WeakPolarHBondContact CH2-O 3.48Å; W521-T597 VanDerWaalsContact CH2-C 3.49Å; W521-F598 HydrophobicContact CB-CD2 3.77Å; W521-F598 HydrophobicContact CB-CE2 3.96Å; W521-F598 HydrophobicContact CD2-CB 3.84Å; W521-F598 AromaticContact CD2-CD2 3.58Å; W521-F598 HydrophobicContact CD2-CD2 3.58Å; W521-F598 HydrophobicContact CD2-CG 4.12Å; W521-F598 HydrophobicContact CE3-CB 4Å; W521-F598 AromaticContact CE3-CD2 3.63Å; W521-F598 HydrophobicContact CE3-CD2 3.63Å; W521-F598 HydrophobicContact CE3-CG 4.3Å; W521-F598 HydrophobicContact CG-CB 4.44Å; W521-F598 AromaticContact CG-CD2 3.64Å; W521-F598 HydrophobicContact CG-CD2 3.64Å; W521-F598 HydrophobicContact CG-CE2 4.31Å; W521-F598 HydrophobicContact CG-CG 4.33Å; W521-F598 HydrophobicContact CH2-CB 4.22Å; W521-F598 VanDerWaalsContact CH2-N 3.27Å; W521-F598 HydrophobicContact CZ2-CB 4.03Å; W521-F598 HydrophobicContact CZ3-CB 4.18Å; W521-F598 HydrophobicContact CZ3-CD2 4.48Å; W521-V601 HydrophobicContact CE3-CG2 4.32Å; W521-V601 HydrophobicContact CZ3-CG2 3.86Å
522	L	91.4	Very high	87.9	Confident	1 Å²	1	20.2 Å²	20.2	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-64	-47.5	-175.7	-170.4	61.4	0	0	0	112.4	I470 P495 T518 I519 N526 L533 W535	I470-L522 HydrophobicContact CD1-CD2 3.98Å; I470-L522 HydrophobicContact CG2-CD2 4.24Å; P495-L522 HydrophobicContact CB-CD2 3.64Å; P495-L522 HydrophobicContact CG-CD2 3.33Å; P495-L522 HydrophobicContact CG-CG 4.17Å; T518-L522 VanDerWaalsContact O-CB 3.32Å; T518-L522 WeakPolarHBondContact O-CB 3.3Å; T518-L522 PolarHBondContact O-N 3.5Å; I519-L522 PolarHBondContact O-N 2.9Å; L522-N526 PolarHBondContact O-N 3.33Å; L522-N526 VanDerWaalsContact O-N 3.14Å; L522-L533 HydrophobicContact CD1-CB 3.75Å; L522-L533 HydrophobicContact CD2-CB 4.42Å; L522-L533 HydrophobicContact CG-CB 3.93Å; L522-L533 HydrophobicContact CG-CD1 4.09Å; L522-W535 HydrophobicContact CD1-CE3 4.35Å
523	Y	91.7	Very high	89	Confident	6 Å²	6	17.7 Å²	17.7	2%	0.024	10%	0.104	C	C	.	.	H	α-helix	trans	-73.9	-28.9	176.5	-63.7	-19.5	0	0	0	112.9	V230 M233 A312 L494 P495 I519 L533	V230-Y523 HydrophobicContact CG1-CD1 4.45Å; V230-Y523 HydrophobicContact CG1-CG 4.5Å; V230-Y523 WeakPolarHBondContact CG1-O 3.33Å; M233-Y523 HydrophobicContact CB-CD2 3.82Å; M233-Y523 HydrophobicContact CB-CE2 3.59Å; M233-Y523 HydrophobicContact CE-CE2 4.17Å; M233-Y523 HydrophobicContact CG-CE2 4.19Å; A312-Y523 HydrophobicContact CB-CE2 3.68Å; A312-Y523 WeakPolarHBondContact CB-OH 3.45Å; L494-Y523 HydrophobicContact CB-CE1 4.32Å; L494-Y523 HydrophobicContact CD1-CE1 4.39Å; P495-Y523 HydrophobicContact CG-CE1 3.96Å; P495-Y523 PolarHBondContact O-OH 3.09Å; I519-Y523 HydrophobicContact CG2-CD2 3.57Å; I519-Y523 HydrophobicContact CG2-CE2 3.44Å; I519-Y523 VanDerWaalsContact CG2-CE2 3.44Å; I519-Y523 HydrophobicContact CG2-CG 4.39Å; I519-Y523 PolarHBondContact O-N 3.26Å; Y523-L533 HydrophobicContact CD1-CD1 3.56Å; Y523-L533 HydrophobicContact CE1-CD1 3.81Å
524	G	90.1	Very high	89.6	Confident	3 Å²	3	21.6 Å²	21.6	3%	0.031	12%	0.122	C	C	.	.	H	α-helix	trans	-68.2	-42.4	176	0	0	0	0	0	113.1	F520 W521 H544 L548	F520-G524 WeakPolarHBondContact O-CA 3.41Å; F520-G524 PolarHBondContact O-N 3.41Å; W521-G524 PolarHBondContact O-N 2.94Å; G524-H544 PolarHBondContact O-NE2 2.87Å; G524-L548 VanDerWaalsContact CA-CD1 3.48Å
525	C	89.6	Confident	89.8	Confident	24 Å²	24	23.1 Å²	23.1	16%	0.162	13%	0.126	C	C	.	.	H	α-helix	trans	-72.2	-38.9	176.2	-72.3	0	0	0	0	112.6	W521 T527 I536 M540	W521-C525 WeakPolarHBondContact O-CB 3.21Å; W521-C525 PolarHBondContact O-N 2.82Å; W521-C525 PolarHBondContact O-SG 3.03Å; W521-C525 VanDerWaalsContact O-SG 3.37Å; C525-T527 VanDerWaalsContact C-N 3.28Å; C525-T527 PolarHBondContact O-N 2.98Å; C525-I536 HydrophobicContact CB-CD1 3.69Å; C525-I536 HydrophobicContact CB-CG1 4.14Å; C525-M540 VanDerWaalsContact SG-CG 3.59Å
526	N	90.6	Very high	89.7	Confident	32 Å²	32	25.3 Å²	25.3	17%	0.171	14%	0.138	C	C	.	.			trans	50.2	41.7	176.4	-169.8	25.2	0	0	0	114.2	L227 V230 L522 Q528	L227-N526 WeakPolarHBondContact CD2-ND2 3.45Å; V230-N526 HydrophobicContact CG1-CB 4.07Å; L522-N526 PolarHBondContact O-N 3.33Å; L522-N526 VanDerWaalsContact O-N 3.14Å; N526-Q528 PolarHBondContact O-N 3.33Å; N526-Q528 WeakPolarHBondContact OD1-CG 3.13Å; N526-Q528 PolarHBondContact OD1-NE2 3.08Å
527	T	90.6	Very high	89.3	Confident	46 Å²	46	29.9 Å²	29.9	28%	0.282	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	105	171.9	-57.4	0	0	0	0	109.2	C525 L533 Q534 I536	C525-T527 VanDerWaalsContact C-N 3.28Å; C525-T527 PolarHBondContact O-N 2.98Å; T527-L533 CarbonylContact O-C 3.58Å; T527-L533 WeakPolarHBondContact O-CA 3.44Å; T527-Q534 HydrophobicContact CG2-CB 3.99Å; T527-Q534 PolarHBondContact O-N 2.93Å; T527-I536 WeakPolarHBondContact OG1-CD1 3.47Å; T527-I536 WeakPolarHBondContact OG1-CG1 3.44Å
528	Q	90.6	Very high	88.6	Confident	38 Å²	38	31.6 Å²	31.6	18%	0.178	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	136.1	-176.8	-58.2	-173.6	0.8	0	0	111.3	R226 L227 N526 L533	R226-Q528 HydrophobicContact CG-CG 4.47Å; L227-Q528 VanDerWaalsContact CD2-NE2 3.29Å; N526-Q528 PolarHBondContact O-N 3.33Å; N526-Q528 WeakPolarHBondContact OD1-CG 3.13Å; N526-Q528 PolarHBondContact OD1-NE2 3.08Å; Q528-L533 HydrophobicContact CG-CD2 3.79Å
529	D	89.9	Confident	88.1	Confident	75 Å²	75	32.4 Å²	32.4	40%	0.401	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	95.5	167.1	178.3	12.8	0	0	0	108.4	Q350 L531 L532 Q534	Q350-D529 PolarHBondContact NE2-O 3.37Å; Q350-D529 PolarHBondContact OE1-O 3.05Å; D529-L531 PolarHBondContact O-N 2.96Å; D529-L531 VanDerWaalsContact O-N 3.14Å; D529-L532 PolarHBondContact N-O 2.81Å; D529-L532 PolarHBondContact O-N 2.86Å; D529-Q534 HydrophobicContact CB-CG 3.72Å; D529-Q534 VanDerWaalsContact CB-NE2 3.26Å; D529-Q534 PolarHBondContact OD2-NE2 2.75Å
530	G	88.6	Confident	88	Confident	30 Å²	30	32 Å²	32	31%	0.309	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	60	-114.9	-170.8	0	0	0	0	0	112
531	L	89.9	Confident	87.8	Confident	18 Å²	18	35.4 Å²	35.4	9%	0.094	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-11.3	177.7	-56.8	174.9	0	0	0	112.8	W222 M353 L492 D529	W222-L531 HydrophobicContact CE3-CD2 4.3Å; M353-L531 HydrophobicContact CE-CD1 4.01Å; M353-L531 HydrophobicContact SD-CD1 4.34Å; L492-L531 HydrophobicContact CB-CB 4.26Å; L492-L531 HydrophobicContact CB-CD1 4.37Å; L492-L531 HydrophobicContact CD1-CB 4.49Å; D529-L531 PolarHBondContact O-N 2.96Å; D529-L531 VanDerWaalsContact O-N 3.14Å
532	L	92.6	Very high	87.5	Confident	9 Å²	9	36 Å²	36	5%	0.047	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	153.4	-176.6	-56.5	178.5	0	0	0	111.5	A346 E347 Q350 Y472 L492 D529	A346-L532 HydrophobicContact CB-CD2 3.75Å; E347-L532 HydrophobicContact CB-CD1 4.2Å; E347-L532 HydrophobicContact CG-CD1 3.56Å; Q350-L532 HydrophobicContact CB-CD1 4.37Å; Y472-L532 HydrophobicContact CD1-CD2 4.13Å; Y472-L532 HydrophobicContact CD2-CD2 4.46Å; Y472-L532 HydrophobicContact CE1-CD2 3.66Å; Y472-L532 HydrophobicContact CE2-CD2 4.04Å; L492-L532 HydrophobicContact CD1-CD2 3.82Å; D529-L532 PolarHBondContact N-O 2.81Å; D529-L532 PolarHBondContact O-N 2.86Å
533	L	91.3	Very high	87.4	Confident	2 Å²	2	40 Å²	40	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	124.2	165.8	-59.3	-176.3	0	0	0	109.1	V230 Y472 L494 P495 L522 Y523 T527 Q528	V230-L533 HydrophobicContact CG2-CD1 4.01Å; V230-L533 HydrophobicContact CG2-CD2 4.11Å; Y472-L533 PolarHBondContact OH-N 3.08Å; L494-L533 HydrophobicContact CD2-CD1 4.49Å; P495-L533 HydrophobicContact CG-CB 4.09Å; P495-L533 HydrophobicContact CG-CD1 3.73Å; P495-L533 HydrophobicContact CG-CG 4.01Å; L522-L533 HydrophobicContact CD1-CB 3.75Å; L522-L533 HydrophobicContact CD2-CB 4.42Å; L522-L533 HydrophobicContact CG-CB 3.93Å; L522-L533 HydrophobicContact CG-CD1 4.09Å; Y523-L533 HydrophobicContact CD1-CD1 3.56Å; Y523-L533 HydrophobicContact CE1-CD1 3.81Å; T527-L533 CarbonylContact O-C 3.58Å; T527-L533 WeakPolarHBondContact O-CA 3.44Å; Q528-L533 HydrophobicContact CG-CD2 3.79Å
534	Q	88.6	Confident	87.3	Confident	91 Å²	91	43 Å²	43	43%	0.425	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	141.5	177.1	-65.7	-172.1	-11.6	0	0	110.7	T527 D529	T527-Q534 HydrophobicContact CG2-CB 3.99Å; T527-Q534 PolarHBondContact O-N 2.93Å; D529-Q534 HydrophobicContact CB-CG 3.72Å; D529-Q534 VanDerWaalsContact CB-NE2 3.26Å; D529-Q534 PolarHBondContact OD2-NE2 2.75Å
535	W	88.1	Confident	87.3	Confident	39 Å²	39	42.9 Å²	42.9	15%	0.148	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-79.4	134.7	174.3	-177.7	-94.2	0	0	0	110.7	K467 T518 W521 L522 D537 F598	K467-W535 HydrophobicContact CB-CH2 4.13Å; K467-W535 HydrophobicContact CB-CZ2 3.99Å; K467-W535 HydrophobicContact CD-CD2 3.63Å; K467-W535 HydrophobicContact CD-CE3 3.84Å; K467-W535 HydrophobicContact CD-CG 3.99Å; K467-W535 HydrophobicContact CD-CH2 4.46Å; K467-W535 HydrophobicContact CD-CZ2 4.28Å; K467-W535 HydrophobicContact CD-CZ3 4.26Å; K467-W535 HydrophobicContact CG-CD2 4.16Å; K467-W535 HydrophobicContact CG-CE3 4.03Å; K467-W535 HydrophobicContact CG-CH2 3.92Å; K467-W535 HydrophobicContact CG-CZ2 4.05Å; K467-W535 HydrophobicContact CG-CZ3 3.91Å; T518-W535 HydrophobicContact CG2-CZ3 3.97Å; W521-W535 HydrophobicContact CB-CH2 4.02Å; W521-W535 HydrophobicContact CB-CZ3 4.08Å; W521-W535 AromaticContact CD1-CH2 3.46Å; W521-W535 VanDerWaalsContact CD1-CH2 3.46Å; W521-W535 AromaticContact CD1-CZ2 3.78Å; W521-W535 AromaticContact CD1-CZ3 3.6Å; W521-W535 AromaticContact CG-CH2 3.83Å; W521-W535 HydrophobicContact CG-CH2 3.83Å; W521-W535 HydrophobicContact CG-CZ2 4.41Å; W521-W535 HydrophobicContact CG-CZ3 4.11Å; L522-W535 HydrophobicContact CD1-CE3 4.35Å; W535-D537 VanDerWaalsContact CD1-OD1 3.25Å; W535-D537 PolarHBondContact NE1-OD1 2.86Å; W535-F598 AromaticContact CH2-CD1 3.89Å; W535-F598 HydrophobicContact CH2-CD1 3.89Å; W535-F598 AromaticContact CH2-CD2 3.8Å; W535-F598 HydrophobicContact CH2-CD2 3.8Å; W535-F598 AromaticContact CH2-CE1 3.98Å; W535-F598 HydrophobicContact CH2-CE1 3.98Å; W535-F598 AromaticContact CH2-CE2 3.87Å; W535-F598 HydrophobicContact CH2-CE2 3.87Å; W535-F598 AromaticContact CH2-CG 3.81Å; W535-F598 HydrophobicContact CH2-CG 3.81Å; W535-F598 AromaticContact CH2-CZ 3.95Å; W535-F598 HydrophobicContact CH2-CZ 3.95Å; W535-F598 HydrophobicContact CZ2-CB 4.13Å; W535-F598 AromaticContact CZ2-CD1 3.73Å; W535-F598 HydrophobicContact CZ2-CD1 3.73Å; W535-F598 HydrophobicContact CZ2-CD2 4.22Å; W535-F598 HydrophobicContact CZ2-CE1 4.18Å; W535-F598 AromaticContact CZ2-CG 3.75Å; W535-F598 HydrophobicContact CZ2-CG 3.75Å
536	I	83	Confident	87.3	Confident	55 Å²	55	43 Å²	43	28%	0.282	24%	0.235	S	C	.	.			trans	-108.3	121.8	174.9	-49.2	-179.3	0	0	0	110.1	W521 C525 T527	W521-I536 PolarHBondContact NE1-O 2.84Å; W521-I536 VanDerWaalsContact NE1-O 3.13Å; C525-I536 HydrophobicContact CB-CD1 3.69Å; C525-I536 HydrophobicContact CB-CG1 4.14Å; T527-I536 WeakPolarHBondContact OG1-CD1 3.47Å; T527-I536 WeakPolarHBondContact OG1-CG1 3.44Å
537	D	77.8	Confident	87.3	Confident	123 Å²	123	46.5 Å²	46.5	66%	0.658	25%	0.251	S	S	*	.			trans	-88.4	-22.5	173.8	-68.4	-53	0	0	0	113.8	W535 G539	W535-D537 VanDerWaalsContact CD1-OD1 3.25Å; W535-D537 PolarHBondContact NE1-OD1 2.86Å; D537-G539 PolarHBondContact O-N 2.86Å
538	G	74.3	Confident	87.4	Confident	37 Å²	37	44.5 Å²	44.5	38%	0.381	24%	0.238	S	C	.	.	S	Bend	trans	-66.6	4.5	-177	0	0	0	0	0	116.8
539	G	80	Confident	87.5	Confident	16 Å²	16	42.8 Å²	42.8	17%	0.165	23%	0.23	C	C	.	.			trans	79.8	170.6	179.3	0	0	0	0	0	114.5	D537 V596	D537-G539 PolarHBondContact O-N 2.86Å; G539-V596 CarbonylContact C-O 3.39Å; G539-V596 WeakPolarHBondContact CA-O 3.33Å
540	M	86.9	Confident	87.6	Confident	6 Å²	6	40.9 Å²	40.9	3%	0.03	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	142.5	174.5	-76.2	-166.1	-102	0	0	110.3	F520 W521 C525 L548 I595 V596	F520-M540 HydrophobicContact CE1-CE 4.43Å; W521-M540 HydrophobicContact CB-CE 4.48Å; W521-M540 HydrophobicContact CD2-CE 3.33Å; W521-M540 HydrophobicContact CE3-CE 3.07Å; W521-M540 HydrophobicContact CG-CE 3.99Å; W521-M540 HydrophobicContact CH2-CB 4.1Å; W521-M540 HydrophobicContact CH2-CE 3.72Å; W521-M540 HydrophobicContact CH2-CG 3.95Å; W521-M540 HydrophobicContact CZ2-CE 3.98Å; W521-M540 HydrophobicContact CZ2-CG 3.99Å; W521-M540 HydrophobicContact CZ3-CE 3.31Å; W521-M540 HydrophobicContact CZ3-CG 4.45Å; C525-M540 VanDerWaalsContact SG-CG 3.59Å; M540-L548 HydrophobicContact CE-CD1 4.41Å; M540-L548 HydrophobicContact SD-CD1 3.64Å; M540-I595 WeakPolarHBondContact O-CA 3.22Å; M540-V596 PolarHBondContact N-O 3.47Å; M540-V596 PolarHBondContact O-N 2.84Å
541	H	86.9	Confident	87.7	Confident	92 Å²	92	41.5 Å²	41.5	43%	0.426	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	144.2	171.8	-162.9	-92.7	0	0	0	110.8	D543 H544 F545 Q594	H541-D543 VanDerWaalsContact C-N 3.34Å; H541-D543 IonicContact CE1-OD2 3.5Å; H541-D543 PolarHBondContact CE1-OD2 3.43Å; H541-D543 PolarHBondContact ND1-N 3Å; H541-D543 IonicContact ND1-OD2 2.96Å; H541-D543 PolarHBondContact ND1-OD2 3.48Å; H541-D543 PolarHBondContact O-N 3.44Å; H541-H544 PolarHBondContact O-N 3.18Å; H541-H544 VanDerWaalsContact O-N 3.13Å; H541-F545 PolarHBondContact O-N 3.38Å; H541-Q594 CarbonylContact C-O 3.56Å; H541-Q594 WeakPolarHBondContact CA-O 3.39Å
542	W	85.6	Confident	87.7	Confident	13 Å²	13	42 Å²	42	5%	0.049	22%	0.215	C	C	.	.	H	α-helix	trans	-53.8	-48.1	-175.6	179	-114.6	0	0	0	112.5	H544 F545 K546 F568 L571 K572 L575 Q594 V596	W542-H544 VanDerWaalsContact C-N 3.33Å; W542-H544 PolarHBondContact O-N 3.1Å; W542-F545 HydrophobicContact CE3-CD1 4.38Å; W542-F545 HydrophobicContact CZ3-CD1 4.15Å; W542-F545 HydrophobicContact CZ3-CE1 4.46Å; W542-F545 PolarHBondContact O-N 3.25Å; W542-K546 HydrophobicContact CD2-CG 4.24Å; W542-K546 HydrophobicContact CZ2-CD 4.23Å; W542-K546 HydrophobicContact CZ2-CG 4.11Å; W542-K546 WeakPolarHBondContact O-CG 3.48Å; W542-K546 PolarHBondContact O-N 3.4Å; W542-F568 HydrophobicContact CZ2-CB 3.91Å; W542-L571 HydrophobicContact CH2-CB 4.44Å; W542-K572 HydrophobicContact CH2-CB 3.78Å; W542-K572 HydrophobicContact CH2-CG 4.27Å; W542-K572 HydrophobicContact CZ2-CB 3.64Å; W542-K572 HydrophobicContact CZ2-CD 4.26Å; W542-K572 HydrophobicContact CZ2-CG 3.98Å; W542-L575 HydrophobicContact CH2-CD1 4.04Å; W542-L575 HydrophobicContact CZ3-CD1 3.6Å; W542-Q594 WeakPolarHBondContact CB-O 3.45Å; W542-Q594 PolarHBondContact N-O 2.78Å; W542-V596 HydrophobicContact CE3-CG2 3.44Å; W542-V596 VanDerWaalsContact CE3-CG2 3.44Å; W542-V596 HydrophobicContact CZ3-CG2 3.82Å
543	D	88.3	Confident	87.6	Confident	84 Å²	84	41.6 Å²	41.6	45%	0.449	21%	0.213	S	C	.	.	H	α-helix	trans	-63.4	-38.2	-179.8	-63.1	-49.9	0	0	0	113.2	H541 K546 H547	H541-D543 VanDerWaalsContact C-N 3.34Å; H541-D543 IonicContact CE1-OD2 3.5Å; H541-D543 PolarHBondContact CE1-OD2 3.43Å; H541-D543 PolarHBondContact ND1-N 3Å; H541-D543 IonicContact ND1-OD2 2.96Å; H541-D543 PolarHBondContact ND1-OD2 3.48Å; H541-D543 PolarHBondContact O-N 3.44Å; D543-K546 PolarHBondContact O-N 2.89Å; D543-K546 WeakPolarHBondContact OD1-CE 3.11Å; D543-K546 IonicContact OD1-NZ 3.4Å; D543-K546 PolarHBondContact OD1-NZ 3.4Å; D543-H547 WeakPolarHBondContact O-CB 3.31Å; D543-H547 PolarHBondContact O-N 3.45Å
544	H	89.6	Confident	87.6	Confident	71 Å²	71	44.7 Å²	44.7	33%	0.329	23%	0.226	S	C	.	.	H	α-helix	trans	-65.9	-45.9	175.1	-168.5	59	0	0	0	110.7	G524 H541 W542 K546 H547 L548	G524-H544 PolarHBondContact O-NE2 2.87Å; H541-H544 PolarHBondContact O-N 3.18Å; H541-H544 VanDerWaalsContact O-N 3.13Å; W542-H544 VanDerWaalsContact C-N 3.33Å; W542-H544 PolarHBondContact O-N 3.1Å; H544-K546 PolarHBondContact O-N 3.44Å; H544-H547 PolarHBondContact O-N 3.44Å; H544-L548 VanDerWaalsContact O-CG 3.27Å; H544-L548 WeakPolarHBondContact O-CG 3.26Å; H544-L548 PolarHBondContact O-N 2.85Å
545	F	89.8	Confident	87.5	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-58.9	-46.2	175.1	175.1	-96.3	0	0	0	112.1	F520 H541 W542 H547 L548 F549 L575 V596 V601	F520-F545 HydrophobicContact CE1-CD2 4.18Å; F520-F545 AromaticContact CE1-CE2 3.95Å; F520-F545 HydrophobicContact CE1-CE2 3.95Å; F520-F545 HydrophobicContact CZ-CD2 4.4Å; F520-F545 HydrophobicContact CZ-CE2 4.28Å; H541-F545 PolarHBondContact O-N 3.38Å; W542-F545 HydrophobicContact CE3-CD1 4.38Å; W542-F545 HydrophobicContact CZ3-CD1 4.15Å; W542-F545 HydrophobicContact CZ3-CE1 4.46Å; W542-F545 PolarHBondContact O-N 3.25Å; F545-H547 PolarHBondContact O-N 2.88Å; F545-L548 PolarHBondContact O-N 2.83Å; F545-F549 HydrophobicContact CE1-CB 4.36Å; F545-F549 HydrophobicContact CE1-CD2 4.17Å; F545-F549 HydrophobicContact CE1-CG 4.42Å; F545-F549 HydrophobicContact CE2-CD2 4.31Å; F545-F549 HydrophobicContact CZ-CB 4.43Å; F545-F549 AromaticContact CZ-CD2 3.66Å; F545-F549 HydrophobicContact CZ-CD2 3.66Å; F545-F549 HydrophobicContact CZ-CE2 4.23Å; F545-F549 HydrophobicContact CZ-CG 4.32Å; F545-F549 VanDerWaalsContact O-CB 3.27Å; F545-F549 WeakPolarHBondContact O-CB 3.39Å; F545-F549 PolarHBondContact O-N 2.89Å; F545-L575 HydrophobicContact CD1-CD1 4.42Å; F545-L575 HydrophobicContact CE1-CD1 3.68Å; F545-L575 HydrophobicContact CZ-CD1 4.11Å; F545-V596 HydrophobicContact CB-CB 4.47Å; F545-V596 HydrophobicContact CB-CG2 4.07Å; F545-V596 HydrophobicContact CD1-CG2 4.07Å; F545-V596 HydrophobicContact CD2-CG1 4.2Å; F545-V596 HydrophobicContact CE2-CG1 4.37Å; F545-V596 HydrophobicContact CG-CB 4.34Å; F545-V596 HydrophobicContact CG-CG1 4.36Å; F545-V596 HydrophobicContact CG-CG2 3.99Å; F545-V601 HydrophobicContact CE2-CG2 3.77Å; F545-V601 HydrophobicContact CZ-CG2 4.34Å
546	K	90.4	Very high	87.4	Confident	25 Å²	25	41.7 Å²	41.7	11%	0.109	22%	0.217	C	C	.	.	H	α-helix	trans	-56.7	-49.5	176	-76	-166.1	-65.5	167.6	0	111.1	W542 D543 H544 L548 F549 K550 D565 F568	W542-K546 HydrophobicContact CD2-CG 4.24Å; W542-K546 HydrophobicContact CZ2-CD 4.23Å; W542-K546 HydrophobicContact CZ2-CG 4.11Å; W542-K546 WeakPolarHBondContact O-CG 3.48Å; W542-K546 PolarHBondContact O-N 3.4Å; D543-K546 PolarHBondContact O-N 2.89Å; D543-K546 WeakPolarHBondContact OD1-CE 3.11Å; D543-K546 IonicContact OD1-NZ 3.4Å; D543-K546 PolarHBondContact OD1-NZ 3.4Å; H544-K546 PolarHBondContact O-N 3.44Å; K546-L548 PolarHBondContact O-N 3.31Å; K546-F549 PolarHBondContact O-N 2.85Å; K546-K550 WeakPolarHBondContact O-CB 3.28Å; K546-K550 VanDerWaalsContact O-CG 3.25Å; K546-K550 WeakPolarHBondContact O-CG 3.45Å; K546-K550 PolarHBondContact O-N 2.99Å; K546-D565 IonicContact NZ-OD1 2.81Å; K546-D565 PolarHBondContact NZ-OD1 3.26Å; K546-F568 HydrophobicContact CB-CD1 4.37Å; K546-F568 HydrophobicContact CB-CE1 4.38Å; K546-F568 HydrophobicContact CD-CB 3.85Å; K546-F568 HydrophobicContact CD-CD1 4.3Å; K546-F568 HydrophobicContact CD-CD2 4.32Å; K546-F568 HydrophobicContact CD-CG 3.9Å; K546-F568 HydrophobicContact CG-CB 4.18Å; K546-F568 HydrophobicContact CG-CD1 3.72Å; K546-F568 HydrophobicContact CG-CD2 4.44Å; K546-F568 HydrophobicContact CG-CE1 4.2Å; K546-F568 HydrophobicContact CG-CG 3.85Å
547	H	91.5	Very high	87.7	Confident	107 Å²	107	39.1 Å²	39.1	50%	0.495	20%	0.204	S	C	.	.	H	α-helix	trans	-57.4	-49.4	179.1	177.8	74.2	0	0	0	111.4	D543 H544 F545 F549 K550 Q551	D543-H547 WeakPolarHBondContact O-CB 3.31Å; D543-H547 PolarHBondContact O-N 3.45Å; H544-H547 PolarHBondContact O-N 3.44Å; F545-H547 PolarHBondContact O-N 2.88Å; H547-F549 PolarHBondContact O-N 2.99Å; H547-K550 PolarHBondContact O-N 2.82Å; H547-Q551 WeakPolarHBondContact O-CB 3.09Å; H547-Q551 PolarHBondContact O-N 3.22Å
548	L	92.1	Very high	88.3	Confident	4 Å²	4	37.7 Å²	37.7	2%	0.021	20%	0.196	C	C	.	.	H	α-helix	trans	-62.9	-41.4	178.1	-67.4	175	0	0	0	112.7	R234 F520 G524 M540 H544 F545 K546 Q551 H552	R234-L548 HydrophobicContact CG-CD2 4.11Å; F520-L548 HydrophobicContact CE2-CB 3.78Å; F520-L548 HydrophobicContact CZ-CB 3.66Å; G524-L548 VanDerWaalsContact CA-CD1 3.48Å; M540-L548 HydrophobicContact CE-CD1 4.41Å; M540-L548 HydrophobicContact SD-CD1 3.64Å; H544-L548 VanDerWaalsContact O-CG 3.27Å; H544-L548 WeakPolarHBondContact O-CG 3.26Å; H544-L548 PolarHBondContact O-N 2.85Å; F545-L548 PolarHBondContact O-N 2.83Å; K546-L548 PolarHBondContact O-N 3.31Å; L548-Q551 PolarHBondContact O-N 2.69Å; L548-H552 VanDerWaalsContact O-CB 3.27Å; L548-H552 WeakPolarHBondContact O-CB 3.39Å; L548-H552 PolarHBondContact O-N 3.02Å
549	F	91.4	Very high	89.1	Confident	1 Å²	1	36.1 Å²	36.1	0%	0.004	18%	0.179	C	C	.	.	H	α-helix	trans	-68.1	-42	-179.8	-165.6	-90.6	0	0	0	111.6	F545 K546 H547 Q551 H552 F553 L563 F568 L571 V619 W620 M623	F545-F549 HydrophobicContact CE1-CB 4.36Å; F545-F549 HydrophobicContact CE1-CD2 4.17Å; F545-F549 HydrophobicContact CE1-CG 4.42Å; F545-F549 HydrophobicContact CE2-CD2 4.31Å; F545-F549 HydrophobicContact CZ-CB 4.43Å; F545-F549 AromaticContact CZ-CD2 3.66Å; F545-F549 HydrophobicContact CZ-CD2 3.66Å; F545-F549 HydrophobicContact CZ-CE2 4.23Å; F545-F549 HydrophobicContact CZ-CG 4.32Å; F545-F549 VanDerWaalsContact O-CB 3.27Å; F545-F549 WeakPolarHBondContact O-CB 3.39Å; F545-F549 PolarHBondContact O-N 2.89Å; K546-F549 PolarHBondContact O-N 2.85Å; H547-F549 PolarHBondContact O-N 2.99Å; F549-Q551 VanDerWaalsContact C-N 3.34Å; F549-H552 PolarHBondContact O-N 2.92Å; F549-F553 PolarHBondContact O-N 2.82Å; F549-L563 HydrophobicContact CD1-CD1 4.17Å; F549-L563 HydrophobicContact CE1-CD1 4.2Å; F549-F568 HydrophobicContact CB-CE1 3.93Å; F549-F568 HydrophobicContact CB-CZ 4.24Å; F549-F568 AromaticContact CD1-CE1 3.47Å; F549-F568 HydrophobicContact CD1-CE1 3.47Å; F549-F568 VanDerWaalsContact CD1-CE1 3.47Å; F549-F568 AromaticContact CD1-CZ 3.66Å; F549-F568 HydrophobicContact CD1-CZ 3.66Å; F549-F568 HydrophobicContact CE1-CE1 4.2Å; F549-F568 HydrophobicContact CE1-CZ 4.49Å; F549-F568 AromaticContact CG-CE1 3.96Å; F549-F568 HydrophobicContact CG-CE1 3.96Å; F549-F568 HydrophobicContact CG-CZ 4.37Å; F549-L571 HydrophobicContact CE1-CD1 3.88Å; F549-L571 HydrophobicContact CZ-CD1 4.29Å; F549-V619 HydrophobicContact CE2-CG1 3.98Å; F549-V619 HydrophobicContact CZ-CG1 3.97Å; F549-W620 HydrophobicContact CD2-CZ3 4.31Å; F549-W620 HydrophobicContact CE2-CE3 4.3Å; F549-W620 HydrophobicContact CE2-CZ3 4.42Å; F549-M623 HydrophobicContact CD1-CE 3.33Å; F549-M623 HydrophobicContact CD2-CE 3.92Å; F549-M623 HydrophobicContact CE1-CE 3.09Å; F549-M623 HydrophobicContact CE1-SD 4.29Å; F549-M623 HydrophobicContact CE2-CB 4.17Å; F549-M623 HydrophobicContact CE2-CE 3.68Å; F549-M623 HydrophobicContact CE2-CG 4.4Å; F549-M623 HydrophobicContact CG-CE 3.77Å; F549-M623 HydrophobicContact CZ-CB 3.96Å; F549-M623 HydrophobicContact CZ-CE 3.29Å; F549-M623 HydrophobicContact CZ-CG 4.27Å; F549-M623 HydrophobicContact CZ-SD 4.2Å
550	K	92.3	Very high	89.6	Confident	35 Å²	35	42 Å²	42	15%	0.152	20%	0.202	C	C	.	.	H	α-helix	trans	-57.7	-47	171.7	-75.2	178.1	179.4	179.2	0	111.4	K546 H547 F553 K554 S562 L563 D565 F568	K546-K550 WeakPolarHBondContact O-CB 3.28Å; K546-K550 VanDerWaalsContact O-CG 3.25Å; K546-K550 WeakPolarHBondContact O-CG 3.45Å; K546-K550 PolarHBondContact O-N 2.99Å; H547-K550 PolarHBondContact O-N 2.82Å; K550-F553 PolarHBondContact O-N 3.06Å; K550-K554 WeakPolarHBondContact O-CB 3.38Å; K550-K554 PolarHBondContact O-N 2.88Å; K550-S562 PolarHBondContact O-OG 2.85Å; K550-L563 WeakPolarHBondContact CD-O 3.46Å; K550-L563 VanDerWaalsContact CE-O 3.28Å; K550-L563 WeakPolarHBondContact CE-O 3.49Å; K550-L563 HydrophobicContact CG-CB 4.17Å; K550-D565 IonicContact NZ-OD1 3.69Å; K550-D565 PolarHBondContact NZ-OD1 2.88Å; K550-D565 IonicContact NZ-OD2 2.86Å; K550-D565 PolarHBondContact NZ-OD2 2.75Å; K550-F568 HydrophobicContact CD-CE2 4.03Å; K550-F568 HydrophobicContact CD-CZ 4.43Å; K550-F568 HydrophobicContact CG-CE2 3.51Å; K550-F568 HydrophobicContact CG-CZ 3.55Å
551	Q	90.6	Very high	89.8	Confident	43 Å²	43	44.7 Å²	44.7	20%	0.201	21%	0.212	C	C	.	.	H	α-helix	trans	-67.2	-43.9	-179.9	-173.9	61.8	3.8	0	0	111.4	D235 H547 L548 F549 F553 K554 V555	D235-Q551 WeakPolarHBondContact OD1-CG 3.49Å; H547-Q551 WeakPolarHBondContact O-CB 3.09Å; H547-Q551 PolarHBondContact O-N 3.22Å; L548-Q551 PolarHBondContact O-N 2.69Å; F549-Q551 VanDerWaalsContact C-N 3.34Å; Q551-F553 VanDerWaalsContact C-N 3.34Å; Q551-F553 PolarHBondContact O-N 3.26Å; Q551-K554 PolarHBondContact O-N 3.48Å; Q551-V555 HydrophobicContact CG-CG2 4.28Å; Q551-V555 VanDerWaalsContact O-CB 3.3Å; Q551-V555 WeakPolarHBondContact O-CB 3.35Å; Q551-V555 VanDerWaalsContact O-CG2 3.25Å; Q551-V555 WeakPolarHBondContact O-CG2 3.39Å; Q551-V555 PolarHBondContact O-N 3.1Å
552	H	90.7	Very high	89.9	Confident	29 Å²	29	41.9 Å²	41.9	13%	0.134	20%	0.203	C	C	.	.	H	α-helix	trans	-58.5	-45.3	175.5	-174.6	80	0	0	0	111.7	F520 L548 F549 N556 W620	F520-H552 HydrophobicContact CD2-CB 4.22Å; F520-H552 HydrophobicContact CE2-CB 3.99Å; L548-H552 VanDerWaalsContact O-CB 3.27Å; L548-H552 WeakPolarHBondContact O-CB 3.39Å; L548-H552 PolarHBondContact O-N 3.02Å; F549-H552 PolarHBondContact O-N 2.92Å; H552-N556 PolarHBondContact CE1-ND2 3.22Å; H552-N556 VanDerWaalsContact CE1-ND2 3.28Å; H552-N556 PolarHBondContact ND1-ND2 2.97Å; H552-N556 VanDerWaalsContact O-CB 3.29Å; H552-N556 WeakPolarHBondContact O-CB 3.37Å; H552-N556 PolarHBondContact O-N 2.94Å; H552-N556 PolarHBondContact O-ND2 2.96Å; H552-W620 AromaticContact CD2-CH2 3.65Å; H552-W620 AromaticContact CE1-CH2 3.83Å; H552-W620 AromaticContact CG-CH2 3.97Å; H552-W620 AromaticContact NE2-CH2 3.56Å; H552-W620 AromaticContact NE2-CZ2 3.81Å
553	F	91	Very high	90.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60	-54.5	174.2	177	-106.3	0	0	0	111.3	F549 K550 Q551 V555 N556 A557 V559 L563 M623 L626 L627 F630 W641	F549-F553 PolarHBondContact O-N 2.82Å; K550-F553 PolarHBondContact O-N 3.06Å; Q551-F553 VanDerWaalsContact C-N 3.34Å; Q551-F553 PolarHBondContact O-N 3.26Å; F553-V555 VanDerWaalsContact C-N 3.31Å; F553-V555 PolarHBondContact O-N 3.27Å; F553-N556 PolarHBondContact O-N 3.27Å; F553-A557 HydrophobicContact CD2-CB 4.25Å; F553-A557 HydrophobicContact CE2-CB 4.01Å; F553-A557 HydrophobicContact CZ-CB 4.24Å; F553-A557 WeakPolarHBondContact O-CB 3.34Å; F553-A557 PolarHBondContact O-N 2.93Å; F553-V559 HydrophobicContact CD1-CG2 4.32Å; F553-V559 HydrophobicContact CE1-CG2 3.96Å; F553-L563 HydrophobicContact CB-CD1 4.07Å; F553-L563 HydrophobicContact CD1-CD1 4.15Å; F553-L563 HydrophobicContact CD1-CD2 4.41Å; F553-L563 HydrophobicContact CD1-CG 3.77Å; F553-L563 HydrophobicContact CE1-CD2 4.33Å; F553-L563 HydrophobicContact CE1-CG 4.16Å; F553-L563 HydrophobicContact CG-CD1 4.02Å; F553-L563 HydrophobicContact CG-CG 4.17Å; F553-M623 HydrophobicContact CB-CE 3.61Å; F553-M623 HydrophobicContact CB-SD 4.14Å; F553-M623 HydrophobicContact CD2-CE 4.39Å; F553-M623 HydrophobicContact CD2-SD 3.88Å; F553-M623 HydrophobicContact CG-CE 4.43Å; F553-M623 HydrophobicContact CG-SD 4.48Å; F553-L626 HydrophobicContact CD2-CD2 3.98Å; F553-L626 HydrophobicContact CE2-CD2 3.51Å; F553-L626 HydrophobicContact CE2-CG 4.1Å; F553-L626 HydrophobicContact CZ-CD2 4.4Å; F553-L627 HydrophobicContact CD2-CD2 4.09Å; F553-F630 HydrophobicContact CE2-CD2 4.32Å; F553-F630 HydrophobicContact CE2-CE2 4.1Å; F553-F630 HydrophobicContact CE2-CZ 4.23Å; F553-F630 HydrophobicContact CZ-CD1 4.42Å; F553-F630 AromaticContact CZ-CE1 3.88Å; F553-F630 HydrophobicContact CZ-CE1 3.88Å; F553-F630 AromaticContact CZ-CE2 4Å; F553-F630 HydrophobicContact CZ-CE2 4Å; F553-F630 AromaticContact CZ-CZ 3.65Å; F553-F630 HydrophobicContact CZ-CZ 3.65Å; F553-W641 AromaticContact CE1-CE2 3.92Å; F553-W641 AromaticContact CE1-CZ2 3.76Å; F553-W641 HydrophobicContact CE1-CZ2 3.76Å; F553-W641 HydrophobicContact CZ-CZ2 4.24Å
554	K	91.4	Very high	90.3	Very high	67 Å²	67	42.1 Å²	42.1	29%	0.291	20%	0.204	S	C	.	.	H	α-helix	trans	-53.6	-50.3	-176.4	-174.7	-177.8	177	170.9	0	111.7	K550 Q551 D558 V559 Q560	K550-K554 WeakPolarHBondContact O-CB 3.38Å; K550-K554 PolarHBondContact O-N 2.88Å; Q551-K554 PolarHBondContact O-N 3.48Å; K554-D558 PolarHBondContact O-N 3.3Å; K554-V559 HydrophobicContact CG-CG2 4.49Å; K554-V559 WeakPolarHBondContact CG-O 3.47Å; K554-V559 PolarHBondContact O-N 3.29Å; K554-Q560 VanDerWaalsContact CE-O 3.29Å; K554-Q560 WeakPolarHBondContact CE-O 3.49Å
555	V	86.4	Confident	90.1	Very high	27 Å²	27	42.6 Å²	42.6	16%	0.164	21%	0.209	C	C	.	.	H	α-helix	trans	-69.1	-51.3	-177	169	0	0	0	0	111.4	D235 Q236 Q551 F553 D558	D235-V555 WeakPolarHBondContact O-CG2 3.3Å; Q236-V555 HydrophobicContact CB-CG1 3.43Å; Q236-V555 VanDerWaalsContact CB-CG1 3.43Å; Q236-V555 HydrophobicContact CG-CG1 3.39Å; Q551-V555 HydrophobicContact CG-CG2 4.28Å; Q551-V555 VanDerWaalsContact O-CB 3.3Å; Q551-V555 WeakPolarHBondContact O-CB 3.35Å; Q551-V555 VanDerWaalsContact O-CG2 3.25Å; Q551-V555 WeakPolarHBondContact O-CG2 3.39Å; Q551-V555 PolarHBondContact O-N 3.1Å; F553-V555 VanDerWaalsContact C-N 3.31Å; F553-V555 PolarHBondContact O-N 3.27Å; V555-D558 PolarHBondContact O-N 2.78Å
556	N	86.1	Confident	89.9	Confident	40 Å²	40	47.9 Å²	47.9	21%	0.214	24%	0.237	C	C	.	.	H	α-helix	trans	-78.2	-25.1	-173.9	-67.9	-88.5	0	0	0	112.5	Q236 H552 F553 L627 H631	Q236-N556 PolarHBondContact NE2-OD1 2.72Å; H552-N556 PolarHBondContact CE1-ND2 3.22Å; H552-N556 VanDerWaalsContact CE1-ND2 3.28Å; H552-N556 PolarHBondContact ND1-ND2 2.97Å; H552-N556 VanDerWaalsContact O-CB 3.29Å; H552-N556 WeakPolarHBondContact O-CB 3.37Å; H552-N556 PolarHBondContact O-N 2.94Å; H552-N556 PolarHBondContact O-ND2 2.96Å; F553-N556 PolarHBondContact O-N 3.27Å; N556-L627 HydrophobicContact CB-CD1 3.76Å; N556-L627 HydrophobicContact CB-CD2 3.92Å; N556-L627 HydrophobicContact CB-CG 4.46Å; N556-H631 PolarHBondContact O-NE2 3.3Å
557	A	88.8	Confident	89.5	Confident	1 Å²	1	47 Å²	47	1%	0.008	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-7	171.2	0	0	0	0	0	112.7	F553 V559 L627 F630	F553-A557 HydrophobicContact CD2-CB 4.25Å; F553-A557 HydrophobicContact CE2-CB 4.01Å; F553-A557 HydrophobicContact CZ-CB 4.24Å; F553-A557 WeakPolarHBondContact O-CB 3.34Å; F553-A557 PolarHBondContact O-N 2.93Å; A557-V559 HydrophobicContact CB-CG1 4.15Å; A557-V559 HydrophobicContact CB-CG2 4.02Å; A557-L627 HydrophobicContact CB-CD2 3.77Å; A557-F630 HydrophobicContact CB-CB 3.91Å; A557-F630 HydrophobicContact CB-CD1 3.84Å; A557-F630 HydrophobicContact CB-CG 3.96Å
558	D	89.3	Confident	89.1	Confident	93 Å²	93	42 Å²	42	50%	0.497	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	47.4	-175.4	-170.2	24.8	0	0	0	111.5	K554 V555 R638	K554-D558 PolarHBondContact O-N 3.3Å; V555-D558 PolarHBondContact O-N 2.78Å; D558-R638 VanDerWaalsContact CG-CZ 3.49Å; D558-R638 PolarHBondContact O-NE 2.98Å; D558-R638 PolarHBondContact O-NH2 3.04Å; D558-R638 IonicContact OD1-NH2 2.57Å; D558-R638 PolarHBondContact OD1-NH2 2.77Å; D558-R638 IonicContact OD2-CZ 2.75Å; D558-R638 IonicContact OD2-NH1 3.29Å; D558-R638 PolarHBondContact OD2-NH1 3.22Å; D558-R638 IonicContact OD2-NH2 3.46Å; D558-R638 PolarHBondContact OD2-NH2 3.2Å
559	V	91.3	Very high	88.3	Confident	4 Å²	4	45.4 Å²	45.4	2%	0.024	23%	0.227	C	C	.	.			trans	-117.5	153.8	-177.7	-65.4	0	0	0	0	112.6	F553 K554 A557 R561 F630 R638 E642	F553-V559 HydrophobicContact CD1-CG2 4.32Å; F553-V559 HydrophobicContact CE1-CG2 3.96Å; K554-V559 HydrophobicContact CG-CG2 4.49Å; K554-V559 WeakPolarHBondContact CG-O 3.47Å; K554-V559 PolarHBondContact O-N 3.29Å; A557-V559 HydrophobicContact CB-CG1 4.15Å; A557-V559 HydrophobicContact CB-CG2 4.02Å; V559-R561 VanDerWaalsContact CG2-O 3.26Å; V559-R561 WeakPolarHBondContact CG2-O 3.48Å; V559-F630 HydrophobicContact CG1-CD1 3.89Å; V559-F630 HydrophobicContact CG1-CE1 3.99Å; V559-R638 HydrophobicContact CG1-CG 3.95Å; V559-E642 WeakPolarHBondContact CA-OE1 3.25Å; V559-E642 WeakPolarHBondContact CB-OE1 3.46Å
560	Q	90.8	Very high	87.2	Confident	139 Å²	139	47.1 Å²	47.1	65%	0.65	24%	0.236	S	C	*	.	S	Bend	trans	-88	-45.7	171.9	-63.2	-55.6	-33.8	0	0	111.2	K554 S562 E642	K554-Q560 VanDerWaalsContact CE-O 3.29Å; K554-Q560 WeakPolarHBondContact CE-O 3.49Å; Q560-S562 PolarHBondContact O-N 3.24Å; Q560-E642 PolarHBondContact N-OE1 3.44Å
561	R	91.3	Very high	86.3	Confident	64 Å²	64	45.5 Å²	45.5	24%	0.242	23%	0.228	C	C	.	.	S	Bend	trans	-69.2	117.6	172.7	-178.1	179.9	170.6	-135.9	-6.3	110.6	V559 W641 E642 L646	V559-R561 VanDerWaalsContact CG2-O 3.26Å; V559-R561 WeakPolarHBondContact CG2-O 3.48Å; R561-W641 WeakPolarHBondContact CD-O 3.37Å; R561-W641 HydrophobicContact CG-CZ2 4.35Å; R561-W641 PolarHBondContact NH1-O 3.48Å; R561-W641 PolarHBondContact O-NE1 3.35Å; R561-E642 PolarHBondContact N-OE2 2.84Å; R561-L646 PolarHBondContact NH1-O 3.47Å; R561-L646 PolarHBondContact NH2-O 2.75Å
562	S	90.3	Very high	85.3	Confident	33 Å²	33	45.3 Å²	45.3	23%	0.231	23%	0.227	C	C	.	.			trans	-92	175.6	175.9	-163.9	0	0	0	0	112	K550 Q560	K550-S562 PolarHBondContact O-OG 2.85Å; Q560-S562 PolarHBondContact O-N 3.24Å
563	L	90.9	Very high	84	Confident	6 Å²	6	51 Å²	51	3%	0.031	25%	0.249	C	C	.	.			trans	-70.5	145.2	168.8	-62.5	166.9	0	0	0	109.9	F549 K550 F553 D567 F568 W641 F649 L670	F549-L563 HydrophobicContact CD1-CD1 4.17Å; F549-L563 HydrophobicContact CE1-CD1 4.2Å; K550-L563 WeakPolarHBondContact CD-O 3.46Å; K550-L563 VanDerWaalsContact CE-O 3.28Å; K550-L563 WeakPolarHBondContact CE-O 3.49Å; K550-L563 HydrophobicContact CG-CB 4.17Å; F553-L563 HydrophobicContact CB-CD1 4.07Å; F553-L563 HydrophobicContact CD1-CD1 4.15Å; F553-L563 HydrophobicContact CD1-CD2 4.41Å; F553-L563 HydrophobicContact CD1-CG 3.77Å; F553-L563 HydrophobicContact CE1-CD2 4.33Å; F553-L563 HydrophobicContact CE1-CG 4.16Å; F553-L563 HydrophobicContact CG-CD1 4.02Å; F553-L563 HydrophobicContact CG-CG 4.17Å; L563-D567 WeakPolarHBondContact CA-OD2 3.5Å; L563-D567 HydrophobicContact CB-CB 4.4Å; L563-D567 WeakPolarHBondContact CB-OD2 3.26Å; L563-D567 HydrophobicContact CD2-CB 4.46Å; L563-F568 HydrophobicContact CB-CE2 3.91Å; L563-F568 HydrophobicContact CB-CZ 4.38Å; L563-F568 HydrophobicContact CD1-CE2 4.45Å; L563-F568 HydrophobicContact CD1-CZ 4.19Å; L563-W641 HydrophobicContact CD2-CH2 3.89Å; L563-W641 HydrophobicContact CD2-CZ2 4.28Å; L563-F649 HydrophobicContact CD1-CE2 4.47Å; L563-F649 HydrophobicContact CD2-CD2 4.24Å; L563-F649 HydrophobicContact CD2-CE2 4.03Å; L563-L670 HydrophobicContact CD2-CD1 4.38Å
564	I	89.8	Confident	82.7	Confident	96 Å²	96	53.8 Å²	53.8	49%	0.492	26%	0.261	S	S	.	.			trans	-94.3	170.9	178.7	59.6	168.9	0	0	0	111	N566 D567 F568	I564-N566 VanDerWaalsContact C-N 3.34Å; I564-N566 HydrophobicContact CD1-CB 4.03Å; I564-N566 HydrophobicContact CG1-CB 4.35Å; I564-N566 PolarHBondContact O-N 3.38Å; I564-D567 HydrophobicContact CG1-CB 4.45Å; I564-D567 WeakPolarHBondContact CG1-OD2 3.49Å; I564-D567 PolarHBondContact N-OD2 3.11Å; I564-D567 WeakPolarHBondContact O-CB 3.26Å; I564-D567 PolarHBondContact O-N 3.46Å; I564-F568 WeakPolarHBondContact O-CD2 3.41Å; I564-F568 WeakPolarHBondContact O-CE2 3.32Å
565	D	86.6	Confident	81.6	Confident	80 Å²	80	51 Å²	51	43%	0.428	25%	0.249	S	C	.	.	S	Bend	trans	-64.7	-36.3	179.6	-79.1	-50.1	0	0	0	113.2	K546 K550 D567 F568	K546-D565 IonicContact NZ-OD1 2.81Å; K546-D565 PolarHBondContact NZ-OD1 3.26Å; K550-D565 IonicContact NZ-OD1 3.69Å; K550-D565 PolarHBondContact NZ-OD1 2.88Å; K550-D565 IonicContact NZ-OD2 2.86Å; K550-D565 PolarHBondContact NZ-OD2 2.75Å; D565-D567 PolarHBondContact O-N 3.44Å; D565-F568 WeakPolarHBondContact O-CB 3.34Å; D565-F568 PolarHBondContact O-N 3.06Å
566	N	84.5	Confident	80.6	Confident	111 Å²	111	52.6 Å²	52.6	59%	0.594	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-59.9	-32.8	179.1	-65.5	5	0	0	0	112.6	I564 F568 E569	I564-N566 VanDerWaalsContact C-N 3.34Å; I564-N566 HydrophobicContact CD1-CB 4.03Å; I564-N566 HydrophobicContact CG1-CB 4.35Å; I564-N566 PolarHBondContact O-N 3.38Å; N566-F568 PolarHBondContact O-N 3.31Å; N566-E569 PolarHBondContact O-N 2.87Å; N566-E569 VanDerWaalsContact O-N 3.16Å
567	D	82.7	Confident	79.6	Confident	8 Å²	8	51.2 Å²	51.2	4%	0.043	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-57.9	-22.4	176.4	-70.1	-35.3	0	0	0	112.9	L563 I564 D565 G648 F649	L563-D567 WeakPolarHBondContact CA-OD2 3.5Å; L563-D567 HydrophobicContact CB-CB 4.4Å; L563-D567 WeakPolarHBondContact CB-OD2 3.26Å; L563-D567 HydrophobicContact CD2-CB 4.46Å; I564-D567 HydrophobicContact CG1-CB 4.45Å; I564-D567 WeakPolarHBondContact CG1-OD2 3.49Å; I564-D567 PolarHBondContact N-OD2 3.11Å; I564-D567 WeakPolarHBondContact O-CB 3.26Å; I564-D567 PolarHBondContact O-N 3.46Å; D565-D567 PolarHBondContact O-N 3.44Å; D567-G648 VanDerWaalsContact OD1-CA 3.24Å; D567-G648 WeakPolarHBondContact OD1-CA 3.46Å; D567-F649 HydrophobicContact CB-CB 4.35Å; D567-F649 HydrophobicContact CB-CD2 4.11Å; D567-F649 PolarHBondContact OD1-N 3.5Å
568	F	82.4	Confident	78.1	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-93	-12.1	-176.1	-70.1	-94.9	0	0	0	114	W542 K546 F549 K550 L563 I564 D565 N566 L570 L571 K572	W542-F568 HydrophobicContact CZ2-CB 3.91Å; K546-F568 HydrophobicContact CB-CD1 4.37Å; K546-F568 HydrophobicContact CB-CE1 4.38Å; K546-F568 HydrophobicContact CD-CB 3.85Å; K546-F568 HydrophobicContact CD-CD1 4.3Å; K546-F568 HydrophobicContact CD-CD2 4.32Å; K546-F568 HydrophobicContact CD-CG 3.9Å; K546-F568 HydrophobicContact CG-CB 4.18Å; K546-F568 HydrophobicContact CG-CD1 3.72Å; K546-F568 HydrophobicContact CG-CD2 4.44Å; K546-F568 HydrophobicContact CG-CE1 4.2Å; K546-F568 HydrophobicContact CG-CG 3.85Å; F549-F568 HydrophobicContact CB-CE1 3.93Å; F549-F568 HydrophobicContact CB-CZ 4.24Å; F549-F568 AromaticContact CD1-CE1 3.47Å; F549-F568 HydrophobicContact CD1-CE1 3.47Å; F549-F568 VanDerWaalsContact CD1-CE1 3.47Å; F549-F568 AromaticContact CD1-CZ 3.66Å; F549-F568 HydrophobicContact CD1-CZ 3.66Å; F549-F568 HydrophobicContact CE1-CE1 4.2Å; F549-F568 HydrophobicContact CE1-CZ 4.49Å; F549-F568 AromaticContact CG-CE1 3.96Å; F549-F568 HydrophobicContact CG-CE1 3.96Å; F549-F568 HydrophobicContact CG-CZ 4.37Å; K550-F568 HydrophobicContact CD-CE2 4.03Å; K550-F568 HydrophobicContact CD-CZ 4.43Å; K550-F568 HydrophobicContact CG-CE2 3.51Å; K550-F568 HydrophobicContact CG-CZ 3.55Å; L563-F568 HydrophobicContact CB-CE2 3.91Å; L563-F568 HydrophobicContact CB-CZ 4.38Å; L563-F568 HydrophobicContact CD1-CE2 4.45Å; L563-F568 HydrophobicContact CD1-CZ 4.19Å; I564-F568 WeakPolarHBondContact O-CD2 3.41Å; I564-F568 WeakPolarHBondContact O-CE2 3.32Å; D565-F568 WeakPolarHBondContact O-CB 3.34Å; D565-F568 PolarHBondContact O-N 3.06Å; N566-F568 PolarHBondContact O-N 3.31Å; F568-L570 VanDerWaalsContact C-N 3.31Å; F568-L570 PolarHBondContact O-N 3.43Å; F568-L571 HydrophobicContact CD1-CB 4.43Å; F568-L571 HydrophobicContact CD1-CD1 3.69Å; F568-L571 HydrophobicContact CE1-CD1 3.93Å; F568-L571 HydrophobicContact CG-CD1 4.35Å; F568-L571 CarbonylContact O-C 3.58Å; F568-L571 WeakPolarHBondContact O-CA 3.37Å; F568-L571 WeakPolarHBondContact O-CB 3.43Å; F568-L571 PolarHBondContact O-N 2.98Å; F568-K572 WeakPolarHBondContact O-CB 3.42Å; F568-K572 PolarHBondContact O-N 2.84Å
569	E	75.8	Confident	76.7	Confident	77 Å²	77	56.4 Å²	56.4	36%	0.36	28%	0.281	S	S	.	.	H	α-helix	trans	-62.4	-43	176.3	-68.2	-54	137	0	0	110.3	N566 L571 K572 Y573	N566-E569 PolarHBondContact O-N 2.87Å; N566-E569 VanDerWaalsContact O-N 3.16Å; E569-L571 VanDerWaalsContact C-N 3.28Å; E569-L571 PolarHBondContact O-N 3.39Å; E569-K572 VanDerWaalsContact O-CB 3.31Å; E569-K572 WeakPolarHBondContact O-CB 3.47Å; E569-K572 PolarHBondContact O-N 3.29Å; E569-K572 IonicContact OE1-NZ 3.96Å; E569-K572 WeakPolarHBondContact OE2-CD 3.26Å; E569-K572 IonicContact OE2-NZ 3.01Å; E569-K572 PolarHBondContact OE2-NZ 2.65Å; E569-Y573 WeakPolarHBondContact O-CD2 3.47Å
570	L	68.9	Low	75.1	Confident	37 Å²	37	56.7 Å²	56.7	19%	0.194	28%	0.283	C	S	.	.	H	α-helix	trans	-61.6	-36.3	172.2	-175.4	65.5	0	0	0	112.4	F568 K574 F649 E651	F568-L570 VanDerWaalsContact C-N 3.31Å; F568-L570 PolarHBondContact O-N 3.43Å; L570-K574 HydrophobicContact CG-CD 4.21Å; L570-K574 WeakPolarHBondContact O-CD 3.25Å; L570-K574 VanDerWaalsContact O-CG 3.23Å; L570-K574 WeakPolarHBondContact O-CG 3.42Å; L570-K574 PolarHBondContact O-N 3.22Å; L570-F649 HydrophobicContact CD2-CB 4.29Å; L570-E651 HydrophobicContact CD1-CG 4.29Å
571	L	72	Confident	73.6	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-72.4	-30.4	179.3	-77	175.6	0	0	0	113.2	W542 F549 F568 E569 K574 L575 V619 F672	W542-L571 HydrophobicContact CH2-CB 4.44Å; F549-L571 HydrophobicContact CE1-CD1 3.88Å; F549-L571 HydrophobicContact CZ-CD1 4.29Å; F568-L571 HydrophobicContact CD1-CB 4.43Å; F568-L571 HydrophobicContact CD1-CD1 3.69Å; F568-L571 HydrophobicContact CE1-CD1 3.93Å; F568-L571 HydrophobicContact CG-CD1 4.35Å; F568-L571 CarbonylContact O-C 3.58Å; F568-L571 WeakPolarHBondContact O-CA 3.37Å; F568-L571 WeakPolarHBondContact O-CB 3.43Å; F568-L571 PolarHBondContact O-N 2.98Å; E569-L571 VanDerWaalsContact C-N 3.28Å; E569-L571 PolarHBondContact O-N 3.39Å; L571-K574 HydrophobicContact CD2-CD 4.36Å; L571-K574 CarbonylContact O-C 3.57Å; L571-K574 WeakPolarHBondContact O-CB 3.32Å; L571-K574 PolarHBondContact O-N 2.92Å; L571-L575 WeakPolarHBondContact O-CG 3.22Å; L571-L575 PolarHBondContact O-N 3.36Å; L571-V619 HydrophobicContact CD2-CG1 3.66Å; L571-V619 HydrophobicContact CD2-CG2 4.1Å; L571-F672 HydrophobicContact CD2-CD2 3.68Å; L571-F672 HydrophobicContact CD2-CE2 3.69Å
572	K	70	Confident	71.7	Confident	39 Å²	39	51.6 Å²	51.6	17%	0.17	27%	0.272	C	S	.	.	H	α-helix	trans	-62.5	-48.3	179.2	-169.9	174	166.3	-169.2	0	110.8	W542 F568 E569 K574 L575 Q576 V592	W542-K572 HydrophobicContact CH2-CB 3.78Å; W542-K572 HydrophobicContact CH2-CG 4.27Å; W542-K572 HydrophobicContact CZ2-CB 3.64Å; W542-K572 HydrophobicContact CZ2-CD 4.26Å; W542-K572 HydrophobicContact CZ2-CG 3.98Å; F568-K572 WeakPolarHBondContact O-CB 3.42Å; F568-K572 PolarHBondContact O-N 2.84Å; E569-K572 VanDerWaalsContact O-CB 3.31Å; E569-K572 WeakPolarHBondContact O-CB 3.47Å; E569-K572 PolarHBondContact O-N 3.29Å; E569-K572 IonicContact OE1-NZ 3.96Å; E569-K572 WeakPolarHBondContact OE2-CD 3.26Å; E569-K572 IonicContact OE2-NZ 3.01Å; E569-K572 PolarHBondContact OE2-NZ 2.65Å; K572-K574 VanDerWaalsContact C-N 3.29Å; K572-K574 PolarHBondContact O-N 3.48Å; K572-L575 PolarHBondContact O-N 3.34Å; K572-Q576 VanDerWaalsContact O-CG 3.25Å; K572-Q576 WeakPolarHBondContact O-CG 3.13Å; K572-Q576 PolarHBondContact O-N 3.4Å; K572-V592 HydrophobicContact CD-CG1 4.43Å
573	Y	64.2	Low	69.9	Low	150 Å²	150	54 Å²	54	59%	0.588	30%	0.303	S	S	*	.	H	α-helix	trans	-59.7	-41.9	172.2	-64.4	-67.3	0	0	0	111.8	E569 L575 Q576	E569-Y573 WeakPolarHBondContact O-CD2 3.47Å; Y573-L575 VanDerWaalsContact C-N 3.31Å; Y573-L575 PolarHBondContact O-N 2.95Å; Y573-Q576 PolarHBondContact O-N 3.09Å
574	K	63.3	Low	68.1	Low	58 Å²	58	59.1 Å²	59.1	25%	0.252	33%	0.326	S	S	.	.	H	α-helix	trans	-66.3	-28.7	-179	-74.9	174.8	177.9	-74.4	0	113.8	L570 L571 K572 L606 V619 F672	L570-K574 HydrophobicContact CG-CD 4.21Å; L570-K574 WeakPolarHBondContact O-CD 3.25Å; L570-K574 VanDerWaalsContact O-CG 3.23Å; L570-K574 WeakPolarHBondContact O-CG 3.42Å; L570-K574 PolarHBondContact O-N 3.22Å; L571-K574 HydrophobicContact CD2-CD 4.36Å; L571-K574 CarbonylContact O-C 3.57Å; L571-K574 WeakPolarHBondContact O-CB 3.32Å; L571-K574 PolarHBondContact O-N 2.92Å; K572-K574 VanDerWaalsContact C-N 3.29Å; K572-K574 PolarHBondContact O-N 3.48Å; K574-L606 HydrophobicContact CB-CD2 3.59Å; K574-L606 HydrophobicContact CB-CG 4.46Å; K574-L606 HydrophobicContact CD-CD2 3.37Å; K574-L606 HydrophobicContact CG-CD2 3.32Å; K574-V619 HydrophobicContact CB-CG2 4.22Å; K574-F672 HydrophobicContact CD-CB 4.44Å; K574-F672 PolarHBondContact NZ-O 3.26Å
575	L	67.6	Low	65.9	Low	9 Å²	9	62.7 Å²	62.7	5%	0.047	35%	0.347	C	S	.	.	H	α-helix	trans	-87.8	-17.3	178	-72.5	165.2	0	0	0	112.8	W542 F545 L571 K572 Y573 C577 N600 V619	W542-L575 HydrophobicContact CH2-CD1 4.04Å; W542-L575 HydrophobicContact CZ3-CD1 3.6Å; F545-L575 HydrophobicContact CD1-CD1 4.42Å; F545-L575 HydrophobicContact CE1-CD1 3.68Å; F545-L575 HydrophobicContact CZ-CD1 4.11Å; L571-L575 WeakPolarHBondContact O-CG 3.22Å; L571-L575 PolarHBondContact O-N 3.36Å; K572-L575 PolarHBondContact O-N 3.34Å; Y573-L575 VanDerWaalsContact C-N 3.31Å; Y573-L575 PolarHBondContact O-N 2.95Å; L575-C577 PolarHBondContact O-N 3.36Å; L575-N600 HydrophobicContact CD2-CB 4.04Å; L575-N600 WeakPolarHBondContact CD2-O 3.48Å; L575-N600 PolarHBondContact O-ND2 3.37Å; L575-V619 HydrophobicContact CD2-CB 4.11Å; L575-V619 HydrophobicContact CD2-CG2 3.76Å; L575-V619 HydrophobicContact CG-CG2 3.97Å
576	Q	65.6	Low	64.2	Low	60 Å²	60	61.9 Å²	61.9	28%	0.28	36%	0.357	S	S	.	.			trans	-80.6	53.6	176.1	-72	173.6	5.1	0	0	112.9	K572 Y573 P578 Q593	K572-Q576 VanDerWaalsContact O-CG 3.25Å; K572-Q576 WeakPolarHBondContact O-CG 3.13Å; K572-Q576 PolarHBondContact O-N 3.4Å; Y573-Q576 PolarHBondContact O-N 3.09Å; Q576-P578 WeakPolarHBondContact O-CD 3.22Å; Q576-Q593 HydrophobicContact CG-CB 3.74Å
577	C	64.8	Low	62.7	Low	11 Å²	11	56.8 Å²	56.8	7%	0.074	33%	0.33	C	S	.	.			trans	-67.1	122.9	177	175.9	0	0	0	0	110.9	L575 D579 C580 C581 C603 H605	L575-C577 PolarHBondContact O-N 3.36Å; C577-D579 PolarHBondContact O-N 3.25Å; C577-C580 HydrophobicContact CB-CB 3.92Å; C577-C580 CarbonylContact O-C 3.43Å; C577-C580 PolarHBondContact O-N 2.76Å; C577-C580 VanDerWaalsContact SG-SG 3.69Å; C577-C581 PolarHBondContact O-N 2.87Å; C577-C581 PolarHBondContact O-SG 3.34Å; C577-C581 VanDerWaalsContact O-SG 3.34Å; C577-C603 VanDerWaalsContact SG-SG 3.66Å; C577-H605 PolarHBondContact SG-ND1 3.47Å; C577-H605 VanDerWaalsContact SG-ND1 3.37Å
578	P	58.1	Low	61.4	Low	107 Å²	107	63 Å²	63	70%	0.695	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-57.3	-37.7	178	-24.6	33.9	0	0	0	112.7	Q576 C580 C581	Q576-P578 WeakPolarHBondContact O-CD 3.22Å; P578-C580 PolarHBondContact O-N 2.89Å; P578-C581 PolarHBondContact O-N 2.95Å
579	D	59.1	Low	60	Low	96 Å²	96	67 Å²	67	51%	0.513	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-73.5	-9.8	178.8	-47.5	-45.4	0	0	0	113.6	C577 K599 H605	C577-D579 PolarHBondContact O-N 3.25Å; D579-K599 PolarHBondContact O-NZ 3.3Å; D579-H605 IonicContact OD2-CE1 3.21Å; D579-H605 PolarHBondContact OD2-CE1 3.13Å; D579-H605 VanDerWaalsContact OD2-CE1 3.27Å; D579-H605 IonicContact OD2-CG 3.26Å; D579-H605 IonicContact OD2-ND1 2.66Å; D579-H605 PolarHBondContact OD2-ND1 2.99Å
580	C	59.4	Low	58.7	Low	9 Å²	9	71 Å²	71	6%	0.061	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-117.3	9.3	-179.9	-59.6	0	0	0	0	113	C577 P578 S582 K599 C603	C577-C580 HydrophobicContact CB-CB 3.92Å; C577-C580 CarbonylContact O-C 3.43Å; C577-C580 PolarHBondContact O-N 2.76Å; C577-C580 VanDerWaalsContact SG-SG 3.69Å; P578-C580 PolarHBondContact O-N 2.89Å; C580-S582 PolarHBondContact O-N 3.43Å; C580-S582 VanDerWaalsContact O-N 3.07Å; C580-K599 HydrophobicContact CB-CD 4.09Å; C580-K599 HydrophobicContact CB-CG 4.43Å; C580-K599 VanDerWaalsContact SG-CE 3.55Å; C580-C603 PolarHBondContact SG-SG 3.25Å
581	C	58.7	Low	57.9	Low	54 Å²	54	71.8 Å²	71.8	37%	0.365	42%	0.418	S	S	.	.			trans	-65.9	108.5	174.4	-71.2	0	0	0	0	109.6	C577 P578 G583 R588	C577-C581 PolarHBondContact O-N 2.87Å; C577-C581 PolarHBondContact O-SG 3.34Å; C577-C581 VanDerWaalsContact O-SG 3.34Å; P578-C581 PolarHBondContact O-N 2.95Å; C581-G583 PolarHBondContact O-N 3.26Å; C581-R588 PolarHBondContact SG-NH2 3.49Å
582	S	51.8	Low	57.2	Low	42 Å²	42	73.8 Å²	73.8	29%	0.294	43%	0.43	S	S	.	.			trans	-71.8	115.3	164	51.6	0	0	0	0	107	C580 Q584	C580-S582 PolarHBondContact O-N 3.43Å; C580-S582 VanDerWaalsContact O-N 3.07Å; S582-Q584 PolarHBondContact O-N 3.43Å
583	G	51.6	Low	56.9	Low	85 Å²	85	72.9 Å²	72.9	88%	0.876	43%	0.426	S	S	*	.			trans	-67.7	43.3	178.4	0	0	0	0	0	114.3	C581	C581-G583 PolarHBondContact O-N 3.26Å
584	Q	53.1	Low	57.4	Low	112 Å²	112	68 Å²	68	52%	0.523	41%	0.409	S	S	.	.			trans	-80.1	120.3	173.3	-69.8	-164	-14.9	0	0	109.4	S582 G586 A587	S582-Q584 PolarHBondContact O-N 3.43Å; Q584-G586 PolarHBondContact O-N 2.92Å; Q584-A587 VanDerWaalsContact O-CB 3.3Å; Q584-A587 WeakPolarHBondContact O-CB 3.33Å; Q584-A587 PolarHBondContact O-N 2.92Å
585	D	43.4	Very low	58.1	Low	172 Å²	172	67.2 Å²	67.2	92%	0.92	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	129.3	171.8	-73.6	-36.7	0	0	0	110
586	G	50.4	Low	58.8	Low	62 Å²	62	67 Å²	67	64%	0.639	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.4	-6.5	-177.7	0	0	0	0	0	115.7	Q584 R588	Q584-G586 PolarHBondContact O-N 2.92Å; G586-R588 PolarHBondContact O-N 3.15Å
587	A	54.3	Low	59.7	Low	4 Å²	4	65 Å²	65	3%	0.033	40%	0.398	C	S	.	.	S	Bend	trans	-67.4	-12.7	175.4	0	0	0	0	0	113.9	Q584 Q593 Q594 I595	Q584-A587 VanDerWaalsContact O-CB 3.3Å; Q584-A587 WeakPolarHBondContact O-CB 3.33Å; Q584-A587 PolarHBondContact O-N 2.92Å; A587-Q593 CarbonylContact O-C 3.59Å; A587-Q593 WeakPolarHBondContact O-CA 3.37Å; A587-Q594 PolarHBondContact O-N 3.2Å; A587-I595 HydrophobicContact CB-CD1 4.37Å
588	R	55.5	Low	60.6	Low	139 Å²	139	65 Å²	65	53%	0.525	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	125.4	-179.7	-62.5	-177.4	-178.6	-174.8	-0.5	110.9	C581 G586 V592	C581-R588 PolarHBondContact SG-NH2 3.49Å; G586-R588 PolarHBondContact O-N 3.15Å; R588-V592 VanDerWaalsContact CA-O 3.29Å; R588-V592 WeakPolarHBondContact CA-O 3.31Å
589	V	52.8	Low	61.6	Low	84 Å²	84	63.6 Å²	63.6	51%	0.509	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	123.6	165.5	-179	0	0	0	0	106.5	G591 V592 Q594	V589-G591 PolarHBondContact O-N 3.48Å; V589-V592 PolarHBondContact N-O 2.98Å; V589-V592 PolarHBondContact O-N 2.78Å; V589-V592 VanDerWaalsContact O-N 3.13Å; V589-Q594 HydrophobicContact CB-CG 4.34Å; V589-Q594 HydrophobicContact CG2-CG 4.22Å
590	N	47.3	Very low	62.6	Low	162 Å²	162	59.4 Å²	59.4	87%	0.866	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	35.5	-175.4	-56.2	-16.2	0	0	0	113.8	V592	N590-V592 PolarHBondContact O-N 3.44Å
591	G	54	Low	63.7	Low	53 Å²	53	59 Å²	59	55%	0.546	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	81	-12.1	-179.5	0	0	0	0	0	115.4	V589	V589-G591 PolarHBondContact O-N 3.48Å
592	V	57.2	Low	64.8	Low	42 Å²	42	58 Å²	58	26%	0.255	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	124.2	178.8	175.7	0	0	0	0	110.8	K572 R588 V589 N590 Q594	K572-V592 HydrophobicContact CD-CG1 4.43Å; R588-V592 VanDerWaalsContact CA-O 3.29Å; R588-V592 WeakPolarHBondContact CA-O 3.31Å; V589-V592 PolarHBondContact N-O 2.98Å; V589-V592 PolarHBondContact O-N 2.78Å; V589-V592 VanDerWaalsContact O-N 3.13Å; N590-V592 PolarHBondContact O-N 3.44Å; V592-Q594 PolarHBondContact O-N 3.49Å
593	Q	62.5	Low	66	Low	19 Å²	19	56.6 Å²	56.6	9%	0.089	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	115.4	173	-172.4	75.6	20.2	0	0	110.6	Q576 A587 I595	Q576-Q593 HydrophobicContact CG-CB 3.74Å; A587-Q593 CarbonylContact O-C 3.59Å; A587-Q593 WeakPolarHBondContact O-CA 3.37Å; Q593-I595 WeakPolarHBondContact CG-O 3.44Å; Q593-I595 PolarHBondContact NE2-O 3.4Å
594	Q	74.2	Confident	66.8	Low	49 Å²	49	55.6 Å²	55.6	23%	0.229	31%	0.313	C	S	.	.			trans	-94.6	-12.4	178.4	-67.1	-64.1	-20.1	0	0	112.8	H541 W542 A587 V589 V592	H541-Q594 CarbonylContact C-O 3.56Å; H541-Q594 WeakPolarHBondContact CA-O 3.39Å; W542-Q594 WeakPolarHBondContact CB-O 3.45Å; W542-Q594 PolarHBondContact N-O 2.78Å; A587-Q594 PolarHBondContact O-N 3.2Å; V589-Q594 HydrophobicContact CB-CG 4.34Å; V589-Q594 HydrophobicContact CG2-CG 4.22Å; V592-Q594 PolarHBondContact O-N 3.49Å
595	I	79.5	Confident	67.1	Low	40 Å²	40	53.5 Å²	53.5	21%	0.205	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	120.3	-177.4	-57.3	177.5	0	0	0	109.5	M540 A587 Q593	M540-I595 WeakPolarHBondContact O-CA 3.22Å; A587-I595 HydrophobicContact CB-CD1 4.37Å; Q593-I595 WeakPolarHBondContact CG-O 3.44Å; Q593-I595 PolarHBondContact NE2-O 3.4Å
596	V	82.3	Confident	67.7	Low	5 Å²	5	45.8 Å²	45.8	3%	0.03	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	130.3	169.4	-175	0	0	0	0	107.6	W521 G539 M540 W542 F545 N600 V601	W521-V596 WeakPolarHBondContact CH2-O 3.48Å; G539-V596 CarbonylContact C-O 3.39Å; G539-V596 WeakPolarHBondContact CA-O 3.33Å; M540-V596 PolarHBondContact N-O 3.47Å; M540-V596 PolarHBondContact O-N 2.84Å; W542-V596 HydrophobicContact CE3-CG2 3.44Å; W542-V596 VanDerWaalsContact CE3-CG2 3.44Å; W542-V596 HydrophobicContact CZ3-CG2 3.82Å; F545-V596 HydrophobicContact CB-CB 4.47Å; F545-V596 HydrophobicContact CB-CG2 4.07Å; F545-V596 HydrophobicContact CD1-CG2 4.07Å; F545-V596 HydrophobicContact CD2-CG1 4.2Å; F545-V596 HydrophobicContact CE2-CG1 4.37Å; F545-V596 HydrophobicContact CG-CB 4.34Å; F545-V596 HydrophobicContact CG-CG1 4.36Å; F545-V596 HydrophobicContact CG-CG2 3.99Å; V596-N600 HydrophobicContact CG1-CB 4.3Å; V596-V601 HydrophobicContact CG1-CG2 3.81Å
597	T	83.1	Confident	67.8	Low	17 Å²	17	49.6 Å²	49.6	10%	0.104	26%	0.257	C	S	.	.			trans	-98.1	158.6	169.8	75.9	0	0	0	0	110.7	W521 K599 N600 V601	W521-T597 VanDerWaalsContact CH2-C 3.49Å; T597-K599 PolarHBondContact O-N 3.2Å; T597-K599 PolarHBondContact OG1-N 3.36Å; T597-N600 WeakPolarHBondContact CB-OD1 3.47Å; T597-N600 PolarHBondContact N-OD1 3.46Å; T597-N600 WeakPolarHBondContact O-CB 3.28Å; T597-N600 PolarHBondContact O-N 3.48Å; T597-N600 PolarHBondContact OG1-N 3.4Å; T597-N600 PolarHBondContact OG1-OD1 2.87Å; T597-V601 PolarHBondContact O-N 3.32Å
598	F	84.9	Confident	67.4	Low	11 Å²	11	51.6 Å²	51.6	5%	0.048	26%	0.264	C	S	.	.	H	α-helix	trans	-58.4	-33.6	175.8	-176.6	-108.8	0	0	0	112.3	S465 K467 A517 W521 W535 N600 V601 L602	S465-F598 WeakPolarHBondContact O-CD1 3.4Å; S465-F598 VanDerWaalsContact O-CE1 3.27Å; S465-F598 WeakPolarHBondContact O-CE1 3.44Å; K467-F598 HydrophobicContact CB-CE1 4.44Å; A517-F598 HydrophobicContact CB-CE2 3.81Å; A517-F598 HydrophobicContact CB-CZ 4.16Å; W521-F598 HydrophobicContact CB-CD2 3.77Å; W521-F598 HydrophobicContact CB-CE2 3.96Å; W521-F598 HydrophobicContact CD2-CB 3.84Å; W521-F598 AromaticContact CD2-CD2 3.58Å; W521-F598 HydrophobicContact CD2-CD2 3.58Å; W521-F598 HydrophobicContact CD2-CG 4.12Å; W521-F598 HydrophobicContact CE3-CB 4Å; W521-F598 AromaticContact CE3-CD2 3.63Å; W521-F598 HydrophobicContact CE3-CD2 3.63Å; W521-F598 HydrophobicContact CE3-CG 4.3Å; W521-F598 HydrophobicContact CG-CB 4.44Å; W521-F598 AromaticContact CG-CD2 3.64Å; W521-F598 HydrophobicContact CG-CD2 3.64Å; W521-F598 HydrophobicContact CG-CE2 4.31Å; W521-F598 HydrophobicContact CG-CG 4.33Å; W521-F598 HydrophobicContact CH2-CB 4.22Å; W521-F598 VanDerWaalsContact CH2-N 3.27Å; W521-F598 HydrophobicContact CZ2-CB 4.03Å; W521-F598 HydrophobicContact CZ3-CB 4.18Å; W521-F598 HydrophobicContact CZ3-CD2 4.48Å; W535-F598 AromaticContact CH2-CD1 3.89Å; W535-F598 HydrophobicContact CH2-CD1 3.89Å; W535-F598 AromaticContact CH2-CD2 3.8Å; W535-F598 HydrophobicContact CH2-CD2 3.8Å; W535-F598 AromaticContact CH2-CE1 3.98Å; W535-F598 HydrophobicContact CH2-CE1 3.98Å; W535-F598 AromaticContact CH2-CE2 3.87Å; W535-F598 HydrophobicContact CH2-CE2 3.87Å; W535-F598 AromaticContact CH2-CG 3.81Å; W535-F598 HydrophobicContact CH2-CG 3.81Å; W535-F598 AromaticContact CH2-CZ 3.95Å; W535-F598 HydrophobicContact CH2-CZ 3.95Å; W535-F598 HydrophobicContact CZ2-CB 4.13Å; W535-F598 AromaticContact CZ2-CD1 3.73Å; W535-F598 HydrophobicContact CZ2-CD1 3.73Å; W535-F598 HydrophobicContact CZ2-CD2 4.22Å; W535-F598 HydrophobicContact CZ2-CE1 4.18Å; W535-F598 AromaticContact CZ2-CG 3.75Å; W535-F598 HydrophobicContact CZ2-CG 3.75Å; F598-N600 VanDerWaalsContact C-N 3.33Å; F598-N600 PolarHBondContact O-N 3.01Å; F598-V601 WeakPolarHBondContact O-CB 3.37Å; F598-V601 PolarHBondContact O-N 2.76Å; F598-L602 HydrophobicContact CD1-CD1 4.43Å; F598-L602 HydrophobicContact CE1-CD1 3.57Å; F598-L602 HydrophobicContact CE2-CD1 4.27Å; F598-L602 HydrophobicContact CZ-CD1 3.48Å; F598-L602 VanDerWaalsContact CZ-CD1 3.48Å; F598-L602 HydrophobicContact CZ-CG 4.27Å; F598-L602 PolarHBondContact O-N 3.01Å
599	K	79.2	Confident	66.8	Low	79 Å²	79	50.6 Å²	50.6	34%	0.343	27%	0.266	S	S	.	.	H	α-helix	trans	-60.4	-41	173.4	-169.2	-174	-177.7	-170	0	111.7	N463 D579 C580 T597 V601 L602 C603	N463-K599 PolarHBondContact ND2-NZ 2.96Å; D579-K599 PolarHBondContact O-NZ 3.3Å; C580-K599 HydrophobicContact CB-CD 4.09Å; C580-K599 HydrophobicContact CB-CG 4.43Å; C580-K599 VanDerWaalsContact SG-CE 3.55Å; T597-K599 PolarHBondContact O-N 3.2Å; T597-K599 PolarHBondContact OG1-N 3.36Å; K599-V601 VanDerWaalsContact C-N 3.31Å; K599-V601 PolarHBondContact O-N 3.28Å; K599-L602 PolarHBondContact O-N 3.11Å; K599-C603 WeakPolarHBondContact O-CB 3.15Å; K599-C603 PolarHBondContact O-N 3.41Å
600	N	79	Confident	66.2	Low	8 Å²	8	47.4 Å²	47.4	4%	0.043	25%	0.247	C	C	.	.	H	α-helix	trans	-61.9	-40.3	178.3	-61.3	108.9	0	0	0	111.4	L575 V596 T597 F598 L602 C603	L575-N600 HydrophobicContact CD2-CB 4.04Å; L575-N600 WeakPolarHBondContact CD2-O 3.48Å; L575-N600 PolarHBondContact O-ND2 3.37Å; V596-N600 HydrophobicContact CG1-CB 4.3Å; T597-N600 WeakPolarHBondContact CB-OD1 3.47Å; T597-N600 PolarHBondContact N-OD1 3.46Å; T597-N600 WeakPolarHBondContact O-CB 3.28Å; T597-N600 PolarHBondContact O-N 3.48Å; T597-N600 PolarHBondContact OG1-N 3.4Å; T597-N600 PolarHBondContact OG1-OD1 2.87Å; F598-N600 VanDerWaalsContact C-N 3.33Å; F598-N600 PolarHBondContact O-N 3.01Å; N600-L602 VanDerWaalsContact C-N 3.3Å; N600-L602 PolarHBondContact O-N 2.88Å; N600-C603 WeakPolarHBondContact O-CB 3.3Å; N600-C603 PolarHBondContact O-N 3.29Å
601	V	83.3	Confident	66.4	Low	1 Å²	1	46 Å²	46	1%	0.006	24%	0.239	C	C	.	.	H	α-helix	trans	-62.2	-37.2	-179.3	176.9	0	0	0	0	112.2	W521 F545 V596 T597 F598 K599 S618 W620	W521-V601 HydrophobicContact CE3-CG2 4.32Å; W521-V601 HydrophobicContact CZ3-CG2 3.86Å; F545-V601 HydrophobicContact CE2-CG2 3.77Å; F545-V601 HydrophobicContact CZ-CG2 4.34Å; V596-V601 HydrophobicContact CG1-CG2 3.81Å; T597-V601 PolarHBondContact O-N 3.32Å; F598-V601 WeakPolarHBondContact O-CB 3.37Å; F598-V601 PolarHBondContact O-N 2.76Å; K599-V601 VanDerWaalsContact C-N 3.31Å; K599-V601 PolarHBondContact O-N 3.28Å; V601-S618 WeakPolarHBondContact O-CB 3.5Å; V601-W620 HydrophobicContact CG1-CB 3.75Å; V601-W620 HydrophobicContact CG1-CD2 4.27Å; V601-W620 HydrophobicContact CG1-CE3 4.06Å; V601-W620 HydrophobicContact CG1-CG 4.16Å; V601-W620 WeakPolarHBondContact O-CB 3.37Å; V601-W620 PolarHBondContact O-N 2.98Å
602	L	81.7	Confident	65.6	Low	33 Å²	33	49.5 Å²	49.5	17%	0.173	26%	0.255	C	S	.	.	H	α-helix	trans	-96.6	-2.6	179.9	-68.4	-178.6	0	0	0	114.3	A517 F598 K599 N600 P604 S618 W620	A517-L602 HydrophobicContact CB-CD1 4.43Å; A517-L602 HydrophobicContact CB-CD2 3.68Å; A517-L602 HydrophobicContact CB-CG 4.17Å; F598-L602 HydrophobicContact CD1-CD1 4.43Å; F598-L602 HydrophobicContact CE1-CD1 3.57Å; F598-L602 HydrophobicContact CE2-CD1 4.27Å; F598-L602 HydrophobicContact CZ-CD1 3.48Å; F598-L602 VanDerWaalsContact CZ-CD1 3.48Å; F598-L602 HydrophobicContact CZ-CG 4.27Å; F598-L602 PolarHBondContact O-N 3.01Å; K599-L602 PolarHBondContact O-N 3.11Å; N600-L602 VanDerWaalsContact C-N 3.3Å; N600-L602 PolarHBondContact O-N 2.88Å; L602-P604 WeakPolarHBondContact O-CD 3.47Å; L602-S618 VanDerWaalsContact C-CB 3.4Å; L602-S618 WeakPolarHBondContact O-CB 3.41Å; L602-W620 HydrophobicContact CD2-CB 4.35Å
603	C	77.1	Confident	65.1	Low	12 Å²	12	51.2 Å²	51.2	8%	0.081	27%	0.266	C	S	.	.			trans	-63.2	120.8	-175.7	-176.5	0	0	0	0	111.1	C577 C580 K599 N600 H605 S618	C577-C603 VanDerWaalsContact SG-SG 3.66Å; C580-C603 PolarHBondContact SG-SG 3.25Å; K599-C603 WeakPolarHBondContact O-CB 3.15Å; K599-C603 PolarHBondContact O-N 3.41Å; N600-C603 WeakPolarHBondContact O-CB 3.3Å; N600-C603 PolarHBondContact O-N 3.29Å; C603-H605 PolarHBondContact O-N 3.42Å; C603-H605 VanDerWaalsContact SG-CB 3.52Å; C603-H605 VanDerWaalsContact SG-CG 3.53Å; C603-H605 PolarHBondContact SG-N 3.01Å; C603-S618 VanDerWaalsContact O-CA 3.24Å; C603-S618 WeakPolarHBondContact O-CA 3.38Å; C603-S618 WeakPolarHBondContact O-CB 3.42Å
604	P	68.9	Low	64.8	Low	63 Å²	63	54.1 Å²	54.1	41%	0.409	28%	0.282	S	S	.	.			trans	-81.1	2	179.7	34	-35	0	0	0	113.2	L602 L606 R616 F617	L602-P604 WeakPolarHBondContact O-CD 3.47Å; P604-L606 PolarHBondContact O-N 3.31Å; P604-L606 VanDerWaalsContact O-N 3.11Å; P604-R616 WeakPolarHBondContact O-CB 3.41Å; P604-F617 CarbonylContact C-O 3.59Å; P604-F617 VanDerWaalsContact CA-O 3.27Å; P604-F617 WeakPolarHBondContact CA-O 3.49Å; P604-F617 PolarHBondContact O-N 3.5Å
605	H	59.4	Low	64.3	Low	68 Å²	68	53.7 Å²	53.7	32%	0.315	28%	0.282	S	S	.	.			trans	-76.9	13.5	-174.6	-59.5	177.7	0	0	0	113.6	C577 D579 C603 R607	C577-H605 PolarHBondContact SG-ND1 3.47Å; C577-H605 VanDerWaalsContact SG-ND1 3.37Å; D579-H605 IonicContact OD2-CE1 3.21Å; D579-H605 PolarHBondContact OD2-CE1 3.13Å; D579-H605 VanDerWaalsContact OD2-CE1 3.27Å; D579-H605 IonicContact OD2-CG 3.26Å; D579-H605 IonicContact OD2-ND1 2.66Å; D579-H605 PolarHBondContact OD2-ND1 2.99Å; C603-H605 PolarHBondContact O-N 3.42Å; C603-H605 VanDerWaalsContact SG-CB 3.52Å; C603-H605 VanDerWaalsContact SG-CG 3.53Å; C603-H605 PolarHBondContact SG-N 3.01Å; H605-R607 VanDerWaalsContact C-N 3.27Å; H605-R607 PolarHBondContact O-N 2.94Å
606	L	55.4	Low	63.8	Low	10 Å²	10	57.9 Å²	57.9	5%	0.052	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	99.3	157	-76.4	140.2	0	0	0	107.6	K574 P604 F617 V619	K574-L606 HydrophobicContact CB-CD2 3.59Å; K574-L606 HydrophobicContact CB-CG 4.46Å; K574-L606 HydrophobicContact CD-CD2 3.37Å; K574-L606 HydrophobicContact CG-CD2 3.32Å; P604-L606 PolarHBondContact O-N 3.31Å; P604-L606 VanDerWaalsContact O-N 3.11Å; L606-F617 HydrophobicContact CB-CD1 4.48Å; L606-F617 HydrophobicContact CB-CE1 4.36Å; L606-F617 VanDerWaalsContact CB-O 3.27Å; L606-F617 WeakPolarHBondContact CB-O 3.38Å; L606-F617 HydrophobicContact CD1-CD2 4.22Å; L606-F617 HydrophobicContact CD1-CE2 4.12Å; L606-F617 HydrophobicContact CD1-CZ 4.5Å; L606-F617 WeakPolarHBondContact CD1-O 3.47Å; L606-V619 HydrophobicContact CD1-CB 4.46Å; L606-V619 HydrophobicContact CD1-CG2 3.76Å
607	R	52.2	Low	63.4	Low	143 Å²	143	57.8 Å²	57.8	54%	0.54	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	117.4	175.5	-63.1	-174.2	-169.1	-168.3	7.1	107.5	H605 E609	H605-R607 VanDerWaalsContact C-N 3.27Å; H605-R607 PolarHBondContact O-N 2.94Å; R607-E609 HydrophobicContact CB-CG 4.47Å
608	Y	46.5	Very low	63.2	Low	45 Å²	45	57.3 Å²	57.3	18%	0.176	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	112.8	152.3	-177	-106.5	0	0	0	107.3	C610 V615 V673 T674 V787	Y608-C610 HydrophobicContact CD1-CB 4.08Å; Y608-C610 HydrophobicContact CE1-CB 3.28Å; Y608-C610 HydrophobicContact CE2-CB 4.35Å; Y608-C610 VanDerWaalsContact CZ-CB 3.45Å; Y608-C610 WeakPolarHBondContact OH-CB 3.34Å; Y608-V615 PolarHBondContact N-O 3.38Å; Y608-V615 PolarHBondContact O-N 2.91Å; Y608-V673 WeakPolarHBondContact CB-O 3.43Å; Y608-V673 HydrophobicContact CD1-CG1 3.63Å; Y608-V673 HydrophobicContact CD2-CB 4.44Å; Y608-V673 HydrophobicContact CD2-CG1 3.64Å; Y608-V673 HydrophobicContact CD2-CG2 4.48Å; Y608-V673 HydrophobicContact CE1-CG1 3.45Å; Y608-V673 VanDerWaalsContact CE1-CG1 3.45Å; Y608-V673 HydrophobicContact CE2-CB 4.49Å; Y608-V673 HydrophobicContact CE2-CG1 3.48Å; Y608-V673 VanDerWaalsContact CE2-CG1 3.48Å; Y608-V673 HydrophobicContact CE2-CG2 4.38Å; Y608-V673 HydrophobicContact CG-CG1 3.7Å; Y608-T674 HydrophobicContact CD1-CG2 4.36Å; Y608-V787 WeakPolarHBondContact OH-CG1 3.49Å
609	E	43.4	Very low	63.1	Low	119 Å²	119	56.9 Å²	56.9	56%	0.556	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111	104.2	175.9	-66.8	-175.5	177.3	0	0	107	R607 N614	R607-E609 HydrophobicContact CB-CG 4.47Å; E609-N614 PolarHBondContact OE1-ND2 2.94Å
610	C	40.3	Very low	63.4	Low	17 Å²	17	53.1 Å²	53.1	12%	0.115	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	116.6	171.7	-175.7	0	0	0	0	107.7	Y608 S612 T613	Y608-C610 HydrophobicContact CD1-CB 4.08Å; Y608-C610 HydrophobicContact CE1-CB 3.28Å; Y608-C610 HydrophobicContact CE2-CB 4.35Å; Y608-C610 VanDerWaalsContact CZ-CB 3.45Å; Y608-C610 WeakPolarHBondContact OH-CB 3.34Å; C610-S612 PolarHBondContact O-N 3.1Å; C610-T613 PolarHBondContact N-O 3.38Å; C610-T613 PolarHBondContact O-N 3.02Å; C610-T613 VanDerWaalsContact O-N 3.08Å; C610-T613 PolarHBondContact O-OG1 3.01Å
611	N	49.5	Very low	63.7	Low	132 Å²	132	55.4 Å²	55.4	71%	0.706	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	-127.2	-175.9	-57.1	-30.5	0	0	0	112.5	T613	N611-T613 VanDerWaalsContact C-N 3.3Å; N611-T613 PolarHBondContact O-N 3.4Å
612	S	37.9	Very low	63.7	Low	126 Å²	126	55.3 Å²	55.3	88%	0.881	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-0.9	179.2	56.1	0	0	0	0	114.4	C610	C610-S612 PolarHBondContact O-N 3.1Å
613	T	47.4	Very low	64	Low	78 Å²	78	53.8 Å²	53.8	48%	0.479	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	109.2	-177.7	15.4	0	0	0	0	111.3	C610 N611	C610-T613 PolarHBondContact N-O 3.38Å; C610-T613 PolarHBondContact O-N 3.02Å; C610-T613 VanDerWaalsContact O-N 3.08Å; C610-T613 PolarHBondContact O-OG1 3.01Å; N611-T613 VanDerWaalsContact C-N 3.3Å; N611-T613 PolarHBondContact O-N 3.4Å
614	N	55.5	Low	64.5	Low	81 Å²	81	54.8 Å²	54.8	43%	0.433	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	99.5	169.6	-164.4	-57.4	0	0	0	108.3	E609 R616	E609-N614 PolarHBondContact OE1-ND2 2.94Å; N614-R616 PolarHBondContact OD1-NE 3.38Å
615	V	63.1	Low	65.3	Low	39 Å²	39	53.1 Å²	53.1	24%	0.236	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	127.6	179.5	-173	0	0	0	0	109.3	Y608 F617 T674	Y608-V615 PolarHBondContact N-O 3.38Å; Y608-V615 PolarHBondContact O-N 2.91Å; V615-F617 HydrophobicContact CG1-CD1 4.32Å; V615-T674 HydrophobicContact CG2-CG2 4.34Å
616	R	69.4	Low	66.7	Low	128 Å²	128	49.9 Å²	49.9	48%	0.483	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	123.5	178.6	-66.3	-174.9	-171.8	-172.1	0.2	110.3	P604 N614	P604-R616 WeakPolarHBondContact O-CB 3.41Å; N614-R616 PolarHBondContact OD1-NE 3.38Å
617	F	73.6	Confident	68.4	Low	4 Å²	4	49.9 Å²	49.9	2%	0.018	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	168.4	175.7	69.1	-79.1	0	0	0	110.1	P604 L606 V615 R621 F672	P604-F617 CarbonylContact C-O 3.59Å; P604-F617 VanDerWaalsContact CA-O 3.27Å; P604-F617 WeakPolarHBondContact CA-O 3.49Å; P604-F617 PolarHBondContact O-N 3.5Å; L606-F617 HydrophobicContact CB-CD1 4.48Å; L606-F617 HydrophobicContact CB-CE1 4.36Å; L606-F617 VanDerWaalsContact CB-O 3.27Å; L606-F617 WeakPolarHBondContact CB-O 3.38Å; L606-F617 HydrophobicContact CD1-CD2 4.22Å; L606-F617 HydrophobicContact CD1-CE2 4.12Å; L606-F617 HydrophobicContact CD1-CZ 4.5Å; L606-F617 WeakPolarHBondContact CD1-O 3.47Å; V615-F617 HydrophobicContact CG1-CD1 4.32Å; F617-R621 HydrophobicContact CB-CG 4.34Å; F617-F672 HydrophobicContact CE2-CB 4.14Å; F617-F672 HydrophobicContact CE2-CD1 4.13Å; F617-F672 HydrophobicContact CE2-CG 4.31Å; F617-F672 HydrophobicContact CZ-CB 3.84Å; F617-F672 HydrophobicContact CZ-CG 4.48Å; F617-F672 WeakPolarHBondContact CZ-O 3.45Å
618	S	79.9	Confident	70	Confident	7 Å²	7	46.4 Å²	46.4	5%	0.049	24%	0.24	C	C	.	.			trans	-100.5	158.8	176.8	70.2	0	0	0	0	111.5	V601 L602 C603 W620 R621 G622	V601-S618 WeakPolarHBondContact O-CB 3.5Å; L602-S618 VanDerWaalsContact C-CB 3.4Å; L602-S618 WeakPolarHBondContact O-CB 3.41Å; C603-S618 VanDerWaalsContact O-CA 3.24Å; C603-S618 WeakPolarHBondContact O-CA 3.38Å; C603-S618 WeakPolarHBondContact O-CB 3.42Å; S618-W620 PolarHBondContact O-N 2.88Å; S618-R621 WeakPolarHBondContact O-CB 3.5Å; S618-R621 PolarHBondContact O-N 3.4Å; S618-R621 WeakPolarHBondContact OG-CB 3.48Å; S618-R621 PolarHBondContact OG-N 2.88Å; S618-G622 PolarHBondContact O-N 3.33Å
619	V	81.9	Confident	72.2	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.012	23%	0.232	C	C	.	.	H	α-helix	trans	-55	-42.1	175.8	171.9	0	0	0	0	110.1	F549 L571 K574 L575 L606 R621 G622 M623	F549-V619 HydrophobicContact CE2-CG1 3.98Å; F549-V619 HydrophobicContact CZ-CG1 3.97Å; L571-V619 HydrophobicContact CD2-CG1 3.66Å; L571-V619 HydrophobicContact CD2-CG2 4.1Å; K574-V619 HydrophobicContact CB-CG2 4.22Å; L575-V619 HydrophobicContact CD2-CB 4.11Å; L575-V619 HydrophobicContact CD2-CG2 3.76Å; L575-V619 HydrophobicContact CG-CG2 3.97Å; L606-V619 HydrophobicContact CD1-CB 4.46Å; L606-V619 HydrophobicContact CD1-CG2 3.76Å; V619-R621 PolarHBondContact O-N 3.08Å; V619-G622 PolarHBondContact O-N 3.4Å; V619-M623 PolarHBondContact O-N 3.44Å
620	W	87	Confident	74.5	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-64.4	-40.6	176.8	-165.5	-104.7	0	0	0	113.3	S513 T516 A517 F520 F549 H552 V601 L602 S618 G622 M623 L624	S513-W620 PolarHBondContact O-NE1 3.34Å; T516-W620 PolarHBondContact OG1-NE1 3.02Å; A517-W620 HydrophobicContact CB-CD2 4.15Å; A517-W620 HydrophobicContact CB-CG 3.94Å; A517-W620 VanDerWaalsContact N-NE1 3.2Å; F520-W620 HydrophobicContact CB-CH2 3.5Å; F520-W620 VanDerWaalsContact CB-CH2 3.5Å; F520-W620 HydrophobicContact CB-CZ2 3.78Å; F520-W620 HydrophobicContact CB-CZ3 4.24Å; F520-W620 HydrophobicContact CD1-CE3 4.46Å; F520-W620 AromaticContact CD1-CH2 3.88Å; F520-W620 HydrophobicContact CD1-CH2 3.88Å; F520-W620 AromaticContact CD1-CZ3 3.73Å; F520-W620 HydrophobicContact CD1-CZ3 3.73Å; F520-W620 AromaticContact CD2-CH2 3.45Å; F520-W620 HydrophobicContact CD2-CH2 3.45Å; F520-W620 VanDerWaalsContact CD2-CH2 3.45Å; F520-W620 AromaticContact CD2-CZ3 3.82Å; F520-W620 HydrophobicContact CD2-CZ3 3.82Å; F520-W620 HydrophobicContact CE1-CH2 4.48Å; F520-W620 AromaticContact CE1-CZ3 3.98Å; F520-W620 HydrophobicContact CE1-CZ3 3.98Å; F520-W620 HydrophobicContact CE2-CH2 4.11Å; F520-W620 HydrophobicContact CE2-CZ3 4.04Å; F520-W620 AromaticContact CG-CH2 3.31Å; F520-W620 HydrophobicContact CG-CH2 3.31Å; F520-W620 HydrophobicContact CG-CZ2 4.1Å; F520-W620 AromaticContact CG-CZ3 3.64Å; F520-W620 HydrophobicContact CG-CZ3 3.64Å; F520-W620 HydrophobicContact CZ-CZ3 4.12Å; F549-W620 HydrophobicContact CD2-CZ3 4.31Å; F549-W620 HydrophobicContact CE2-CE3 4.3Å; F549-W620 HydrophobicContact CE2-CZ3 4.42Å; H552-W620 AromaticContact CD2-CH2 3.65Å; H552-W620 AromaticContact CE1-CH2 3.83Å; H552-W620 AromaticContact CG-CH2 3.97Å; H552-W620 AromaticContact NE2-CH2 3.56Å; H552-W620 AromaticContact NE2-CZ2 3.81Å; V601-W620 HydrophobicContact CG1-CB 3.75Å; V601-W620 HydrophobicContact CG1-CD2 4.27Å; V601-W620 HydrophobicContact CG1-CE3 4.06Å; V601-W620 HydrophobicContact CG1-CG 4.16Å; V601-W620 WeakPolarHBondContact O-CB 3.37Å; V601-W620 PolarHBondContact O-N 2.98Å; L602-W620 HydrophobicContact CD2-CB 4.35Å; S618-W620 PolarHBondContact O-N 2.88Å; W620-G622 VanDerWaalsContact C-N 3.32Å; W620-G622 PolarHBondContact O-N 3.22Å; W620-M623 WeakPolarHBondContact O-CB 3.36Å; W620-M623 PolarHBondContact O-N 3.48Å; W620-L624 WeakPolarHBondContact O-CG 3.2Å; W620-L624 PolarHBondContact O-N 3.3Å; W620-L624 VanDerWaalsContact O-N 3.08Å
621	R	83.6	Confident	76.7	Confident	55 Å²	55	43.4 Å²	43.4	21%	0.208	23%	0.225	C	C	.	.	H	α-helix	trans	-62	-42.1	174.5	175.8	172.4	168.6	-160.3	-3	111.2	F617 S618 V619 M623 L624 E625	F617-R621 HydrophobicContact CB-CG 4.34Å; S618-R621 WeakPolarHBondContact O-CB 3.5Å; S618-R621 PolarHBondContact O-N 3.4Å; S618-R621 WeakPolarHBondContact OG-CB 3.48Å; S618-R621 PolarHBondContact OG-N 2.88Å; V619-R621 PolarHBondContact O-N 3.08Å; R621-M623 VanDerWaalsContact C-N 3.34Å; R621-M623 PolarHBondContact O-N 3.01Å; R621-L624 PolarHBondContact O-N 2.91Å; R621-E625 IonicContact CZ-OE1 3.44Å; R621-E625 IonicContact NE-OE1 2.78Å; R621-E625 PolarHBondContact NE-OE1 3.43Å; R621-E625 IonicContact NH2-OE1 3.69Å; R621-E625 PolarHBondContact NH2-OE1 3.13Å; R621-E625 WeakPolarHBondContact O-CG 3.32Å; R621-E625 PolarHBondContact O-N 2.84Å
622	G	84.4	Confident	78.5	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-58.6	-45.2	175	0	0	0	0	0	112.1	S618 V619 W620 L624 E625 L626 F672 G676	S618-G622 PolarHBondContact O-N 3.33Å; V619-G622 PolarHBondContact O-N 3.4Å; W620-G622 VanDerWaalsContact C-N 3.32Å; W620-G622 PolarHBondContact O-N 3.22Å; G622-L624 VanDerWaalsContact C-N 3.35Å; G622-L624 PolarHBondContact O-N 3.26Å; G622-E625 PolarHBondContact O-N 3.16Å; G622-L626 WeakPolarHBondContact O-CB 3.41Å; G622-L626 PolarHBondContact O-N 2.61Å; G622-F672 VanDerWaalsContact CA-CE1 3.48Å; G622-F672 WeakPolarHBondContact O-CE1 3.34Å; G622-G676 WeakPolarHBondContact O-CA 3.43Å
623	M	87.7	Confident	80.8	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-55.7	-47.8	174.1	177.6	63.5	102.6	0	0	111.8	F549 F553 V619 W620 R621 E625 L626 L627	F549-M623 HydrophobicContact CD1-CE 3.33Å; F549-M623 HydrophobicContact CD2-CE 3.92Å; F549-M623 HydrophobicContact CE1-CE 3.09Å; F549-M623 HydrophobicContact CE1-SD 4.29Å; F549-M623 HydrophobicContact CE2-CB 4.17Å; F549-M623 HydrophobicContact CE2-CE 3.68Å; F549-M623 HydrophobicContact CE2-CG 4.4Å; F549-M623 HydrophobicContact CG-CE 3.77Å; F549-M623 HydrophobicContact CZ-CB 3.96Å; F549-M623 HydrophobicContact CZ-CE 3.29Å; F549-M623 HydrophobicContact CZ-CG 4.27Å; F549-M623 HydrophobicContact CZ-SD 4.2Å; F553-M623 HydrophobicContact CB-CE 3.61Å; F553-M623 HydrophobicContact CB-SD 4.14Å; F553-M623 HydrophobicContact CD2-CE 4.39Å; F553-M623 HydrophobicContact CD2-SD 3.88Å; F553-M623 HydrophobicContact CG-CE 4.43Å; F553-M623 HydrophobicContact CG-SD 4.48Å; V619-M623 PolarHBondContact O-N 3.44Å; W620-M623 WeakPolarHBondContact O-CB 3.36Å; W620-M623 PolarHBondContact O-N 3.48Å; R621-M623 VanDerWaalsContact C-N 3.34Å; R621-M623 PolarHBondContact O-N 3.01Å; M623-E625 PolarHBondContact O-N 3.44Å; M623-L626 WeakPolarHBondContact O-CB 3.14Å; M623-L626 PolarHBondContact O-N 2.91Å; M623-L627 HydrophobicContact CG-CD1 4.23Å; M623-L627 HydrophobicContact CG-CG 4.42Å; M623-L627 WeakPolarHBondContact O-CG 3.38Å; M623-L627 PolarHBondContact O-N 3.19Å; M623-L627 HydrophobicContact SD-CG 4.3Å
624	L	87.1	Confident	82.6	Confident	32 Å²	32	41.8 Å²	41.8	17%	0.168	20%	0.196	C	C	.	.	H	α-helix	trans	-65.3	-38.6	-178.9	-64.1	177.4	0	0	0	113	T516 W620 R621 G622 L626 L627 Q628	T516-L624 HydrophobicContact CG2-CD2 4.43Å; W620-L624 WeakPolarHBondContact O-CG 3.2Å; W620-L624 PolarHBondContact O-N 3.3Å; W620-L624 VanDerWaalsContact O-N 3.08Å; R621-L624 PolarHBondContact O-N 2.91Å; G622-L624 VanDerWaalsContact C-N 3.35Å; G622-L624 PolarHBondContact O-N 3.26Å; L624-L626 VanDerWaalsContact C-N 3.33Å; L624-L627 HydrophobicContact CD2-CD1 4.35Å; L624-L627 PolarHBondContact O-N 2.94Å; L624-Q628 WeakPolarHBondContact O-CG 3.44Å; L624-Q628 PolarHBondContact O-N 2.89Å; L624-Q628 VanDerWaalsContact O-N 3.1Å
625	E	86	Confident	84.2	Confident	29 Å²	29	38 Å²	38	14%	0.136	18%	0.176	C	C	.	.	H	α-helix	trans	-64.3	-40.2	174.4	-72.2	169.9	179.3	0	0	110.9	R621 G622 M623 Q628 I629 G675 G676	R621-E625 IonicContact CZ-OE1 3.44Å; R621-E625 IonicContact NE-OE1 2.78Å; R621-E625 PolarHBondContact NE-OE1 3.43Å; R621-E625 IonicContact NH2-OE1 3.69Å; R621-E625 PolarHBondContact NH2-OE1 3.13Å; R621-E625 WeakPolarHBondContact O-CG 3.32Å; R621-E625 PolarHBondContact O-N 2.84Å; G622-E625 PolarHBondContact O-N 3.16Å; M623-E625 PolarHBondContact O-N 3.44Å; E625-Q628 PolarHBondContact O-N 3.48Å; E625-I629 PolarHBondContact O-N 2.84Å; E625-G675 WeakPolarHBondContact OE2-CA 3.44Å; E625-G676 PolarHBondContact OE2-N 2.71Å
626	L	89.9	Confident	85.5	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62	-46.7	173.8	-175.6	70.4	0	0	0	111.7	F553 G622 M623 L624 Q628 I629 F630 F649 L670	F553-L626 HydrophobicContact CD2-CD2 3.98Å; F553-L626 HydrophobicContact CE2-CD2 3.51Å; F553-L626 HydrophobicContact CE2-CG 4.1Å; F553-L626 HydrophobicContact CZ-CD2 4.4Å; G622-L626 WeakPolarHBondContact O-CB 3.41Å; G622-L626 PolarHBondContact O-N 2.61Å; M623-L626 WeakPolarHBondContact O-CB 3.14Å; M623-L626 PolarHBondContact O-N 2.91Å; L624-L626 VanDerWaalsContact C-N 3.33Å; L626-Q628 VanDerWaalsContact C-N 3.28Å; L626-Q628 PolarHBondContact O-N 3.48Å; L626-I629 WeakPolarHBondContact O-CA 3.11Å; L626-I629 WeakPolarHBondContact O-CB 3.21Å; L626-I629 PolarHBondContact O-N 2.9Å; L626-F630 HydrophobicContact CD1-CD2 4.19Å; L626-F630 HydrophobicContact CD1-CE2 3.82Å; L626-F630 HydrophobicContact CG-CD2 4.13Å; L626-F630 HydrophobicContact CG-CE2 4.04Å; L626-F630 WeakPolarHBondContact O-CD2 3.49Å; L626-F630 PolarHBondContact O-N 2.95Å; L626-F649 HydrophobicContact CD2-CZ 4.13Å; L626-L670 HydrophobicContact CD1-CD1 4.12Å; L626-L670 HydrophobicContact CD1-CD2 3.65Å; L626-L670 HydrophobicContact CD1-CG 4.38Å; L626-L670 HydrophobicContact CD2-CD1 3.91Å
627	L	89.3	Confident	86.6	Confident	9 Å²	9	30.7 Å²	30.7	5%	0.047	15%	0.145	C	C	.	.	H	α-helix	trans	-58.8	-39.1	177.6	-69.2	177	0	0	0	112	F553 N556 A557 M623 L624 I629 F630 H631	F553-L627 HydrophobicContact CD2-CD2 4.09Å; N556-L627 HydrophobicContact CB-CD1 3.76Å; N556-L627 HydrophobicContact CB-CD2 3.92Å; N556-L627 HydrophobicContact CB-CG 4.46Å; A557-L627 HydrophobicContact CB-CD2 3.77Å; M623-L627 HydrophobicContact CG-CD1 4.23Å; M623-L627 HydrophobicContact CG-CG 4.42Å; M623-L627 WeakPolarHBondContact O-CG 3.38Å; M623-L627 PolarHBondContact O-N 3.19Å; M623-L627 HydrophobicContact SD-CG 4.3Å; L624-L627 HydrophobicContact CD2-CD1 4.35Å; L624-L627 PolarHBondContact O-N 2.94Å; L627-I629 VanDerWaalsContact C-N 3.29Å; L627-I629 PolarHBondContact O-N 3.35Å; L627-F630 PolarHBondContact O-N 2.72Å; L627-F630 VanDerWaalsContact O-N 3.13Å; L627-H631 PolarHBondContact O-N 3.03Å
628	Q	87.6	Confident	87.6	Confident	70 Å²	70	34.9 Å²	34.9	33%	0.327	16%	0.161	S	C	.	.	H	α-helix	trans	-62.4	-36.4	175	-70	172.5	4.3	0	0	112.5	L624 E625 L626 H631 D632 L704	L624-Q628 WeakPolarHBondContact O-CG 3.44Å; L624-Q628 PolarHBondContact O-N 2.89Å; L624-Q628 VanDerWaalsContact O-N 3.1Å; E625-Q628 PolarHBondContact O-N 3.48Å; L626-Q628 VanDerWaalsContact C-N 3.28Å; L626-Q628 PolarHBondContact O-N 3.48Å; Q628-H631 PolarHBondContact O-N 3.11Å; Q628-D632 PolarHBondContact O-N 3Å; Q628-L704 HydrophobicContact CB-CD2 3.98Å
629	I	90.8	Very high	88.2	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-64	-44.7	172.8	-65	172.1	0	0	0	110	E625 L626 L627 H631 D632 N635 V637 G676 I678 L704 L707	E625-I629 PolarHBondContact O-N 2.84Å; L626-I629 WeakPolarHBondContact O-CA 3.11Å; L626-I629 WeakPolarHBondContact O-CB 3.21Å; L626-I629 PolarHBondContact O-N 2.9Å; L627-I629 VanDerWaalsContact C-N 3.29Å; L627-I629 PolarHBondContact O-N 3.35Å; I629-H631 VanDerWaalsContact C-N 3.29Å; I629-H631 PolarHBondContact O-N 3.23Å; I629-D632 PolarHBondContact O-N 3.32Å; I629-N635 PolarHBondContact O-ND2 2.97Å; I629-V637 HydrophobicContact CG2-CB 4.03Å; I629-V637 HydrophobicContact CG2-CG1 3.91Å; I629-V637 HydrophobicContact CG2-CG2 3.66Å; I629-G676 WeakPolarHBondContact CD1-O 3.35Å; I629-I678 HydrophobicContact CG2-CD1 4.1Å; I629-L704 HydrophobicContact CG1-CB 4.04Å; I629-L704 HydrophobicContact CG1-CD1 4.28Å; I629-L707 HydrophobicContact CD1-CD1 4.25Å; I629-L707 HydrophobicContact CG1-CD1 4.35Å; I629-L707 HydrophobicContact CG2-CD1 3.66Å
630	F	92.1	Very high	88.7	Confident	4 Å²	4	38.3 Å²	38.3	2%	0.018	18%	0.175	C	C	.	.	H	α-helix	trans	-66.8	-27.9	179.3	-85.8	-106.5	0	0	0	113.8	F553 A557 V559 L626 L627 V637 R638 W641 L670	F553-F630 HydrophobicContact CE2-CD2 4.32Å; F553-F630 HydrophobicContact CE2-CE2 4.1Å; F553-F630 HydrophobicContact CE2-CZ 4.23Å; F553-F630 HydrophobicContact CZ-CD1 4.42Å; F553-F630 AromaticContact CZ-CE1 3.88Å; F553-F630 HydrophobicContact CZ-CE1 3.88Å; F553-F630 AromaticContact CZ-CE2 4Å; F553-F630 HydrophobicContact CZ-CE2 4Å; F553-F630 AromaticContact CZ-CZ 3.65Å; F553-F630 HydrophobicContact CZ-CZ 3.65Å; A557-F630 HydrophobicContact CB-CB 3.91Å; A557-F630 HydrophobicContact CB-CD1 3.84Å; A557-F630 HydrophobicContact CB-CG 3.96Å; V559-F630 HydrophobicContact CG1-CD1 3.89Å; V559-F630 HydrophobicContact CG1-CE1 3.99Å; L626-F630 HydrophobicContact CD1-CD2 4.19Å; L626-F630 HydrophobicContact CD1-CE2 3.82Å; L626-F630 HydrophobicContact CG-CD2 4.13Å; L626-F630 HydrophobicContact CG-CE2 4.04Å; L626-F630 WeakPolarHBondContact O-CD2 3.49Å; L626-F630 PolarHBondContact O-N 2.95Å; L627-F630 PolarHBondContact O-N 2.72Å; L627-F630 VanDerWaalsContact O-N 3.13Å; F630-V637 HydrophobicContact CD2-CG1 4.03Å; F630-V637 HydrophobicContact CE1-CG1 4.44Å; F630-V637 HydrophobicContact CE2-CG1 3.78Å; F630-V637 HydrophobicContact CG-CG1 4.47Å; F630-V637 HydrophobicContact CZ-CG1 4.01Å; F630-R638 HydrophobicContact CD1-CB 4.22Å; F630-R638 HydrophobicContact CD1-CG 4.49Å; F630-W641 HydrophobicContact CE1-CB 3.67Å; F630-W641 AromaticContact CE1-CD1 3.84Å; F630-W641 HydrophobicContact CE1-CD2 4.04Å; F630-W641 AromaticContact CE1-CG 3.55Å; F630-W641 HydrophobicContact CE1-CG 3.55Å; F630-W641 HydrophobicContact CZ-CB 3.95Å; F630-W641 AromaticContact CZ-CD2 3.84Å; F630-W641 HydrophobicContact CZ-CD2 3.84Å; F630-W641 HydrophobicContact CZ-CE3 4.05Å; F630-W641 AromaticContact CZ-CG 3.8Å; F630-W641 HydrophobicContact CZ-CG 3.8Å; F630-L670 HydrophobicContact CE2-CD2 4.36Å
631	H	87.4	Confident	89.1	Confident	113 Å²	113	38.3 Å²	38.3	52%	0.523	18%	0.175	S	C	.	.	H	α-helix	trans	-74.9	-26.5	177.3	-69.8	159.9	0	0	0	114.6	N556 L627 Q628 I629 T633	N556-H631 PolarHBondContact O-NE2 3.3Å; L627-H631 PolarHBondContact O-N 3.03Å; Q628-H631 PolarHBondContact O-N 3.11Å; I629-H631 VanDerWaalsContact C-N 3.29Å; I629-H631 PolarHBondContact O-N 3.23Å; H631-T633 PolarHBondContact O-N 2.82Å
632	D	86.7	Confident	89.6	Confident	20 Å²	20	39 Å²	39	11%	0.107	18%	0.18	C	C	.	.			trans	-79	91.1	179.6	-164.2	-21.2	0	0	0	110.9	Q628 I629 R634 N635 L704 Q708	Q628-D632 PolarHBondContact O-N 3Å; I629-D632 PolarHBondContact O-N 3.32Å; D632-R634 PolarHBondContact O-N 3.06Å; D632-R634 WeakPolarHBondContact OD1-CB 3.39Å; D632-R634 IonicContact OD1-CZ 3.46Å; D632-R634 PolarHBondContact OD1-N 3.48Å; D632-R634 IonicContact OD1-NE 2.86Å; D632-R634 PolarHBondContact OD1-NE 2.98Å; D632-R634 IonicContact OD1-NH2 2.74Å; D632-R634 IonicContact OD2-CZ 2.73Å; D632-R634 IonicContact OD2-NE 3.42Å; D632-R634 IonicContact OD2-NH2 3.07Å; D632-R634 PolarHBondContact OD2-NH2 3.39Å; D632-N635 PolarHBondContact O-N 2.82Å; D632-N635 PolarHBondContact O-ND2 3.12Å; D632-N635 PolarHBondContact O-OD1 2.85Å; D632-L704 HydrophobicContact CB-CD1 4.22Å; D632-Q708 WeakPolarHBondContact OD2-CG 3.22Å; D632-Q708 PolarHBondContact OD2-NE2 2.93Å
633	T	85.8	Confident	89.9	Confident	118 Å²	118	42.7 Å²	42.7	72%	0.724	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-52.2	-25.4	-179.8	53.8	0	0	0	0	114.4	H631 N635	H631-T633 PolarHBondContact O-N 2.82Å; T633-N635 VanDerWaalsContact C-N 3.28Å; T633-N635 PolarHBondContact O-N 3.35Å
634	R	86.9	Confident	90.1	Very high	164 Å²	164	43.1 Å²	43.1	62%	0.619	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-71.7	-20.6	-178.2	-58.8	173.9	-64.4	169.7	5.1	113.3	D632 C711	D632-R634 PolarHBondContact O-N 3.06Å; D632-R634 WeakPolarHBondContact OD1-CB 3.39Å; D632-R634 IonicContact OD1-CZ 3.46Å; D632-R634 PolarHBondContact OD1-N 3.48Å; D632-R634 IonicContact OD1-NE 2.86Å; D632-R634 PolarHBondContact OD1-NE 2.98Å; D632-R634 IonicContact OD1-NH2 2.74Å; D632-R634 IonicContact OD2-CZ 2.73Å; D632-R634 IonicContact OD2-NE 3.42Å; D632-R634 IonicContact OD2-NH2 3.07Å; D632-R634 PolarHBondContact OD2-NH2 3.39Å; R634-C711 VanDerWaalsContact O-CB 3.22Å; R634-C711 WeakPolarHBondContact O-CB 3.43Å
635	N	88.3	Confident	90.4	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-87.4	-7.4	-174.6	70.3	22.6	0	0	0	114.4	I629 D632 T633 V637 L707 L712	I629-N635 PolarHBondContact O-ND2 2.97Å; D632-N635 PolarHBondContact O-N 2.82Å; D632-N635 PolarHBondContact O-ND2 3.12Å; D632-N635 PolarHBondContact O-OD1 2.85Å; T633-N635 VanDerWaalsContact C-N 3.28Å; T633-N635 PolarHBondContact O-N 3.35Å; N635-V637 HydrophobicContact CB-CG2 4.23Å; N635-V637 PolarHBondContact O-N 2.94Å; N635-V637 VanDerWaalsContact OD1-CB 3.25Å; N635-V637 WeakPolarHBondContact OD1-CB 3.34Å; N635-V637 VanDerWaalsContact OD1-CG2 3.23Å; N635-V637 WeakPolarHBondContact OD1-CG2 3.34Å; N635-V637 PolarHBondContact OD1-N 3.12Å; N635-L707 HydrophobicContact CB-CB 4.11Å; N635-L712 VanDerWaalsContact O-CB 3.23Å; N635-L712 WeakPolarHBondContact O-CB 3.49Å; N635-L712 PolarHBondContact O-N 3.39Å
636	N	90.4	Very high	90.8	Very high	15 Å²	15	40.9 Å²	40.9	8%	0.08	19%	0.192	C	C	.	.			trans	61.9	8.4	-177.4	-57.5	118.1	0	0	0	116.9	K639 L640 K713	N636-K639 PolarHBondContact O-N 2.77Å; N636-L640 PolarHBondContact O-N 2.5Å; N636-L640 VanDerWaalsContact O-N 3.09Å; N636-K713 VanDerWaalsContact OD1-CD 3.26Å; N636-K713 WeakPolarHBondContact OD1-CD 3.39Å; N636-K713 VanDerWaalsContact OD1-CE 3.29Å; N636-K713 WeakPolarHBondContact OD1-CE 3.26Å; N636-K713 WeakPolarHBondContact OD1-CG 3.5Å
637	V	92.9	Very high	90.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.8	-49.7	-176.7	172.1	0	0	0	0	111.8	I629 F630 N635 K639 L640 W641 L646 I678 L707 L712	I629-V637 HydrophobicContact CG2-CB 4.03Å; I629-V637 HydrophobicContact CG2-CG1 3.91Å; I629-V637 HydrophobicContact CG2-CG2 3.66Å; F630-V637 HydrophobicContact CD2-CG1 4.03Å; F630-V637 HydrophobicContact CE1-CG1 4.44Å; F630-V637 HydrophobicContact CE2-CG1 3.78Å; F630-V637 HydrophobicContact CG-CG1 4.47Å; F630-V637 HydrophobicContact CZ-CG1 4.01Å; N635-V637 HydrophobicContact CB-CG2 4.23Å; N635-V637 PolarHBondContact O-N 2.94Å; N635-V637 VanDerWaalsContact OD1-CB 3.25Å; N635-V637 WeakPolarHBondContact OD1-CB 3.34Å; N635-V637 VanDerWaalsContact OD1-CG2 3.23Å; N635-V637 WeakPolarHBondContact OD1-CG2 3.34Å; N635-V637 PolarHBondContact OD1-N 3.12Å; V637-K639 VanDerWaalsContact C-N 3.29Å; V637-K639 PolarHBondContact O-N 3.5Å; V637-L640 PolarHBondContact O-N 2.99Å; V637-W641 WeakPolarHBondContact O-CB 3.44Å; V637-W641 PolarHBondContact O-N 2.97Å; V637-L646 HydrophobicContact CG1-CD2 3.73Å; V637-I678 HydrophobicContact CB-CD1 4.2Å; V637-I678 HydrophobicContact CG1-CD1 3.69Å; V637-I678 HydrophobicContact CG2-CD1 3.4Å; V637-L707 HydrophobicContact CG2-CD1 4.22Å; V637-L712 HydrophobicContact CG2-CB 4.15Å; V637-L712 HydrophobicContact CG2-CD2 3.86Å
638	R	93.5	Very high	90.9	Very high	91 Å²	91	41.3 Å²	41.3	34%	0.343	20%	0.195	S	C	.	.	H	α-helix	trans	-56.5	-42.6	178.9	-178.9	178.2	168.3	-169	-2.2	112.1	D558 V559 F630 W641 E642	D558-R638 VanDerWaalsContact CG-CZ 3.49Å; D558-R638 PolarHBondContact O-NE 2.98Å; D558-R638 PolarHBondContact O-NH2 3.04Å; D558-R638 IonicContact OD1-NH2 2.57Å; D558-R638 PolarHBondContact OD1-NH2 2.77Å; D558-R638 IonicContact OD2-CZ 2.75Å; D558-R638 IonicContact OD2-NH1 3.29Å; D558-R638 PolarHBondContact OD2-NH1 3.22Å; D558-R638 IonicContact OD2-NH2 3.46Å; D558-R638 PolarHBondContact OD2-NH2 3.2Å; V559-R638 HydrophobicContact CG1-CG 3.95Å; F630-R638 HydrophobicContact CD1-CB 4.22Å; F630-R638 HydrophobicContact CD1-CG 4.49Å; R638-W641 WeakPolarHBondContact O-CB 3.32Å; R638-W641 PolarHBondContact O-N 3.03Å; R638-E642 WeakPolarHBondContact O-CG 3.39Å; R638-E642 PolarHBondContact O-N 3.24Å; R638-E642 VanDerWaalsContact O-N 3.13Å
639	K	92.3	Very high	90.8	Very high	81 Å²	81	38.2 Å²	38.2	35%	0.352	18%	0.181	S	C	.	.	H	α-helix	trans	-65.5	-46.1	179.2	-171.4	175	177.6	-173.7	0	111.4	N636 V637 W641 E642 M643 S744 L745	N636-K639 PolarHBondContact O-N 2.77Å; V637-K639 VanDerWaalsContact C-N 3.29Å; V637-K639 PolarHBondContact O-N 3.5Å; K639-W641 VanDerWaalsContact C-N 3.3Å; K639-W641 PolarHBondContact O-N 3.29Å; K639-E642 PolarHBondContact O-N 3.27Å; K639-M643 HydrophobicContact CG-SD 3.97Å; K639-M643 WeakPolarHBondContact O-CB 3.35Å; K639-M643 VanDerWaalsContact O-CG 3.25Å; K639-M643 WeakPolarHBondContact O-CG 3.18Å; K639-M643 PolarHBondContact O-N 3.17Å; K639-M643 VanDerWaalsContact O-N 3.08Å; K639-S744 PolarHBondContact NZ-O 3.34Å; K639-L745 HydrophobicContact CD-CD2 3.7Å; K639-L745 HydrophobicContact CG-CD2 4.09Å
640	L	92.9	Very high	90.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.6	-32.2	177.6	-75.8	166.6	0	0	0	112.9	N636 V637 G644 F645 L646 M668 L712 L741 L745	N636-L640 PolarHBondContact O-N 2.5Å; N636-L640 VanDerWaalsContact O-N 3.09Å; V637-L640 PolarHBondContact O-N 2.99Å; L640-G644 PolarHBondContact O-N 2.81Å; L640-F645 HydrophobicContact CD2-CB 3.89Å; L640-F645 HydrophobicContact CD2-CD2 4.16Å; L640-F645 HydrophobicContact CD2-CG 4.28Å; L640-F645 PolarHBondContact O-N 3.46Å; L640-L646 PolarHBondContact O-N 3.26Å; L640-M668 HydrophobicContact CD1-CE 4.26Å; L640-M668 HydrophobicContact CD2-CE 4.24Å; L640-L712 HydrophobicContact CD1-CB 4.14Å; L640-L712 HydrophobicContact CD1-CD2 3.56Å; L640-L712 HydrophobicContact CD1-CG 3.81Å; L640-L741 HydrophobicContact CD2-CD1 4.2Å; L640-L741 HydrophobicContact CD2-CD2 4.35Å; L640-L745 HydrophobicContact CD2-CD1 3.74Å; L640-L745 HydrophobicContact CD2-CD2 4.44Å; L640-L745 HydrophobicContact CG-CD1 4.37Å
641	W	95	Very high	89.7	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.7	-50.6	172.5	176.9	-97.2	0	0	0	112.3	F553 R561 L563 F630 V637 R638 K639 M643 G644 L646 L670	F553-W641 AromaticContact CE1-CE2 3.92Å; F553-W641 AromaticContact CE1-CZ2 3.76Å; F553-W641 HydrophobicContact CE1-CZ2 3.76Å; F553-W641 HydrophobicContact CZ-CZ2 4.24Å; R561-W641 WeakPolarHBondContact CD-O 3.37Å; R561-W641 HydrophobicContact CG-CZ2 4.35Å; R561-W641 PolarHBondContact NH1-O 3.48Å; R561-W641 PolarHBondContact O-NE1 3.35Å; L563-W641 HydrophobicContact CD2-CH2 3.89Å; L563-W641 HydrophobicContact CD2-CZ2 4.28Å; F630-W641 HydrophobicContact CE1-CB 3.67Å; F630-W641 AromaticContact CE1-CD1 3.84Å; F630-W641 HydrophobicContact CE1-CD2 4.04Å; F630-W641 AromaticContact CE1-CG 3.55Å; F630-W641 HydrophobicContact CE1-CG 3.55Å; F630-W641 HydrophobicContact CZ-CB 3.95Å; F630-W641 AromaticContact CZ-CD2 3.84Å; F630-W641 HydrophobicContact CZ-CD2 3.84Å; F630-W641 HydrophobicContact CZ-CE3 4.05Å; F630-W641 AromaticContact CZ-CG 3.8Å; F630-W641 HydrophobicContact CZ-CG 3.8Å; V637-W641 WeakPolarHBondContact O-CB 3.44Å; V637-W641 PolarHBondContact O-N 2.97Å; R638-W641 WeakPolarHBondContact O-CB 3.32Å; R638-W641 PolarHBondContact O-N 3.03Å; K639-W641 VanDerWaalsContact C-N 3.3Å; K639-W641 PolarHBondContact O-N 3.29Å; W641-M643 VanDerWaalsContact C-N 3.29Å; W641-M643 PolarHBondContact O-N 3.43Å; W641-G644 PolarHBondContact O-N 3.05Å; W641-G644 VanDerWaalsContact O-N 3.07Å; W641-L646 HydrophobicContact CB-CD2 4.5Å; W641-L646 HydrophobicContact CE3-CB 4.25Å; W641-L646 HydrophobicContact CE3-CD2 4.15Å; W641-L646 HydrophobicContact CE3-CG 4.04Å; W641-L670 HydrophobicContact CE3-CD1 4.32Å; W641-L670 HydrophobicContact CH2-CD1 4.06Å; W641-L670 HydrophobicContact CZ3-CD1 3.62Å; W641-L670 HydrophobicContact CZ3-CG 4.02Å
642	E	93.8	Very high	89.3	Confident	69 Å²	69	40.1 Å²	40.1	32%	0.322	19%	0.189	S	C	.	.	H	α-helix	trans	-64.7	-34.4	179.9	-66.9	-70.4	-171.3	0	0	112.6	V559 Q560 R561 R638 K639 G644	V559-E642 WeakPolarHBondContact CA-OE1 3.25Å; V559-E642 WeakPolarHBondContact CB-OE1 3.46Å; Q560-E642 PolarHBondContact N-OE1 3.44Å; R561-E642 PolarHBondContact N-OE2 2.84Å; R638-E642 WeakPolarHBondContact O-CG 3.39Å; R638-E642 PolarHBondContact O-N 3.24Å; R638-E642 VanDerWaalsContact O-N 3.13Å; K639-E642 PolarHBondContact O-N 3.27Å; E642-G644 PolarHBondContact O-N 2.96Å
643	M	91.8	Very high	89	Confident	78 Å²	78	44.9 Å²	44.9	38%	0.384	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-5.2	176.2	-67.5	174.6	78.6	0	0	113.4	K639 W641 F645 L741 L745	K639-M643 HydrophobicContact CG-SD 3.97Å; K639-M643 WeakPolarHBondContact O-CB 3.35Å; K639-M643 VanDerWaalsContact O-CG 3.25Å; K639-M643 WeakPolarHBondContact O-CG 3.18Å; K639-M643 PolarHBondContact O-N 3.17Å; K639-M643 VanDerWaalsContact O-N 3.08Å; W641-M643 VanDerWaalsContact C-N 3.29Å; W641-M643 PolarHBondContact O-N 3.43Å; M643-F645 HydrophobicContact CB-CD2 3.46Å; M643-F645 VanDerWaalsContact CB-CD2 3.46Å; M643-F645 HydrophobicContact CB-CE2 3.66Å; M643-F645 HydrophobicContact CE-CD2 4.3Å; M643-F645 HydrophobicContact CE-CE2 3.67Å; M643-F645 HydrophobicContact SD-CD2 4.48Å; M643-F645 HydrophobicContact SD-CE2 4.4Å; M643-L741 HydrophobicContact CE-CD1 4.17Å; M643-L745 HydrophobicContact SD-CD2 3.9Å
644	G	92.3	Very high	89	Confident	10 Å²	10	43.2 Å²	43.2	10%	0.103	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	10	178.2	0	0	0	0	0	115.5	L640 W641 E642 A731	L640-G644 PolarHBondContact O-N 2.81Å; W641-G644 PolarHBondContact O-N 3.05Å; W641-G644 VanDerWaalsContact O-N 3.07Å; E642-G644 PolarHBondContact O-N 2.96Å; G644-A731 WeakPolarHBondContact O-CB 3.32Å; G644-A731 PolarHBondContact O-N 3.28Å
645	F	93.3	Very high	88.8	Confident	14 Å²	14	35.4 Å²	35.4	6%	0.061	17%	0.165	C	C	.	.			trans	-83.7	-23.6	178.5	-68.4	-72.8	0	0	0	113.6	L640 M643 M668 I728 T730 I736 L741	L640-F645 HydrophobicContact CD2-CB 3.89Å; L640-F645 HydrophobicContact CD2-CD2 4.16Å; L640-F645 HydrophobicContact CD2-CG 4.28Å; L640-F645 PolarHBondContact O-N 3.46Å; M643-F645 HydrophobicContact CB-CD2 3.46Å; M643-F645 VanDerWaalsContact CB-CD2 3.46Å; M643-F645 HydrophobicContact CB-CE2 3.66Å; M643-F645 HydrophobicContact CE-CD2 4.3Å; M643-F645 HydrophobicContact CE-CE2 3.67Å; M643-F645 HydrophobicContact SD-CD2 4.48Å; M643-F645 HydrophobicContact SD-CE2 4.4Å; F645-M668 HydrophobicContact CB-CE 3.99Å; F645-I728 HydrophobicContact CB-CD1 4.39Å; F645-I728 HydrophobicContact CD1-CD1 4.3Å; F645-I728 HydrophobicContact CD1-CG2 3.91Å; F645-I728 HydrophobicContact CE1-CG2 4.04Å; F645-T730 HydrophobicContact CD1-CG2 3.76Å; F645-T730 HydrophobicContact CE1-CG2 3.68Å; F645-T730 HydrophobicContact CZ-CG2 4.5Å; F645-I736 HydrophobicContact CE1-CB 4.01Å; F645-I736 HydrophobicContact CE1-CD1 3.63Å; F645-I736 HydrophobicContact CE1-CG1 4.3Å; F645-I736 HydrophobicContact CE1-CG2 3.99Å; F645-I736 HydrophobicContact CZ-CD1 3.73Å; F645-I736 HydrophobicContact CZ-CG2 4.27Å; F645-L741 HydrophobicContact CB-CD2 4.48Å; F645-L741 HydrophobicContact CD1-CD1 4.26Å; F645-L741 HydrophobicContact CD1-CD2 3.65Å; F645-L741 HydrophobicContact CD2-CD1 3.54Å; F645-L741 HydrophobicContact CD2-CD2 4.24Å; F645-L741 HydrophobicContact CE1-CD1 4.02Å; F645-L741 HydrophobicContact CE1-CD2 3.84Å; F645-L741 HydrophobicContact CE1-CG 4.35Å; F645-L741 HydrophobicContact CE2-CD1 3.31Å; F645-L741 HydrophobicContact CE2-CD2 4.46Å; F645-L741 HydrophobicContact CE2-CG 4.43Å; F645-L741 HydrophobicContact CG-CD1 4.05Å; F645-L741 HydrophobicContact CG-CD2 3.86Å; F645-L741 HydrophobicContact CZ-CD1 3.57Å; F645-L741 HydrophobicContact CZ-CD2 4.28Å; F645-L741 HydrophobicContact CZ-CG 4.33Å
646	L	93.6	Very high	88.6	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	114.6	172.2	-177.9	60.9	0	0	0	109	R561 V637 L640 W641 M668 L670 I678	R561-L646 PolarHBondContact NH1-O 3.47Å; R561-L646 PolarHBondContact NH2-O 2.75Å; V637-L646 HydrophobicContact CG1-CD2 3.73Å; L640-L646 PolarHBondContact O-N 3.26Å; W641-L646 HydrophobicContact CB-CD2 4.5Å; W641-L646 HydrophobicContact CE3-CB 4.25Å; W641-L646 HydrophobicContact CE3-CD2 4.15Å; W641-L646 HydrophobicContact CE3-CG 4.04Å; L646-M668 HydrophobicContact CD1-CB 3.83Å; L646-L670 HydrophobicContact CD1-CD2 4.27Å; L646-L670 HydrophobicContact CD2-CD2 3.75Å; L646-L670 HydrophobicContact CG-CD2 4.07Å; L646-I678 HydrophobicContact CD1-CG2 3.87Å; L646-I678 HydrophobicContact CD2-CD1 4.1Å
647	M	91.9	Very high	88.5	Confident	12 Å²	12	40.8 Å²	40.8	6%	0.059	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	160.9	176.2	-55.3	-174.7	94.2	0	0	110.6	M650 M658 I667 M668 R669 L670	M647-M650 HydrophobicContact CB-SD 3.79Å; M647-M650 HydrophobicContact CE-CE 4.07Å; M647-M650 HydrophobicContact CE-SD 3.79Å; M647-M650 HydrophobicContact CG-SD 4.3Å; M647-M650 HydrophobicContact SD-CE 4.41Å; M647-M650 HydrophobicContact SD-SD 3.57Å; M647-M658 HydrophobicContact CE-CE 3.91Å; M647-M658 HydrophobicContact CE-SD 4.14Å; M647-I667 HydrophobicContact CG-CG2 4.32Å; M647-I667 HydrophobicContact SD-CB 4.45Å; M647-I667 HydrophobicContact SD-CD1 4.32Å; M647-I667 HydrophobicContact SD-CG1 4.17Å; M647-I667 HydrophobicContact SD-CG2 3.52Å; M647-I667 VanDerWaalsContact SD-CG2 3.52Å; M647-M668 WeakPolarHBondContact CB-O 3.42Å; M647-M668 PolarHBondContact N-O 2.88Å; M647-R669 HydrophobicContact CB-CB 4.25Å; M647-R669 WeakPolarHBondContact O-CA 3.44Å; M647-L670 PolarHBondContact O-N 3.28Å; M647-L670 VanDerWaalsContact O-N 3.12Å
648	G	89.4	Confident	88.3	Confident	6 Å²	6	41.5 Å²	41.5	6%	0.062	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	-142.1	177.2	0	0	0	0	0	112.6	D567 L670	D567-G648 VanDerWaalsContact OD1-CA 3.24Å; D567-G648 WeakPolarHBondContact OD1-CA 3.46Å; G648-L670 PolarHBondContact O-N 2.92Å
649	F	86.1	Confident	88	Confident	6 Å²	6	37.2 Å²	37.2	3%	0.026	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	123.9	178.2	-64	-75.2	0	0	0	109.7	L563 D567 L570 L626 L670 F672	L563-F649 HydrophobicContact CD1-CE2 4.47Å; L563-F649 HydrophobicContact CD2-CD2 4.24Å; L563-F649 HydrophobicContact CD2-CE2 4.03Å; D567-F649 HydrophobicContact CB-CB 4.35Å; D567-F649 HydrophobicContact CB-CD2 4.11Å; D567-F649 PolarHBondContact OD1-N 3.5Å; L570-F649 HydrophobicContact CD2-CB 4.29Å; L626-F649 HydrophobicContact CD2-CZ 4.13Å; F649-L670 HydrophobicContact CD1-CB 3.84Å; F649-L670 HydrophobicContact CE1-CB 3.65Å; F649-L670 HydrophobicContact CE2-CB 4.46Å; F649-L670 HydrophobicContact CE2-CD1 4.24Å; F649-L670 HydrophobicContact CG-CB 4.33Å; F649-L670 HydrophobicContact CZ-CB 3.98Å; F649-L670 HydrophobicContact CZ-CD1 4.21Å; F649-F672 HydrophobicContact CD1-CD2 4.15Å; F649-F672 HydrophobicContact CD1-CE2 4.37Å; F649-F672 HydrophobicContact CE1-CD1 4.03Å; F649-F672 AromaticContact CE1-CD2 3.57Å; F649-F672 HydrophobicContact CE1-CD2 3.57Å; F649-F672 AromaticContact CE1-CE1 3.97Å; F649-F672 HydrophobicContact CE1-CE1 3.97Å; F649-F672 AromaticContact CE1-CE2 3.52Å; F649-F672 HydrophobicContact CE1-CE2 3.52Å; F649-F672 AromaticContact CE1-CG 3.83Å; F649-F672 HydrophobicContact CE1-CG 3.83Å; F649-F672 AromaticContact CE1-CZ 3.76Å; F649-F672 HydrophobicContact CE1-CZ 3.76Å; F649-F672 AromaticContact CE2-CE2 3.95Å; F649-F672 HydrophobicContact CE2-CE2 3.95Å; F649-F672 HydrophobicContact CE2-CZ 4.23Å; F649-F672 HydrophobicContact CZ-CD1 4.4Å; F649-F672 AromaticContact CZ-CD2 3.86Å; F649-F672 HydrophobicContact CZ-CD2 3.86Å; F649-F672 AromaticContact CZ-CE1 3.89Å; F649-F672 HydrophobicContact CZ-CE1 3.89Å; F649-F672 AromaticContact CZ-CE2 3.28Å; F649-F672 HydrophobicContact CZ-CE2 3.28Å; F649-F672 HydrophobicContact CZ-CG 4.39Å; F649-F672 AromaticContact CZ-CZ 3.32Å; F649-F672 HydrophobicContact CZ-CZ 3.32Å
650	M	83.4	Confident	87.6	Confident	15 Å²	15	39.1 Å²	39.1	7%	0.074	19%	0.192	C	C	.	.			trans	-134.7	148.8	-177.8	-54	-179.6	72	0	0	110.6	M647 E654 V655 M658 R669	M647-M650 HydrophobicContact CB-SD 3.79Å; M647-M650 HydrophobicContact CE-CE 4.07Å; M647-M650 HydrophobicContact CE-SD 3.79Å; M647-M650 HydrophobicContact CG-SD 4.3Å; M647-M650 HydrophobicContact SD-CE 4.41Å; M647-M650 HydrophobicContact SD-SD 3.57Å; M650-E654 HydrophobicContact CE-CG 3.88Å; M650-V655 HydrophobicContact CB-CG2 3.66Å; M650-V655 HydrophobicContact CE-CG2 4.26Å; M650-V655 HydrophobicContact SD-CG2 4.19Å; M650-M658 HydrophobicContact CE-SD 3.36Å; M650-M658 WeakPolarHBondContact CE-SD 3.45Å; M650-R669 PolarHBondContact O-NH1 2.97Å
651	E	76.6	Confident	87.2	Confident	78 Å²	78	46.5 Å²	46.5	36%	0.364	22%	0.224	S	C	.	.			trans	-77	156.7	174.2	-63.2	-162.3	160.5	0	0	111.6	L570 E653 E654 V655	L570-E651 HydrophobicContact CD1-CG 4.29Å; E651-E653 VanDerWaalsContact C-N 3.34Å; E651-E653 PolarHBondContact O-N 3.32Å; E651-E654 HydrophobicContact CB-CB 4.44Å; E651-E654 PolarHBondContact O-N 3.34Å; E651-V655 VanDerWaalsContact O-CG2 3.24Å; E651-V655 WeakPolarHBondContact O-CG2 3.25Å; E651-V655 PolarHBondContact O-N 2.59Å; E651-V655 VanDerWaalsContact O-N 3.12Å
652	F	79.1	Confident	86.7	Confident	64 Å²	64	48.9 Å²	48.9	28%	0.281	24%	0.235	S	C	.	.	H	α-helix	trans	-61.5	-43.8	-179.9	-68.4	-72.7	0	0	0	111.5	E654 V655 D656 R669 V673 H698	F652-E654 PolarHBondContact O-N 3.05Å; F652-V655 PolarHBondContact O-N 3.31Å; F652-D656 WeakPolarHBondContact O-CB 3.41Å; F652-D656 VanDerWaalsContact O-CG 3.24Å; F652-D656 PolarHBondContact O-N 2.99Å; F652-R669 VanDerWaalsContact CD1-NH2 3.28Å; F652-V673 HydrophobicContact CZ-CG2 4.2Å; F652-H698 AromaticContact CD1-CD2 3.64Å; F652-H698 AromaticContact CD1-CE1 3.61Å; F652-H698 AromaticContact CD1-CG 3.77Å; F652-H698 AromaticContact CD1-ND1 3.73Å; F652-H698 AromaticContact CD1-NE2 3.5Å; F652-H698 HydrophobicContact CE1-CB 4.35Å; F652-H698 AromaticContact CE1-CG 3.92Å
653	E	80.3	Confident	86.1	Confident	120 Å²	120	54 Å²	54	56%	0.561	26%	0.256	S	S	*	.	H	α-helix	trans	-63.2	-40.3	179.3	-62.9	-176.1	-179	0	0	112.4	E651 D656 N657	E651-E653 VanDerWaalsContact C-N 3.34Å; E651-E653 PolarHBondContact O-N 3.32Å; E653-D656 PolarHBondContact O-N 3.45Å; E653-N657 WeakPolarHBondContact O-CB 3.35Å; E653-N657 PolarHBondContact O-N 3.45Å; E653-N657 PolarHBondContact O-ND2 2.97Å; E653-N657 VanDerWaalsContact O-ND2 3.13Å
654	E	84.4	Confident	85.8	Confident	83 Å²	83	51.6 Å²	51.6	39%	0.388	25%	0.247	S	C	.	.	H	α-helix	trans	-62.3	-47.1	176.3	-173.5	-176.5	-169.4	0	0	111.2	M650 E651 F652 D656 N657 M658	M650-E654 HydrophobicContact CE-CG 3.88Å; E651-E654 HydrophobicContact CB-CB 4.44Å; E651-E654 PolarHBondContact O-N 3.34Å; F652-E654 PolarHBondContact O-N 3.05Å; E654-D656 VanDerWaalsContact C-N 3.29Å; E654-D656 PolarHBondContact O-N 3.2Å; E654-N657 PolarHBondContact O-N 3.3Å; E654-M658 WeakPolarHBondContact O-CG 3.17Å; E654-M658 PolarHBondContact O-N 3Å
655	V	84.3	Confident	85.7	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.5	-39.6	178	175.9	0	0	0	0	111.1	M650 E651 F652 M658 L659 I667 T681	M650-V655 HydrophobicContact CB-CG2 3.66Å; M650-V655 HydrophobicContact CE-CG2 4.26Å; M650-V655 HydrophobicContact SD-CG2 4.19Å; E651-V655 VanDerWaalsContact O-CG2 3.24Å; E651-V655 WeakPolarHBondContact O-CG2 3.25Å; E651-V655 PolarHBondContact O-N 2.59Å; E651-V655 VanDerWaalsContact O-N 3.12Å; F652-V655 PolarHBondContact O-N 3.31Å; V655-M658 PolarHBondContact O-N 3.17Å; V655-L659 HydrophobicContact CG1-CD1 4.15Å; V655-L659 PolarHBondContact O-N 2.96Å; V655-I667 HydrophobicContact CG1-CB 4.48Å; V655-I667 HydrophobicContact CG1-CD1 4.07Å; V655-I667 HydrophobicContact CG1-CG2 4.46Å; V655-T681 HydrophobicContact CG1-CG2 3.81Å; V655-T681 WeakPolarHBondContact CG1-OG1 3.44Å
656	D	84.6	Confident	85.7	Confident	39 Å²	39	50.5 Å²	50.5	21%	0.209	24%	0.239	C	C	.	.	H	α-helix	trans	-65	-48	177.9	-72.6	-10	0	0	0	111.1	F652 E653 E654 M658 L659 E660 P696 H698	F652-D656 WeakPolarHBondContact O-CB 3.41Å; F652-D656 VanDerWaalsContact O-CG 3.24Å; F652-D656 PolarHBondContact O-N 2.99Å; E653-D656 PolarHBondContact O-N 3.45Å; E654-D656 VanDerWaalsContact C-N 3.29Å; E654-D656 PolarHBondContact O-N 3.2Å; D656-M658 VanDerWaalsContact C-N 3.28Å; D656-M658 PolarHBondContact O-N 3.3Å; D656-L659 PolarHBondContact O-N 2.71Å; D656-E660 WeakPolarHBondContact O-CB 3.37Å; D656-E660 WeakPolarHBondContact O-CG 3.44Å; D656-E660 PolarHBondContact O-N 3.08Å; D656-P696 HydrophobicContact CB-CG 4.11Å; D656-P696 VanDerWaalsContact OD1-CB 3.29Å; D656-P696 WeakPolarHBondContact OD1-CB 3.42Å; D656-H698 IonicContact OD1-CE1 2.73Å; D656-H698 PolarHBondContact OD1-CE1 3.49Å; D656-H698 IonicContact OD1-NE2 2.77Å; D656-H698 PolarHBondContact OD1-NE2 3.03Å; D656-H698 IonicContact OD2-NE2 2.89Å
657	N	87.9	Confident	85.7	Confident	90 Å²	90	50.5 Å²	50.5	48%	0.481	24%	0.239	S	C	.	.	H	α-helix	trans	-59.6	-36.5	176.6	-71.5	-27.7	0	0	0	112.6	E653 E654	E653-N657 WeakPolarHBondContact O-CB 3.35Å; E653-N657 PolarHBondContact O-N 3.45Å; E653-N657 PolarHBondContact O-ND2 2.97Å; E653-N657 VanDerWaalsContact O-ND2 3.13Å; E654-N657 PolarHBondContact O-N 3.3Å
658	M	88.9	Confident	85.8	Confident	16 Å²	16	50 Å²	50	8%	0.079	24%	0.237	C	C	.	.	H	α-helix	trans	-67.4	-48.2	175	-70.7	-173.6	91.5	0	0	111.6	M647 M650 E654 V655 D656 E660 K661 H662 I667 L729 E733	M647-M658 HydrophobicContact CE-CE 3.91Å; M647-M658 HydrophobicContact CE-SD 4.14Å; M650-M658 HydrophobicContact CE-SD 3.36Å; M650-M658 WeakPolarHBondContact CE-SD 3.45Å; E654-M658 WeakPolarHBondContact O-CG 3.17Å; E654-M658 PolarHBondContact O-N 3Å; V655-M658 PolarHBondContact O-N 3.17Å; D656-M658 VanDerWaalsContact C-N 3.28Å; D656-M658 PolarHBondContact O-N 3.3Å; M658-E660 VanDerWaalsContact C-N 3.3Å; M658-E660 PolarHBondContact O-N 3.15Å; M658-K661 PolarHBondContact O-N 3.43Å; M658-H662 PolarHBondContact O-CD2 3.23Å; M658-H662 VanDerWaalsContact O-CD2 3.23Å; M658-I667 HydrophobicContact CB-CD1 4.08Å; M658-I667 HydrophobicContact SD-CD1 4.41Å; M658-L729 HydrophobicContact CB-CD2 4.2Å; M658-L729 HydrophobicContact CE-CD2 3.74Å; M658-E733 HydrophobicContact CE-CG 3.71Å
659	L	87.1	Confident	85.9	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-70.8	-25.7	179.9	-72.4	173.3	0	0	0	112.7	V655 D656 K661 H662 A665 I667 T681 K683 P696	V655-L659 HydrophobicContact CG1-CD1 4.15Å; V655-L659 PolarHBondContact O-N 2.96Å; D656-L659 PolarHBondContact O-N 2.71Å; L659-K661 PolarHBondContact O-N 3.18Å; L659-H662 PolarHBondContact O-N 3.05Å; L659-H662 VanDerWaalsContact O-O 3.1Å; L659-A665 HydrophobicContact CD2-CB 3.85Å; L659-I667 HydrophobicContact CD1-CD1 4.24Å; L659-I667 HydrophobicContact CD2-CD1 3.93Å; L659-I667 HydrophobicContact CD2-CG1 3.99Å; L659-I667 HydrophobicContact CG-CD1 3.73Å; L659-I667 HydrophobicContact CG-CG1 4.25Å; L659-T681 HydrophobicContact CD1-CG2 3.43Å; L659-T681 VanDerWaalsContact CD1-CG2 3.43Å; L659-K683 HydrophobicContact CB-CB 4.23Å; L659-K683 HydrophobicContact CB-CD 4.4Å; L659-K683 WeakPolarHBondContact O-CD 3.4Å; L659-K683 PolarHBondContact O-NZ 2.91Å; L659-P696 HydrophobicContact CB-CB 4.45Å; L659-P696 HydrophobicContact CB-CG 4.07Å; L659-P696 HydrophobicContact CD1-CB 4.12Å
660	E	84.3	Confident	86.2	Confident	122 Å²	122	49.6 Å²	49.6	57%	0.57	23%	0.233	S	C	*	.	H	α-helix	trans	-55.3	-36.5	175.8	-88.5	-170.5	179.2	0	0	112.4	D656 M658 H662 K683	D656-E660 WeakPolarHBondContact O-CB 3.37Å; D656-E660 WeakPolarHBondContact O-CG 3.44Å; D656-E660 PolarHBondContact O-N 3.08Å; M658-E660 VanDerWaalsContact C-N 3.3Å; M658-E660 PolarHBondContact O-N 3.15Å; E660-H662 PolarHBondContact O-N 3.41Å; E660-K683 PolarHBondContact O-NZ 2.92Å
661	K	83.7	Confident	86.2	Confident	154 Å²	154	49 Å²	49	67%	0.67	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-15.6	178.4	-59.6	173.5	-173.2	173.2	0	113.7	M658 L659	M658-K661 PolarHBondContact O-N 3.43Å; L659-K661 PolarHBondContact O-N 3.18Å
662	H	84.9	Confident	86.2	Confident	50 Å²	50	45.4 Å²	45.4	23%	0.231	21%	0.214	C	C	.	.			trans	-113.2	147.5	-175.6	-57.5	-71.7	0	0	0	111.8	M658 L659 E660 A665 K683 V735	M658-H662 PolarHBondContact O-CD2 3.23Å; M658-H662 VanDerWaalsContact O-CD2 3.23Å; L659-H662 PolarHBondContact O-N 3.05Å; L659-H662 VanDerWaalsContact O-O 3.1Å; E660-H662 PolarHBondContact O-N 3.41Å; H662-A665 HydrophobicContact CB-CB 3.87Å; H662-K683 WeakPolarHBondContact O-CD 3.49Å; H662-K683 WeakPolarHBondContact O-CE 3.48Å; H662-K683 PolarHBondContact O-NZ 3.43Å; H662-V735 VanDerWaalsContact CE1-CG2 3.49Å; H662-V735 WeakPolarHBondContact CE1-CG2 3.48Å
663	K	80.5	Confident	85.8	Confident	176 Å²	176	43 Å²	43	77%	0.765	20%	0.204	S	C	*	.	S	Bend	trans	-77.1	-36.3	177.3	-68.6	-174.9	179.4	-180	0	112.5	L685	K663-L685 HydrophobicContact CB-CD1 4.44Å
664	S	85.9	Confident	85.4	Confident	29 Å²	29	40 Å²	40	20%	0.203	19%	0.194	C	C	.	.	S	Bend	trans	-156.6	114.8	176	175.8	0	0	0	0	109	K683	S664-K683 VanDerWaalsContact CA-O 3.28Å; S664-K683 WeakPolarHBondContact CA-O 3.49Å
665	A	90.6	Very high	85	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	161.2	-179.2	0	0	0	0	0	110	L659 H662 K683 Y727	L659-A665 HydrophobicContact CD2-CB 3.85Å; H662-A665 HydrophobicContact CB-CB 3.87Å; A665-K683 PolarHBondContact N-O 2.97Å; A665-K683 PolarHBondContact O-N 3.24Å; A665-Y727 CarbonylContact C-O 3.58Å; A665-Y727 WeakPolarHBondContact CA-O 3.3Å
666	L	92.4	Very high	84.9	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	158.5	169.4	86.4	122.5	0	0	0	112.3	M668 F680 T681 V682 L716 V725 Y727 I728 L729 I738	L666-M668 HydrophobicContact CD1-CG 3.89Å; L666-F680 HydrophobicContact CD1-CD1 3.47Å; L666-F680 VanDerWaalsContact CD1-CD1 3.47Å; L666-F680 HydrophobicContact CD1-CE1 3.72Å; L666-T681 CarbonylContact C-O 3.58Å; L666-T681 VanDerWaalsContact CA-O 3.28Å; L666-T681 WeakPolarHBondContact CA-O 3.39Å; L666-V682 HydrophobicContact CB-CG2 4.16Å; L666-L716 HydrophobicContact CD1-CD1 3.58Å; L666-L716 HydrophobicContact CD2-CD1 3.65Å; L666-L716 HydrophobicContact CG-CD1 4.22Å; L666-V725 HydrophobicContact CB-CG1 4.4Å; L666-V725 HydrophobicContact CD2-CG1 4.28Å; L666-Y727 PolarHBondContact N-O 3.39Å; L666-I728 HydrophobicContact CD1-CD1 4.26Å; L666-I728 HydrophobicContact CD1-CG1 4.46Å; L666-I728 HydrophobicContact CD2-CB 4.06Å; L666-I728 HydrophobicContact CD2-CG1 4.4Å; L666-I728 HydrophobicContact CG-CB 4.23Å; L666-I728 HydrophobicContact CG-CD1 4.39Å; L666-I728 HydrophobicContact CG-CG1 4.09Å; L666-L729 PolarHBondContact O-N 2.73Å; L666-I738 HydrophobicContact CD2-CD1 3.27Å; L666-I738 HydrophobicContact CD2-CG1 4.05Å
667	I	92.9	Very high	85	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	136.8	170.4	-74.4	169.5	0	0	0	108.8	M647 V655 M658 L659 R669 F680 T681 L729	M647-I667 HydrophobicContact CG-CG2 4.32Å; M647-I667 HydrophobicContact SD-CB 4.45Å; M647-I667 HydrophobicContact SD-CD1 4.32Å; M647-I667 HydrophobicContact SD-CG1 4.17Å; M647-I667 HydrophobicContact SD-CG2 3.52Å; M647-I667 VanDerWaalsContact SD-CG2 3.52Å; V655-I667 HydrophobicContact CG1-CB 4.48Å; V655-I667 HydrophobicContact CG1-CD1 4.07Å; V655-I667 HydrophobicContact CG1-CG2 4.46Å; M658-I667 HydrophobicContact CB-CD1 4.08Å; M658-I667 HydrophobicContact SD-CD1 4.41Å; L659-I667 HydrophobicContact CD1-CD1 4.24Å; L659-I667 HydrophobicContact CD2-CD1 3.93Å; L659-I667 HydrophobicContact CD2-CG1 3.99Å; L659-I667 HydrophobicContact CG-CD1 3.73Å; L659-I667 HydrophobicContact CG-CG1 4.25Å; I667-R669 HydrophobicContact CG2-CB 4.39Å; I667-F680 WeakPolarHBondContact O-CA 3.4Å; I667-T681 PolarHBondContact N-O 3.45Å; I667-T681 PolarHBondContact O-N 3.07Å; I667-L729 HydrophobicContact CD1-CD2 3.82Å; I667-L729 HydrophobicContact CG1-CB 3.89Å; I667-L729 HydrophobicContact CG1-CD2 4.11Å
668	M	94.3	Very high	85.2	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	132.1	165.4	-59.8	-170.8	-71.4	0	0	108.9	L640 F645 L646 M647 L666 C679 F680 L712 L716 I728	L640-M668 HydrophobicContact CD1-CE 4.26Å; L640-M668 HydrophobicContact CD2-CE 4.24Å; F645-M668 HydrophobicContact CB-CE 3.99Å; L646-M668 HydrophobicContact CD1-CB 3.83Å; M647-M668 WeakPolarHBondContact CB-O 3.42Å; M647-M668 PolarHBondContact N-O 2.88Å; L666-M668 HydrophobicContact CD1-CG 3.89Å; M668-C679 WeakPolarHBondContact CA-O 3.42Å; M668-F680 HydrophobicContact CG-CD1 3.77Å; M668-F680 HydrophobicContact CG-CE1 3.39Å; M668-F680 HydrophobicContact CG-CZ 3.84Å; M668-F680 HydrophobicContact SD-CD1 4.47Å; M668-F680 HydrophobicContact SD-CE1 3.52Å; M668-F680 VanDerWaalsContact SD-CE1 3.52Å; M668-F680 HydrophobicContact SD-CZ 3.54Å; M668-F680 VanDerWaalsContact SD-CZ 3.54Å; M668-L712 HydrophobicContact SD-CD1 4.19Å; M668-L712 HydrophobicContact SD-CD2 4.17Å; M668-L712 HydrophobicContact SD-CG 4.14Å; M668-L716 HydrophobicContact CE-CD2 4.37Å; M668-L716 HydrophobicContact SD-CD1 4.36Å; M668-I728 HydrophobicContact CE-CD1 3.39Å; M668-I728 HydrophobicContact CG-CD1 4.16Å; M668-I728 HydrophobicContact SD-CD1 4.34Å
669	R	92	Very high	85.2	Confident	5 Å²	5	29.7 Å²	29.7	2%	0.019	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	157.1	-178.2	66.7	-178.4	178.5	90.5	-7.1	113.5	M647 M650 F652 I667 I678 C679	M647-R669 HydrophobicContact CB-CB 4.25Å; M647-R669 WeakPolarHBondContact O-CA 3.44Å; M650-R669 PolarHBondContact O-NH1 2.97Å; F652-R669 VanDerWaalsContact CD1-NH2 3.28Å; I667-R669 HydrophobicContact CG2-CB 4.39Å; R669-I678 WeakPolarHBondContact O-CA 3.49Å; R669-C679 HydrophobicContact CG-CB 4.05Å; R669-C679 PolarHBondContact N-O 2.93Å; R669-C679 PolarHBondContact O-N 2.92Å
670	L	91.4	Very high	85.3	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	150.7	167.8	-58.1	-173.9	0	0	0	110.7	L563 L626 F630 W641 L646 M647 G648 F649 I678	L563-L670 HydrophobicContact CD2-CD1 4.38Å; L626-L670 HydrophobicContact CD1-CD1 4.12Å; L626-L670 HydrophobicContact CD1-CD2 3.65Å; L626-L670 HydrophobicContact CD1-CG 4.38Å; L626-L670 HydrophobicContact CD2-CD1 3.91Å; F630-L670 HydrophobicContact CE2-CD2 4.36Å; W641-L670 HydrophobicContact CE3-CD1 4.32Å; W641-L670 HydrophobicContact CH2-CD1 4.06Å; W641-L670 HydrophobicContact CZ3-CD1 3.62Å; W641-L670 HydrophobicContact CZ3-CG 4.02Å; L646-L670 HydrophobicContact CD1-CD2 4.27Å; L646-L670 HydrophobicContact CD2-CD2 3.75Å; L646-L670 HydrophobicContact CG-CD2 4.07Å; M647-L670 PolarHBondContact O-N 3.28Å; M647-L670 VanDerWaalsContact O-N 3.12Å; G648-L670 PolarHBondContact O-N 2.92Å; F649-L670 HydrophobicContact CD1-CB 3.84Å; F649-L670 HydrophobicContact CE1-CB 3.65Å; F649-L670 HydrophobicContact CE2-CB 4.46Å; F649-L670 HydrophobicContact CE2-CD1 4.24Å; F649-L670 HydrophobicContact CG-CB 4.33Å; F649-L670 HydrophobicContact CZ-CB 3.98Å; F649-L670 HydrophobicContact CZ-CD1 4.21Å; L670-I678 HydrophobicContact CD2-CG1 4.32Å
671	S	83.5	Confident	85.4	Confident	2 Å²	2	24 Å²	24	1%	0.014	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	142.2	-176.5	-176.3	0	0	0	0	112.7	V673 T677 C679	S671-V673 WeakPolarHBondContact OG-CB 3.43Å; S671-V673 WeakPolarHBondContact OG-CG2 3.27Å; S671-V673 PolarHBondContact OG-N 3.28Å; S671-T677 PolarHBondContact N-O 3.19Å; S671-T677 PolarHBondContact O-N 2.81Å; S671-T677 PolarHBondContact O-OG1 2.88Å; S671-C679 WeakPolarHBondContact CB-SG 3.45Å
672	F	77.2	Confident	85.6	Confident	3 Å²	3	16.7 Å²	16.7	1%	0.013	9%	0.085	C	C	.	.			trans	-114	49.2	169	-72.5	-33	0	0	0	110.9	L571 K574 F617 G622 F649 G675	L571-F672 HydrophobicContact CD2-CD2 3.68Å; L571-F672 HydrophobicContact CD2-CE2 3.69Å; K574-F672 HydrophobicContact CD-CB 4.44Å; K574-F672 PolarHBondContact NZ-O 3.26Å; F617-F672 HydrophobicContact CE2-CB 4.14Å; F617-F672 HydrophobicContact CE2-CD1 4.13Å; F617-F672 HydrophobicContact CE2-CG 4.31Å; F617-F672 HydrophobicContact CZ-CB 3.84Å; F617-F672 HydrophobicContact CZ-CG 4.48Å; F617-F672 WeakPolarHBondContact CZ-O 3.45Å; G622-F672 VanDerWaalsContact CA-CE1 3.48Å; G622-F672 WeakPolarHBondContact O-CE1 3.34Å; F649-F672 HydrophobicContact CD1-CD2 4.15Å; F649-F672 HydrophobicContact CD1-CE2 4.37Å; F649-F672 HydrophobicContact CE1-CD1 4.03Å; F649-F672 AromaticContact CE1-CD2 3.57Å; F649-F672 HydrophobicContact CE1-CD2 3.57Å; F649-F672 AromaticContact CE1-CE1 3.97Å; F649-F672 HydrophobicContact CE1-CE1 3.97Å; F649-F672 AromaticContact CE1-CE2 3.52Å; F649-F672 HydrophobicContact CE1-CE2 3.52Å; F649-F672 AromaticContact CE1-CG 3.83Å; F649-F672 HydrophobicContact CE1-CG 3.83Å; F649-F672 AromaticContact CE1-CZ 3.76Å; F649-F672 HydrophobicContact CE1-CZ 3.76Å; F649-F672 AromaticContact CE2-CE2 3.95Å; F649-F672 HydrophobicContact CE2-CE2 3.95Å; F649-F672 HydrophobicContact CE2-CZ 4.23Å; F649-F672 HydrophobicContact CZ-CD1 4.4Å; F649-F672 AromaticContact CZ-CD2 3.86Å; F649-F672 HydrophobicContact CZ-CD2 3.86Å; F649-F672 AromaticContact CZ-CE1 3.89Å; F649-F672 HydrophobicContact CZ-CE1 3.89Å; F649-F672 AromaticContact CZ-CE2 3.28Å; F649-F672 HydrophobicContact CZ-CE2 3.28Å; F649-F672 HydrophobicContact CZ-CG 4.39Å; F649-F672 AromaticContact CZ-CZ 3.32Å; F649-F672 HydrophobicContact CZ-CZ 3.32Å; F672-G675 WeakPolarHBondContact CA-O 3.45Å
673	V	71.2	Confident	85.7	Confident	14 Å²	14	15.6 Å²	15.6	9%	0.085	8%	0.08	C	C	.	.	S	Bend	trans	-86.9	-58.8	176.8	164.9	0	0	0	0	110.9	Y608 F652 S671 P701	Y608-V673 WeakPolarHBondContact CB-O 3.43Å; Y608-V673 HydrophobicContact CD1-CG1 3.63Å; Y608-V673 HydrophobicContact CD2-CB 4.44Å; Y608-V673 HydrophobicContact CD2-CG1 3.64Å; Y608-V673 HydrophobicContact CD2-CG2 4.48Å; Y608-V673 HydrophobicContact CE1-CG1 3.45Å; Y608-V673 VanDerWaalsContact CE1-CG1 3.45Å; Y608-V673 HydrophobicContact CE2-CB 4.49Å; Y608-V673 HydrophobicContact CE2-CG1 3.48Å; Y608-V673 VanDerWaalsContact CE2-CG1 3.48Å; Y608-V673 HydrophobicContact CE2-CG2 4.38Å; Y608-V673 HydrophobicContact CG-CG1 3.7Å; F652-V673 HydrophobicContact CZ-CG2 4.2Å; S671-V673 WeakPolarHBondContact OG-CB 3.43Å; S671-V673 WeakPolarHBondContact OG-CG2 3.27Å; S671-V673 PolarHBondContact OG-N 3.28Å; V673-P701 HydrophobicContact CB-CG 4.45Å; V673-P701 HydrophobicContact CG1-CG 4.14Å
674	T	71.1	Confident	85.8	Confident	56 Å²	56	7.6 Å²	7.6	34%	0.344	5%	0.046	S	C	.	.	S	Bend	trans	-108.8	13.6	177.3	50.9	0	0	0	0	113.8	Y608 V615	Y608-T674 HydrophobicContact CD1-CG2 4.36Å; V615-T674 HydrophobicContact CG2-CG2 4.34Å
675	G	77	Confident	85.3	Confident	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.055	C	C	.	.	S	Bend	trans	128.8	-165.1	-166.2	0	0	0	0	0	110.3	E625 F672 T677	E625-G675 WeakPolarHBondContact OE2-CA 3.44Å; F672-G675 WeakPolarHBondContact CA-O 3.45Å; G675-T677 PolarHBondContact O-N 3.35Å; G675-T677 PolarHBondContact O-OG1 3Å
676	G	82.1	Confident	84.2	Confident	4 Å²	4	11.6 Å²	11.6	4%	0.041	7%	0.07	C	C	.	.	S	Bend	trans	-70.7	108.1	169.5	0	0	0	0	0	110.8	G622 E625 I629	G622-G676 WeakPolarHBondContact O-CA 3.43Å; E625-G676 PolarHBondContact OE2-N 2.71Å; I629-G676 WeakPolarHBondContact CD1-O 3.35Å
677	T	87.1	Confident	82.8	Confident	2 Å²	2	15.5 Å²	15.5	1%	0.012	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	166.9	-172.5	52.6	0	0	0	0	112.6	S671 G675 P701 L702 D703	S671-T677 PolarHBondContact N-O 3.19Å; S671-T677 PolarHBondContact O-N 2.81Å; S671-T677 PolarHBondContact O-OG1 2.88Å; G675-T677 PolarHBondContact O-N 3.35Å; G675-T677 PolarHBondContact O-OG1 3Å; T677-P701 HydrophobicContact CG2-CB 4.09Å; T677-L702 WeakPolarHBondContact CA-O 3.36Å; T677-L702 WeakPolarHBondContact CB-O 3.5Å; T677-D703 HydrophobicContact CG2-CB 4.19Å
678	I	90.8	Very high	81.4	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	130	172.6	-59.4	-180	0	0	0	109.2	I629 V637 L646 R669 L670 L702 L707 L712	I629-I678 HydrophobicContact CG2-CD1 4.1Å; V637-I678 HydrophobicContact CB-CD1 4.2Å; V637-I678 HydrophobicContact CG1-CD1 3.69Å; V637-I678 HydrophobicContact CG2-CD1 3.4Å; L646-I678 HydrophobicContact CD1-CG2 3.87Å; L646-I678 HydrophobicContact CD2-CD1 4.1Å; R669-I678 WeakPolarHBondContact O-CA 3.49Å; L670-I678 HydrophobicContact CD2-CG1 4.32Å; I678-L702 PolarHBondContact N-O 2.94Å; I678-L702 PolarHBondContact O-N 3.11Å; I678-L707 HydrophobicContact CD1-CD1 3.99Å; I678-L712 HydrophobicContact CD1-CD2 3.93Å; I678-L712 HydrophobicContact CG2-CD1 4.05Å; I678-L712 HydrophobicContact CG2-CD2 4.44Å
679	C	89.2	Confident	79.6	Confident	6 Å²	6	26.2 Å²	26.2	4%	0.041	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	147.9	178.3	-73.4	0	0	0	0	111.1	M668 R669 S671	M668-C679 WeakPolarHBondContact CA-O 3.42Å; R669-C679 HydrophobicContact CG-CB 4.05Å; R669-C679 PolarHBondContact N-O 2.93Å; R669-C679 PolarHBondContact O-N 2.92Å; S671-C679 WeakPolarHBondContact CB-SG 3.45Å
680	F	89.1	Confident	77.9	Confident	2 Å²	2	29.8 Å²	29.8	1%	0.009	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	135.8	167.9	-75.6	-100.3	0	0	0	109.3	L666 I667 M668 L699 L702 L712 L716 I719	L666-F680 HydrophobicContact CD1-CD1 3.47Å; L666-F680 VanDerWaalsContact CD1-CD1 3.47Å; L666-F680 HydrophobicContact CD1-CE1 3.72Å; I667-F680 WeakPolarHBondContact O-CA 3.4Å; M668-F680 HydrophobicContact CG-CD1 3.77Å; M668-F680 HydrophobicContact CG-CE1 3.39Å; M668-F680 HydrophobicContact CG-CZ 3.84Å; M668-F680 HydrophobicContact SD-CD1 4.47Å; M668-F680 HydrophobicContact SD-CE1 3.52Å; M668-F680 VanDerWaalsContact SD-CE1 3.52Å; M668-F680 HydrophobicContact SD-CZ 3.54Å; M668-F680 VanDerWaalsContact SD-CZ 3.54Å; F680-L699 HydrophobicContact CB-CB 4.1Å; F680-L699 HydrophobicContact CB-CD1 3.81Å; F680-L699 HydrophobicContact CB-CG 4.2Å; F680-L699 PolarHBondContact O-N 3.41Å; F680-L702 HydrophobicContact CD2-CD1 4.13Å; F680-L702 HydrophobicContact CE2-CD1 3.63Å; F680-L712 HydrophobicContact CE2-CD1 3.53Å; F680-L712 HydrophobicContact CZ-CD1 3.52Å; F680-L716 HydrophobicContact CE1-CB 4.26Å; F680-L716 HydrophobicContact CE1-CD1 4.03Å; F680-L716 HydrophobicContact CZ-CB 4.4Å; F680-I719 HydrophobicContact CB-CD1 4.24Å; F680-I719 HydrophobicContact CD1-CD1 3.65Å; F680-I719 HydrophobicContact CD2-CD1 3.78Å; F680-I719 HydrophobicContact CE1-CD1 3.83Å; F680-I719 HydrophobicContact CE2-CD1 3.97Å; F680-I719 HydrophobicContact CG-CD1 3.62Å; F680-I719 HydrophobicContact CZ-CD1 3.99Å
681	T	87.5	Confident	76.1	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	130.6	163.8	-52.1	0	0	0	0	108.5	V655 L659 L666 I667 P696 I697 H698	V655-T681 HydrophobicContact CG1-CG2 3.81Å; V655-T681 WeakPolarHBondContact CG1-OG1 3.44Å; L659-T681 HydrophobicContact CD1-CG2 3.43Å; L659-T681 VanDerWaalsContact CD1-CG2 3.43Å; L666-T681 CarbonylContact C-O 3.58Å; L666-T681 VanDerWaalsContact CA-O 3.28Å; L666-T681 WeakPolarHBondContact CA-O 3.39Å; I667-T681 PolarHBondContact N-O 3.45Å; I667-T681 PolarHBondContact O-N 3.07Å; T681-P696 HydrophobicContact CG2-CB 3.83Å; T681-I697 CarbonylContact C-O 3.57Å; T681-I697 WeakPolarHBondContact CA-O 3.38Å; T681-H698 WeakPolarHBondContact CG2-ND1 3.34Å; T681-H698 PolarHBondContact OG1-ND1 3.18Å
682	V	87.8	Confident	74.6	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	133.4	-173.8	-174.2	0	0	0	0	109.4	L666 I697 L699 I719 E723 V725	L666-V682 HydrophobicContact CB-CG2 4.16Å; V682-I697 PolarHBondContact N-O 3.23Å; V682-I697 PolarHBondContact O-N 3.38Å; V682-L699 HydrophobicContact CG2-CD1 3.93Å; V682-L699 HydrophobicContact CG2-CG 4.39Å; V682-I719 HydrophobicContact CG2-CG2 3.67Å; V682-E723 HydrophobicContact CG1-CB 3.9Å; V682-E723 HydrophobicContact CG1-CG 4.13Å; V682-V725 HydrophobicContact CG1-CB 4.43Å; V682-V725 HydrophobicContact CG1-CG2 3.44Å; V682-V725 VanDerWaalsContact CG1-CG2 3.44Å
683	K	86.9	Confident	73.6	Confident	26 Å²	26	48.8 Å²	48.8	11%	0.113	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	122.5	164.9	-174.5	179.7	176	-174.4	0	108.6	L659 E660 H662 S664 A665 S694	L659-K683 HydrophobicContact CB-CB 4.23Å; L659-K683 HydrophobicContact CB-CD 4.4Å; L659-K683 WeakPolarHBondContact O-CD 3.4Å; L659-K683 PolarHBondContact O-NZ 2.91Å; E660-K683 PolarHBondContact O-NZ 2.92Å; H662-K683 WeakPolarHBondContact O-CD 3.49Å; H662-K683 WeakPolarHBondContact O-CE 3.48Å; H662-K683 PolarHBondContact O-NZ 3.43Å; S664-K683 VanDerWaalsContact CA-O 3.28Å; S664-K683 WeakPolarHBondContact CA-O 3.49Å; A665-K683 PolarHBondContact N-O 2.97Å; A665-K683 PolarHBondContact O-N 3.24Å; K683-S694 WeakPolarHBondContact CE-O 3.11Å; K683-S694 WeakPolarHBondContact CG-OG 3.38Å
684	S	81.5	Confident	73.4	Confident	8 Å²	8	48.8 Å²	48.8	6%	0.056	26%	0.26	C	S	.	.			trans	-141.1	143.9	-178.7	-174.2	0	0	0	0	112.4	A686 S694 E723	S684-A686 VanDerWaalsContact C-N 3.3Å; S684-A686 VanDerWaalsContact OG-CB 3.27Å; S684-A686 WeakPolarHBondContact OG-CB 3.41Å; S684-A686 PolarHBondContact OG-N 3.05Å; S684-S694 PolarHBondContact O-OG 3.07Å; S684-E723 VanDerWaalsContact CB-O 3.27Å; S684-E723 WeakPolarHBondContact CB-O 3.35Å; S684-E723 PolarHBondContact OG-O 2.83Å
685	L	74.9	Confident	73.5	Confident	76 Å²	76	56.1 Å²	56.1	40%	0.398	28%	0.281	S	S	.	.	S	Bend	trans	-88.6	2.9	171.2	-63	169.5	0	0	0	112.2	K663 H687	K663-L685 HydrophobicContact CB-CD1 4.44Å; L685-H687 PolarHBondContact O-N 3.02Å
686	A	68.3	Low	73.6	Confident	37 Å²	37	57 Å²	57	31%	0.306	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-25.8	-173.1	0	0	0	0	0	113.9	S684 K724	S684-A686 VanDerWaalsContact C-N 3.3Å; S684-A686 VanDerWaalsContact OG-CB 3.27Å; S684-A686 WeakPolarHBondContact OG-CB 3.41Å; S684-A686 PolarHBondContact OG-N 3.05Å; A686-K724 HydrophobicContact CB-CB 4.14Å; A686-K724 HydrophobicContact CB-CD 4.07Å; A686-K724 HydrophobicContact CB-CG 4.22Å
687	H	64.1	Low	73.6	Confident	84 Å²	84	59.9 Å²	59.9	39%	0.389	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116	5.2	-171.5	-58.4	-63.7	0	0	0	113.7	L685 E723	L685-H687 PolarHBondContact O-N 3.02Å; H687-E723 IonicContact CD2-OE2 3.5Å; H687-E723 PolarHBondContact CD2-OE2 2.81Å; H687-E723 IonicContact NE2-OE2 3.85Å; H687-E723 PolarHBondContact NE2-OE2 2.84Å
688	T	63.3	Low	73.2	Confident	48 Å²	48	61 Å²	61	29%	0.294	31%	0.306	S	S	.	.			trans	-132.9	135.7	179.3	73.3	0	0	0	0	112	D690	T688-D690 VanDerWaalsContact C-N 3.34Å; T688-D690 PolarHBondContact OG1-O 3.43Å
689	L	56.3	Low	72.8	Confident	176 Å²	176	61.9 Å²	61.9	92%	0.921	31%	0.31	S	S	*	.	S	Bend	trans	-83.3	-14	173.5	-70.4	164.6	0	0	0	112.4
690	D	56.5	Low	72.3	Confident	81 Å²	81	65.1 Å²	65.1	43%	0.433	33%	0.325	S	S	.	.			trans	-101	113.9	177	-173.8	-3.2	0	0	0	110.9	T688 R692 S693	T688-D690 VanDerWaalsContact C-N 3.34Å; T688-D690 PolarHBondContact OG1-O 3.43Å; D690-R692 PolarHBondContact O-N 2.74Å; D690-R692 VanDerWaalsContact O-N 3.17Å; D690-R692 WeakPolarHBondContact OD1-CB 3.4Å; D690-R692 PolarHBondContact OD1-N 2.94Å; D690-S693 PolarHBondContact O-N 3.16Å; D690-S693 VanDerWaalsContact O-N 3.14Å; D690-S693 PolarHBondContact O-OG 3.21Å
691	P	52.6	Low	72.1	Confident	104 Å²	104	65.9 Å²	65.9	68%	0.675	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-17.7	176.5	-19.9	31.1	0	0	0	114.2
692	R	53.2	Low	72.1	Confident	240 Å²	240	66.4 Å²	66.4	91%	0.906	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-8	178.4	-64.8	179.8	175	158.6	-1.3	113.2	D690	D690-R692 PolarHBondContact O-N 2.74Å; D690-R692 VanDerWaalsContact O-N 3.17Å; D690-R692 WeakPolarHBondContact OD1-CB 3.4Å; D690-R692 PolarHBondContact OD1-N 2.94Å
693	S	55	Low	71.9	Confident	59 Å²	59	69.3 Å²	69.3	41%	0.413	35%	0.349	S	S	.	.			trans	-103.6	-4	-174.7	97	0	0	0	0	115	D690 R695	D690-S693 PolarHBondContact O-N 3.16Å; D690-S693 VanDerWaalsContact O-N 3.14Å; D690-S693 PolarHBondContact O-OG 3.21Å; S693-R695 PolarHBondContact O-N 2.64Å
694	S	66.4	Low	71.9	Confident	15 Å²	15	69.9 Å²	69.9	11%	0.105	35%	0.353	C	S	.	.			trans	-75.9	85.7	-177.4	167.1	0	0	0	0	110.9	K683 S684	K683-S694 WeakPolarHBondContact CE-O 3.11Å; K683-S694 WeakPolarHBondContact CG-OG 3.38Å; S684-S694 PolarHBondContact O-OG 3.07Å
695	R	73.2	Confident	72.1	Confident	210 Å²	210	76.2 Å²	76.2	79%	0.792	38%	0.379	S	S	*	.			trans	-71.4	147.9	167.9	-70.5	-171.3	177.5	-177	-1.2	110.9	S693	S693-R695 PolarHBondContact O-N 2.64Å
696	P	80.2	Confident	72.7	Confident	19 Å²	19	76 Å²	76	12%	0.123	37%	0.373	C	S	.	.			trans	-57	145.8	169.1	-21.7	33.6	0	0	0	111.5	D656 L659 T681	D656-P696 HydrophobicContact CB-CG 4.11Å; D656-P696 VanDerWaalsContact OD1-CB 3.29Å; D656-P696 WeakPolarHBondContact OD1-CB 3.42Å; L659-P696 HydrophobicContact CB-CB 4.45Å; L659-P696 HydrophobicContact CB-CG 4.07Å; L659-P696 HydrophobicContact CD1-CB 4.12Å; T681-P696 HydrophobicContact CG2-CB 3.83Å
697	I	80.8	Confident	73.6	Confident	63 Å²	63	74.5 Å²	74.5	32%	0.323	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	117.1	-178	-55.4	173.4	0	0	0	107.9	T681 V682 L699	T681-I697 CarbonylContact C-O 3.57Å; T681-I697 WeakPolarHBondContact CA-O 3.38Å; V682-I697 PolarHBondContact N-O 3.23Å; V682-I697 PolarHBondContact O-N 3.38Å; I697-L699 HydrophobicContact CG2-CD2 4.14Å
698	H	79.9	Confident	74.6	Confident	27 Å²	27	75.2 Å²	75.2	13%	0.125	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	122.9	172.9	-54.3	-61.5	0	0	0	110.3	F652 D656 T681	F652-H698 AromaticContact CD1-CD2 3.64Å; F652-H698 AromaticContact CD1-CE1 3.61Å; F652-H698 AromaticContact CD1-CG 3.77Å; F652-H698 AromaticContact CD1-ND1 3.73Å; F652-H698 AromaticContact CD1-NE2 3.5Å; F652-H698 HydrophobicContact CE1-CB 4.35Å; F652-H698 AromaticContact CE1-CG 3.92Å; D656-H698 IonicContact OD1-CE1 2.73Å; D656-H698 PolarHBondContact OD1-CE1 3.49Å; D656-H698 IonicContact OD1-NE2 2.77Å; D656-H698 PolarHBondContact OD1-NE2 3.03Å; D656-H698 IonicContact OD2-NE2 2.89Å; T681-H698 WeakPolarHBondContact CG2-ND1 3.34Å; T681-H698 PolarHBondContact OG1-ND1 3.18Å
699	L	82.4	Confident	75.8	Confident	17 Å²	17	79.8 Å²	79.8	9%	0.089	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-87.8	165.7	178.4	-57.3	-176.6	0	0	0	111.7	F680 V682 I697 I719 M782	F680-L699 HydrophobicContact CB-CB 4.1Å; F680-L699 HydrophobicContact CB-CD1 3.81Å; F680-L699 HydrophobicContact CB-CG 4.2Å; F680-L699 PolarHBondContact O-N 3.41Å; V682-L699 HydrophobicContact CG2-CD1 3.93Å; V682-L699 HydrophobicContact CG2-CG 4.39Å; I697-L699 HydrophobicContact CG2-CD2 4.14Å; L699-I719 HydrophobicContact CD1-CD1 3.85Å; L699-I719 HydrophobicContact CD1-CG1 4.05Å; L699-I719 HydrophobicContact CD1-CG2 3.83Å; L699-M782 HydrophobicContact CD1-CE 4.23Å
700	E	79.1	Confident	77.4	Confident	74 Å²	74	74.1 Å²	74.1	35%	0.346	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-61.6	135.9	-179	-159.1	-175.1	167.1	0	0	111.8	R706	E700-R706 VanDerWaalsContact CG-NH1 3.33Å; E700-R706 IonicContact OE1-CZ 3.66Å; E700-R706 IonicContact OE1-NH1 3.77Å; E700-R706 PolarHBondContact OE1-NH1 3.13Å; E700-R706 IonicContact OE1-NH2 3.27Å; E700-R706 PolarHBondContact OE1-NH2 3.34Å; E700-R706 IonicContact OE2-CZ 2.87Å; E700-R706 IonicContact OE2-NH1 3.11Å; E700-R706 PolarHBondContact OE2-NH1 3.16Å; E700-R706 IonicContact OE2-NH2 3.35Å; E700-R706 PolarHBondContact OE2-NH2 3.34Å
701	P	84.4	Confident	78.9	Confident	19 Å²	19	71 Å²	71	12%	0.123	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-59.9	139.3	178.6	-22.1	31	0	0	0	113.2	V673 T677 R706	V673-P701 HydrophobicContact CB-CG 4.45Å; V673-P701 HydrophobicContact CG1-CG 4.14Å; T677-P701 HydrophobicContact CG2-CB 4.09Å; P701-R706 PolarHBondContact O-NH1 3.4Å
702	L	86.3	Confident	80.8	Confident	11 Å²	11	66 Å²	66	6%	0.058	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-95.7	115.8	174.6	-55.7	-175.3	0	0	0	109.9	T677 I678 F680 R706 L707 L712 Y715	T677-L702 WeakPolarHBondContact CA-O 3.36Å; T677-L702 WeakPolarHBondContact CB-O 3.5Å; I678-L702 PolarHBondContact N-O 2.94Å; I678-L702 PolarHBondContact O-N 3.11Å; F680-L702 HydrophobicContact CD2-CD1 4.13Å; F680-L702 HydrophobicContact CE2-CD1 3.63Å; L702-R706 HydrophobicContact CD2-CB 4.4Å; L702-L707 HydrophobicContact CB-CD2 4.25Å; L702-L707 HydrophobicContact CB-CG 4.16Å; L702-L707 HydrophobicContact CD1-CD2 4.02Å; L702-L712 HydrophobicContact CD1-CD1 4.22Å; L702-Y715 HydrophobicContact CD1-CD1 4.29Å; L702-Y715 HydrophobicContact CD1-CD2 3.83Å; L702-Y715 HydrophobicContact CD1-CE2 4.22Å; L702-Y715 HydrophobicContact CD1-CG 3.86Å; L702-Y715 HydrophobicContact CD2-CE1 4.22Å; L702-Y715 HydrophobicContact CD2-CE2 4.46Å
703	D	85.3	Confident	82.6	Confident	62 Å²	62	56.9 Å²	56.9	33%	0.332	27%	0.268	S	S	.	.			trans	-89.2	176	170.9	69.4	0.4	0	0	0	111.3	T677 K705 R706 L707	T677-D703 HydrophobicContact CG2-CB 4.19Å; D703-K705 PolarHBondContact O-N 3.43Å; D703-K705 PolarHBondContact OD1-N 3.26Å; D703-R706 PolarHBondContact O-N 3.38Å; D703-R706 WeakPolarHBondContact OD1-CB 3.27Å; D703-R706 VanDerWaalsContact OD1-CG 3.28Å; D703-R706 WeakPolarHBondContact OD1-CG 3.38Å; D703-R706 PolarHBondContact OD1-N 3.42Å; D703-L707 WeakPolarHBondContact O-CG 3.38Å; D703-L707 PolarHBondContact O-N 2.9Å
704	L	85.3	Confident	84.1	Confident	38 Å²	38	56.1 Å²	56.1	20%	0.199	26%	0.259	C	S	.	.	H	α-helix	trans	-57.1	-39	177.6	179.5	64	0	0	0	112.3	Q628 I629 D632 R706 L707 Q708	Q628-L704 HydrophobicContact CB-CD2 3.98Å; I629-L704 HydrophobicContact CG1-CB 4.04Å; I629-L704 HydrophobicContact CG1-CD1 4.28Å; D632-L704 HydrophobicContact CB-CD1 4.22Å; L704-R706 VanDerWaalsContact C-N 3.34Å; L704-R706 PolarHBondContact O-N 3.29Å; L704-L707 PolarHBondContact O-N 2.91Å; L704-Q708 HydrophobicContact CD1-CG 4.1Å; L704-Q708 HydrophobicContact CG-CG 4.25Å; L704-Q708 WeakPolarHBondContact O-CB 3.29Å; L704-Q708 VanDerWaalsContact O-CG 3.25Å; L704-Q708 WeakPolarHBondContact O-CG 3.5Å; L704-Q708 PolarHBondContact O-N 3.49Å
705	K	86.4	Confident	85.3	Confident	141 Å²	141	56.9 Å²	56.9	61%	0.613	26%	0.26	S	S	*	.	H	α-helix	trans	-63.6	-41.3	-177.1	-174	-179.9	178.2	-177.5	0	111.1	D703 Q709	D703-K705 PolarHBondContact O-N 3.43Å; D703-K705 PolarHBondContact OD1-N 3.26Å; K705-Q709 WeakPolarHBondContact O-CG 3.31Å; K705-Q709 PolarHBondContact O-N 2.96Å
706	R	87.5	Confident	86.2	Confident	72 Å²	72	46.9 Å²	46.9	27%	0.272	22%	0.222	S	C	.	.	H	α-helix	trans	-66.7	-45.4	174	-72.4	173	174.5	175.8	-4.1	111.7	E700 P701 L702 D703 L704 Q708 Q709 K710	E700-R706 VanDerWaalsContact CG-NH1 3.33Å; E700-R706 IonicContact OE1-CZ 3.66Å; E700-R706 IonicContact OE1-NH1 3.77Å; E700-R706 PolarHBondContact OE1-NH1 3.13Å; E700-R706 IonicContact OE1-NH2 3.27Å; E700-R706 PolarHBondContact OE1-NH2 3.34Å; E700-R706 IonicContact OE2-CZ 2.87Å; E700-R706 IonicContact OE2-NH1 3.11Å; E700-R706 PolarHBondContact OE2-NH1 3.16Å; E700-R706 IonicContact OE2-NH2 3.35Å; E700-R706 PolarHBondContact OE2-NH2 3.34Å; P701-R706 PolarHBondContact O-NH1 3.4Å; L702-R706 HydrophobicContact CD2-CB 4.4Å; D703-R706 PolarHBondContact O-N 3.38Å; D703-R706 WeakPolarHBondContact OD1-CB 3.27Å; D703-R706 VanDerWaalsContact OD1-CG 3.28Å; D703-R706 WeakPolarHBondContact OD1-CG 3.38Å; D703-R706 PolarHBondContact OD1-N 3.42Å; L704-R706 VanDerWaalsContact C-N 3.34Å; L704-R706 PolarHBondContact O-N 3.29Å; R706-Q708 PolarHBondContact O-N 2.93Å; R706-Q709 WeakPolarHBondContact O-CB 3.47Å; R706-Q709 PolarHBondContact O-N 3.38Å; R706-K710 PolarHBondContact O-N 3.25Å
707	L	87.2	Confident	86.6	Confident	4 Å²	4	50.8 Å²	50.8	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-66.4	-22.6	179.2	-69.7	171.5	0	0	0	113.7	I629 N635 V637 I678 L702 D703 L704 K710 L712 Y715	I629-L707 HydrophobicContact CD1-CD1 4.25Å; I629-L707 HydrophobicContact CG1-CD1 4.35Å; I629-L707 HydrophobicContact CG2-CD1 3.66Å; N635-L707 HydrophobicContact CB-CB 4.11Å; V637-L707 HydrophobicContact CG2-CD1 4.22Å; I678-L707 HydrophobicContact CD1-CD1 3.99Å; L702-L707 HydrophobicContact CB-CD2 4.25Å; L702-L707 HydrophobicContact CB-CG 4.16Å; L702-L707 HydrophobicContact CD1-CD2 4.02Å; D703-L707 WeakPolarHBondContact O-CG 3.38Å; D703-L707 PolarHBondContact O-N 2.9Å; L704-L707 PolarHBondContact O-N 2.91Å; L707-K710 CarbonylContact C-O 3.56Å; L707-K710 VanDerWaalsContact CA-O 3.28Å; L707-K710 WeakPolarHBondContact CA-O 3.37Å; L707-K710 CarbonylContact O-C 3.43Å; L707-K710 VanDerWaalsContact O-O 3.04Å; L707-L712 HydrophobicContact CD2-CB 4.07Å; L707-L712 HydrophobicContact CD2-CD1 4.21Å; L707-Y715 HydrophobicContact CD2-CD2 4.36Å
708	Q	85.8	Confident	86.9	Confident	99 Å²	99	50.3 Å²	50.3	46%	0.463	23%	0.233	S	C	.	.	H	α-helix	trans	-78.4	-26.4	171.6	-78.6	178	-15.6	0	0	113.4	D632 L704 R706	D632-Q708 WeakPolarHBondContact OD2-CG 3.22Å; D632-Q708 PolarHBondContact OD2-NE2 2.93Å; L704-Q708 HydrophobicContact CD1-CG 4.1Å; L704-Q708 HydrophobicContact CG-CG 4.25Å; L704-Q708 WeakPolarHBondContact O-CB 3.29Å; L704-Q708 VanDerWaalsContact O-CG 3.25Å; L704-Q708 WeakPolarHBondContact O-CG 3.5Å; L704-Q708 PolarHBondContact O-N 3.49Å; R706-Q708 PolarHBondContact O-N 2.93Å
709	Q	88.3	Confident	87.2	Confident	145 Å²	145	49.1 Å²	49.1	68%	0.678	23%	0.227	S	C	*	.	H	α-helix	trans	-78.5	-37.9	174.3	-68.9	172.2	-5.9	0	0	111.1	K705 R706	K705-Q709 WeakPolarHBondContact O-CG 3.31Å; K705-Q709 PolarHBondContact O-N 2.96Å; R706-Q709 WeakPolarHBondContact O-CB 3.47Å; R706-Q709 PolarHBondContact O-N 3.38Å
710	K	88.8	Confident	87.4	Confident	57 Å²	57	48.7 Å²	48.7	25%	0.248	23%	0.226	C	C	.	.	S	Bend	trans	-148.9	130.6	179.5	-179.4	177.5	173.8	114.4	0	109.8	R706 L707 D714 Y715 D718	R706-K710 PolarHBondContact O-N 3.25Å; L707-K710 CarbonylContact C-O 3.56Å; L707-K710 VanDerWaalsContact CA-O 3.28Å; L707-K710 WeakPolarHBondContact CA-O 3.37Å; L707-K710 CarbonylContact O-C 3.43Å; L707-K710 VanDerWaalsContact O-O 3.04Å; K710-D714 HydrophobicContact CD-CB 4.34Å; K710-D714 WeakPolarHBondContact CE-O 3.45Å; K710-D714 HydrophobicContact CG-CB 3.84Å; K710-Y715 HydrophobicContact CB-CD2 4.07Å; K710-Y715 HydrophobicContact CB-CE2 3.6Å; K710-Y715 HydrophobicContact CD-CD1 4.26Å; K710-Y715 HydrophobicContact CD-CD2 4.25Å; K710-Y715 HydrophobicContact CD-CE1 4.22Å; K710-Y715 HydrophobicContact CD-CE2 4.24Å; K710-Y715 HydrophobicContact CD-CG 4.27Å; K710-Y715 HydrophobicContact CG-CD2 3.97Å; K710-Y715 HydrophobicContact CG-CE2 3.99Å; K710-Y715 HydrophobicContact CG-CG 4.42Å; K710-Y715 VanDerWaalsContact O-CD2 3.32Å; K710-Y715 WeakPolarHBondContact O-CD2 3.22Å; K710-Y715 WeakPolarHBondContact O-CE2 3.41Å; K710-D718 VanDerWaalsContact CE-OD2 3.26Å; K710-D718 WeakPolarHBondContact CE-OD2 3.45Å; K710-D718 IonicContact NZ-OD1 3.62Å; K710-D718 PolarHBondContact NZ-OD1 3.02Å; K710-D718 IonicContact NZ-OD2 2.75Å; K710-D718 PolarHBondContact NZ-OD2 3.32Å
711	C	88.7	Confident	87.6	Confident	15 Å²	15	50.6 Å²	50.6	10%	0.101	24%	0.239	C	C	.	.			trans	-71.9	161	-175.4	71.8	0	0	0	0	112.5	R634 K713 D714 Y715	R634-C711 VanDerWaalsContact O-CB 3.22Å; R634-C711 WeakPolarHBondContact O-CB 3.43Å; C711-K713 VanDerWaalsContact C-N 3.32Å; C711-K713 PolarHBondContact O-N 3.41Å; C711-K713 WeakPolarHBondContact SG-CE 3.29Å; C711-K713 WeakPolarHBondContact SG-CG 3.39Å; C711-D714 PolarHBondContact O-N 2.95Å; C711-D714 VanDerWaalsContact O-N 3.09Å; C711-D714 PolarHBondContact SG-OD2 3.46Å; C711-Y715 PolarHBondContact O-N 3.1Å; C711-Y715 VanDerWaalsContact O-N 3.08Å
712	L	91.9	Very high	87.5	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61.7	-37.7	-173.5	-175.8	61.4	0	0	0	112.6	N635 V637 L640 M668 I678 F680 L702 L707 D714 Y715 L716	N635-L712 VanDerWaalsContact O-CB 3.23Å; N635-L712 WeakPolarHBondContact O-CB 3.49Å; N635-L712 PolarHBondContact O-N 3.39Å; V637-L712 HydrophobicContact CG2-CB 4.15Å; V637-L712 HydrophobicContact CG2-CD2 3.86Å; L640-L712 HydrophobicContact CD1-CB 4.14Å; L640-L712 HydrophobicContact CD1-CD2 3.56Å; L640-L712 HydrophobicContact CD1-CG 3.81Å; M668-L712 HydrophobicContact SD-CD1 4.19Å; M668-L712 HydrophobicContact SD-CD2 4.17Å; M668-L712 HydrophobicContact SD-CG 4.14Å; I678-L712 HydrophobicContact CD1-CD2 3.93Å; I678-L712 HydrophobicContact CG2-CD1 4.05Å; I678-L712 HydrophobicContact CG2-CD2 4.44Å; F680-L712 HydrophobicContact CE2-CD1 3.53Å; F680-L712 HydrophobicContact CZ-CD1 3.52Å; L702-L712 HydrophobicContact CD1-CD1 4.22Å; L707-L712 HydrophobicContact CD2-CB 4.07Å; L707-L712 HydrophobicContact CD2-CD1 4.21Å; L712-D714 VanDerWaalsContact C-N 3.28Å; L712-D714 PolarHBondContact O-N 3.07Å; L712-Y715 PolarHBondContact O-N 3.02Å; L712-L716 WeakPolarHBondContact O-CB 3.44Å; L712-L716 PolarHBondContact O-N 2.79Å
713	K	91.1	Very high	87.3	Confident	48 Å²	48	51.8 Å²	51.8	21%	0.209	25%	0.249	C	C	.	.	H	α-helix	trans	-64.2	-32.4	177.4	64.6	170.4	-176.8	-176	0	112.8	N636 C711 R717 L742 L745	N636-K713 VanDerWaalsContact OD1-CD 3.26Å; N636-K713 WeakPolarHBondContact OD1-CD 3.39Å; N636-K713 VanDerWaalsContact OD1-CE 3.29Å; N636-K713 WeakPolarHBondContact OD1-CE 3.26Å; N636-K713 WeakPolarHBondContact OD1-CG 3.5Å; C711-K713 VanDerWaalsContact C-N 3.32Å; C711-K713 PolarHBondContact O-N 3.41Å; C711-K713 WeakPolarHBondContact SG-CE 3.29Å; C711-K713 WeakPolarHBondContact SG-CG 3.39Å; K713-R717 PolarHBondContact O-N 3.39Å; K713-R717 VanDerWaalsContact O-N 3.11Å; K713-L742 HydrophobicContact CB-CD2 4.24Å; K713-L742 WeakPolarHBondContact O-CD2 3.42Å; K713-L745 HydrophobicContact CB-CD1 4.07Å; K713-L745 HydrophobicContact CD-CB 4.5Å
714	D	88	Confident	87.2	Confident	42 Å²	42	56.1 Å²	56.1	23%	0.225	27%	0.265	C	S	.	.	H	α-helix	trans	-81.4	-33.8	-179.7	-65.9	-31.1	0	0	0	110	K710 C711 L712 L716 R717 D718	K710-D714 HydrophobicContact CD-CB 4.34Å; K710-D714 WeakPolarHBondContact CE-O 3.45Å; K710-D714 HydrophobicContact CG-CB 3.84Å; C711-D714 PolarHBondContact O-N 2.95Å; C711-D714 VanDerWaalsContact O-N 3.09Å; C711-D714 PolarHBondContact SG-OD2 3.46Å; L712-D714 VanDerWaalsContact C-N 3.28Å; L712-D714 PolarHBondContact O-N 3.07Å; D714-L716 VanDerWaalsContact C-N 3.33Å; D714-R717 PolarHBondContact O-N 3.42Å; D714-R717 IonicContact OD1-CZ 3.44Å; D714-R717 IonicContact OD1-NH1 3.41Å; D714-R717 PolarHBondContact OD1-NH1 3.43Å; D714-R717 IonicContact OD1-NH2 3.36Å; D714-R717 PolarHBondContact OD1-NH2 3.48Å; D714-D718 PolarHBondContact O-N 2.93Å; D714-D718 VanDerWaalsContact O-OD1 3.14Å
715	Y	90.8	Very high	87.2	Confident	32 Å²	32	54.6 Å²	54.6	13%	0.125	26%	0.257	C	S	.	.	H	α-helix	trans	-59.9	-44.7	167.3	-87.4	-69	0	0	0	111.4	L702 L707 K710 C711 L712 R717 D718 I719	L702-Y715 HydrophobicContact CD1-CD1 4.29Å; L702-Y715 HydrophobicContact CD1-CD2 3.83Å; L702-Y715 HydrophobicContact CD1-CE2 4.22Å; L702-Y715 HydrophobicContact CD1-CG 3.86Å; L702-Y715 HydrophobicContact CD2-CE1 4.22Å; L702-Y715 HydrophobicContact CD2-CE2 4.46Å; L707-Y715 HydrophobicContact CD2-CD2 4.36Å; K710-Y715 HydrophobicContact CB-CD2 4.07Å; K710-Y715 HydrophobicContact CB-CE2 3.6Å; K710-Y715 HydrophobicContact CD-CD1 4.26Å; K710-Y715 HydrophobicContact CD-CD2 4.25Å; K710-Y715 HydrophobicContact CD-CE1 4.22Å; K710-Y715 HydrophobicContact CD-CE2 4.24Å; K710-Y715 HydrophobicContact CD-CG 4.27Å; K710-Y715 HydrophobicContact CG-CD2 3.97Å; K710-Y715 HydrophobicContact CG-CE2 3.99Å; K710-Y715 HydrophobicContact CG-CG 4.42Å; K710-Y715 VanDerWaalsContact O-CD2 3.32Å; K710-Y715 WeakPolarHBondContact O-CD2 3.22Å; K710-Y715 WeakPolarHBondContact O-CE2 3.41Å; C711-Y715 PolarHBondContact O-N 3.1Å; C711-Y715 VanDerWaalsContact O-N 3.08Å; L712-Y715 PolarHBondContact O-N 3.02Å; Y715-R717 VanDerWaalsContact C-N 3.31Å; Y715-R717 PolarHBondContact O-N 3.49Å; Y715-D718 PolarHBondContact O-N 3.01Å; Y715-I719 WeakPolarHBondContact O-CB 3.45Å; Y715-I719 WeakPolarHBondContact O-CD1 3.32Å; Y715-I719 WeakPolarHBondContact O-CG1 3.31Å; Y715-I719 PolarHBondContact O-N 2.9Å
716	L	91.4	Very high	87.2	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-56.6	-44.5	175.3	174.5	65.3	0	0	0	111.9	L666 M668 F680 L712 D714 A720 I728 I738 L741 L742	L666-L716 HydrophobicContact CD1-CD1 3.58Å; L666-L716 HydrophobicContact CD2-CD1 3.65Å; L666-L716 HydrophobicContact CG-CD1 4.22Å; M668-L716 HydrophobicContact CE-CD2 4.37Å; M668-L716 HydrophobicContact SD-CD1 4.36Å; F680-L716 HydrophobicContact CE1-CB 4.26Å; F680-L716 HydrophobicContact CE1-CD1 4.03Å; F680-L716 HydrophobicContact CZ-CB 4.4Å; L712-L716 WeakPolarHBondContact O-CB 3.44Å; L712-L716 PolarHBondContact O-N 2.79Å; D714-L716 VanDerWaalsContact C-N 3.33Å; L716-A720 VanDerWaalsContact O-CB 3.23Å; L716-A720 WeakPolarHBondContact O-CB 3.18Å; L716-A720 PolarHBondContact O-N 3.25Å; L716-I728 HydrophobicContact CD1-CD1 4.21Å; L716-I728 HydrophobicContact CD2-CD1 4.5Å; L716-I738 HydrophobicContact CD1-CG2 4.44Å; L716-I738 HydrophobicContact CD2-CG2 4.31Å; L716-I738 HydrophobicContact CG-CG2 4.1Å; L716-L741 HydrophobicContact CD2-CD2 3.73Å; L716-L742 HydrophobicContact CD2-CD2 4.35Å
717	R	89.4	Confident	87.4	Confident	100 Å²	100	56.1 Å²	56.1	38%	0.377	26%	0.264	S	S	.	.	H	α-helix	trans	-61.6	-52.9	177	-171	-174.6	-53	133.5	22.1	111.7	K713 D714 Y715 I719 A720 D721 L742	K713-R717 PolarHBondContact O-N 3.39Å; K713-R717 VanDerWaalsContact O-N 3.11Å; D714-R717 PolarHBondContact O-N 3.42Å; D714-R717 IonicContact OD1-CZ 3.44Å; D714-R717 IonicContact OD1-NH1 3.41Å; D714-R717 PolarHBondContact OD1-NH1 3.43Å; D714-R717 IonicContact OD1-NH2 3.36Å; D714-R717 PolarHBondContact OD1-NH2 3.48Å; Y715-R717 VanDerWaalsContact C-N 3.31Å; Y715-R717 PolarHBondContact O-N 3.49Å; R717-I719 VanDerWaalsContact C-N 3.31Å; R717-I719 PolarHBondContact O-N 2.75Å; R717-A720 PolarHBondContact O-N 2.95Å; R717-D721 WeakPolarHBondContact O-CB 3.25Å; R717-D721 VanDerWaalsContact O-CG 3.31Å; R717-D721 PolarHBondContact O-N 2.98Å; R717-L742 HydrophobicContact CB-CD1 3.89Å; R717-L742 HydrophobicContact CG-CD1 3.91Å
718	D	86.9	Confident	87.7	Confident	54 Å²	54	56 Å²	56	29%	0.289	26%	0.263	S	S	.	.	H	α-helix	trans	-60.1	-40.9	-178.5	-76.1	30.1	0	0	0	112.4	K710 D714 Y715 A722	K710-D718 VanDerWaalsContact CE-OD2 3.26Å; K710-D718 WeakPolarHBondContact CE-OD2 3.45Å; K710-D718 IonicContact NZ-OD1 3.62Å; K710-D718 PolarHBondContact NZ-OD1 3.02Å; K710-D718 IonicContact NZ-OD2 2.75Å; K710-D718 PolarHBondContact NZ-OD2 3.32Å; D714-D718 PolarHBondContact O-N 2.93Å; D714-D718 VanDerWaalsContact O-OD1 3.14Å; Y715-D718 PolarHBondContact O-N 3.01Å; D718-A722 WeakPolarHBondContact O-CB 3.47Å; D718-A722 PolarHBondContact O-N 3.44Å
719	I	85.9	Confident	88	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-67.1	-45	178.4	-67.3	164.9	0	0	0	110.2	F680 V682 L699 Y715 R717 D721 A722 E723 M782	F680-I719 HydrophobicContact CB-CD1 4.24Å; F680-I719 HydrophobicContact CD1-CD1 3.65Å; F680-I719 HydrophobicContact CD2-CD1 3.78Å; F680-I719 HydrophobicContact CE1-CD1 3.83Å; F680-I719 HydrophobicContact CE2-CD1 3.97Å; F680-I719 HydrophobicContact CG-CD1 3.62Å; F680-I719 HydrophobicContact CZ-CD1 3.99Å; V682-I719 HydrophobicContact CG2-CG2 3.67Å; L699-I719 HydrophobicContact CD1-CD1 3.85Å; L699-I719 HydrophobicContact CD1-CG1 4.05Å; L699-I719 HydrophobicContact CD1-CG2 3.83Å; Y715-I719 WeakPolarHBondContact O-CB 3.45Å; Y715-I719 WeakPolarHBondContact O-CD1 3.32Å; Y715-I719 WeakPolarHBondContact O-CG1 3.31Å; Y715-I719 PolarHBondContact O-N 2.9Å; R717-I719 VanDerWaalsContact C-N 3.31Å; R717-I719 PolarHBondContact O-N 2.75Å; I719-D721 VanDerWaalsContact C-N 3.32Å; I719-D721 PolarHBondContact O-N 3.47Å; I719-A722 PolarHBondContact O-N 3.47Å; I719-E723 HydrophobicContact CG2-CG 4.41Å; I719-E723 WeakPolarHBondContact O-CB 3.38Å; I719-E723 PolarHBondContact O-N 3.4Å; I719-M782 HydrophobicContact CD1-CE 4.45Å; I719-M782 HydrophobicContact CD1-SD 4.32Å; I719-M782 HydrophobicContact CG1-CE 3.63Å; I719-M782 HydrophobicContact CG1-SD 4.01Å
720	A	86.4	Confident	88.1	Confident	7 Å²	7	44.6 Å²	44.6	6%	0.058	21%	0.21	C	C	.	.	H	α-helix	trans	-59.9	-43	177.7	0	0	0	0	0	111.8	L716 R717 K724 V725 I738	L716-A720 VanDerWaalsContact O-CB 3.23Å; L716-A720 WeakPolarHBondContact O-CB 3.18Å; L716-A720 PolarHBondContact O-N 3.25Å; R717-A720 PolarHBondContact O-N 2.95Å; A720-K724 CarbonylContact O-C 3.49Å; A720-K724 VanDerWaalsContact O-CA 3.23Å; A720-K724 WeakPolarHBondContact O-CA 3.34Å; A720-K724 PolarHBondContact O-N 3.45Å; A720-V725 WeakPolarHBondContact CB-O 3.28Å; A720-V725 PolarHBondContact O-N 2.68Å; A720-I738 HydrophobicContact CB-CD1 3.66Å; A720-I738 HydrophobicContact CB-CG2 4.16Å
721	D	84.1	Confident	88	Confident	114 Å²	114	43.4 Å²	43.4	61%	0.61	21%	0.211	S	C	*	.	H	α-helix	trans	-69.6	-45.1	179.2	-69.3	-20.9	0	0	0	111.9	R717 I719 K724	R717-D721 WeakPolarHBondContact O-CB 3.25Å; R717-D721 VanDerWaalsContact O-CG 3.31Å; R717-D721 PolarHBondContact O-N 2.98Å; I719-D721 VanDerWaalsContact C-N 3.32Å; I719-D721 PolarHBondContact O-N 3.47Å; D721-K724 PolarHBondContact O-N 3.46Å
722	A	81.7	Confident	87.8	Confident	40 Å²	40	48.5 Å²	48.5	33%	0.331	24%	0.237	S	C	.	.	H	α-helix	trans	-66	-46.4	-178.9	0	0	0	0	0	112.1	D718 I719 K724	D718-A722 WeakPolarHBondContact O-CB 3.47Å; D718-A722 PolarHBondContact O-N 3.44Å; I719-A722 PolarHBondContact O-N 3.47Å; A722-K724 VanDerWaalsContact C-N 3.32Å
723	E	82.1	Confident	87.4	Confident	15 Å²	15	54.4 Å²	54.4	7%	0.07	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	1.6	-177.9	-61.2	-64.9	148.5	0	0	112.4	V682 S684 H687 I719 V725	V682-E723 HydrophobicContact CG1-CB 3.9Å; V682-E723 HydrophobicContact CG1-CG 4.13Å; S684-E723 VanDerWaalsContact CB-O 3.27Å; S684-E723 WeakPolarHBondContact CB-O 3.35Å; S684-E723 PolarHBondContact OG-O 2.83Å; H687-E723 IonicContact CD2-OE2 3.5Å; H687-E723 PolarHBondContact CD2-OE2 2.81Å; H687-E723 IonicContact NE2-OE2 3.85Å; H687-E723 PolarHBondContact NE2-OE2 2.84Å; I719-E723 HydrophobicContact CG2-CG 4.41Å; I719-E723 WeakPolarHBondContact O-CB 3.38Å; I719-E723 PolarHBondContact O-N 3.4Å; E723-V725 VanDerWaalsContact C-N 3.27Å; E723-V725 HydrophobicContact CB-CG2 3.97Å; E723-V725 PolarHBondContact O-N 3.37Å
724	K	83.1	Confident	87.2	Confident	154 Å²	154	57.5 Å²	57.5	67%	0.67	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	39.3	-176.8	-54.4	-179.4	-179.8	172.5	0	114	A686 A720 D721 A722	A686-K724 HydrophobicContact CB-CB 4.14Å; A686-K724 HydrophobicContact CB-CD 4.07Å; A686-K724 HydrophobicContact CB-CG 4.22Å; A720-K724 CarbonylContact O-C 3.49Å; A720-K724 VanDerWaalsContact O-CA 3.23Å; A720-K724 WeakPolarHBondContact O-CA 3.34Å; A720-K724 PolarHBondContact O-N 3.45Å; D721-K724 PolarHBondContact O-N 3.46Å; A722-K724 VanDerWaalsContact C-N 3.32Å
725	V	86.2	Confident	87.2	Confident	6 Å²	6	58.6 Å²	58.6	4%	0.036	29%	0.288	C	S	.	.			trans	-96.2	130.6	179.2	178.7	0	0	0	0	110.3	L666 V682 A720 E723 Y727 I738	L666-V725 HydrophobicContact CB-CG1 4.4Å; L666-V725 HydrophobicContact CD2-CG1 4.28Å; V682-V725 HydrophobicContact CG1-CB 4.43Å; V682-V725 HydrophobicContact CG1-CG2 3.44Å; V682-V725 VanDerWaalsContact CG1-CG2 3.44Å; A720-V725 WeakPolarHBondContact CB-O 3.28Å; A720-V725 PolarHBondContact O-N 2.68Å; E723-V725 VanDerWaalsContact C-N 3.27Å; E723-V725 HydrophobicContact CB-CG2 3.97Å; E723-V725 PolarHBondContact O-N 3.37Å; V725-Y727 WeakPolarHBondContact CG1-O 3.3Å; V725-I738 HydrophobicContact CG1-CD1 4.41Å; V725-I738 WeakPolarHBondContact O-CD1 3.48Å
726	K	86.6	Confident	87.3	Confident	141 Å²	141	59.2 Å²	59.2	61%	0.613	29%	0.293	S	S	*	.			trans	-100.8	-16.1	-175.3	-64.7	-170.8	177.3	-171.3	0	114.6	I738	K726-I738 PolarHBondContact O-N 3.39Å
727	Y	91.9	Very high	87.3	Confident	104 Å²	104	61.9 Å²	61.9	41%	0.408	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	142.5	-168.9	-57.3	-74.4	0	0	0	112.5	A665 L666 V725 V735 I736	A665-Y727 CarbonylContact C-O 3.58Å; A665-Y727 WeakPolarHBondContact CA-O 3.3Å; L666-Y727 PolarHBondContact N-O 3.39Å; V725-Y727 WeakPolarHBondContact CG1-O 3.3Å; Y727-V735 VanDerWaalsContact CB-CG1 3.5Å; Y727-V735 HydrophobicContact CD1-CG1 3.76Å; Y727-V735 HydrophobicContact CG-CG1 3.71Å; Y727-I736 CarbonylContact C-O 3.58Å; Y727-I736 VanDerWaalsContact CA-O 3.3Å; Y727-I736 WeakPolarHBondContact CA-O 3.13Å
728	I	93	Very high	87.3	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	137.4	169.4	-175.2	163.4	0	0	0	109.3	F645 L666 M668 L716 I736 I738 L741	F645-I728 HydrophobicContact CB-CD1 4.39Å; F645-I728 HydrophobicContact CD1-CD1 4.3Å; F645-I728 HydrophobicContact CD1-CG2 3.91Å; F645-I728 HydrophobicContact CE1-CG2 4.04Å; L666-I728 HydrophobicContact CD1-CD1 4.26Å; L666-I728 HydrophobicContact CD1-CG1 4.46Å; L666-I728 HydrophobicContact CD2-CB 4.06Å; L666-I728 HydrophobicContact CD2-CG1 4.4Å; L666-I728 HydrophobicContact CG-CB 4.23Å; L666-I728 HydrophobicContact CG-CD1 4.39Å; L666-I728 HydrophobicContact CG-CG1 4.09Å; M668-I728 HydrophobicContact CE-CD1 3.39Å; M668-I728 HydrophobicContact CG-CD1 4.16Å; M668-I728 HydrophobicContact SD-CD1 4.34Å; L716-I728 HydrophobicContact CD1-CD1 4.21Å; L716-I728 HydrophobicContact CD2-CD1 4.5Å; I728-I736 HydrophobicContact CG2-CB 4.21Å; I728-I736 PolarHBondContact N-O 3.42Å; I728-I736 PolarHBondContact O-N 3.12Å; I728-I738 HydrophobicContact CB-CG1 4.14Å; I728-I738 HydrophobicContact CG2-CG1 4.29Å; I728-L741 HydrophobicContact CD1-CD2 4.33Å; I728-L741 HydrophobicContact CG2-CD2 4.02Å
729	L	92.9	Very high	87.3	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	129.8	172.1	-167.5	70.7	0	0	0	109.4	M658 L666 I667 E733 V735	M658-L729 HydrophobicContact CB-CD2 4.2Å; M658-L729 HydrophobicContact CE-CD2 3.74Å; L666-L729 PolarHBondContact O-N 2.73Å; I667-L729 HydrophobicContact CD1-CD2 3.82Å; I667-L729 HydrophobicContact CG1-CB 3.89Å; I667-L729 HydrophobicContact CG1-CD2 4.11Å; L729-E733 WeakPolarHBondContact CD1-O 3.49Å; L729-V735 HydrophobicContact CD1-CG2 3.8Å
730	T	89.9	Confident	87.4	Confident	4 Å²	4	64.9 Å²	64.9	3%	0.025	33%	0.332	C	S	.	.			trans	-89.1	169.8	178.7	67.7	0	0	0	0	112.2	F645 N732 E733 E734 I736	F645-T730 HydrophobicContact CD1-CG2 3.76Å; F645-T730 HydrophobicContact CE1-CG2 3.68Å; F645-T730 HydrophobicContact CZ-CG2 4.5Å; T730-N732 PolarHBondContact O-N 3.42Å; T730-N732 VanDerWaalsContact O-N 3.14Å; T730-N732 PolarHBondContact OG1-N 2.69Å; T730-E733 PolarHBondContact O-N 3.43Å; T730-E734 PolarHBondContact N-O 3Å; T730-E734 WeakPolarHBondContact OG1-CB 3.35Å; T730-E734 PolarHBondContact OG1-N 2.86Å; T730-E734 VanDerWaalsContact OG1-N 3.14Å; T730-E734 PolarHBondContact OG1-O 2.85Å; T730-I736 HydrophobicContact CG2-CD1 3.55Å; T730-I736 HydrophobicContact CG2-CG1 3.94Å
731	A	85.2	Confident	87.5	Confident	32 Å²	32	64.7 Å²	64.7	26%	0.264	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-18.3	172.6	0	0	0	0	0	114.2	G644 E733	G644-A731 WeakPolarHBondContact O-CB 3.32Å; G644-A731 PolarHBondContact O-N 3.28Å; A731-E733 VanDerWaalsContact C-N 3.33Å
732	N	84.4	Confident	87.7	Confident	123 Å²	123	60.3 Å²	60.3	66%	0.658	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	12.1	176	-62.3	-21.1	0	0	0	112.5	T730 E734	T730-N732 PolarHBondContact O-N 3.42Å; T730-N732 VanDerWaalsContact O-N 3.14Å; T730-N732 PolarHBondContact OG1-N 2.69Å; N732-E734 HydrophobicContact CB-CG 4.12Å; N732-E734 PolarHBondContact O-N 3.03Å
733	E	83.7	Confident	87.8	Confident	124 Å²	124	64.1 Å²	64.1	58%	0.579	32%	0.317	S	S	*	.	S	Bend	trans	61.2	18.3	-173.1	-49.6	-167.4	166.7	0	0	114.4	M658 L729 T730 A731	M658-E733 HydrophobicContact CE-CG 3.71Å; L729-E733 WeakPolarHBondContact CD1-O 3.49Å; T730-E733 PolarHBondContact O-N 3.43Å; A731-E733 VanDerWaalsContact C-N 3.33Å
734	E	87.5	Confident	87.8	Confident	112 Å²	112	66.3 Å²	66.3	52%	0.523	33%	0.334	S	S	.	.			trans	-84.3	138.4	175.3	-59.3	179.6	166.4	0	0	110.8	T730 N732	T730-E734 PolarHBondContact N-O 3Å; T730-E734 WeakPolarHBondContact OG1-CB 3.35Å; T730-E734 PolarHBondContact OG1-N 2.86Å; T730-E734 VanDerWaalsContact OG1-N 3.14Å; T730-E734 PolarHBondContact OG1-O 2.85Å; N732-E734 HydrophobicContact CB-CG 4.12Å; N732-E734 PolarHBondContact O-N 3.03Å
735	V	88.9	Confident	87.8	Confident	65 Å²	65	59 Å²	59	39%	0.394	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	114.7	178.6	-176.4	0	0	0	0	109.1	H662 Y727 L729	H662-V735 VanDerWaalsContact CE1-CG2 3.49Å; H662-V735 WeakPolarHBondContact CE1-CG2 3.48Å; Y727-V735 VanDerWaalsContact CB-CG1 3.5Å; Y727-V735 HydrophobicContact CD1-CG1 3.76Å; Y727-V735 HydrophobicContact CG-CG1 3.71Å; L729-V735 HydrophobicContact CD1-CG2 3.8Å
736	I	91.4	Very high	87.3	Confident	46 Å²	46	65.7 Å²	65.7	24%	0.236	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	142.4	-176.3	-61.3	-172.8	0	0	0	110.1	F645 Y727 I728 T730	F645-I736 HydrophobicContact CE1-CB 4.01Å; F645-I736 HydrophobicContact CE1-CD1 3.63Å; F645-I736 HydrophobicContact CE1-CG1 4.3Å; F645-I736 HydrophobicContact CE1-CG2 3.99Å; F645-I736 HydrophobicContact CZ-CD1 3.73Å; F645-I736 HydrophobicContact CZ-CG2 4.27Å; Y727-I736 CarbonylContact C-O 3.58Å; Y727-I736 VanDerWaalsContact CA-O 3.3Å; Y727-I736 WeakPolarHBondContact CA-O 3.13Å; I728-I736 HydrophobicContact CG2-CB 4.21Å; I728-I736 PolarHBondContact N-O 3.42Å; I728-I736 PolarHBondContact O-N 3.12Å; T730-I736 HydrophobicContact CG2-CD1 3.55Å; T730-I736 HydrophobicContact CG2-CG1 3.94Å
737	N	91.6	Very high	85.9	Confident	56 Å²	56	64.9 Å²	64.9	30%	0.299	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	129.9	175.4	-176.8	-68.6	0	0	0	110.8	E739 S740 L741	N737-E739 PolarHBondContact O-N 3.27Å; N737-E739 WeakPolarHBondContact OD1-CB 3.48Å; N737-E739 PolarHBondContact OD1-N 2.93Å; N737-S740 PolarHBondContact O-N 2.63Å; N737-S740 PolarHBondContact OD1-N 2.95Å; N737-L741 PolarHBondContact O-N 3.18Å; N737-L741 VanDerWaalsContact O-N 3.16Å
738	I	89.4	Confident	83.6	Confident	6 Å²	6	69 Å²	69	3%	0.031	36%	0.357	C	S	.	.	H	α-helix	trans	-65.7	-37.1	-174.9	-62.6	167.6	0	0	0	111.9	L666 L716 A720 V725 K726 I728 S740 L741 L742	L666-I738 HydrophobicContact CD2-CD1 3.27Å; L666-I738 HydrophobicContact CD2-CG1 4.05Å; L716-I738 HydrophobicContact CD1-CG2 4.44Å; L716-I738 HydrophobicContact CD2-CG2 4.31Å; L716-I738 HydrophobicContact CG-CG2 4.1Å; A720-I738 HydrophobicContact CB-CD1 3.66Å; A720-I738 HydrophobicContact CB-CG2 4.16Å; V725-I738 HydrophobicContact CG1-CD1 4.41Å; V725-I738 WeakPolarHBondContact O-CD1 3.48Å; K726-I738 PolarHBondContact O-N 3.39Å; I728-I738 HydrophobicContact CB-CG1 4.14Å; I728-I738 HydrophobicContact CG2-CG1 4.29Å; I738-S740 VanDerWaalsContact C-N 3.34Å; I738-S740 PolarHBondContact O-N 3.13Å; I738-L741 WeakPolarHBondContact O-CB 3.29Å; I738-L741 PolarHBondContact O-N 3.11Å; I738-L742 HydrophobicContact CG2-CD1 3.88Å; I738-L742 HydrophobicContact CG2-CG 4.1Å; I738-L742 WeakPolarHBondContact O-CB 3.43Å; I738-L742 VanDerWaalsContact O-CG 3.29Å; I738-L742 WeakPolarHBondContact O-CG 3.43Å; I738-L742 PolarHBondContact O-N 2.65Å
739	E	88	Confident	81.1	Confident	144 Å²	144	72.5 Å²	72.5	67%	0.673	39%	0.393	S	S	*	.	H	α-helix	trans	-62.6	-44	179	-62.5	177	170.2	0	0	110.6	N737 L741 L742 E743	N737-E739 PolarHBondContact O-N 3.27Å; N737-E739 WeakPolarHBondContact OD1-CB 3.48Å; N737-E739 PolarHBondContact OD1-N 2.93Å; E739-L741 VanDerWaalsContact C-N 3.34Å; E739-L741 PolarHBondContact O-N 3.44Å; E739-L742 PolarHBondContact O-N 3.19Å; E739-E743 WeakPolarHBondContact O-CG 3.3Å; E739-E743 PolarHBondContact O-N 3.07Å
740	S	87.7	Confident	78.3	Confident	69 Å²	69	77.9 Å²	77.9	48%	0.483	43%	0.426	S	S	.	.	H	α-helix	trans	-61.5	-40.9	175.7	-178.3	0	0	0	0	112.3	N737 I738 E743 S744	N737-S740 PolarHBondContact O-N 2.63Å; N737-S740 PolarHBondContact OD1-N 2.95Å; I738-S740 VanDerWaalsContact C-N 3.34Å; I738-S740 PolarHBondContact O-N 3.13Å; S740-E743 PolarHBondContact O-N 3.49Å; S740-S744 PolarHBondContact O-N 3.18Å; S740-S744 VanDerWaalsContact O-N 3.1Å
741	L	87.9	Confident	75.6	Confident	2 Å²	2	86.7 Å²	86.7	1%	0.01	46%	0.464	C	S	.	.	H	α-helix	trans	-61.6	-50.1	172.9	170	57.9	0	0	0	111.3	L640 M643 F645 L716 I728 N737 I738 E739 E743 S744 L745	L640-L741 HydrophobicContact CD2-CD1 4.2Å; L640-L741 HydrophobicContact CD2-CD2 4.35Å; M643-L741 HydrophobicContact CE-CD1 4.17Å; F645-L741 HydrophobicContact CB-CD2 4.48Å; F645-L741 HydrophobicContact CD1-CD1 4.26Å; F645-L741 HydrophobicContact CD1-CD2 3.65Å; F645-L741 HydrophobicContact CD2-CD1 3.54Å; F645-L741 HydrophobicContact CD2-CD2 4.24Å; F645-L741 HydrophobicContact CE1-CD1 4.02Å; F645-L741 HydrophobicContact CE1-CD2 3.84Å; F645-L741 HydrophobicContact CE1-CG 4.35Å; F645-L741 HydrophobicContact CE2-CD1 3.31Å; F645-L741 HydrophobicContact CE2-CD2 4.46Å; F645-L741 HydrophobicContact CE2-CG 4.43Å; F645-L741 HydrophobicContact CG-CD1 4.05Å; F645-L741 HydrophobicContact CG-CD2 3.86Å; F645-L741 HydrophobicContact CZ-CD1 3.57Å; F645-L741 HydrophobicContact CZ-CD2 4.28Å; F645-L741 HydrophobicContact CZ-CG 4.33Å; L716-L741 HydrophobicContact CD2-CD2 3.73Å; I728-L741 HydrophobicContact CD1-CD2 4.33Å; I728-L741 HydrophobicContact CG2-CD2 4.02Å; N737-L741 PolarHBondContact O-N 3.18Å; N737-L741 VanDerWaalsContact O-N 3.16Å; I738-L741 WeakPolarHBondContact O-CB 3.29Å; I738-L741 PolarHBondContact O-N 3.11Å; E739-L741 VanDerWaalsContact C-N 3.34Å; E739-L741 PolarHBondContact O-N 3.44Å; L741-E743 PolarHBondContact O-N 2.84Å; L741-S744 PolarHBondContact O-N 3.19Å; L741-S744 VanDerWaalsContact O-N 3.08Å; L741-S744 PolarHBondContact O-OG 2.9Å; L741-L745 HydrophobicContact CD1-CD1 3.85Å; L741-L745 HydrophobicContact CD1-CG 4.11Å; L741-L745 HydrophobicContact CG-CD1 4.05Å; L741-L745 WeakPolarHBondContact O-CG 3.21Å; L741-L745 PolarHBondContact O-N 2.78Å; L741-L745 VanDerWaalsContact O-N 3.14Å
742	L	88.3	Confident	73.3	Confident	22 Å²	22	90.9 Å²	90.9	12%	0.115	49%	0.488	C	S	.	.	H	α-helix	trans	-60.9	-34.2	-179.2	-70.5	174.6	0	0	0	111.8	K713 L716 R717 I738 E739 L745 K746	K713-L742 HydrophobicContact CB-CD2 4.24Å; K713-L742 WeakPolarHBondContact O-CD2 3.42Å; L716-L742 HydrophobicContact CD2-CD2 4.35Å; R717-L742 HydrophobicContact CB-CD1 3.89Å; R717-L742 HydrophobicContact CG-CD1 3.91Å; I738-L742 HydrophobicContact CG2-CD1 3.88Å; I738-L742 HydrophobicContact CG2-CG 4.1Å; I738-L742 WeakPolarHBondContact O-CB 3.43Å; I738-L742 VanDerWaalsContact O-CG 3.29Å; I738-L742 WeakPolarHBondContact O-CG 3.43Å; I738-L742 PolarHBondContact O-N 2.65Å; E739-L742 PolarHBondContact O-N 3.19Å; L742-L745 PolarHBondContact O-N 3.03Å; L742-K746 PolarHBondContact O-N 3.48Å
743	E	84.3	Confident	70.9	Confident	121 Å²	121	94.1 Å²	94.1	57%	0.565	50%	0.499	S	S	*	.	H	α-helix	trans	-64.6	-44.5	172.1	-75	-179.6	167	0	0	112.7	E739 S740 L741 L745 K746	E739-E743 WeakPolarHBondContact O-CG 3.3Å; E739-E743 PolarHBondContact O-N 3.07Å; S740-E743 PolarHBondContact O-N 3.49Å; L741-E743 PolarHBondContact O-N 2.84Å; E743-L745 PolarHBondContact O-N 3.1Å; E743-L745 VanDerWaalsContact O-N 3.17Å; E743-K746 WeakPolarHBondContact O-CB 3.47Å; E743-K746 PolarHBondContact O-N 3.2Å; E743-K746 VanDerWaalsContact O-N 3.09Å
744	S	82.8	Confident	68.4	Low	60 Å²	60	95.1 Å²	95.1	42%	0.42	51%	0.509	S	S	.	.	H	α-helix	trans	-63.4	-20.1	175.8	78.7	0	0	0	0	113.7	K639 S740 L741	K639-S744 PolarHBondContact NZ-O 3.34Å; S740-S744 PolarHBondContact O-N 3.18Å; S740-S744 VanDerWaalsContact O-N 3.1Å; L741-S744 PolarHBondContact O-N 3.19Å; L741-S744 VanDerWaalsContact O-N 3.08Å; L741-S744 PolarHBondContact O-OG 2.9Å
745	L	81.1	Confident	65.9	Low	1 Å²	1	95.7 Å²	95.7	1%	0.005	52%	0.522	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-5.1	178.1	-65	172.1	0	0	0	113.7	K639 L640 M643 K713 L741 L742 E743 E747	K639-L745 HydrophobicContact CD-CD2 3.7Å; K639-L745 HydrophobicContact CG-CD2 4.09Å; L640-L745 HydrophobicContact CD2-CD1 3.74Å; L640-L745 HydrophobicContact CD2-CD2 4.44Å; L640-L745 HydrophobicContact CG-CD1 4.37Å; M643-L745 HydrophobicContact SD-CD2 3.9Å; K713-L745 HydrophobicContact CB-CD1 4.07Å; K713-L745 HydrophobicContact CD-CB 4.5Å; L741-L745 HydrophobicContact CD1-CD1 3.85Å; L741-L745 HydrophobicContact CD1-CG 4.11Å; L741-L745 HydrophobicContact CG-CD1 4.05Å; L741-L745 WeakPolarHBondContact O-CG 3.21Å; L741-L745 PolarHBondContact O-N 2.78Å; L741-L745 VanDerWaalsContact O-N 3.14Å; L742-L745 PolarHBondContact O-N 3.03Å; E743-L745 PolarHBondContact O-N 3.1Å; E743-L745 VanDerWaalsContact O-N 3.17Å; L745-E747 PolarHBondContact O-N 3.35Å
746	K	75.7	Confident	63.2	Low	146 Å²	146	98 Å²	98	64%	0.635	54%	0.542	S	S	*	.			trans	-68.4	118.8	171.4	-69.7	174.9	-176.5	168.4	0	108.8	L742 E743 L748	L742-K746 PolarHBondContact O-N 3.48Å; E743-K746 WeakPolarHBondContact O-CB 3.47Å; E743-K746 PolarHBondContact O-N 3.2Å; E743-K746 VanDerWaalsContact O-N 3.09Å; K746-L748 PolarHBondContact O-N 3.41Å
747	E	58.5	Low	60.3	Low	125 Å²	125	104.3 Å²	104.3	58%	0.584	57%	0.57	S	S	*	*			trans	-73.1	123.2	172.4	-70.6	179.9	179	0	0	109.1	L745 G749	L745-E747 PolarHBondContact O-N 3.35Å; E747-G749 VanDerWaalsContact C-N 3.25Å; E747-G749 PolarHBondContact O-N 2.95Å
748	L	42.9	Very low	57.3	Low	190 Å²	190	107 Å²	107	100%	0.995	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	84.2	167.2	-82.3	156.3	0	0	0	108.6	K746	K746-L748 PolarHBondContact O-N 3.41Å
749	G	39.8	Very low	54.3	Low	73 Å²	73	117.5 Å²	117.5	75%	0.753	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	162.6	-8.8	171.3	0	0	0	0	0	120.4	E747	E747-G749 VanDerWaalsContact C-N 3.25Å; E747-G749 PolarHBondContact O-N 2.95Å
750	V	36	Very low	51.2	Low	115 Å²	115	119.8 Å²	119.8	70%	0.697	64%	0.643	S	S	*	*			trans	-116.6	119	-177.7	-172	0	0	0	0	110.4
751	K	32.8	Very low	48.3	Very low	188 Å²	188	123.6 Å²	123.6	82%	0.817	66%	0.657	S	S	*	*			trans	-54.8	139.5	171.8	-85.1	-179.7	174.5	178.2	0	109.3	E753	K751-E753 PolarHBondContact O-N 3.04Å; K751-E753 VanDerWaalsContact O-N 3.09Å
752	P	36.7	Very low	45.2	Very low	120 Å²	120	129.1 Å²	129.1	78%	0.779	70%	0.696	S	S	*	*			trans	-63.6	115.1	175.3	26	-30.8	0	0	0	108.9
753	E	33.2	Very low	42.2	Very low	191 Å²	191	131.8 Å²	131.8	89%	0.893	72%	0.716	S	S	*	*			trans	-67.6	140.1	157.9	-74.5	-164.2	157.6	0	0	108.2	K751	K751-E753 PolarHBondContact O-N 3.04Å; K751-E753 VanDerWaalsContact O-N 3.09Å
754	N	31.3	Very low	39.3	Very low	145 Å²	145	133.8 Å²	133.8	78%	0.775	73%	0.73	S	S	*	*			trans	-45.4	149.8	-170.7	-70.6	-36.4	0	0	0	114.1	S756	N754-S756 PolarHBondContact O-N 2.92Å
755	P	34.8	Very low	36.8	Very low	124 Å²	124	135.8 Å²	135.8	81%	0.805	74%	0.735	S	S	*	*			trans	-61.5	104.6	174.4	26.9	-32.1	0	0	0	108.9	E757	P755-E757 PolarHBondContact O-N 2.88Å
756	S	32.8	Very low	34.3	Very low	115 Å²	115	142.4 Å²	142.4	80%	0.804	78%	0.776	S	S	*	*			trans	-61.8	117.9	172.7	47.1	0	0	0	0	108.9	N754 S758	N754-S756 PolarHBondContact O-N 2.92Å; S756-S758 PolarHBondContact O-N 2.93Å
757	E	31.2	Very low	32.1	Very low	177 Å²	177	143.1 Å²	143.1	83%	0.827	78%	0.781	S	S	*	*			trans	-38.8	122	177	-65.8	170.9	153.4	0	0	112.3	P755 R759	P755-E757 PolarHBondContact O-N 2.88Å; E757-R759 PolarHBondContact O-N 3.3Å; E757-R759 VanDerWaalsContact O-N 3.09Å
758	S	27.9	Very low	30.7	Very low	114 Å²	114	147 Å²	147	80%	0.797	80%	0.802	S	S	*	*			trans	-57.4	109	166	51.6	0	0	0	0	109.5	S756	S756-S758 PolarHBondContact O-N 2.93Å
759	R	26.8	Very low	30.3	Very low	226 Å²	226	140.5 Å²	140.5	85%	0.853	78%	0.781	S	S	*	*			trans	-82.2	120.1	168.1	-81.4	-175.9	175	-178.7	-1.5	109.9	E757	E757-R759 PolarHBondContact O-N 3.3Å; E757-R759 VanDerWaalsContact O-N 3.09Å
760	E	22.9	Very low	29.9	Very low	192 Å²	192	143.4 Å²	143.4	90%	0.897	78%	0.78	S	S	*	*			trans	-70.1	128.5	172.7	-74.6	-178.8	153.4	0	0	111
761	I	26.3	Very low	29.9	Very low	149 Å²	149	145.3 Å²	145.3	76%	0.764	78%	0.784	S	S	*	*			trans	-134.9	117.9	164.9	-57.8	178	0	0	0	107.3
762	S	23.4	Very low	30	Very low	118 Å²	118	143.2 Å²	143.2	83%	0.825	78%	0.782	S	S	*	*			trans	-80.9	143.9	-179.8	53	0	0	0	0	112.8
763	S	25.3	Very low	29.8	Very low	78 Å²	78	142.9 Å²	142.9	55%	0.545	78%	0.778	S	S	.	*			trans	-146.6	133.8	170	176.2	0	0	0	0	110.5
764	N	23.3	Very low	29.6	Very low	162 Å²	162	142.1 Å²	142.1	87%	0.866	78%	0.776	S	S	*	*			trans	-79.8	134.5	178.1	-65.4	-23.3	0	0	0	111.1
765	I	30.2	Very low	29.5	Very low	102 Å²	102	142 Å²	142	52%	0.523	77%	0.771	S	S	.	*			trans	-130.4	125.5	164.6	-64.5	177	0	0	0	108.3
766	T	27.5	Very low	29	Very low	140 Å²	140	144.7 Å²	144.7	86%	0.859	77%	0.773	S	S	*	*			trans	-88.7	118.1	166.7	42	0	0	0	0	109.2
767	H	30.3	Very low	28.8	Very low	161 Å²	161	142.6 Å²	142.6	75%	0.745	75%	0.752	S	S	*	*			trans	-79.3	146.2	169.4	-71.6	-93.1	0	0	0	110.2	G769	H767-G769 PolarHBondContact O-N 3.49Å
768	M	28.9	Very low	28.4	Very low	206 Å²	206	144.4 Å²	144.4	100%	1.015	76%	0.757	S	S	*	*	S	Bend	trans	-92.2	87.8	161.8	-73.8	-73.4	-89	0	0	108
769	G	35.3	Very low	28.5	Very low	55 Å²	55	145.2 Å²	145.2	57%	0.567	75%	0.746	S	S	*	*	S	Bend	trans	-156.4	162.9	172.3	0	0	0	0	0	108	H767	H767-G769 PolarHBondContact O-N 3.49Å
770	D	31.1	Very low	28.5	Very low	134 Å²	134	138.6 Å²	138.6	72%	0.717	73%	0.731	S	S	*	*			trans	-55.4	133.8	-168.2	-155.4	-1.7	0	0	0	113.4	D772	D770-D772 PolarHBondContact O-N 2.9Å; D770-D772 VanDerWaalsContact O-N 3.08Å
771	I	36.6	Very low	28.6	Very low	154 Å²	154	133.8 Å²	133.8	79%	0.79	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	-18.6	-162.3	-71	167	0	0	0	112.7
772	D	34	Very low	28.8	Very low	145 Å²	145	130 Å²	130	78%	0.775	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	2.4	-167.6	-69.1	-23.8	0	0	0	115.3	D770	D770-D772 PolarHBondContact O-N 2.9Å; D770-D772 VanDerWaalsContact O-N 3.08Å
773	T	33.3	Very low	29	Very low	113 Å²	113	133 Å²	133	69%	0.693	70%	0.698	S	S	*	*			trans	-111.8	75.5	178.3	46.1	0	0	0	0	112.8	Q775	T773-Q775 PolarHBondContact O-N 3.4Å; T773-Q775 VanDerWaalsContact O-N 3.12Å
774	M	28.1	Very low	29.1	Very low	174 Å²	174	132.6 Å²	132.6	86%	0.857	69%	0.688	S	S	*	*			trans	-66.2	106.6	166	-90.5	-166	174	0	0	110.4
775	Q	28.4	Very low	29.2	Very low	142 Å²	142	127 Å²	127	66%	0.664	67%	0.665	S	S	*	*			trans	-102.3	122.4	163.1	-69.7	-169.5	1.6	0	0	109.9	T773 I777	T773-Q775 PolarHBondContact O-N 3.4Å; T773-Q775 VanDerWaalsContact O-N 3.12Å; Q775-I777 PolarHBondContact O-N 3.14Å
776	H	25	Very low	29	Very low	182 Å²	182	127.2 Å²	127.2	84%	0.843	67%	0.671	S	S	*	*			trans	-79.3	111.3	172	-69.7	-77.8	0	0	0	109.9
777	I	28.9	Very low	29	Very low	71 Å²	71	122.6 Å²	122.6	36%	0.364	64%	0.642	S	S	.	*			trans	-116.6	130.9	172.2	-58.4	172.4	0	0	0	108.6	Q775 F779	Q775-I777 PolarHBondContact O-N 3.14Å; I777-F779 HydrophobicContact CB-CD2 4.36Å; I777-F779 HydrophobicContact CB-CE2 3.65Å; I777-F779 HydrophobicContact CB-CZ 3.75Å; I777-F779 HydrophobicContact CD1-CZ 4.26Å; I777-F779 HydrophobicContact CG2-CD1 4.25Å; I777-F779 HydrophobicContact CG2-CD2 4.15Å; I777-F779 HydrophobicContact CG2-CE1 3.81Å; I777-F779 HydrophobicContact CG2-CE2 3.71Å; I777-F779 HydrophobicContact CG2-CG 4.41Å; I777-F779 HydrophobicContact CG2-CZ 3.53Å; I777-F779 WeakPolarHBondContact O-CD2 3.41Å
778	K	23.4	Very low	28.9	Very low	214 Å²	214	119 Å²	119	93%	0.93	63%	0.631	S	S	*	*			trans	-85.5	123.8	169.7	-87.3	-177.6	172.2	-177.6	0	108.9
779	F	28.6	Very low	28.8	Very low	131 Å²	131	114.3 Å²	114.3	58%	0.575	62%	0.618	S	S	*	*			trans	-110.9	139.4	-178.6	-66.9	-83.3	0	0	0	112.2	I777 I784	I777-F779 HydrophobicContact CB-CD2 4.36Å; I777-F779 HydrophobicContact CB-CE2 3.65Å; I777-F779 HydrophobicContact CB-CZ 3.75Å; I777-F779 HydrophobicContact CD1-CZ 4.26Å; I777-F779 HydrophobicContact CG2-CD1 4.25Å; I777-F779 HydrophobicContact CG2-CD2 4.15Å; I777-F779 HydrophobicContact CG2-CE1 3.81Å; I777-F779 HydrophobicContact CG2-CE2 3.71Å; I777-F779 HydrophobicContact CG2-CG 4.41Å; I777-F779 HydrophobicContact CG2-CZ 3.53Å; I777-F779 WeakPolarHBondContact O-CD2 3.41Å; F779-I784 HydrophobicContact CD1-CD1 4.5Å; F779-I784 HydrophobicContact CE1-CD1 3.97Å
780	T	28.5	Very low	28.4	Very low	87 Å²	87	120.6 Å²	120.6	53%	0.534	63%	0.629	S	S	.	*			trans	-77.9	151.4	155.9	24	0	0	0	0	109.7	M782	T780-M782 VanDerWaalsContact C-N 3.25Å; T780-M782 PolarHBondContact O-N 3.3Å
781	A	25	Very low	28.3	Very low	92 Å²	92	120.5 Å²	120.5	76%	0.76	63%	0.633	S	S	*	*	S	Bend	trans	-69.4	59.2	-166.1	0	0	0	0	0	116.1
782	M	29.2	Very low	28	Very low	68 Å²	68	117.3 Å²	117.3	34%	0.335	61%	0.614	S	S	.	*			trans	-104.7	125.8	159.5	-74.8	-158.7	-58.2	0	0	109.1	L699 I719 T780 I784	L699-M782 HydrophobicContact CD1-CE 4.23Å; I719-M782 HydrophobicContact CD1-CE 4.45Å; I719-M782 HydrophobicContact CD1-SD 4.32Å; I719-M782 HydrophobicContact CG1-CE 3.63Å; I719-M782 HydrophobicContact CG1-SD 4.01Å; T780-M782 VanDerWaalsContact C-N 3.25Å; T780-M782 PolarHBondContact O-N 3.3Å; M782-I784 PolarHBondContact O-N 3.04Å
783	R	29	Very low	27.8	Very low	183 Å²	183	114.5 Å²	114.5	69%	0.691	60%	0.603	S	S	*	*			trans	-73.4	111.7	168.1	-75.1	-177.6	177.7	-179.4	-1.2	107.6	A785	R783-A785 PolarHBondContact O-N 3.26Å
784	I	27.4	Very low	27.7	Very low	69 Å²	69	114.9 Å²	114.9	35%	0.354	61%	0.608	S	S	.	*			trans	-68.4	100.4	169	-58.6	173.4	0	0	0	106.9	F779 M782 V786	F779-I784 HydrophobicContact CD1-CD1 4.5Å; F779-I784 HydrophobicContact CE1-CD1 3.97Å; M782-I784 PolarHBondContact O-N 3.04Å; I784-V786 HydrophobicContact CG2-CG2 4.36Å
785	A	25.4	Very low	28.1	Very low	45 Å²	45	110.4 Å²	110.4	37%	0.372	59%	0.594	S	S	.	*			trans	-91.5	103.8	166.2	0	0	0	0	0	107.7	R783 V787	R783-A785 PolarHBondContact O-N 3.26Å; A785-V787 PolarHBondContact O-N 2.73Å; A785-V787 VanDerWaalsContact O-N 3.1Å
786	V	24.8	Very low	28.3	Very low	106 Å²	106	105.4 Å²	105.4	64%	0.642	58%	0.576	S	S	*	*			trans	-65.4	108.8	165.6	179.2	0	0	0	0	106.9	I784 T788	I784-V786 HydrophobicContact CG2-CG2 4.36Å; V786-T788 PolarHBondContact O-N 2.9Å; V786-T788 VanDerWaalsContact O-N 3.16Å
787	V	28.5	Very low	28.8	Very low	42 Å²	42	100.7 Å²	100.7	26%	0.255	56%	0.558	S	S	.	*			trans	-72.6	106.2	169.6	-177.6	0	0	0	0	106.5	Y608 A785 C789	Y608-V787 WeakPolarHBondContact OH-CG1 3.49Å; A785-V787 PolarHBondContact O-N 2.73Å; A785-V787 VanDerWaalsContact O-N 3.1Å; V787-C789 PolarHBondContact O-N 3.34Å
788	T	26.8	Very low	29.2	Very low	85 Å²	85	104.6 Å²	104.6	52%	0.521	57%	0.574	S	S	.	*			trans	-71.4	110.4	170.9	44.9	0	0	0	0	108.1	V786 K790	V786-T788 PolarHBondContact O-N 2.9Å; V786-T788 VanDerWaalsContact O-N 3.16Å; T788-K790 PolarHBondContact O-N 3.2Å
789	C	26.9	Very low	29.8	Very low	108 Å²	108	103 Å²	103	73%	0.73	57%	0.57	S	S	*	*			trans	-60.5	107.5	162.4	-67.7	0	0	0	0	107.5	V787	V787-C789 PolarHBondContact O-N 3.34Å
790	K	27.3	Very low	30.1	Very low	187 Å²	187	102.8 Å²	102.8	81%	0.813	57%	0.571	S	S	*	*			trans	-113.2	115.3	162.6	-92.8	-160.3	174.7	-172.8	0	110.1	T788	T788-K790 PolarHBondContact O-N 3.2Å
791	V	30.3	Very low	30.4	Very low	133 Å²	133	104.9 Å²	104.9	81%	0.806	58%	0.579	S	S	*	*			trans	61.4	113.7	157.4	-157.9	0	0	0	0	115.5
792	K	29	Very low	30.9	Very low	87 Å²	87	108.1 Å²	108.1	38%	0.378	58%	0.583	S	S	.	*			trans	-41.5	139.9	162.7	-82.4	176.3	170.2	-174.4	0	109.7	A796 E800	K792-A796 HydrophobicContact CB-CB 4.09Å; K792-A796 HydrophobicContact CD-CB 3.88Å; K792-A796 HydrophobicContact CG-CB 4.14Å; K792-E800 IonicContact NZ-OE1 3.01Å; K792-E800 IonicContact NZ-OE2 2.65Å; K792-E800 PolarHBondContact NZ-OE2 3.22Å
793	P	30	Very low	31.3	Very low	85 Å²	85	108.3 Å²	108.3	55%	0.552	60%	0.596	S	S	*	*			trans	-58	147.8	168.7	24.5	-30.6	0	0	0	109.5	S795 A796	P793-S795 PolarHBondContact O-N 3.18Å; P793-A796 PolarHBondContact O-N 3.27Å; P793-A796 VanDerWaalsContact O-N 3.09Å
794	P	32	Very low	31.7	Very low	122 Å²	122	107 Å²	107	79%	0.792	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.1	0.9	-175.2	-22.2	31.4	0	0	0	116.3
795	S	36.1	Very low	31.9	Very low	80 Å²	80	107.7 Å²	107.7	56%	0.559	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	-12.9	178.3	60.6	0	0	0	0	114.2	P793 D797	P793-S795 PolarHBondContact O-N 3.18Å; S795-D797 VanDerWaalsContact C-N 3.29Å
796	A	32.2	Very low	32.3	Very low	36 Å²	36	113.1 Å²	113.1	30%	0.298	65%	0.648	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.1	-17.4	177.4	0	0	0	0	0	112.8	K792 P793 Q798	K792-A796 HydrophobicContact CB-CB 4.09Å; K792-A796 HydrophobicContact CD-CB 3.88Å; K792-A796 HydrophobicContact CG-CB 4.14Å; P793-A796 PolarHBondContact O-N 3.27Å; P793-A796 VanDerWaalsContact O-N 3.09Å; A796-Q798 VanDerWaalsContact C-N 3.26Å; A796-Q798 PolarHBondContact O-N 2.61Å
797	D	35.4	Very low	32.8	Very low	84 Å²	84	115.6 Å²	115.6	45%	0.449	66%	0.658	S	S	.	*	H	α-helix	trans	-80.8	-5.6	177.6	-61	-26.2	0	0	0	112.8	S795 N801	S795-D797 VanDerWaalsContact C-N 3.29Å; D797-N801 PolarHBondContact O-ND2 3.12Å
798	Q	36.7	Very low	32.8	Very low	152 Å²	152	125.1 Å²	125.1	71%	0.71	69%	0.689	S	S	*	*	H	α-helix	trans	-83.4	-24.1	178.7	-89	173.3	-11.2	0	0	113.6	A796	A796-Q798 VanDerWaalsContact C-N 3.26Å; A796-Q798 PolarHBondContact O-N 2.61Å
799	E	36.1	Very low	33.1	Very low	182 Å²	182	129.4 Å²	129.4	85%	0.85	71%	0.708	S	S	*	*	H	α-helix	trans	-90.7	-24.2	177.6	-70.2	-172.2	166.7	0	0	113.3
800	E	34.7	Very low	33.5	Very low	126 Å²	126	132.8 Å²	132.8	59%	0.589	71%	0.713	S	S	*	*	H	α-helix	trans	-81.2	-15.9	177.2	-83.4	-178.3	146.9	0	0	113.8	K792 D802	K792-E800 IonicContact NZ-OE1 3.01Å; K792-E800 IonicContact NZ-OE2 2.65Å; K792-E800 PolarHBondContact NZ-OE2 3.22Å; E800-D802 VanDerWaalsContact C-N 3.33Å; E800-D802 PolarHBondContact O-N 2.81Å
801	N	34.7	Very low	33.8	Very low	131 Å²	131	128.5 Å²	128.5	70%	0.701	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	-13.1	-175.9	-93.9	-37.9	0	0	0	115	D797	D797-N801 PolarHBondContact O-ND2 3.12Å
802	D	36.2	Very low	33.9	Very low	159 Å²	159	128.4 Å²	128.4	85%	0.85	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	-4.2	-179.9	-82.8	-17.1	0	0	0	114	E800	E800-D802 VanDerWaalsContact C-N 3.33Å; E800-D802 PolarHBondContact O-N 2.81Å
803	A	38.2	Very low	34.3	Very low	72 Å²	72	133.5 Å²	133.5	60%	0.595	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.1	-20.6	-166.3	0	0	0	0	0	117.6
804	N	37.1	Very low	34.9	Very low	157 Å²	157	132.6 Å²	132.6	84%	0.84	75%	0.749	S	S	*	*			trans	-156.6	81.6	-176.7	-89	-41.7	0	0	0	115
805	G	31.4	Very low	35.8	Very low	83 Å²	83	131 Å²	131	86%	0.856	74%	0.738	S	S	*	*			trans	-96.1	24.2	178.2	0	0	0	0	0	116.3
806	L	34	Very low	36.2	Very low	158 Å²	158	137.6 Å²	137.6	83%	0.827	75%	0.75	S	S	*	*	S	Bend	trans	-141	70.7	176.3	-124.8	104.8	0	0	0	110.8
807	N	34.9	Very low	37.1	Very low	158 Å²	158	142 Å²	142	85%	0.845	77%	0.769	S	S	*	*			trans	165.3	91.7	151.3	-85.2	-29.7	0	0	0	110.8
808	R	29.4	Very low	37.8	Very low	242 Å²	242	143.4 Å²	143.4	91%	0.913	78%	0.776	S	S	*	*			trans	-177.6	69.9	143.2	-107.8	176.1	174.5	-174.1	-0.7	112.3	Q810	R808-Q810 PolarHBondContact O-N 3.1Å
809	L	32.6	Very low	38.7	Very low	175 Å²	175	139.6 Å²	139.6	92%	0.916	76%	0.76	S	S	*	*			trans	-85	87.6	148	-86.3	159.8	0	0	0	106.7
810	Q	35.7	Very low	39.9	Very low	179 Å²	179	137.3 Å²	137.3	84%	0.836	75%	0.748	S	S	*	*	S	Bend	trans	171.4	130.7	151.4	-96	163	9.5	0	0	110.2	R808	R808-Q810 PolarHBondContact O-N 3.1Å
811	A	32.4	Very low	41	Very low	97 Å²	97	136.5 Å²	136.5	80%	0.802	75%	0.747	S	S	*	*			trans	93.4	72.9	171.9	0	0	0	0	0	118.5
812	T	33.9	Very low	42.3	Very low	132 Å²	132	136.5 Å²	136.5	81%	0.81	74%	0.737	S	S	*	*			trans	-158	84.1	142.8	37.2	0	0	0	0	110.3
813	L	37.2	Very low	43.6	Very low	194 Å²	194	133.6 Å²	133.6	100%	1.016	72%	0.722	S	S	*	*			trans	-107.3	94	165.6	-99.1	139.3	0	0	0	107.4
814	G	41.9	Very low	44.8	Very low	66 Å²	66	134 Å²	134	68%	0.68	71%	0.71	S	S	*	*	S	Bend	trans	136.7	85.4	173.1	0	0	0	0	0	112.7
815	T	50.8	Low	46.1	Very low	89 Å²	89	130 Å²	130	55%	0.546	69%	0.691	S	S	.	*			trans	171.7	-3.7	157.3	38.9	0	0	0	0	114.5	D817 D818	T815-D817 VanDerWaalsContact C-N 3.31Å; T815-D817 PolarHBondContact O-N 3.36Å; T815-D818 PolarHBondContact O-N 3.4Å
816	R	45.7	Very low	47.7	Very low	218 Å²	218	131.6 Å²	131.6	82%	0.823	68%	0.677	S	S	*	*	H	α-helix	trans	-64	-25.6	-173	-72.4	-179.9	87.4	166.3	4.7	115.8	F820	R816-F820 PolarHBondContact O-N 3.19Å
817	D	49.7	Very low	49.2	Very low	128 Å²	128	128.9 Å²	128.9	68%	0.684	66%	0.663	S	S	*	*	H	α-helix	trans	-77.4	-33.3	-176.4	-73.8	-21.1	0	0	0	113.3	T815 L821	T815-D817 VanDerWaalsContact C-N 3.31Å; T815-D817 PolarHBondContact O-N 3.36Å; D817-L821 PolarHBondContact O-N 3.23Å
818	D	51.7	Low	50.8	Low	114 Å²	114	121.8 Å²	121.8	61%	0.61	63%	0.626	S	S	*	*	H	α-helix	trans	-76.6	-27.1	179.7	-76.6	-30.9	0	0	0	112.9	T815 R822	T815-D818 PolarHBondContact O-N 3.4Å; D818-R822 WeakPolarHBondContact O-CB 3.46Å; D818-R822 PolarHBondContact O-N 2.61Å
819	D	54.8	Low	52.6	Low	71 Å²	71	115.5 Å²	115.5	38%	0.38	61%	0.61	S	S	.	*	H	α-helix	trans	-71.7	-45.1	172.4	-69	-31.7	0	0	0	110.3	L821 R822 D823	D819-L821 PolarHBondContact O-N 3.46Å; D819-R822 PolarHBondContact O-N 3.14Å; D819-R822 IonicContact OD1-CZ 2.99Å; D819-R822 IonicContact OD1-NH2 2.7Å; D819-R822 PolarHBondContact OD1-NH2 3.34Å; D819-D823 PolarHBondContact O-N 2.97Å
820	F	60.6	Low	54.3	Low	135 Å²	135	111.1 Å²	111.1	59%	0.592	60%	0.599	S	S	*	*	H	α-helix	trans	-61	-45.3	175.8	177.9	-100.5	0	0	0	112.5	R816 R822 D823 F824	R816-F820 PolarHBondContact O-N 3.19Å; F820-R822 VanDerWaalsContact C-N 3.29Å; F820-R822 PolarHBondContact O-N 2.66Å; F820-D823 PolarHBondContact O-N 2.85Å; F820-F824 HydrophobicContact CZ-CD2 4.35Å; F820-F824 VanDerWaalsContact O-CB 3.23Å; F820-F824 WeakPolarHBondContact O-CB 3.49Å; F820-F824 PolarHBondContact O-N 3.42Å
821	L	58.3	Low	55.8	Low	109 Å²	109	111.1 Å²	111.1	57%	0.571	59%	0.593	S	S	*	*	H	α-helix	trans	-61.4	-38.2	179	-108.4	124.6	0	0	0	112.4	D817 D819 V825	D817-L821 PolarHBondContact O-N 3.23Å; D819-L821 PolarHBondContact O-N 3.46Å; L821-V825 WeakPolarHBondContact O-CB 3.19Å; L821-V825 VanDerWaalsContact O-CG2 3.23Å; L821-V825 WeakPolarHBondContact O-CG2 3.34Å; L821-V825 PolarHBondContact O-N 2.99Å; L821-V825 VanDerWaalsContact O-N 3.1Å
822	R	62.9	Low	57.5	Low	130 Å²	130	109.7 Å²	109.7	49%	0.491	59%	0.587	S	S	.	*	H	α-helix	trans	-70.3	-43.2	178.1	174	175	16.4	177.9	-8.7	112	D818 D819 F820 F824 V825 Q826	D818-R822 WeakPolarHBondContact O-CB 3.46Å; D818-R822 PolarHBondContact O-N 2.61Å; D819-R822 PolarHBondContact O-N 3.14Å; D819-R822 IonicContact OD1-CZ 2.99Å; D819-R822 IonicContact OD1-NH2 2.7Å; D819-R822 PolarHBondContact OD1-NH2 3.34Å; F820-R822 VanDerWaalsContact C-N 3.29Å; F820-R822 PolarHBondContact O-N 2.66Å; R822-F824 VanDerWaalsContact C-N 3.34Å; R822-V825 PolarHBondContact O-N 3.03Å; R822-Q826 WeakPolarHBondContact O-CG 3.26Å; R822-Q826 PolarHBondContact O-N 2.9Å
823	D	63.4	Low	59.6	Low	99 Å²	99	108.8 Å²	108.8	53%	0.529	57%	0.572	S	S	.	*	H	α-helix	trans	-67.3	-38.2	178	-70.4	-10.6	0	0	0	111.2	D819 F820 Q826 L827	D819-D823 PolarHBondContact O-N 2.97Å; F820-D823 PolarHBondContact O-N 2.85Å; D823-Q826 PolarHBondContact O-N 3.3Å; D823-L827 WeakPolarHBondContact O-CB 3.27Å; D823-L827 PolarHBondContact O-N 3.2Å
824	F	62.9	Low	61.4	Low	79 Å²	79	102.2 Å²	102.2	35%	0.346	54%	0.542	S	S	.	.	H	α-helix	trans	-64.4	-40.9	176.2	-168.6	-106.8	0	0	0	112.2	F820 R822 L827 A828 L838	F820-F824 HydrophobicContact CZ-CD2 4.35Å; F820-F824 VanDerWaalsContact O-CB 3.23Å; F820-F824 WeakPolarHBondContact O-CB 3.49Å; F820-F824 PolarHBondContact O-N 3.42Å; R822-F824 VanDerWaalsContact C-N 3.34Å; F824-L827 PolarHBondContact O-N 3.39Å; F824-A828 WeakPolarHBondContact O-CB 3.49Å; F824-A828 PolarHBondContact O-N 3.3Å; F824-L838 HydrophobicContact CE1-CD1 4.01Å; F824-L838 HydrophobicContact CE1-CD2 3.9Å; F824-L838 HydrophobicContact CE1-CG 4.49Å; F824-L838 HydrophobicContact CZ-CD2 3.78Å
825	V	64.7	Low	62.4	Low	73 Å²	73	106 Å²	106	44%	0.442	54%	0.54	S	S	.	.	H	α-helix	trans	-69.2	-38.3	175.1	170	0	0	0	0	111.7	L821 R822 A828 N829	L821-V825 WeakPolarHBondContact O-CB 3.19Å; L821-V825 VanDerWaalsContact O-CG2 3.23Å; L821-V825 WeakPolarHBondContact O-CG2 3.34Å; L821-V825 PolarHBondContact O-N 2.99Å; L821-V825 VanDerWaalsContact O-N 3.1Å; R822-V825 PolarHBondContact O-N 3.03Å; V825-A828 PolarHBondContact O-N 3.38Å; V825-N829 WeakPolarHBondContact O-CB 3.45Å; V825-N829 VanDerWaalsContact O-CG 3.26Å; V825-N829 PolarHBondContact O-N 3.32Å; V825-N829 PolarHBondContact O-ND2 3.12Å; V825-N829 VanDerWaalsContact O-ND2 3.17Å
826	Q	65.3	Low	63.3	Low	118 Å²	118	107.4 Å²	107.4	55%	0.551	54%	0.54	S	S	*	.	H	α-helix	trans	-64.9	-41.4	175.2	-76.1	-178.6	25.5	0	0	112	R822 D823 N829 A830	R822-Q826 WeakPolarHBondContact O-CG 3.26Å; R822-Q826 PolarHBondContact O-N 2.9Å; D823-Q826 PolarHBondContact O-N 3.3Å; Q826-N829 PolarHBondContact O-N 3.07Å; Q826-A830 WeakPolarHBondContact O-CB 3.37Å; Q826-A830 PolarHBondContact O-N 2.95Å
827	L	65.3	Low	64.5	Low	101 Å²	101	99.9 Å²	99.9	53%	0.529	52%	0.517	S	S	.	.	H	α-helix	trans	-62.8	-45.1	175.7	-169.8	70	0	0	0	111.2	D823 F824 N829 A830 Y831	D823-L827 WeakPolarHBondContact O-CB 3.27Å; D823-L827 PolarHBondContact O-N 3.2Å; F824-L827 PolarHBondContact O-N 3.39Å; L827-N829 VanDerWaalsContact C-N 3.33Å; L827-N829 PolarHBondContact O-N 3.47Å; L827-A830 WeakPolarHBondContact O-CB 3.49Å; L827-A830 PolarHBondContact O-N 3.07Å; L827-Y831 HydrophobicContact CD1-CD2 4.22Å; L827-Y831 HydrophobicContact CD1-CE2 3.82Å; L827-Y831 HydrophobicContact CG-CD2 4.41Å; L827-Y831 HydrophobicContact CG-CE2 4.43Å; L827-Y831 WeakPolarHBondContact O-CD2 3.12Å; L827-Y831 PolarHBondContact O-N 3.33Å
828	A	67.9	Low	65.4	Low	9 Å²	9	95.7 Å²	95.7	7%	0.074	49%	0.494	C	S	.	.	H	α-helix	trans	-60.2	-43.1	177.2	0	0	0	0	0	112.4	F824 V825 Y831 G832 K833 L838	F824-A828 WeakPolarHBondContact O-CB 3.49Å; F824-A828 PolarHBondContact O-N 3.3Å; V825-A828 PolarHBondContact O-N 3.38Å; A828-Y831 PolarHBondContact O-N 3.47Å; A828-G832 PolarHBondContact O-N 3.39Å; A828-K833 PolarHBondContact O-N 3.13Å; A828-L838 HydrophobicContact CB-CD1 3.67Å; A828-L838 HydrophobicContact CB-CD2 4.34Å; A828-L838 HydrophobicContact CB-CG 4.31Å
829	N	66.6	Low	66.2	Low	110 Å²	110	95.9 Å²	95.9	59%	0.588	49%	0.487	S	S	*	.	H	α-helix	trans	-65.4	-37.8	176.2	-71.7	-29.3	0	0	0	112.5	V825 Q826 L827 Y831 G832	V825-N829 WeakPolarHBondContact O-CB 3.45Å; V825-N829 VanDerWaalsContact O-CG 3.26Å; V825-N829 PolarHBondContact O-N 3.32Å; V825-N829 PolarHBondContact O-ND2 3.12Å; V825-N829 VanDerWaalsContact O-ND2 3.17Å; Q826-N829 PolarHBondContact O-N 3.07Å; L827-N829 VanDerWaalsContact C-N 3.33Å; L827-N829 PolarHBondContact O-N 3.47Å; N829-Y831 PolarHBondContact O-N 2.89Å; N829-G832 PolarHBondContact O-N 3.1Å; N829-G832 VanDerWaalsContact O-N 3.08Å
830	A	69.1	Low	66.9	Low	82 Å²	82	97.9 Å²	97.9	68%	0.678	49%	0.494	S	S	*	.	H	α-helix	trans	-62.3	-31.4	178.2	0	0	0	0	0	112.7	Q826 L827	Q826-A830 WeakPolarHBondContact O-CB 3.37Å; Q826-A830 PolarHBondContact O-N 2.95Å; L827-A830 WeakPolarHBondContact O-CB 3.49Å; L827-A830 PolarHBondContact O-N 3.07Å
831	Y	67.9	Low	67.2	Low	179 Å²	179	93.8 Å²	93.8	70%	0.702	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	11	176.2	-71.1	-83	0	0	0	113.6	L827 A828 N829 K833	L827-Y831 HydrophobicContact CD1-CD2 4.22Å; L827-Y831 HydrophobicContact CD1-CE2 3.82Å; L827-Y831 HydrophobicContact CG-CD2 4.41Å; L827-Y831 HydrophobicContact CG-CE2 4.43Å; L827-Y831 WeakPolarHBondContact O-CD2 3.12Å; L827-Y831 PolarHBondContact O-N 3.33Å; A828-Y831 PolarHBondContact O-N 3.47Å; N829-Y831 PolarHBondContact O-N 2.89Å; Y831-K833 PolarHBondContact O-N 3.45Å
832	G	67.8	Low	67.5	Low	67 Å²	67	92.9 Å²	92.9	69%	0.691	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	22.6	178	0	0	0	0	0	114.3	A828 N829	A828-G832 PolarHBondContact O-N 3.39Å; N829-G832 PolarHBondContact O-N 3.1Å; N829-G832 VanDerWaalsContact O-N 3.08Å
833	K	77	Confident	67.6	Low	113 Å²	113	91.3 Å²	91.3	49%	0.491	48%	0.482	S	S	.	.			trans	-86.2	130	-179.9	-65.3	-61.5	-173.3	176	0	110.3	A828 Y831 D837	A828-K833 PolarHBondContact O-N 3.13Å; Y831-K833 PolarHBondContact O-N 3.45Å; K833-D837 HydrophobicContact CB-CB 4.35Å; K833-D837 HydrophobicContact CD-CB 4.11Å
834	S	75	Confident	67.6	Low	56 Å²	56	92.8 Å²	92.8	39%	0.392	48%	0.484	S	S	.	.			trans	-78.2	165.1	175.2	74.8	0	0	0	0	111	Q836 D837 L838	S834-Q836 PolarHBondContact O-N 3.25Å; S834-Q836 PolarHBondContact OG-N 3.34Å; S834-D837 WeakPolarHBondContact CA-OD2 3.38Å; S834-D837 VanDerWaalsContact CB-OD2 3.3Å; S834-D837 WeakPolarHBondContact CB-OD2 3.48Å; S834-D837 PolarHBondContact N-OD2 3.48Å; S834-D837 PolarHBondContact O-N 3.18Å; S834-D837 VanDerWaalsContact OG-CG 3.31Å; S834-D837 PolarHBondContact OG-N 3.4Å; S834-D837 PolarHBondContact OG-OD2 3.37Å; S834-L838 PolarHBondContact O-N 3.34Å
835	K	63.1	Low	67.8	Low	147 Å²	147	93.6 Å²	93.6	64%	0.639	49%	0.491	S	S	*	.	H	α-helix	trans	-57.4	-30.4	173.2	-164.5	-175.7	-178.8	-171.4	0	112.2	Y839	K835-Y839 HydrophobicContact CD-CE2 4.06Å; K835-Y839 WeakPolarHBondContact CE-OH 3.47Å; K835-Y839 HydrophobicContact CG-CD2 4.27Å; K835-Y839 HydrophobicContact CG-CE2 3.76Å; K835-Y839 WeakPolarHBondContact O-CD2 3.14Å; K835-Y839 PolarHBondContact O-N 3.3Å
836	Q	69.5	Low	67.4	Low	117 Å²	117	95.7 Å²	95.7	55%	0.547	50%	0.499	S	S	.	.	H	α-helix	trans	-71.2	-42.1	178.3	-168.2	65.1	21.7	0	0	111.7	S834 L838 Y839 E840	S834-Q836 PolarHBondContact O-N 3.25Å; S834-Q836 PolarHBondContact OG-N 3.34Å; Q836-L838 PolarHBondContact O-N 3.33Å; Q836-Y839 PolarHBondContact O-N 3.49Å; Q836-Y839 VanDerWaalsContact O-N 3.14Å; Q836-E840 PolarHBondContact O-N 3.01Å
837	D	72	Confident	66.9	Low	60 Å²	60	96.5 Å²	96.5	32%	0.321	51%	0.508	S	S	.	.	H	α-helix	trans	-62	-31	176.5	-58.7	-64.2	0	0	0	112.2	K833 S834 A841	K833-D837 HydrophobicContact CB-CB 4.35Å; K833-D837 HydrophobicContact CD-CB 4.11Å; S834-D837 WeakPolarHBondContact CA-OD2 3.38Å; S834-D837 VanDerWaalsContact CB-OD2 3.3Å; S834-D837 WeakPolarHBondContact CB-OD2 3.48Å; S834-D837 PolarHBondContact N-OD2 3.48Å; S834-D837 PolarHBondContact O-N 3.18Å; S834-D837 VanDerWaalsContact OG-CG 3.31Å; S834-D837 PolarHBondContact OG-N 3.4Å; S834-D837 PolarHBondContact OG-OD2 3.37Å; D837-A841 WeakPolarHBondContact O-CB 3.39Å; D837-A841 PolarHBondContact O-N 2.92Å
838	L	68.8	Low	66.4	Low	40 Å²	40	98 Å²	98	21%	0.209	51%	0.512	C	S	.	.	H	α-helix	trans	-72.6	-39.6	175.6	-74.3	169.9	0	0	0	112.5	F824 A828 S834 Q836 A841 L842	F824-L838 HydrophobicContact CE1-CD1 4.01Å; F824-L838 HydrophobicContact CE1-CD2 3.9Å; F824-L838 HydrophobicContact CE1-CG 4.49Å; F824-L838 HydrophobicContact CZ-CD2 3.78Å; A828-L838 HydrophobicContact CB-CD1 3.67Å; A828-L838 HydrophobicContact CB-CD2 4.34Å; A828-L838 HydrophobicContact CB-CG 4.31Å; S834-L838 PolarHBondContact O-N 3.34Å; Q836-L838 PolarHBondContact O-N 3.33Å; L838-A841 PolarHBondContact O-N 2.89Å; L838-L842 WeakPolarHBondContact O-CB 3.43Å; L838-L842 WeakPolarHBondContact O-CG 3.4Å; L838-L842 PolarHBondContact O-N 2.95Å
839	Y	66.8	Low	65.4	Low	118 Å²	118	106.4 Å²	106.4	46%	0.463	54%	0.543	S	S	.	.	H	α-helix	trans	-65.5	-41.2	174.3	-76.1	-59.9	0	0	0	111	K835 Q836 A841 L842 D843	K835-Y839 HydrophobicContact CD-CE2 4.06Å; K835-Y839 WeakPolarHBondContact CE-OH 3.47Å; K835-Y839 HydrophobicContact CG-CD2 4.27Å; K835-Y839 HydrophobicContact CG-CE2 3.76Å; K835-Y839 WeakPolarHBondContact O-CD2 3.14Å; K835-Y839 PolarHBondContact O-N 3.3Å; Q836-Y839 PolarHBondContact O-N 3.49Å; Q836-Y839 VanDerWaalsContact O-N 3.14Å; Y839-A841 VanDerWaalsContact C-N 3.35Å; Y839-A841 PolarHBondContact O-N 2.62Å; Y839-L842 PolarHBondContact O-N 3.04Å; Y839-D843 WeakPolarHBondContact O-CB 3.37Å; Y839-D843 PolarHBondContact O-N 3.31Å
840	E	69.6	Low	64.2	Low	113 Å²	113	109.1 Å²	109.1	53%	0.528	55%	0.552	S	S	.	*	H	α-helix	trans	-64.4	-37.1	175.4	-71.8	176	-169.7	0	0	112.6	Q836 F844	Q836-E840 PolarHBondContact O-N 3.01Å; E840-F844 VanDerWaalsContact O-CB 3.27Å; E840-F844 WeakPolarHBondContact O-CB 3.5Å; E840-F844 PolarHBondContact O-N 3.39Å
841	A	66.8	Low	62.8	Low	49 Å²	49	111.6 Å²	111.6	41%	0.405	56%	0.561	S	S	.	*	H	α-helix	trans	-70.1	-36.5	174.5	0	0	0	0	0	112.9	D837 L838 Y839 I845	D837-A841 WeakPolarHBondContact O-CB 3.39Å; D837-A841 PolarHBondContact O-N 2.92Å; L838-A841 PolarHBondContact O-N 2.89Å; Y839-A841 VanDerWaalsContact C-N 3.35Å; Y839-A841 PolarHBondContact O-N 2.62Å; A841-I845 WeakPolarHBondContact O-CD1 3.47Å; A841-I845 VanDerWaalsContact O-CG1 3.23Å; A841-I845 WeakPolarHBondContact O-CG1 3.33Å; A841-I845 PolarHBondContact O-N 3.12Å
842	L	65.2	Low	61.3	Low	90 Å²	90	106.2 Å²	106.2	47%	0.471	56%	0.56	S	S	.	*	H	α-helix	trans	-70.3	-42	175.8	-81.8	162.8	0	0	0	111.5	L838 Y839 F844 I845 N846	L838-L842 WeakPolarHBondContact O-CB 3.43Å; L838-L842 WeakPolarHBondContact O-CG 3.4Å; L838-L842 PolarHBondContact O-N 2.95Å; Y839-L842 PolarHBondContact O-N 3.04Å; L842-F844 VanDerWaalsContact C-N 3.33Å; L842-I845 PolarHBondContact O-N 3.38Å; L842-N846 WeakPolarHBondContact O-CB 3.29Å; L842-N846 PolarHBondContact O-N 2.87Å
843	D	64.2	Low	59.8	Low	98 Å²	98	109.4 Å²	109.4	52%	0.524	57%	0.568	S	S	.	*	H	α-helix	trans	-63.9	-39.8	174.4	-75.6	-18.4	0	0	0	110.8	Y839 I845 N846 D847	Y839-D843 WeakPolarHBondContact O-CB 3.37Å; Y839-D843 PolarHBondContact O-N 3.31Å; D843-I845 PolarHBondContact O-N 2.74Å; D843-N846 PolarHBondContact O-N 3.08Å; D843-D847 WeakPolarHBondContact O-CB 3.49Å; D843-D847 PolarHBondContact O-N 3.04Å
844	F	64.4	Low	58	Low	129 Å²	129	111.4 Å²	111.4	57%	0.566	58%	0.583	S	S	*	*	H	α-helix	trans	-61.8	-38.6	173.3	-176.6	-95	0	0	0	113.2	E840 L842 Q848	E840-F844 VanDerWaalsContact O-CB 3.27Å; E840-F844 WeakPolarHBondContact O-CB 3.5Å; E840-F844 PolarHBondContact O-N 3.39Å; L842-F844 VanDerWaalsContact C-N 3.33Å; F844-Q848 HydrophobicContact CE1-CG 4.37Å; F844-Q848 VanDerWaalsContact CZ-NE2 3.34Å; F844-Q848 WeakPolarHBondContact O-CG 3.17Å; F844-Q848 PolarHBondContact O-N 3Å
845	I	66.1	Low	55.8	Low	96 Å²	96	120.7 Å²	120.7	49%	0.492	61%	0.609	S	S	.	*	H	α-helix	trans	-71.4	-36.9	176.1	-69.4	165	0	0	0	110.8	A841 L842 D843 Q848 Y849	A841-I845 WeakPolarHBondContact O-CD1 3.47Å; A841-I845 VanDerWaalsContact O-CG1 3.23Å; A841-I845 WeakPolarHBondContact O-CG1 3.33Å; A841-I845 PolarHBondContact O-N 3.12Å; L842-I845 PolarHBondContact O-N 3.38Å; D843-I845 PolarHBondContact O-N 2.74Å; I845-Q848 PolarHBondContact O-N 3.21Å; I845-Y849 HydrophobicContact CG2-CD2 4.44Å; I845-Y849 PolarHBondContact O-N 3.32Å
846	N	57.6	Low	54.1	Low	117 Å²	117	122.4 Å²	122.4	63%	0.626	62%	0.617	S	S	*	*	H	α-helix	trans	-69.5	-35.2	178.6	-136.4	10.4	0	0	0	111.6	L842 D843 Q848 Y849	L842-N846 WeakPolarHBondContact O-CB 3.29Å; L842-N846 PolarHBondContact O-N 2.87Å; D843-N846 PolarHBondContact O-N 3.08Å; N846-Q848 VanDerWaalsContact C-N 3.34Å; N846-Y849 PolarHBondContact O-N 3.24Å
847	D	55	Low	52.1	Low	136 Å²	136	122.8 Å²	122.8	73%	0.727	63%	0.628	S	S	*	*	H	α-helix	trans	-70.2	-27.2	173.1	-81.8	-14.9	0	0	0	112.9	D843	D843-D847 WeakPolarHBondContact O-CB 3.49Å; D843-D847 PolarHBondContact O-N 3.04Å
848	Q	53.6	Low	50	Low	131 Å²	131	124.9 Å²	124.9	61%	0.612	65%	0.647	S	S	*	*	H	α-helix	trans	-81.1	-14	176.5	-77.6	-152.5	-2.7	0	0	114.9	F844 I845 N846	F844-Q848 HydrophobicContact CE1-CG 4.37Å; F844-Q848 VanDerWaalsContact CZ-NE2 3.34Å; F844-Q848 WeakPolarHBondContact O-CG 3.17Å; F844-Q848 PolarHBondContact O-N 3Å; I845-Q848 PolarHBondContact O-N 3.21Å; N846-Q848 VanDerWaalsContact C-N 3.34Å
849	Y	47	Very low	48	Very low	187 Å²	187	127.9 Å²	127.9	73%	0.733	67%	0.671	S	S	*	*			trans	-123.6	36.6	-172.5	-81.7	-86.5	0	0	0	114.4	I845 N846	I845-Y849 HydrophobicContact CG2-CD2 4.44Å; I845-Y849 PolarHBondContact O-N 3.32Å; N846-Y849 PolarHBondContact O-N 3.24Å
850	Q	42.8	Very low	46.2	Very low	167 Å²	167	128.9 Å²	128.9	78%	0.78	68%	0.683	S	S	*	*			trans	-82.6	123.5	159.1	-74.1	-158.7	-2.3	0	0	111.2	G852	Q850-G852 PolarHBondContact O-N 2.66Å; Q850-G852 VanDerWaalsContact O-N 3.15Å
851	P	38.7	Very low	44.3	Very low	134 Å²	134	134 Å²	134	87%	0.87	70%	0.699	S	S	*	*			trans	-80.8	96.9	176.2	30.3	-29.5	0	0	0	110.8
852	G	36.6	Very low	42.4	Very low	65 Å²	65	138.3 Å²	138.3	67%	0.67	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-85	151.1	161	0	0	0	0	0	111.8	Q850	Q850-G852 PolarHBondContact O-N 2.66Å; Q850-G852 VanDerWaalsContact O-N 3.15Å
853	P	35.8	Very low	40.6	Very low	134 Å²	134	138.7 Å²	138.7	87%	0.87	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-78.5	142.5	-161.5	31.6	-34.4	0	0	0	114.2
854	I	40	Very low	38.8	Very low	155 Å²	155	138.9 Å²	138.9	80%	0.795	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-46.5	131.5	176.7	-61.4	156.8	0	0	0	113.3
855	R	27.5	Very low	37	Very low	251 Å²	251	141.4 Å²	141.4	95%	0.947	75%	0.748	S	S	*	*			trans	-152.4	136.5	144.5	-109.7	171.8	-162.5	-162.8	4.5	114.1
856	K	28.2	Very low	35.1	Very low	183 Å²	183	145 Å²	145	80%	0.796	76%	0.762	S	S	*	*			trans	-67.8	148	-178	-58.7	166.7	174.3	177.7	0	111.9
857	T	28.4	Very low	33.8	Very low	126 Å²	126	145.8 Å²	145.8	77%	0.773	77%	0.765	S	S	*	*				155.2	123.5	105.5	51.4	0	0	0	0	113.2
858	S	26.3	Very low	33.1	Very low	104 Å²	104	143.8 Å²	143.8	73%	0.727	76%	0.759	S	S	*	*			trans	47.5	117.7	137.2	63.2	0	0	0	0	123.1
859	S	28.3	Very low	31.8	Very low	102 Å²	102	144.9 Å²	144.9	71%	0.713	77%	0.768	S	S	*	*				55.7	135	115.6	130.6	0	0	0	0	118.6
860	I	29.3	Very low	31	Very low	139 Å²	139	140 Å²	140	71%	0.713	77%	0.767	S	S	*	*			cis	-165	143	13.6	-90.8	152.7	0	0	0	104.9
861	Y	29	Very low	30.6	Very low	222 Å²	222	138 Å²	138	87%	0.871	77%	0.768	S	S	*	*			trans	-165	119.6	130.4	-111.2	-77.1	0	0	0	111.2
862	D	26.3	Very low	30.1	Very low	138 Å²	138	135.7 Å²	135.7	74%	0.738	76%	0.761	S	S	*	*			trans	-0.9	128.8	154.2	-113.8	-28.3	0	0	0	120.2
863	S	27.1	Very low	30.8	Very low	99 Å²	99	137.8 Å²	137.8	69%	0.692	76%	0.763	S	S	*	*				155.9	138.2	97.6	51.6	0	0	0	0	113.4
864	S	26.1	Very low	30.4	Very low	101 Å²	101	139.1 Å²	139.1	71%	0.706	76%	0.761	S	S	*	*			trans	74.4	98.8	160.5	34.6	0	0	0	0	120.9
865	H	26.4	Very low	29.9	Very low	183 Å²	183	135.8 Å²	135.8	85%	0.847	76%	0.756	S	S	*	*			trans	85.7	94.7	137.3	-69.3	-54.6	0	0	0	119.5
866	H	26.9	Very low	30	Very low	170 Å²	170	135.8 Å²	135.8	79%	0.787	76%	0.756	S	S	*	*			trans	-150.4	130.6	150.2	-123.9	-6.2	0	0	0	112.3
867	I	30.5	Very low	30.1	Very low	134 Å²	134	134.3 Å²	134.3	69%	0.687	76%	0.757	S	S	*	*			trans	65.9	177.1	142.3	8.9	-175.7	0	0	0	116.7
868	P	40.4	Very low	30.1	Very low	94 Å²	94	137.4 Å²	137.4	61%	0.61	77%	0.765	S	S	*	*			cis	-146.1	174.3	-1.6	17.3	11.3	0	0	0	119.9
869	L	26.4	Very low	30.2	Very low	154 Å²	154	136 Å²	136	81%	0.806	77%	0.767	S	S	*	*			trans	65.2	119	133.6	-75.8	145	0	0	0	121.3
870	A	30.2	Very low	30.9	Very low	86 Å²	86	137 Å²	137	71%	0.711	77%	0.771	S	S	*	*				58.6	166.8	124.6	0	0	0	0	0	119.2
871	P	34.6	Very low	30.8	Very low	124 Å²	124	137.4 Å²	137.4	81%	0.805	78%	0.78	S	S	*	*			cis	-128.4	-173	-1.9	32	-9.3	0	0	0	113.6
872	A	27.4	Very low	30.8	Very low	86 Å²	86	135.2 Å²	135.2	71%	0.711	78%	0.78	S	S	*	*			trans	-72.6	-173.7	163.8	0	0	0	0	0	111.4
873	P	52.2	Low	31	Very low	109 Å²	109	136.8 Å²	136.8	71%	0.708	79%	0.787	S	S	*	*			cis	-134.7	-174.9	-14.8	27.8	-3.5	0	0	0	113.1
874	I	27.1	Very low	31	Very low	162 Å²	162	137.2 Å²	137.2	83%	0.831	79%	0.789	S	S	*	*				154.7	133.7	128.3	-75.4	160.3	0	0	0	111.6
875	A	29.4	Very low	31.3	Very low	84 Å²	84	138.3 Å²	138.3	69%	0.694	79%	0.794	S	S	*	*			trans	-59.6	159.3	-177.6	0	0	0	0	0	116.6
876	R	29.5	Very low	31.7	Very low	252 Å²	252	135.5 Å²	135.5	95%	0.951	79%	0.792	S	S	*	*				-171.8	143.2	124.2	-103.2	170.2	-174.9	-161.7	1.8	114
877	N	29.7	Very low	32	Very low	151 Å²	151	133.4 Å²	133.4	81%	0.807	79%	0.794	S	S	*	*			trans	-54.6	156.4	174.6	-68.2	-34.6	0	0	0	115.6
878	M	29.4	Very low	31.9	Very low	191 Å²	191	132.1 Å²	132.1	94%	0.941	80%	0.803	S	S	*	*				166.2	116.9	114.5	-84.9	-93.4	-159.5	0	0	112.4
879	G	27.4	Very low	31.4	Very low	75 Å²	75	137.3 Å²	137.3	77%	0.773	82%	0.816	S	S	*	*			trans	80.7	157.2	133.7	0	0	0	0	0	121.7
880	P	43.1	Very low	31.5	Very low	124 Å²	124	135.3 Å²	135.3	81%	0.805	81%	0.812	S	S	*	*			trans	-118.8	158.9	-148.8	38.8	-24.4	0	0	0	115
881	T	28.4	Very low	31.6	Very low	146 Å²	146	137.8 Å²	137.8	90%	0.896	82%	0.821	S	S	*	*			trans	-148.6	133	158	35.1	0	0	0	0	112.9
882	M	29.3	Very low	31.1	Very low	177 Å²	177	137 Å²	137	87%	0.872	82%	0.818	S	S	*	*			trans	-65.7	153.5	170.4	-58.5	-129.8	-80.3	0	0	111.7
883	I	30	Very low	31.2	Very low	171 Å²	171	142.2 Å²	142.2	88%	0.877	83%	0.828	S	S	*	*			trans	-171.3	129.9	139.6	-86	139.9	0	0	0	108.8
884	S	26.9	Very low	30	Very low	107 Å²	107	144.6 Å²	144.6	75%	0.748	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-68.5	159.3	178.7	-45.3	0	0	0	0	114.5
885	P	33.1	Very low	30.1	Very low	125 Å²	125	142.8 Å²	142.8	81%	0.812	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-97.1	148.7	162.2	18.6	-2.3	0	0	0	113.6
886	P	33.3	Very low	29.9	Very low	124 Å²	124	143.7 Å²	143.7	81%	0.805	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-91.6	170.4	-179.1	37.4	-34.2	0	0	0	113.9
887	P	32.7	Very low	30.3	Very low	126 Å²	126	136.9 Å²	136.9	82%	0.818	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-91	148.6	-162.7	35.4	-32.9	0	0	0	114.3
888	A	29.1	Very low	30	Very low	107 Å²	107	136.4 Å²	136.4	88%	0.884	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-85.2	132	175.1	0	0	0	0	0	112.2
889	K	29.9	Very low	29.8	Very low	202 Å²	202	135.1 Å²	135.1	88%	0.878	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-88.7	158.2	174	-88.2	-178.7	179.3	178.1	0	111.9
890	P	29.6	Very low	29.7	Very low	113 Å²	113	137 Å²	137	73%	0.734	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-88	160.4	-167.6	36.2	-35.3	0	0	0	113.4
891	P	30.7	Very low	28.8	Very low	137 Å²	137	138.2 Å²	138.2	89%	0.89	81%	0.814	S	S	*	*			trans	-95.4	113.8	169.3	32.9	-25.5	0	0	0	111.6
892	S	25.9	Very low	28.6	Very low	107 Å²	107	138.5 Å²	138.5	75%	0.748	81%	0.808	S	S	*	*			trans	-104	115.9	159.6	54.2	0	0	0	0	108.6
893	Q	29.5	Very low	28.6	Very low	197 Å²	197	135.3 Å²	135.3	92%	0.921	80%	0.8	S	S	*	*			trans	-144.6	117	158.8	-76.3	-166.4	-17.9	0	0	110.8
894	L	25.7	Very low	28.3	Very low	158 Å²	158	135 Å²	135	83%	0.827	80%	0.795	S	S	*	*			trans	-63.2	163	161.5	-77.8	143.8	0	0	0	111
895	P	28.9	Very low	28.1	Very low	124 Å²	124	138.4 Å²	138.4	81%	0.805	80%	0.801	S	S	*	*				-130.8	153.6	125.7	29.3	-14.3	0	0	0	113.1
896	S	25.5	Very low	27.7	Very low	103 Å²	103	143.4 Å²	143.4	72%	0.72	81%	0.806	S	S	*	*			trans	-137	176.8	166.5	-61.4	0	0	0	0	107.2
897	P	37.2	Very low	27.2	Very low	110 Å²	110	143.8 Å²	143.8	71%	0.714	80%	0.801	S	S	*	*				-124.9	168.6	-59.2	35.6	-21.2	0	0	0	110.5
898	N	24.2	Very low	26.8	Very low	140 Å²	140	145 Å²	145	75%	0.749	80%	0.801	S	S	*	*			trans	-166.5	122.7	143.7	-102.8	-18.9	0	0	0	112.4
899	Q	25.3	Very low	26.5	Very low	164 Å²	164	143.4 Å²	143.4	77%	0.766	80%	0.795	S	S	*	*			trans	51.7	138.4	133.6	-68.6	-176.8	12.1	0	0	119.2
900	T	24.6	Very low	26.2	Very low	116 Å²	116	141.6 Å²	141.6	71%	0.712	79%	0.793	S	S	*	*			cis	178.8	121.7	-7.8	13	0	0	0	0	103
901	T	24.2	Very low	26	Very low	149 Å²	149	141.6 Å²	141.6	91%	0.914	79%	0.793	S	S	*	*			trans	-167.9	110.2	144.4	-5.1	0	0	0	0	110.5
902	I	24.9	Very low	25.6	Very low	152 Å²	152	142.1 Å²	142.1	78%	0.779	79%	0.785	S	S	*	*			trans	-96.8	147.4	160.1	-51.3	169	0	0	0	105.3
903	P	28.3	Very low	25.5	Very low	109 Å²	109	142.4 Å²	142.4	71%	0.708	78%	0.777	S	S	*	*				-143.6	139.8	98.4	22.2	0.1	0	0	0	116.3
904	H	24.5	Very low	25.2	Very low	165 Å²	165	144.4 Å²	144.4	76%	0.764	78%	0.778	S	S	*	*			trans	65.8	114.6	136	-68.9	-66	0	0	0	123.1
905	M	23.3	Very low	25.1	Very low	179 Å²	179	143.1 Å²	143.1	88%	0.882	77%	0.768	S	S	*	*			trans	-67.8	144.9	145.3	-60.4	-164.7	87.1	0	0	111.3
906	Y	24.4	Very low	24.9	Very low	229 Å²	229	146.9 Å²	146.9	90%	0.898	77%	0.774	S	S	*	*			trans	-144.8	143.5	142.3	-111.4	-82.6	0	0	0	110.7
907	N	23.2	Very low	24.9	Very low	133 Å²	133	147.4 Å²	147.4	71%	0.711	77%	0.765	S	S	*	*			trans	-98.1	160.5	-178.6	-160.8	17.4	0	0	0	110.1
908	N	23.6	Very low	24.2	Very low	151 Å²	151	151.9 Å²	151.9	81%	0.807	78%	0.776	S	S	*	*			trans	75.3	126.5	163.8	-66	-14.3	0	0	0	121.1
909	G	22.2	Very low	24.1	Very low	74 Å²	74	152.2 Å²	152.2	76%	0.763	77%	0.774	S	S	*	*			trans	157.3	99	154.1	0	0	0	0	0	115.5
910	I	24.8	Very low	24	Very low	163 Å²	163	152.7 Å²	152.7	84%	0.836	78%	0.776	S	S	*	*			trans	-70.8	134.7	163	-66	166.6	0	0	0	109
911	P	24.9	Very low	23.9	Very low	114 Å²	114	157.8 Å²	157.8	74%	0.74	78%	0.782	S	S	*	*				-144.5	130.4	116.2	26.9	-6.5	0	0	0	112.5
912	M	22.3	Very low	23.8	Very low	147 Å²	147	159.6 Å²	159.6	72%	0.724	78%	0.778	S	S	*	*				58.6	110.1	90.6	-72.4	-75.4	-86.7	0	0	115.8
913	I	23.5	Very low	23.9	Very low	113 Å²	113	159.1 Å²	159.1	58%	0.579	78%	0.777	S	S	*	*			trans	59.8	116.6	134.9	-53.9	178.5	0	0	0	118.4	E915	I913-E915 HydrophobicContact CG2-CG 4.39Å
914	Y	24.4	Very low	24	Very low	239 Å²	239	167.5 Å²	167.5	94%	0.937	80%	0.796	S	S	*	*			trans	-138.6	119	130.4	-111.9	-83.3	0	0	0	110.4
915	E	23.7	Very low	24	Very low	132 Å²	132	167.7 Å²	167.7	62%	0.617	80%	0.798	S	S	*	*			trans	-68	142.4	170.3	-70.3	172.5	113	0	0	111.3	I913 H917	I913-E915 HydrophobicContact CG2-CG 4.39Å; E915-H917 IonicContact OE1-CE1 2.85Å; E915-H917 PolarHBondContact OE1-CE1 3.49Å; E915-H917 IonicContact OE1-ND1 3.95Å; E915-H917 PolarHBondContact OE1-ND1 3.21Å
916	H	24.8	Very low	24	Very low	202 Å²	202	167.1 Å²	167.1	94%	0.935	79%	0.793	S	S	*	*			trans	-111.9	104.7	147.3	-106.8	-58.3	0	0	0	108.1
917	H	23.9	Very low	24	Very low	115 Å²	115	163.6 Å²	163.6	53%	0.532	79%	0.787	S	S	.	*			trans	-72.4	134.9	166.9	-101	40.2	0	0	0	110.6	E915	E915-H917 IonicContact OE1-CE1 2.85Å; E915-H917 PolarHBondContact OE1-CE1 3.49Å; E915-H917 IonicContact OE1-ND1 3.95Å; E915-H917 PolarHBondContact OE1-ND1 3.21Å
918	Q	23.2	Very low	24	Very low	203 Å²	203	165.4 Å²	165.4	95%	0.949	79%	0.792	S	S	*	*			trans	-143.9	112.4	133.8	-121.2	176.8	11.4	0	0	109.5
919	Q	22.6	Very low	24.1	Very low	148 Å²	148	166.3 Å²	166.3	69%	0.692	79%	0.791	S	S	*	*			trans	-78.7	157.1	-179.7	-75.5	160.3	-38.9	0	0	112.6
920	Q	23.3	Very low	24.2	Very low	173 Å²	173	172.5 Å²	172.5	81%	0.808	79%	0.793	S	S	*	*				157.4	138.3	125.7	-86.4	178.4	21.2	0	0	108.5
921	R	20.8	Very low	24.2	Very low	224 Å²	224	173.1 Å²	173.1	85%	0.845	79%	0.79	S	S	*	*			cis	-166.2	156.5	-0.8	-130.5	179.1	-173.4	-179.4	1.1	107.7
922	F	22.3	Very low	24.1	Very low	187 Å²	187	177.7 Å²	177.7	82%	0.82	79%	0.794	S	S	*	*			trans	-75.9	167.7	179.9	-90.4	-100.7	0	0	0	114.7
923	D	26.9	Very low	24.3	Very low	142 Å²	142	180.3 Å²	180.3	76%	0.759	80%	0.799	S	S	*	*				160.3	125.2	127.7	-79.9	-11.9	0	0	0	107.7
924	Y	31.6	Very low	24.3	Very low	285 Å²	285	186.4 Å²	186.4	100%	1.118	82%	0.819	S	S	*	*			cis	-146.8	0	8.3	-116.3	-89.2	0	0	0	109

Retrieved 924 of 924 residues in 537.1 ms (Link to these results)

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