X5DRC3_HUMAN Loading...

Neuroligin 3 isoform C

AlphaFold DB , UniProt , Accession X5DRC3, Species HUMAN (Homo sapiens, Human), Gene NLGN3, Length 807 aa.

						>X5DRC3_HUMAN|X5DRC3|NLGN3
MWLRLGPPSLSLSPKPTVGRSLCLTLWFLSLALRASTQAPAPTVNTHFGKLRGARVPLPSEILGPVDQYLGVPYAAPPIGEKRFLPPEPPPSWSGIRNATHFPPVCPQNIHTAVPEVMLPVWFTANLDIVATYIQEPNEDCLYLNVYVPTEDDIRDSGAKPVMVYIHGGSYMEGTGNMIDGSILASYGNVIVITLNYRVGVLGFLSTGDQAAKGNYGLLDQIQALRWVSENIAFFGGDPRRITVFGSGIGASCVSLLTLSHHSEGLFQRAIIQSGSALSSWAVNYQPVKYTSLLADKVGCNVLDTVDMVDCLRQKSAKELVEQDIQPARYHVAFGPVIDGDVIPDDPEILMEQGEFLNYDIMLGVNQGEGLKFVEGVVDPEDGVSGTDFDYSVSNFVDNLYGYPEGKDTLRETIKFMYTDWADRDNPETRRKTLVALFTDHQWVEPSVVTADLHARYGSPTYFYAFYHHCQSLMKPAWSDAAHGDEVPYVFGVPMVGPTDLFPCNFSKNDVMLSAVVMTYWTNFAKTGDPNKPVPQDTKFIHTKANRFEEVAWSKYNPRDQLYLHIGLKPRVRDHYRATKVAFWKHLVPHLYNLHDMFHYTSTTTKVPPPDTTHSSHITRRPNGKTWSTKRPAISPAYSNENAQGSWNGDQDAGPLLVENPRDYSTELSVTIAVGASLLFLNVLAFAALYYRKDKRRQEPLRQPSPQRGAGAPELGAAPEEELAALQLGPTHHECEAGPPHDTLRLTALPDYTLTLRRSPDDIPLMTPNTITMIPNSLVGLQTLHPYNTFAAGFNSTGLPHSHSTTR
					

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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	34.9	Very low	40.3	Very low	222 Å²	222	145.3 Å²	145.3	100%	1.094	79%	0.792	S	S	*	*				0	115.9	0	-177.5	178.9	-177.4	0	0	106.3
2	W	34.9	Very low	40.5	Very low	210 Å²	210	148.1 Å²	148.1	80%	0.795	80%	0.804	S	S	*	*			cis	-134.7	160.7	3.3	-106.8	3.9	0	0	0	108.7
3	L	41.4	Very low	39.9	Very low	123 Å²	123	145.3 Å²	145.3	64%	0.644	80%	0.802	S	S	*	*				45.1	136.1	86.6	-50.7	172.8	0	0	0	113.5
4	R	42.3	Very low	41.7	Very low	202 Å²	202	143 Å²	143	76%	0.762	80%	0.797	S	S	*	*			cis	-174.6	155.1	4.5	-117.3	173.7	172.9	-161.9	2.2	111.1
5	L	40.5	Very low	41.7	Very low	154 Å²	154	147 Å²	147	81%	0.806	80%	0.803	S	S	*	*			trans	57.3	155.7	143.8	-59.4	163	0	0	0	120.1
6	G	32.7	Very low	42.1	Very low	69 Å²	69	144.9 Å²	144.9	71%	0.711	80%	0.799	S	S	*	*			cis	-175.1	-178.3	3	0	0	0	0	0	113.4
7	P	62.5	Low	42.9	Very low	122 Å²	122	143.6 Å²	143.6	79%	0.792	80%	0.797	S	S	*	*			trans	-104.6	-178.9	-165.6	43.1	-37.5	0	0	0	114.4
8	P	48.5	Very low	43.5	Very low	122 Å²	122	142.4 Å²	142.4	79%	0.792	79%	0.793	S	S	*	*				-153.7	-170.3	91.3	32.5	-9.8	0	0	0	114.2
9	S	39.1	Very low	43.9	Very low	104 Å²	104	137.6 Å²	137.6	73%	0.727	78%	0.779	S	S	*	*			cis	163.4	139.6	-37.8	75.7	0	0	0	0	108.6
10	L	33.1	Very low	44.3	Very low	172 Å²	172	141 Å²	141	90%	0.901	78%	0.779	S	S	*	*			trans	167.8	162.1	164.7	-91.2	148.7	0	0	0	106.7
11	S	33.8	Very low	44.9	Very low	98 Å²	98	138.1 Å²	138.1	69%	0.685	77%	0.769	S	S	*	*			cis	-163	162.8	-40.6	48.2	0	0	0	0	109
12	L	41.7	Very low	46.1	Very low	179 Å²	179	133.2 Å²	133.2	94%	0.937	75%	0.746	S	S	*	*			trans	-129.3	164.9	-176.3	-108.1	97	0	0	0	114.8
13	S	32.9	Very low	47.4	Very low	112 Å²	112	127.4 Å²	127.4	78%	0.783	74%	0.737	S	S	*	*			trans	-137.6	150.5	168.2	-178.6	0	0	0	0	111
14	P	64.8	Low	48.7	Very low	113 Å²	113	126.1 Å²	126.1	73%	0.734	73%	0.73	S	S	*	*			trans	-126.6	161.5	-155.4	41.1	-27.2	0	0	0	117.7
15	K	42.1	Very low	50.1	Low	203 Å²	203	120.1 Å²	120.1	88%	0.883	72%	0.716	S	S	*	*			trans	173.8	162.7	152.1	-101.6	168.9	-173	-178.6	0	110.4
16	P	48.6	Very low	51.5	Low	114 Å²	114	118 Å²	118	74%	0.74	71%	0.705	S	S	*	*			cis	-122.9	168	-44.2	37	-21.9	0	0	0	112.7
17	T	55.6	Low	53.4	Low	123 Å²	123	122.2 Å²	122.2	76%	0.755	70%	0.699	S	S	*	*			trans	-96.9	3.8	-162.5	36.9	0	0	0	0	117.9
18	V	52.8	Low	53.8	Low	122 Å²	122	122.4 Å²	122.4	74%	0.739	69%	0.688	S	S	*	*	H	α-helix	trans	-70.5	-41.4	-167.1	-177.7	0	0	0	0	114	R20 S21	V18-R20 VanDerWaalsContact C-N 3.29Å; V18-R20 PolarHBondContact O-N 3.13Å; V18-S21 PolarHBondContact O-N 3.36Å
19	G	51.1	Low	54.6	Low	51 Å²	51	122 Å²	122	53%	0.526	68%	0.678	S	S	.	*	H	α-helix	trans	-65.3	-26.8	-175.5	0	0	0	0	0	114.9	C23	G19-C23 PolarHBondContact O-N 3.37Å
20	R	53.6	Low	55.7	Low	205 Å²	205	119.6 Å²	119.6	77%	0.774	66%	0.662	S	S	*	*	H	α-helix	trans	-68.9	-36.4	-179.9	-81.6	-175.8	168	-176.7	-4.5	112.9	V18 L24	V18-R20 VanDerWaalsContact C-N 3.29Å; V18-R20 PolarHBondContact O-N 3.13Å; R20-L24 WeakPolarHBondContact O-CB 3.42Å; R20-L24 WeakPolarHBondContact O-CD1 3.5Å; R20-L24 WeakPolarHBondContact O-CG 3.41Å; R20-L24 PolarHBondContact O-N 2.87Å
21	S	55.7	Low	56.9	Low	80 Å²	80	115.5 Å²	115.5	56%	0.559	64%	0.64	S	S	*	*	H	α-helix	trans	-67.8	-42.5	-178.2	-154.5	0	0	0	0	111.5	V18 L24 T25	V18-S21 PolarHBondContact O-N 3.36Å; S21-L24 PolarHBondContact O-N 2.85Å; S21-T25 PolarHBondContact O-N 3.41Å; S21-T25 PolarHBondContact O-OG1 3.49Å; S21-T25 VanDerWaalsContact O-OG1 3.08Å
22	L	60.8	Low	57.9	Low	119 Å²	119	113.6 Å²	113.6	62%	0.623	63%	0.631	S	S	*	*	H	α-helix	trans	-67.2	-42.5	179.8	-154.2	76.8	0	0	0	112.1	T25 L26	L22-T25 WeakPolarHBondContact CA-OG1 3.48Å; L22-T25 PolarHBondContact O-N 3.39Å; L22-T25 PolarHBondContact O-OG1 2.86Å; L22-L26 HydrophobicContact CG-CD1 4.45Å; L22-L26 WeakPolarHBondContact O-CB 3.3Å; L22-L26 WeakPolarHBondContact O-CG 3.43Å; L22-L26 PolarHBondContact O-N 2.98Å
23	C	62.3	Low	58.3	Low	88 Å²	88	110.7 Å²	110.7	60%	0.595	62%	0.615	S	S	*	*	H	α-helix	trans	-62.1	-43.1	172.9	-77.3	0	0	0	0	112.2	G19 L26 W27	G19-C23 PolarHBondContact O-N 3.37Å; C23-L26 PolarHBondContact O-N 3.4Å; C23-W27 VanDerWaalsContact O-CB 3.27Å; C23-W27 WeakPolarHBondContact O-CB 3.2Å; C23-W27 PolarHBondContact O-N 2.9Å
24	L	68.7	Low	59.2	Low	97 Å²	97	114.7 Å²	114.7	51%	0.508	61%	0.613	S	S	.	*	H	α-helix	trans	-61.5	-45.4	176.4	-82.5	161.5	0	0	0	111.7	R20 S21 L26 W27 F28	R20-L24 WeakPolarHBondContact O-CB 3.42Å; R20-L24 WeakPolarHBondContact O-CD1 3.5Å; R20-L24 WeakPolarHBondContact O-CG 3.41Å; R20-L24 PolarHBondContact O-N 2.87Å; S21-L24 PolarHBondContact O-N 2.85Å; L24-L26 PolarHBondContact O-N 3.5Å; L24-W27 PolarHBondContact O-N 3.41Å; L24-F28 HydrophobicContact CD2-CE2 4.25Å; L24-F28 WeakPolarHBondContact O-CD2 3.38Å; L24-F28 PolarHBondContact O-N 3.08Å
25	T	71.8	Confident	58.2	Low	75 Å²	75	113.2 Å²	113.2	46%	0.46	61%	0.611	S	S	.	*	H	α-helix	trans	-64.6	-39.9	177.7	46.9	0	0	0	0	112.8	S21 L22 W27 F28 L29	S21-T25 PolarHBondContact O-N 3.41Å; S21-T25 PolarHBondContact O-OG1 3.49Å; S21-T25 VanDerWaalsContact O-OG1 3.08Å; L22-T25 WeakPolarHBondContact CA-OG1 3.48Å; L22-T25 PolarHBondContact O-N 3.39Å; L22-T25 PolarHBondContact O-OG1 2.86Å; T25-W27 VanDerWaalsContact C-N 3.35Å; T25-F28 PolarHBondContact O-N 3.45Å; T25-L29 WeakPolarHBondContact O-CB 3.46Å; T25-L29 PolarHBondContact O-N 3.3Å
26	L	70.2	Confident	58.4	Low	109 Å²	109	108.2 Å²	108.2	57%	0.571	60%	0.601	S	S	*	*	H	α-helix	trans	-67.2	-36.3	174.3	-74	166.3	0	0	0	111.9	L22 C23 L24 L29 S30	L22-L26 HydrophobicContact CG-CD1 4.45Å; L22-L26 WeakPolarHBondContact O-CB 3.3Å; L22-L26 WeakPolarHBondContact O-CG 3.43Å; L22-L26 PolarHBondContact O-N 2.98Å; C23-L26 PolarHBondContact O-N 3.4Å; L24-L26 PolarHBondContact O-N 3.5Å; L26-L29 PolarHBondContact O-N 3.37Å; L26-S30 WeakPolarHBondContact O-CB 3.41Å; L26-S30 PolarHBondContact O-N 3.46Å; L26-S30 PolarHBondContact O-OG 3.47Å
27	W	71.4	Confident	58.1	Low	159 Å²	159	108.3 Å²	108.3	60%	0.602	60%	0.6	S	S	*	*	H	α-helix	trans	-65.6	-48	175.6	-153.3	76.2	0	0	0	110.6	C23 L24 T25 L29 S30 L31	C23-W27 VanDerWaalsContact O-CB 3.27Å; C23-W27 WeakPolarHBondContact O-CB 3.2Å; C23-W27 PolarHBondContact O-N 2.9Å; L24-W27 PolarHBondContact O-N 3.41Å; T25-W27 VanDerWaalsContact C-N 3.35Å; W27-L29 PolarHBondContact O-N 3.42Å; W27-S30 PolarHBondContact O-N 3.46Å; W27-S30 PolarHBondContact O-OG 3.17Å; W27-L31 HydrophobicContact CZ3-CD2 4.49Å; W27-L31 WeakPolarHBondContact O-CB 3.47Å; W27-L31 PolarHBondContact O-N 3.25Å
28	F	71.4	Confident	57.8	Low	125 Å²	125	111 Å²	111	55%	0.548	60%	0.604	S	S	.	*	H	α-helix	trans	-62.6	-37.8	173.3	-79.5	-66.3	0	0	0	113.3	L24 T25 L31 A32	L24-F28 HydrophobicContact CD2-CE2 4.25Å; L24-F28 WeakPolarHBondContact O-CD2 3.38Å; L24-F28 PolarHBondContact O-N 3.08Å; T25-F28 PolarHBondContact O-N 3.45Å; F28-L31 PolarHBondContact O-N 2.96Å; F28-A32 VanDerWaalsContact O-CB 3.3Å; F28-A32 WeakPolarHBondContact O-CB 3.35Å; F28-A32 PolarHBondContact O-N 3.32Å
29	L	66	Low	58.1	Low	114 Å²	114	108.5 Å²	108.5	60%	0.597	60%	0.596	S	S	*	*	H	α-helix	trans	-65	-41.5	174.5	-127	77.4	0	0	0	111.8	T25 L26 W27 A32 L33	T25-L29 WeakPolarHBondContact O-CB 3.46Å; T25-L29 PolarHBondContact O-N 3.3Å; L26-L29 PolarHBondContact O-N 3.37Å; W27-L29 PolarHBondContact O-N 3.42Å; L29-A32 PolarHBondContact O-N 3.28Å; L29-L33 WeakPolarHBondContact O-CB 3.32Å; L29-L33 PolarHBondContact O-N 3.36Å
30	S	61.3	Low	59.1	Low	54 Å²	54	111.9 Å²	111.9	38%	0.378	61%	0.609	S	S	.	*	H	α-helix	trans	-69.7	-32	176.1	68.3	0	0	0	0	112.8	L26 W27 R34	L26-S30 WeakPolarHBondContact O-CB 3.41Å; L26-S30 PolarHBondContact O-N 3.46Å; L26-S30 PolarHBondContact O-OG 3.47Å; W27-S30 PolarHBondContact O-N 3.46Å; W27-S30 PolarHBondContact O-OG 3.17Å; S30-R34 WeakPolarHBondContact O-CB 3.29Å; S30-R34 VanDerWaalsContact O-CG 3.25Å; S30-R34 WeakPolarHBondContact O-CG 3.48Å; S30-R34 PolarHBondContact O-N 2.79Å
31	L	58.8	Low	60.5	Low	86 Å²	86	104.3 Å²	104.3	45%	0.45	59%	0.59	S	S	.	*	H	α-helix	trans	-68.5	-42	172.2	-145.1	78.2	0	0	0	111.2	W27 F28 R34 A35	W27-L31 HydrophobicContact CZ3-CD2 4.49Å; W27-L31 WeakPolarHBondContact O-CB 3.47Å; W27-L31 PolarHBondContact O-N 3.25Å; F28-L31 PolarHBondContact O-N 2.96Å; L31-R34 PolarHBondContact O-N 3.36Å; L31-A35 WeakPolarHBondContact O-CB 3.37Å; L31-A35 PolarHBondContact O-N 3.09Å
32	A	54.2	Low	62.3	Low	58 Å²	58	101.2 Å²	101.2	48%	0.479	57%	0.568	S	S	.	*	H	α-helix	trans	-67.5	-40.9	176	0	0	0	0	0	112.5	F28 L29 A35 S36	F28-A32 VanDerWaalsContact O-CB 3.3Å; F28-A32 WeakPolarHBondContact O-CB 3.35Å; F28-A32 PolarHBondContact O-N 3.32Å; L29-A32 PolarHBondContact O-N 3.28Å; A32-A35 PolarHBondContact O-N 3.32Å; A32-S36 WeakPolarHBondContact O-CB 3.43Å; A32-S36 PolarHBondContact O-N 2.97Å; A32-S36 VanDerWaalsContact O-N 3.13Å
33	L	51	Low	64	Low	117 Å²	117	99 Å²	99	61%	0.613	56%	0.559	S	S	*	*	H	α-helix	trans	-63.1	-43.4	172.3	-105.2	71.4	0	0	0	111.5	L29 A35 S36	L29-L33 WeakPolarHBondContact O-CB 3.32Å; L29-L33 PolarHBondContact O-N 3.36Å; L33-A35 VanDerWaalsContact C-N 3.32Å; L33-A35 PolarHBondContact O-N 3.32Å; L33-S36 WeakPolarHBondContact O-CB 3.27Å; L33-S36 PolarHBondContact O-N 2.99Å
34	R	50.4	Low	65.6	Low	196 Å²	196	95.6 Å²	95.6	74%	0.74	54%	0.536	S	S	*	.	H	α-helix	trans	-64.8	-33	176.3	-77.2	176.1	175.3	-162.9	-2.4	113.2	S30 L31 S36 T37	S30-R34 WeakPolarHBondContact O-CB 3.29Å; S30-R34 VanDerWaalsContact O-CG 3.25Å; S30-R34 WeakPolarHBondContact O-CG 3.48Å; S30-R34 PolarHBondContact O-N 2.79Å; L31-R34 PolarHBondContact O-N 3.36Å; R34-S36 VanDerWaalsContact C-N 3.26Å; R34-S36 PolarHBondContact O-N 3.26Å; R34-T37 PolarHBondContact O-OG1 3.05Å
35	A	44.4	Very low	66.9	Low	83 Å²	83	94.9 Å²	94.9	69%	0.686	53%	0.532	S	S	*	.	H	α-helix	trans	-73.5	-16.9	173.1	0	0	0	0	0	113.2	L31 A32 L33	L31-A35 WeakPolarHBondContact O-CB 3.37Å; L31-A35 PolarHBondContact O-N 3.09Å; A32-A35 PolarHBondContact O-N 3.32Å; L33-A35 VanDerWaalsContact C-N 3.32Å; L33-A35 PolarHBondContact O-N 3.32Å
36	S	45.4	Very low	68.1	Low	98 Å²	98	91.4 Å²	91.4	69%	0.685	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-4.6	-175.4	-171.4	0	0	0	0	114.6	A32 L33 R34	A32-S36 WeakPolarHBondContact O-CB 3.43Å; A32-S36 PolarHBondContact O-N 2.97Å; A32-S36 VanDerWaalsContact O-N 3.13Å; L33-S36 WeakPolarHBondContact O-CB 3.27Å; L33-S36 PolarHBondContact O-N 2.99Å; R34-S36 VanDerWaalsContact C-N 3.26Å; R34-S36 PolarHBondContact O-N 3.26Å
37	T	44.3	Very low	69.4	Low	115 Å²	115	91.9 Å²	91.9	71%	0.706	51%	0.51	S	S	*	.			trans	-109.3	0.4	-172.6	52.8	0	0	0	0	114.7	R34 A39	R34-T37 PolarHBondContact O-OG1 3.05Å; T37-A39 PolarHBondContact O-N 2.89Å
38	Q	48.7	Very low	70.6	Confident	180 Å²	180	85.6 Å²	85.6	84%	0.841	49%	0.487	S	S	*	.			trans	-82	106.2	177.2	-156.3	163.7	21.2	0	0	109.1
39	A	59.4	Low	71.8	Confident	69 Å²	69	80.2 Å²	80.2	57%	0.57	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-53.7	139.4	175.7	0	0	0	0	0	110.1	T37 A41	T37-A39 PolarHBondContact O-N 2.89Å; A39-A41 PolarHBondContact O-N 3.21Å
40	P	70.5	Confident	73.3	Confident	123 Å²	123	79.5 Å²	79.5	80%	0.799	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-59.8	130	-176.4	24	-33.4	0	0	0	110.4
41	A	83.6	Confident	75.1	Confident	45 Å²	45	76.9 Å²	76.9	37%	0.372	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-56.5	129.6	-177.1	0	0	0	0	0	111.1	A39 T43 R52	A39-A41 PolarHBondContact O-N 3.21Å; A41-T43 PolarHBondContact O-N 2.92Å; A41-T43 PolarHBondContact O-OG1 3.3Å; A41-R52 HydrophobicContact CB-CG 3.77Å
42	P	93.6	Very high	77	Confident	16 Å²	16	77.3 Å²	77.3	10%	0.104	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-62.6	125.8	-168.7	28.7	-37.7	0	0	0	109.8	R52 G53 D67	P42-R52 WeakPolarHBondContact O-CA 3.24Å; P42-G53 PolarHBondContact O-N 3.27Å; P42-D67 HydrophobicContact CB-CB 4.2Å; P42-D67 HydrophobicContact CG-CB 4.06Å
43	T	95.8	Very high	79	Confident	71 Å²	71	74.6 Å²	74.6	44%	0.436	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	123.8	-172.6	-58.9	0	0	0	0	109.7	A41 L51	A41-T43 PolarHBondContact O-N 2.92Å; A41-T43 PolarHBondContact O-OG1 3.3Å; T43-L51 CarbonylContact C-O 3.55Å; T43-L51 VanDerWaalsContact CA-O 3.24Å; T43-L51 WeakPolarHBondContact CA-O 3.35Å; T43-L51 WeakPolarHBondContact CG2-O 3.07Å
44	V	96.4	Very high	81.2	Confident	18 Å²	18	70.7 Å²	70.7	11%	0.109	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	150.9	-178.4	163.1	0	0	0	0	109.5	K50 L51 Y69 F234 F235	V44-K50 CarbonylContact O-C 3.17Å; V44-K50 WeakPolarHBondContact O-CA 3.5Å; V44-L51 PolarHBondContact N-O 2.85Å; V44-L51 PolarHBondContact O-N 2.97Å; V44-Y69 HydrophobicContact CB-CE1 4.15Å; V44-Y69 HydrophobicContact CG2-CE1 4.19Å; V44-Y69 WeakPolarHBondContact CG2-OH 3.46Å; V44-F234 HydrophobicContact CG1-CB 3.76Å; V44-F234 WeakPolarHBondContact CG1-O 3.24Å; V44-F235 HydrophobicContact CB-CD1 4.33Å; V44-F235 HydrophobicContact CB-CE1 4.12Å; V44-F235 HydrophobicContact CB-CZ 4.46Å; V44-F235 HydrophobicContact CG1-CD1 4.02Å; V44-F235 HydrophobicContact CG1-CD2 4.07Å; V44-F235 HydrophobicContact CG1-CE1 3.84Å; V44-F235 HydrophobicContact CG1-CE2 3.9Å; V44-F235 HydrophobicContact CG1-CG 4.14Å; V44-F235 HydrophobicContact CG1-CZ 3.79Å; V44-F235 HydrophobicContact CG2-CD1 4.1Å; V44-F235 HydrophobicContact CG2-CE1 4.35Å
45	N	96.4	Very high	83.4	Confident	81 Å²	81	67.7 Å²	67.7	43%	0.433	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	112.7	177.4	-175.4	93	0	0	0	109.6	K50 F234	N45-K50 HydrophobicContact CB-CG 4.24Å; N45-K50 WeakPolarHBondContact OD1-CE 3.45Å; N45-K50 VanDerWaalsContact OD1-CG 3.23Å; N45-K50 WeakPolarHBondContact OD1-CG 3.23Å; N45-F234 WeakPolarHBondContact O-CB 3.49Å; N45-F234 WeakPolarHBondContact O-CD1 3.25Å; N45-F234 WeakPolarHBondContact O-CD2 3.36Å; N45-F234 WeakPolarHBondContact O-CG 3.15Å
46	T	97.1	Very high	85.8	Confident	3 Å²	3	65.9 Å²	65.9	2%	0.018	37%	0.367	C	S	.	.			trans	-90.8	178.6	175.3	73.2	0	0	0	0	110.7	F48 G49 L51 W227 N231 F235	T46-F48 PolarHBondContact O-N 3.41Å; T46-F48 PolarHBondContact OG1-N 2.91Å; T46-F48 VanDerWaalsContact OG1-N 3.17Å; T46-G49 PolarHBondContact N-O 3.3Å; T46-G49 PolarHBondContact OG1-N 3Å; T46-G49 PolarHBondContact OG1-O 2.85Å; T46-L51 HydrophobicContact CG2-CD1 3.56Å; T46-L51 HydrophobicContact CG2-CG 4.27Å; T46-W227 HydrophobicContact CG2-CZ2 4.11Å; T46-N231 WeakPolarHBondContact CB-OD1 3.38Å; T46-F235 HydrophobicContact CG2-CE2 4.04Å; T46-F235 HydrophobicContact CG2-CZ 4.11Å
47	H	96.9	Very high	88	Confident	119 Å²	119	66.2 Å²	66.2	55%	0.551	37%	0.367	S	S	*	.	S	Bend	trans	-61.8	-24.7	170	-76.6	-64.9	0	0	0	113.3	E230 N231 F234	H47-E230 PolarHBondContact CD2-O 3.4Å; H47-E230 PolarHBondContact NE2-O 3.1Å; H47-N231 PolarHBondContact CD2-OD1 2.84Å; H47-N231 PolarHBondContact N-OD1 2.79Å; H47-F234 AromaticContact CD2-CE2 3.61Å; H47-F234 AromaticContact CE1-CZ 3.91Å; H47-F234 AromaticContact NE2-CE2 3.62Å; H47-F234 AromaticContact NE2-CZ 3.73Å
48	F	97.1	Very high	90.3	Very high	27 Å²	27	61.8 Å²	61.8	12%	0.118	34%	0.339	C	S	.	.	S	Bend	trans	-97.9	-20	-174.8	-57.4	-81	0	0	0	113.9	T46 P89 P90 S92 W93 W227	T46-F48 PolarHBondContact O-N 3.41Å; T46-F48 PolarHBondContact OG1-N 2.91Å; T46-F48 VanDerWaalsContact OG1-N 3.17Å; F48-P89 HydrophobicContact CE1-CB 4.37Å; F48-P90 HydrophobicContact CD1-CG 3.79Å; F48-P90 WeakPolarHBondContact CD1-O 3.2Å; F48-P90 HydrophobicContact CD2-CG 3.99Å; F48-P90 HydrophobicContact CE1-CG 3.77Å; F48-P90 WeakPolarHBondContact CE1-O 3.36Å; F48-P90 HydrophobicContact CE2-CG 3.97Å; F48-P90 HydrophobicContact CG-CG 3.9Å; F48-P90 HydrophobicContact CZ-CG 3.86Å; F48-S92 CarbonylContact O-C 3.59Å; F48-S92 WeakPolarHBondContact O-CA 3.37Å; F48-S92 WeakPolarHBondContact O-CB 3.37Å; F48-W93 HydrophobicContact CB-CE3 4.2Å; F48-W93 HydrophobicContact CB-CH2 3.84Å; F48-W93 HydrophobicContact CB-CZ3 3.62Å; F48-W93 PolarHBondContact O-N 2.97Å; F48-W227 AromaticContact CD2-NE1 3.72Å; F48-W227 AromaticContact CE2-CD1 3.62Å; F48-W227 AromaticContact CE2-NE1 3.78Å
49	G	96.7	Very high	92	Very high	11 Å²	11	58 Å²	58	11%	0.113	33%	0.33	C	S	.	.			trans	157.1	-173.3	176.7	0	0	0	0	0	113.6	T46	T46-G49 PolarHBondContact N-O 3.3Å; T46-G49 PolarHBondContact OG1-N 3Å; T46-G49 PolarHBondContact OG1-O 2.85Å
50	K	98.1	Very high	92.9	Very high	99 Å²	99	56.1 Å²	56.1	43%	0.43	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	138.3	178.6	-62.2	179	-177	-176.1	0	111.4	V44 N45 W93 I96 R97	V44-K50 CarbonylContact O-C 3.17Å; V44-K50 WeakPolarHBondContact O-CA 3.5Å; N45-K50 HydrophobicContact CB-CG 4.24Å; N45-K50 WeakPolarHBondContact OD1-CE 3.45Å; N45-K50 VanDerWaalsContact OD1-CG 3.23Å; N45-K50 WeakPolarHBondContact OD1-CG 3.23Å; K50-W93 PolarHBondContact O-NE1 3.19Å; K50-I96 HydrophobicContact CB-CB 4.38Å; K50-I96 HydrophobicContact CB-CG1 3.96Å; K50-I96 HydrophobicContact CB-CG2 4.43Å; K50-I96 HydrophobicContact CD-CG1 4.27Å; K50-R97 PolarHBondContact O-N 3.25Å
51	L	97.9	Very high	93.3	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	139.6	175.3	-65.6	168.7	0	0	0	109.8	T43 V44 T46 Y69 V72 W93 R97 A99 F235	T43-L51 CarbonylContact C-O 3.55Å; T43-L51 VanDerWaalsContact CA-O 3.24Å; T43-L51 WeakPolarHBondContact CA-O 3.35Å; T43-L51 WeakPolarHBondContact CG2-O 3.07Å; V44-L51 PolarHBondContact N-O 2.85Å; V44-L51 PolarHBondContact O-N 2.97Å; T46-L51 HydrophobicContact CG2-CD1 3.56Å; T46-L51 HydrophobicContact CG2-CG 4.27Å; L51-Y69 HydrophobicContact CB-CD1 4.19Å; L51-V72 HydrophobicContact CD1-CB 4.44Å; L51-V72 HydrophobicContact CD1-CG1 3.61Å; L51-V72 HydrophobicContact CD1-CG2 3.95Å; L51-V72 HydrophobicContact CD2-CG1 4.38Å; L51-W93 HydrophobicContact CD2-CH2 4.16Å; L51-W93 HydrophobicContact CD2-CZ2 3.55Å; L51-W93 HydrophobicContact CG-CZ2 3.94Å; L51-R97 CarbonylContact C-O 3.57Å; L51-R97 WeakPolarHBondContact CA-O 3.2Å; L51-R97 HydrophobicContact CD2-CB 4.24Å; L51-R97 HydrophobicContact CD2-CG 4.45Å; L51-A99 HydrophobicContact CD2-CB 4.26Å; L51-F235 HydrophobicContact CD1-CZ 3.89Å
52	R	97.9	Very high	93.3	Very high	95 Å²	95	62.5 Å²	62.5	36%	0.358	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	115.4	168.1	176.6	-174.8	-66	148.8	-5.4	109.6	A41 P42 I96 R97 N98 A99	A41-R52 HydrophobicContact CB-CG 3.77Å; P42-R52 WeakPolarHBondContact O-CA 3.24Å; R52-I96 HydrophobicContact CB-CG2 3.72Å; R52-R97 PolarHBondContact N-O 3.39Å; R52-N98 PolarHBondContact NH1-OD1 3.17Å; R52-A99 PolarHBondContact O-N 3.3Å
53	G	97.4	Very high	93.1	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.01	33%	0.326	C	S	.	.			trans	-91	-166.9	171.8	0	0	0	0	0	112.6	P42 Q68	P42-G53 PolarHBondContact O-N 3.27Å; G53-Q68 CarbonylContact C-O 3.53Å; G53-Q68 WeakPolarHBondContact CA-O 3.34Å
54	A	97	Very high	92.9	Very high	34 Å²	34	59.4 Å²	59.4	28%	0.281	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	137.9	174.6	0	0	0	0	0	110.8	Q68 T100	A54-Q68 PolarHBondContact N-O 2.82Å; A54-Q68 PolarHBondContact O-N 3.22Å; A54-T100 HydrophobicContact CB-CG2 4.19Å
55	R	95.6	Very high	92.8	Very high	134 Å²	134	60.8 Å²	60.8	51%	0.506	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	117.6	171.4	-174.4	161.3	-68.1	-167.8	-4.5	109.4	P65 D67	R55-P65 HydrophobicContact CG-CB 4.17Å; R55-D67 WeakPolarHBondContact CA-OD1 3.27Å; R55-D67 WeakPolarHBondContact CB-OD1 3.41Å; R55-D67 WeakPolarHBondContact CG-OD1 3.42Å; R55-D67 IonicContact CZ-OD1 3.41Å; R55-D67 IonicContact CZ-OD2 2.75Å; R55-D67 IonicContact NE-OD1 2.76Å; R55-D67 PolarHBondContact NE-OD1 3.41Å; R55-D67 IonicContact NE-OD2 2.62Å; R55-D67 IonicContact NH2-OD1 3.48Å; R55-D67 PolarHBondContact NH2-OD1 3.41Å; R55-D67 IonicContact NH2-OD2 3.77Å; R55-D67 PolarHBondContact NH2-OD2 2.86Å
56	V	94.9	Very high	92.8	Very high	45 Å²	45	56.9 Å²	56.9	27%	0.273	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	121.6	-175.9	-178.8	0	0	0	0	109.8	P65 V66 Q68	V56-P65 WeakPolarHBondContact O-CA 3.25Å; V56-P65 WeakPolarHBondContact O-CB 3.42Å; V56-V66 PolarHBondContact N-O 2.99Å; V56-V66 PolarHBondContact O-N 2.93Å; V56-Q68 HydrophobicContact CB-CG 4.43Å; V56-Q68 HydrophobicContact CG2-CG 4.07Å
57	P	93.4	Very high	92.8	Very high	104 Å²	104	57.6 Å²	57.6	68%	0.675	30%	0.299	S	S	*	.			trans	-75.1	143.3	170.6	32.4	-33.3	0	0	0	110.4
58	L	92.1	Very high	92.9	Very high	23 Å²	23	53.1 Å²	53.1	12%	0.12	28%	0.278	C	S	.	.			trans	-89.2	151.4	177.1	-68.4	177.3	0	0	0	111.3	S60 L63 G64 V66 I183 S186	L58-S60 PolarHBondContact O-N 3.49Å; L58-L63 HydrophobicContact CB-CB 4.3Å; L58-L63 HydrophobicContact CD1-CB 3.73Å; L58-L63 HydrophobicContact CD1-CD1 4.17Å; L58-G64 WeakPolarHBondContact CD1-O 3.41Å; L58-V66 HydrophobicContact CD1-CG2 4.18Å; L58-I183 HydrophobicContact CD1-CD1 3.91Å; L58-I183 HydrophobicContact CD2-CD1 3.7Å; L58-I183 HydrophobicContact CG-CD1 4.26Å; L58-S186 VanDerWaalsContact CD1-CB 3.49Å
59	P	84.3	Confident	93	Very high	99 Å²	99	52.3 Å²	52.3	64%	0.643	27%	0.274	S	S	*	.	S	Bend	trans	-79	50.5	176.9	34.8	-36	0	0	0	111.6	V496	P59-V496 HydrophobicContact CG-CB 3.95Å; P59-V496 HydrophobicContact CG-CG1 3.62Å
60	S	79	Confident	93.1	Very high	30 Å²	30	52.3 Å²	52.3	21%	0.21	27%	0.272	C	S	.	.			trans	-150.9	130.7	177.7	173.9	0	0	0	0	109.5	L58 I62	L58-S60 PolarHBondContact O-N 3.49Å; S60-I62 PolarHBondContact O-N 3.43Å; S60-I62 PolarHBondContact OG-N 3.06Å
61	E	77.3	Confident	93	Very high	206 Å²	206	48 Å²	48	96%	0.963	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-10	177.3	-61.1	-176.4	166.7	0	0	113.2
62	I	83.3	Confident	93.1	Very high	97 Å²	97	48 Å²	48	50%	0.497	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-23	-176.5	-55.4	173	0	0	0	111.8	S60 F540 I541	S60-I62 PolarHBondContact O-N 3.43Å; S60-I62 PolarHBondContact OG-N 3.06Å; I62-F540 HydrophobicContact CD1-CB 4.32Å; I62-I541 HydrophobicContact CB-CD1 4.05Å; I62-I541 HydrophobicContact CD1-CB 4.44Å; I62-I541 HydrophobicContact CD1-CD1 4.16Å; I62-I541 HydrophobicContact CG2-CB 4.26Å; I62-I541 HydrophobicContact CG2-CD1 3.99Å
63	L	90.4	Very high	93.1	Very high	18 Å²	18	43.8 Å²	43.8	9%	0.094	24%	0.24	C	C	.	.	S	Bend	trans	-100	123.1	-174.9	-62.7	176.3	0	0	0	110.9	L58 I183 Y187 M495 I541	L58-L63 HydrophobicContact CB-CB 4.3Å; L58-L63 HydrophobicContact CD1-CB 3.73Å; L58-L63 HydrophobicContact CD1-CD1 4.17Å; L63-I183 HydrophobicContact CD1-CD1 3.95Å; L63-I183 HydrophobicContact CD1-CG2 3.93Å; L63-Y187 HydrophobicContact CD2-CD2 4.31Å; L63-M495 HydrophobicContact CD1-SD 4.35Å; L63-I541 HydrophobicContact CD2-CD1 4.23Å; L63-I541 HydrophobicContact CG-CD1 4.32Å
64	G	91.3	Very high	93.1	Very high	4 Å²	4	43.7 Å²	43.7	4%	0.041	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-62.5	155.1	175.1	0	0	0	0	0	113.2	L58 E151 S186	L58-G64 WeakPolarHBondContact CD1-O 3.41Å; G64-E151 VanDerWaalsContact CA-OE1 3.23Å; G64-E151 WeakPolarHBondContact CA-OE1 3.38Å; G64-S186 PolarHBondContact N-OG 2.99Å; G64-S186 PolarHBondContact O-OG 3.12Å
65	P	94.4	Very high	93.2	Very high	46 Å²	46	42.3 Å²	42.3	30%	0.299	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-65.7	161.9	179.4	25.8	-30.2	0	0	0	112.2	R55 V56 T150	R55-P65 HydrophobicContact CG-CB 4.17Å; V56-P65 WeakPolarHBondContact O-CA 3.25Å; V56-P65 WeakPolarHBondContact O-CB 3.42Å; P65-T150 WeakPolarHBondContact CG-OG1 3.44Å; P65-T150 WeakPolarHBondContact O-CB 3.08Å; P65-T150 VanDerWaalsContact O-CG2 3.26Å; P65-T150 WeakPolarHBondContact O-CG2 3.11Å; P65-T150 PolarHBondContact O-N 2.99Å; P65-T150 PolarHBondContact O-OG1 3.4Å
66	V	96.6	Very high	93.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	136	-177.5	176.7	0	0	0	0	109.6	V56 L58 Q68 Y147 V148 S182	V56-V66 PolarHBondContact N-O 2.99Å; V56-V66 PolarHBondContact O-N 2.93Å; L58-V66 HydrophobicContact CD1-CG2 4.18Å; V66-Q68 HydrophobicContact CG1-CG 4.22Å; V66-Y147 HydrophobicContact CG1-CD1 4.49Å; V66-V148 CarbonylContact C-O 3.58Å; V66-V148 WeakPolarHBondContact CA-O 3.38Å; V66-V148 WeakPolarHBondContact CG1-O 3.32Å; V66-S182 WeakPolarHBondContact CG2-O 3.43Å
67	D	97.7	Very high	93.5	Very high	18 Å²	18	36 Å²	36	10%	0.096	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	113	167.9	-73	-23.8	0	0	0	108.9	P42 R55 Y69 V148 T150	P42-D67 HydrophobicContact CB-CB 4.2Å; P42-D67 HydrophobicContact CG-CB 4.06Å; R55-D67 WeakPolarHBondContact CA-OD1 3.27Å; R55-D67 WeakPolarHBondContact CB-OD1 3.41Å; R55-D67 WeakPolarHBondContact CG-OD1 3.42Å; R55-D67 IonicContact CZ-OD1 3.41Å; R55-D67 IonicContact CZ-OD2 2.75Å; R55-D67 IonicContact NE-OD1 2.76Å; R55-D67 PolarHBondContact NE-OD1 3.41Å; R55-D67 IonicContact NE-OD2 2.62Å; R55-D67 IonicContact NH2-OD1 3.48Å; R55-D67 PolarHBondContact NH2-OD1 3.41Å; R55-D67 IonicContact NH2-OD2 3.77Å; R55-D67 PolarHBondContact NH2-OD2 2.86Å; D67-Y69 HydrophobicContact CB-CE2 4.13Å; D67-V148 HydrophobicContact CB-CB 4.35Å; D67-V148 PolarHBondContact N-O 2.8Å; D67-V148 PolarHBondContact O-N 3.47Å; D67-T150 HydrophobicContact CB-CG2 4.49Å
68	Q	98.4	Very high	93.7	Very high	25 Å²	25	31.2 Å²	31.2	12%	0.117	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	133.3	-179.1	-65	-176.5	-8.3	0	0	111	G53 A54 V56 V66 L70 V146 Y147 S182	G53-Q68 CarbonylContact C-O 3.53Å; G53-Q68 WeakPolarHBondContact CA-O 3.34Å; A54-Q68 PolarHBondContact N-O 2.82Å; A54-Q68 PolarHBondContact O-N 3.22Å; V56-Q68 HydrophobicContact CB-CG 4.43Å; V56-Q68 HydrophobicContact CG2-CG 4.07Å; V66-Q68 HydrophobicContact CG1-CG 4.22Å; Q68-L70 HydrophobicContact CB-CD2 4.16Å; Q68-L70 HydrophobicContact CB-CG 4.31Å; Q68-V146 WeakPolarHBondContact CA-O 3.41Å; Q68-Y147 HydrophobicContact CG-CD1 3.9Å; Q68-Y147 HydrophobicContact CG-CE1 4.15Å; Q68-S182 PolarHBondContact NE2-OG 3.37Å
69	Y	98.6	Very high	93.9	Very high	9 Å²	9	34.2 Å²	34.2	4%	0.035	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	93.2	171.1	-59.2	-98.6	0	0	0	108.4	V44 L51 D67 A99 N145 V146 V148 F235	V44-Y69 HydrophobicContact CB-CE1 4.15Å; V44-Y69 HydrophobicContact CG2-CE1 4.19Å; V44-Y69 WeakPolarHBondContact CG2-OH 3.46Å; L51-Y69 HydrophobicContact CB-CD1 4.19Å; D67-Y69 HydrophobicContact CB-CE2 4.13Å; Y69-A99 CarbonylContact C-O 3.32Å; Y69-A99 WeakPolarHBondContact CA-O 3.5Å; Y69-N145 CarbonylContact O-C 3.59Å; Y69-N145 VanDerWaalsContact O-CA 3.31Å; Y69-N145 WeakPolarHBondContact O-CA 3.5Å; Y69-V146 HydrophobicContact CD2-CB 4.48Å; Y69-V146 PolarHBondContact N-O 3.3Å; Y69-V146 PolarHBondContact O-N 2.99Å; Y69-V148 HydrophobicContact CD2-CG2 4.38Å; Y69-V148 HydrophobicContact CE2-CG2 4.2Å; Y69-F235 AromaticContact CD1-CE1 3.93Å; Y69-F235 HydrophobicContact CD1-CE1 3.93Å; Y69-F235 AromaticContact CD2-CD1 3.87Å; Y69-F235 HydrophobicContact CD2-CD1 3.87Å; Y69-F235 AromaticContact CD2-CE1 3.72Å; Y69-F235 HydrophobicContact CD2-CE1 3.72Å; Y69-F235 HydrophobicContact CE1-CE1 4.14Å; Y69-F235 AromaticContact CE2-CD1 3.81Å; Y69-F235 HydrophobicContact CE2-CD1 3.81Å; Y69-F235 AromaticContact CE2-CE1 3.95Å; Y69-F235 HydrophobicContact CE2-CE1 3.95Å; Y69-F235 HydrophobicContact CG-CD1 4.34Å; Y69-F235 AromaticContact CG-CE1 3.72Å; Y69-F235 HydrophobicContact CG-CE1 3.72Å
70	L	98.4	Very high	94.5	Very high	12 Å²	12	31.3 Å²	31.3	6%	0.063	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	137.2	-174.8	-49.1	-177.6	0	0	0	110.3	Q68 A99 H101 F102 N145 Y147	Q68-L70 HydrophobicContact CB-CD2 4.16Å; Q68-L70 HydrophobicContact CB-CG 4.31Å; L70-A99 PolarHBondContact N-O 3.03Å; L70-A99 CarbonylContact O-C 3.57Å; L70-A99 WeakPolarHBondContact O-CA 3.17Å; L70-A99 VanDerWaalsContact O-CB 3.31Å; L70-A99 WeakPolarHBondContact O-CB 3.32Å; L70-H101 CarbonylContact C-O 3.09Å; L70-F102 HydrophobicContact CB-CD1 4.21Å; L70-F102 HydrophobicContact CB-CE1 4.4Å; L70-F102 HydrophobicContact CD1-CD1 4.33Å; L70-F102 HydrophobicContact CD1-CE1 4.06Å; L70-F102 HydrophobicContact CD1-CE2 4.32Å; L70-F102 HydrophobicContact CD1-CZ 4.06Å; L70-F102 HydrophobicContact CD2-CD1 4.49Å; L70-F102 HydrophobicContact CD2-CE1 3.85Å; L70-F102 HydrophobicContact CD2-CZ 4.3Å; L70-F102 HydrophobicContact CG-CE1 4.32Å; L70-N145 WeakPolarHBondContact CA-OD1 3.17Å; L70-N145 HydrophobicContact CD2-CB 3.93Å; L70-Y147 HydrophobicContact CD2-CE1 4.25Å
71	G	97.6	Very high	95.3	Very high	7 Å²	7	36.7 Å²	36.7	7%	0.072	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	72	42.5	178.5	0	0	0	0	0	115.3	Y143 L144 N145	G71-Y143 WeakPolarHBondContact O-CD1 3.38Å; G71-L144 PolarHBondContact N-O 2.82Å; G71-N145 PolarHBondContact N-OD1 3.24Å
72	V	98.6	Very high	96.2	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	119.6	173.9	-175.9	0	0	0	0	109.7	L51 Y74 A99 Y143 L144 W227	L51-V72 HydrophobicContact CD1-CB 4.44Å; L51-V72 HydrophobicContact CD1-CG1 3.61Å; L51-V72 HydrophobicContact CD1-CG2 3.95Å; L51-V72 HydrophobicContact CD2-CG1 4.38Å; V72-Y74 PolarHBondContact O-N 3.25Å; V72-A99 HydrophobicContact CG2-CB 4.09Å; V72-Y143 WeakPolarHBondContact O-CA 3.3Å; V72-L144 HydrophobicContact CB-CD1 3.96Å; V72-L144 WeakPolarHBondContact CB-O 3.36Å; V72-L144 HydrophobicContact CG1-CD1 4.39Å; V72-L144 PolarHBondContact N-O 2.89Å; V72-L144 PolarHBondContact O-N 3.4Å; V72-W227 HydrophobicContact CG1-CH2 3.74Å; V72-W227 HydrophobicContact CG1-CZ2 3.4Å; V72-W227 VanDerWaalsContact CG1-CZ2 3.4Å
73	P	98.4	Very high	97	Very high	7 Å²	7	26 Å²	26	5%	0.045	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	124.9	178.5	27.6	-33.3	0	0	0	110.4	P90 W93 Y143	P73-P90 HydrophobicContact CB-CB 4.36Å; P73-W93 HydrophobicContact CG-CH2 4.09Å; P73-W93 HydrophobicContact CG-CZ3 3.79Å; P73-Y143 HydrophobicContact CB-CD1 3.98Å; P73-Y143 HydrophobicContact CB-CE1 3.69Å; P73-Y143 HydrophobicContact CG-CE1 4.34Å
74	Y	98.6	Very high	97.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.142	C	C	.	.			trans	-107	-8.6	176.9	72.8	-102.8	0	0	0	113.4	V72 P90 L142 L144 N196 D220 Q223 A224	V72-Y74 PolarHBondContact O-N 3.25Å; Y74-P90 WeakPolarHBondContact O-CD 3.5Å; Y74-L142 WeakPolarHBondContact CD1-O 3.43Å; Y74-L142 HydrophobicContact CE1-CB 4.18Å; Y74-L142 HydrophobicContact CE2-CB 4.28Å; Y74-L142 PolarHBondContact N-O 2.84Å; Y74-L144 HydrophobicContact CD1-CB 4.08Å; Y74-L144 HydrophobicContact CD1-CD2 3.93Å; Y74-L144 HydrophobicContact CD1-CG 4.05Å; Y74-L144 HydrophobicContact CG-CD2 4.05Å; Y74-N196 WeakPolarHBondContact CE1-O 3.41Å; Y74-N196 PolarHBondContact OH-O 3.25Å; Y74-D220 WeakPolarHBondContact CE2-O 3.29Å; Y74-D220 PolarHBondContact OH-O 3.02Å; Y74-Q223 HydrophobicContact CD2-CB 4.47Å; Y74-Q223 HydrophobicContact CD2-CG 4.16Å; Y74-Q223 HydrophobicContact CE2-CB 4.38Å; Y74-Q223 HydrophobicContact CE2-CG 4.42Å; Y74-Q223 PolarHBondContact O-NE2 2.86Å; Y74-A224 HydrophobicContact CD1-CB 4.11Å; Y74-A224 VanDerWaalsContact CD2-CA 3.49Å; Y74-A224 HydrophobicContact CD2-CB 3.7Å; Y74-A224 HydrophobicContact CE1-CB 4.11Å; Y74-A224 HydrophobicContact CE2-CB 3.74Å; Y74-A224 HydrophobicContact CG-CB 3.9Å
75	A	98.6	Very high	97.7	Very high	4 Å²	4	28.5 Å²	28.5	3%	0.033	16%	0.158	C	C	.	.	S	Bend	trans	-146.3	168.1	176.6	0	0	0	0	0	110.9	P87 E88 L142 Q223	A75-P87 HydrophobicContact CB-CB 4.01Å; A75-E88 CarbonylContact C-O 3.55Å; A75-E88 WeakPolarHBondContact CA-O 3.44Å; A75-E88 VanDerWaalsContact CB-O 3.32Å; A75-E88 WeakPolarHBondContact CB-O 3.27Å; A75-L142 HydrophobicContact CB-CB 3.92Å; A75-L142 HydrophobicContact CB-CD1 3.64Å; A75-L142 HydrophobicContact CB-CG 4.45Å; A75-Q223 HydrophobicContact CB-CG 4.03Å
76	A	98.3	Very high	97.9	Very high	9 Å²	9	29.9 Å²	29.9	7%	0.074	17%	0.167	C	C	.	.			trans	-74.5	150.6	169.1	0	0	0	0	0	111.1	E88	A76-E88 HydrophobicContact CB-CB 4.21Å; A76-E88 PolarHBondContact N-O 3.28Å
77	P	98.1	Very high	98	Very high	37 Å²	37	30.8 Å²	30.8	24%	0.24	17%	0.173	C	C	.	.			trans	-57.4	125.7	178.4	-26	35.2	0	0	0	112.3	I79 D140	P77-I79 HydrophobicContact CB-CD1 4.24Å; P77-I79 HydrophobicContact CB-CG1 4.18Å; P77-I79 HydrophobicContact CB-CG2 4.2Å; P77-I79 PolarHBondContact O-N 2.87Å; P77-D140 HydrophobicContact CB-CB 4Å; P77-D140 HydrophobicContact CG-CB 4.34Å
78	P	97.8	Very high	98	Very high	5 Å²	5	34.5 Å²	34.5	3%	0.032	19%	0.19	C	C	.	.			trans	-81.8	46.4	-175.3	35	-38.2	0	0	0	112.6	K82 R83 E139 L142 R198	P78-K82 CarbonylContact O-C 3.02Å; P78-R83 WeakPolarHBondContact O-CA 3.2Å; P78-R83 PolarHBondContact O-N 3.07Å; P78-E139 VanDerWaalsContact CD-O 3.31Å; P78-E139 WeakPolarHBondContact CD-O 3.42Å; P78-E139 WeakPolarHBondContact CG-O 3.15Å; P78-L142 HydrophobicContact CB-CD1 4.25Å; P78-L142 HydrophobicContact CG-CD1 3.86Å; P78-L142 HydrophobicContact CG-CG 4Å; P78-R198 HydrophobicContact CG-CG 4.25Å
79	I	97.2	Very high	97.9	Very high	86 Å²	86	37 Å²	37	44%	0.441	21%	0.208	S	C	.	.			trans	-101	154.6	-171.2	64.4	177.7	0	0	0	113.1	P77 E81 K82 E139	P77-I79 HydrophobicContact CB-CD1 4.24Å; P77-I79 HydrophobicContact CB-CG1 4.18Å; P77-I79 HydrophobicContact CB-CG2 4.2Å; P77-I79 PolarHBondContact O-N 2.87Å; I79-E81 PolarHBondContact O-N 3Å; I79-K82 WeakPolarHBondContact O-CB 3.26Å; I79-K82 PolarHBondContact O-N 2.98Å; I79-K82 VanDerWaalsContact O-N 3.14Å; I79-E139 HydrophobicContact CG2-CB 3.66Å
80	G	95.3	Very high	97.8	Very high	37 Å²	37	36.8 Å²	36.8	38%	0.381	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	60.4	-126.6	179.5	0	0	0	0	0	111.4	K82 R83	G80-K82 PolarHBondContact O-N 3.1Å; G80-R83 VanDerWaalsContact O-CB 3.28Å; G80-R83 WeakPolarHBondContact O-CB 3.36Å; G80-R83 PolarHBondContact O-N 2.97Å
81	E	96.2	Very high	97.6	Very high	144 Å²	144	40.4 Å²	40.4	67%	0.673	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-56.2	-23.7	176.6	-54.3	-48.7	127	0	0	113.8	I79 R83 L85	I79-E81 PolarHBondContact O-N 3Å; E81-R83 VanDerWaalsContact C-N 3.28Å; E81-R83 PolarHBondContact O-N 3.26Å; E81-L85 WeakPolarHBondContact O-CD1 3.18Å
82	K	97.5	Very high	97.5	Very high	66 Å²	66	44.3 Å²	44.3	29%	0.287	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-79.9	-6.9	177	-61.5	-174.2	172.9	-170.5	0	113.7	P78 I79 G80 L85 E88	P78-K82 CarbonylContact O-C 3.02Å; I79-K82 WeakPolarHBondContact O-CB 3.26Å; I79-K82 PolarHBondContact O-N 2.98Å; I79-K82 VanDerWaalsContact O-N 3.14Å; G80-K82 PolarHBondContact O-N 3.1Å; K82-L85 PolarHBondContact O-N 2.91Å; K82-E88 VanDerWaalsContact CE-OE1 3.29Å; K82-E88 WeakPolarHBondContact CE-OE1 3.42Å; K82-E88 WeakPolarHBondContact CE-OE2 3.45Å; K82-E88 IonicContact NZ-OE1 3.84Å; K82-E88 PolarHBondContact NZ-OE1 2.88Å; K82-E88 IonicContact NZ-OE2 3.55Å; K82-E88 PolarHBondContact NZ-OE2 2.91Å
83	R	98.4	Very high	97.4	Very high	11 Å²	11	46.6 Å²	46.6	4%	0.042	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	137.2	172.3	-165.4	-166.6	-70.9	160	1.1	109.3	P78 G80 E81 L85 E139 L202 L312 R313 K315	P78-R83 WeakPolarHBondContact O-CA 3.2Å; P78-R83 PolarHBondContact O-N 3.07Å; G80-R83 VanDerWaalsContact O-CB 3.28Å; G80-R83 WeakPolarHBondContact O-CB 3.36Å; G80-R83 PolarHBondContact O-N 2.97Å; E81-R83 VanDerWaalsContact C-N 3.28Å; E81-R83 PolarHBondContact O-N 3.26Å; R83-L85 PolarHBondContact O-N 2.81Å; R83-E139 IonicContact CZ-OE1 2.75Å; R83-E139 IonicContact CZ-OE2 3.37Å; R83-E139 VanDerWaalsContact CZ-OE2 3.31Å; R83-E139 IonicContact NE-OE1 2.83Å; R83-E139 IonicContact NE-OE2 2.6Å; R83-E139 PolarHBondContact NE-OE2 3.35Å; R83-E139 VanDerWaalsContact NH2-CD 3.28Å; R83-E139 IonicContact NH2-OE1 2.69Å; R83-E139 PolarHBondContact NH2-OE1 3.08Å; R83-E139 IonicContact NH2-OE2 3.97Å; R83-E139 PolarHBondContact NH2-OE2 3Å; R83-L202 HydrophobicContact CG-CD2 3.98Å; R83-L312 PolarHBondContact NH1-O 3.5Å; R83-R313 HydrophobicContact CB-CG 4.45Å; R83-R313 PolarHBondContact NH1-O 2.84Å; R83-R313 PolarHBondContact O-NE 2.98Å; R83-K315 PolarHBondContact NH1-O 3.26Å; R83-K315 PolarHBondContact NH2-O 2.75Å
84	F	98.4	Very high	97.3	Very high	1 Å²	1	52 Å²	52	0%	0.004	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	32	-173.4	-41	-59.4	0	0	0	113.7	V201 L202 L205 Y216 V309 L312 R313 L320	F84-V201 HydrophobicContact CE1-CG1 4.23Å; F84-V201 HydrophobicContact CZ-CG1 4.4Å; F84-L202 HydrophobicContact CE1-CD2 4.24Å; F84-L202 HydrophobicContact CZ-CD2 4.39Å; F84-L205 HydrophobicContact CD1-CB 4.1Å; F84-L205 HydrophobicContact CD1-CD2 4.3Å; F84-L205 HydrophobicContact CE1-CB 3.96Å; F84-L205 HydrophobicContact CE1-CD1 4.23Å; F84-L205 HydrophobicContact CE1-CD2 4.45Å; F84-L205 HydrophobicContact CE1-CG 4.44Å; F84-L205 HydrophobicContact CG-CD2 4.49Å; F84-L205 HydrophobicContact CZ-CD1 4.29Å; F84-Y216 HydrophobicContact CB-CE2 3.84Å; F84-Y216 HydrophobicContact CD1-CE2 4.18Å; F84-Y216 WeakPolarHBondContact O-CE1 3.18Å; F84-Y216 PolarHBondContact O-OH 2.86Å; F84-V309 HydrophobicContact CB-CG1 4.45Å; F84-V309 HydrophobicContact CD2-CG1 4.04Å; F84-L312 HydrophobicContact CE2-CB 3.89Å; F84-L312 HydrophobicContact CZ-CB 4.43Å; F84-R313 HydrophobicContact CD2-CG 3.97Å; F84-R313 HydrophobicContact CE2-CG 4.33Å; F84-L320 HydrophobicContact CZ-CD1 4.1Å
85	L	98.2	Very high	97.2	Very high	74 Å²	74	54.7 Å²	54.7	39%	0.387	33%	0.333	S	S	.	.	S	Bend	trans	-124.8	160.2	168.9	-67.3	-176.3	0	0	0	111.4	E81 K82 R83 R198	E81-L85 WeakPolarHBondContact O-CD1 3.18Å; K82-L85 PolarHBondContact O-N 2.91Å; R83-L85 PolarHBondContact O-N 2.81Å; L85-R198 PolarHBondContact O-NH1 2.87Å; L85-R198 PolarHBondContact O-NH2 3.25Å
86	P	98.6	Very high	97.1	Very high	75 Å²	75	58.1 Å²	58.1	49%	0.487	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-52.8	147.6	168.6	-25.4	35	0	0	0	112.1	L219	P86-L219 HydrophobicContact CB-CD1 4.06Å; P86-L219 HydrophobicContact CG-CD1 4.03Å
87	P	98.5	Very high	97.1	Very high	20 Å²	20	62.2 Å²	62.2	13%	0.13	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-68.1	144.6	175.7	31.7	-35.6	0	0	0	111.2	A75 L142 L219 D220 Q223	A75-P87 HydrophobicContact CB-CB 4.01Å; P87-L142 HydrophobicContact CB-CD1 4.09Å; P87-L219 HydrophobicContact CG-CB 4.31Å; P87-L219 WeakPolarHBondContact CG-O 3.38Å; P87-D220 WeakPolarHBondContact CB-OD1 3.45Å; P87-D220 WeakPolarHBondContact CG-OD1 3.29Å; P87-Q223 HydrophobicContact CB-CB 4.26Å; P87-Q223 HydrophobicContact CB-CG 4.19Å; P87-Q223 HydrophobicContact CG-CB 3.61Å; P87-Q223 HydrophobicContact CG-CG 4.04Å
88	E	97.9	Very high	97	Very high	96 Å²	96	65 Å²	65	45%	0.449	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-98.6	156	169.9	-70.6	175.9	-158.3	0	0	110.6	A75 A76 K82	A75-E88 CarbonylContact C-O 3.55Å; A75-E88 WeakPolarHBondContact CA-O 3.44Å; A75-E88 VanDerWaalsContact CB-O 3.32Å; A75-E88 WeakPolarHBondContact CB-O 3.27Å; A76-E88 HydrophobicContact CB-CB 4.21Å; A76-E88 PolarHBondContact N-O 3.28Å; K82-E88 VanDerWaalsContact CE-OE1 3.29Å; K82-E88 WeakPolarHBondContact CE-OE1 3.42Å; K82-E88 WeakPolarHBondContact CE-OE2 3.45Å; K82-E88 IonicContact NZ-OE1 3.84Å; K82-E88 PolarHBondContact NZ-OE1 2.88Å; K82-E88 IonicContact NZ-OE2 3.55Å; K82-E88 PolarHBondContact NZ-OE2 2.91Å
89	P	96.9	Very high	97	Very high	77 Å²	77	64.9 Å²	64.9	50%	0.5	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-54.8	151.5	171.1	-26.3	35.7	0	0	0	113.2	F48	F48-P89 HydrophobicContact CE1-CB 4.37Å
90	P	96.3	Very high	97	Very high	5 Å²	5	62.7 Å²	62.7	3%	0.032	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-71.2	145.5	-175.8	28.8	-30.2	0	0	0	110.8	F48 P73 Y74 S92	F48-P90 HydrophobicContact CD1-CG 3.79Å; F48-P90 WeakPolarHBondContact CD1-O 3.2Å; F48-P90 HydrophobicContact CD2-CG 3.99Å; F48-P90 HydrophobicContact CE1-CG 3.77Å; F48-P90 WeakPolarHBondContact CE1-O 3.36Å; F48-P90 HydrophobicContact CE2-CG 3.97Å; F48-P90 HydrophobicContact CG-CG 3.9Å; F48-P90 HydrophobicContact CZ-CG 3.86Å; P73-P90 HydrophobicContact CB-CB 4.36Å; Y74-P90 WeakPolarHBondContact O-CD 3.5Å; P90-S92 PolarHBondContact O-N 3.46Å
91	P	93.5	Very high	97	Very high	87 Å²	87	68 Å²	68	57%	0.565	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-64.9	136.7	174.3	27.8	-34.1	0	0	0	110.3
92	S	96.5	Very high	97	Very high	90 Å²	90	65.1 Å²	65.1	63%	0.629	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-66.7	147.6	173.4	-57.8	0	0	0	0	111.6	F48 P90	F48-S92 CarbonylContact O-C 3.59Å; F48-S92 WeakPolarHBondContact O-CA 3.37Å; F48-S92 WeakPolarHBondContact O-CB 3.37Å; P90-S92 PolarHBondContact O-N 3.46Å
93	W	96.6	Very high	96.7	Very high	48 Å²	48	63.1 Å²	63.1	18%	0.182	36%	0.36	C	S	.	.			trans	-124.4	149.5	179.8	60.4	87.5	0	0	0	112.6	F48 K50 L51 P73 R97	F48-W93 HydrophobicContact CB-CE3 4.2Å; F48-W93 HydrophobicContact CB-CH2 3.84Å; F48-W93 HydrophobicContact CB-CZ3 3.62Å; F48-W93 PolarHBondContact O-N 2.97Å; K50-W93 PolarHBondContact O-NE1 3.19Å; L51-W93 HydrophobicContact CD2-CH2 4.16Å; L51-W93 HydrophobicContact CD2-CZ2 3.55Å; L51-W93 HydrophobicContact CG-CZ2 3.94Å; P73-W93 HydrophobicContact CG-CH2 4.09Å; P73-W93 HydrophobicContact CG-CZ3 3.79Å; W93-R97 HydrophobicContact CZ2-CB 4.49Å
94	S	95.6	Very high	96.5	Very high	121 Å²	121	65 Å²	65	85%	0.846	37%	0.374	S	S	*	.	S	Bend	trans	-89.3	158.5	171.5	62.9	0	0	0	0	111.4
95	G	96	Very high	96.4	Very high	55 Å²	55	65.1 Å²	65.1	57%	0.567	37%	0.374	S	S	*	.	S	Bend	trans	76.1	-143.6	-178.9	0	0	0	0	0	113.4
96	I	97.3	Very high	96.4	Very high	77 Å²	77	61.8 Å²	61.8	40%	0.395	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	120.4	-179.7	-56.8	173.2	0	0	0	107.8	K50 R52	K50-I96 HydrophobicContact CB-CB 4.38Å; K50-I96 HydrophobicContact CB-CG1 3.96Å; K50-I96 HydrophobicContact CB-CG2 4.43Å; K50-I96 HydrophobicContact CD-CG1 4.27Å; R52-I96 HydrophobicContact CB-CG2 3.72Å
97	R	97.4	Very high	96.3	Very high	94 Å²	94	58.8 Å²	58.8	36%	0.355	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	131.2	172.3	-179.9	173.4	-178.2	136.2	1.7	108.9	K50 L51 R52 W93	K50-R97 PolarHBondContact O-N 3.25Å; L51-R97 CarbonylContact C-O 3.57Å; L51-R97 WeakPolarHBondContact CA-O 3.2Å; L51-R97 HydrophobicContact CD2-CB 4.24Å; L51-R97 HydrophobicContact CD2-CG 4.45Å; R52-R97 PolarHBondContact N-O 3.39Å; W93-R97 HydrophobicContact CZ2-CB 4.49Å
98	N	97.7	Very high	96.1	Very high	97 Å²	97	58.6 Å²	58.6	52%	0.519	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	136.1	171.3	-66.5	-26.6	0	0	0	109.1	R52	R52-N98 PolarHBondContact NH1-OD1 3.17Å
99	A	97.7	Very high	95.6	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.008	32%	0.321	C	S	.	.			trans	-129.6	61.3	176.7	0	0	0	0	0	108.2	L51 R52 Y69 L70 V72	L51-A99 HydrophobicContact CD2-CB 4.26Å; R52-A99 PolarHBondContact O-N 3.3Å; Y69-A99 CarbonylContact C-O 3.32Å; Y69-A99 WeakPolarHBondContact CA-O 3.5Å; L70-A99 PolarHBondContact N-O 3.03Å; L70-A99 CarbonylContact O-C 3.57Å; L70-A99 WeakPolarHBondContact O-CA 3.17Å; L70-A99 VanDerWaalsContact O-CB 3.31Å; L70-A99 WeakPolarHBondContact O-CB 3.32Å; V72-A99 HydrophobicContact CG2-CB 4.09Å
100	T	96.8	Very high	94.9	Very high	41 Å²	41	52.4 Å²	52.4	25%	0.252	30%	0.301	S	S	.	.	B	Isolated β-bridge	trans	-118.9	-3.1	-170.2	57	0	0	0	0	113.7	A54	A54-T100 HydrophobicContact CB-CG2 4.19Å
101	H	95.6	Very high	93.5	Very high	147 Å²	147	59.9 Å²	59.9	68%	0.681	34%	0.335	S	S	*	.	S	Bend	trans	-143.1	152.1	-178.3	-55.8	-59.3	0	0	0	109.3	L70	L70-H101 CarbonylContact C-O 3.09Å
102	F	95.9	Very high	92.1	Very high	84 Å²	84	58.4 Å²	58.4	37%	0.368	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-65.4	142.2	172.3	-63.2	-61.5	0	0	0	110.9	L70 N145 N177	L70-F102 HydrophobicContact CB-CD1 4.21Å; L70-F102 HydrophobicContact CB-CE1 4.4Å; L70-F102 HydrophobicContact CD1-CD1 4.33Å; L70-F102 HydrophobicContact CD1-CE1 4.06Å; L70-F102 HydrophobicContact CD1-CE2 4.32Å; L70-F102 HydrophobicContact CD1-CZ 4.06Å; L70-F102 HydrophobicContact CD2-CD1 4.49Å; L70-F102 HydrophobicContact CD2-CE1 3.85Å; L70-F102 HydrophobicContact CD2-CZ 4.3Å; L70-F102 HydrophobicContact CG-CE1 4.32Å; F102-N145 WeakPolarHBondContact CD1-OD1 3.34Å; F102-N145 HydrophobicContact CE1-CB 4.44Å; F102-N177 HydrophobicContact CB-CB 4.5Å; F102-N177 HydrophobicContact CD1-CB 3.86Å; F102-N177 WeakPolarHBondContact CD1-OD1 3.22Å; F102-N177 HydrophobicContact CD2-CB 4.34Å; F102-N177 HydrophobicContact CE1-CB 4.09Å; F102-N177 HydrophobicContact CG-CB 3.99Å; F102-N177 HydrophobicContact CZ-CB 4.44Å
103	P	91.7	Very high	90.4	Very high	24 Å²	24	57.7 Å²	57.7	16%	0.156	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-84.4	171.4	171	36.1	-30.7	0	0	0	110.3	Y143	P103-Y143 HydrophobicContact CB-CD1 4.31Å; P103-Y143 HydrophobicContact CB-CD2 3.69Å; P103-Y143 HydrophobicContact CB-CE2 4.02Å; P103-Y143 HydrophobicContact CB-CG 3.91Å; P103-Y143 VanDerWaalsContact CG-CB 3.45Å; P103-Y143 HydrophobicContact CG-CD1 4.05Å; P103-Y143 HydrophobicContact CG-CD2 3.51Å; P103-Y143 HydrophobicContact CG-CE2 4.33Å; P103-Y143 HydrophobicContact CG-CG 3.39Å
104	P	94.3	Very high	88.9	Confident	52 Å²	52	56.4 Å²	56.4	34%	0.338	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-46.2	142	167.2	-32.2	39	0	0	0	113.6	E136 N138	P104-E136 WeakPolarHBondContact CB-O 3.37Å; P104-N138 HydrophobicContact CB-CB 3.53Å; P104-N138 HydrophobicContact CG-CB 4.16Å
105	V	96.3	Very high	88	Confident	3 Å²	3	52.7 Å²	52.7	2%	0.018	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-82.6	163.7	172.6	-59.9	0	0	0	0	111.5	Y133 I134 P137 N138 T175	V105-Y133 VanDerWaalsContact CG1-O 3.26Å; V105-Y133 WeakPolarHBondContact CG1-O 3.49Å; V105-I134 HydrophobicContact CG2-CB 4.4Å; V105-I134 HydrophobicContact CG2-CG2 4.28Å; V105-P137 HydrophobicContact CG2-CB 4.28Å; V105-P137 WeakPolarHBondContact O-CA 3.27Å; V105-N138 PolarHBondContact O-N 2.89Å; V105-T175 HydrophobicContact CG1-CG2 3.9Å
106	C	97.8	Very high	87.3	Confident	4 Å²	4	54.1 Å²	54.1	3%	0.027	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-66	148.8	174.8	-60.3	0	0	0	0	111.8	Q108 C141 Y197 V199	C106-Q108 PolarHBondContact O-N 3.27Å; C106-Q108 PolarHBondContact O-NE2 2.94Å; C106-C141 VanDerWaalsContact CA-CB 3.47Å; C106-C141 WeakPolarHBondContact CA-SG 3.45Å; C106-C141 HydrophobicContact CB-CB 3.8Å; C106-C141 WeakPolarHBondContact CB-SG 3.4Å; C106-C141 WeakPolarHBondContact SG-CB 3.43Å; C106-C141 CovalentContact SG-SG 2.03Å; C106-C141 PolarHBondContact SG-SG 3.34Å; C106-Y197 PolarHBondContact SG-O 3.48Å; C106-V199 HydrophobicContact CB-CG2 3.99Å
107	P	96.9	Very high	86.8	Confident	12 Å²	12	51.8 Å²	51.8	8%	0.078	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-65.1	124.2	-175.8	-21	35.8	0	0	0	112.4	P137 N138 E139 L202 A317 V321	P107-P137 HydrophobicContact CB-CB 4.44Å; P107-N138 VanDerWaalsContact CD-O 3.31Å; P107-N138 WeakPolarHBondContact CD-O 3.37Å; P107-E139 HydrophobicContact CG-CG 3.97Å; P107-L202 HydrophobicContact CB-CD1 3.86Å; P107-L202 HydrophobicContact CG-CD1 3.66Å; P107-A317 HydrophobicContact CB-CB 4.12Å; P107-A317 HydrophobicContact CG-CB 3.97Å; P107-V321 HydrophobicContact CB-CG2 4.19Å
108	Q	93.5	Very high	86.3	Confident	15 Å²	15	47.8 Å²	47.8	7%	0.07	26%	0.261	C	S	.	.			trans	-152	160.2	-174	60.9	-165.3	-90.3	0	0	109.7	C106 I134 M172 E173 G174 V199 V321	C106-Q108 PolarHBondContact O-N 3.27Å; C106-Q108 PolarHBondContact O-NE2 2.94Å; Q108-I134 HydrophobicContact CG-CG2 3.57Å; Q108-M172 WeakPolarHBondContact CB-O 3.38Å; Q108-E173 HydrophobicContact CB-CB 4.21Å; Q108-G174 PolarHBondContact NE2-O 2.87Å; Q108-G174 PolarHBondContact OE1-O 2.86Å; Q108-V199 HydrophobicContact CB-CG2 4.03Å; Q108-V321 VanDerWaalsContact C-CG1 3.49Å
109	N	87.3	Confident	85.9	Confident	30 Å²	30	43.2 Å²	43.2	16%	0.16	24%	0.237	C	C	.	.			trans	-134.4	110.3	178.5	-177.8	8.5	0	0	0	111.1	H111 T112 V321	N109-H111 WeakPolarHBondContact OD1-CB 3.45Å; N109-H111 PolarHBondContact OD1-N 2.83Å; N109-T112 WeakPolarHBondContact ND2-CG2 3.26Å; N109-T112 PolarHBondContact ND2-OG1 3.23Å; N109-T112 PolarHBondContact O-OG1 2.88Å; N109-V321 HydrophobicContact CB-CG1 3.98Å
110	I	81.9	Confident	85.6	Confident	14 Å²	14	43.6 Å²	43.6	7%	0.072	24%	0.239	C	C	.	.	S	Bend	trans	-96.9	1.8	178.6	61.2	170.5	0	0	0	113.4	F123 V130 A131 I134 E173	I110-F123 HydrophobicContact CG2-CZ 4.47Å; I110-V130 HydrophobicContact CD1-CG1 4.1Å; I110-A131 HydrophobicContact CD1-CB 3.77Å; I110-I134 HydrophobicContact CD1-CD1 4.1Å; I110-I134 HydrophobicContact CG2-CD1 3.87Å; I110-E173 HydrophobicContact CG2-CB 3.84Å; I110-E173 HydrophobicContact CG2-CG 4.06Å
111	H	67.8	Low	85.4	Confident	162 Å²	162	42 Å²	42	75%	0.75	23%	0.229	S	C	*	.	S	Bend	trans	-94.7	-12.6	-179.3	-57.9	-57	0	0	0	113.3	N109	N109-H111 WeakPolarHBondContact OD1-CB 3.45Å; N109-H111 PolarHBondContact OD1-N 2.83Å
112	T	63.4	Low	85.1	Confident	55 Å²	55	36.3 Å²	36.3	34%	0.337	20%	0.202	S	C	.	.	S	Bend	trans	-80.9	171.1	166.3	36.1	0	0	0	0	111.3	N109 V114	N109-T112 WeakPolarHBondContact ND2-CG2 3.26Å; N109-T112 PolarHBondContact ND2-OG1 3.23Å; N109-T112 PolarHBondContact O-OG1 2.88Å; T112-V114 PolarHBondContact O-N 2.71Å
113	A	60.7	Low	84.8	Confident	76 Å²	76	32.6 Å²	32.6	63%	0.628	19%	0.185	S	C	*	.			trans	-62.4	99.9	179	0	0	0	0	0	111.4
114	V	64.9	Low	84.6	Confident	21 Å²	21	32.2 Å²	32.2	13%	0.127	18%	0.182	C	C	.	.			trans	-76	145.9	175.4	-68.7	0	0	0	0	111	T112 E116 L119	T112-V114 PolarHBondContact O-N 2.71Å; V114-E116 VanDerWaalsContact C-N 3.27Å; V114-E116 HydrophobicContact CG2-CG 4.15Å; V114-E116 PolarHBondContact O-N 2.86Å; V114-L119 HydrophobicContact CB-CD1 3.75Å; V114-L119 HydrophobicContact CG1-CD1 4.45Å; V114-L119 HydrophobicContact CG2-CD1 3.9Å
115	P	77.8	Confident	84.2	Confident	42 Å²	42	31.4 Å²	31.4	27%	0.273	18%	0.18	S	C	.	.			trans	-71.9	76.4	175.6	-18.3	33.4	0	0	0	111.9	V117 M118 L119	P115-V117 PolarHBondContact O-N 2.8Å; P115-M118 HydrophobicContact CB-CB 4.33Å; P115-M118 HydrophobicContact CB-CE 4.11Å; P115-M118 HydrophobicContact CB-CG 3.87Å; P115-M118 HydrophobicContact CB-SD 3.88Å; P115-M118 HydrophobicContact CG-SD 4.49Å; P115-M118 WeakPolarHBondContact O-CB 3.44Å; P115-M118 PolarHBondContact O-N 2.87Å; P115-L119 PolarHBondContact O-N 2.73Å
116	E	81.3	Confident	83.7	Confident	86 Å²	86	32.1 Å²	32.1	40%	0.402	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-52.1	-32.7	-175.4	-70.5	-169.2	-137.8	0	0	114	V114 M118 L119 T124 K372	V114-E116 VanDerWaalsContact C-N 3.27Å; V114-E116 HydrophobicContact CG2-CG 4.15Å; V114-E116 PolarHBondContact O-N 2.86Å; E116-M118 PolarHBondContact O-N 2.65Å; E116-L119 PolarHBondContact O-N 3.34Å; E116-T124 HydrophobicContact CB-CG2 4.21Å; E116-T124 HydrophobicContact CG-CG2 4Å; E116-K372 HydrophobicContact CB-CD 4.38Å; E116-K372 WeakPolarHBondContact OE2-CE 3.3Å; E116-K372 IonicContact OE2-NZ 2.69Å; E116-K372 PolarHBondContact OE2-NZ 3.39Å
117	V	85.8	Confident	83.2	Confident	28 Å²	28	34.7 Å²	34.7	17%	0.17	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-65.9	-13.4	177	-60.8	0	0	0	0	114.9	P115 Y330 K372 F438	P115-V117 PolarHBondContact O-N 2.8Å; V117-Y330 HydrophobicContact CG2-CD1 4.33Å; V117-Y330 HydrophobicContact CG2-CE1 4.4Å; V117-K372 HydrophobicContact CG1-CB 4.23Å; V117-F438 HydrophobicContact CB-CE1 4.17Å; V117-F438 HydrophobicContact CB-CZ 4.3Å; V117-F438 HydrophobicContact CG2-CZ 4.48Å
118	M	86.9	Confident	82.8	Confident	9 Å²	9	41 Å²	41	4%	0.044	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-105.9	-16.9	177.5	-49.7	-171.4	-173.3	0	0	112.7	P115 E116 W281 V332 H483	P115-M118 HydrophobicContact CB-CB 4.33Å; P115-M118 HydrophobicContact CB-CE 4.11Å; P115-M118 HydrophobicContact CB-CG 3.87Å; P115-M118 HydrophobicContact CB-SD 3.88Å; P115-M118 HydrophobicContact CG-SD 4.49Å; P115-M118 WeakPolarHBondContact O-CB 3.44Å; P115-M118 PolarHBondContact O-N 2.87Å; E116-M118 PolarHBondContact O-N 2.65Å; M118-W281 HydrophobicContact CB-CE3 4.46Å; M118-W281 HydrophobicContact CB-CZ3 4.48Å; M118-W281 HydrophobicContact CE-CB 4.05Å; M118-W281 HydrophobicContact CE-CE3 3.89Å; M118-W281 HydrophobicContact CG-CD2 4.15Å; M118-W281 HydrophobicContact CG-CE3 3.55Å; M118-W281 HydrophobicContact CG-CZ3 3.74Å; M118-W281 HydrophobicContact SD-CB 3.92Å; M118-W281 HydrophobicContact SD-CD2 4.22Å; M118-W281 HydrophobicContact SD-CE3 3.92Å; M118-W281 HydrophobicContact SD-CG 4.29Å; M118-V332 HydrophobicContact SD-CG1 4.31Å; M118-H483 PolarHBondContact O-CD2 3.44Å
119	L	90.6	Very high	82.7	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.01	24%	0.239	C	C	.	.	S	Bend	trans	-91.9	147.4	-169.9	-74.4	174.4	0	0	0	112.2	V114 P115 E116 V121 F123 T124 G169	V114-L119 HydrophobicContact CB-CD1 3.75Å; V114-L119 HydrophobicContact CG1-CD1 4.45Å; V114-L119 HydrophobicContact CG2-CD1 3.9Å; P115-L119 PolarHBondContact O-N 2.73Å; E116-L119 PolarHBondContact O-N 3.34Å; L119-V121 PolarHBondContact O-N 3.19Å; L119-F123 HydrophobicContact CD1-CD1 4.15Å; L119-F123 HydrophobicContact CD1-CE1 4.24Å; L119-F123 HydrophobicContact CD2-CD1 4.39Å; L119-F123 HydrophobicContact CD2-CE1 4.46Å; L119-T124 HydrophobicContact CB-CG2 3.53Å; L119-T124 HydrophobicContact CD1-CG2 3.93Å; L119-T124 HydrophobicContact CG-CG2 4.39Å; L119-G169 VanDerWaalsContact CD2-C 3.47Å
120	P	91.6	Very high	82.9	Confident	8 Å²	8	41.2 Å²	41.2	5%	0.052	23%	0.231	C	C	.	.			trans	-56.5	136.5	171.8	-25.6	35.3	0	0	0	111.2	W122 F123 T124 H483	P120-W122 VanDerWaalsContact C-N 3.25Å; P120-W122 HydrophobicContact CB-CD2 4.1Å; P120-W122 HydrophobicContact CB-CG 4.29Å; P120-W122 HydrophobicContact CB-CZ2 3.86Å; P120-W122 HydrophobicContact CG-CZ2 4.05Å; P120-W122 PolarHBondContact O-N 3.08Å; P120-F123 HydrophobicContact CB-CB 4.25Å; P120-F123 WeakPolarHBondContact O-CA 3.46Å; P120-F123 VanDerWaalsContact O-CB 3.26Å; P120-F123 WeakPolarHBondContact O-CB 3.33Å; P120-F123 PolarHBondContact O-N 3.35Å; P120-T124 PolarHBondContact O-N 3.12Å; P120-H483 WeakPolarHBondContact CA-O 3.46Å
121	V	90.9	Very high	83.3	Confident	7 Å²	7	41.8 Å²	41.8	4%	0.042	24%	0.238	C	C	.	.	H	α-helix	trans	-64.2	-34.7	-172.2	-173.5	0	0	0	0	111.5	L119 F123 T124 A125 L371 K475 A482 H483	L119-V121 PolarHBondContact O-N 3.19Å; V121-F123 PolarHBondContact O-N 2.69Å; V121-T124 PolarHBondContact O-N 2.81Å; V121-T124 PolarHBondContact O-OG1 3.37Å; V121-A125 WeakPolarHBondContact O-CB 3.07Å; V121-A125 PolarHBondContact O-N 3.12Å; V121-L371 HydrophobicContact CG2-CD2 4.31Å; V121-K475 VanDerWaalsContact CB-CE 3.45Å; V121-K475 HydrophobicContact CG1-CD 4.48Å; V121-K475 HydrophobicContact CG1-CG 4.29Å; V121-A482 HydrophobicContact CG2-CB 3.95Å; V121-H483 PolarHBondContact N-O 2.96Å
122	W	89.8	Confident	84.4	Confident	29 Å²	29	37.4 Å²	37.4	11%	0.11	22%	0.223	C	C	.	.	H	α-helix	trans	-61.4	-28.9	174.7	58.6	-103.2	0	0	0	113.2	P120 N126 G484 V487 L501 F502	P120-W122 VanDerWaalsContact C-N 3.25Å; P120-W122 HydrophobicContact CB-CD2 4.1Å; P120-W122 HydrophobicContact CB-CG 4.29Å; P120-W122 HydrophobicContact CB-CZ2 3.86Å; P120-W122 HydrophobicContact CG-CZ2 4.05Å; P120-W122 PolarHBondContact O-N 3.08Å; W122-N126 PolarHBondContact O-N 2.94Å; W122-N126 PolarHBondContact O-ND2 3.44Å; W122-N126 VanDerWaalsContact O-ND2 3.09Å; W122-G484 VanDerWaalsContact CD1-O 3.25Å; W122-G484 PolarHBondContact NE1-O 2.89Å; W122-G484 VanDerWaalsContact NE1-O 3.15Å; W122-V487 HydrophobicContact CZ2-CG1 4.39Å; W122-L501 HydrophobicContact CE3-CD1 4.08Å; W122-L501 HydrophobicContact CE3-CD2 4.46Å; W122-L501 HydrophobicContact CE3-CG 4.17Å; W122-L501 HydrophobicContact CZ3-CD1 4.08Å; W122-L501 HydrophobicContact CZ3-CD2 4.11Å; W122-L501 HydrophobicContact CZ3-CG 4.24Å; W122-F502 HydrophobicContact CB-CD1 4.17Å; W122-F502 HydrophobicContact CB-CE1 4.14Å; W122-F502 AromaticContact CD1-CE1 3.85Å; W122-F502 HydrophobicContact CD2-CD1 4.46Å; W122-F502 AromaticContact CD2-CE1 3.61Å; W122-F502 HydrophobicContact CD2-CE1 3.61Å; W122-F502 HydrophobicContact CD2-CZ 4.18Å; W122-F502 AromaticContact CE2-CE1 3.92Å; W122-F502 HydrophobicContact CE3-CE1 4.08Å; W122-F502 HydrophobicContact CE3-CZ 4.34Å; W122-F502 HydrophobicContact CG-CD1 4.15Å; W122-F502 AromaticContact CG-CE1 3.62Å; W122-F502 HydrophobicContact CG-CE1 3.62Å; W122-F502 AromaticContact NE1-CE1 3.99Å
123	F	90.9	Very high	85.7	Confident	6 Å²	6	38.5 Å²	38.5	3%	0.026	22%	0.221	C	C	.	.	H	α-helix	trans	-74.5	-52.7	176.8	-172.3	-76.5	0	0	0	110.1	I110 L119 P120 V121 A125 N126 L127 V130 I134 E173 M178	I110-F123 HydrophobicContact CG2-CZ 4.47Å; L119-F123 HydrophobicContact CD1-CD1 4.15Å; L119-F123 HydrophobicContact CD1-CE1 4.24Å; L119-F123 HydrophobicContact CD2-CD1 4.39Å; L119-F123 HydrophobicContact CD2-CE1 4.46Å; P120-F123 HydrophobicContact CB-CB 4.25Å; P120-F123 WeakPolarHBondContact O-CA 3.46Å; P120-F123 VanDerWaalsContact O-CB 3.26Å; P120-F123 WeakPolarHBondContact O-CB 3.33Å; P120-F123 PolarHBondContact O-N 3.35Å; V121-F123 PolarHBondContact O-N 2.69Å; F123-A125 VanDerWaalsContact C-N 3.26Å; F123-A125 PolarHBondContact O-N 2.75Å; F123-N126 PolarHBondContact O-N 3.47Å; F123-L127 HydrophobicContact CD1-CD2 4.18Å; F123-L127 HydrophobicContact CE1-CD2 4.12Å; F123-V130 HydrophobicContact CD1-CG1 4.24Å; F123-V130 HydrophobicContact CD1-CG2 4.48Å; F123-V130 HydrophobicContact CD2-CG1 4.14Å; F123-V130 HydrophobicContact CD2-CG2 3.97Å; F123-V130 HydrophobicContact CE1-CG1 3.77Å; F123-V130 HydrophobicContact CE2-CG1 3.66Å; F123-V130 HydrophobicContact CE2-CG2 4.31Å; F123-V130 HydrophobicContact CG-CG1 4.41Å; F123-V130 HydrophobicContact CG-CG2 4.07Å; F123-V130 HydrophobicContact CZ-CG1 3.46Å; F123-V130 VanDerWaalsContact CZ-CG1 3.46Å; F123-I134 HydrophobicContact CZ-CD1 4.49Å; F123-E173 HydrophobicContact CE1-CG 4.13Å; F123-E173 HydrophobicContact CZ-CG 3.79Å; F123-M178 HydrophobicContact CD2-SD 4.23Å; F123-M178 HydrophobicContact CE2-CE 3.87Å; F123-M178 HydrophobicContact CE2-SD 3.88Å
124	T	87.3	Confident	87.1	Confident	15 Å²	15	35.6 Å²	35.6	9%	0.092	20%	0.195	C	C	.	.	H	α-helix	trans	-65	-29.5	179.4	55.2	0	0	0	0	113.3	E116 L119 P120 V121 K372	E116-T124 HydrophobicContact CB-CG2 4.21Å; E116-T124 HydrophobicContact CG-CG2 4Å; L119-T124 HydrophobicContact CB-CG2 3.53Å; L119-T124 HydrophobicContact CD1-CG2 3.93Å; L119-T124 HydrophobicContact CG-CG2 4.39Å; P120-T124 PolarHBondContact O-N 3.12Å; V121-T124 PolarHBondContact O-N 2.81Å; V121-T124 PolarHBondContact O-OG1 3.37Å; T124-K372 WeakPolarHBondContact OG1-CE 3.23Å
125	A	85.6	Confident	87.8	Confident	35 Å²	35	40.6 Å²	40.6	29%	0.289	22%	0.217	S	C	.	.	H	α-helix	trans	-76.1	-36.3	-179.4	0	0	0	0	0	112.1	V121 F123 M474	V121-A125 WeakPolarHBondContact O-CB 3.07Å; V121-A125 PolarHBondContact O-N 3.12Å; F123-A125 VanDerWaalsContact C-N 3.26Å; F123-A125 PolarHBondContact O-N 2.75Å; A125-M474 HydrophobicContact CB-CB 4.01Å; A125-M474 HydrophobicContact CB-CE 3.69Å; A125-M474 HydrophobicContact CB-SD 3.86Å; A125-M474 WeakPolarHBondContact O-CE 3.37Å
126	N	85.7	Confident	88	Confident	19 Å²	19	46.7 Å²	46.7	10%	0.102	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	41.7	-174.1	-64.1	-72.2	0	0	0	112.7	W122 F123 D128 I129 V130 M474 L501	W122-N126 PolarHBondContact O-N 2.94Å; W122-N126 PolarHBondContact O-ND2 3.44Å; W122-N126 VanDerWaalsContact O-ND2 3.09Å; F123-N126 PolarHBondContact O-N 3.47Å; N126-D128 PolarHBondContact O-N 3.35Å; N126-D128 VanDerWaalsContact O-N 3.14Å; N126-I129 HydrophobicContact CB-CB 4.29Å; N126-I129 PolarHBondContact O-N 3.01Å; N126-V130 PolarHBondContact O-N 3.35Å; N126-M474 WeakPolarHBondContact OD1-CE 3.39Å; N126-M474 PolarHBondContact OD1-SD 2.97Å; N126-L501 PolarHBondContact ND2-O 3.29Å
127	L	87.6	Confident	88.6	Confident	58 Å²	58	45.7 Å²	45.7	30%	0.304	24%	0.243	S	C	.	.	H	α-helix	trans	-54.3	-35.3	-175.8	-74.9	175.4	0	0	0	113.7	F123 I129 V130 A131	F123-L127 HydrophobicContact CD1-CD2 4.18Å; F123-L127 HydrophobicContact CE1-CD2 4.12Å; L127-I129 PolarHBondContact O-N 2.89Å; L127-V130 HydrophobicContact CD2-CG1 4.46Å; L127-V130 PolarHBondContact O-N 3.01Å; L127-A131 VanDerWaalsContact O-CB 3.3Å; L127-A131 WeakPolarHBondContact O-CB 3.4Å; L127-A131 PolarHBondContact O-N 2.88Å
128	D	88.6	Confident	89.1	Confident	144 Å²	144	48.1 Å²	48.1	77%	0.77	26%	0.255	S	S	*	.	H	α-helix	trans	-63.4	-39	175.9	-68.9	-30	0	0	0	112.7	N126	N126-D128 PolarHBondContact O-N 3.35Å; N126-D128 VanDerWaalsContact O-N 3.14Å
129	I	90.9	Very high	89.6	Confident	50 Å²	50	49.3 Å²	49.3	26%	0.256	26%	0.26	S	S	.	.	H	α-helix	trans	-76.5	-43.4	177.2	-57.4	-58.2	0	0	0	110.3	N126 L127 A131 T132 Y133 D500 L501	N126-I129 HydrophobicContact CB-CB 4.29Å; N126-I129 PolarHBondContact O-N 3.01Å; L127-I129 PolarHBondContact O-N 2.89Å; I129-A131 PolarHBondContact O-N 3.49Å; I129-T132 WeakPolarHBondContact O-CB 3.4Å; I129-T132 PolarHBondContact O-N 3.34Å; I129-T132 PolarHBondContact O-OG1 3.49Å; I129-Y133 HydrophobicContact CG2-CE2 4.13Å; I129-Y133 WeakPolarHBondContact O-CD2 3.18Å; I129-D500 HydrophobicContact CD1-CB 4.26Å; I129-D500 HydrophobicContact CG1-CB 4.46Å; I129-D500 HydrophobicContact CG2-CB 3.95Å; I129-L501 HydrophobicContact CG2-CB 4.4Å; I129-L501 HydrophobicContact CG2-CD1 4.4Å
130	V	90.8	Very high	89.9	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-53.2	-41.3	172.4	158.8	0	0	0	0	111.1	I110 F123 N126 L127 T132 Y133 I134 M178 L501	I110-V130 HydrophobicContact CD1-CG1 4.1Å; F123-V130 HydrophobicContact CD1-CG1 4.24Å; F123-V130 HydrophobicContact CD1-CG2 4.48Å; F123-V130 HydrophobicContact CD2-CG1 4.14Å; F123-V130 HydrophobicContact CD2-CG2 3.97Å; F123-V130 HydrophobicContact CE1-CG1 3.77Å; F123-V130 HydrophobicContact CE2-CG1 3.66Å; F123-V130 HydrophobicContact CE2-CG2 4.31Å; F123-V130 HydrophobicContact CG-CG1 4.41Å; F123-V130 HydrophobicContact CG-CG2 4.07Å; F123-V130 HydrophobicContact CZ-CG1 3.46Å; F123-V130 VanDerWaalsContact CZ-CG1 3.46Å; N126-V130 PolarHBondContact O-N 3.35Å; L127-V130 HydrophobicContact CD2-CG1 4.46Å; L127-V130 PolarHBondContact O-N 3.01Å; V130-T132 PolarHBondContact O-N 3.26Å; V130-Y133 PolarHBondContact O-N 2.6Å; V130-Y133 VanDerWaalsContact O-N 3.12Å; V130-I134 HydrophobicContact CG1-CD1 3.85Å; V130-I134 PolarHBondContact O-N 3.32Å; V130-M178 HydrophobicContact CB-CE 4.27Å; V130-M178 HydrophobicContact CG1-CE 3.72Å; V130-M178 HydrophobicContact CG2-CE 4.44Å; V130-L501 HydrophobicContact CG2-CD1 3.8Å
131	A	90.2	Very high	90.2	Very high	25 Å²	25	51.1 Å²	51.1	21%	0.207	27%	0.27	C	S	.	.	H	α-helix	trans	-60.4	-29.4	174.9	0	0	0	0	0	113.2	I110 L127 I129 Y133 I134 Q135	I110-A131 HydrophobicContact CD1-CB 3.77Å; L127-A131 VanDerWaalsContact O-CB 3.3Å; L127-A131 WeakPolarHBondContact O-CB 3.4Å; L127-A131 PolarHBondContact O-N 2.88Å; I129-A131 PolarHBondContact O-N 3.49Å; A131-Y133 VanDerWaalsContact C-N 3.32Å; A131-Y133 PolarHBondContact O-N 2.99Å; A131-I134 PolarHBondContact O-N 3.02Å; A131-Q135 VanDerWaalsContact O-CG 3.23Å; A131-Q135 WeakPolarHBondContact O-CG 3.32Å; A131-Q135 PolarHBondContact O-N 3.49Å
132	T	91.8	Very high	90.6	Very high	71 Å²	71	50.9 Å²	50.9	44%	0.436	27%	0.268	S	S	.	.	H	α-helix	trans	-67.7	-30.4	175.9	73.2	0	0	0	0	113.2	I129 V130 I134	I129-T132 WeakPolarHBondContact O-CB 3.4Å; I129-T132 PolarHBondContact O-N 3.34Å; I129-T132 PolarHBondContact O-OG1 3.49Å; V130-T132 PolarHBondContact O-N 3.26Å; T132-I134 VanDerWaalsContact C-N 3.33Å
133	Y	90.8	Very high	91	Very high	78 Å²	78	50.3 Å²	50.3	31%	0.306	27%	0.266	S	S	.	.	H	α-helix	trans	-79.7	-15.9	174.9	-69.5	-90.4	0	0	0	113.3	V105 I129 V130 A131 N177 M178	V105-Y133 VanDerWaalsContact CG1-O 3.26Å; V105-Y133 WeakPolarHBondContact CG1-O 3.49Å; I129-Y133 HydrophobicContact CG2-CE2 4.13Å; I129-Y133 WeakPolarHBondContact O-CD2 3.18Å; V130-Y133 PolarHBondContact O-N 2.6Å; V130-Y133 VanDerWaalsContact O-N 3.12Å; A131-Y133 VanDerWaalsContact C-N 3.32Å; A131-Y133 PolarHBondContact O-N 2.99Å; Y133-N177 WeakPolarHBondContact CE1-O 3.38Å; Y133-M178 HydrophobicContact CD1-CB 4.49Å; Y133-M178 HydrophobicContact CD1-CG 4.02Å; Y133-M178 HydrophobicContact CD2-CG 4.1Å; Y133-M178 HydrophobicContact CG-CG 3.66Å
134	I	88.6	Confident	91.4	Very high	14 Å²	14	50 Å²	50	7%	0.072	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	4.2	-175.8	-69	164.4	0	0	0	112.1	V105 Q108 I110 F123 V130 A131 T132 M178	V105-I134 HydrophobicContact CG2-CB 4.4Å; V105-I134 HydrophobicContact CG2-CG2 4.28Å; Q108-I134 HydrophobicContact CG-CG2 3.57Å; I110-I134 HydrophobicContact CD1-CD1 4.1Å; I110-I134 HydrophobicContact CG2-CD1 3.87Å; F123-I134 HydrophobicContact CZ-CD1 4.49Å; V130-I134 HydrophobicContact CG1-CD1 3.85Å; V130-I134 PolarHBondContact O-N 3.32Å; A131-I134 PolarHBondContact O-N 3.02Å; T132-I134 VanDerWaalsContact C-N 3.33Å; I134-M178 HydrophobicContact CD1-CE 3.53Å; I134-M178 HydrophobicContact CG1-CE 3.77Å
135	Q	80.9	Confident	92	Very high	127 Å²	127	49.3 Å²	49.3	59%	0.593	26%	0.26	S	S	*	.			trans	-61.8	149	-179.8	-61	-172.8	-0.7	0	0	112.6	A131	A131-Q135 VanDerWaalsContact O-CG 3.23Å; A131-Q135 WeakPolarHBondContact O-CG 3.32Å; A131-Q135 PolarHBondContact O-N 3.49Å
136	E	82.6	Confident	92.6	Very high	169 Å²	169	47.7 Å²	47.7	79%	0.79	25%	0.247	S	C	*	.	S	Bend	trans	52.4	53.8	176.9	-54.1	-170	159	0	0	115.1	P104	P104-E136 WeakPolarHBondContact CB-O 3.37Å
137	P	92.3	Very high	93.2	Very high	66 Å²	66	46.9 Å²	46.9	43%	0.429	24%	0.242	S	C	.	.			trans	-61.3	143.4	-179.4	24.1	-32.9	0	0	0	113.1	V105 P107	V105-P137 HydrophobicContact CG2-CB 4.28Å; V105-P137 WeakPolarHBondContact O-CA 3.27Å; P107-P137 HydrophobicContact CB-CB 4.44Å
138	N	96.4	Very high	93.7	Very high	78 Å²	78	44.8 Å²	44.8	42%	0.417	23%	0.232	S	C	.	.			trans	-141.3	149	179.7	-158.7	-49.5	0	0	0	110.9	P104 V105 P107 D140 C141	P104-N138 HydrophobicContact CB-CB 3.53Å; P104-N138 HydrophobicContact CG-CB 4.16Å; V105-N138 PolarHBondContact O-N 2.89Å; P107-N138 VanDerWaalsContact CD-O 3.31Å; P107-N138 WeakPolarHBondContact CD-O 3.37Å; N138-D140 VanDerWaalsContact C-N 3.27Å; N138-D140 PolarHBondContact O-N 3.08Å; N138-D140 PolarHBondContact OD1-N 3.34Å; N138-C141 WeakPolarHBondContact O-CB 3.48Å
139	E	97.7	Very high	94	Very high	34 Å²	34	38.2 Å²	38.2	16%	0.159	20%	0.197	C	C	.	.	S	Bend	trans	-68.7	-26.9	172.7	-69	-179.2	-112.8	0	0	112.3	P78 I79 R83 P107 C141 L202 A317	P78-E139 VanDerWaalsContact CD-O 3.31Å; P78-E139 WeakPolarHBondContact CD-O 3.42Å; P78-E139 WeakPolarHBondContact CG-O 3.15Å; I79-E139 HydrophobicContact CG2-CB 3.66Å; R83-E139 IonicContact CZ-OE1 2.75Å; R83-E139 IonicContact CZ-OE2 3.37Å; R83-E139 VanDerWaalsContact CZ-OE2 3.31Å; R83-E139 IonicContact NE-OE1 2.83Å; R83-E139 IonicContact NE-OE2 2.6Å; R83-E139 PolarHBondContact NE-OE2 3.35Å; R83-E139 VanDerWaalsContact NH2-CD 3.28Å; R83-E139 IonicContact NH2-OE1 2.69Å; R83-E139 PolarHBondContact NH2-OE1 3.08Å; R83-E139 IonicContact NH2-OE2 3.97Å; R83-E139 PolarHBondContact NH2-OE2 3Å; P107-E139 HydrophobicContact CG-CG 3.97Å; E139-C141 VanDerWaalsContact C-N 3.28Å; E139-C141 PolarHBondContact O-N 2.95Å; E139-L202 HydrophobicContact CG-CD1 4.14Å; E139-A317 HydrophobicContact CG-CB 3.56Å; E139-A317 WeakPolarHBondContact OE1-CB 3.2Å
140	D	97.8	Very high	94	Very high	49 Å²	49	37.8 Å²	37.8	26%	0.262	20%	0.197	S	C	.	.			trans	-74	83.1	163.9	-173.9	-0.1	0	0	0	109.5	P77 N138 Y143	P77-D140 HydrophobicContact CB-CB 4Å; P77-D140 HydrophobicContact CG-CB 4.34Å; N138-D140 VanDerWaalsContact C-N 3.27Å; N138-D140 PolarHBondContact O-N 3.08Å; N138-D140 PolarHBondContact OD1-N 3.34Å; D140-Y143 WeakPolarHBondContact OD1-CE2 3.42Å; D140-Y143 PolarHBondContact OD1-OH 3.48Å; D140-Y143 PolarHBondContact OD2-OH 2.98Å
141	C	98	Very high	93.3	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.221	C	C	.	.			trans	-131.9	3	-175.6	66.9	0	0	0	0	115.4	C106 N138 E139 Y143 N196	C106-C141 VanDerWaalsContact CA-CB 3.47Å; C106-C141 WeakPolarHBondContact CA-SG 3.45Å; C106-C141 HydrophobicContact CB-CB 3.8Å; C106-C141 WeakPolarHBondContact CB-SG 3.4Å; C106-C141 WeakPolarHBondContact SG-CB 3.43Å; C106-C141 CovalentContact SG-SG 2.03Å; C106-C141 PolarHBondContact SG-SG 3.34Å; N138-C141 WeakPolarHBondContact O-CB 3.48Å; E139-C141 VanDerWaalsContact C-N 3.28Å; E139-C141 PolarHBondContact O-N 2.95Å; C141-Y143 VanDerWaalsContact C-N 3.26Å; C141-Y143 PolarHBondContact O-N 3.15Å; C141-N196 WeakPolarHBondContact O-CB 3.45Å
142	L	98.6	Very high	92.2	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	24%	0.242	C	C	.	.			trans	-79.7	72.3	-174.9	-58	-171.3	0	0	0	112.4	Y74 A75 P78 P87 R198 D220	Y74-L142 WeakPolarHBondContact CD1-O 3.43Å; Y74-L142 HydrophobicContact CE1-CB 4.18Å; Y74-L142 HydrophobicContact CE2-CB 4.28Å; Y74-L142 PolarHBondContact N-O 2.84Å; A75-L142 HydrophobicContact CB-CB 3.92Å; A75-L142 HydrophobicContact CB-CD1 3.64Å; A75-L142 HydrophobicContact CB-CG 4.45Å; P78-L142 HydrophobicContact CB-CD1 4.25Å; P78-L142 HydrophobicContact CG-CD1 3.86Å; P78-L142 HydrophobicContact CG-CG 4Å; P87-L142 HydrophobicContact CB-CD1 4.09Å; L142-R198 HydrophobicContact CD2-CG 4.15Å; L142-D220 HydrophobicContact CD2-CB 4.25Å; L142-D220 WeakPolarHBondContact CD2-OD2 3.49Å
143	Y	98.6	Very high	90.7	Very high	18 Å²	18	46.4 Å²	46.4	7%	0.071	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	151.6	-175.5	-63.3	-84.9	0	0	0	112.4	G71 V72 P73 P103 D140 C141 N196	G71-Y143 WeakPolarHBondContact O-CD1 3.38Å; V72-Y143 WeakPolarHBondContact O-CA 3.3Å; P73-Y143 HydrophobicContact CB-CD1 3.98Å; P73-Y143 HydrophobicContact CB-CE1 3.69Å; P73-Y143 HydrophobicContact CG-CE1 4.34Å; P103-Y143 HydrophobicContact CB-CD1 4.31Å; P103-Y143 HydrophobicContact CB-CD2 3.69Å; P103-Y143 HydrophobicContact CB-CE2 4.02Å; P103-Y143 HydrophobicContact CB-CG 3.91Å; P103-Y143 VanDerWaalsContact CG-CB 3.45Å; P103-Y143 HydrophobicContact CG-CD1 4.05Å; P103-Y143 HydrophobicContact CG-CD2 3.51Å; P103-Y143 HydrophobicContact CG-CE2 4.33Å; P103-Y143 HydrophobicContact CG-CG 3.39Å; D140-Y143 WeakPolarHBondContact OD1-CE2 3.42Å; D140-Y143 PolarHBondContact OD1-OH 3.48Å; D140-Y143 PolarHBondContact OD2-OH 2.98Å; C141-Y143 VanDerWaalsContact C-N 3.26Å; C141-Y143 PolarHBondContact O-N 3.15Å; Y143-N196 PolarHBondContact O-N 2.89Å
144	L	98.8	Very high	89.2	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	161.3	171.5	61.7	79.7	0	0	0	111.7	G71 V72 Y74 V146 I193 T194 L195 A224 W227 V228	G71-L144 PolarHBondContact N-O 2.82Å; V72-L144 HydrophobicContact CB-CD1 3.96Å; V72-L144 WeakPolarHBondContact CB-O 3.36Å; V72-L144 HydrophobicContact CG1-CD1 4.39Å; V72-L144 PolarHBondContact N-O 2.89Å; V72-L144 PolarHBondContact O-N 3.4Å; Y74-L144 HydrophobicContact CD1-CB 4.08Å; Y74-L144 HydrophobicContact CD1-CD2 3.93Å; Y74-L144 HydrophobicContact CD1-CG 4.05Å; Y74-L144 HydrophobicContact CG-CD2 4.05Å; L144-V146 HydrophobicContact CD1-CG2 3.58Å; L144-I193 HydrophobicContact CB-CG2 4.17Å; L144-I193 HydrophobicContact CD1-CG2 4.18Å; L144-I193 HydrophobicContact CD2-CG2 4.46Å; L144-T194 CarbonylContact C-O 3.51Å; L144-T194 VanDerWaalsContact CA-O 3.29Å; L144-T194 WeakPolarHBondContact CA-O 3.32Å; L144-T194 WeakPolarHBondContact CB-O 3.47Å; L144-L195 HydrophobicContact CB-CB 3.85Å; L144-A224 HydrophobicContact CD2-CB 4.32Å; L144-W227 HydrophobicContact CD1-CE3 4.17Å; L144-W227 HydrophobicContact CD1-CH2 4.17Å; L144-W227 HydrophobicContact CD1-CZ3 3.76Å; L144-W227 HydrophobicContact CD2-CD2 4.25Å; L144-W227 HydrophobicContact CD2-CE3 3.7Å; L144-W227 HydrophobicContact CD2-CZ3 4.15Å; L144-W227 HydrophobicContact CG-CE3 4.48Å; L144-V228 HydrophobicContact CD2-CG2 4.19Å
145	N	98.8	Very high	87.7	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	128.7	-178.2	-53.1	-55.9	0	0	0	108.4	Y69 L70 G71 F102 Y147 N177 I193 T194	Y69-N145 CarbonylContact O-C 3.59Å; Y69-N145 VanDerWaalsContact O-CA 3.31Å; Y69-N145 WeakPolarHBondContact O-CA 3.5Å; L70-N145 WeakPolarHBondContact CA-OD1 3.17Å; L70-N145 HydrophobicContact CD2-CB 3.93Å; G71-N145 PolarHBondContact N-OD1 3.24Å; F102-N145 WeakPolarHBondContact CD1-OD1 3.34Å; F102-N145 HydrophobicContact CE1-CB 4.44Å; N145-Y147 HydrophobicContact CB-CE2 3.84Å; N145-N177 PolarHBondContact ND2-OD1 2.91Å; N145-I193 VanDerWaalsContact O-CA 3.23Å; N145-I193 WeakPolarHBondContact O-CA 3.34Å; N145-I193 WeakPolarHBondContact O-CG2 3.09Å; N145-T194 PolarHBondContact N-O 3.34Å; N145-T194 PolarHBondContact ND2-OG1 2.87Å; N145-T194 VanDerWaalsContact ND2-OG1 3.11Å; N145-T194 PolarHBondContact O-N 3.48Å
146	V	98.8	Very high	86.7	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	128.1	-178.8	-168.3	0	0	0	0	109.9	Q68 Y69 L144 V148 I191 I193 I232 F235	Q68-V146 WeakPolarHBondContact CA-O 3.41Å; Y69-V146 HydrophobicContact CD2-CB 4.48Å; Y69-V146 PolarHBondContact N-O 3.3Å; Y69-V146 PolarHBondContact O-N 2.99Å; L144-V146 HydrophobicContact CD1-CG2 3.58Å; V146-V148 HydrophobicContact CG1-CG2 3.8Å; V146-I191 HydrophobicContact CG1-CG2 3.59Å; V146-I193 HydrophobicContact CG1-CG1 4.31Å; V146-I232 HydrophobicContact CG1-CD1 4.05Å; V146-F235 HydrophobicContact CG1-CD1 4.13Å; V146-F235 HydrophobicContact CG1-CG 4.39Å; V146-F235 HydrophobicContact CG2-CE1 4.49Å
147	Y	98.8	Very high	85.7	Confident	2 Å²	2	52.7 Å²	52.7	1%	0.008	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	105.7	179.5	-60	-95.5	0	0	0	109	V66 Q68 L70 N145 D180 S182 I191 V192 T194	V66-Y147 HydrophobicContact CG1-CD1 4.49Å; Q68-Y147 HydrophobicContact CG-CD1 3.9Å; Q68-Y147 HydrophobicContact CG-CE1 4.15Å; L70-Y147 HydrophobicContact CD2-CE1 4.25Å; N145-Y147 HydrophobicContact CB-CE2 3.84Å; Y147-D180 VanDerWaalsContact CE1-OD1 3.25Å; Y147-D180 WeakPolarHBondContact CE1-OD1 3.39Å; Y147-S182 VanDerWaalsContact CD1-OG 3.24Å; Y147-S182 WeakPolarHBondContact CD1-OG 3.45Å; Y147-I191 WeakPolarHBondContact O-CA 3.44Å; Y147-V192 PolarHBondContact N-O 3.19Å; Y147-V192 PolarHBondContact O-N 3.17Å; Y147-V192 VanDerWaalsContact O-N 3.08Å; Y147-T194 HydrophobicContact CE2-CG2 4.26Å
148	V	98.1	Very high	85.1	Confident	15 Å²	15	51.3 Å²	51.3	9%	0.091	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	119.6	-174.1	-173.8	0	0	0	0	110.1	V66 D67 Y69 V146 I191 F235	V66-V148 CarbonylContact C-O 3.58Å; V66-V148 WeakPolarHBondContact CA-O 3.38Å; V66-V148 WeakPolarHBondContact CG1-O 3.32Å; D67-V148 HydrophobicContact CB-CB 4.35Å; D67-V148 PolarHBondContact N-O 2.8Å; D67-V148 PolarHBondContact O-N 3.47Å; Y69-V148 HydrophobicContact CD2-CG2 4.38Å; Y69-V148 HydrophobicContact CE2-CG2 4.2Å; V146-V148 HydrophobicContact CG1-CG2 3.8Å; V148-I191 HydrophobicContact CG1-CD1 4.34Å; V148-I191 HydrophobicContact CG1-CG1 4.32Å; V148-I191 HydrophobicContact CG2-CD1 4.37Å; V148-I191 HydrophobicContact CG2-CG1 4.46Å; V148-I191 HydrophobicContact CG2-CG2 4.33Å; V148-F235 HydrophobicContact CG2-CB 4.07Å; V148-F235 HydrophobicContact CG2-CD1 4.2Å
149	P	95.7	Very high	84.9	Confident	6 Å²	6	49.8 Å²	49.8	4%	0.039	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	136.8	176.8	30.1	-33	0	0	0	110.2	K160 A185 V190	P149-K160 HydrophobicContact CG-CD 3.71Å; P149-A185 WeakPolarHBondContact CB-O 3.49Å; P149-V190 VanDerWaalsContact CD-O 3.27Å; P149-V190 WeakPolarHBondContact CD-O 3.16Å; P149-V190 WeakPolarHBondContact CG-O 3.04Å
150	T	90.4	Very high	84.8	Confident	40 Å²	40	48.8 Å²	48.8	25%	0.245	27%	0.265	C	S	.	.			trans	-86.3	-11.2	-175.3	61	0	0	0	0	114.3	P65 D67	P65-T150 WeakPolarHBondContact CG-OG1 3.44Å; P65-T150 WeakPolarHBondContact O-CB 3.08Å; P65-T150 VanDerWaalsContact O-CG2 3.26Å; P65-T150 WeakPolarHBondContact O-CG2 3.11Å; P65-T150 PolarHBondContact O-N 2.99Å; P65-T150 PolarHBondContact O-OG1 3.4Å; D67-T150 HydrophobicContact CB-CG2 4.49Å
151	E	76.1	Confident	84.8	Confident	110 Å²	110	46.5 Å²	46.5	51%	0.514	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-86.8	139.8	177.6	-65.4	-172.4	179.5	0	0	111.5	G64 K160 N189	G64-E151 VanDerWaalsContact CA-OE1 3.23Å; G64-E151 WeakPolarHBondContact CA-OE1 3.38Å; E151-K160 PolarHBondContact O-NZ 2.91Å; E151-N189 PolarHBondContact O-OD1 2.82Å
152	D	66.1	Low	84.9	Confident	121 Å²	121	46.5 Å²	46.5	65%	0.647	25%	0.253	S	S	*	.	P	Polyproline II helix	trans	-92	121.5	167.5	-69.4	-36.2	0	0	0	109.3	I154 K160	D152-I154 PolarHBondContact O-N 2.7Å; D152-K160 IonicContact OD1-NZ 3.54Å; D152-K160 PolarHBondContact OD1-NZ 3.45Å
153	D	61.7	Low	84.9	Confident	47 Å²	47	46.5 Å²	46.5	25%	0.251	25%	0.253	S	S	.	.	B	Isolated β-bridge	trans	-69.3	122.2	173.4	-177.5	-5.9	0	0	0	108.8	R155 D156 S157 N189	D153-R155 PolarHBondContact O-N 2.92Å; D153-R155 VanDerWaalsContact OD1-CB 3.32Å; D153-R155 WeakPolarHBondContact OD1-CB 3.31Å; D153-R155 WeakPolarHBondContact OD1-CG 3.43Å; D153-R155 PolarHBondContact OD1-N 2.71Å; D153-D156 CarbonylContact O-C 3.55Å; D153-D156 PolarHBondContact O-N 3.42Å; D153-S157 PolarHBondContact O-N 2.87Å; D153-N189 WeakPolarHBondContact CB-ND2 3.34Å
154	I	58.5	Low	84.9	Confident	174 Å²	174	45.6 Å²	45.6	89%	0.892	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-19.6	176.8	-56.7	171.4	0	0	0	111.2	D152	D152-I154 PolarHBondContact O-N 2.7Å
155	R	57.5	Low	84.9	Confident	191 Å²	191	45.9 Å²	45.9	72%	0.721	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-22.9	176.7	-54.8	179.3	178.1	-161.7	-0.4	114.8	D153	D153-R155 PolarHBondContact O-N 2.92Å; D153-R155 VanDerWaalsContact OD1-CB 3.32Å; D153-R155 WeakPolarHBondContact OD1-CB 3.31Å; D153-R155 WeakPolarHBondContact OD1-CG 3.43Å; D153-R155 PolarHBondContact OD1-N 2.71Å
156	D	60.6	Low	84.9	Confident	47 Å²	47	45.9 Å²	45.9	25%	0.251	25%	0.251	S	S	.	.	B	Isolated β-bridge	trans	-144.5	82.1	177.7	-170.5	2.3	0	0	0	109.5	D153 G158 R241	D153-D156 CarbonylContact O-C 3.55Å; D153-D156 PolarHBondContact O-N 3.42Å; D156-G158 PolarHBondContact O-N 2.82Å; D156-G158 PolarHBondContact OD1-N 3.28Å; D156-R241 IonicContact OD1-NH2 2.91Å; D156-R241 IonicContact OD2-CZ 3.39Å; D156-R241 IonicContact OD2-NH1 3.6Å; D156-R241 PolarHBondContact OD2-NH1 3.12Å; D156-R241 IonicContact OD2-NH2 3.26Å; D156-R241 PolarHBondContact OD2-NH2 3.41Å
157	S	61.1	Low	84.8	Confident	107 Å²	107	46.2 Å²	46.2	75%	0.748	25%	0.252	S	S	*	.			trans	-81.6	20.8	173.5	74	0	0	0	0	112.6	D153	D153-S157 PolarHBondContact O-N 2.87Å
158	G	79.9	Confident	84.3	Confident	38 Å²	38	46.8 Å²	46.8	39%	0.392	26%	0.258	S	S	.	.	S	Bend	trans	-92.3	-173.6	179.5	0	0	0	0	0	113.2	D156 K160	D156-G158 PolarHBondContact O-N 2.82Å; D156-G158 PolarHBondContact OD1-N 3.28Å; G158-K160 PolarHBondContact O-N 3.4Å
159	A	91.9	Very high	83.7	Confident	45 Å²	45	46.1 Å²	46.1	37%	0.372	26%	0.255	S	S	.	.	S	Bend	trans	-65.3	125.5	171.4	0	0	0	0	0	109.8	G236 D238 R241	A159-G236 CarbonylContact C-O 3.51Å; A159-G236 VanDerWaalsContact CA-O 3.29Å; A159-G236 WeakPolarHBondContact CA-O 3.3Å; A159-D238 HydrophobicContact CB-CB 3.92Å; A159-R241 PolarHBondContact O-NH2 2.86Å
160	K	95.6	Very high	83.3	Confident	14 Å²	14	46 Å²	46	6%	0.061	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	148.4	-167	-55.3	-178.6	-166.4	-71	0	111.5	P149 E151 D152 G158 N189 I191 G236 G237 D238	P149-K160 HydrophobicContact CG-CD 3.71Å; E151-K160 PolarHBondContact O-NZ 2.91Å; D152-K160 IonicContact OD1-NZ 3.54Å; D152-K160 PolarHBondContact OD1-NZ 3.45Å; G158-K160 PolarHBondContact O-N 3.4Å; K160-N189 WeakPolarHBondContact CD-OD1 3.31Å; K160-N189 WeakPolarHBondContact CE-OD1 3.04Å; K160-N189 PolarHBondContact NZ-OD1 2.97Å; K160-I191 HydrophobicContact CB-CG1 4.31Å; K160-G236 PolarHBondContact N-O 3.25Å; K160-G237 CarbonylContact O-C 3.46Å; K160-G237 VanDerWaalsContact O-CA 3.29Å; K160-G237 WeakPolarHBondContact O-CA 3.45Å; K160-D238 PolarHBondContact O-N 2.85Å
161	P	97.9	Very high	83.5	Confident	1 Å²	1	44 Å²	44	1%	0.006	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	154.6	170.1	-10.3	21.5	0	0	0	111.3	V190 I191 R241 K526	P161-V190 HydrophobicContact CB-CG1 4.06Å; P161-V190 HydrophobicContact CG-CG1 4Å; P161-I191 PolarHBondContact O-N 2.86Å; P161-R241 HydrophobicContact CB-CB 4.24Å; P161-K526 HydrophobicContact CB-CG 4.44Å; P161-K526 HydrophobicContact CG-CB 4.21Å; P161-K526 HydrophobicContact CG-CG 3.45Å; P161-K526 VanDerWaalsContact CG-CG 3.45Å
162	V	98.8	Very high	84.3	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	127.8	-176.3	-173.3	0	0	0	0	109.3	V164 I191 I193 V228 I232 R241 I242 T243	V162-V164 HydrophobicContact CG1-CG2 4.07Å; V162-I191 CarbonylContact C-O 3.51Å; V162-I191 WeakPolarHBondContact CA-O 3.29Å; V162-I193 HydrophobicContact CG1-CD1 3.71Å; V162-I193 HydrophobicContact CG1-CG1 4.18Å; V162-V228 HydrophobicContact CG1-CG1 4.03Å; V162-I232 HydrophobicContact CG1-CG1 4.07Å; V162-I232 HydrophobicContact CG2-CB 4.47Å; V162-I232 HydrophobicContact CG2-CG1 3.71Å; V162-I232 HydrophobicContact CG2-CG2 3.98Å; V162-R241 PolarHBondContact N-O 2.86Å; V162-I242 HydrophobicContact CB-CG1 4.11Å; V162-I242 HydrophobicContact CG2-CG1 4.5Å; V162-I242 CarbonylContact O-C 3.52Å; V162-I242 WeakPolarHBondContact O-CA 3.46Å; V162-T243 PolarHBondContact O-N 3.16Å
163	M	98.9	Very high	85.5	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	112.9	176.6	-65.1	-170.1	69.5	0	0	109.6	V190 I191 V192 I193 T243 F245 I271 W521 T522 A525	M163-V190 HydrophobicContact CG-CG2 4.32Å; M163-V190 HydrophobicContact SD-CG2 4.02Å; M163-I191 PolarHBondContact N-O 2.79Å; M163-V192 CarbonylContact O-C 3.46Å; M163-V192 WeakPolarHBondContact O-CA 3.33Å; M163-I193 PolarHBondContact O-N 2.92Å; M163-T243 CarbonylContact C-O 3.56Å; M163-T243 WeakPolarHBondContact CA-O 3.34Å; M163-F245 HydrophobicContact CB-CD1 4.24Å; M163-F245 HydrophobicContact CB-CE1 3.73Å; M163-F245 HydrophobicContact CB-CZ 4.47Å; M163-F245 HydrophobicContact CE-CD1 4.25Å; M163-F245 HydrophobicContact CE-CE1 4.19Å; M163-F245 HydrophobicContact CE-CE2 4.46Å; M163-F245 HydrophobicContact CE-CG 4.45Å; M163-F245 HydrophobicContact CE-CZ 4.29Å; M163-I271 HydrophobicContact CE-CD1 4Å; M163-W521 HydrophobicContact CE-CB 4.3Å; M163-T522 HydrophobicContact SD-CG2 4.1Å; M163-A525 HydrophobicContact CE-CB 4.3Å; M163-A525 HydrophobicContact CG-CB 3.61Å; M163-A525 HydrophobicContact SD-CB 3.69Å
164	V	98.9	Very high	87	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	111.2	-176.5	-174.7	0	0	0	0	109.5	V162 I193 L195 L225 V228 I242 T243 V244 F245	V162-V164 HydrophobicContact CG1-CG2 4.07Å; V164-I193 HydrophobicContact CG1-CB 4.48Å; V164-I193 HydrophobicContact CG1-CG2 4.5Å; V164-I193 HydrophobicContact CG2-CB 4.31Å; V164-I193 HydrophobicContact CG2-CD1 4.29Å; V164-L195 HydrophobicContact CG1-CD2 3.72Å; V164-L225 HydrophobicContact CB-CD2 4.26Å; V164-L225 HydrophobicContact CG1-CD2 4.05Å; V164-L225 HydrophobicContact CG2-CD2 4.24Å; V164-V228 HydrophobicContact CG2-CG1 4.25Å; V164-I242 HydrophobicContact CG2-CG2 3.94Å; V164-T243 PolarHBondContact N-O 2.93Å; V164-V244 WeakPolarHBondContact O-CA 3.32Å; V164-F245 WeakPolarHBondContact O-CD1 3.46Å; V164-F245 PolarHBondContact O-N 3.45Å
165	Y	98.9	Very high	88.8	Confident	6 Å²	6	25.8 Å²	25.8	2%	0.024	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	125.6	-179.8	-172.8	-110.9	0	0	0	112	H167 I179 I193 T194 F245 F491	Y165-H167 HydrophobicContact CE1-CB 4.01Å; Y165-I179 HydrophobicContact CD1-CB 4.45Å; Y165-I179 HydrophobicContact CD1-CG1 4.33Å; Y165-I179 HydrophobicContact CD1-CG2 4.28Å; Y165-I179 HydrophobicContact CE1-CB 4.38Å; Y165-I179 HydrophobicContact CE1-CG1 3.78Å; Y165-I179 HydrophobicContact CE1-CG2 4.37Å; Y165-I193 PolarHBondContact N-O 2.9Å; Y165-T194 HydrophobicContact CD1-CG2 4.48Å; Y165-F245 CarbonylContact C-O 3.56Å; Y165-F245 VanDerWaalsContact CA-O 3.3Å; Y165-F245 WeakPolarHBondContact CA-O 3.29Å; Y165-F245 HydrophobicContact CD2-CD1 4.28Å; Y165-F245 AromaticContact CD2-CD2 3.71Å; Y165-F245 HydrophobicContact CD2-CD2 3.71Å; Y165-F245 HydrophobicContact CD2-CE1 4.13Å; Y165-F245 AromaticContact CD2-CE2 3.57Å; Y165-F245 HydrophobicContact CD2-CE2 3.57Å; Y165-F245 HydrophobicContact CD2-CG 4.06Å; Y165-F245 AromaticContact CD2-CZ 3.79Å; Y165-F245 HydrophobicContact CD2-CZ 3.79Å; Y165-F245 WeakPolarHBondContact CD2-O 3.44Å; Y165-F245 HydrophobicContact CE2-CD2 4.29Å; Y165-F245 HydrophobicContact CE2-CE2 4.26Å; Y165-F245 HydrophobicContact CG-CE1 4.37Å; Y165-F245 HydrophobicContact CG-CE2 4.38Å; Y165-F245 HydrophobicContact CG-CZ 4.17Å; Y165-F491 HydrophobicContact CD1-CZ 4.17Å; Y165-F491 HydrophobicContact CD2-CE2 4.09Å; Y165-F491 AromaticContact CD2-CZ 3.6Å; Y165-F491 HydrophobicContact CD2-CZ 3.6Å; Y165-F491 HydrophobicContact CE1-CE2 4.5Å; Y165-F491 HydrophobicContact CE1-CZ 4.42Å; Y165-F491 AromaticContact CE2-CE2 3.85Å; Y165-F491 HydrophobicContact CE2-CE2 3.85Å; Y165-F491 AromaticContact CE2-CZ 3.87Å; Y165-F491 HydrophobicContact CE2-CZ 3.87Å; Y165-F491 HydrophobicContact CG-CE2 4.48Å; Y165-F491 AromaticContact CG-CZ 3.74Å; Y165-F491 HydrophobicContact CG-CZ 3.74Å
166	I	98.8	Very high	90.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	117.3	169.4	-58.6	177.5	0	0	0	107.4	L195 Y197 Q221 V244 F245 G246 G250 C253 V254 L257	I166-L195 HydrophobicContact CG1-CD2 4.33Å; I166-Y197 HydrophobicContact CG2-CD1 4.4Å; I166-Y197 HydrophobicContact CG2-CE1 3.81Å; I166-Q221 HydrophobicContact CD1-CB 4.33Å; I166-Q221 HydrophobicContact CD1-CG 4.25Å; I166-Q221 HydrophobicContact CG2-CG 4.41Å; I166-V244 HydrophobicContact CD1-CG1 3.57Å; I166-V244 HydrophobicContact CG1-CG1 4.09Å; I166-F245 PolarHBondContact N-O 2.92Å; I166-G246 VanDerWaalsContact O-CA 3.3Å; I166-G246 WeakPolarHBondContact O-CA 3.19Å; I166-G250 WeakPolarHBondContact O-CA 3.45Å; I166-C253 HydrophobicContact CG2-CB 3.81Å; I166-V254 HydrophobicContact CD1-CG2 4.33Å; I166-L257 HydrophobicContact CD1-CD1 3.42Å; I166-L257 VanDerWaalsContact CD1-CD1 3.42Å
167	H	97.2	Very high	92.4	Very high	7 Å²	7	14.9 Å²	14.9	3%	0.032	11%	0.105	C	C	.	.	P	Polyproline II helix	trans	-70.5	151.7	180	68.5	82.2	0	0	0	111.9	Y165 G176 L195 Y197 G250	Y165-H167 HydrophobicContact CE1-CB 4.01Å; H167-G176 PolarHBondContact CD2-N 2.9Å; H167-L195 PolarHBondContact CD2-O 3.2Å; H167-L195 VanDerWaalsContact CD2-O 3.31Å; H167-Y197 AromaticContact CD2-CE1 3.77Å; H167-Y197 AromaticContact CE1-CE1 3.54Å; H167-Y197 AromaticContact CE1-CZ 3.81Å; H167-Y197 AromaticContact NE2-CD1 3.71Å; H167-Y197 AromaticContact NE2-CE1 3.4Å; H167-Y197 WeakPolarHBondContact NE2-CE1 3.26Å; H167-Y197 PolarHBondContact O-OH 2.81Å; H167-Y197 VanDerWaalsContact O-OH 3.07Å; H167-G250 WeakPolarHBondContact O-CA 3.28Å
168	G	88.3	Confident	94	Very high	13 Å²	13	10.3 Å²	10.3	13%	0.134	7%	0.072	C	C	.	.			trans	-87.9	-156.4	167.5	0	0	0	0	0	112.8
169	G	85.7	Confident	94.7	Very high	2 Å²	2	8.7 Å²	8.7	2%	0.021	6%	0.055	C	C	.	.	S	Bend	trans	137.6	-151.2	-162	0	0	0	0	0	107.3	L119 I249	L119-G169 VanDerWaalsContact CD2-C 3.47Å; G169-I249 WeakPolarHBondContact O-CB 3.36Å; G169-I249 WeakPolarHBondContact O-CG1 3.26Å
170	S	86.1	Confident	95	Very high	2 Å²	2	10.4 Å²	10.4	1%	0.014	6%	0.058	C	C	.	.	S	Bend	trans	-113.8	26.8	168.2	67	0	0	0	0	112.1	M172 E173	S170-M172 PolarHBondContact O-N 3.08Å; S170-M172 VanDerWaalsContact O-N 3.15Å; S170-E173 WeakPolarHBondContact CA-OE1 3.38Å; S170-E173 VanDerWaalsContact CB-OE1 3.28Å; S170-E173 WeakPolarHBondContact CB-OE1 3.12Å; S170-E173 PolarHBondContact N-OE1 3.25Å; S170-E173 PolarHBondContact OG-OE1 2.9Å; S170-E173 PolarHBondContact OG-OE2 2.85Å
171	Y	94.1	Very high	95.1	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.055	C	C	.	.	S	Bend	trans	64.6	-16.2	-157.3	-57.8	-74.6	0	0	0	115.3	V199 G200 F204 I249 W281 A282 V332 P336	Y171-V199 CarbonylContact O-C 3.6Å; Y171-V199 WeakPolarHBondContact O-CA 3.32Å; Y171-V199 VanDerWaalsContact O-CB 3.23Å; Y171-V199 WeakPolarHBondContact O-CB 3.13Å; Y171-G200 PolarHBondContact O-N 2.83Å; Y171-F204 HydrophobicContact CD1-CE1 4.36Å; Y171-F204 AromaticContact CD1-CE2 3.98Å; Y171-F204 HydrophobicContact CD1-CE2 3.98Å; Y171-F204 AromaticContact CD1-CZ 3.75Å; Y171-F204 HydrophobicContact CD1-CZ 3.75Å; Y171-F204 HydrophobicContact CE1-CZ 4.41Å; Y171-F204 HydrophobicContact CG-CE2 4.33Å; Y171-F204 HydrophobicContact CG-CZ 4.48Å; Y171-I249 HydrophobicContact CD1-CG2 3.36Å; Y171-I249 HydrophobicContact CD2-CD1 4.16Å; Y171-I249 HydrophobicContact CD2-CG2 3.94Å; Y171-I249 HydrophobicContact CE1-CG2 3.32Å; Y171-I249 HydrophobicContact CE2-CD1 3.7Å; Y171-I249 HydrophobicContact CE2-CG1 4.44Å; Y171-I249 HydrophobicContact CE2-CG2 3.93Å; Y171-I249 HydrophobicContact CG-CG2 3.67Å; Y171-W281 WeakPolarHBondContact CE2-O 3.29Å; Y171-A282 PolarHBondContact OH-O 3.44Å; Y171-V332 HydrophobicContact CD2-CG1 4.16Å; Y171-V332 HydrophobicContact CD2-CG2 4.41Å; Y171-P336 HydrophobicContact CD1-CG 4.37Å; Y171-P336 HydrophobicContact CE1-CG 3.61Å; Y171-P336 VanDerWaalsContact CE2-CD 3.47Å; Y171-P336 HydrophobicContact CE2-CG 4.33Å
172	M	92.8	Very high	95.1	Very high	59 Å²	59	9.7 Å²	9.7	29%	0.291	5%	0.054	S	C	.	.	S	Bend	trans	-86.7	-25.6	-176.8	-61.9	-63.8	-70.1	0	0	114.2	Q108 S170 G200 F334	Q108-M172 WeakPolarHBondContact CB-O 3.38Å; S170-M172 PolarHBondContact O-N 3.08Å; S170-M172 VanDerWaalsContact O-N 3.15Å; M172-G200 WeakPolarHBondContact SD-CA 3.38Å; M172-F334 HydrophobicContact CE-CD2 4.18Å; M172-F334 HydrophobicContact SD-CB 3.95Å; M172-F334 HydrophobicContact SD-CD2 4.15Å
173	E	92.1	Very high	95	Very high	4 Å²	4	10.1 Å²	10.1	2%	0.019	6%	0.056	C	C	.	.	S	Bend	trans	-143.9	173.6	-177.1	64.8	-71.3	117.3	0	0	112.4	Q108 I110 F123 S170	Q108-E173 HydrophobicContact CB-CB 4.21Å; I110-E173 HydrophobicContact CG2-CB 3.84Å; I110-E173 HydrophobicContact CG2-CG 4.06Å; F123-E173 HydrophobicContact CE1-CG 4.13Å; F123-E173 HydrophobicContact CZ-CG 3.79Å; S170-E173 WeakPolarHBondContact CA-OE1 3.38Å; S170-E173 VanDerWaalsContact CB-OE1 3.28Å; S170-E173 WeakPolarHBondContact CB-OE1 3.12Å; S170-E173 PolarHBondContact N-OE1 3.25Å; S170-E173 PolarHBondContact OG-OE1 2.9Å; S170-E173 PolarHBondContact OG-OE2 2.85Å
174	G	93.6	Very high	95	Very high	4 Å²	4	10.1 Å²	10.1	4%	0.041	6%	0.056	C	C	.	.			trans	119.5	166.8	-178.6	0	0	0	0	0	113.1	Q108	Q108-G174 PolarHBondContact NE2-O 2.87Å; Q108-G174 PolarHBondContact OE1-O 2.86Å
175	T	96.5	Very high	95	Very high	2 Å²	2	10.1 Å²	10.1	1%	0.012	6%	0.056	C	C	.	.			trans	-158.8	146.3	170.7	169.8	0	0	0	0	110.4	V105 N177 M178 N196	V105-T175 HydrophobicContact CG1-CG2 3.9Å; T175-N177 HydrophobicContact CG2-CB 4.1Å; T175-N177 PolarHBondContact O-N 2.88Å; T175-N177 VanDerWaalsContact OG1-CB 3.31Å; T175-N177 WeakPolarHBondContact OG1-CB 3.34Å; T175-N177 PolarHBondContact OG1-N 2.84Å; T175-N177 PolarHBondContact OG1-ND2 2.74Å; T175-M178 HydrophobicContact CG2-CE 3.82Å; T175-M178 HydrophobicContact CG2-CG 3.8Å; T175-M178 HydrophobicContact CG2-SD 3.94Å; T175-M178 PolarHBondContact O-N 2.84Å; T175-N196 WeakPolarHBondContact CA-OD1 3.49Å; T175-N196 WeakPolarHBondContact CB-OD1 3.44Å; T175-N196 PolarHBondContact OG1-OD1 3.45Å
176	G	96.5	Very high	94.8	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.061	C	C	.	.	G	3₁₀ helix	trans	-64.5	-14.8	169.7	0	0	0	0	0	113.6	H167 M178 I179 T194 N196	H167-G176 PolarHBondContact CD2-N 2.9Å; G176-M178 VanDerWaalsContact C-N 3.29Å; G176-M178 PolarHBondContact O-N 3.38Å; G176-I179 PolarHBondContact O-N 2.98Å; G176-T194 VanDerWaalsContact O-CB 3.28Å; G176-T194 WeakPolarHBondContact O-CB 3.44Å; G176-T194 PolarHBondContact O-OG1 2.85Å; G176-N196 PolarHBondContact N-OD1 3.23Å
177	N	95.9	Very high	94.7	Very high	8 Å²	8	12.7 Å²	12.7	4%	0.043	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-71.2	-20.8	-179.8	-58.6	-12.6	0	0	0	113.1	F102 Y133 N145 T175 I179 N196	F102-N177 HydrophobicContact CB-CB 4.5Å; F102-N177 HydrophobicContact CD1-CB 3.86Å; F102-N177 WeakPolarHBondContact CD1-OD1 3.22Å; F102-N177 HydrophobicContact CD2-CB 4.34Å; F102-N177 HydrophobicContact CE1-CB 4.09Å; F102-N177 HydrophobicContact CG-CB 3.99Å; F102-N177 HydrophobicContact CZ-CB 4.44Å; Y133-N177 WeakPolarHBondContact CE1-O 3.38Å; N145-N177 PolarHBondContact ND2-OD1 2.91Å; T175-N177 HydrophobicContact CG2-CB 4.1Å; T175-N177 PolarHBondContact O-N 2.88Å; T175-N177 VanDerWaalsContact OG1-CB 3.31Å; T175-N177 WeakPolarHBondContact OG1-CB 3.34Å; T175-N177 PolarHBondContact OG1-N 2.84Å; T175-N177 PolarHBondContact OG1-ND2 2.74Å; N177-I179 PolarHBondContact O-N 2.86Å; N177-N196 PolarHBondContact OD1-ND2 2.88Å
178	M	95	Very high	94.7	Very high	11 Å²	11	12.4 Å²	12.4	5%	0.054	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-70	-16.1	177.3	-76.9	164	-178.3	0	0	113.8	F123 V130 Y133 I134 T175 G176 L501	F123-M178 HydrophobicContact CD2-SD 4.23Å; F123-M178 HydrophobicContact CE2-CE 3.87Å; F123-M178 HydrophobicContact CE2-SD 3.88Å; V130-M178 HydrophobicContact CB-CE 4.27Å; V130-M178 HydrophobicContact CG1-CE 3.72Å; V130-M178 HydrophobicContact CG2-CE 4.44Å; Y133-M178 HydrophobicContact CD1-CB 4.49Å; Y133-M178 HydrophobicContact CD1-CG 4.02Å; Y133-M178 HydrophobicContact CD2-CG 4.1Å; Y133-M178 HydrophobicContact CG-CG 3.66Å; I134-M178 HydrophobicContact CD1-CE 3.53Å; I134-M178 HydrophobicContact CG1-CE 3.77Å; T175-M178 HydrophobicContact CG2-CE 3.82Å; T175-M178 HydrophobicContact CG2-CG 3.8Å; T175-M178 HydrophobicContact CG2-SD 3.94Å; T175-M178 PolarHBondContact O-N 2.84Å; G176-M178 VanDerWaalsContact C-N 3.29Å; G176-M178 PolarHBondContact O-N 3.38Å; M178-L501 HydrophobicContact CB-CD2 3.95Å; M178-L501 HydrophobicContact CG-CD2 4.44Å; M178-L501 WeakPolarHBondContact O-CD2 3.31Å
179	I	95.6	Very high	95	Very high	5 Å²	5	12.6 Å²	12.6	3%	0.026	7%	0.066	C	C	.	.	S	Bend	trans	-115.7	111.3	-169.1	-61.5	-59.7	0	0	0	109.2	Y165 G176 N177 G181 T194 V487 F491 F502	Y165-I179 HydrophobicContact CD1-CB 4.45Å; Y165-I179 HydrophobicContact CD1-CG1 4.33Å; Y165-I179 HydrophobicContact CD1-CG2 4.28Å; Y165-I179 HydrophobicContact CE1-CB 4.38Å; Y165-I179 HydrophobicContact CE1-CG1 3.78Å; Y165-I179 HydrophobicContact CE1-CG2 4.37Å; G176-I179 PolarHBondContact O-N 2.98Å; N177-I179 PolarHBondContact O-N 2.86Å; I179-G181 PolarHBondContact O-N 2.82Å; I179-T194 HydrophobicContact CB-CG2 4.35Å; I179-T194 HydrophobicContact CG2-CG2 4.3Å; I179-V487 HydrophobicContact CD1-CG1 4.04Å; I179-F491 HydrophobicContact CG2-CD1 3.46Å; I179-F491 VanDerWaalsContact CG2-CD1 3.46Å; I179-F491 HydrophobicContact CG2-CD2 3.73Å; I179-F491 HydrophobicContact CG2-CE1 3.31Å; I179-F491 HydrophobicContact CG2-CE2 3.58Å; I179-F491 HydrophobicContact CG2-CG 3.68Å; I179-F491 HydrophobicContact CG2-CZ 3.38Å; I179-F502 HydrophobicContact CD1-CZ 4.31Å
180	D	96.8	Very high	95.6	Very high	81 Å²	81	12.5 Å²	12.5	43%	0.433	7%	0.065	S	C	.	.			trans	-81.1	110.1	175	-171.3	-5.1	0	0	0	110.6	Y147 S182	Y147-D180 VanDerWaalsContact CE1-OD1 3.25Å; Y147-D180 WeakPolarHBondContact CE1-OD1 3.39Å; D180-S182 PolarHBondContact O-N 2.88Å; D180-S182 WeakPolarHBondContact OD1-CB 3.29Å; D180-S182 PolarHBondContact OD1-N 2.77Å; D180-S182 PolarHBondContact OD1-OG 3.03Å
181	G	97.9	Very high	96.2	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.064	C	C	.	.			trans	-73.3	-7.3	176.5	0	0	0	0	0	114.8	I179 I183 L184 A185	I179-G181 PolarHBondContact O-N 2.82Å; G181-I183 PolarHBondContact O-N 2.97Å; G181-L184 PolarHBondContact O-N 3.25Å; G181-A185 VanDerWaalsContact O-CB 3.29Å; G181-A185 WeakPolarHBondContact O-CB 3.46Å; G181-A185 PolarHBondContact O-N 3.2Å
182	S	97.9	Very high	96.4	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-65.1	-40.9	-166.2	-53	0	0	0	0	114.2	V66 Q68 Y147 D180 A185 S186	V66-S182 WeakPolarHBondContact CG2-O 3.43Å; Q68-S182 PolarHBondContact NE2-OG 3.37Å; Y147-S182 VanDerWaalsContact CD1-OG 3.24Å; Y147-S182 WeakPolarHBondContact CD1-OG 3.45Å; D180-S182 PolarHBondContact O-N 2.88Å; D180-S182 WeakPolarHBondContact OD1-CB 3.29Å; D180-S182 PolarHBondContact OD1-N 2.77Å; D180-S182 PolarHBondContact OD1-OG 3.03Å; S182-A185 PolarHBondContact O-N 3.38Å; S182-S186 WeakPolarHBondContact O-CB 3.31Å; S182-S186 PolarHBondContact O-N 3.36Å
183	I	97.9	Very high	96.7	Very high	8 Å²	8	9.6 Å²	9.6	4%	0.041	5%	0.05	C	C	.	.	H	α-helix	trans	-68.3	-46.5	179.7	-53.5	-59.6	0	0	0	110.6	L58 L63 G181 A185 S186 Y187 M495 V496 M518	L58-I183 HydrophobicContact CD1-CD1 3.91Å; L58-I183 HydrophobicContact CD2-CD1 3.7Å; L58-I183 HydrophobicContact CG-CD1 4.26Å; L63-I183 HydrophobicContact CD1-CD1 3.95Å; L63-I183 HydrophobicContact CD1-CG2 3.93Å; G181-I183 PolarHBondContact O-N 2.97Å; I183-A185 VanDerWaalsContact C-N 3.32Å; I183-A185 PolarHBondContact O-N 3.38Å; I183-S186 PolarHBondContact O-N 3.26Å; I183-Y187 WeakPolarHBondContact O-CB 3.4Å; I183-Y187 PolarHBondContact O-N 2.83Å; I183-M495 HydrophobicContact CG2-CB 4.36Å; I183-M495 HydrophobicContact CG2-SD 4.01Å; I183-V496 HydrophobicContact CD1-CG1 3.45Å; I183-V496 VanDerWaalsContact CD1-CG1 3.45Å; I183-V496 HydrophobicContact CG1-CG1 3.94Å; I183-M518 HydrophobicContact CG2-CE 4.17Å; I183-M518 HydrophobicContact CG2-SD 4.35Å
184	L	98.4	Very high	97	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-61.2	-40.4	176.7	177.4	61.2	0	0	0	111.7	G181 G188 V192 F245 F491 M518 T522	G181-L184 PolarHBondContact O-N 3.25Å; L184-G188 WeakPolarHBondContact O-CA 3.35Å; L184-G188 PolarHBondContact O-N 3.01Å; L184-V192 HydrophobicContact CB-CG2 4.06Å; L184-V192 HydrophobicContact CD2-CG1 4.5Å; L184-V192 HydrophobicContact CD2-CG2 3.89Å; L184-V192 HydrophobicContact CG-CG2 3.76Å; L184-F245 HydrophobicContact CD2-CE2 4.42Å; L184-F245 HydrophobicContact CD2-CZ 3.98Å; L184-F491 HydrophobicContact CD2-CD1 4.15Å; L184-F491 HydrophobicContact CD2-CE1 4Å; L184-M518 HydrophobicContact CB-SD 4.26Å; L184-M518 HydrophobicContact CD1-CB 4.17Å; L184-M518 HydrophobicContact CD1-CG 3.89Å; L184-M518 HydrophobicContact CD1-SD 4.03Å; L184-T522 HydrophobicContact CD1-CG2 3.56Å
185	A	98.1	Very high	97.3	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-62.7	-51.7	176.4	0	0	0	0	0	111.9	P149 G181 S182 I183 N189 V190 V192	P149-A185 WeakPolarHBondContact CB-O 3.49Å; G181-A185 VanDerWaalsContact O-CB 3.29Å; G181-A185 WeakPolarHBondContact O-CB 3.46Å; G181-A185 PolarHBondContact O-N 3.2Å; S182-A185 PolarHBondContact O-N 3.38Å; I183-A185 VanDerWaalsContact C-N 3.32Å; I183-A185 PolarHBondContact O-N 3.38Å; A185-N189 VanDerWaalsContact O-CA 3.32Å; A185-N189 WeakPolarHBondContact O-CA 3.46Å; A185-N189 PolarHBondContact O-N 3.11Å; A185-V190 WeakPolarHBondContact CA-O 3.49Å; A185-V190 WeakPolarHBondContact CB-O 3.27Å; A185-V190 PolarHBondContact O-N 3.09Å; A185-V192 HydrophobicContact CB-CB 4.34Å; A185-V192 HydrophobicContact CB-CG2 3.89Å
186	S	96.6	Very high	97.4	Very high	16 Å²	16	9.2 Å²	9.2	11%	0.112	5%	0.048	C	C	.	.	H	α-helix	trans	-66.4	-52.2	-178.7	-175	0	0	0	0	112.3	L58 G64 S182 I183 G188 N189	L58-S186 VanDerWaalsContact CD1-CB 3.49Å; G64-S186 PolarHBondContact N-OG 2.99Å; G64-S186 PolarHBondContact O-OG 3.12Å; S182-S186 WeakPolarHBondContact O-CB 3.31Å; S182-S186 PolarHBondContact O-N 3.36Å; I183-S186 PolarHBondContact O-N 3.26Å; S186-G188 PolarHBondContact O-N 2.92Å; S186-N189 PolarHBondContact O-N 3.15Å
187	Y	96	Very high	97.5	Very high	44 Å²	44	9.3 Å²	9.3	17%	0.173	5%	0.048	C	C	.	.	H	α-helix	trans	-62.1	-43.3	178.2	-179.6	-85.5	0	0	0	112.2	L63 I183 M495 A515 M518 T519 I541	L63-Y187 HydrophobicContact CD2-CD2 4.31Å; I183-Y187 WeakPolarHBondContact O-CB 3.4Å; I183-Y187 PolarHBondContact O-N 2.83Å; Y187-M495 HydrophobicContact CD2-CE 3.76Å; Y187-M495 HydrophobicContact CD2-SD 4.04Å; Y187-M495 HydrophobicContact CE2-CE 3.74Å; Y187-A515 HydrophobicContact CE2-CB 4.06Å; Y187-A515 PolarHBondContact OH-O 3.23Å; Y187-M518 HydrophobicContact CD1-CB 3.62Å; Y187-M518 HydrophobicContact CD1-CE 3.86Å; Y187-M518 HydrophobicContact CD1-SD 4.3Å; Y187-M518 HydrophobicContact CD2-CE 4.02Å; Y187-M518 HydrophobicContact CE1-CB 3.74Å; Y187-M518 HydrophobicContact CE1-CE 4.4Å; Y187-M518 HydrophobicContact CG-CE 3.67Å; Y187-M518 HydrophobicContact CG-SD 4.39Å; Y187-T519 PolarHBondContact OH-OG1 3.07Å; Y187-I541 HydrophobicContact CD2-CG1 4.08Å; Y187-I541 HydrophobicContact CE2-CG1 3.93Å; Y187-I541 HydrophobicContact CE2-CG2 3.92Å
188	G	96	Very high	97.6	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.01	5%	0.047	C	C	.	.	H	α-helix	trans	-77.5	-20.7	-176.3	0	0	0	0	0	114.5	L184 S186 V190 K526	L184-G188 WeakPolarHBondContact O-CA 3.35Å; L184-G188 PolarHBondContact O-N 3.01Å; S186-G188 PolarHBondContact O-N 2.92Å; G188-V190 VanDerWaalsContact C-N 3.29Å; G188-K526 WeakPolarHBondContact O-CE 3.47Å; G188-K526 PolarHBondContact O-NZ 3.02Å
189	N	95.9	Very high	97.7	Very high	17 Å²	17	8.8 Å²	8.8	9%	0.091	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.5	55.1	-158.8	-178.1	44.9	0	0	0	111.3	E151 D153 K160 A185 S186	E151-N189 PolarHBondContact O-OD1 2.82Å; D153-N189 WeakPolarHBondContact CB-ND2 3.34Å; K160-N189 WeakPolarHBondContact CD-OD1 3.31Å; K160-N189 WeakPolarHBondContact CE-OD1 3.04Å; K160-N189 PolarHBondContact NZ-OD1 2.97Å; A185-N189 VanDerWaalsContact O-CA 3.32Å; A185-N189 WeakPolarHBondContact O-CA 3.46Å; A185-N189 PolarHBondContact O-N 3.11Å; S186-N189 PolarHBondContact O-N 3.15Å
190	V	97.8	Very high	97.7	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.045	C	C	.	.	S	Bend	trans	-130.9	153	175.3	-63	0	0	0	0	109	P149 P161 M163 A185 G188 V192 T522	P149-V190 VanDerWaalsContact CD-O 3.27Å; P149-V190 WeakPolarHBondContact CD-O 3.16Å; P149-V190 WeakPolarHBondContact CG-O 3.04Å; P161-V190 HydrophobicContact CB-CG1 4.06Å; P161-V190 HydrophobicContact CG-CG1 4Å; M163-V190 HydrophobicContact CG-CG2 4.32Å; M163-V190 HydrophobicContact SD-CG2 4.02Å; A185-V190 WeakPolarHBondContact CA-O 3.49Å; A185-V190 WeakPolarHBondContact CB-O 3.27Å; A185-V190 PolarHBondContact O-N 3.09Å; G188-V190 VanDerWaalsContact C-N 3.29Å; V190-V192 HydrophobicContact CG2-CG2 4.03Å; V190-T522 HydrophobicContact CG1-CG2 4.28Å; V190-T522 HydrophobicContact CG2-CG2 4.05Å
191	I	98.7	Very high	97.8	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.025	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	124.9	167.8	-61.2	179.7	0	0	0	107.8	V146 Y147 V148 K160 P161 V162 M163 I193 I232 F235	V146-I191 HydrophobicContact CG1-CG2 3.59Å; Y147-I191 WeakPolarHBondContact O-CA 3.44Å; V148-I191 HydrophobicContact CG1-CD1 4.34Å; V148-I191 HydrophobicContact CG1-CG1 4.32Å; V148-I191 HydrophobicContact CG2-CD1 4.37Å; V148-I191 HydrophobicContact CG2-CG1 4.46Å; V148-I191 HydrophobicContact CG2-CG2 4.33Å; K160-I191 HydrophobicContact CB-CG1 4.31Å; P161-I191 PolarHBondContact O-N 2.86Å; V162-I191 CarbonylContact C-O 3.51Å; V162-I191 WeakPolarHBondContact CA-O 3.29Å; M163-I191 PolarHBondContact N-O 2.79Å; I191-I193 HydrophobicContact CG2-CG1 4.23Å; I191-I232 HydrophobicContact CD1-CD1 4.44Å; I191-I232 HydrophobicContact CD1-CG1 4.33Å; I191-I232 HydrophobicContact CG2-CD1 4.05Å; I191-F235 HydrophobicContact CD1-CB 4.16Å; I191-F235 WeakPolarHBondContact CD1-O 3.25Å
192	V	98.9	Very high	97.8	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	139.5	173.3	-178.2	0	0	0	0	108.8	Y147 M163 L184 A185 V190	Y147-V192 PolarHBondContact N-O 3.19Å; Y147-V192 PolarHBondContact O-N 3.17Å; Y147-V192 VanDerWaalsContact O-N 3.08Å; M163-V192 CarbonylContact O-C 3.46Å; M163-V192 WeakPolarHBondContact O-CA 3.33Å; L184-V192 HydrophobicContact CB-CG2 4.06Å; L184-V192 HydrophobicContact CD2-CG1 4.5Å; L184-V192 HydrophobicContact CD2-CG2 3.89Å; L184-V192 HydrophobicContact CG-CG2 3.76Å; A185-V192 HydrophobicContact CB-CB 4.34Å; A185-V192 HydrophobicContact CB-CG2 3.89Å; V190-V192 HydrophobicContact CG2-CG2 4.03Å
193	I	98.9	Very high	97.8	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	132.9	175.9	-55.6	-176.8	0	0	0	108.5	L144 N145 V146 V162 M163 V164 Y165 I191 V228 I232	L144-I193 HydrophobicContact CB-CG2 4.17Å; L144-I193 HydrophobicContact CD1-CG2 4.18Å; L144-I193 HydrophobicContact CD2-CG2 4.46Å; N145-I193 VanDerWaalsContact O-CA 3.23Å; N145-I193 WeakPolarHBondContact O-CA 3.34Å; N145-I193 WeakPolarHBondContact O-CG2 3.09Å; V146-I193 HydrophobicContact CG1-CG1 4.31Å; V162-I193 HydrophobicContact CG1-CD1 3.71Å; V162-I193 HydrophobicContact CG1-CG1 4.18Å; M163-I193 PolarHBondContact O-N 2.92Å; V164-I193 HydrophobicContact CG1-CB 4.48Å; V164-I193 HydrophobicContact CG1-CG2 4.5Å; V164-I193 HydrophobicContact CG2-CB 4.31Å; V164-I193 HydrophobicContact CG2-CD1 4.29Å; Y165-I193 PolarHBondContact N-O 2.9Å; I191-I193 HydrophobicContact CG2-CG1 4.23Å; I193-V228 HydrophobicContact CD1-CB 4.33Å; I193-V228 HydrophobicContact CD1-CG1 3.77Å; I193-V228 HydrophobicContact CD1-CG2 3.52Å; I193-I232 HydrophobicContact CD1-CD1 3.64Å; I193-I232 HydrophobicContact CD1-CG1 4.32Å
194	T	98.8	Very high	97.8	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	2%	0.024	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	148.8	164.4	71.8	0	0	0	0	108.9	L144 N145 Y147 Y165 G176 I179	L144-T194 CarbonylContact C-O 3.51Å; L144-T194 VanDerWaalsContact CA-O 3.29Å; L144-T194 WeakPolarHBondContact CA-O 3.32Å; L144-T194 WeakPolarHBondContact CB-O 3.47Å; N145-T194 PolarHBondContact N-O 3.34Å; N145-T194 PolarHBondContact ND2-OG1 2.87Å; N145-T194 VanDerWaalsContact ND2-OG1 3.11Å; N145-T194 PolarHBondContact O-N 3.48Å; Y147-T194 HydrophobicContact CE2-CG2 4.26Å; Y165-T194 HydrophobicContact CD1-CG2 4.48Å; G176-T194 VanDerWaalsContact O-CB 3.28Å; G176-T194 WeakPolarHBondContact O-CB 3.44Å; G176-T194 PolarHBondContact O-OG1 2.85Å; I179-T194 HydrophobicContact CB-CG2 4.35Å; I179-T194 HydrophobicContact CG2-CG2 4.3Å
195	L	98.4	Very high	97.8	Very high	1 Å²	1	4.8 Å²	4.8	1%	0.005	2%	0.024	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	154.6	-177.4	70.2	97.6	0	0	0	112	L144 V164 I166 H167 Y197 Q221 A224	L144-L195 HydrophobicContact CB-CB 3.85Å; V164-L195 HydrophobicContact CG1-CD2 3.72Å; I166-L195 HydrophobicContact CG1-CD2 4.33Å; H167-L195 PolarHBondContact CD2-O 3.2Å; H167-L195 VanDerWaalsContact CD2-O 3.31Å; L195-Y197 HydrophobicContact CD1-CD1 3.92Å; L195-Q221 HydrophobicContact CD1-CG 4.12Å; L195-A224 HydrophobicContact CD1-CB 4.48Å; L195-A224 HydrophobicContact CD2-CB 3.97Å
196	N	98.3	Very high	97.9	Very high	2 Å²	2	5 Å²	5	1%	0.011	3%	0.026	C	C	.	.			trans	-105.6	133.5	168.4	-66.3	-40.3	0	0	0	109	Y74 C141 Y143 T175 G176 N177	Y74-N196 WeakPolarHBondContact CE1-O 3.41Å; Y74-N196 PolarHBondContact OH-O 3.25Å; C141-N196 WeakPolarHBondContact O-CB 3.45Å; Y143-N196 PolarHBondContact O-N 2.89Å; T175-N196 WeakPolarHBondContact CA-OD1 3.49Å; T175-N196 WeakPolarHBondContact CB-OD1 3.44Å; T175-N196 PolarHBondContact OG1-OD1 3.45Å; G176-N196 PolarHBondContact N-OD1 3.23Å; N177-N196 PolarHBondContact OD1-ND2 2.88Å
197	Y	98.7	Very high	97.9	Very high	1 Å²	1	4.6 Å²	4.6	0%	0.004	2%	0.022	C	C	.	.			trans	-124.3	158.4	174.2	60	-87.7	0	0	0	109.6	C106 I166 H167 L195 V199 F204 Q221	C106-Y197 PolarHBondContact SG-O 3.48Å; I166-Y197 HydrophobicContact CG2-CD1 4.4Å; I166-Y197 HydrophobicContact CG2-CE1 3.81Å; H167-Y197 AromaticContact CD2-CE1 3.77Å; H167-Y197 AromaticContact CE1-CE1 3.54Å; H167-Y197 AromaticContact CE1-CZ 3.81Å; H167-Y197 AromaticContact NE2-CD1 3.71Å; H167-Y197 AromaticContact NE2-CE1 3.4Å; H167-Y197 WeakPolarHBondContact NE2-CE1 3.26Å; H167-Y197 PolarHBondContact O-OH 2.81Å; H167-Y197 VanDerWaalsContact O-OH 3.07Å; L195-Y197 HydrophobicContact CD1-CD1 3.92Å; Y197-V199 HydrophobicContact CD2-CG1 4.5Å; Y197-V199 HydrophobicContact CE2-CG1 4.15Å; Y197-V199 PolarHBondContact O-N 2.83Å; Y197-F204 HydrophobicContact CD2-CZ 4.46Å; Y197-F204 HydrophobicContact CE2-CE2 4.32Å; Y197-F204 HydrophobicContact CE2-CZ 4.16Å; Y197-Q221 HydrophobicContact CD1-CG 3.96Å; Y197-Q221 HydrophobicContact CG-CG 3.91Å
198	R	98.6	Very high	98	Very high	8 Å²	8	5.1 Å²	5.1	3%	0.03	4%	0.041	C	C	.	.			trans	-60.1	130.4	178	-76.9	170.8	-77	178.6	-5	110.9	P78 L85 L142 G203 G217 D220	P78-R198 HydrophobicContact CG-CG 4.25Å; L85-R198 PolarHBondContact O-NH1 2.87Å; L85-R198 PolarHBondContact O-NH2 3.25Å; L142-R198 HydrophobicContact CD2-CG 4.15Å; R198-G203 VanDerWaalsContact CB-CA 3.48Å; R198-G203 WeakPolarHBondContact O-CA 3.46Å; R198-G217 WeakPolarHBondContact O-CA 3.16Å; R198-D220 WeakPolarHBondContact CB-OD2 3.23Å; R198-D220 VanDerWaalsContact CG-OD2 3.27Å; R198-D220 WeakPolarHBondContact CG-OD2 3.42Å; R198-D220 IonicContact CZ-OD1 3.97Å; R198-D220 IonicContact CZ-OD2 2.84Å; R198-D220 PolarHBondContact N-OD2 3.49Å; R198-D220 IonicContact NE-OD1 2.71Å; R198-D220 PolarHBondContact NE-OD1 2.9Å; R198-D220 IonicContact NE-OD2 3.71Å; R198-D220 PolarHBondContact NE-OD2 3.42Å; R198-D220 IonicContact NH2-OD1 2.69Å; R198-D220 PolarHBondContact NH2-OD1 3.43Å; R198-D220 IonicContact NH2-OD2 2.88Å
199	V	97.4	Very high	98.1	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.006	6%	0.056	C	C	.	.			trans	-107.4	162.2	179.4	-69.9	0	0	0	0	111.8	C106 Q108 Y171 Y197 L202 G203	C106-V199 HydrophobicContact CB-CG2 3.99Å; Q108-V199 HydrophobicContact CB-CG2 4.03Å; Y171-V199 CarbonylContact O-C 3.6Å; Y171-V199 WeakPolarHBondContact O-CA 3.32Å; Y171-V199 VanDerWaalsContact O-CB 3.23Å; Y171-V199 WeakPolarHBondContact O-CB 3.13Å; Y197-V199 HydrophobicContact CD2-CG1 4.5Å; Y197-V199 HydrophobicContact CE2-CG1 4.15Å; Y197-V199 PolarHBondContact O-N 2.83Å; V199-L202 PolarHBondContact O-N 3.01Å; V199-G203 PolarHBondContact O-N 2.84Å; V199-G203 VanDerWaalsContact O-N 3.16Å
200	G	95.9	Very high	98.1	Very high	3 Å²	3	14.2 Å²	14.2	3%	0.031	9%	0.085	C	C	.	.	H	α-helix	trans	50.5	-135.4	175.8	0	0	0	0	0	114.1	Y171 M172 L202 G203 F204	Y171-G200 PolarHBondContact O-N 2.83Å; M172-G200 WeakPolarHBondContact SD-CA 3.38Å; G200-L202 VanDerWaalsContact C-N 3.26Å; G200-L202 PolarHBondContact O-N 3.42Å; G200-G203 PolarHBondContact O-N 2.89Å; G200-G203 VanDerWaalsContact O-N 3.11Å; G200-F204 PolarHBondContact O-N 3.26Å
201	V	97.7	Very high	98.1	Very high	3 Å²	3	15.1 Å²	15.1	2%	0.018	9%	0.092	C	C	.	.	H	α-helix	trans	-49.3	-46.8	179.7	177.1	0	0	0	0	111.9	F84 G203 L205 L294 L320 F334	F84-V201 HydrophobicContact CE1-CG1 4.23Å; F84-V201 HydrophobicContact CZ-CG1 4.4Å; V201-G203 VanDerWaalsContact C-N 3.31Å; V201-G203 PolarHBondContact O-N 2.91Å; V201-L205 HydrophobicContact CG1-CB 4.34Å; V201-L205 HydrophobicContact CG1-CD1 3.92Å; V201-L205 WeakPolarHBondContact O-CB 3.31Å; V201-L205 PolarHBondContact O-N 2.91Å; V201-L294 HydrophobicContact CB-CD2 4.36Å; V201-L294 HydrophobicContact CG1-CD2 3.48Å; V201-L294 VanDerWaalsContact CG1-CD2 3.48Å; V201-L294 HydrophobicContact CG2-CD2 3.89Å; V201-L320 HydrophobicContact CG1-CB 4.27Å; V201-F334 HydrophobicContact CG2-CD2 3.85Å; V201-F334 HydrophobicContact CG2-CE1 4.45Å; V201-F334 HydrophobicContact CG2-CE2 3.71Å; V201-F334 HydrophobicContact CG2-CG 4.29Å; V201-F334 HydrophobicContact CG2-CZ 4.04Å
202	L	98.4	Very high	98.1	Very high	4 Å²	4	15.1 Å²	15.1	2%	0.021	9%	0.093	C	C	.	.	H	α-helix	trans	-71.7	-26.9	-174.3	-60	174	0	0	0	112.8	R83 F84 P107 E139 V199 G200 A317 L320 V321	R83-L202 HydrophobicContact CG-CD2 3.98Å; F84-L202 HydrophobicContact CE1-CD2 4.24Å; F84-L202 HydrophobicContact CZ-CD2 4.39Å; P107-L202 HydrophobicContact CB-CD1 3.86Å; P107-L202 HydrophobicContact CG-CD1 3.66Å; E139-L202 HydrophobicContact CG-CD1 4.14Å; V199-L202 PolarHBondContact O-N 3.01Å; G200-L202 VanDerWaalsContact C-N 3.26Å; G200-L202 PolarHBondContact O-N 3.42Å; L202-A317 HydrophobicContact CD1-CB 3.91Å; L202-L320 HydrophobicContact CD2-CD1 4.12Å; L202-V321 HydrophobicContact CD1-CG2 4.41Å
203	G	98.3	Very high	98	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-90	-28.3	177.8	0	0	0	0	0	114.9	R198 V199 G200 V201 Y216 G217	R198-G203 VanDerWaalsContact CB-CA 3.48Å; R198-G203 WeakPolarHBondContact O-CA 3.46Å; V199-G203 PolarHBondContact O-N 2.84Å; V199-G203 VanDerWaalsContact O-N 3.16Å; G200-G203 PolarHBondContact O-N 2.89Å; G200-G203 VanDerWaalsContact O-N 3.11Å; V201-G203 VanDerWaalsContact C-N 3.31Å; V201-G203 PolarHBondContact O-N 2.91Å; G203-Y216 CarbonylContact O-C 3.53Å; G203-Y216 WeakPolarHBondContact O-CA 3.13Å; G203-Y216 VanDerWaalsContact O-CB 3.29Å; G203-Y216 WeakPolarHBondContact O-CB 3.39Å; G203-Y216 PolarHBondContact O-N 2.94Å; G203-G217 PolarHBondContact O-N 2.54Å
204	F	98.6	Very high	98	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-141.2	7.5	-160.9	-59.3	-75.4	0	0	0	115.5	Y171 Y197 G200 S206 L218 F334 P336	Y171-F204 HydrophobicContact CD1-CE1 4.36Å; Y171-F204 AromaticContact CD1-CE2 3.98Å; Y171-F204 HydrophobicContact CD1-CE2 3.98Å; Y171-F204 AromaticContact CD1-CZ 3.75Å; Y171-F204 HydrophobicContact CD1-CZ 3.75Å; Y171-F204 HydrophobicContact CE1-CZ 4.41Å; Y171-F204 HydrophobicContact CG-CE2 4.33Å; Y171-F204 HydrophobicContact CG-CZ 4.48Å; Y197-F204 HydrophobicContact CD2-CZ 4.46Å; Y197-F204 HydrophobicContact CE2-CE2 4.32Å; Y197-F204 HydrophobicContact CE2-CZ 4.16Å; G200-F204 PolarHBondContact O-N 3.26Å; F204-S206 PolarHBondContact O-N 3.4Å; F204-L218 HydrophobicContact CE1-CG 4.38Å; F204-F334 HydrophobicContact CB-CB 4.13Å; F204-P336 HydrophobicContact CD1-CG 4.39Å; F204-P336 HydrophobicContact CE1-CG 3.97Å
205	L	98.6	Very high	98	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.107	C	C	.	.			trans	-59.5	129.1	171.1	-179.6	144.3	0	0	0	110.8	F84 V201 A212 G214 Y216 T291 L294 L312	F84-L205 HydrophobicContact CD1-CB 4.1Å; F84-L205 HydrophobicContact CD1-CD2 4.3Å; F84-L205 HydrophobicContact CE1-CB 3.96Å; F84-L205 HydrophobicContact CE1-CD1 4.23Å; F84-L205 HydrophobicContact CE1-CD2 4.45Å; F84-L205 HydrophobicContact CE1-CG 4.44Å; F84-L205 HydrophobicContact CG-CD2 4.49Å; F84-L205 HydrophobicContact CZ-CD1 4.29Å; V201-L205 HydrophobicContact CG1-CB 4.34Å; V201-L205 HydrophobicContact CG1-CD1 3.92Å; V201-L205 WeakPolarHBondContact O-CB 3.31Å; V201-L205 PolarHBondContact O-N 2.91Å; L205-A212 HydrophobicContact CD2-CB 3.68Å; L205-G214 WeakPolarHBondContact O-CA 3.43Å; L205-Y216 VanDerWaalsContact O-CE2 3.27Å; L205-Y216 WeakPolarHBondContact O-CE2 3.45Å; L205-T291 HydrophobicContact CD1-CG2 4.09Å; L205-T291 HydrophobicContact CD2-CG2 4.08Å; L205-T291 HydrophobicContact CG-CG2 3.96Å; L205-L294 HydrophobicContact CD1-CD2 3.77Å; L205-L312 HydrophobicContact CD1-CD1 3.93Å
206	S	98.6	Very high	98	Very high	4 Å²	4	18.8 Å²	18.8	3%	0.028	11%	0.108	C	C	.	.			trans	-139.9	137.8	176.6	174.5	0	0	0	0	111	F204 G208 A212 K213 P287 T291	F204-S206 PolarHBondContact O-N 3.4Å; S206-G208 PolarHBondContact OG-N 3.16Å; S206-A212 CarbonylContact C-O 3.45Å; S206-A212 WeakPolarHBondContact CA-O 3.29Å; S206-A212 PolarHBondContact OG-O 2.81Å; S206-K213 VanDerWaalsContact CB-O 3.28Å; S206-K213 WeakPolarHBondContact CB-O 3.33Å; S206-K213 PolarHBondContact OG-O 2.78Å; S206-P287 CarbonylContact O-C 3.58Å; S206-T291 WeakPolarHBondContact O-CB 3.27Å; S206-T291 PolarHBondContact O-OG1 3.43Å
207	T	98.3	Very high	98.1	Very high	7 Å²	7	18.7 Å²	18.7	4%	0.043	11%	0.108	C	C	.	.			trans	-88.5	-3.8	174.2	46	0	0	0	0	112.8	D209 A211 A212 V288 T291 T305 M308 V309	T207-D209 VanDerWaalsContact CB-OD1 3.32Å; T207-D209 WeakPolarHBondContact CB-OD1 3.33Å; T207-D209 PolarHBondContact O-N 3.06Å; T207-D209 PolarHBondContact OG1-OD1 3.12Å; T207-A211 HydrophobicContact CG2-CB 4.46Å; T207-A212 HydrophobicContact CG2-CB 4.2Å; T207-A212 PolarHBondContact N-O 2.95Å; T207-A212 PolarHBondContact OG1-N 2.93Å; T207-A212 PolarHBondContact OG1-O 2.92Å; T207-A212 VanDerWaalsContact OG1-O 3.13Å; T207-V288 WeakPolarHBondContact O-CG2 3.38Å; T207-T291 HydrophobicContact CG2-CG2 4.07Å; T207-T305 HydrophobicContact CG2-CG2 4.31Å; T207-M308 HydrophobicContact CG2-CE 3.52Å; T207-V309 HydrophobicContact CG2-CG2 3.76Å
208	G	96.9	Very high	98.1	Very high	55 Å²	55	18.7 Å²	18.7	57%	0.567	11%	0.108	S	C	*	.	S	Bend	trans	69.8	12	-171.7	0	0	0	0	0	113.9	S206	S206-G208 PolarHBondContact OG-N 3.16Å
209	D	97.4	Very high	98.1	Very high	59 Å²	59	19.2 Å²	19.2	32%	0.316	11%	0.112	S	C	.	.	S	Bend	trans	-141.2	-161.4	178.3	70.4	16	0	0	0	111	T207 A211 T305	T207-D209 VanDerWaalsContact CB-OD1 3.32Å; T207-D209 WeakPolarHBondContact CB-OD1 3.33Å; T207-D209 PolarHBondContact O-N 3.06Å; T207-D209 PolarHBondContact OG1-OD1 3.12Å; D209-A211 WeakPolarHBondContact OD1-CB 3.43Å; D209-A211 PolarHBondContact OD1-N 3.03Å; D209-T305 VanDerWaalsContact OD2-CB 3.32Å; D209-T305 WeakPolarHBondContact OD2-CB 3.43Å; D209-T305 WeakPolarHBondContact OD2-CG2 3.31Å; D209-T305 PolarHBondContact OD2-OG1 3.14Å
210	Q	97.4	Very high	98.2	Very high	150 Å²	150	19.2 Å²	19.2	70%	0.701	11%	0.111	S	C	*	.	S	Bend	trans	-81.3	-9.8	-176.8	-58.8	-58.7	-69.2	0	0	114.7
211	A	97.5	Very high	98.3	Very high	19 Å²	19	19 Å²	19	16%	0.157	11%	0.11	C	C	.	.	S	Bend	trans	-70.4	-43	-177.7	0	0	0	0	0	112.1	T207 D209 T305 V306 V309	T207-A211 HydrophobicContact CG2-CB 4.46Å; D209-A211 WeakPolarHBondContact OD1-CB 3.43Å; D209-A211 PolarHBondContact OD1-N 3.03Å; A211-T305 WeakPolarHBondContact CB-O 3.43Å; A211-V306 HydrophobicContact CB-CG2 3.97Å; A211-V309 HydrophobicContact CB-CG2 4.12Å
212	A	98.2	Very high	98.4	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.008	11%	0.109	C	C	.	.			trans	-143.8	104.7	166.8	0	0	0	0	0	109.2	L205 S206 T207 G214 Y216 V309	L205-A212 HydrophobicContact CD2-CB 3.68Å; S206-A212 CarbonylContact C-O 3.45Å; S206-A212 WeakPolarHBondContact CA-O 3.29Å; S206-A212 PolarHBondContact OG-O 2.81Å; T207-A212 HydrophobicContact CG2-CB 4.2Å; T207-A212 PolarHBondContact N-O 2.95Å; T207-A212 PolarHBondContact OG1-N 2.93Å; T207-A212 PolarHBondContact OG1-O 2.92Å; T207-A212 VanDerWaalsContact OG1-O 3.13Å; A212-G214 PolarHBondContact O-N 2.84Å; A212-Y216 VanDerWaalsContact CA-OH 3.23Å; A212-Y216 WeakPolarHBondContact CA-OH 3.44Å; A212-Y216 VanDerWaalsContact CB-OH 3.31Å; A212-Y216 WeakPolarHBondContact CB-OH 3.36Å; A212-V309 HydrophobicContact CB-CG1 4.37Å; A212-V309 HydrophobicContact CB-CG2 3.74Å
213	K	98.1	Very high	98.4	Very high	69 Å²	69	19.4 Å²	19.4	30%	0.3	11%	0.111	S	C	.	.			trans	-66.1	-35.1	-178.9	-67.2	-173.1	175.3	-167.7	0	113.2	S206 Y216 V337 D341	S206-K213 VanDerWaalsContact CB-O 3.28Å; S206-K213 WeakPolarHBondContact CB-O 3.33Å; S206-K213 PolarHBondContact OG-O 2.78Å; K213-Y216 PolarHBondContact N-OH 2.85Å; K213-V337 WeakPolarHBondContact O-CG2 3.4Å; K213-D341 IonicContact NZ-OD2 3.2Å; K213-D341 PolarHBondContact NZ-OD2 2.95Å
214	G	98.3	Very high	98.4	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.01	11%	0.111	C	C	.	.			trans	98.6	-158.9	-169.5	0	0	0	0	0	113.1	L205 A212 Y216	L205-G214 WeakPolarHBondContact O-CA 3.43Å; A212-G214 PolarHBondContact O-N 2.84Å; G214-Y216 PolarHBondContact N-OH 2.79Å; G214-Y216 WeakPolarHBondContact O-CD1 3.35Å; G214-Y216 WeakPolarHBondContact O-CE1 3.32Å; G214-Y216 PolarHBondContact O-N 3.04Å
215	N	98.8	Very high	98.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.112	C	C	.	.			trans	55.9	15.5	175.3	-64.8	-26.4	0	0	0	116.7	G217 L218 L219 P336 V337 D339 V342	N215-G217 VanDerWaalsContact C-N 3.29Å; N215-G217 PolarHBondContact O-N 3Å; N215-L218 HydrophobicContact CB-CD1 4.49Å; N215-L218 PolarHBondContact O-N 3Å; N215-L219 PolarHBondContact O-N 2.87Å; N215-P336 VanDerWaalsContact OD1-CA 3.32Å; N215-P336 WeakPolarHBondContact OD1-CA 3.46Å; N215-V337 PolarHBondContact ND2-O 3.27Å; N215-V337 PolarHBondContact OD1-N 2.9Å; N215-V337 PolarHBondContact OD1-O 2.95Å; N215-D339 PolarHBondContact ND2-OD1 3.21Å; N215-D339 PolarHBondContact ND2-OD2 2.98Å; N215-V342 HydrophobicContact CB-CB 4.1Å; N215-V342 HydrophobicContact CB-CG1 4.23Å; N215-V342 HydrophobicContact CB-CG2 4.19Å
216	Y	98.8	Very high	98.4	Very high	7 Å²	7	23.2 Å²	23.2	3%	0.027	13%	0.126	C	C	.	.	H	α-helix	trans	-59.6	-37.2	-179.2	-44.3	-62.8	0	0	0	112.8	F84 G203 L205 A212 K213 G214 L219 D220	F84-Y216 HydrophobicContact CB-CE2 3.84Å; F84-Y216 HydrophobicContact CD1-CE2 4.18Å; F84-Y216 WeakPolarHBondContact O-CE1 3.18Å; F84-Y216 PolarHBondContact O-OH 2.86Å; G203-Y216 CarbonylContact O-C 3.53Å; G203-Y216 WeakPolarHBondContact O-CA 3.13Å; G203-Y216 VanDerWaalsContact O-CB 3.29Å; G203-Y216 WeakPolarHBondContact O-CB 3.39Å; G203-Y216 PolarHBondContact O-N 2.94Å; L205-Y216 VanDerWaalsContact O-CE2 3.27Å; L205-Y216 WeakPolarHBondContact O-CE2 3.45Å; A212-Y216 VanDerWaalsContact CA-OH 3.23Å; A212-Y216 WeakPolarHBondContact CA-OH 3.44Å; A212-Y216 VanDerWaalsContact CB-OH 3.31Å; A212-Y216 WeakPolarHBondContact CB-OH 3.36Å; K213-Y216 PolarHBondContact N-OH 2.85Å; G214-Y216 PolarHBondContact N-OH 2.79Å; G214-Y216 WeakPolarHBondContact O-CD1 3.35Å; G214-Y216 WeakPolarHBondContact O-CE1 3.32Å; G214-Y216 PolarHBondContact O-N 3.04Å; Y216-L219 PolarHBondContact O-N 2.94Å; Y216-D220 WeakPolarHBondContact O-CB 3.32Å; Y216-D220 PolarHBondContact O-N 2.95Å
217	G	98.7	Very high	98.4	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-66.2	-32	174.3	0	0	0	0	0	113.9	R198 G203 N215 Q221	R198-G217 WeakPolarHBondContact O-CA 3.16Å; G203-G217 PolarHBondContact O-N 2.54Å; N215-G217 VanDerWaalsContact C-N 3.29Å; N215-G217 PolarHBondContact O-N 3Å; G217-Q221 VanDerWaalsContact O-CG 3.31Å; G217-Q221 WeakPolarHBondContact O-CG 3.41Å; G217-Q221 PolarHBondContact O-N 3.43Å
218	L	98.9	Very high	98.4	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-73.7	-41.4	171.3	-65.8	-178.9	0	0	0	110.8	F204 N215 D220 Q221 I222 C253 L256 P336 V342 I343	F204-L218 HydrophobicContact CE1-CG 4.38Å; N215-L218 HydrophobicContact CB-CD1 4.49Å; N215-L218 PolarHBondContact O-N 3Å; L218-D220 VanDerWaalsContact C-N 3.26Å; L218-D220 PolarHBondContact O-N 3.06Å; L218-Q221 WeakPolarHBondContact O-CB 3.42Å; L218-Q221 PolarHBondContact O-N 3.2Å; L218-Q221 VanDerWaalsContact O-N 3.1Å; L218-I222 WeakPolarHBondContact O-CG1 3.34Å; L218-I222 PolarHBondContact O-N 3.11Å; L218-C253 HydrophobicContact CD2-CB 4.38Å; L218-L256 HydrophobicContact CD1-CB 4.47Å; L218-L256 HydrophobicContact CD1-CD1 4.49Å; L218-P336 HydrophobicContact CD1-CB 4Å; L218-P336 HydrophobicContact CD1-CG 4.09Å; L218-P336 HydrophobicContact CD2-CG 4.43Å; L218-P336 HydrophobicContact CG-CG 4.33Å; L218-V342 HydrophobicContact CB-CG1 4.28Å; L218-V342 HydrophobicContact CD1-CG1 4.33Å; L218-I343 HydrophobicContact CD1-CD1 4.19Å; L218-I343 HydrophobicContact CD1-CG1 4.22Å
219	L	98.9	Very high	98.5	Very high	20 Å²	20	21.8 Å²	21.8	11%	0.105	11%	0.107	C	C	.	.	H	α-helix	trans	-62.4	-33.4	175.3	-71.4	166.7	0	0	0	112.3	P86 P87 N215 Y216 I222 Q223 V342	P86-L219 HydrophobicContact CB-CD1 4.06Å; P86-L219 HydrophobicContact CG-CD1 4.03Å; P87-L219 HydrophobicContact CG-CB 4.31Å; P87-L219 WeakPolarHBondContact CG-O 3.38Å; N215-L219 PolarHBondContact O-N 2.87Å; Y216-L219 PolarHBondContact O-N 2.94Å; L219-I222 HydrophobicContact CD2-CD1 4.37Å; L219-I222 PolarHBondContact O-N 3.05Å; L219-Q223 VanDerWaalsContact O-CB 3.31Å; L219-Q223 WeakPolarHBondContact O-CB 3.13Å; L219-Q223 PolarHBondContact O-N 3.45Å; L219-V342 HydrophobicContact CD1-CG2 4.12Å; L219-V342 HydrophobicContact CD2-CG2 3.69Å; L219-V342 HydrophobicContact CG-CG2 3.89Å
220	D	98.9	Very high	98.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-62.6	-45.3	170.6	-72.3	-15.3	0	0	0	111.7	Y74 P87 L142 R198 Y216 L218 Q223 A224	Y74-D220 WeakPolarHBondContact CE2-O 3.29Å; Y74-D220 PolarHBondContact OH-O 3.02Å; P87-D220 WeakPolarHBondContact CB-OD1 3.45Å; P87-D220 WeakPolarHBondContact CG-OD1 3.29Å; L142-D220 HydrophobicContact CD2-CB 4.25Å; L142-D220 WeakPolarHBondContact CD2-OD2 3.49Å; R198-D220 WeakPolarHBondContact CB-OD2 3.23Å; R198-D220 VanDerWaalsContact CG-OD2 3.27Å; R198-D220 WeakPolarHBondContact CG-OD2 3.42Å; R198-D220 IonicContact CZ-OD1 3.97Å; R198-D220 IonicContact CZ-OD2 2.84Å; R198-D220 PolarHBondContact N-OD2 3.49Å; R198-D220 IonicContact NE-OD1 2.71Å; R198-D220 PolarHBondContact NE-OD1 2.9Å; R198-D220 IonicContact NE-OD2 3.71Å; R198-D220 PolarHBondContact NE-OD2 3.42Å; R198-D220 IonicContact NH2-OD1 2.69Å; R198-D220 PolarHBondContact NH2-OD1 3.43Å; R198-D220 IonicContact NH2-OD2 2.88Å; Y216-D220 WeakPolarHBondContact O-CB 3.32Å; Y216-D220 PolarHBondContact O-N 2.95Å; L218-D220 VanDerWaalsContact C-N 3.26Å; L218-D220 PolarHBondContact O-N 3.06Å; D220-Q223 PolarHBondContact O-N 3.31Å; D220-A224 PolarHBondContact O-N 2.88Å
221	Q	98.9	Very high	98.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63.5	-43.2	175.2	-64.8	161.1	16.4	0	0	111.1	I166 L195 Y197 G217 L218 Q223 A224 L225 C253 L257	I166-Q221 HydrophobicContact CD1-CB 4.33Å; I166-Q221 HydrophobicContact CD1-CG 4.25Å; I166-Q221 HydrophobicContact CG2-CG 4.41Å; L195-Q221 HydrophobicContact CD1-CG 4.12Å; Y197-Q221 HydrophobicContact CD1-CG 3.96Å; Y197-Q221 HydrophobicContact CG-CG 3.91Å; G217-Q221 VanDerWaalsContact O-CG 3.31Å; G217-Q221 WeakPolarHBondContact O-CG 3.41Å; G217-Q221 PolarHBondContact O-N 3.43Å; L218-Q221 WeakPolarHBondContact O-CB 3.42Å; L218-Q221 PolarHBondContact O-N 3.2Å; L218-Q221 VanDerWaalsContact O-N 3.1Å; Q221-Q223 PolarHBondContact O-N 2.76Å; Q221-A224 WeakPolarHBondContact O-CB 3.05Å; Q221-A224 PolarHBondContact O-N 3.08Å; Q221-L225 VanDerWaalsContact O-CG 3.31Å; Q221-L225 WeakPolarHBondContact O-CG 3.48Å; Q221-L225 PolarHBondContact O-N 2.95Å; Q221-C253 PolarHBondContact NE2-SG 2.84Å; Q221-C253 VanDerWaalsContact NE2-SG 3.36Å; Q221-L257 HydrophobicContact CB-CD1 4.19Å
222	I	98.9	Very high	98.6	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-61.2	-43.2	175.2	-68.1	161	0	0	0	110.9	L218 L219 L225 R226 L257 H262 L266 V342	L218-I222 WeakPolarHBondContact O-CG1 3.34Å; L218-I222 PolarHBondContact O-N 3.11Å; L219-I222 HydrophobicContact CD2-CD1 4.37Å; L219-I222 PolarHBondContact O-N 3.05Å; I222-L225 PolarHBondContact O-N 2.96Å; I222-R226 VanDerWaalsContact CG2-NH2 3.35Å; I222-R226 WeakPolarHBondContact O-CG 3.29Å; I222-R226 PolarHBondContact O-N 2.56Å; I222-L257 HydrophobicContact CD1-CD2 3.92Å; I222-L257 HydrophobicContact CG1-CD2 3.46Å; I222-L257 VanDerWaalsContact CG1-CD2 3.46Å; I222-H262 HydrophobicContact CD1-CB 3.85Å; I222-H262 HydrophobicContact CG2-CB 4.33Å; I222-L266 HydrophobicContact CG2-CD1 3.93Å; I222-V342 HydrophobicContact CD1-CG1 4.23Å
223	Q	98.9	Very high	98.6	Very high	15 Å²	15	18.5 Å²	18.5	7%	0.07	10%	0.097	C	C	.	.	H	α-helix	trans	-67.6	-34.9	177.4	179.9	51.8	38.4	0	0	112.2	Y74 A75 P87 L219 D220 Q221 R226 W227	Y74-Q223 HydrophobicContact CD2-CB 4.47Å; Y74-Q223 HydrophobicContact CD2-CG 4.16Å; Y74-Q223 HydrophobicContact CE2-CB 4.38Å; Y74-Q223 HydrophobicContact CE2-CG 4.42Å; Y74-Q223 PolarHBondContact O-NE2 2.86Å; A75-Q223 HydrophobicContact CB-CG 4.03Å; P87-Q223 HydrophobicContact CB-CB 4.26Å; P87-Q223 HydrophobicContact CB-CG 4.19Å; P87-Q223 HydrophobicContact CG-CB 3.61Å; P87-Q223 HydrophobicContact CG-CG 4.04Å; L219-Q223 VanDerWaalsContact O-CB 3.31Å; L219-Q223 WeakPolarHBondContact O-CB 3.13Å; L219-Q223 PolarHBondContact O-N 3.45Å; D220-Q223 PolarHBondContact O-N 3.31Å; Q221-Q223 PolarHBondContact O-N 2.76Å; Q223-R226 PolarHBondContact O-N 2.85Å; Q223-W227 PolarHBondContact O-N 2.86Å
224	A	98.9	Very high	98.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-63.4	-43.5	169.5	0	0	0	0	0	111.3	Y74 L144 L195 D220 Q221 R226 W227 V228	Y74-A224 HydrophobicContact CD1-CB 4.11Å; Y74-A224 VanDerWaalsContact CD2-CA 3.49Å; Y74-A224 HydrophobicContact CD2-CB 3.7Å; Y74-A224 HydrophobicContact CE1-CB 4.11Å; Y74-A224 HydrophobicContact CE2-CB 3.74Å; Y74-A224 HydrophobicContact CG-CB 3.9Å; L144-A224 HydrophobicContact CD2-CB 4.32Å; L195-A224 HydrophobicContact CD1-CB 4.48Å; L195-A224 HydrophobicContact CD2-CB 3.97Å; D220-A224 PolarHBondContact O-N 2.88Å; Q221-A224 WeakPolarHBondContact O-CB 3.05Å; Q221-A224 PolarHBondContact O-N 3.08Å; A224-R226 PolarHBondContact O-N 2.88Å; A224-W227 WeakPolarHBondContact O-CB 3.38Å; A224-W227 PolarHBondContact O-N 3.07Å; A224-V228 VanDerWaalsContact O-CG2 3.3Å; A224-V228 WeakPolarHBondContact O-CG2 3.41Å; A224-V228 PolarHBondContact O-N 3.21Å
225	L	98.9	Very high	98.5	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-64.4	-38.6	177.1	-68.9	167.8	0	0	0	112.6	V164 Q221 I222 V228 S229 I242 V244 L257 L266 F267	V164-L225 HydrophobicContact CB-CD2 4.26Å; V164-L225 HydrophobicContact CG1-CD2 4.05Å; V164-L225 HydrophobicContact CG2-CD2 4.24Å; Q221-L225 VanDerWaalsContact O-CG 3.31Å; Q221-L225 WeakPolarHBondContact O-CG 3.48Å; Q221-L225 PolarHBondContact O-N 2.95Å; I222-L225 PolarHBondContact O-N 2.96Å; L225-V228 PolarHBondContact O-N 3.08Å; L225-S229 WeakPolarHBondContact O-CB 3.21Å; L225-S229 PolarHBondContact O-N 3.05Å; L225-I242 HydrophobicContact CD2-CG2 4.47Å; L225-V244 HydrophobicContact CD1-CG2 4.23Å; L225-V244 HydrophobicContact CD2-CG2 3.55Å; L225-L257 HydrophobicContact CD1-CD1 4.1Å; L225-L266 HydrophobicContact CB-CB 4.13Å; L225-L266 HydrophobicContact CB-CD1 4.06Å; L225-F267 HydrophobicContact CD1-CD1 3.96Å; L225-F267 HydrophobicContact CD1-CE1 4.15Å
226	R	98.7	Very high	98.3	Very high	78 Å²	78	21.4 Å²	21.4	29%	0.294	12%	0.118	S	C	.	.	H	α-helix	trans	-59.1	-50.1	170.1	-71.5	172.6	-173.7	153.4	4.1	111.1	I222 Q223 A224 V228 S229 E230 H262 L266	I222-R226 VanDerWaalsContact CG2-NH2 3.35Å; I222-R226 WeakPolarHBondContact O-CG 3.29Å; I222-R226 PolarHBondContact O-N 2.56Å; Q223-R226 PolarHBondContact O-N 2.85Å; A224-R226 PolarHBondContact O-N 2.88Å; R226-V228 VanDerWaalsContact C-N 3.3Å; R226-V228 PolarHBondContact O-N 3.35Å; R226-S229 PolarHBondContact O-N 3.05Å; R226-E230 WeakPolarHBondContact O-CG 3.45Å; R226-E230 PolarHBondContact O-N 3.34Å; R226-H262 PolarHBondContact NH2-O 3Å; R226-H262 VanDerWaalsContact NH2-O 3.09Å; R226-L266 HydrophobicContact CG-CD1 3.68Å; R226-L266 HydrophobicContact CG-CD2 3.72Å; R226-L266 HydrophobicContact CG-CG 4.38Å
227	W	98.8	Very high	98.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-57.5	-43	176.4	-175.2	101.3	0	0	0	112.1	T46 F48 V72 L144 Q223 A224 E230 N231 F235	T46-W227 HydrophobicContact CG2-CZ2 4.11Å; F48-W227 AromaticContact CD2-NE1 3.72Å; F48-W227 AromaticContact CE2-CD1 3.62Å; F48-W227 AromaticContact CE2-NE1 3.78Å; V72-W227 HydrophobicContact CG1-CH2 3.74Å; V72-W227 HydrophobicContact CG1-CZ2 3.4Å; V72-W227 VanDerWaalsContact CG1-CZ2 3.4Å; L144-W227 HydrophobicContact CD1-CE3 4.17Å; L144-W227 HydrophobicContact CD1-CH2 4.17Å; L144-W227 HydrophobicContact CD1-CZ3 3.76Å; L144-W227 HydrophobicContact CD2-CD2 4.25Å; L144-W227 HydrophobicContact CD2-CE3 3.7Å; L144-W227 HydrophobicContact CD2-CZ3 4.15Å; L144-W227 HydrophobicContact CG-CE3 4.48Å; Q223-W227 PolarHBondContact O-N 2.86Å; A224-W227 WeakPolarHBondContact O-CB 3.38Å; A224-W227 PolarHBondContact O-N 3.07Å; W227-E230 PolarHBondContact O-N 3.48Å; W227-N231 HydrophobicContact CD2-CB 4.19Å; W227-N231 HydrophobicContact CE3-CB 4.24Å; W227-N231 HydrophobicContact CH2-CB 4.09Å; W227-N231 HydrophobicContact CZ2-CB 4.04Å; W227-N231 HydrophobicContact CZ3-CB 4.19Å; W227-N231 VanDerWaalsContact O-CB 3.26Å; W227-N231 WeakPolarHBondContact O-CB 3.44Å; W227-N231 PolarHBondContact O-N 3.3Å; W227-N231 PolarHBondContact O-ND2 3.48Å; W227-F235 AromaticContact CH2-CE2 3.73Å; W227-F235 HydrophobicContact CH2-CE2 3.73Å; W227-F235 AromaticContact CH2-CZ 3.97Å; W227-F235 HydrophobicContact CH2-CZ 3.97Å; W227-F235 HydrophobicContact CZ3-CE2 4.43Å
228	V	98.8	Very high	98.2	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-63.5	-50.1	177.6	171.3	0	0	0	0	110.5	L144 V162 V164 I193 A224 L225 R226 E230 N231 I232 I242	L144-V228 HydrophobicContact CD2-CG2 4.19Å; V162-V228 HydrophobicContact CG1-CG1 4.03Å; V164-V228 HydrophobicContact CG2-CG1 4.25Å; I193-V228 HydrophobicContact CD1-CB 4.33Å; I193-V228 HydrophobicContact CD1-CG1 3.77Å; I193-V228 HydrophobicContact CD1-CG2 3.52Å; A224-V228 VanDerWaalsContact O-CG2 3.3Å; A224-V228 WeakPolarHBondContact O-CG2 3.41Å; A224-V228 PolarHBondContact O-N 3.21Å; L225-V228 PolarHBondContact O-N 3.08Å; R226-V228 VanDerWaalsContact C-N 3.3Å; R226-V228 PolarHBondContact O-N 3.35Å; V228-E230 VanDerWaalsContact C-N 3.27Å; V228-E230 PolarHBondContact O-N 3.19Å; V228-N231 PolarHBondContact O-N 3.24Å; V228-I232 HydrophobicContact CG1-CB 4.01Å; V228-I232 HydrophobicContact CG1-CG1 4.31Å; V228-I232 HydrophobicContact CG1-CG2 4.24Å; V228-I232 WeakPolarHBondContact O-CB 3.48Å; V228-I232 WeakPolarHBondContact O-CG2 3.26Å; V228-I232 PolarHBondContact O-N 2.81Å; V228-I242 HydrophobicContact CG1-CD1 3.92Å; V228-I242 HydrophobicContact CG1-CG1 4.37Å
229	S	97.8	Very high	98.1	Very high	36 Å²	36	23.7 Å²	23.7	25%	0.252	13%	0.133	S	C	.	.	H	α-helix	trans	-56	-40.9	178.4	-170.8	0	0	0	0	112.4	L225 R226 P239	L225-S229 WeakPolarHBondContact O-CB 3.21Å; L225-S229 PolarHBondContact O-N 3.05Å; R226-S229 PolarHBondContact O-N 3.05Å; S229-P239 VanDerWaalsContact O-CB 3.27Å; S229-P239 WeakPolarHBondContact O-CB 3.17Å
230	E	98	Very high	98	Very high	103 Å²	103	31.6 Å²	31.6	48%	0.481	16%	0.161	S	C	.	.	H	α-helix	trans	-76.5	-34.6	178.9	-69.6	172.7	-174.8	0	0	114.1	H47 R226 W227 V228	H47-E230 PolarHBondContact CD2-O 3.4Å; H47-E230 PolarHBondContact NE2-O 3.1Å; R226-E230 WeakPolarHBondContact O-CG 3.45Å; R226-E230 PolarHBondContact O-N 3.34Å; W227-E230 PolarHBondContact O-N 3.48Å; V228-E230 VanDerWaalsContact C-N 3.27Å; V228-E230 PolarHBondContact O-N 3.19Å
231	N	98.5	Very high	97.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-113.4	-17.2	-165.9	-64.2	-90.1	0	0	0	115.1	T46 H47 W227 V228 A233 F234 F235	T46-N231 WeakPolarHBondContact CB-OD1 3.38Å; H47-N231 PolarHBondContact CD2-OD1 2.84Å; H47-N231 PolarHBondContact N-OD1 2.79Å; W227-N231 HydrophobicContact CD2-CB 4.19Å; W227-N231 HydrophobicContact CE3-CB 4.24Å; W227-N231 HydrophobicContact CH2-CB 4.09Å; W227-N231 HydrophobicContact CZ2-CB 4.04Å; W227-N231 HydrophobicContact CZ3-CB 4.19Å; W227-N231 VanDerWaalsContact O-CB 3.26Å; W227-N231 WeakPolarHBondContact O-CB 3.44Å; W227-N231 PolarHBondContact O-N 3.3Å; W227-N231 PolarHBondContact O-ND2 3.48Å; V228-N231 PolarHBondContact O-N 3.24Å; N231-A233 PolarHBondContact O-N 3.4Å; N231-F234 HydrophobicContact CB-CD2 4.28Å; N231-F234 WeakPolarHBondContact O-CB 3.18Å; N231-F234 VanDerWaalsContact O-CD2 3.27Å; N231-F234 WeakPolarHBondContact O-CD2 3.44Å; N231-F234 PolarHBondContact O-N 3.46Å; N231-F235 WeakPolarHBondContact O-CD2 3.16Å
232	I	98.3	Very high	97.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-68.2	-22.5	-170.3	-155	59.4	0	0	0	113.6	V146 V162 I191 I193 V228 F234 F235 G236 G237 P239	V146-I232 HydrophobicContact CG1-CD1 4.05Å; V162-I232 HydrophobicContact CG1-CG1 4.07Å; V162-I232 HydrophobicContact CG2-CB 4.47Å; V162-I232 HydrophobicContact CG2-CG1 3.71Å; V162-I232 HydrophobicContact CG2-CG2 3.98Å; I191-I232 HydrophobicContact CD1-CD1 4.44Å; I191-I232 HydrophobicContact CD1-CG1 4.33Å; I191-I232 HydrophobicContact CG2-CD1 4.05Å; I193-I232 HydrophobicContact CD1-CD1 3.64Å; I193-I232 HydrophobicContact CD1-CG1 4.32Å; V228-I232 HydrophobicContact CG1-CB 4.01Å; V228-I232 HydrophobicContact CG1-CG1 4.31Å; V228-I232 HydrophobicContact CG1-CG2 4.24Å; V228-I232 WeakPolarHBondContact O-CB 3.48Å; V228-I232 WeakPolarHBondContact O-CG2 3.26Å; V228-I232 PolarHBondContact O-N 2.81Å; I232-F234 PolarHBondContact O-N 3Å; I232-F235 HydrophobicContact CD1-CB 4.16Å; I232-F235 HydrophobicContact CD1-CD2 4.1Å; I232-F235 HydrophobicContact CD1-CG 4.31Å; I232-F235 WeakPolarHBondContact O-CB 3.44Å; I232-F235 PolarHBondContact O-N 2.96Å; I232-G236 PolarHBondContact O-N 3.45Å; I232-G237 PolarHBondContact O-N 2.64Å; I232-P239 HydrophobicContact CG2-CB 4.23Å
233	A	97.4	Very high	97.9	Very high	58 Å²	58	33.7 Å²	33.7	48%	0.479	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-57.5	-32.5	171.4	0	0	0	0	0	113	N231 F235 G236 G237	N231-A233 PolarHBondContact O-N 3.4Å; A233-F235 PolarHBondContact O-N 3.49Å; A233-G236 PolarHBondContact O-N 3.37Å; A233-G236 VanDerWaalsContact O-N 3.09Å; A233-G237 WeakPolarHBondContact CA-O 3.41Å
234	F	97.1	Very high	97.9	Very high	86 Å²	86	33 Å²	33	38%	0.377	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-71	-16.8	176.5	-56.8	-63.3	0	0	0	113.6	V44 N45 H47 N231 I232	V44-F234 HydrophobicContact CG1-CB 3.76Å; V44-F234 WeakPolarHBondContact CG1-O 3.24Å; N45-F234 WeakPolarHBondContact O-CB 3.49Å; N45-F234 WeakPolarHBondContact O-CD1 3.25Å; N45-F234 WeakPolarHBondContact O-CD2 3.36Å; N45-F234 WeakPolarHBondContact O-CG 3.15Å; H47-F234 AromaticContact CD2-CE2 3.61Å; H47-F234 AromaticContact CE1-CZ 3.91Å; H47-F234 AromaticContact NE2-CE2 3.62Å; H47-F234 AromaticContact NE2-CZ 3.73Å; N231-F234 HydrophobicContact CB-CD2 4.28Å; N231-F234 WeakPolarHBondContact O-CB 3.18Å; N231-F234 VanDerWaalsContact O-CD2 3.27Å; N231-F234 WeakPolarHBondContact O-CD2 3.44Å; N231-F234 PolarHBondContact O-N 3.46Å; I232-F234 PolarHBondContact O-N 3Å
235	F	96.9	Very high	97.9	Very high	13 Å²	13	33 Å²	33	6%	0.057	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-97.9	3.8	173.3	-59.1	-98.2	0	0	0	112.2	V44 T46 L51 Y69 V146 V148 I191 W227 N231 I232 A233	V44-F235 HydrophobicContact CB-CD1 4.33Å; V44-F235 HydrophobicContact CB-CE1 4.12Å; V44-F235 HydrophobicContact CB-CZ 4.46Å; V44-F235 HydrophobicContact CG1-CD1 4.02Å; V44-F235 HydrophobicContact CG1-CD2 4.07Å; V44-F235 HydrophobicContact CG1-CE1 3.84Å; V44-F235 HydrophobicContact CG1-CE2 3.9Å; V44-F235 HydrophobicContact CG1-CG 4.14Å; V44-F235 HydrophobicContact CG1-CZ 3.79Å; V44-F235 HydrophobicContact CG2-CD1 4.1Å; V44-F235 HydrophobicContact CG2-CE1 4.35Å; T46-F235 HydrophobicContact CG2-CE2 4.04Å; T46-F235 HydrophobicContact CG2-CZ 4.11Å; L51-F235 HydrophobicContact CD1-CZ 3.89Å; Y69-F235 AromaticContact CD1-CE1 3.93Å; Y69-F235 HydrophobicContact CD1-CE1 3.93Å; Y69-F235 AromaticContact CD2-CD1 3.87Å; Y69-F235 HydrophobicContact CD2-CD1 3.87Å; Y69-F235 AromaticContact CD2-CE1 3.72Å; Y69-F235 HydrophobicContact CD2-CE1 3.72Å; Y69-F235 HydrophobicContact CE1-CE1 4.14Å; Y69-F235 AromaticContact CE2-CD1 3.81Å; Y69-F235 HydrophobicContact CE2-CD1 3.81Å; Y69-F235 AromaticContact CE2-CE1 3.95Å; Y69-F235 HydrophobicContact CE2-CE1 3.95Å; Y69-F235 HydrophobicContact CG-CD1 4.34Å; Y69-F235 AromaticContact CG-CE1 3.72Å; Y69-F235 HydrophobicContact CG-CE1 3.72Å; V146-F235 HydrophobicContact CG1-CD1 4.13Å; V146-F235 HydrophobicContact CG1-CG 4.39Å; V146-F235 HydrophobicContact CG2-CE1 4.49Å; V148-F235 HydrophobicContact CG2-CB 4.07Å; V148-F235 HydrophobicContact CG2-CD1 4.2Å; I191-F235 HydrophobicContact CD1-CB 4.16Å; I191-F235 WeakPolarHBondContact CD1-O 3.25Å; W227-F235 AromaticContact CH2-CE2 3.73Å; W227-F235 HydrophobicContact CH2-CE2 3.73Å; W227-F235 AromaticContact CH2-CZ 3.97Å; W227-F235 HydrophobicContact CH2-CZ 3.97Å; W227-F235 HydrophobicContact CZ3-CE2 4.43Å; N231-F235 WeakPolarHBondContact O-CD2 3.16Å; I232-F235 HydrophobicContact CD1-CB 4.16Å; I232-F235 HydrophobicContact CD1-CD2 4.1Å; I232-F235 HydrophobicContact CD1-CG 4.31Å; I232-F235 WeakPolarHBondContact O-CB 3.44Å; I232-F235 PolarHBondContact O-N 2.96Å; A233-F235 PolarHBondContact O-N 3.49Å
236	G	95.4	Very high	97.9	Very high	32 Å²	32	33 Å²	33	33%	0.33	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	16.3	-176.9	0	0	0	0	0	115	A159 K160 I232 A233	A159-G236 CarbonylContact C-O 3.51Å; A159-G236 VanDerWaalsContact CA-O 3.29Å; A159-G236 WeakPolarHBondContact CA-O 3.3Å; K160-G236 PolarHBondContact N-O 3.25Å; I232-G236 PolarHBondContact O-N 3.45Å; A233-G236 PolarHBondContact O-N 3.37Å; A233-G236 VanDerWaalsContact O-N 3.09Å
237	G	97.3	Very high	97.9	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.01	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	153.8	176.1	0	0	0	0	0	114.1	K160 I232 A233 P239	K160-G237 CarbonylContact O-C 3.46Å; K160-G237 VanDerWaalsContact O-CA 3.29Å; K160-G237 WeakPolarHBondContact O-CA 3.45Å; I232-G237 PolarHBondContact O-N 2.64Å; A233-G237 WeakPolarHBondContact CA-O 3.41Å; G237-P239 WeakPolarHBondContact O-CD 3.5Å
238	D	97.4	Very high	97.8	Very high	17 Å²	17	29.6 Å²	29.6	9%	0.091	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	111.1	172.8	-171	-10.6	0	0	0	110.2	A159 K160 R240 R241	A159-D238 HydrophobicContact CB-CB 3.92Å; K160-D238 PolarHBondContact O-N 2.85Å; D238-R240 PolarHBondContact O-N 3.15Å; D238-R240 VanDerWaalsContact O-N 3.07Å; D238-R240 WeakPolarHBondContact OD1-CB 3.4Å; D238-R240 PolarHBondContact OD1-N 3.06Å; D238-R240 IonicContact OD1-NE 3.28Å; D238-R240 PolarHBondContact OD1-NE 2.85Å; D238-R240 IonicContact OD1-NH2 3.87Å; D238-R240 IonicContact OD2-NH2 3.42Å; D238-R240 PolarHBondContact OD2-NH2 3.35Å; D238-R241 HydrophobicContact CB-CB 4.21Å; D238-R241 HydrophobicContact CB-CG 4.3Å; D238-R241 PolarHBondContact O-N 3.05Å; D238-R241 IonicContact OD2-NE 3.65Å
239	P	97.4	Very high	97.6	Very high	37 Å²	37	29.8 Å²	29.8	24%	0.24	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	-8.2	178.6	28.5	-35.3	0	0	0	113.6	S229 I232 G237 I242 Q268	S229-P239 VanDerWaalsContact O-CB 3.27Å; S229-P239 WeakPolarHBondContact O-CB 3.17Å; I232-P239 HydrophobicContact CG2-CB 4.23Å; G237-P239 WeakPolarHBondContact O-CD 3.5Å; P239-I242 HydrophobicContact CB-CD1 4.4Å; P239-I242 WeakPolarHBondContact O-CD1 3.47Å; P239-Q268 PolarHBondContact O-NE2 3.33Å
240	R	97	Very high	97.7	Very high	186 Å²	186	28 Å²	28	70%	0.702	14%	0.144	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97	5.8	173.3	-50.5	170.6	-59	158.4	13.2	113.1	D238 Q268	D238-R240 PolarHBondContact O-N 3.15Å; D238-R240 VanDerWaalsContact O-N 3.07Å; D238-R240 WeakPolarHBondContact OD1-CB 3.4Å; D238-R240 PolarHBondContact OD1-N 3.06Å; D238-R240 IonicContact OD1-NE 3.28Å; D238-R240 PolarHBondContact OD1-NE 2.85Å; D238-R240 IonicContact OD1-NH2 3.87Å; D238-R240 IonicContact OD2-NH2 3.42Å; D238-R240 PolarHBondContact OD2-NH2 3.35Å; R240-Q268 VanDerWaalsContact C-CD 3.48Å; R240-Q268 PolarHBondContact O-OE1 2.84Å; R240-Q268 VanDerWaalsContact O-OE1 3.1Å
241	R	97.4	Very high	97.7	Very high	45 Å²	45	23.1 Å²	23.1	17%	0.17	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	46.3	173.7	-59.8	-163.9	-71.1	168.2	-4.3	111	D156 A159 P161 V162 D238	D156-R241 IonicContact OD1-NH2 2.91Å; D156-R241 IonicContact OD2-CZ 3.39Å; D156-R241 IonicContact OD2-NH1 3.6Å; D156-R241 PolarHBondContact OD2-NH1 3.12Å; D156-R241 IonicContact OD2-NH2 3.26Å; D156-R241 PolarHBondContact OD2-NH2 3.41Å; A159-R241 PolarHBondContact O-NH2 2.86Å; P161-R241 HydrophobicContact CB-CB 4.24Å; V162-R241 PolarHBondContact N-O 2.86Å; D238-R241 HydrophobicContact CB-CB 4.21Å; D238-R241 HydrophobicContact CB-CG 4.3Å; D238-R241 PolarHBondContact O-N 3.05Å; D238-R241 IonicContact OD2-NE 3.65Å
242	I	98.8	Very high	97.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	124	172.7	-60.3	169.2	0	0	0	109.1	V162 V164 L225 V228 P239 V244 L266 F267 Q268 R269	V162-I242 HydrophobicContact CB-CG1 4.11Å; V162-I242 HydrophobicContact CG2-CG1 4.5Å; V162-I242 CarbonylContact O-C 3.52Å; V162-I242 WeakPolarHBondContact O-CA 3.46Å; V164-I242 HydrophobicContact CG2-CG2 3.94Å; L225-I242 HydrophobicContact CD2-CG2 4.47Å; V228-I242 HydrophobicContact CG1-CD1 3.92Å; V228-I242 HydrophobicContact CG1-CG1 4.37Å; P239-I242 HydrophobicContact CB-CD1 4.4Å; P239-I242 WeakPolarHBondContact O-CD1 3.47Å; I242-V244 HydrophobicContact CG2-CG2 4.38Å; I242-L266 WeakPolarHBondContact CD1-O 3.45Å; I242-F267 HydrophobicContact CB-CB 4.05Å; I242-F267 HydrophobicContact CG2-CB 3.68Å; I242-Q268 PolarHBondContact O-N 3.05Å; I242-Q268 PolarHBondContact O-OE1 2.88Å; I242-R269 PolarHBondContact O-N 3.3Å
243	T	98.9	Very high	97.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.4	173.8	-58	0	0	0	0	108.6	V162 M163 V164 R269 I271 F524 A525	V162-T243 PolarHBondContact O-N 3.16Å; M163-T243 CarbonylContact C-O 3.56Å; M163-T243 WeakPolarHBondContact CA-O 3.34Å; V164-T243 PolarHBondContact N-O 2.93Å; T243-R269 CarbonylContact C-O 3.59Å; T243-R269 WeakPolarHBondContact CA-O 3.3Å; T243-R269 HydrophobicContact CG2-CB 3.9Å; T243-I271 HydrophobicContact CG2-CD1 4.06Å; T243-I271 HydrophobicContact CG2-CG1 3.89Å; T243-F524 HydrophobicContact CG2-CD1 4.42Å; T243-F524 HydrophobicContact CG2-CE1 4.49Å; T243-A525 HydrophobicContact CG2-CB 4.33Å; T243-A525 VanDerWaalsContact OG1-CA 3.31Å; T243-A525 WeakPolarHBondContact OG1-CA 3.33Å
244	V	98.9	Very high	97.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	134	177.6	-173.5	0	0	0	0	108.4	V164 I166 L225 I242 V254 F267 R269 A270 I271	V164-V244 WeakPolarHBondContact O-CA 3.32Å; I166-V244 HydrophobicContact CD1-CG1 3.57Å; I166-V244 HydrophobicContact CG1-CG1 4.09Å; L225-V244 HydrophobicContact CD1-CG2 4.23Å; L225-V244 HydrophobicContact CD2-CG2 3.55Å; I242-V244 HydrophobicContact CG2-CG2 4.38Å; V244-V254 HydrophobicContact CG1-CG1 4.36Å; V244-V254 HydrophobicContact CG1-CG2 4.02Å; V244-F267 HydrophobicContact CB-CD2 4.31Å; V244-F267 HydrophobicContact CB-CG 4.41Å; V244-F267 HydrophobicContact CG2-CB 3.64Å; V244-F267 HydrophobicContact CG2-CD1 3.69Å; V244-F267 HydrophobicContact CG2-CD2 3.82Å; V244-F267 HydrophobicContact CG2-CE1 4.23Å; V244-F267 HydrophobicContact CG2-CE2 4.36Å; V244-F267 HydrophobicContact CG2-CG 3.45Å; V244-F267 VanDerWaalsContact CG2-CG 3.45Å; V244-R269 PolarHBondContact N-O 3.31Å; V244-A270 CarbonylContact O-C 3.56Å; V244-A270 VanDerWaalsContact O-CA 3.28Å; V244-A270 WeakPolarHBondContact O-CA 3.39Å; V244-I271 PolarHBondContact O-N 3.26Å
245	F	98.9	Very high	97.9	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	156.3	-179.2	73.4	-61.2	0	0	0	112.8	M163 V164 Y165 I166 L184 I271 V490 F491	M163-F245 HydrophobicContact CB-CD1 4.24Å; M163-F245 HydrophobicContact CB-CE1 3.73Å; M163-F245 HydrophobicContact CB-CZ 4.47Å; M163-F245 HydrophobicContact CE-CD1 4.25Å; M163-F245 HydrophobicContact CE-CE1 4.19Å; M163-F245 HydrophobicContact CE-CE2 4.46Å; M163-F245 HydrophobicContact CE-CG 4.45Å; M163-F245 HydrophobicContact CE-CZ 4.29Å; V164-F245 WeakPolarHBondContact O-CD1 3.46Å; V164-F245 PolarHBondContact O-N 3.45Å; Y165-F245 CarbonylContact C-O 3.56Å; Y165-F245 VanDerWaalsContact CA-O 3.3Å; Y165-F245 WeakPolarHBondContact CA-O 3.29Å; Y165-F245 HydrophobicContact CD2-CD1 4.28Å; Y165-F245 AromaticContact CD2-CD2 3.71Å; Y165-F245 HydrophobicContact CD2-CD2 3.71Å; Y165-F245 HydrophobicContact CD2-CE1 4.13Å; Y165-F245 AromaticContact CD2-CE2 3.57Å; Y165-F245 HydrophobicContact CD2-CE2 3.57Å; Y165-F245 HydrophobicContact CD2-CG 4.06Å; Y165-F245 AromaticContact CD2-CZ 3.79Å; Y165-F245 HydrophobicContact CD2-CZ 3.79Å; Y165-F245 WeakPolarHBondContact CD2-O 3.44Å; Y165-F245 HydrophobicContact CE2-CD2 4.29Å; Y165-F245 HydrophobicContact CE2-CE2 4.26Å; Y165-F245 HydrophobicContact CG-CE1 4.37Å; Y165-F245 HydrophobicContact CG-CE2 4.38Å; Y165-F245 HydrophobicContact CG-CZ 4.17Å; I166-F245 PolarHBondContact N-O 2.92Å; L184-F245 HydrophobicContact CD2-CE2 4.42Å; L184-F245 HydrophobicContact CD2-CZ 3.98Å; F245-I271 VanDerWaalsContact CA-O 3.26Å; F245-I271 WeakPolarHBondContact CA-O 3.05Å; F245-I271 HydrophobicContact CB-CB 3.67Å; F245-I271 HydrophobicContact CB-CD1 4.44Å; F245-I271 HydrophobicContact CB-CG1 4.26Å; F245-V490 HydrophobicContact CD2-CG1 4.5Å; F245-V490 HydrophobicContact CE2-CG1 3.92Å; F245-F491 HydrophobicContact CE2-CE1 4.11Å; F245-F491 HydrophobicContact CE2-CE2 4.15Å; F245-F491 AromaticContact CE2-CZ 3.47Å; F245-F491 HydrophobicContact CE2-CZ 3.47Å; F245-F491 VanDerWaalsContact CE2-CZ 3.47Å; F245-F491 AromaticContact CZ-CE1 3.83Å; F245-F491 HydrophobicContact CZ-CE1 3.83Å; F245-F491 AromaticContact CZ-CZ 3.56Å; F245-F491 HydrophobicContact CZ-CZ 3.56Å
246	G	98.6	Very high	97.9	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	166.9	-179.1	0	0	0	0	0	111.4	I166 A251 I271 Q273	I166-G246 VanDerWaalsContact O-CA 3.3Å; I166-G246 WeakPolarHBondContact O-CA 3.19Å; G246-A251 WeakPolarHBondContact O-CB 3.29Å; G246-I271 PolarHBondContact N-O 3.05Å; G246-Q273 VanDerWaalsContact O-CB 3.28Å; G246-Q273 WeakPolarHBondContact O-CB 3Å; G246-Q273 PolarHBondContact O-N 2.85Å; G246-Q273 VanDerWaalsContact O-N 3.11Å
247	S	98.1	Very high	98.1	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.014	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	141.2	176.6	175.6	0	0	0	0	110.8	I249 G250 Q273 E486	S247-I249 PolarHBondContact O-N 2.92Å; S247-G250 WeakPolarHBondContact O-CA 3.28Å; S247-G250 PolarHBondContact O-N 2.86Å; S247-Q273 CarbonylContact C-O 3.57Å; S247-Q273 VanDerWaalsContact CA-O 3.32Å; S247-Q273 WeakPolarHBondContact CA-O 3.31Å; S247-E486 PolarHBondContact OG-OE1 2.98Å; S247-E486 VanDerWaalsContact OG-OE1 3.12Å
248	G	96.5	Very high	98.1	Very high	5 Å²	5	14.3 Å²	14.3	5%	0.052	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	-126.7	179.3	0	0	0	0	0	111.4	G250 A251 S252 Q273 S274 H483	G248-G250 PolarHBondContact O-N 2.96Å; G248-A251 WeakPolarHBondContact O-CA 3.42Å; G248-A251 VanDerWaalsContact O-CB 3.26Å; G248-A251 WeakPolarHBondContact O-CB 3.44Å; G248-A251 PolarHBondContact O-N 2.88Å; G248-S252 PolarHBondContact O-N 3.31Å; G248-Q273 PolarHBondContact N-O 3.47Å; G248-S274 WeakPolarHBondContact CA-O 3.31Å; G248-H483 WeakPolarHBondContact CA-NE2 3.23Å
249	I	95.9	Very high	98.1	Very high	4 Å²	4	13.7 Å²	13.7	2%	0.021	6%	0.059	C	C	.	.	H	α-helix	trans	-56.5	-30.1	171.8	-70.3	-53.4	0	0	0	113.1	G169 Y171 S247 A251 S252 C253	G169-I249 WeakPolarHBondContact O-CB 3.36Å; G169-I249 WeakPolarHBondContact O-CG1 3.26Å; Y171-I249 HydrophobicContact CD1-CG2 3.36Å; Y171-I249 HydrophobicContact CD2-CD1 4.16Å; Y171-I249 HydrophobicContact CD2-CG2 3.94Å; Y171-I249 HydrophobicContact CE1-CG2 3.32Å; Y171-I249 HydrophobicContact CE2-CD1 3.7Å; Y171-I249 HydrophobicContact CE2-CG1 4.44Å; Y171-I249 HydrophobicContact CE2-CG2 3.93Å; Y171-I249 HydrophobicContact CG-CG2 3.67Å; S247-I249 PolarHBondContact O-N 2.92Å; I249-A251 VanDerWaalsContact C-N 3.25Å; I249-A251 PolarHBondContact O-N 2.92Å; I249-S252 WeakPolarHBondContact O-CB 3.19Å; I249-S252 PolarHBondContact O-N 3.1Å; I249-C253 PolarHBondContact O-N 3.36Å; I249-C253 PolarHBondContact O-SG 3.06Å; I249-C253 VanDerWaalsContact O-SG 3.38Å
250	G	98.2	Very high	98.2	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-64.1	-32.6	173	0	0	0	0	0	112.3	I166 H167 S247 G248 C253 V254	I166-G250 WeakPolarHBondContact O-CA 3.45Å; H167-G250 WeakPolarHBondContact O-CA 3.28Å; S247-G250 WeakPolarHBondContact O-CA 3.28Å; S247-G250 PolarHBondContact O-N 2.86Å; G248-G250 PolarHBondContact O-N 2.96Å; G250-C253 WeakPolarHBondContact O-CB 3.48Å; G250-V254 WeakPolarHBondContact O-CG2 3.26Å; G250-V254 PolarHBondContact O-N 2.85Å
251	A	98.6	Very high	98.1	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-75.6	-35.2	173.2	0	0	0	0	0	112.2	G246 G248 I249 V254 S255 I272 Q273	G246-A251 WeakPolarHBondContact O-CB 3.29Å; G248-A251 WeakPolarHBondContact O-CA 3.42Å; G248-A251 VanDerWaalsContact O-CB 3.26Å; G248-A251 WeakPolarHBondContact O-CB 3.44Å; G248-A251 PolarHBondContact O-N 2.88Å; I249-A251 VanDerWaalsContact C-N 3.25Å; I249-A251 PolarHBondContact O-N 2.92Å; A251-V254 PolarHBondContact O-N 3.4Å; A251-S255 WeakPolarHBondContact O-CB 3.06Å; A251-S255 PolarHBondContact O-N 3.36Å; A251-I272 HydrophobicContact CB-CG2 3.8Å; A251-Q273 WeakPolarHBondContact CB-O 3.17Å
252	S	98.6	Very high	98.1	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-60.6	-43.5	168.7	-64.5	0	0	0	0	111.5	G248 I249 S255 L256 S276	G248-S252 PolarHBondContact O-N 3.31Å; I249-S252 WeakPolarHBondContact O-CB 3.19Å; I249-S252 PolarHBondContact O-N 3.1Å; S252-S255 PolarHBondContact O-N 3.48Å; S252-L256 WeakPolarHBondContact O-CB 3.49Å; S252-L256 WeakPolarHBondContact O-CG 3.3Å; S252-L256 PolarHBondContact O-N 2.83Å; S252-S276 WeakPolarHBondContact CB-O 3.41Å; S252-S276 PolarHBondContact OG-O 2.74Å
253	C	98.8	Very high	97.9	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-55.5	-51.7	169.8	-69.4	0	0	0	0	111.5	I166 L218 Q221 I249 G250 S255 L256 L257	I166-C253 HydrophobicContact CG2-CB 3.81Å; L218-C253 HydrophobicContact CD2-CB 4.38Å; Q221-C253 PolarHBondContact NE2-SG 2.84Å; Q221-C253 VanDerWaalsContact NE2-SG 3.36Å; I249-C253 PolarHBondContact O-N 3.36Å; I249-C253 PolarHBondContact O-SG 3.06Å; I249-C253 VanDerWaalsContact O-SG 3.38Å; G250-C253 WeakPolarHBondContact O-CB 3.48Å; C253-S255 VanDerWaalsContact C-N 3.31Å; C253-S255 PolarHBondContact O-N 2.98Å; C253-L256 PolarHBondContact O-N 3.28Å; C253-L256 VanDerWaalsContact O-N 3.16Å; C253-L257 VanDerWaalsContact O-CG 3.28Å; C253-L257 WeakPolarHBondContact O-CG 3.31Å; C253-L257 PolarHBondContact O-N 2.79Å
254	V	98.8	Very high	97.7	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-55.6	-45.8	177.9	-179.4	0	0	0	0	111.2	I166 V244 G250 A251 L256 L257 T258 A270 I272	I166-V254 HydrophobicContact CD1-CG2 4.33Å; V244-V254 HydrophobicContact CG1-CG1 4.36Å; V244-V254 HydrophobicContact CG1-CG2 4.02Å; G250-V254 WeakPolarHBondContact O-CG2 3.26Å; G250-V254 PolarHBondContact O-N 2.85Å; A251-V254 PolarHBondContact O-N 3.4Å; V254-L256 PolarHBondContact O-N 2.81Å; V254-L257 PolarHBondContact O-N 2.9Å; V254-T258 PolarHBondContact O-N 3.27Å; V254-T258 VanDerWaalsContact O-N 3.12Å; V254-A270 HydrophobicContact CG1-CB 3.65Å; V254-I272 HydrophobicContact CB-CG1 4.34Å; V254-I272 HydrophobicContact CG1-CG1 3.89Å
255	S	98.5	Very high	97.5	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-64.8	-36.7	178.6	-171.6	0	0	0	0	113.1	A251 S252 C253 T258 L259 A277	A251-S255 WeakPolarHBondContact O-CB 3.06Å; A251-S255 PolarHBondContact O-N 3.36Å; S252-S255 PolarHBondContact O-N 3.48Å; C253-S255 VanDerWaalsContact C-N 3.31Å; C253-S255 PolarHBondContact O-N 2.98Å; S255-T258 PolarHBondContact O-OG1 3.36Å; S255-L259 WeakPolarHBondContact O-CG 3.27Å; S255-A277 WeakPolarHBondContact OG-CB 3.48Å; S255-A277 PolarHBondContact OG-N 3.28Å
256	L	98.7	Very high	97.4	Very high	1 Å²	1	17 Å²	17	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-71.9	-37.1	175.2	-73.4	165.9	0	0	0	111.4	L218 S252 C253 V254 T258 L259 S260 A277 V283 P336 I343 P347	L218-L256 HydrophobicContact CD1-CB 4.47Å; L218-L256 HydrophobicContact CD1-CD1 4.49Å; S252-L256 WeakPolarHBondContact O-CB 3.49Å; S252-L256 WeakPolarHBondContact O-CG 3.3Å; S252-L256 PolarHBondContact O-N 2.83Å; C253-L256 PolarHBondContact O-N 3.28Å; C253-L256 VanDerWaalsContact O-N 3.16Å; V254-L256 PolarHBondContact O-N 2.81Å; L256-T258 VanDerWaalsContact C-N 3.3Å; L256-T258 PolarHBondContact O-N 2.71Å; L256-L259 PolarHBondContact O-N 2.93Å; L256-S260 PolarHBondContact O-N 3.07Å; L256-A277 HydrophobicContact CD2-CB 3.72Å; L256-A277 HydrophobicContact CG-CB 3.86Å; L256-V283 HydrophobicContact CD2-CG2 4.21Å; L256-P336 HydrophobicContact CD1-CB 3.67Å; L256-P336 HydrophobicContact CD1-CG 3.58Å; L256-I343 HydrophobicContact CB-CD1 4.04Å; L256-I343 HydrophobicContact CD2-CD1 3.86Å; L256-I343 HydrophobicContact CD2-CG1 4.45Å; L256-P347 HydrophobicContact CD2-CG 3.91Å
257	L	98.7	Very high	97.4	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-63.6	-33.5	175.3	-70.4	174.3	0	0	0	112.3	I166 Q221 I222 L225 C253 V254 L259 S260 S263 F267	I166-L257 HydrophobicContact CD1-CD1 3.42Å; I166-L257 VanDerWaalsContact CD1-CD1 3.42Å; Q221-L257 HydrophobicContact CB-CD1 4.19Å; I222-L257 HydrophobicContact CD1-CD2 3.92Å; I222-L257 HydrophobicContact CG1-CD2 3.46Å; I222-L257 VanDerWaalsContact CG1-CD2 3.46Å; L225-L257 HydrophobicContact CD1-CD1 4.1Å; C253-L257 VanDerWaalsContact O-CG 3.28Å; C253-L257 WeakPolarHBondContact O-CG 3.31Å; C253-L257 PolarHBondContact O-N 2.79Å; V254-L257 PolarHBondContact O-N 2.9Å; L257-L259 PolarHBondContact O-N 3.14Å; L257-S260 PolarHBondContact O-N 3.37Å; L257-S263 WeakPolarHBondContact O-CB 3.38Å; L257-S263 PolarHBondContact O-OG 3.02Å; L257-F267 HydrophobicContact CB-CE1 4.28Å; L257-F267 HydrophobicContact CB-CZ 4.24Å
258	T	98.1	Very high	97.4	Very high	3 Å²	3	19.3 Å²	19.3	2%	0.018	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-15.7	173.6	60.6	0	0	0	0	113.6	V254 S255 L256 F267 A270 F356 Y359	V254-T258 PolarHBondContact O-N 3.27Å; V254-T258 VanDerWaalsContact O-N 3.12Å; S255-T258 PolarHBondContact O-OG1 3.36Å; L256-T258 VanDerWaalsContact C-N 3.3Å; L256-T258 PolarHBondContact O-N 2.71Å; T258-F267 HydrophobicContact CG2-CE2 3.89Å; T258-F267 HydrophobicContact CG2-CZ 3.94Å; T258-A270 HydrophobicContact CG2-CB 3.93Å; T258-F356 VanDerWaalsContact O-CA 3.29Å; T258-F356 WeakPolarHBondContact O-CA 3.37Å; T258-F356 WeakPolarHBondContact O-CB 3.27Å; T258-Y359 HydrophobicContact CG2-CD2 3.79Å; T258-Y359 HydrophobicContact CG2-CE2 4.08Å; T258-Y359 HydrophobicContact CG2-CG 4.2Å; T258-Y359 WeakPolarHBondContact O-CE2 3.35Å
259	L	97.7	Very high	97.5	Very high	4 Å²	4	20.5 Å²	20.5	2%	0.021	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-2	178.3	-60.8	168.9	0	0	0	112.9	S255 L256 L257 A277 P347 L350 M351 F356	S255-L259 WeakPolarHBondContact O-CG 3.27Å; L256-L259 PolarHBondContact O-N 2.93Å; L257-L259 PolarHBondContact O-N 3.14Å; L259-A277 HydrophobicContact CD1-CB 4.15Å; L259-P347 HydrophobicContact CD1-CB 3.87Å; L259-L350 HydrophobicContact CB-CB 4.38Å; L259-L350 HydrophobicContact CB-CD1 4.09Å; L259-L350 HydrophobicContact CD1-CB 4.48Å; L259-L350 HydrophobicContact CD2-CB 3.88Å; L259-L350 HydrophobicContact CG-CB 4.48Å; L259-M351 HydrophobicContact CD1-CE 3.93Å; L259-M351 HydrophobicContact CD1-CG 4.15Å; L259-M351 HydrophobicContact CD2-CG 3.72Å; L259-F356 HydrophobicContact CD2-CB 3.8Å; L259-F356 HydrophobicContact CD2-CD1 4.48Å; L259-F356 HydrophobicContact CD2-CD2 4.24Å; L259-F356 HydrophobicContact CD2-CG 3.94Å
260	S	97.5	Very high	97.7	Very high	4 Å²	4	20.3 Å²	20.3	3%	0.028	11%	0.111	C	C	.	.			trans	-99.8	123.2	-178	-169.8	0	0	0	0	111.7	L256 L257 H262 S263 V342	L256-S260 PolarHBondContact O-N 3.07Å; L257-S260 PolarHBondContact O-N 3.37Å; S260-H262 PolarHBondContact O-N 2.93Å; S260-H262 VanDerWaalsContact O-N 3.12Å; S260-S263 VanDerWaalsContact O-CB 3.29Å; S260-S263 WeakPolarHBondContact O-CB 3.21Å; S260-S263 PolarHBondContact O-N 3.3Å; S260-V342 WeakPolarHBondContact CB-O 3.42Å; S260-V342 PolarHBondContact OG-O 3.38Å
261	H	95.8	Very high	97.7	Very high	86 Å²	86	20.3 Å²	20.3	40%	0.398	11%	0.111	S	C	.	.	G	3₁₀ helix	trans	-59.1	-23.9	174.5	76.8	-90.9	0	0	0	112.9	S263 E264 D341	H261-S263 PolarHBondContact O-N 3.27Å; H261-E264 PolarHBondContact O-N 3.31Å; H261-D341 PolarHBondContact CE1-O 2.03Å; H261-D341 IonicContact CE1-OD1 2.71Å; H261-D341 PolarHBondContact ND1-O 3.37Å; H261-D341 VanDerWaalsContact ND1-O 3.15Å
262	H	96.7	Very high	97.7	Very high	46 Å²	46	20.3 Å²	20.3	21%	0.213	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-67.7	-16.5	175.4	-75.4	-89.3	0	0	0	114.2	I222 R226 S260 D341	I222-H262 HydrophobicContact CD1-CB 3.85Å; I222-H262 HydrophobicContact CG2-CB 4.33Å; R226-H262 PolarHBondContact NH2-O 3Å; R226-H262 VanDerWaalsContact NH2-O 3.09Å; S260-H262 PolarHBondContact O-N 2.93Å; S260-H262 VanDerWaalsContact O-N 3.12Å; H262-D341 IonicContact CD2-OD1 3.58Å; H262-D341 IonicContact CE1-OD1 2.73Å; H262-D341 IonicContact NE2-OD1 3.62Å; H262-D341 PolarHBondContact NE2-OD1 3.49Å
263	S	96.2	Very high	97.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-91.8	-11.3	179.8	-61.1	0	0	0	0	114.2	L257 S260 H261 G265 L266	L257-S263 WeakPolarHBondContact O-CB 3.38Å; L257-S263 PolarHBondContact O-OG 3.02Å; S260-S263 VanDerWaalsContact O-CB 3.29Å; S260-S263 WeakPolarHBondContact O-CB 3.21Å; S260-S263 PolarHBondContact O-N 3.3Å; H261-S263 PolarHBondContact O-N 3.27Å; S263-G265 PolarHBondContact O-N 3.38Å; S263-L266 WeakPolarHBondContact O-CB 3.49Å; S263-L266 WeakPolarHBondContact O-CG 3.13Å; S263-L266 PolarHBondContact O-N 2.88Å; S263-L266 VanDerWaalsContact O-N 3.08Å
264	E	94.1	Very high	97.7	Very high	118 Å²	118	20.3 Å²	20.3	55%	0.551	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	131.2	-173.4	-75.4	179.2	-143.9	0	0	112.4	H261 L266	H261-E264 PolarHBondContact O-N 3.31Å; E264-L266 PolarHBondContact O-N 3.41Å; E264-L266 VanDerWaalsContact O-N 3.12Å
265	G	94.4	Very high	97.6	Very high	61 Å²	61	20.4 Å²	20.4	63%	0.629	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.9	-5.3	179.7	0	0	0	0	0	115.8	S263	S263-G265 PolarHBondContact O-N 3.38Å
266	L	97.9	Very high	97.5	Very high	21 Å²	21	20.4 Å²	20.4	11%	0.11	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-26.4	179.3	-57	-173.7	0	0	0	113.4	I222 L225 R226 I242 S263 E264	I222-L266 HydrophobicContact CG2-CD1 3.93Å; L225-L266 HydrophobicContact CB-CB 4.13Å; L225-L266 HydrophobicContact CB-CD1 4.06Å; R226-L266 HydrophobicContact CG-CD1 3.68Å; R226-L266 HydrophobicContact CG-CD2 3.72Å; R226-L266 HydrophobicContact CG-CG 4.38Å; I242-L266 WeakPolarHBondContact CD1-O 3.45Å; S263-L266 WeakPolarHBondContact O-CB 3.49Å; S263-L266 WeakPolarHBondContact O-CG 3.13Å; S263-L266 PolarHBondContact O-N 2.88Å; S263-L266 VanDerWaalsContact O-N 3.08Å; E264-L266 PolarHBondContact O-N 3.41Å; E264-L266 VanDerWaalsContact O-N 3.12Å
267	F	98.5	Very high	97.5	Very high	4 Å²	4	20.4 Å²	20.4	2%	0.018	11%	0.112	C	C	.	.			trans	-148.2	169.8	173.7	64.2	-88.7	0	0	0	110.9	L225 I242 V244 L257 T258 R269 Y359	L225-F267 HydrophobicContact CD1-CD1 3.96Å; L225-F267 HydrophobicContact CD1-CE1 4.15Å; I242-F267 HydrophobicContact CB-CB 4.05Å; I242-F267 HydrophobicContact CG2-CB 3.68Å; V244-F267 HydrophobicContact CB-CD2 4.31Å; V244-F267 HydrophobicContact CB-CG 4.41Å; V244-F267 HydrophobicContact CG2-CB 3.64Å; V244-F267 HydrophobicContact CG2-CD1 3.69Å; V244-F267 HydrophobicContact CG2-CD2 3.82Å; V244-F267 HydrophobicContact CG2-CE1 4.23Å; V244-F267 HydrophobicContact CG2-CE2 4.36Å; V244-F267 HydrophobicContact CG2-CG 3.45Å; V244-F267 VanDerWaalsContact CG2-CG 3.45Å; L257-F267 HydrophobicContact CB-CE1 4.28Å; L257-F267 HydrophobicContact CB-CZ 4.24Å; T258-F267 HydrophobicContact CG2-CE2 3.89Å; T258-F267 HydrophobicContact CG2-CZ 3.94Å; F267-R269 WeakPolarHBondContact CD2-O 3.27Å; F267-Y359 AromaticContact CD2-CD1 3.8Å; F267-Y359 HydrophobicContact CD2-CD1 3.8Å; F267-Y359 AromaticContact CD2-CE1 3.74Å; F267-Y359 HydrophobicContact CD2-CE1 3.74Å; F267-Y359 HydrophobicContact CE1-CE1 4.47Å; F267-Y359 AromaticContact CE2-CD1 3.58Å; F267-Y359 HydrophobicContact CE2-CD1 3.58Å; F267-Y359 AromaticContact CE2-CE1 3.46Å; F267-Y359 HydrophobicContact CE2-CE1 3.46Å; F267-Y359 VanDerWaalsContact CE2-CE1 3.46Å; F267-Y359 HydrophobicContact CE2-CG 4.26Å; F267-Y359 HydrophobicContact CG-CE1 4.35Å; F267-Y359 HydrophobicContact CZ-CD1 4.4Å; F267-Y359 AromaticContact CZ-CE1 3.87Å; F267-Y359 HydrophobicContact CZ-CE1 3.87Å
268	Q	98	Very high	97.4	Very high	47 Å²	47	22.4 Å²	22.4	22%	0.22	12%	0.122	C	C	.	.	S	Bend	trans	-122.6	-16.5	-173.9	-59.5	79.4	38.3	0	0	113.2	P239 R240 I242 Y359 D360	P239-Q268 PolarHBondContact O-NE2 3.33Å; R240-Q268 VanDerWaalsContact C-CD 3.48Å; R240-Q268 PolarHBondContact O-OE1 2.84Å; R240-Q268 VanDerWaalsContact O-OE1 3.1Å; I242-Q268 PolarHBondContact O-N 3.05Å; I242-Q268 PolarHBondContact O-OE1 2.88Å; Q268-Y359 WeakPolarHBondContact O-CA 3.4Å; Q268-D360 PolarHBondContact O-N 3.39Å
269	R	98.6	Very high	97.3	Very high	30 Å²	30	22.5 Å²	22.5	11%	0.113	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	149.6	-175.8	-49	-168.8	169.9	89.2	17.6	112.5	I242 T243 V244 F267 D360 F524 A525 G528	I242-R269 PolarHBondContact O-N 3.3Å; T243-R269 CarbonylContact C-O 3.59Å; T243-R269 WeakPolarHBondContact CA-O 3.3Å; T243-R269 HydrophobicContact CG2-CB 3.9Å; V244-R269 PolarHBondContact N-O 3.31Å; F267-R269 WeakPolarHBondContact CD2-O 3.27Å; R269-D360 CarbonylContact C-O 3.54Å; R269-D360 VanDerWaalsContact CA-O 3.26Å; R269-D360 WeakPolarHBondContact CA-O 3.33Å; R269-D360 HydrophobicContact CB-CB 4.33Å; R269-D360 HydrophobicContact CG-CB 3.9Å; R269-D360 IonicContact CZ-OD2 3.51Å; R269-D360 IonicContact NE-OD2 2.65Å; R269-D360 PolarHBondContact NE-OD2 3.2Å; R269-D360 IonicContact NH2-OD2 2.71Å; R269-D360 PolarHBondContact NH2-OD2 2.89Å; R269-F524 HydrophobicContact CB-CE1 3.89Å; R269-F524 HydrophobicContact CB-CZ 4.29Å; R269-F524 WeakPolarHBondContact CD-O 3.48Å; R269-F524 PolarHBondContact NE-O 2.9Å; R269-A525 PolarHBondContact NH1-O 3.42Å; R269-G528 VanDerWaalsContact NE-N 3.12Å
270	A	98.8	Very high	97.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	139.3	174.3	0	0	0	0	0	111.6	V244 V254 T258 I272 D360 I361 M362 F524	V244-A270 CarbonylContact O-C 3.56Å; V244-A270 VanDerWaalsContact O-CA 3.28Å; V244-A270 WeakPolarHBondContact O-CA 3.39Å; V254-A270 HydrophobicContact CG1-CB 3.65Å; T258-A270 HydrophobicContact CG2-CB 3.93Å; A270-I272 HydrophobicContact CB-CD1 4.39Å; A270-I272 HydrophobicContact CB-CG1 4.22Å; A270-D360 PolarHBondContact N-O 2.96Å; A270-I361 HydrophobicContact CB-CG1 4.23Å; A270-I361 WeakPolarHBondContact O-CA 3.43Å; A270-M362 PolarHBondContact O-N 3.47Å; A270-F524 WeakPolarHBondContact O-CE1 3.39Å
271	I	98.9	Very high	97	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	114.4	163.6	-45.4	175.9	0	0	0	109.1	M163 T243 V244 F245 G246 Q273 M362 W521 F524	M163-I271 HydrophobicContact CE-CD1 4Å; T243-I271 HydrophobicContact CG2-CD1 4.06Å; T243-I271 HydrophobicContact CG2-CG1 3.89Å; V244-I271 PolarHBondContact O-N 3.26Å; F245-I271 VanDerWaalsContact CA-O 3.26Å; F245-I271 WeakPolarHBondContact CA-O 3.05Å; F245-I271 HydrophobicContact CB-CB 3.67Å; F245-I271 HydrophobicContact CB-CD1 4.44Å; F245-I271 HydrophobicContact CB-CG1 4.26Å; G246-I271 PolarHBondContact N-O 3.05Å; I271-Q273 HydrophobicContact CG2-CG 4.13Å; I271-M362 CarbonylContact C-O 3.6Å; I271-M362 VanDerWaalsContact CA-O 3.26Å; I271-M362 WeakPolarHBondContact CA-O 3.15Å; I271-M362 HydrophobicContact CB-CB 4.48Å; I271-M362 HydrophobicContact CD1-SD 4.38Å; I271-M362 HydrophobicContact CG1-CB 4.23Å; I271-M362 HydrophobicContact CG1-SD 4.5Å; I271-M362 HydrophobicContact CG2-CB 4.07Å; I271-M362 HydrophobicContact CG2-CG 4.03Å; I271-M362 HydrophobicContact CG2-SD 3.81Å; I271-W521 HydrophobicContact CD1-CB 4.38Å; I271-W521 HydrophobicContact CD1-CG 4Å; I271-W521 HydrophobicContact CG2-CZ2 4.5Å; I271-F524 HydrophobicContact CD1-CD1 3.87Å; I271-F524 HydrophobicContact CD1-CE1 4.45Å; I271-F524 HydrophobicContact CG1-CD1 3.67Å; I271-F524 HydrophobicContact CG1-CE1 3.75Å
272	I	98.9	Very high	97.1	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	93.8	-169.5	-56.6	176	0	0	0	108.1	A251 V254 A270 G275 I361 M362 L363 G364	A251-I272 HydrophobicContact CB-CG2 3.8Å; V254-I272 HydrophobicContact CB-CG1 4.34Å; V254-I272 HydrophobicContact CG1-CG1 3.89Å; A270-I272 HydrophobicContact CB-CD1 4.39Å; A270-I272 HydrophobicContact CB-CG1 4.22Å; I272-G275 WeakPolarHBondContact CG2-O 3.36Å; I272-I361 HydrophobicContact CD1-CG2 3.94Å; I272-I361 HydrophobicContact CG1-CG2 4.41Å; I272-M362 PolarHBondContact N-O 3.24Å; I272-L363 HydrophobicContact CB-CB 3.91Å; I272-L363 VanDerWaalsContact O-CA 3.27Å; I272-L363 WeakPolarHBondContact O-CA 3.32Å; I272-L363 WeakPolarHBondContact O-CB 3.28Å; I272-G364 PolarHBondContact O-N 3.41Å
273	Q	98.8	Very high	97.1	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	118.1	-175.7	-53.6	170.4	-158.5	0	0	111	G246 S247 G248 A251 I271 G275 Y464 E486 W521	G246-Q273 VanDerWaalsContact O-CB 3.28Å; G246-Q273 WeakPolarHBondContact O-CB 3Å; G246-Q273 PolarHBondContact O-N 2.85Å; G246-Q273 VanDerWaalsContact O-N 3.11Å; S247-Q273 CarbonylContact C-O 3.57Å; S247-Q273 VanDerWaalsContact CA-O 3.32Å; S247-Q273 WeakPolarHBondContact CA-O 3.31Å; G248-Q273 PolarHBondContact N-O 3.47Å; A251-Q273 WeakPolarHBondContact CB-O 3.17Å; I271-Q273 HydrophobicContact CG2-CG 4.13Å; Q273-G275 VanDerWaalsContact C-N 3.3Å; Q273-G275 PolarHBondContact O-N 3Å; Q273-Y464 WeakPolarHBondContact CA-OH 3.44Å; Q273-Y464 WeakPolarHBondContact CB-OH 3.22Å; Q273-Y464 WeakPolarHBondContact CG-OH 3.14Å; Q273-E486 WeakPolarHBondContact CB-OE1 3.38Å; Q273-E486 PolarHBondContact NE2-OE1 3.4Å; Q273-W521 HydrophobicContact CG-CZ2 4.36Å
274	S	98	Very high	97.2	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	52.4	45.4	171.3	-62.9	0	0	0	0	113.6	G248 G364 E369 W443 H483	G248-S274 WeakPolarHBondContact CA-O 3.31Å; S274-G364 PolarHBondContact N-O 3.47Å; S274-E369 WeakPolarHBondContact CB-OE1 3.5Å; S274-E369 PolarHBondContact OG-OE1 3.14Å; S274-W443 PolarHBondContact O-NE1 3.16Å; S274-H483 PolarHBondContact O-CE1 3.11Å
275	G	96.9	Very high	97.3	Very high	1 Å²	1	18 Å²	18	1%	0.01	10%	0.1	C	C	.	.			trans	-168.7	170.4	175.4	0	0	0	0	0	112.1	I272 Q273	I272-G275 WeakPolarHBondContact CG2-O 3.36Å; Q273-G275 VanDerWaalsContact C-N 3.3Å; Q273-G275 PolarHBondContact O-N 3Å
276	S	96.9	Very high	97.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.092	C	C	.	.			trans	-160	161.3	177.4	174.9	0	0	0	0	109.4	S252 L278 A282 T450	S252-S276 WeakPolarHBondContact CB-O 3.41Å; S252-S276 PolarHBondContact OG-O 2.74Å; S276-L278 PolarHBondContact O-N 3.01Å; S276-L278 PolarHBondContact OG-N 3.5Å; S276-L278 VanDerWaalsContact OG-N 3.08Å; S276-A282 WeakPolarHBondContact O-CB 3.36Å; S276-T450 PolarHBondContact OG-OG1 3.25Å
277	A	97.8	Very high	97.4	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.008	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-13.4	166.2	0	0	0	0	0	113.5	S255 L256 L259 A282 P347 M351	S255-A277 WeakPolarHBondContact OG-CB 3.48Å; S255-A277 PolarHBondContact OG-N 3.28Å; L256-A277 HydrophobicContact CD2-CB 3.72Å; L256-A277 HydrophobicContact CG-CB 3.86Å; L259-A277 HydrophobicContact CD1-CB 4.15Å; A277-A282 WeakPolarHBondContact O-CB 3.35Å; A277-P347 HydrophobicContact CB-CB 3.73Å; A277-P347 HydrophobicContact CB-CG 4.22Å; A277-M351 HydrophobicContact CB-CE 4.02Å
278	L	97.6	Very high	97.4	Very high	43 Å²	43	23 Å²	23	23%	0.225	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-11.2	-175.6	-52.3	179.3	0	0	0	114.6	S276 P347 E348 M351 P446 V449	S276-L278 PolarHBondContact O-N 3.01Å; S276-L278 PolarHBondContact OG-N 3.5Å; S276-L278 VanDerWaalsContact OG-N 3.08Å; L278-P347 HydrophobicContact CD2-CB 4.11Å; L278-E348 HydrophobicContact CD2-CB 3.86Å; L278-M351 HydrophobicContact CD1-CE 4.41Å; L278-M351 HydrophobicContact CD1-SD 4Å; L278-M351 HydrophobicContact CD2-CE 4.12Å; L278-M351 HydrophobicContact CD2-SD 4.2Å; L278-M351 HydrophobicContact CG-CE 4.01Å; L278-M351 HydrophobicContact CG-SD 4.18Å; L278-P446 HydrophobicContact CB-CB 4.15Å; L278-V449 HydrophobicContact CD1-CB 3.97Å; L278-V449 HydrophobicContact CD1-CG1 3.59Å
279	S	95.8	Very high	97.4	Very high	6 Å²	6	26 Å²	26	4%	0.042	13%	0.125	C	C	.	.	S	Bend	trans	-67.2	147.9	178.9	-56.5	0	0	0	0	111.6	W281 A282 Q442	S279-W281 VanDerWaalsContact CB-NE1 3.35Å; S279-W281 PolarHBondContact O-N 3.39Å; S279-A282 VanDerWaalsContact O-CB 3.22Å; S279-A282 WeakPolarHBondContact O-CB 3.35Å; S279-A282 PolarHBondContact O-N 2.84Å; S279-Q442 PolarHBondContact OG-O 3.22Å
280	S	94.5	Very high	97.3	Very high	22 Å²	22	24.9 Å²	24.9	15%	0.154	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-20.8	-177.4	66	0	0	0	0	115.7	Y330 H331 Q442	S280-Y330 CarbonylContact C-O 3.34Å; S280-Y330 WeakPolarHBondContact CB-O 3.39Å; S280-Y330 PolarHBondContact OG-O 3.02Å; S280-H331 PolarHBondContact O-CD2 3.23Å; S280-Q442 PolarHBondContact OG-NE2 2.93Å
281	W	94.5	Very high	97.3	Very high	7 Å²	7	24.9 Å²	24.9	3%	0.027	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-0.3	177.8	48.7	47.6	0	0	0	114.2	M118 Y171 S279 Y330 V332 F438 Q442 W443	M118-W281 HydrophobicContact CB-CE3 4.46Å; M118-W281 HydrophobicContact CB-CZ3 4.48Å; M118-W281 HydrophobicContact CE-CB 4.05Å; M118-W281 HydrophobicContact CE-CE3 3.89Å; M118-W281 HydrophobicContact CG-CD2 4.15Å; M118-W281 HydrophobicContact CG-CE3 3.55Å; M118-W281 HydrophobicContact CG-CZ3 3.74Å; M118-W281 HydrophobicContact SD-CB 3.92Å; M118-W281 HydrophobicContact SD-CD2 4.22Å; M118-W281 HydrophobicContact SD-CE3 3.92Å; M118-W281 HydrophobicContact SD-CG 4.29Å; Y171-W281 WeakPolarHBondContact CE2-O 3.29Å; S279-W281 VanDerWaalsContact CB-NE1 3.35Å; S279-W281 PolarHBondContact O-N 3.39Å; W281-Y330 PolarHBondContact N-O 3.42Å; W281-V332 HydrophobicContact CB-CG1 4.03Å; W281-V332 VanDerWaalsContact O-CG1 3.31Å; W281-V332 WeakPolarHBondContact O-CG1 3.38Å; W281-V332 WeakPolarHBondContact O-CG2 3.28Å; W281-F438 HydrophobicContact CH2-CE1 4.14Å; W281-F438 HydrophobicContact CH2-CZ 4.28Å; W281-F438 HydrophobicContact CZ3-CE1 4.21Å; W281-F438 AromaticContact CZ3-CZ 3.94Å; W281-F438 HydrophobicContact CZ3-CZ 3.94Å; W281-Q442 HydrophobicContact CH2-CB 3.62Å; W281-Q442 HydrophobicContact CH2-CG 3.77Å; W281-Q442 HydrophobicContact CZ2-CB 3.7Å; W281-Q442 HydrophobicContact CZ2-CG 4.28Å; W281-Q442 HydrophobicContact CZ3-CB 4.34Å; W281-Q442 HydrophobicContact CZ3-CG 4.03Å; W281-Q442 VanDerWaalsContact CZ3-NE2 3.3Å; W281-W443 HydrophobicContact CH2-CE3 4.5Å; W281-W443 AromaticContact CH2-CH2 3.55Å; W281-W443 HydrophobicContact CH2-CH2 3.55Å; W281-W443 AromaticContact CH2-CZ2 3.54Å; W281-W443 HydrophobicContact CH2-CZ2 3.54Å; W281-W443 HydrophobicContact CH2-CZ3 4.03Å; W281-W443 HydrophobicContact CZ2-CD2 4.19Å; W281-W443 AromaticContact CZ2-CE2 3.65Å; W281-W443 HydrophobicContact CZ2-CH2 4.04Å; W281-W443 AromaticContact CZ2-CZ2 3.58Å; W281-W443 HydrophobicContact CZ2-CZ2 3.58Å; W281-W443 HydrophobicContact CZ2-CZ3 4.47Å
282	A	96.7	Very high	97.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-35.5	-175.9	0	0	0	0	0	112.7	Y171 S276 A277 S279	Y171-A282 PolarHBondContact OH-O 3.44Å; S276-A282 WeakPolarHBondContact O-CB 3.36Å; A277-A282 WeakPolarHBondContact O-CB 3.35Å; S279-A282 VanDerWaalsContact O-CB 3.22Å; S279-A282 WeakPolarHBondContact O-CB 3.35Å; S279-A282 PolarHBondContact O-N 2.84Å
283	V	97.9	Very high	97.1	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.018	16%	0.156	C	C	.	.	S	Bend	trans	-129	142.4	-176.5	176	0	0	0	0	110.4	L256 Y285 P336 I338 P347	L256-V283 HydrophobicContact CD2-CG2 4.21Å; V283-Y285 HydrophobicContact CB-CE2 3.87Å; V283-Y285 HydrophobicContact CG1-CD1 4.39Å; V283-Y285 HydrophobicContact CG1-CD2 4.35Å; V283-Y285 HydrophobicContact CG1-CE1 4.03Å; V283-Y285 HydrophobicContact CG1-CE2 3.98Å; V283-P336 CarbonylContact C-O 3.52Å; V283-P336 WeakPolarHBondContact CA-O 3.32Å; V283-I338 HydrophobicContact CG1-CG1 4.27Å; V283-P347 HydrophobicContact CG2-CG 3.92Å
284	N	97.6	Very high	97	Very high	7 Å²	7	30.6 Å²	30.6	4%	0.037	16%	0.156	C	C	.	.			trans	-94.5	105.2	172.7	179.4	10.7	0	0	0	110.6	Q286 P287 V332 A333 P336 V337	N284-Q286 VanDerWaalsContact C-N 3.32Å; N284-Q286 VanDerWaalsContact OD1-C 3.32Å; N284-Q286 PolarHBondContact OD1-N 2.61Å; N284-P287 WeakPolarHBondContact ND2-CA 3.28Å; N284-V332 HydrophobicContact CB-CG2 4.27Å; N284-A333 PolarHBondContact ND2-O 2.88Å; N284-P336 PolarHBondContact N-O 3Å; N284-V337 HydrophobicContact CB-CG1 4.18Å
285	Y	96.7	Very high	97	Very high	125 Å²	125	30.7 Å²	30.7	49%	0.49	16%	0.156	S	C	.	.	S	Bend	trans	-84.1	-0.2	176.2	-60.8	-84.7	0	0	0	114	V283 P287 I338 D346	V283-Y285 HydrophobicContact CB-CE2 3.87Å; V283-Y285 HydrophobicContact CG1-CD1 4.39Å; V283-Y285 HydrophobicContact CG1-CD2 4.35Å; V283-Y285 HydrophobicContact CG1-CE1 4.03Å; V283-Y285 HydrophobicContact CG1-CE2 3.98Å; Y285-P287 VanDerWaalsContact C-CD 3.45Å; Y285-I338 HydrophobicContact CD1-CD1 4.24Å; Y285-I338 HydrophobicContact CE1-CD1 3.69Å; Y285-D346 PolarHBondContact OH-OD2 3.31Å
286	Q	97.1	Very high	97.1	Very high	97 Å²	97	34.6 Å²	34.6	45%	0.453	18%	0.177	S	C	.	.			trans	-130.8	47	-179.2	-60.6	-170	-17.4	0	0	113.7	N284 V288 K289 Y290	N284-Q286 VanDerWaalsContact C-N 3.32Å; N284-Q286 VanDerWaalsContact OD1-C 3.32Å; N284-Q286 PolarHBondContact OD1-N 2.61Å; Q286-V288 PolarHBondContact O-N 3.33Å; Q286-K289 HydrophobicContact CB-CB 4.31Å; Q286-K289 HydrophobicContact CB-CD 4.18Å; Q286-K289 WeakPolarHBondContact O-CB 3.47Å; Q286-K289 PolarHBondContact O-N 3.27Å; Q286-Y290 HydrophobicContact CB-CD2 4.45Å; Q286-Y290 HydrophobicContact CB-CE2 4.03Å; Q286-Y290 VanDerWaalsContact O-CD2 3.25Å; Q286-Y290 WeakPolarHBondContact O-CD2 3.31Å
287	P	97.6	Very high	97.1	Very high	17 Å²	17	39.1 Å²	39.1	11%	0.11	20%	0.196	C	C	.	.	H	α-helix	trans	-61.1	-42.9	-173.4	23.9	-33	0	0	0	113.3	S206 N284 Y285 K289 Y290 T291 V337	S206-P287 CarbonylContact O-C 3.58Å; N284-P287 WeakPolarHBondContact ND2-CA 3.28Å; Y285-P287 VanDerWaalsContact C-CD 3.45Å; P287-K289 VanDerWaalsContact C-N 3.27Å; P287-K289 PolarHBondContact O-N 3.45Å; P287-Y290 PolarHBondContact O-N 2.9Å; P287-Y290 VanDerWaalsContact O-N 3.16Å; P287-T291 WeakPolarHBondContact O-CB 3.48Å; P287-T291 PolarHBondContact O-N 3.33Å; P287-T291 PolarHBondContact O-OG1 3.48Å; P287-V337 HydrophobicContact CB-CG1 3.82Å; P287-V337 HydrophobicContact CG-CG1 3.94Å
288	V	97.8	Very high	97.1	Very high	77 Å²	77	39.5 Å²	39.5	47%	0.467	20%	0.199	S	C	.	.	H	α-helix	trans	-52.2	-45.9	179.8	-166.1	0	0	0	0	111.5	T207 Q286 Y290 T291 S292	T207-V288 WeakPolarHBondContact O-CG2 3.38Å; Q286-V288 PolarHBondContact O-N 3.33Å; V288-Y290 PolarHBondContact O-N 2.91Å; V288-T291 PolarHBondContact O-N 3.38Å; V288-S292 WeakPolarHBondContact O-CB 3.46Å; V288-S292 PolarHBondContact O-N 3.14Å; V288-S292 PolarHBondContact O-OG 2.98Å; V288-S292 VanDerWaalsContact O-OG 3.1Å
289	K	97.3	Very high	97.1	Very high	108 Å²	108	40.4 Å²	40.4	47%	0.47	22%	0.219	S	C	.	.	H	α-helix	trans	-60.8	-46.8	-178.9	173.6	-165.5	175.3	-162.8	0	112.2	Q286 P287 L293	Q286-K289 HydrophobicContact CB-CB 4.31Å; Q286-K289 HydrophobicContact CB-CD 4.18Å; Q286-K289 WeakPolarHBondContact O-CB 3.47Å; Q286-K289 PolarHBondContact O-N 3.27Å; P287-K289 VanDerWaalsContact C-N 3.27Å; P287-K289 PolarHBondContact O-N 3.45Å; K289-L293 WeakPolarHBondContact O-CB 3.3Å; K289-L293 PolarHBondContact O-N 3.31Å; K289-L293 VanDerWaalsContact O-N 3.11Å
290	Y	97.5	Very high	97.2	Very high	7 Å²	7	40.2 Å²	40.2	3%	0.027	22%	0.217	C	C	.	.	H	α-helix	trans	-76.3	-34.9	-177.6	-62	-61.1	0	0	0	112.1	Q286 P287 V288 L293 L294 I325 P327 A328 A333	Q286-Y290 HydrophobicContact CB-CD2 4.45Å; Q286-Y290 HydrophobicContact CB-CE2 4.03Å; Q286-Y290 VanDerWaalsContact O-CD2 3.25Å; Q286-Y290 WeakPolarHBondContact O-CD2 3.31Å; P287-Y290 PolarHBondContact O-N 2.9Å; P287-Y290 VanDerWaalsContact O-N 3.16Å; V288-Y290 PolarHBondContact O-N 2.91Å; Y290-L293 PolarHBondContact O-N 3.06Å; Y290-L294 WeakPolarHBondContact O-CB 3.46Å; Y290-L294 PolarHBondContact O-N 3Å; Y290-I325 HydrophobicContact CD1-CG2 3.92Å; Y290-I325 HydrophobicContact CG-CG2 4.47Å; Y290-P327 HydrophobicContact CE1-CB 4.41Å; Y290-A328 PolarHBondContact OH-N 3.28Å; Y290-A333 WeakPolarHBondContact CB-O 3.28Å; Y290-A333 HydrophobicContact CD1-CB 3.92Å; Y290-A333 HydrophobicContact CD2-CB 4.22Å; Y290-A333 WeakPolarHBondContact CD2-O 3.23Å; Y290-A333 HydrophobicContact CE1-CB 4.32Å; Y290-A333 HydrophobicContact CG-CB 3.89Å
291	T	98	Very high	97	Very high	1 Å²	1	44 Å²	44	1%	0.006	24%	0.236	C	C	.	.	H	α-helix	trans	-63.9	-45.1	172.4	-63.3	0	0	0	0	111.9	L205 S206 T207 P287 V288 L294 A295 M308	L205-T291 HydrophobicContact CD1-CG2 4.09Å; L205-T291 HydrophobicContact CD2-CG2 4.08Å; L205-T291 HydrophobicContact CG-CG2 3.96Å; S206-T291 WeakPolarHBondContact O-CB 3.27Å; S206-T291 PolarHBondContact O-OG1 3.43Å; T207-T291 HydrophobicContact CG2-CG2 4.07Å; P287-T291 WeakPolarHBondContact O-CB 3.48Å; P287-T291 PolarHBondContact O-N 3.33Å; P287-T291 PolarHBondContact O-OG1 3.48Å; V288-T291 PolarHBondContact O-N 3.38Å; T291-L294 PolarHBondContact O-N 3.36Å; T291-A295 WeakPolarHBondContact O-CB 3.31Å; T291-A295 PolarHBondContact O-N 2.85Å; T291-M308 HydrophobicContact CG2-CE 3.91Å
292	S	97.1	Very high	96.9	Very high	51 Å²	51	46.8 Å²	46.8	36%	0.357	25%	0.253	S	S	.	.	H	α-helix	trans	-62.8	-43	174.4	-63.7	0	0	0	0	112.2	V288 L294 A295 D296	V288-S292 WeakPolarHBondContact O-CB 3.46Å; V288-S292 PolarHBondContact O-N 3.14Å; V288-S292 PolarHBondContact O-OG 2.98Å; V288-S292 VanDerWaalsContact O-OG 3.1Å; S292-L294 VanDerWaalsContact C-N 3.31Å; S292-L294 PolarHBondContact O-N 2.94Å; S292-A295 PolarHBondContact O-N 3.28Å; S292-D296 PolarHBondContact O-N 3.44Å
293	L	96.9	Very high	96.6	Very high	70 Å²	70	55.3 Å²	55.3	37%	0.366	30%	0.298	S	S	.	.	H	α-helix	trans	-63.3	-35.8	177.6	-177.4	62.1	0	0	0	112.6	K289 Y290 K297 I325	K289-L293 WeakPolarHBondContact O-CB 3.3Å; K289-L293 PolarHBondContact O-N 3.31Å; K289-L293 VanDerWaalsContact O-N 3.11Å; Y290-L293 PolarHBondContact O-N 3.06Å; L293-K297 WeakPolarHBondContact O-CG 3.28Å; L293-K297 PolarHBondContact O-N 3Å; L293-I325 HydrophobicContact CB-CD1 4.41Å; L293-I325 HydrophobicContact CD2-CD1 4.17Å; L293-I325 HydrophobicContact CD2-CG2 4.36Å; L293-I325 HydrophobicContact CG-CD1 3.87Å
294	L	97.8	Very high	96.5	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-66.4	-47.9	171.6	176.6	70.3	0	0	0	111.3	V201 L205 Y290 T291 S292 D296 K297 V298 L320 Q323 I325 F334	V201-L294 HydrophobicContact CB-CD2 4.36Å; V201-L294 HydrophobicContact CG1-CD2 3.48Å; V201-L294 VanDerWaalsContact CG1-CD2 3.48Å; V201-L294 HydrophobicContact CG2-CD2 3.89Å; L205-L294 HydrophobicContact CD1-CD2 3.77Å; Y290-L294 WeakPolarHBondContact O-CB 3.46Å; Y290-L294 PolarHBondContact O-N 3Å; T291-L294 PolarHBondContact O-N 3.36Å; S292-L294 VanDerWaalsContact C-N 3.31Å; S292-L294 PolarHBondContact O-N 2.94Å; L294-D296 VanDerWaalsContact C-N 3.29Å; L294-D296 PolarHBondContact O-N 3Å; L294-K297 PolarHBondContact O-N 2.94Å; L294-K297 VanDerWaalsContact O-N 3.1Å; L294-V298 HydrophobicContact CD1-CG1 4.42Å; L294-V298 PolarHBondContact O-N 2.93Å; L294-V298 VanDerWaalsContact O-N 3.08Å; L294-L320 HydrophobicContact CD2-CD2 4.48Å; L294-Q323 HydrophobicContact CD1-CB 3.7Å; L294-Q323 HydrophobicContact CD1-CG 3.66Å; L294-I325 HydrophobicContact CB-CD1 4.21Å; L294-I325 HydrophobicContact CB-CG1 4.44Å; L294-I325 HydrophobicContact CD1-CD1 4.49Å; L294-I325 HydrophobicContact CD1-CG1 4.3Å; L294-F334 HydrophobicContact CB-CZ 4.11Å; L294-F334 HydrophobicContact CD2-CE1 4.49Å; L294-F334 HydrophobicContact CD2-CZ 4.04Å
295	A	98	Very high	96.5	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.008	33%	0.328	C	S	.	.	H	α-helix	trans	-58.9	-40.2	179.1	0	0	0	0	0	111.8	T291 S292 G299 C300 N301 M308	T291-A295 WeakPolarHBondContact O-CB 3.31Å; T291-A295 PolarHBondContact O-N 2.85Å; S292-A295 PolarHBondContact O-N 3.28Å; A295-G299 PolarHBondContact O-N 3.48Å; A295-C300 HydrophobicContact CB-CB 4.25Å; A295-C300 PolarHBondContact O-N 3.22Å; A295-N301 PolarHBondContact O-N 3.04Å; A295-M308 HydrophobicContact CB-CG 3.89Å; A295-M308 HydrophobicContact CB-SD 3.52Å; A295-M308 VanDerWaalsContact CB-SD 3.52Å
296	D	97.4	Very high	96.6	Very high	84 Å²	84	58.1 Å²	58.1	45%	0.449	33%	0.325	S	S	.	.	H	α-helix	trans	-55.2	-53.4	169.9	-84.9	-39.9	0	0	0	111.9	S292 L294 V298 G299 N301	S292-D296 PolarHBondContact O-N 3.44Å; L294-D296 VanDerWaalsContact C-N 3.29Å; L294-D296 PolarHBondContact O-N 3Å; D296-V298 VanDerWaalsContact C-N 3.3Å; D296-V298 PolarHBondContact O-N 3.07Å; D296-G299 PolarHBondContact O-N 3.45Å; D296-G299 VanDerWaalsContact O-N 3.17Å; D296-N301 WeakPolarHBondContact OD1-CB 3.46Å; D296-N301 PolarHBondContact OD1-ND2 2.86Å
297	K	97.3	Very high	96.6	Very high	94 Å²	94	58.2 Å²	58.2	41%	0.409	33%	0.329	S	S	.	.	H	α-helix	trans	-62.6	-33.5	-175.9	-76.1	-165.5	175.4	-165.6	0	113.8	L293 L294 Q323 D324 I325	L293-K297 WeakPolarHBondContact O-CG 3.28Å; L293-K297 PolarHBondContact O-N 3Å; L294-K297 PolarHBondContact O-N 2.94Å; L294-K297 VanDerWaalsContact O-N 3.1Å; K297-Q323 HydrophobicContact CB-CG 4.45Å; K297-Q323 HydrophobicContact CD-CB 4.43Å; K297-D324 PolarHBondContact NZ-O 3.2Å; K297-I325 HydrophobicContact CD-CD1 3.96Å
298	V	97.9	Very high	96.7	Very high	9 Å²	9	57.9 Å²	57.9	6%	0.055	33%	0.326	C	S	.	.	H	α-helix	trans	-96.2	3	178.5	-52.3	0	0	0	0	113.7	L294 D296 C300 L312 K315 E319 L320 Q323	L294-V298 HydrophobicContact CD1-CG1 4.42Å; L294-V298 PolarHBondContact O-N 2.93Å; L294-V298 VanDerWaalsContact O-N 3.08Å; D296-V298 VanDerWaalsContact C-N 3.3Å; D296-V298 PolarHBondContact O-N 3.07Å; V298-C300 HydrophobicContact CG2-CB 4.17Å; V298-L312 HydrophobicContact CG2-CD2 3.61Å; V298-K315 HydrophobicContact CG2-CG 4.25Å; V298-K315 WeakPolarHBondContact O-CE 3.39Å; V298-K315 PolarHBondContact O-NZ 3.3Å; V298-E319 HydrophobicContact CG1-CG 4.34Å; V298-L320 HydrophobicContact CG1-CD2 4.35Å; V298-L320 HydrophobicContact CG2-CD2 4.34Å; V298-Q323 HydrophobicContact CG1-CG 3.8Å
299	G	97.6	Very high	96.7	Very high	63 Å²	63	54.2 Å²	54.2	65%	0.649	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	28.7	178	0	0	0	0	0	114.8	A295 D296	A295-G299 PolarHBondContact O-N 3.48Å; D296-G299 PolarHBondContact O-N 3.45Å; D296-G299 VanDerWaalsContact O-N 3.17Å
300	C	97.8	Very high	96.7	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.007	30%	0.296	C	S	.	.			trans	-104.8	18.6	172.5	-69.7	0	0	0	0	113.1	A295 V298 V302 C311 L312 K315	A295-C300 HydrophobicContact CB-CB 4.25Å; A295-C300 PolarHBondContact O-N 3.22Å; V298-C300 HydrophobicContact CG2-CB 4.17Å; C300-V302 PolarHBondContact O-N 3.07Å; C300-C311 WeakPolarHBondContact CA-SG 3.42Å; C300-C311 HydrophobicContact CB-CB 3.64Å; C300-C311 WeakPolarHBondContact CB-SG 3.38Å; C300-C311 WeakPolarHBondContact SG-CB 3.44Å; C300-C311 CovalentContact SG-SG 2.04Å; C300-C311 PolarHBondContact SG-SG 3.33Å; C300-L312 HydrophobicContact CB-CD2 4.14Å; C300-L312 HydrophobicContact CB-CG 4.16Å; C300-K315 VanDerWaalsContact SG-CE 3.6Å
301	N	91.1	Very high	96.7	Very high	101 Å²	101	53.1 Å²	53.1	54%	0.54	31%	0.306	S	S	.	.			trans	-69.4	96.9	175.1	-178.8	-1.4	0	0	0	110.9	A295 D296	A295-N301 PolarHBondContact O-N 3.04Å; D296-N301 WeakPolarHBondContact OD1-CB 3.46Å; D296-N301 PolarHBondContact OD1-ND2 2.86Å
302	V	91.8	Very high	96.8	Very high	66 Å²	66	53.1 Å²	53.1	40%	0.4	31%	0.306	S	S	.	.			trans	-128.6	151.9	169.6	-65.6	0	0	0	0	108.8	C300 D307 M308	C300-V302 PolarHBondContact O-N 3.07Å; V302-D307 HydrophobicContact CG2-CB 3.77Å; V302-M308 VanDerWaalsContact CG2-CA 3.47Å; V302-M308 HydrophobicContact CG2-CB 3.7Å; V302-M308 VanDerWaalsContact CG2-N 3.26Å
303	L	90.6	Very high	96.8	Very high	180 Å²	180	52.4 Å²	52.4	94%	0.942	30%	0.295	S	S	*	.	S	Bend	trans	-74.7	-25.1	-173.1	-66.6	175.1	0	0	0	113.7
304	D	96.8	Very high	96.8	Very high	81 Å²	81	57 Å²	57	43%	0.433	32%	0.315	S	S	.	.	S	Bend	trans	-86.5	128.1	175.3	-174	-79.7	0	0	0	110	V306 D307 M308	D304-V306 VanDerWaalsContact C-N 3.33Å; D304-V306 PolarHBondContact O-N 3.29Å; D304-V306 WeakPolarHBondContact OD1-CA 3.47Å; D304-V306 VanDerWaalsContact OD1-CB 3.28Å; D304-V306 WeakPolarHBondContact OD1-CB 3.28Å; D304-V306 PolarHBondContact OD1-N 2.94Å; D304-D307 HydrophobicContact CB-CB 4.17Å; D304-D307 PolarHBondContact OD1-N 3.28Å; D304-D307 VanDerWaalsContact OD1-N 3.08Å; D304-M308 WeakPolarHBondContact O-CB 3.36Å; D304-M308 PolarHBondContact O-N 3.5Å
305	T	97.2	Very high	96.9	Very high	39 Å²	39	59.1 Å²	59.1	24%	0.239	32%	0.324	C	S	.	.	H	α-helix	trans	-73.2	-24.9	-174.5	47.6	0	0	0	0	112.9	T207 D209 A211 M308 V309	T207-T305 HydrophobicContact CG2-CG2 4.31Å; D209-T305 VanDerWaalsContact OD2-CB 3.32Å; D209-T305 WeakPolarHBondContact OD2-CB 3.43Å; D209-T305 WeakPolarHBondContact OD2-CG2 3.31Å; D209-T305 PolarHBondContact OD2-OG1 3.14Å; A211-T305 WeakPolarHBondContact CB-O 3.43Å; T305-M308 HydrophobicContact CG2-CE 4.18Å; T305-V309 VanDerWaalsContact O-CG2 3.24Å; T305-V309 WeakPolarHBondContact O-CG2 3.48Å; T305-V309 PolarHBondContact O-N 2.84Å; T305-V309 VanDerWaalsContact O-N 3.08Å
306	V	97.8	Very high	96.8	Very high	73 Å²	73	62 Å²	62	44%	0.442	34%	0.344	S	S	.	.	H	α-helix	trans	-73	-49.9	174.7	-174	0	0	0	0	109.6	A211 D304 M308 V309 D310	A211-V306 HydrophobicContact CB-CG2 3.97Å; D304-V306 VanDerWaalsContact C-N 3.33Å; D304-V306 PolarHBondContact O-N 3.29Å; D304-V306 WeakPolarHBondContact OD1-CA 3.47Å; D304-V306 VanDerWaalsContact OD1-CB 3.28Å; D304-V306 WeakPolarHBondContact OD1-CB 3.28Å; D304-V306 PolarHBondContact OD1-N 2.94Å; V306-M308 PolarHBondContact O-N 3.47Å; V306-V309 PolarHBondContact O-N 3.18Å; V306-V309 VanDerWaalsContact O-N 3.14Å; V306-D310 PolarHBondContact O-N 2.88Å
307	D	97.9	Very high	96.8	Very high	99 Å²	99	58.4 Å²	58.4	53%	0.529	33%	0.326	S	S	.	.	H	α-helix	trans	-57.7	-37.6	175	-74	-23.3	0	0	0	111.5	V302 D304 C311	V302-D307 HydrophobicContact CG2-CB 3.77Å; D304-D307 HydrophobicContact CB-CB 4.17Å; D304-D307 PolarHBondContact OD1-N 3.28Å; D304-D307 VanDerWaalsContact OD1-N 3.08Å; D307-C311 WeakPolarHBondContact O-CB 3.44Å; D307-C311 PolarHBondContact O-N 2.99Å
308	M	98.3	Very high	96.7	Very high	10 Å²	10	60.3 Å²	60.3	5%	0.049	34%	0.335	C	S	.	.	H	α-helix	trans	-64.2	-47.9	176	179.1	175.6	62.3	0	0	111.6	T207 T291 A295 V302 D304 T305 V306 D310 C311 L312	T207-M308 HydrophobicContact CG2-CE 3.52Å; T291-M308 HydrophobicContact CG2-CE 3.91Å; A295-M308 HydrophobicContact CB-CG 3.89Å; A295-M308 HydrophobicContact CB-SD 3.52Å; A295-M308 VanDerWaalsContact CB-SD 3.52Å; V302-M308 VanDerWaalsContact CG2-CA 3.47Å; V302-M308 HydrophobicContact CG2-CB 3.7Å; V302-M308 VanDerWaalsContact CG2-N 3.26Å; D304-M308 WeakPolarHBondContact O-CB 3.36Å; D304-M308 PolarHBondContact O-N 3.5Å; T305-M308 HydrophobicContact CG2-CE 4.18Å; V306-M308 PolarHBondContact O-N 3.47Å; M308-D310 VanDerWaalsContact C-N 3.35Å; M308-C311 PolarHBondContact O-N 3.15Å; M308-L312 HydrophobicContact CG-CD1 4.03Å; M308-L312 VanDerWaalsContact O-CG 3.26Å; M308-L312 WeakPolarHBondContact O-CG 3.39Å; M308-L312 PolarHBondContact O-N 2.94Å
309	V	98.3	Very high	96.6	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-66.4	-38.1	179.4	174.2	0	0	0	0	110.9	F84 T207 A211 A212 T305 V306 L312 R313	F84-V309 HydrophobicContact CB-CG1 4.45Å; F84-V309 HydrophobicContact CD2-CG1 4.04Å; T207-V309 HydrophobicContact CG2-CG2 3.76Å; A211-V309 HydrophobicContact CB-CG2 4.12Å; A212-V309 HydrophobicContact CB-CG1 4.37Å; A212-V309 HydrophobicContact CB-CG2 3.74Å; T305-V309 VanDerWaalsContact O-CG2 3.24Å; T305-V309 WeakPolarHBondContact O-CG2 3.48Å; T305-V309 PolarHBondContact O-N 2.84Å; T305-V309 VanDerWaalsContact O-N 3.08Å; V306-V309 PolarHBondContact O-N 3.18Å; V306-V309 VanDerWaalsContact O-N 3.14Å; V309-L312 CarbonylContact O-C 3.52Å; V309-L312 PolarHBondContact O-N 2.9Å; V309-L312 VanDerWaalsContact O-N 3.17Å; V309-R313 WeakPolarHBondContact O-CG 3.4Å; V309-R313 PolarHBondContact O-N 2.89Å
310	D	98	Very high	96.5	Very high	59 Å²	59	60.2 Å²	60.2	32%	0.316	32%	0.316	S	S	.	.	H	α-helix	trans	-65.5	-38.4	175	-76.5	-13.5	0	0	0	112.4	V306 M308 R313 Q314	V306-D310 PolarHBondContact O-N 2.88Å; M308-D310 VanDerWaalsContact C-N 3.35Å; D310-R313 PolarHBondContact O-N 2.88Å; D310-R313 IonicContact OD1-CZ 2.69Å; D310-R313 IonicContact OD1-NH1 3.51Å; D310-R313 PolarHBondContact OD1-NH1 3.47Å; D310-Q314 WeakPolarHBondContact O-CG 3.3Å; D310-Q314 PolarHBondContact O-N 3.04Å
311	C	98.3	Very high	96.4	Very high	34 Å²	34	61.1 Å²	61.1	23%	0.23	32%	0.322	C	S	.	.	H	α-helix	trans	-61.5	-43.2	169.7	-178.2	0	0	0	0	111.8	C300 D307 M308 R313 Q314 K315	C300-C311 WeakPolarHBondContact CA-SG 3.42Å; C300-C311 HydrophobicContact CB-CB 3.64Å; C300-C311 WeakPolarHBondContact CB-SG 3.38Å; C300-C311 WeakPolarHBondContact SG-CB 3.44Å; C300-C311 CovalentContact SG-SG 2.04Å; C300-C311 PolarHBondContact SG-SG 3.33Å; D307-C311 WeakPolarHBondContact O-CB 3.44Å; D307-C311 PolarHBondContact O-N 2.99Å; M308-C311 PolarHBondContact O-N 3.15Å; C311-R313 VanDerWaalsContact C-N 3.35Å; C311-R313 PolarHBondContact O-N 3.45Å; C311-Q314 PolarHBondContact O-N 3.4Å; C311-Q314 VanDerWaalsContact O-N 3.15Å; C311-K315 PolarHBondContact O-N 2.77Å
312	L	98.4	Very high	96.4	Very high	0 Å²	0	61 Å²	61	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-66.9	-31.1	177.8	-69	166.7	0	0	0	112.8	R83 F84 L205 V298 C300 M308 V309 Q314 K315 L320	R83-L312 PolarHBondContact NH1-O 3.5Å; F84-L312 HydrophobicContact CE2-CB 3.89Å; F84-L312 HydrophobicContact CZ-CB 4.43Å; L205-L312 HydrophobicContact CD1-CD1 3.93Å; V298-L312 HydrophobicContact CG2-CD2 3.61Å; C300-L312 HydrophobicContact CB-CD2 4.14Å; C300-L312 HydrophobicContact CB-CG 4.16Å; M308-L312 HydrophobicContact CG-CD1 4.03Å; M308-L312 VanDerWaalsContact O-CG 3.26Å; M308-L312 WeakPolarHBondContact O-CG 3.39Å; M308-L312 PolarHBondContact O-N 2.94Å; V309-L312 CarbonylContact O-C 3.52Å; V309-L312 PolarHBondContact O-N 2.9Å; V309-L312 VanDerWaalsContact O-N 3.17Å; L312-Q314 VanDerWaalsContact C-N 3.29Å; L312-Q314 PolarHBondContact O-N 3.16Å; L312-K315 PolarHBondContact O-N 3.23Å; L312-L320 HydrophobicContact CD2-CD2 3.75Å
313	R	98.1	Very high	96.5	Very high	36 Å²	36	60.4 Å²	60.4	14%	0.136	31%	0.311	C	S	.	.	H	α-helix	trans	-63.6	-33.6	171	-73.9	179.5	-180	116.8	6.3	112.3	R83 F84 V309 D310 C311 K315	R83-R313 HydrophobicContact CB-CG 4.45Å; R83-R313 PolarHBondContact NH1-O 2.84Å; R83-R313 PolarHBondContact O-NE 2.98Å; F84-R313 HydrophobicContact CD2-CG 3.97Å; F84-R313 HydrophobicContact CE2-CG 4.33Å; V309-R313 WeakPolarHBondContact O-CG 3.4Å; V309-R313 PolarHBondContact O-N 2.89Å; D310-R313 PolarHBondContact O-N 2.88Å; D310-R313 IonicContact OD1-CZ 2.69Å; D310-R313 IonicContact OD1-NH1 3.51Å; D310-R313 PolarHBondContact OD1-NH1 3.47Å; C311-R313 VanDerWaalsContact C-N 3.35Å; C311-R313 PolarHBondContact O-N 3.45Å; R313-K315 VanDerWaalsContact C-N 3.31Å; R313-K315 PolarHBondContact O-N 2.9Å
314	Q	97.4	Very high	96.5	Very high	166 Å²	166	55.5 Å²	55.5	78%	0.776	29%	0.286	S	S	*	.	H	α-helix	trans	-76.1	-15.1	179.3	-65.9	173.1	32.2	0	0	114	D310 C311 L312	D310-Q314 WeakPolarHBondContact O-CG 3.3Å; D310-Q314 PolarHBondContact O-N 3.04Å; C311-Q314 PolarHBondContact O-N 3.4Å; C311-Q314 VanDerWaalsContact O-N 3.15Å; L312-Q314 VanDerWaalsContact C-N 3.29Å; L312-Q314 PolarHBondContact O-N 3.16Å
315	K	98.1	Very high	96.3	Very high	45 Å²	45	52.3 Å²	52.3	20%	0.196	27%	0.269	C	S	.	.	S	Bend	trans	-71.7	156.1	176.1	-60.7	-49.3	-161	145.5	0	112.4	R83 V298 C300 C311 L312 R313 E319 L320	R83-K315 PolarHBondContact NH1-O 3.26Å; R83-K315 PolarHBondContact NH2-O 2.75Å; V298-K315 HydrophobicContact CG2-CG 4.25Å; V298-K315 WeakPolarHBondContact O-CE 3.39Å; V298-K315 PolarHBondContact O-NZ 3.3Å; C300-K315 VanDerWaalsContact SG-CE 3.6Å; C311-K315 PolarHBondContact O-N 2.77Å; L312-K315 PolarHBondContact O-N 3.23Å; R313-K315 VanDerWaalsContact C-N 3.31Å; R313-K315 PolarHBondContact O-N 2.9Å; K315-E319 WeakPolarHBondContact CE-OE1 3.34Å; K315-E319 IonicContact NZ-OE1 3.7Å; K315-E319 PolarHBondContact NZ-OE1 2.94Å; K315-L320 HydrophobicContact CB-CD1 4.29Å; K315-L320 HydrophobicContact CB-CD2 3.83Å; K315-L320 HydrophobicContact CB-CG 3.87Å; K315-L320 HydrophobicContact CG-CD2 4.1Å
316	S	97.6	Very high	95.9	Very high	61 Å²	61	55.3 Å²	55.3	43%	0.427	28%	0.28	S	S	.	.			trans	-73.6	144.1	168.4	71.7	0	0	0	0	110.4	K318 E319 L320	S316-K318 PolarHBondContact O-N 3.28Å; S316-E319 PolarHBondContact O-N 2.96Å; S316-E319 VanDerWaalsContact O-N 3.1Å; S316-E319 WeakPolarHBondContact OG-CB 3.37Å; S316-E319 PolarHBondContact OG-N 2.87Å; S316-E319 VanDerWaalsContact OG-N 3.12Å; S316-L320 PolarHBondContact O-N 2.81Å; S316-L320 VanDerWaalsContact O-N 3.16Å
317	A	96.3	Very high	95.5	Very high	9 Å²	9	53.7 Å²	53.7	7%	0.074	27%	0.271	C	S	.	.	H	α-helix	trans	-54.7	-37.2	174.5	0	0	0	0	0	112.6	P107 E139 L202 L320 V321	P107-A317 HydrophobicContact CB-CB 4.12Å; P107-A317 HydrophobicContact CG-CB 3.97Å; E139-A317 HydrophobicContact CG-CB 3.56Å; E139-A317 WeakPolarHBondContact OE1-CB 3.2Å; L202-A317 HydrophobicContact CD1-CB 3.91Å; A317-L320 PolarHBondContact O-N 2.97Å; A317-V321 WeakPolarHBondContact O-CB 3.49Å; A317-V321 VanDerWaalsContact O-CG2 3.31Å; A317-V321 WeakPolarHBondContact O-CG2 3.37Å; A317-V321 PolarHBondContact O-N 2.94Å
318	K	94.7	Very high	95.1	Very high	135 Å²	135	50.9 Å²	50.9	59%	0.587	26%	0.262	S	S	*	.	H	α-helix	trans	-58.1	-51	175	-176.7	174.4	-178.4	178.1	0	111.8	S316 L320 V321 E322	S316-K318 PolarHBondContact O-N 3.28Å; K318-L320 VanDerWaalsContact C-N 3.25Å; K318-L320 PolarHBondContact O-N 3.3Å; K318-V321 PolarHBondContact O-N 3.26Å; K318-E322 WeakPolarHBondContact CE-OE1 3.42Å; K318-E322 WeakPolarHBondContact CE-OE2 3.32Å; K318-E322 HydrophobicContact CG-CG 4.16Å; K318-E322 WeakPolarHBondContact CG-OE2 3.43Å; K318-E322 IonicContact NZ-OE1 3.39Å; K318-E322 WeakPolarHBondContact O-CB 3.44Å; K318-E322 WeakPolarHBondContact O-CG 3.43Å; K318-E322 PolarHBondContact O-N 3.05Å
319	E	96.3	Very high	94.6	Very high	68 Å²	68	55.2 Å²	55.2	32%	0.318	28%	0.277	S	S	.	.	H	α-helix	trans	-60.3	-33	178.5	-178.4	-175.8	173.9	0	0	112.9	V298 K315 S316 Q323	V298-E319 HydrophobicContact CG1-CG 4.34Å; K315-E319 WeakPolarHBondContact CE-OE1 3.34Å; K315-E319 IonicContact NZ-OE1 3.7Å; K315-E319 PolarHBondContact NZ-OE1 2.94Å; S316-E319 PolarHBondContact O-N 2.96Å; S316-E319 VanDerWaalsContact O-N 3.1Å; S316-E319 WeakPolarHBondContact OG-CB 3.37Å; S316-E319 PolarHBondContact OG-N 2.87Å; S316-E319 VanDerWaalsContact OG-N 3.12Å; E319-Q323 VanDerWaalsContact O-CG 3.31Å; E319-Q323 WeakPolarHBondContact O-CG 3.33Å; E319-Q323 PolarHBondContact O-NE2 3.34Å
320	L	96.8	Very high	94.3	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-74.6	-43.1	175.9	-65.6	175.7	0	0	0	112.7	F84 V201 L202 L294 V298 L312 K315 S316 A317 K318	F84-L320 HydrophobicContact CZ-CD1 4.1Å; V201-L320 HydrophobicContact CG1-CB 4.27Å; L202-L320 HydrophobicContact CD2-CD1 4.12Å; L294-L320 HydrophobicContact CD2-CD2 4.48Å; V298-L320 HydrophobicContact CG1-CD2 4.35Å; V298-L320 HydrophobicContact CG2-CD2 4.34Å; L312-L320 HydrophobicContact CD2-CD2 3.75Å; K315-L320 HydrophobicContact CB-CD1 4.29Å; K315-L320 HydrophobicContact CB-CD2 3.83Å; K315-L320 HydrophobicContact CB-CG 3.87Å; K315-L320 HydrophobicContact CG-CD2 4.1Å; S316-L320 PolarHBondContact O-N 2.81Å; S316-L320 VanDerWaalsContact O-N 3.16Å; A317-L320 PolarHBondContact O-N 2.97Å; K318-L320 VanDerWaalsContact C-N 3.25Å; K318-L320 PolarHBondContact O-N 3.3Å
321	V	93.9	Very high	94.1	Very high	20 Å²	20	55.1 Å²	55.1	12%	0.121	28%	0.275	C	S	.	.	H	α-helix	trans	-81.7	-25.2	-172.5	169.8	0	0	0	0	112.9	P107 Q108 N109 L202 A317 K318 Q323	P107-V321 HydrophobicContact CB-CG2 4.19Å; Q108-V321 VanDerWaalsContact C-CG1 3.49Å; N109-V321 HydrophobicContact CB-CG1 3.98Å; L202-V321 HydrophobicContact CD1-CG2 4.41Å; A317-V321 WeakPolarHBondContact O-CB 3.49Å; A317-V321 VanDerWaalsContact O-CG2 3.31Å; A317-V321 WeakPolarHBondContact O-CG2 3.37Å; A317-V321 PolarHBondContact O-N 2.94Å; K318-V321 PolarHBondContact O-N 3.26Å; V321-Q323 PolarHBondContact O-N 3.04Å
322	E	92.6	Very high	93.8	Very high	98 Å²	98	53.8 Å²	53.8	46%	0.458	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-0.2	174.9	-70.8	-177.3	148.7	0	0	113.7	K318	K318-E322 WeakPolarHBondContact CE-OE1 3.42Å; K318-E322 WeakPolarHBondContact CE-OE2 3.32Å; K318-E322 HydrophobicContact CG-CG 4.16Å; K318-E322 WeakPolarHBondContact CG-OE2 3.43Å; K318-E322 IonicContact NZ-OE1 3.39Å; K318-E322 WeakPolarHBondContact O-CB 3.44Å; K318-E322 WeakPolarHBondContact O-CG 3.43Å; K318-E322 PolarHBondContact O-N 3.05Å
323	Q	93.8	Very high	93.6	Very high	54 Å²	54	54.1 Å²	54.1	25%	0.252	27%	0.268	S	S	.	.	S	Bend	trans	-78.9	123.4	178.9	-58.3	-51.9	-40.4	0	0	112.6	L294 K297 V298 E319 V321 I325	L294-Q323 HydrophobicContact CD1-CB 3.7Å; L294-Q323 HydrophobicContact CD1-CG 3.66Å; K297-Q323 HydrophobicContact CB-CG 4.45Å; K297-Q323 HydrophobicContact CD-CB 4.43Å; V298-Q323 HydrophobicContact CG1-CG 3.8Å; E319-Q323 VanDerWaalsContact O-CG 3.31Å; E319-Q323 WeakPolarHBondContact O-CG 3.33Å; E319-Q323 PolarHBondContact O-NE2 3.34Å; V321-Q323 PolarHBondContact O-N 3.04Å; Q323-I325 HydrophobicContact CB-CD1 4.43Å; Q323-I325 HydrophobicContact CB-CG1 4.18Å; Q323-I325 PolarHBondContact O-N 2.87Å
324	D	90.8	Very high	93.6	Very high	78 Å²	78	52.5 Å²	52.5	42%	0.417	26%	0.262	S	S	.	.			trans	-71.3	91	174.5	178	39.1	0	0	0	111.6	K297 Q326	K297-D324 PolarHBondContact NZ-O 3.2Å; D324-Q326 WeakPolarHBondContact OD1-CG 3.46Å; D324-Q326 PolarHBondContact OD1-NE2 3.02Å
325	I	91.4	Very high	93.6	Very high	14 Å²	14	44.6 Å²	44.6	7%	0.072	23%	0.225	C	C	.	.			trans	-108.9	90.8	178.8	-56.2	-64.1	0	0	0	109	Y290 L293 L294 K297 Q323 P327 A333 F334	Y290-I325 HydrophobicContact CD1-CG2 3.92Å; Y290-I325 HydrophobicContact CG-CG2 4.47Å; L293-I325 HydrophobicContact CB-CD1 4.41Å; L293-I325 HydrophobicContact CD2-CD1 4.17Å; L293-I325 HydrophobicContact CD2-CG2 4.36Å; L293-I325 HydrophobicContact CG-CD1 3.87Å; L294-I325 HydrophobicContact CB-CD1 4.21Å; L294-I325 HydrophobicContact CB-CG1 4.44Å; L294-I325 HydrophobicContact CD1-CD1 4.49Å; L294-I325 HydrophobicContact CD1-CG1 4.3Å; K297-I325 HydrophobicContact CD-CD1 3.96Å; Q323-I325 HydrophobicContact CB-CD1 4.43Å; Q323-I325 HydrophobicContact CB-CG1 4.18Å; Q323-I325 PolarHBondContact O-N 2.87Å; I325-P327 WeakPolarHBondContact O-CD 3.32Å; I325-A333 HydrophobicContact CG2-CB 3.96Å; I325-F334 HydrophobicContact CB-CE2 3.95Å; I325-F334 HydrophobicContact CG1-CE2 4.08Å; I325-F334 HydrophobicContact CG2-CE2 3.8Å; I325-F334 HydrophobicContact CG2-CZ 4.24Å
326	Q	88.3	Confident	93.6	Very high	102 Å²	102	42.5 Å²	42.5	48%	0.477	22%	0.216	S	C	.	.			trans	-79.1	122.1	-178	-67.1	-61.5	-38.7	0	0	111.9	D324	D324-Q326 WeakPolarHBondContact OD1-CG 3.46Å; D324-Q326 PolarHBondContact OD1-NE2 3.02Å
327	P	89.9	Confident	93.6	Very high	38 Å²	38	39.7 Å²	39.7	25%	0.247	20%	0.197	C	C	.	.			trans	-74.7	174.8	172.1	31.1	-33.3	0	0	0	112.1	Y290 I325 H331 A333	Y290-P327 HydrophobicContact CE1-CB 4.41Å; I325-P327 WeakPolarHBondContact O-CD 3.32Å; P327-H331 WeakPolarHBondContact CB-O 3.4Å; P327-H331 WeakPolarHBondContact CG-O 3.34Å; P327-A333 HydrophobicContact CB-CB 4.02Å; P327-A333 HydrophobicContact CG-CB 4.39Å
328	A	89.4	Confident	93.7	Very high	41 Å²	41	42.4 Å²	42.4	34%	0.339	21%	0.209	S	C	.	.	S	Bend	trans	-58.8	145	157.8	0	0	0	0	0	109.6	Y290 Y330 H331	Y290-A328 PolarHBondContact OH-N 3.28Å; A328-Y330 PolarHBondContact O-N 3.28Å; A328-H331 HydrophobicContact CB-CB 4.34Å; A328-H331 WeakPolarHBondContact O-CB 3.39Å; A328-H331 PolarHBondContact O-N 2.89Å; A328-H331 VanDerWaalsContact O-N 3.07Å
329	R	88.8	Confident	93.9	Very high	101 Å²	101	37.5 Å²	37.5	38%	0.381	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	141.5	-179.2	-159.8	-178.8	-177.2	-173.5	-2.1	109.8	H331 N395 N399	R329-H331 PolarHBondContact O-N 2.93Å; R329-H331 PolarHBondContact O-ND1 3.05Å; R329-N395 PolarHBondContact NH1-ND2 3.07Å; R329-N395 PolarHBondContact NH1-OD1 3.17Å; R329-N399 HydrophobicContact CB-CB 4Å; R329-N399 VanDerWaalsContact CB-OD1 3.28Å; R329-N399 WeakPolarHBondContact CB-OD1 3.44Å
330	Y	91.8	Very high	93.9	Very high	3 Å²	3	36.9 Å²	36.9	1%	0.012	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	11	-175.9	-37.7	-58.7	0	0	0	115.8	V117 S280 W281 A328 F373 F396 N399 L400 F438	V117-Y330 HydrophobicContact CG2-CD1 4.33Å; V117-Y330 HydrophobicContact CG2-CE1 4.4Å; S280-Y330 CarbonylContact C-O 3.34Å; S280-Y330 WeakPolarHBondContact CB-O 3.39Å; S280-Y330 PolarHBondContact OG-O 3.02Å; W281-Y330 PolarHBondContact N-O 3.42Å; A328-Y330 PolarHBondContact O-N 3.28Å; Y330-F373 WeakPolarHBondContact OH-CE2 3.35Å; Y330-F396 HydrophobicContact CE2-CD2 4.31Å; Y330-N399 HydrophobicContact CD2-CB 3.74Å; Y330-N399 HydrophobicContact CE2-CB 3.74Å; Y330-L400 HydrophobicContact CD2-CD1 4.25Å; Y330-L400 HydrophobicContact CD2-CD2 4.27Å; Y330-L400 HydrophobicContact CD2-CG 3.93Å; Y330-F438 AromaticContact CD1-CE2 3.56Å; Y330-F438 HydrophobicContact CD1-CE2 3.56Å; Y330-F438 AromaticContact CD1-CZ 3.54Å; Y330-F438 HydrophobicContact CD1-CZ 3.54Å; Y330-F438 HydrophobicContact CE1-CD2 4.47Å; Y330-F438 AromaticContact CE1-CE2 3.32Å; Y330-F438 HydrophobicContact CE1-CE2 3.32Å; Y330-F438 AromaticContact CE1-CZ 3.52Å; Y330-F438 HydrophobicContact CE1-CZ 3.52Å; Y330-F438 HydrophobicContact CE2-CE2 4.49Å; Y330-F438 HydrophobicContact CG-CE2 4.25Å; Y330-F438 HydrophobicContact CG-CZ 4.49Å; Y330-F438 AromaticContact CZ-CE2 3.83Å
331	H	92.9	Very high	93.9	Very high	54 Å²	54	39.2 Å²	39.2	25%	0.25	21%	0.214	C	C	.	.	S	Bend	trans	-121.3	168.5	173.1	-58.8	80.6	0	0	0	110.1	S280 P327 A328 R329 N399	S280-H331 PolarHBondContact O-CD2 3.23Å; P327-H331 WeakPolarHBondContact CB-O 3.4Å; P327-H331 WeakPolarHBondContact CG-O 3.34Å; A328-H331 HydrophobicContact CB-CB 4.34Å; A328-H331 WeakPolarHBondContact O-CB 3.39Å; A328-H331 PolarHBondContact O-N 2.89Å; A328-H331 VanDerWaalsContact O-N 3.07Å; R329-H331 PolarHBondContact O-N 2.93Å; R329-H331 PolarHBondContact O-ND1 3.05Å; H331-N399 PolarHBondContact CE1-O 2.69Å
332	V	93.1	Very high	94.1	Very high	6 Å²	6	38.4 Å²	38.4	4%	0.036	21%	0.209	C	C	.	.			trans	-112.5	143.7	-179.5	-68.3	0	0	0	0	111.9	M118 Y171 W281 N284	M118-V332 HydrophobicContact SD-CG1 4.31Å; Y171-V332 HydrophobicContact CD2-CG1 4.16Å; Y171-V332 HydrophobicContact CD2-CG2 4.41Å; W281-V332 HydrophobicContact CB-CG1 4.03Å; W281-V332 VanDerWaalsContact O-CG1 3.31Å; W281-V332 WeakPolarHBondContact O-CG1 3.38Å; W281-V332 WeakPolarHBondContact O-CG2 3.28Å; N284-V332 HydrophobicContact CB-CG2 4.27Å
333	A	94.1	Very high	94.4	Very high	7 Å²	7	33.8 Å²	33.8	6%	0.058	19%	0.187	C	C	.	.	S	Bend	trans	-86.8	-38.2	179.8	0	0	0	0	0	112.7	N284 Y290 I325 P327	N284-A333 PolarHBondContact ND2-O 2.88Å; Y290-A333 WeakPolarHBondContact CB-O 3.28Å; Y290-A333 HydrophobicContact CD1-CB 3.92Å; Y290-A333 HydrophobicContact CD2-CB 4.22Å; Y290-A333 WeakPolarHBondContact CD2-O 3.23Å; Y290-A333 HydrophobicContact CE1-CB 4.32Å; Y290-A333 HydrophobicContact CG-CB 3.89Å; I325-A333 HydrophobicContact CG2-CB 3.96Å; P327-A333 HydrophobicContact CB-CB 4.02Å; P327-A333 HydrophobicContact CG-CB 4.39Å
334	F	97.1	Very high	94.6	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.009	19%	0.192	C	C	.	.	S	Bend	trans	-132.6	105.1	174.6	-59.5	-74.2	0	0	0	108	M172 V201 F204 L294 I325	M172-F334 HydrophobicContact CE-CD2 4.18Å; M172-F334 HydrophobicContact SD-CB 3.95Å; M172-F334 HydrophobicContact SD-CD2 4.15Å; V201-F334 HydrophobicContact CG2-CD2 3.85Å; V201-F334 HydrophobicContact CG2-CE1 4.45Å; V201-F334 HydrophobicContact CG2-CE2 3.71Å; V201-F334 HydrophobicContact CG2-CG 4.29Å; V201-F334 HydrophobicContact CG2-CZ 4.04Å; F204-F334 HydrophobicContact CB-CB 4.13Å; L294-F334 HydrophobicContact CB-CZ 4.11Å; L294-F334 HydrophobicContact CD2-CE1 4.49Å; L294-F334 HydrophobicContact CD2-CZ 4.04Å; I325-F334 HydrophobicContact CB-CE2 3.95Å; I325-F334 HydrophobicContact CG1-CE2 4.08Å; I325-F334 HydrophobicContact CG2-CE2 3.8Å; I325-F334 HydrophobicContact CG2-CZ 4.24Å
335	G	97.1	Very high	94.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.19	C	C	.	.	S	Bend	trans	-159.5	-175.7	178.7	0	0	0	0	0	109
336	P	98.6	Very high	95.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.197	C	C	.	.			trans	-49.8	144.9	178.7	-30.6	38.1	0	0	0	113.5	Y171 F204 N215 L218 L256 V283 N284	Y171-P336 HydrophobicContact CD1-CG 4.37Å; Y171-P336 HydrophobicContact CE1-CG 3.61Å; Y171-P336 VanDerWaalsContact CE2-CD 3.47Å; Y171-P336 HydrophobicContact CE2-CG 4.33Å; F204-P336 HydrophobicContact CD1-CG 4.39Å; F204-P336 HydrophobicContact CE1-CG 3.97Å; N215-P336 VanDerWaalsContact OD1-CA 3.32Å; N215-P336 WeakPolarHBondContact OD1-CA 3.46Å; L218-P336 HydrophobicContact CD1-CB 4Å; L218-P336 HydrophobicContact CD1-CG 4.09Å; L218-P336 HydrophobicContact CD2-CG 4.43Å; L218-P336 HydrophobicContact CG-CG 4.33Å; L256-P336 HydrophobicContact CD1-CB 3.67Å; L256-P336 HydrophobicContact CD1-CG 3.58Å; V283-P336 CarbonylContact C-O 3.52Å; V283-P336 WeakPolarHBondContact CA-O 3.32Å; N284-P336 PolarHBondContact N-O 3Å
337	V	98.7	Very high	95.7	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.018	17%	0.174	C	C	.	.			trans	-128.5	153	179.7	-63.5	0	0	0	0	110	K213 N215 N284 P287 D339	K213-V337 WeakPolarHBondContact O-CG2 3.4Å; N215-V337 PolarHBondContact ND2-O 3.27Å; N215-V337 PolarHBondContact OD1-N 2.9Å; N215-V337 PolarHBondContact OD1-O 2.95Å; N284-V337 HydrophobicContact CB-CG1 4.18Å; P287-V337 HydrophobicContact CB-CG1 3.82Å; P287-V337 HydrophobicContact CG-CG1 3.94Å; V337-D339 HydrophobicContact CG2-CB 4.29Å; V337-D339 PolarHBondContact O-N 3.34Å
338	I	98.6	Very high	95.9	Very high	65 Å²	65	32.9 Å²	32.9	33%	0.333	19%	0.185	S	C	.	.			trans	-76.9	100.4	167.4	-57	166.7	0	0	0	106.7	V283 Y285 I343 D346	V283-I338 HydrophobicContact CG1-CG1 4.27Å; Y285-I338 HydrophobicContact CD1-CD1 4.24Å; Y285-I338 HydrophobicContact CE1-CD1 3.69Å; I338-I343 HydrophobicContact CG1-CG2 4.23Å; I338-D346 HydrophobicContact CD1-CB 4.19Å
339	D	97.6	Very high	96.2	Very high	33 Å²	33	34.1 Å²	34.1	18%	0.176	19%	0.185	C	C	.	.			trans	-100.3	-5.7	-176.7	62.8	-5.6	0	0	0	113.3	N215 V337 D341 V342 I343	N215-D339 PolarHBondContact ND2-OD1 3.21Å; N215-D339 PolarHBondContact ND2-OD2 2.98Å; V337-D339 HydrophobicContact CG2-CB 4.29Å; V337-D339 PolarHBondContact O-N 3.34Å; D339-D341 VanDerWaalsContact C-N 3.26Å; D339-D341 PolarHBondContact O-N 3.11Å; D339-D341 PolarHBondContact OD1-N 2.88Å; D339-V342 PolarHBondContact OD1-N 3.19Å; D339-V342 WeakPolarHBondContact OD2-CB 3.31Å; D339-V342 WeakPolarHBondContact OD2-CG2 3.33Å; D339-V342 PolarHBondContact OD2-N 3.36Å; D339-I343 PolarHBondContact N-O 3.07Å; D339-I343 PolarHBondContact OD1-N 3.36Å
340	G	97.4	Very high	96.6	Very high	55 Å²	55	29.5 Å²	29.5	57%	0.567	17%	0.168	S	C	*	.	S	Bend	trans	74.6	14.4	-175.7	0	0	0	0	0	113.8	I343	G340-I343 PolarHBondContact N-O 3.11Å; G340-I343 VanDerWaalsContact N-O 3.14Å
341	D	96.8	Very high	96.8	Very high	49 Å²	49	29.4 Å²	29.4	26%	0.262	17%	0.168	S	C	.	.	S	Bend	trans	-141.6	-76.7	-173.4	-171.9	-8.4	0	0	0	110.5	K213 H261 H262 D339	K213-D341 IonicContact NZ-OD2 3.2Å; K213-D341 PolarHBondContact NZ-OD2 2.95Å; H261-D341 PolarHBondContact CE1-O 2.03Å; H261-D341 IonicContact CE1-OD1 2.71Å; H261-D341 PolarHBondContact ND1-O 3.37Å; H261-D341 VanDerWaalsContact ND1-O 3.15Å; H262-D341 IonicContact CD2-OD1 3.58Å; H262-D341 IonicContact CE1-OD1 2.73Å; H262-D341 IonicContact NE2-OD1 3.62Å; H262-D341 PolarHBondContact NE2-OD1 3.49Å; D339-D341 VanDerWaalsContact C-N 3.26Å; D339-D341 PolarHBondContact O-N 3.11Å; D339-D341 PolarHBondContact OD1-N 2.88Å
342	V	97.6	Very high	96.9	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.024	18%	0.179	C	C	.	.	S	Bend	trans	-67.2	-44.1	175.5	-176.7	0	0	0	0	110.3	N215 L218 L219 I222 S260 D339	N215-V342 HydrophobicContact CB-CB 4.1Å; N215-V342 HydrophobicContact CB-CG1 4.23Å; N215-V342 HydrophobicContact CB-CG2 4.19Å; L218-V342 HydrophobicContact CB-CG1 4.28Å; L218-V342 HydrophobicContact CD1-CG1 4.33Å; L219-V342 HydrophobicContact CD1-CG2 4.12Å; L219-V342 HydrophobicContact CD2-CG2 3.69Å; L219-V342 HydrophobicContact CG-CG2 3.89Å; I222-V342 HydrophobicContact CD1-CG1 4.23Å; S260-V342 WeakPolarHBondContact CB-O 3.42Å; S260-V342 PolarHBondContact OG-O 3.38Å; D339-V342 PolarHBondContact OD1-N 3.19Å; D339-V342 WeakPolarHBondContact OD2-CB 3.31Å; D339-V342 WeakPolarHBondContact OD2-CG2 3.33Å; D339-V342 PolarHBondContact OD2-N 3.36Å
343	I	98.3	Very high	96.8	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	20%	0.203	C	C	.	.	S	Bend	trans	-119.5	98	172	-55.5	-59.6	0	0	0	106.7	L218 L256 I338 D339 G340 D345 L350	L218-I343 HydrophobicContact CD1-CD1 4.19Å; L218-I343 HydrophobicContact CD1-CG1 4.22Å; L256-I343 HydrophobicContact CB-CD1 4.04Å; L256-I343 HydrophobicContact CD2-CD1 3.86Å; L256-I343 HydrophobicContact CD2-CG1 4.45Å; I338-I343 HydrophobicContact CG1-CG2 4.23Å; D339-I343 PolarHBondContact N-O 3.07Å; D339-I343 PolarHBondContact OD1-N 3.36Å; G340-I343 PolarHBondContact N-O 3.11Å; G340-I343 VanDerWaalsContact N-O 3.14Å; I343-D345 WeakPolarHBondContact CG2-O 3.46Å; I343-D345 PolarHBondContact O-N 3.16Å; I343-L350 HydrophobicContact CG2-CD1 4.34Å
344	P	97.4	Very high	96.7	Very high	54 Å²	54	37.1 Å²	37.1	35%	0.351	21%	0.206	S	C	.	.			trans	-66.6	-33.7	-169.6	-25.7	35.4	0	0	0	115.5	L350	P344-L350 HydrophobicContact CB-CD2 4.32Å
345	D	98.1	Very high	96.3	Very high	69 Å²	69	41.4 Å²	41.4	37%	0.369	23%	0.226	S	C	.	.	S	Bend	trans	-152.3	-175.3	-176.9	-151.9	-19.7	0	0	0	109.3	I343 I349 L350	I343-D345 WeakPolarHBondContact CG2-O 3.46Å; I343-D345 PolarHBondContact O-N 3.16Å; D345-I349 HydrophobicContact CB-CG2 4.5Å; D345-L350 HydrophobicContact CB-CD2 3.96Å; D345-L350 HydrophobicContact CB-CG 4.25Å; D345-L350 WeakPolarHBondContact O-CD1 3.1Å
346	D	97.9	Very high	96	Very high	41 Å²	41	41.4 Å²	41.4	22%	0.219	23%	0.226	C	C	.	.			trans	-55.7	133	174.9	-166.3	-68.9	0	0	0	111.9	Y285 I338 E348 I349 L350	Y285-D346 PolarHBondContact OH-OD2 3.31Å; I338-D346 HydrophobicContact CD1-CB 4.19Å; D346-E348 PolarHBondContact O-N 3.41Å; D346-E348 VanDerWaalsContact O-N 3.14Å; D346-E348 PolarHBondContact OD1-N 2.76Å; D346-I349 HydrophobicContact CB-CB 4.31Å; D346-I349 HydrophobicContact CB-CD1 3.91Å; D346-I349 HydrophobicContact CB-CG1 4.06Å; D346-I349 WeakPolarHBondContact O-CB 3.26Å; D346-I349 PolarHBondContact O-N 3.46Å; D346-L350 WeakPolarHBondContact O-CG 3.25Å; D346-L350 PolarHBondContact O-N 3Å
347	P	97.7	Very high	95.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-54.6	-31.3	179.5	-28.1	35.9	0	0	0	115.3	L256 L259 A277 L278 V283 M351	L256-P347 HydrophobicContact CD2-CG 3.91Å; L259-P347 HydrophobicContact CD1-CB 3.87Å; A277-P347 HydrophobicContact CB-CB 3.73Å; A277-P347 HydrophobicContact CB-CG 4.22Å; L278-P347 HydrophobicContact CD2-CB 4.11Å; V283-P347 HydrophobicContact CG2-CG 3.92Å; P347-M351 VanDerWaalsContact O-CG 3.3Å; P347-M351 WeakPolarHBondContact O-CG 3.44Å; P347-M351 PolarHBondContact O-N 3.12Å
348	E	95	Very high	94.7	Very high	103 Å²	103	49.4 Å²	49.4	48%	0.481	27%	0.268	S	S	.	.	H	α-helix	trans	-65.5	-46.3	175	-169.8	170.4	-161.2	0	0	110.5	L278 D346 L350 M351 E352	L278-E348 HydrophobicContact CD2-CB 3.86Å; D346-E348 PolarHBondContact O-N 3.41Å; D346-E348 VanDerWaalsContact O-N 3.14Å; D346-E348 PolarHBondContact OD1-N 2.76Å; E348-L350 PolarHBondContact O-N 2.82Å; E348-M351 PolarHBondContact O-N 3.15Å; E348-E352 WeakPolarHBondContact O-CG 3.27Å; E348-E352 PolarHBondContact O-N 3.06Å
349	I	96.6	Very high	94.7	Very high	66 Å²	66	46.8 Å²	46.8	34%	0.338	25%	0.254	S	S	.	.	H	α-helix	trans	-60.5	-44.3	177.7	-64.4	176.2	0	0	0	110.9	D345 D346 M351 E352 Q353	D345-I349 HydrophobicContact CB-CG2 4.5Å; D346-I349 HydrophobicContact CB-CB 4.31Å; D346-I349 HydrophobicContact CB-CD1 3.91Å; D346-I349 HydrophobicContact CB-CG1 4.06Å; D346-I349 WeakPolarHBondContact O-CB 3.26Å; D346-I349 PolarHBondContact O-N 3.46Å; I349-M351 PolarHBondContact O-N 3.21Å; I349-E352 PolarHBondContact O-N 2.75Å; I349-Q353 WeakPolarHBondContact O-CB 3.17Å; I349-Q353 VanDerWaalsContact O-CG 3.27Å; I349-Q353 WeakPolarHBondContact O-CG 3.41Å; I349-Q353 PolarHBondContact O-N 3Å
350	L	96.2	Very high	94.7	Very high	5 Å²	5	46.7 Å²	46.7	3%	0.026	25%	0.254	C	S	.	.	H	α-helix	trans	-64.9	-37	178	-62.1	175.8	0	0	0	112.4	L259 I343 P344 D345 D346 E348 G354 E355	L259-L350 HydrophobicContact CB-CB 4.38Å; L259-L350 HydrophobicContact CB-CD1 4.09Å; L259-L350 HydrophobicContact CD1-CB 4.48Å; L259-L350 HydrophobicContact CD2-CB 3.88Å; L259-L350 HydrophobicContact CG-CB 4.48Å; I343-L350 HydrophobicContact CG2-CD1 4.34Å; P344-L350 HydrophobicContact CB-CD2 4.32Å; D345-L350 HydrophobicContact CB-CD2 3.96Å; D345-L350 HydrophobicContact CB-CG 4.25Å; D345-L350 WeakPolarHBondContact O-CD1 3.1Å; D346-L350 WeakPolarHBondContact O-CG 3.25Å; D346-L350 PolarHBondContact O-N 3Å; E348-L350 PolarHBondContact O-N 2.82Å; L350-G354 PolarHBondContact O-N 2.78Å; L350-G354 VanDerWaalsContact O-N 3.1Å; L350-E355 HydrophobicContact CD2-CG 4.34Å; L350-E355 PolarHBondContact O-N 3.45Å
351	M	95.7	Very high	94.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-69.7	-36.3	174.1	-72.6	-171.6	-162.6	0	0	112.6	L259 A277 L278 P347 E348 I349 G354 F356 T450 L453	L259-M351 HydrophobicContact CD1-CE 3.93Å; L259-M351 HydrophobicContact CD1-CG 4.15Å; L259-M351 HydrophobicContact CD2-CG 3.72Å; A277-M351 HydrophobicContact CB-CE 4.02Å; L278-M351 HydrophobicContact CD1-CE 4.41Å; L278-M351 HydrophobicContact CD1-SD 4Å; L278-M351 HydrophobicContact CD2-CE 4.12Å; L278-M351 HydrophobicContact CD2-SD 4.2Å; L278-M351 HydrophobicContact CG-CE 4.01Å; L278-M351 HydrophobicContact CG-SD 4.18Å; P347-M351 VanDerWaalsContact O-CG 3.3Å; P347-M351 WeakPolarHBondContact O-CG 3.44Å; P347-M351 PolarHBondContact O-N 3.12Å; E348-M351 PolarHBondContact O-N 3.15Å; I349-M351 PolarHBondContact O-N 3.21Å; M351-G354 PolarHBondContact O-N 3.1Å; M351-F356 HydrophobicContact CB-CE1 4Å; M351-F356 HydrophobicContact CB-CE2 4.26Å; M351-F356 HydrophobicContact CB-CZ 3.74Å; M351-F356 HydrophobicContact CE-CE2 4.4Å; M351-F356 HydrophobicContact CG-CD2 4.08Å; M351-F356 HydrophobicContact CG-CE1 4.15Å; M351-F356 HydrophobicContact CG-CE2 3.61Å; M351-F356 HydrophobicContact CG-CZ 3.63Å; M351-F356 WeakPolarHBondContact O-CE1 3.31Å; M351-F356 HydrophobicContact SD-CE2 3.76Å; M351-F356 HydrophobicContact SD-CZ 4.04Å; M351-T450 HydrophobicContact CE-CG2 3.99Å; M351-T450 HydrophobicContact SD-CG2 4.08Å; M351-L453 HydrophobicContact CB-CB 4.26Å; M351-L453 HydrophobicContact CB-CD1 3.59Å; M351-L453 HydrophobicContact SD-CD1 4.26Å
352	E	94.4	Very high	94.9	Very high	102 Å²	102	41.8 Å²	41.8	48%	0.477	21%	0.214	S	C	.	.	H	α-helix	trans	-66.2	-40.3	174.7	-71.4	-154.1	128.9	0	0	112.3	E348 I349 G354 L453 Y457	E348-E352 WeakPolarHBondContact O-CG 3.27Å; E348-E352 PolarHBondContact O-N 3.06Å; I349-E352 PolarHBondContact O-N 2.75Å; E352-G354 VanDerWaalsContact C-N 3.29Å; E352-G354 PolarHBondContact O-N 2.99Å; E352-L453 HydrophobicContact CG-CD2 4.11Å; E352-Y457 PolarHBondContact O-OH 3.44Å
353	Q	92.9	Very high	94.9	Very high	116 Å²	116	41.6 Å²	41.6	54%	0.542	21%	0.213	S	C	.	.	H	α-helix	trans	-66.6	-28.7	175.6	-70.9	173.7	14.7	0	0	112.9	I349	I349-Q353 WeakPolarHBondContact O-CB 3.17Å; I349-Q353 VanDerWaalsContact O-CG 3.27Å; I349-Q353 WeakPolarHBondContact O-CG 3.41Å; I349-Q353 PolarHBondContact O-N 3Å
354	G	91.7	Very high	94.9	Very high	12 Å²	12	41.6 Å²	41.6	12%	0.124	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.1	23.7	173.2	0	0	0	0	0	115.2	L350 M351 E352 F356 L357	L350-G354 PolarHBondContact O-N 2.78Å; L350-G354 VanDerWaalsContact O-N 3.1Å; M351-G354 PolarHBondContact O-N 3.1Å; E352-G354 VanDerWaalsContact C-N 3.29Å; E352-G354 PolarHBondContact O-N 2.99Å; G354-F356 PolarHBondContact O-N 3.21Å; G354-L357 WeakPolarHBondContact O-CB 3.29Å; G354-L357 WeakPolarHBondContact O-CD1 3.44Å; G354-L357 WeakPolarHBondContact O-CG 3.42Å; G354-L357 PolarHBondContact O-N 3.42Å
355	E	88.4	Confident	95	Very high	91 Å²	91	39 Å²	39	43%	0.425	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-57.9	-36.1	-179.7	-62.8	-57.8	130.5	0	0	112.6	L350 L357	L350-E355 HydrophobicContact CD2-CG 4.34Å; L350-E355 PolarHBondContact O-N 3.45Å; E355-L357 PolarHBondContact O-N 3.42Å
356	F	89.6	Confident	95	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-81.6	7.3	179.3	71.6	-20.4	0	0	0	117	T258 L259 M351 G354 N358 Y359 I361 T450 L453 H454	T258-F356 VanDerWaalsContact O-CA 3.29Å; T258-F356 WeakPolarHBondContact O-CA 3.37Å; T258-F356 WeakPolarHBondContact O-CB 3.27Å; L259-F356 HydrophobicContact CD2-CB 3.8Å; L259-F356 HydrophobicContact CD2-CD1 4.48Å; L259-F356 HydrophobicContact CD2-CD2 4.24Å; L259-F356 HydrophobicContact CD2-CG 3.94Å; M351-F356 HydrophobicContact CB-CE1 4Å; M351-F356 HydrophobicContact CB-CE2 4.26Å; M351-F356 HydrophobicContact CB-CZ 3.74Å; M351-F356 HydrophobicContact CE-CE2 4.4Å; M351-F356 HydrophobicContact CG-CD2 4.08Å; M351-F356 HydrophobicContact CG-CE1 4.15Å; M351-F356 HydrophobicContact CG-CE2 3.61Å; M351-F356 HydrophobicContact CG-CZ 3.63Å; M351-F356 WeakPolarHBondContact O-CE1 3.31Å; M351-F356 HydrophobicContact SD-CE2 3.76Å; M351-F356 HydrophobicContact SD-CZ 4.04Å; G354-F356 PolarHBondContact O-N 3.21Å; F356-N358 PolarHBondContact O-N 3.3Å; F356-Y359 WeakPolarHBondContact O-CD2 3.14Å; F356-I361 HydrophobicContact CD2-CD1 4.25Å; F356-T450 HydrophobicContact CE2-CG2 4.21Å; F356-L453 HydrophobicContact CE1-CB 4.44Å; F356-L453 HydrophobicContact CZ-CB 3.84Å; F356-H454 HydrophobicContact CE1-CB 4.35Å; F356-H454 HydrophobicContact CE2-CB 3.86Å; F356-H454 HydrophobicContact CZ-CB 3.74Å; F356-H454 PolarHBondContact O-NE2 3.39Å
357	L	84.8	Confident	95	Very high	39 Å²	39	35 Å²	35	20%	0.204	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-74.4	-8.8	-171.2	-65.8	175.1	0	0	0	115.3	G354 E355 Y359 Y457 S459	G354-L357 WeakPolarHBondContact O-CB 3.29Å; G354-L357 WeakPolarHBondContact O-CD1 3.44Å; G354-L357 WeakPolarHBondContact O-CG 3.42Å; G354-L357 PolarHBondContact O-N 3.42Å; E355-L357 PolarHBondContact O-N 3.42Å; L357-Y359 VanDerWaalsContact C-N 3.27Å; L357-Y359 PolarHBondContact O-N 2.97Å; L357-Y457 HydrophobicContact CD1-CD1 4.17Å; L357-Y457 HydrophobicContact CD1-CD2 3.52Å; L357-Y457 HydrophobicContact CD1-CE2 4.15Å; L357-Y457 HydrophobicContact CD1-CG 3.48Å; L357-Y457 VanDerWaalsContact CD1-CG 3.48Å; L357-Y457 HydrophobicContact CD2-CD2 3.72Å; L357-Y457 HydrophobicContact CD2-CG 4.17Å; L357-Y457 HydrophobicContact CG-CD2 4.2Å; L357-Y457 HydrophobicContact CG-CG 4.46Å; L357-S459 PolarHBondContact O-OG 2.61Å
358	N	86.9	Confident	94.9	Very high	132 Å²	132	35.1 Å²	35.1	71%	0.706	18%	0.175	S	C	*	.	G	3₁₀ helix	trans	-78.1	-3.2	-177	-70.5	-40.9	0	0	0	114.7	F356	F356-N358 PolarHBondContact O-N 3.3Å
359	Y	96.8	Very high	95	Very high	11 Å²	11	30.3 Å²	30.3	4%	0.043	15%	0.153	C	C	.	.	S	Bend	trans	-110.2	150.7	-172	-53.7	-75.4	0	0	0	112.2	T258 F267 Q268 F356 L357 H454	T258-Y359 HydrophobicContact CG2-CD2 3.79Å; T258-Y359 HydrophobicContact CG2-CE2 4.08Å; T258-Y359 HydrophobicContact CG2-CG 4.2Å; T258-Y359 WeakPolarHBondContact O-CE2 3.35Å; F267-Y359 AromaticContact CD2-CD1 3.8Å; F267-Y359 HydrophobicContact CD2-CD1 3.8Å; F267-Y359 AromaticContact CD2-CE1 3.74Å; F267-Y359 HydrophobicContact CD2-CE1 3.74Å; F267-Y359 HydrophobicContact CE1-CE1 4.47Å; F267-Y359 AromaticContact CE2-CD1 3.58Å; F267-Y359 HydrophobicContact CE2-CD1 3.58Å; F267-Y359 AromaticContact CE2-CE1 3.46Å; F267-Y359 HydrophobicContact CE2-CE1 3.46Å; F267-Y359 VanDerWaalsContact CE2-CE1 3.46Å; F267-Y359 HydrophobicContact CE2-CG 4.26Å; F267-Y359 HydrophobicContact CG-CE1 4.35Å; F267-Y359 HydrophobicContact CZ-CD1 4.4Å; F267-Y359 AromaticContact CZ-CE1 3.87Å; F267-Y359 HydrophobicContact CZ-CE1 3.87Å; Q268-Y359 WeakPolarHBondContact O-CA 3.4Å; F356-Y359 WeakPolarHBondContact O-CD2 3.14Å; L357-Y359 VanDerWaalsContact C-N 3.27Å; L357-Y359 PolarHBondContact O-N 2.97Å; Y359-H454 PolarHBondContact O-CE1 2.95Å; Y359-H454 PolarHBondContact O-NE2 2.93Å; Y359-H454 VanDerWaalsContact O-NE2 3.11Å
360	D	98.4	Very high	94.9	Very high	30 Å²	30	27.3 Å²	27.3	16%	0.16	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	132.6	156.8	-57.3	-49.3	0	0	0	107.5	Q268 R269 A270 P460 F524 G528	Q268-D360 PolarHBondContact O-N 3.39Å; R269-D360 CarbonylContact C-O 3.54Å; R269-D360 VanDerWaalsContact CA-O 3.26Å; R269-D360 WeakPolarHBondContact CA-O 3.33Å; R269-D360 HydrophobicContact CB-CB 4.33Å; R269-D360 HydrophobicContact CG-CB 3.9Å; R269-D360 IonicContact CZ-OD2 3.51Å; R269-D360 IonicContact NE-OD2 2.65Å; R269-D360 PolarHBondContact NE-OD2 3.2Å; R269-D360 IonicContact NH2-OD2 2.71Å; R269-D360 PolarHBondContact NH2-OD2 2.89Å; A270-D360 PolarHBondContact N-O 2.96Å; D360-P460 HydrophobicContact CB-CB 4.48Å; D360-P460 WeakPolarHBondContact OD1-CB 3.43Å; D360-P460 WeakPolarHBondContact OD1-CG 3.33Å; D360-F524 HydrophobicContact CB-CE2 3.86Å; D360-F524 HydrophobicContact CB-CZ 3.7Å; D360-F524 WeakPolarHBondContact O-CZ 3.3Å; D360-G528 VanDerWaalsContact OD2-CA 3.3Å; D360-G528 WeakPolarHBondContact OD2-CA 3.44Å
361	I	98.7	Very high	94.9	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	128.2	178.9	-56.5	-170.8	0	0	0	112.2	A270 I272 F356 L363 H454 P460 T461 Y462	A270-I361 HydrophobicContact CB-CG1 4.23Å; A270-I361 WeakPolarHBondContact O-CA 3.43Å; I272-I361 HydrophobicContact CD1-CG2 3.94Å; I272-I361 HydrophobicContact CG1-CG2 4.41Å; F356-I361 HydrophobicContact CD2-CD1 4.25Å; I361-L363 HydrophobicContact CG2-CB 4.38Å; I361-L363 HydrophobicContact CG2-CD2 4.12Å; I361-H454 VanDerWaalsContact CD1-CD2 3.46Å; I361-H454 WeakPolarHBondContact CD1-CD2 3.4Å; I361-P460 PolarHBondContact N-O 2.95Å; I361-T461 CarbonylContact O-C 3.52Å; I361-T461 VanDerWaalsContact O-CA 3.29Å; I361-T461 WeakPolarHBondContact O-CA 3.42Å; I361-Y462 PolarHBondContact O-N 3.25Å
362	M	98.9	Very high	94.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	134.2	161.2	178.2	-170.8	-67.5	0	0	108.5	A270 I271 I272 Y462 Y464 W521 F524 P530 W553	A270-M362 PolarHBondContact O-N 3.47Å; I271-M362 CarbonylContact C-O 3.6Å; I271-M362 VanDerWaalsContact CA-O 3.26Å; I271-M362 WeakPolarHBondContact CA-O 3.15Å; I271-M362 HydrophobicContact CB-CB 4.48Å; I271-M362 HydrophobicContact CD1-SD 4.38Å; I271-M362 HydrophobicContact CG1-CB 4.23Å; I271-M362 HydrophobicContact CG1-SD 4.5Å; I271-M362 HydrophobicContact CG2-CB 4.07Å; I271-M362 HydrophobicContact CG2-CG 4.03Å; I271-M362 HydrophobicContact CG2-SD 3.81Å; I272-M362 PolarHBondContact N-O 3.24Å; M362-Y462 CarbonylContact C-O 3.57Å; M362-Y462 WeakPolarHBondContact CA-O 3.38Å; M362-Y464 HydrophobicContact CG-CD1 4.47Å; M362-W521 HydrophobicContact SD-CD2 4.05Å; M362-W521 HydrophobicContact SD-CE3 3.99Å; M362-W521 HydrophobicContact SD-CH2 4.28Å; M362-W521 HydrophobicContact SD-CZ2 4.33Å; M362-W521 HydrophobicContact SD-CZ3 4.11Å; M362-F524 HydrophobicContact CB-CD1 4.16Å; M362-F524 HydrophobicContact CB-CD2 4.48Å; M362-F524 HydrophobicContact CB-CE1 3.89Å; M362-F524 HydrophobicContact CB-CE2 4.23Å; M362-F524 HydrophobicContact CB-CG 4.43Å; M362-F524 HydrophobicContact CB-CZ 3.92Å; M362-F524 HydrophobicContact CE-CB 3.58Å; M362-F524 HydrophobicContact CE-CD1 4.21Å; M362-F524 HydrophobicContact CE-CD2 4.09Å; M362-F524 HydrophobicContact CE-CG 3.71Å; M362-P530 HydrophobicContact CE-CB 3.71Å; M362-P530 HydrophobicContact CE-CG 4.25Å; M362-W553 HydrophobicContact CE-CE3 4.39Å; M362-W553 HydrophobicContact CE-CH2 3.67Å; M362-W553 HydrophobicContact CE-CZ2 4.48Å; M362-W553 HydrophobicContact CE-CZ3 3.62Å; M362-W553 HydrophobicContact CG-CH2 3.68Å; M362-W553 HydrophobicContact CG-CZ2 4.04Å; M362-W553 HydrophobicContact SD-CH2 3.48Å; M362-W553 WeakPolarHBondContact SD-CH2 3.47Å; M362-W553 HydrophobicContact SD-CZ2 4.4Å; M362-W553 HydrophobicContact SD-CZ3 3.92Å
363	L	98.8	Very high	94.7	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	162.3	176.9	73.5	172.2	0	0	0	112.3	I272 I361 S447 T450 A451 T461 Y462 F463 Y464	I272-L363 HydrophobicContact CB-CB 3.91Å; I272-L363 VanDerWaalsContact O-CA 3.27Å; I272-L363 WeakPolarHBondContact O-CA 3.32Å; I272-L363 WeakPolarHBondContact O-CB 3.28Å; I361-L363 HydrophobicContact CG2-CB 4.38Å; I361-L363 HydrophobicContact CG2-CD2 4.12Å; L363-S447 WeakPolarHBondContact CD1-O 3.45Å; L363-T450 HydrophobicContact CD1-CG2 3.91Å; L363-A451 HydrophobicContact CD1-CB 4.1Å; L363-A451 HydrophobicContact CD2-CB 3.95Å; L363-A451 HydrophobicContact CG-CB 4.38Å; L363-T461 HydrophobicContact CD2-CG2 3.63Å; L363-Y462 PolarHBondContact N-O 3.29Å; L363-F463 HydrophobicContact CD2-CD2 4.03Å; L363-F463 HydrophobicContact CG-CD2 3.88Å; L363-F463 HydrophobicContact CG-CE2 4.1Å; L363-F463 CarbonylContact O-C 3.42Å; L363-F463 VanDerWaalsContact O-CA 3.25Å; L363-F463 WeakPolarHBondContact O-CA 3.37Å; L363-Y464 VanDerWaalsContact O-CD1 3.31Å; L363-Y464 WeakPolarHBondContact O-CD1 3.48Å; L363-Y464 PolarHBondContact O-N 2.82Å
364	G	98.6	Very high	94.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.4	179.2	179.2	0	0	0	0	0	113.6	I272 S274 Y464	I272-G364 PolarHBondContact O-N 3.41Å; S274-G364 PolarHBondContact N-O 3.47Å; G364-Y464 WeakPolarHBondContact CA-O 3.26Å
365	V	98.8	Very high	94.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	159.4	-171	-65	0	0	0	0	111.2	W443 V444 S447 F463 Y464 A465 F466 Y576	V365-W443 HydrophobicContact CG1-CB 4.05Å; V365-V444 HydrophobicContact CG2-CG2 4.21Å; V365-S447 WeakPolarHBondContact CG1-OG 3.26Å; V365-F463 HydrophobicContact CG2-CZ 4.49Å; V365-Y464 PolarHBondContact N-O 3.12Å; V365-A465 CarbonylContact O-C 3.43Å; V365-A465 VanDerWaalsContact O-CA 3.28Å; V365-A465 WeakPolarHBondContact O-CA 3.42Å; V365-F466 PolarHBondContact O-N 2.65Å; V365-Y576 HydrophobicContact CG2-CD1 4.33Å; V365-Y576 HydrophobicContact CG2-CE1 3.61Å
366	N	98.6	Very high	94.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	155.9	174.8	-57.7	-16	0	0	0	110.2	G368 E369 F466 A481 A482 E486	N366-G368 VanDerWaalsContact C-N 3.29Å; N366-G368 PolarHBondContact O-N 3.12Å; N366-E369 HydrophobicContact CB-CG 4.36Å; N366-E369 PolarHBondContact N-OE1 3.29Å; N366-F466 HydrophobicContact CB-CB 4.49Å; N366-F466 WeakPolarHBondContact OD1-CB 3.42Å; N366-A481 HydrophobicContact CB-CB 4.36Å; N366-A481 WeakPolarHBondContact CB-O 3.39Å; N366-A482 PolarHBondContact ND2-O 3.36Å; N366-E486 PolarHBondContact ND2-OE2 3.12Å
367	Q	97.4	Very high	94.5	Very high	26 Å²	26	24.8 Å²	24.8	12%	0.121	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-32.6	-173.5	-178.5	-174.4	-13.1	0	0	114.4	F466 Y467 D480 A481	Q367-F466 PolarHBondContact N-O 3.22Å; Q367-Y467 HydrophobicContact CB-CD1 4.16Å; Q367-Y467 HydrophobicContact CB-CD2 4.22Å; Q367-Y467 HydrophobicContact CB-CE1 4.13Å; Q367-Y467 HydrophobicContact CB-CE2 4.15Å; Q367-Y467 HydrophobicContact CB-CG 4.21Å; Q367-Y467 VanDerWaalsContact CD-CE1 3.41Å; Q367-Y467 HydrophobicContact CG-CD1 3.85Å; Q367-Y467 HydrophobicContact CG-CE1 3.52Å; Q367-Y467 HydrophobicContact CG-CE2 4.33Å; Q367-Y467 HydrophobicContact CG-CG 4.4Å; Q367-D480 HydrophobicContact CB-CB 4.21Å; Q367-D480 VanDerWaalsContact CD-CG 3.46Å; Q367-D480 HydrophobicContact CG-CB 3.92Å; Q367-D480 PolarHBondContact NE2-OD1 3.41Å; Q367-D480 PolarHBondContact NE2-OD2 3.15Å; Q367-A481 PolarHBondContact N-O 3.11Å
368	G	96.3	Very high	94.9	Very high	2 Å²	2	24.7 Å²	24.7	2%	0.021	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-142.8	46.1	-170.7	0	0	0	0	0	113	N366 G370 L371 A481 A482	N366-G368 VanDerWaalsContact C-N 3.29Å; N366-G368 PolarHBondContact O-N 3.12Å; G368-G370 PolarHBondContact O-N 3.18Å; G368-G370 VanDerWaalsContact O-N 3.11Å; G368-L371 PolarHBondContact O-N 3.12Å; G368-A481 CarbonylContact C-O 3.54Å; G368-A481 WeakPolarHBondContact CA-O 3.47Å; G368-A481 PolarHBondContact N-O 3.37Å; G368-A482 WeakPolarHBondContact O-CA 3.36Å
369	E	97.3	Very high	95.2	Very high	3 Å²	3	20.9 Å²	20.9	1%	0.014	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-39.6	-49.1	177.3	-58.2	-78.7	-172.3	0	0	112.5	S274 N366 L371 T439 W443 H483	S274-E369 WeakPolarHBondContact CB-OE1 3.5Å; S274-E369 PolarHBondContact OG-OE1 3.14Å; N366-E369 HydrophobicContact CB-CG 4.36Å; N366-E369 PolarHBondContact N-OE1 3.29Å; E369-L371 PolarHBondContact O-N 3.01Å; E369-T439 HydrophobicContact CB-CG2 3.92Å; E369-T439 HydrophobicContact CG-CG2 3.84Å; E369-T439 PolarHBondContact N-OG1 2.86Å; E369-W443 HydrophobicContact CB-CD2 3.45Å; E369-W443 VanDerWaalsContact CB-CD2 3.45Å; E369-W443 HydrophobicContact CB-CE3 3.32Å; E369-W443 HydrophobicContact CB-CG 4.06Å; E369-W443 HydrophobicContact CB-CH2 3.86Å; E369-W443 HydrophobicContact CB-CZ2 3.99Å; E369-W443 HydrophobicContact CB-CZ3 3.54Å; E369-W443 HydrophobicContact CG-CB 3.99Å; E369-W443 HydrophobicContact CG-CD2 3.72Å; E369-W443 HydrophobicContact CG-CE3 4Å; E369-W443 HydrophobicContact CG-CG 3.76Å; E369-H483 VanDerWaalsContact OE2-CA 3.23Å; E369-H483 WeakPolarHBondContact OE2-CA 3.47Å; E369-H483 IonicContact OE2-CE1 3.87Å; E369-H483 IonicContact OE2-CG 3.17Å; E369-H483 IonicContact OE2-ND1 2.7Å; E369-H483 PolarHBondContact OE2-ND1 3.09Å
370	G	94.9	Very high	94.9	Very high	2 Å²	2	26.9 Å²	26.9	2%	0.021	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	26.8	-175.2	0	0	0	0	0	116.6	G368 K372 F373 T439	G368-G370 PolarHBondContact O-N 3.18Å; G368-G370 VanDerWaalsContact O-N 3.11Å; G370-K372 VanDerWaalsContact C-N 3.28Å; G370-K372 PolarHBondContact O-N 2.65Å; G370-F373 WeakPolarHBondContact O-CB 3.4Å; G370-F373 PolarHBondContact O-N 2.67Å; G370-F373 VanDerWaalsContact O-N 3.08Å; G370-T439 PolarHBondContact N-OG1 2.84Å
371	L	94.7	Very high	94.6	Very high	10 Å²	10	33.9 Å²	33.9	5%	0.052	20%	0.199	C	C	.	.	H	α-helix	trans	-51.3	-47.1	177	177.4	62.3	0	0	0	112.2	V121 G368 E369 F373 V374 K475 W478 A482	V121-L371 HydrophobicContact CG2-CD2 4.31Å; G368-L371 PolarHBondContact O-N 3.12Å; E369-L371 PolarHBondContact O-N 3.01Å; L371-F373 PolarHBondContact O-N 3.33Å; L371-V374 WeakPolarHBondContact O-CG2 3.39Å; L371-V374 PolarHBondContact O-N 3.38Å; L371-K475 HydrophobicContact CD2-CG 4.49Å; L371-W478 HydrophobicContact CD1-CE3 4.49Å; L371-W478 HydrophobicContact CD1-CH2 3.45Å; L371-W478 VanDerWaalsContact CD1-CH2 3.45Å; L371-W478 HydrophobicContact CD1-CZ2 4.45Å; L371-W478 HydrophobicContact CD1-CZ3 3.48Å; L371-W478 VanDerWaalsContact CD1-CZ3 3.48Å; L371-A482 HydrophobicContact CB-CB 3.65Å; L371-A482 HydrophobicContact CD2-CB 3.74Å; L371-A482 HydrophobicContact CG-CB 4.33Å
372	K	92.8	Very high	94.3	Very high	35 Å²	35	37.1 Å²	37.1	15%	0.152	22%	0.216	C	C	.	.	H	α-helix	trans	-67.7	-14.4	-178.9	-75.2	-65.5	-168.3	170.3	0	114.4	E116 V117 T124 G370 E375	E116-K372 HydrophobicContact CB-CD 4.38Å; E116-K372 WeakPolarHBondContact OE2-CE 3.3Å; E116-K372 IonicContact OE2-NZ 2.69Å; E116-K372 PolarHBondContact OE2-NZ 3.39Å; V117-K372 HydrophobicContact CG1-CB 4.23Å; T124-K372 WeakPolarHBondContact OG1-CE 3.23Å; G370-K372 VanDerWaalsContact C-N 3.28Å; G370-K372 PolarHBondContact O-N 2.65Å; K372-E375 WeakPolarHBondContact CD-OE2 3.42Å; K372-E375 WeakPolarHBondContact CE-OE2 3.48Å; K372-E375 IonicContact NZ-OE1 3.71Å; K372-E375 IonicContact NZ-OE2 3.31Å; K372-E375 PolarHBondContact NZ-OE2 2.92Å
373	F	93.4	Very high	94.1	Very high	16 Å²	16	37.2 Å²	37.2	7%	0.07	22%	0.217	C	C	.	.	H	α-helix	trans	-71.5	-30.9	176.4	174.4	-110.3	0	0	0	112.8	Y330 G370 L371 F396 L434 F438	Y330-F373 WeakPolarHBondContact OH-CE2 3.35Å; G370-F373 WeakPolarHBondContact O-CB 3.4Å; G370-F373 PolarHBondContact O-N 2.67Å; G370-F373 VanDerWaalsContact O-N 3.08Å; L371-F373 PolarHBondContact O-N 3.33Å; F373-F396 HydrophobicContact CE2-CB 4.47Å; F373-F396 HydrophobicContact CE2-CD2 4.33Å; F373-F396 HydrophobicContact CZ-CB 4.24Å; F373-F396 HydrophobicContact CZ-CD2 4.42Å; F373-L434 HydrophobicContact CD1-CB 4.49Å; F373-L434 HydrophobicContact CE1-CB 4.22Å; F373-L434 HydrophobicContact CE1-CD2 4.3Å; F373-F438 HydrophobicContact CB-CB 3.86Å; F373-F438 HydrophobicContact CB-CD1 3.59Å; F373-F438 HydrophobicContact CB-CD2 4.24Å; F373-F438 HydrophobicContact CB-CE1 4.19Å; F373-F438 HydrophobicContact CB-CG 3.62Å; F373-F438 HydrophobicContact CD1-CB 3.59Å; F373-F438 HydrophobicContact CD1-CD2 4.36Å; F373-F438 HydrophobicContact CD1-CG 4.04Å; F373-F438 HydrophobicContact CD2-CB 4.26Å; F373-F438 HydrophobicContact CD2-CD1 4.38Å; F373-F438 AromaticContact CD2-CD2 3.52Å; F373-F438 HydrophobicContact CD2-CD2 3.52Å; F373-F438 AromaticContact CD2-CE2 3.92Å; F373-F438 HydrophobicContact CD2-CE2 3.92Å; F373-F438 AromaticContact CD2-CG 3.8Å; F373-F438 HydrophobicContact CD2-CG 3.8Å; F373-F438 HydrophobicContact CD2-CZ 4.49Å; F373-F438 HydrophobicContact CE1-CB 4.15Å; F373-F438 AromaticContact CE2-CD2 3.88Å; F373-F438 HydrophobicContact CE2-CD2 3.88Å; F373-F438 HydrophobicContact CE2-CE2 4.36Å; F373-F438 HydrophobicContact CE2-CG 4.47Å; F373-F438 HydrophobicContact CG-CB 3.65Å; F373-F438 HydrophobicContact CG-CD1 4.06Å; F373-F438 AromaticContact CG-CD2 3.8Å; F373-F438 HydrophobicContact CG-CD2 3.8Å; F373-F438 HydrophobicContact CG-CE2 4.5Å; F373-F438 AromaticContact CG-CG 3.56Å; F373-F438 HydrophobicContact CG-CG 3.56Å; F373-F438 HydrophobicContact CZ-CD2 4.43Å
374	V	92.4	Very high	94	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.006	22%	0.217	C	C	.	.	H	α-helix	trans	-102	-13.6	-175.6	-56.9	0	0	0	0	114.5	L371 G376 V377 V378 R431 L434 V435 W478	L371-V374 WeakPolarHBondContact O-CG2 3.39Å; L371-V374 PolarHBondContact O-N 3.38Å; V374-G376 VanDerWaalsContact C-N 3.25Å; V374-G376 PolarHBondContact O-N 3.2Å; V374-G376 VanDerWaalsContact O-N 3.12Å; V374-V377 HydrophobicContact CB-CG2 4.28Å; V374-V377 WeakPolarHBondContact O-CG2 3.48Å; V374-V377 PolarHBondContact O-N 2.56Å; V374-V378 HydrophobicContact CB-CG2 4.17Å; V374-V378 HydrophobicContact CG2-CG2 3.98Å; V374-V378 WeakPolarHBondContact O-CG2 3.28Å; V374-V378 PolarHBondContact O-N 2.62Å; V374-V378 VanDerWaalsContact O-N 3.16Å; V374-R431 HydrophobicContact CG2-CG 4.16Å; V374-L434 HydrophobicContact CG1-CB 3.53Å; V374-L434 HydrophobicContact CG1-CD1 4.37Å; V374-V435 HydrophobicContact CB-CG2 4.27Å; V374-V435 HydrophobicContact CG1-CG2 3.74Å; V374-V435 HydrophobicContact CG2-CG2 3.48Å; V374-V435 VanDerWaalsContact CG2-CG2 3.48Å; V374-W478 HydrophobicContact CG2-CH2 3.92Å
375	E	86	Confident	93.9	Very high	97 Å²	97	38.7 Å²	38.7	45%	0.453	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-54.8	-37.7	-170.4	-171.2	173.4	-144.3	0	0	113.5	K372 V377	K372-E375 WeakPolarHBondContact CD-OE2 3.42Å; K372-E375 WeakPolarHBondContact CE-OE2 3.48Å; K372-E375 IonicContact NZ-OE1 3.71Å; K372-E375 IonicContact NZ-OE2 3.31Å; K372-E375 PolarHBondContact NZ-OE2 2.92Å; E375-V377 VanDerWaalsContact C-N 3.31Å; E375-V377 PolarHBondContact O-N 3.08Å
376	G	87.8	Confident	93.8	Very high	80 Å²	80	40.2 Å²	40.2	83%	0.825	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-78.6	-1.9	177.4	0	0	0	0	0	116.3	V374	V374-G376 VanDerWaalsContact C-N 3.25Å; V374-G376 PolarHBondContact O-N 3.2Å; V374-G376 VanDerWaalsContact O-N 3.12Å
377	V	92.6	Very high	93.6	Very high	35 Å²	35	45.3 Å²	45.3	21%	0.212	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-127.3	4.8	-179.8	-62.5	0	0	0	0	113.6	V374 E375 V384 D388	V374-V377 HydrophobicContact CB-CG2 4.28Å; V374-V377 WeakPolarHBondContact O-CG2 3.48Å; V374-V377 PolarHBondContact O-N 2.56Å; E375-V377 VanDerWaalsContact C-N 3.31Å; E375-V377 PolarHBondContact O-N 3.08Å; V377-V384 HydrophobicContact CG2-CG1 4.43Å; V377-V384 HydrophobicContact CG2-CG2 4.38Å; V377-D388 HydrophobicContact CB-CB 4.15Å; V377-D388 HydrophobicContact CG1-CB 4.42Å
378	V	93.5	Very high	93.6	Very high	36 Å²	36	47 Å²	47	22%	0.218	28%	0.284	C	S	.	.			trans	-82.5	130.6	174.1	169.4	0	0	0	0	110	V374 G383 V384 R431 W478	V374-V378 HydrophobicContact CB-CG2 4.17Å; V374-V378 HydrophobicContact CG2-CG2 3.98Å; V374-V378 WeakPolarHBondContact O-CG2 3.28Å; V374-V378 PolarHBondContact O-N 2.62Å; V374-V378 VanDerWaalsContact O-N 3.16Å; V378-G383 CarbonylContact C-O 3.58Å; V378-G383 VanDerWaalsContact CA-O 3.29Å; V378-G383 WeakPolarHBondContact CA-O 3.31Å; V378-V384 HydrophobicContact CG2-CG2 3.88Å; V378-R431 HydrophobicContact CG2-CG 3.69Å; V378-W478 HydrophobicContact CG1-CZ2 4.21Å; V378-W478 HydrophobicContact CG2-CH2 4.41Å; V378-W478 HydrophobicContact CG2-CZ2 4.08Å
379	D	92	Very high	93.6	Very high	53 Å²	53	47.3 Å²	47.3	28%	0.283	29%	0.285	S	S	.	.			trans	-82.2	166.5	177	66.5	49.4	0	0	0	112.3	E381 D382 G383	D379-E381 PolarHBondContact O-N 2.85Å; D379-E381 VanDerWaalsContact O-N 3.1Å; D379-E381 WeakPolarHBondContact OD1-CA 3.43Å; D379-E381 WeakPolarHBondContact OD1-CB 3.31Å; D379-E381 PolarHBondContact OD1-N 3.5Å; D379-D382 PolarHBondContact O-N 3.35Å; D379-D382 PolarHBondContact OD1-N 2.96Å; D379-G383 PolarHBondContact N-O 2.93Å; D379-G383 WeakPolarHBondContact OD1-CA 3.32Å; D379-G383 PolarHBondContact OD1-N 2.85Å; D379-G383 VanDerWaalsContact OD2-CA 3.31Å; D379-G383 WeakPolarHBondContact OD2-CA 3.18Å
380	P	91.4	Very high	93.5	Very high	137 Å²	137	50.4 Å²	50.4	89%	0.89	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-7	179.8	-23.1	35.3	0	0	0	115.8	D382	P380-D382 VanDerWaalsContact C-N 3.32Å
381	E	92	Very high	93.6	Very high	176 Å²	176	57.2 Å²	57.2	82%	0.822	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	18.8	172	-59.1	-169.7	167.5	0	0	111.2	D379 G383	D379-E381 PolarHBondContact O-N 2.85Å; D379-E381 VanDerWaalsContact O-N 3.1Å; D379-E381 WeakPolarHBondContact OD1-CA 3.43Å; D379-E381 WeakPolarHBondContact OD1-CB 3.31Å; D379-E381 PolarHBondContact OD1-N 3.5Å; E381-G383 PolarHBondContact O-N 3.09Å
382	D	92.4	Very high	93.6	Very high	70 Å²	70	57.1 Å²	57.1	37%	0.374	33%	0.328	S	S	.	.	S	Bend	trans	61.5	16.3	-177.1	-65.7	-41.1	0	0	0	114	D379 P380 R431 W478	D379-D382 PolarHBondContact O-N 3.35Å; D379-D382 PolarHBondContact OD1-N 2.96Å; P380-D382 VanDerWaalsContact C-N 3.32Å; D382-R431 WeakPolarHBondContact O-CD 3.45Å; D382-R431 PolarHBondContact O-NH1 2.93Å; D382-W478 HydrophobicContact CB-CG 4.47Å; D382-W478 PolarHBondContact OD1-NE1 3.49Å
383	G	94.5	Very high	93.8	Very high	2 Å²	2	55.5 Å²	55.5	2%	0.021	32%	0.321	C	S	.	.			trans	-90.2	172.6	179.2	0	0	0	0	0	114.3	V378 D379 E381	V378-G383 CarbonylContact C-O 3.58Å; V378-G383 VanDerWaalsContact CA-O 3.29Å; V378-G383 WeakPolarHBondContact CA-O 3.31Å; D379-G383 PolarHBondContact N-O 2.93Å; D379-G383 WeakPolarHBondContact OD1-CA 3.32Å; D379-G383 PolarHBondContact OD1-N 2.85Å; D379-G383 VanDerWaalsContact OD2-CA 3.31Å; D379-G383 WeakPolarHBondContact OD2-CA 3.18Å; E381-G383 PolarHBondContact O-N 3.09Å
384	V	97.1	Very high	93.7	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	33%	0.327	C	S	.	.			trans	-128.7	136.9	160.2	175.5	0	0	0	0	108.8	V377 V378 D388 P427 R430 R431 L434	V377-V384 HydrophobicContact CG2-CG1 4.43Å; V377-V384 HydrophobicContact CG2-CG2 4.38Å; V378-V384 HydrophobicContact CG2-CG2 3.88Å; V384-D388 HydrophobicContact CG1-CB 3.91Å; V384-P427 PolarHBondContact N-O 2.91Å; V384-P427 VanDerWaalsContact N-O 3.12Å; V384-R430 VanDerWaalsContact O-CZ 3.25Å; V384-R430 PolarHBondContact O-NE 2.75Å; V384-R430 PolarHBondContact O-NH2 3.47Å; V384-R431 HydrophobicContact CB-CB 4.29Å; V384-R431 HydrophobicContact CG2-CB 3.66Å; V384-R431 HydrophobicContact CG2-CG 3.76Å; V384-L434 HydrophobicContact CB-CD1 4.39Å; V384-L434 HydrophobicContact CG1-CD1 3.72Å; V384-L434 HydrophobicContact CG2-CD1 4.38Å
385	S	96.9	Very high	93.7	Very high	32 Å²	32	57.7 Å²	57.7	22%	0.224	34%	0.336	C	S	.	.			trans	-71.4	161.9	179.7	88.2	0	0	0	0	112.6	T387 D388 F389	S385-T387 VanDerWaalsContact C-N 3.3Å; S385-T387 PolarHBondContact O-N 3.27Å; S385-T387 PolarHBondContact OG-N 3.01Å; S385-T387 PolarHBondContact OG-OG1 2.65Å; S385-D388 VanDerWaalsContact CB-OD2 3.3Å; S385-D388 WeakPolarHBondContact CB-OD2 3.38Å; S385-D388 PolarHBondContact O-N 2.85Å; S385-D388 WeakPolarHBondContact OG-CB 3.29Å; S385-D388 PolarHBondContact OG-N 3.08Å; S385-D388 PolarHBondContact OG-OD2 3.42Å; S385-F389 WeakPolarHBondContact O-CB 3.19Å; S385-F389 PolarHBondContact O-N 3.45Å
386	G	95.4	Very high	94.1	Very high	32 Å²	32	53 Å²	53	33%	0.33	31%	0.314	S	S	.	.	H	α-helix	trans	-64.7	-36.1	175.3	0	0	0	0	0	112.6	D390	G386-D390 PolarHBondContact O-N 3.13Å
387	T	96	Very high	94.3	Very high	107 Å²	107	49.2 Å²	49.2	66%	0.656	28%	0.275	S	S	*	.	H	α-helix	trans	-69	-39.7	177.2	36.6	0	0	0	0	112.4	S385 D390 Y391	S385-T387 VanDerWaalsContact C-N 3.3Å; S385-T387 PolarHBondContact O-N 3.27Å; S385-T387 PolarHBondContact OG-N 3.01Å; S385-T387 PolarHBondContact OG-OG1 2.65Å; T387-D390 PolarHBondContact O-N 2.87Å; T387-Y391 VanDerWaalsContact O-CB 3.3Å; T387-Y391 WeakPolarHBondContact O-CB 3.45Å; T387-Y391 PolarHBondContact O-N 3Å
388	D	96.7	Very high	94.1	Very high	61 Å²	61	49.4 Å²	49.4	33%	0.326	28%	0.275	S	S	.	.	H	α-helix	trans	-73.7	-31.9	178.4	-59.2	-47.3	0	0	0	111.3	V377 V384 S385 S392	V377-D388 HydrophobicContact CB-CB 4.15Å; V377-D388 HydrophobicContact CG1-CB 4.42Å; V384-D388 HydrophobicContact CG1-CB 3.91Å; S385-D388 VanDerWaalsContact CB-OD2 3.3Å; S385-D388 WeakPolarHBondContact CB-OD2 3.38Å; S385-D388 PolarHBondContact O-N 2.85Å; S385-D388 WeakPolarHBondContact OG-CB 3.29Å; S385-D388 PolarHBondContact OG-N 3.08Å; S385-D388 PolarHBondContact OG-OD2 3.42Å; D388-S392 WeakPolarHBondContact O-CB 3.44Å; D388-S392 PolarHBondContact O-N 3.33Å; D388-S392 PolarHBondContact O-OG 3.14Å
389	F	96.9	Very high	93.9	Very high	8 Å²	8	50 Å²	50	4%	0.035	28%	0.277	C	S	.	.	H	α-helix	trans	-60.1	-55.4	168.6	-178.9	-84.6	0	0	0	111.4	S385 Y391 S392 V393 K415 Y418 R430 T433 L434	S385-F389 WeakPolarHBondContact O-CB 3.19Å; S385-F389 PolarHBondContact O-N 3.45Å; F389-Y391 VanDerWaalsContact C-N 3.32Å; F389-Y391 PolarHBondContact O-N 2.77Å; F389-S392 PolarHBondContact O-N 3.3Å; F389-V393 HydrophobicContact CD1-CG2 4.22Å; F389-V393 HydrophobicContact CE1-CG2 3.87Å; F389-V393 HydrophobicContact CZ-CG2 4.01Å; F389-V393 WeakPolarHBondContact O-CG2 3.4Å; F389-V393 PolarHBondContact O-N 3.27Å; F389-K415 HydrophobicContact CE1-CB 4.48Å; F389-K415 HydrophobicContact CE1-CG 4.44Å; F389-Y418 WeakPolarHBondContact CZ-O 3.45Å; F389-R430 HydrophobicContact CD2-CB 4.04Å; F389-R430 HydrophobicContact CD2-CG 4.29Å; F389-T433 WeakPolarHBondContact CE2-OG1 3.36Å; F389-L434 HydrophobicContact CB-CD1 4.42Å; F389-L434 HydrophobicContact CD2-CD1 3.92Å; F389-L434 HydrophobicContact CD2-CD2 3.56Å; F389-L434 HydrophobicContact CD2-CG 3.5Å; F389-L434 VanDerWaalsContact CD2-CG 3.5Å; F389-L434 HydrophobicContact CE2-CD2 3.71Å; F389-L434 HydrophobicContact CE2-CG 3.83Å; F389-L434 HydrophobicContact CG-CD2 4.22Å; F389-L434 HydrophobicContact CG-CG 4.44Å
390	D	95.3	Very high	93.7	Very high	69 Å²	69	49 Å²	49	37%	0.369	27%	0.271	S	S	.	.	H	α-helix	trans	-59.4	-42.5	179.3	-85.4	-31	0	0	0	112.1	G386 T387 S394 K415	G386-D390 PolarHBondContact O-N 3.13Å; T387-D390 PolarHBondContact O-N 2.87Å; D390-S394 WeakPolarHBondContact O-CB 3.42Å; D390-S394 PolarHBondContact O-N 2.97Å; D390-S394 PolarHBondContact O-OG 3.02Å; D390-K415 VanDerWaalsContact OD1-CD 3.23Å; D390-K415 WeakPolarHBondContact OD1-CD 3.35Å; D390-K415 WeakPolarHBondContact OD1-CE 3.33Å; D390-K415 IonicContact OD1-NZ 3.88Å; D390-K415 PolarHBondContact OD1-NZ 3.21Å; D390-K415 VanDerWaalsContact OD1-NZ 3.17Å
391	Y	95.4	Very high	93.4	Very high	144 Å²	144	44.6 Å²	44.6	57%	0.565	24%	0.237	S	C	*	.	H	α-helix	trans	-63.1	-46.6	175.5	177.7	-101.2	0	0	0	112	T387 F389 S394 N395	T387-Y391 VanDerWaalsContact O-CB 3.3Å; T387-Y391 WeakPolarHBondContact O-CB 3.45Å; T387-Y391 PolarHBondContact O-N 3Å; F389-Y391 VanDerWaalsContact C-N 3.32Å; F389-Y391 PolarHBondContact O-N 2.77Å; Y391-S394 PolarHBondContact O-N 2.89Å; Y391-N395 HydrophobicContact CE1-CB 4.44Å; Y391-N395 WeakPolarHBondContact CE1-ND2 3.26Å; Y391-N395 WeakPolarHBondContact O-CB 3.31Å; Y391-N395 PolarHBondContact O-N 2.7Å; Y391-N395 PolarHBondContact OH-ND2 2.89Å
392	S	96.1	Very high	92.7	Very high	9 Å²	9	37.5 Å²	37.5	6%	0.063	21%	0.212	C	C	.	.	H	α-helix	trans	-63.9	-43.2	-178.6	-60.8	0	0	0	0	111.9	D388 F389 F396	D388-S392 WeakPolarHBondContact O-CB 3.44Å; D388-S392 PolarHBondContact O-N 3.33Å; D388-S392 PolarHBondContact O-OG 3.14Å; F389-S392 PolarHBondContact O-N 3.3Å; S392-F396 VanDerWaalsContact O-CB 3.22Å; S392-F396 WeakPolarHBondContact O-CB 3.35Å; S392-F396 PolarHBondContact O-N 3.08Å
393	V	95.3	Very high	91.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.1	-42.9	174.4	178.7	0	0	0	0	111.2	F389 F396 V397 I414 K415 L434 L437	F389-V393 HydrophobicContact CD1-CG2 4.22Å; F389-V393 HydrophobicContact CE1-CG2 3.87Å; F389-V393 HydrophobicContact CZ-CG2 4.01Å; F389-V393 WeakPolarHBondContact O-CG2 3.4Å; F389-V393 PolarHBondContact O-N 3.27Å; V393-F396 PolarHBondContact O-N 3.02Å; V393-V397 WeakPolarHBondContact O-CG2 3.31Å; V393-V397 PolarHBondContact O-N 3.36Å; V393-V397 VanDerWaalsContact O-N 3.1Å; V393-I414 HydrophobicContact CG1-CB 4.14Å; V393-I414 HydrophobicContact CG1-CG2 3.65Å; V393-K415 HydrophobicContact CB-CG 4.08Å; V393-K415 HydrophobicContact CG1-CG 3.71Å; V393-K415 HydrophobicContact CG2-CG 4.38Å; V393-L434 HydrophobicContact CG2-CD2 3.91Å; V393-L437 HydrophobicContact CG1-CD1 4.4Å; V393-L437 HydrophobicContact CG2-CD1 3.8Å
394	S	92.4	Very high	89.7	Confident	29 Å²	29	44.9 Å²	44.9	20%	0.203	24%	0.24	C	C	.	.	H	α-helix	trans	-61	-53.8	177.4	-54.9	0	0	0	0	111	D390 Y391 F396 V397 D398 R411	D390-S394 WeakPolarHBondContact O-CB 3.42Å; D390-S394 PolarHBondContact O-N 2.97Å; D390-S394 PolarHBondContact O-OG 3.02Å; Y391-S394 PolarHBondContact O-N 2.89Å; S394-F396 VanDerWaalsContact C-N 3.28Å; S394-F396 PolarHBondContact O-N 3.48Å; S394-V397 PolarHBondContact O-N 2.85Å; S394-V397 VanDerWaalsContact O-N 3.14Å; S394-D398 WeakPolarHBondContact O-CB 3.47Å; S394-D398 PolarHBondContact O-N 3.24Å; S394-R411 WeakPolarHBondContact OG-CD 3.42Å
395	N	92.5	Very high	87.8	Confident	34 Å²	34	52.2 Å²	52.2	18%	0.182	27%	0.274	C	S	.	.	H	α-helix	trans	-60	-37.1	179.8	-166.5	-9.1	0	0	0	111.6	R329 Y391 N399	R329-N395 PolarHBondContact NH1-ND2 3.07Å; R329-N395 PolarHBondContact NH1-OD1 3.17Å; Y391-N395 HydrophobicContact CE1-CB 4.44Å; Y391-N395 WeakPolarHBondContact CE1-ND2 3.26Å; Y391-N395 WeakPolarHBondContact O-CB 3.31Å; Y391-N395 PolarHBondContact O-N 2.7Å; Y391-N395 PolarHBondContact OH-ND2 2.89Å; N395-N399 PolarHBondContact O-N 3.41Å; N395-N399 PolarHBondContact O-ND2 2.78Å; N395-N399 PolarHBondContact OD1-ND2 2.97Å
396	F	93.6	Very high	86	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60	-52.3	172.5	175.1	-93.1	0	0	0	112.3	Y330 F373 S392 V393 S394 D398 N399 L400 L437 F438 H441 W584	Y330-F396 HydrophobicContact CE2-CD2 4.31Å; F373-F396 HydrophobicContact CE2-CB 4.47Å; F373-F396 HydrophobicContact CE2-CD2 4.33Å; F373-F396 HydrophobicContact CZ-CB 4.24Å; F373-F396 HydrophobicContact CZ-CD2 4.42Å; S392-F396 VanDerWaalsContact O-CB 3.22Å; S392-F396 WeakPolarHBondContact O-CB 3.35Å; S392-F396 PolarHBondContact O-N 3.08Å; V393-F396 PolarHBondContact O-N 3.02Å; S394-F396 VanDerWaalsContact C-N 3.28Å; S394-F396 PolarHBondContact O-N 3.48Å; F396-D398 VanDerWaalsContact C-N 3.32Å; F396-D398 PolarHBondContact O-N 3.34Å; F396-N399 PolarHBondContact O-N 3.31Å; F396-L400 HydrophobicContact CD1-CD1 4.26Å; F396-L400 HydrophobicContact CD2-CD1 3.81Å; F396-L400 HydrophobicContact CE1-CD1 3.76Å; F396-L400 HydrophobicContact CE2-CD1 3.25Å; F396-L400 HydrophobicContact CG-CD1 4.28Å; F396-L400 HydrophobicContact CZ-CD1 3.23Å; F396-L400 PolarHBondContact O-N 2.89Å; F396-L437 HydrophobicContact CD1-CD2 3.71Å; F396-L437 HydrophobicContact CD2-CD2 3.89Å; F396-L437 HydrophobicContact CE1-CD2 3.74Å; F396-L437 HydrophobicContact CE2-CD2 3.91Å; F396-L437 HydrophobicContact CG-CD2 3.78Å; F396-L437 HydrophobicContact CZ-CD2 3.83Å; F396-F438 AromaticContact CD2-CD2 3.73Å; F396-F438 HydrophobicContact CD2-CD2 3.73Å; F396-F438 HydrophobicContact CD2-CE2 4.08Å; F396-F438 AromaticContact CE2-CD2 3.56Å; F396-F438 HydrophobicContact CE2-CD2 3.56Å; F396-F438 AromaticContact CE2-CE2 3.93Å; F396-F438 HydrophobicContact CE2-CE2 3.93Å; F396-H441 HydrophobicContact CE2-CB 4.48Å; F396-H441 HydrophobicContact CZ-CB 3.71Å; F396-H441 AromaticContact CZ-CD2 3.94Å; F396-H441 AromaticContact CZ-CG 3.57Å; F396-H441 AromaticContact CZ-ND1 3.83Å; F396-W584 AromaticContact CE1-CH2 3.82Å; F396-W584 HydrophobicContact CE1-CH2 3.82Å; F396-W584 HydrophobicContact CE1-CZ2 4.47Å; F396-W584 HydrophobicContact CE1-CZ3 4.46Å
397	V	91.5	Very high	84.8	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61.5	-41.7	178.6	175.7	0	0	0	0	111.4	V393 S394 N399 L400 Y401 K407 L410 I414	V393-V397 WeakPolarHBondContact O-CG2 3.31Å; V393-V397 PolarHBondContact O-N 3.36Å; V393-V397 VanDerWaalsContact O-N 3.1Å; S394-V397 PolarHBondContact O-N 2.85Å; S394-V397 VanDerWaalsContact O-N 3.14Å; V397-N399 VanDerWaalsContact C-N 3.31Å; V397-N399 PolarHBondContact O-N 2.84Å; V397-L400 PolarHBondContact O-N 2.76Å; V397-Y401 HydrophobicContact CG1-CD2 4.31Å; V397-Y401 PolarHBondContact O-N 2.55Å; V397-K407 HydrophobicContact CG1-CG 4.27Å; V397-L410 HydrophobicContact CG1-CD2 4.2Å; V397-L410 HydrophobicContact CG1-CG 4.47Å; V397-I414 HydrophobicContact CG2-CD1 3.4Å; V397-I414 VanDerWaalsContact CG2-CD1 3.4Å
398	D	89.2	Confident	83.9	Confident	39 Å²	39	51 Å²	51	21%	0.209	26%	0.258	C	S	.	.	H	α-helix	trans	-55.9	-41.1	178.3	-81.7	36.9	0	0	0	113.5	S394 F396 G402 Y403 K407	S394-D398 WeakPolarHBondContact O-CB 3.47Å; S394-D398 PolarHBondContact O-N 3.24Å; F396-D398 VanDerWaalsContact C-N 3.32Å; F396-D398 PolarHBondContact O-N 3.34Å; D398-G402 WeakPolarHBondContact O-CA 3.41Å; D398-G402 PolarHBondContact O-N 3.48Å; D398-Y403 PolarHBondContact OD2-OH 3.29Å; D398-K407 WeakPolarHBondContact OD1-CE 3.39Å; D398-K407 IonicContact OD1-NZ 2.76Å; D398-K407 PolarHBondContact OD1-NZ 2.93Å; D398-K407 IonicContact OD2-NZ 3.93Å; D398-K407 PolarHBondContact OD2-NZ 3.37Å
399	N	89.8	Confident	83.5	Confident	49 Å²	49	51.4 Å²	51.4	26%	0.262	26%	0.264	S	S	.	.	H	α-helix	trans	-83.7	-27.6	-175	-74.7	-74.2	0	0	0	113.9	R329 Y330 H331 N395 F396 V397	R329-N399 HydrophobicContact CB-CB 4Å; R329-N399 VanDerWaalsContact CB-OD1 3.28Å; R329-N399 WeakPolarHBondContact CB-OD1 3.44Å; Y330-N399 HydrophobicContact CD2-CB 3.74Å; Y330-N399 HydrophobicContact CE2-CB 3.74Å; H331-N399 PolarHBondContact CE1-O 2.69Å; N395-N399 PolarHBondContact O-N 3.41Å; N395-N399 PolarHBondContact O-ND2 2.78Å; N395-N399 PolarHBondContact OD1-ND2 2.97Å; F396-N399 PolarHBondContact O-N 3.31Å; V397-N399 VanDerWaalsContact C-N 3.31Å; V397-N399 PolarHBondContact O-N 2.84Å
400	L	87.9	Confident	83.1	Confident	32 Å²	32	51.2 Å²	51.2	17%	0.168	26%	0.263	C	S	.	.	H	α-helix	trans	-96.5	-40.8	-176.9	-73.2	163.8	0	0	0	113	Y330 F396 V397	Y330-L400 HydrophobicContact CD2-CD1 4.25Å; Y330-L400 HydrophobicContact CD2-CD2 4.27Å; Y330-L400 HydrophobicContact CD2-CG 3.93Å; F396-L400 HydrophobicContact CD1-CD1 4.26Å; F396-L400 HydrophobicContact CD2-CD1 3.81Å; F396-L400 HydrophobicContact CE1-CD1 3.76Å; F396-L400 HydrophobicContact CE2-CD1 3.25Å; F396-L400 HydrophobicContact CG-CD1 4.28Å; F396-L400 HydrophobicContact CZ-CD1 3.23Å; F396-L400 PolarHBondContact O-N 2.89Å; V397-L400 PolarHBondContact O-N 2.76Å
401	Y	84.7	Confident	82.9	Confident	43 Å²	43	49.9 Å²	49.9	17%	0.169	25%	0.253	C	S	.	.	H	α-helix	trans	-105.7	-5.7	-175.9	-60.3	-84.6	0	0	0	112.8	V397 P404 L410 H441 W584 V588 Y592	V397-Y401 HydrophobicContact CG1-CD2 4.31Å; V397-Y401 PolarHBondContact O-N 2.55Å; Y401-P404 VanDerWaalsContact O-CD 3.26Å; Y401-P404 WeakPolarHBondContact O-CD 3.22Å; Y401-L410 HydrophobicContact CD1-CD2 4.11Å; Y401-L410 HydrophobicContact CD2-CD2 4.12Å; Y401-L410 HydrophobicContact CG-CD2 3.87Å; Y401-H441 AromaticContact CE2-NE2 3.98Å; Y401-H441 AromaticContact CZ-NE2 3.71Å; Y401-H441 PolarHBondContact OH-CD2 2.84Å; Y401-H441 PolarHBondContact OH-NE2 3.33Å; Y401-W584 HydrophobicContact CE2-CZ3 4.4Å; Y401-V588 HydrophobicContact CE1-CG1 3.8Å; Y401-V588 WeakPolarHBondContact OH-CG1 3.19Å; Y401-Y592 AromaticContact CD1-CD2 3.83Å; Y401-Y592 HydrophobicContact CD1-CD2 3.83Å; Y401-Y592 HydrophobicContact CD1-CE2 4.11Å; Y401-Y592 HydrophobicContact CG-CD2 4.49Å
402	G	77.1	Confident	82.7	Confident	28 Å²	28	47.3 Å²	47.3	29%	0.289	25%	0.246	S	C	.	.			trans	71.4	-137.6	177.2	0	0	0	0	0	113.6	D398 P404 K407	D398-G402 WeakPolarHBondContact O-CA 3.41Å; D398-G402 PolarHBondContact O-N 3.48Å; G402-P404 VanDerWaalsContact C-CD 3.46Å; G402-K407 WeakPolarHBondContact O-CD 3.29Å; G402-K407 VanDerWaalsContact O-CE 3.27Å; G402-K407 WeakPolarHBondContact O-CE 3.46Å; G402-K407 PolarHBondContact O-NZ 3.18Å
403	Y	66.6	Low	82.7	Confident	188 Å²	188	48.5 Å²	48.5	74%	0.737	25%	0.252	S	S	*	.	S	Bend	trans	-128.6	64.3	-179.8	-76.6	-97.3	0	0	0	112.6	D398 K407	D398-Y403 PolarHBondContact OD2-OH 3.29Å; Y403-K407 HydrophobicContact CD1-CD 4.17Å
404	P	57.4	Low	82.6	Confident	38 Å²	38	48.5 Å²	48.5	25%	0.247	25%	0.252	C	S	.	.			trans	-73.7	152.5	170.5	32.7	-36.7	0	0	0	111.1	Y401 G402 G406 K407 Y592	Y401-P404 VanDerWaalsContact O-CD 3.26Å; Y401-P404 WeakPolarHBondContact O-CD 3.22Å; G402-P404 VanDerWaalsContact C-CD 3.46Å; P404-G406 PolarHBondContact O-N 3.15Å; P404-K407 HydrophobicContact CG-CB 4.36Å; P404-K407 WeakPolarHBondContact O-CB 3.41Å; P404-K407 PolarHBondContact O-N 2.78Å; P404-Y592 HydrophobicContact CB-CE2 4.3Å; P404-Y592 HydrophobicContact CG-CD2 4.22Å; P404-Y592 HydrophobicContact CG-CE2 3.86Å
405	E	56	Low	82.8	Confident	154 Å²	154	48.4 Å²	48.4	72%	0.72	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	130.4	163.5	-61.9	-170.7	169.4	0	0	108.7	H595	E405-H595 PolarHBondContact O-CD2 2.66Å
406	G	61	Low	83	Confident	25 Å²	25	52.2 Å²	52.2	26%	0.258	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.1	-4.4	-172.1	0	0	0	0	0	115.5	P404 D408 T409	P404-G406 PolarHBondContact O-N 3.15Å; G406-D408 PolarHBondContact O-N 3.23Å; G406-D408 VanDerWaalsContact O-N 3.1Å; G406-T409 WeakPolarHBondContact O-CB 3.45Å; G406-T409 PolarHBondContact O-N 3.32Å
407	K	68.3	Low	83.1	Confident	15 Å²	15	53.6 Å²	53.6	7%	0.065	27%	0.271	C	S	.	.	H	α-helix	trans	-51.7	-31.5	178.5	-179	171.5	178.4	177.4	0	115.5	V397 D398 G402 Y403 P404 T409 L410 R411	V397-K407 HydrophobicContact CG1-CG 4.27Å; D398-K407 WeakPolarHBondContact OD1-CE 3.39Å; D398-K407 IonicContact OD1-NZ 2.76Å; D398-K407 PolarHBondContact OD1-NZ 2.93Å; D398-K407 IonicContact OD2-NZ 3.93Å; D398-K407 PolarHBondContact OD2-NZ 3.37Å; G402-K407 WeakPolarHBondContact O-CD 3.29Å; G402-K407 VanDerWaalsContact O-CE 3.27Å; G402-K407 WeakPolarHBondContact O-CE 3.46Å; G402-K407 PolarHBondContact O-NZ 3.18Å; Y403-K407 HydrophobicContact CD1-CD 4.17Å; P404-K407 HydrophobicContact CG-CB 4.36Å; P404-K407 WeakPolarHBondContact O-CB 3.41Å; P404-K407 PolarHBondContact O-N 2.78Å; K407-T409 VanDerWaalsContact C-N 3.34Å; K407-T409 PolarHBondContact O-N 2.75Å; K407-L410 PolarHBondContact O-N 3.48Å; K407-R411 WeakPolarHBondContact O-CB 3.31Å; K407-R411 PolarHBondContact O-N 3.46Å
408	D	78.6	Confident	83.4	Confident	105 Å²	105	53.8 Å²	53.8	56%	0.561	27%	0.271	S	S	*	.	H	α-helix	trans	-59.7	-43.6	174.7	-71.6	-38.1	0	0	0	111.7	G406 R411 E412	G406-D408 PolarHBondContact O-N 3.23Å; G406-D408 VanDerWaalsContact O-N 3.1Å; D408-R411 PolarHBondContact O-N 2.79Å; D408-R411 IonicContact OD1-CZ 2.79Å; D408-R411 IonicContact OD1-NH1 3.17Å; D408-R411 PolarHBondContact OD1-NH1 3.48Å; D408-R411 IonicContact OD1-NH2 3.06Å; D408-R411 PolarHBondContact OD1-NH2 3.02Å; D408-E412 WeakPolarHBondContact O-CB 3.35Å; D408-E412 WeakPolarHBondContact O-CG 3.32Å; D408-E412 PolarHBondContact O-N 3.22Å
409	T	87.3	Confident	83.8	Confident	71 Å²	71	53.1 Å²	53.1	44%	0.436	27%	0.269	S	S	.	.	H	α-helix	trans	-63.2	-45.1	178.5	-54.8	0	0	0	0	111.5	G406 K407 T413 L591	G406-T409 WeakPolarHBondContact O-CB 3.45Å; G406-T409 PolarHBondContact O-N 3.32Å; K407-T409 VanDerWaalsContact C-N 3.34Å; K407-T409 PolarHBondContact O-N 2.75Å; T409-T413 VanDerWaalsContact O-CB 3.3Å; T409-T413 WeakPolarHBondContact O-CB 3.28Å; T409-T413 PolarHBondContact O-N 2.83Å; T409-T413 PolarHBondContact O-OG1 2.83Å; T409-L591 HydrophobicContact CG2-CD2 4.18Å
410	L	88.9	Confident	84	Confident	4 Å²	4	51.1 Å²	51.1	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-62.7	-49.6	178.1	178.6	58.1	0	0	0	111.4	V397 Y401 K407 T413 I414 V588 L591	V397-L410 HydrophobicContact CG1-CD2 4.2Å; V397-L410 HydrophobicContact CG1-CG 4.47Å; Y401-L410 HydrophobicContact CD1-CD2 4.11Å; Y401-L410 HydrophobicContact CD2-CD2 4.12Å; Y401-L410 HydrophobicContact CG-CD2 3.87Å; K407-L410 PolarHBondContact O-N 3.48Å; L410-T413 PolarHBondContact O-N 2.95Å; L410-I414 HydrophobicContact CD1-CD1 3.77Å; L410-I414 HydrophobicContact CD1-CG1 4.2Å; L410-I414 HydrophobicContact CG-CD1 3.85Å; L410-I414 WeakPolarHBondContact O-CG1 3.32Å; L410-I414 PolarHBondContact O-N 3.15Å; L410-V588 HydrophobicContact CD1-CB 4.23Å; L410-V588 HydrophobicContact CD1-CG1 3.76Å; L410-V588 HydrophobicContact CD1-CG2 3.85Å; L410-L591 HydrophobicContact CD1-CB 4.39Å; L410-L591 HydrophobicContact CD1-CD1 4.34Å
411	R	90.5	Very high	84.3	Confident	41 Å²	41	54.5 Å²	54.5	16%	0.155	27%	0.269	C	S	.	.	H	α-helix	trans	-61.2	-49.3	-178.6	-168.9	-150.2	-51.8	111.8	6.6	112.3	S394 K407 D408 T413 I414 K415	S394-R411 WeakPolarHBondContact OG-CD 3.42Å; K407-R411 WeakPolarHBondContact O-CB 3.31Å; K407-R411 PolarHBondContact O-N 3.46Å; D408-R411 PolarHBondContact O-N 2.79Å; D408-R411 IonicContact OD1-CZ 2.79Å; D408-R411 IonicContact OD1-NH1 3.17Å; D408-R411 PolarHBondContact OD1-NH1 3.48Å; D408-R411 IonicContact OD1-NH2 3.06Å; D408-R411 PolarHBondContact OD1-NH2 3.02Å; R411-T413 VanDerWaalsContact C-N 3.29Å; R411-T413 PolarHBondContact O-N 2.9Å; R411-I414 PolarHBondContact O-N 3.22Å; R411-K415 WeakPolarHBondContact O-CG 3.33Å; R411-K415 PolarHBondContact O-N 2.7Å
412	E	92.8	Very high	84.8	Confident	90 Å²	90	55.7 Å²	55.7	42%	0.421	29%	0.287	S	S	.	.	H	α-helix	trans	-68.5	-30.2	180	-61.1	-49.8	125.5	0	0	111.7	D408 K415 F416	D408-E412 WeakPolarHBondContact O-CB 3.35Å; D408-E412 WeakPolarHBondContact O-CG 3.32Å; D408-E412 PolarHBondContact O-N 3.22Å; E412-K415 WeakPolarHBondContact OE1-CE 3.43Å; E412-K415 IonicContact OE1-NZ 2.67Å; E412-K415 PolarHBondContact OE1-NZ 3.16Å; E412-K415 WeakPolarHBondContact OE2-CD 3.22Å; E412-K415 IonicContact OE2-NZ 2.75Å; E412-K415 PolarHBondContact OE2-NZ 3.1Å; E412-F416 VanDerWaalsContact O-CB 3.29Å; E412-F416 WeakPolarHBondContact O-CB 3.22Å; E412-F416 PolarHBondContact O-N 3.25Å
413	T	94.4	Very high	85.5	Confident	33 Å²	33	57.3 Å²	57.3	20%	0.202	29%	0.289	C	S	.	.	H	α-helix	trans	-67.6	-42.8	171.4	-53.3	0	0	0	0	111.7	T409 L410 R411 F416 M417 F583 L587 L591	T409-T413 VanDerWaalsContact O-CB 3.3Å; T409-T413 WeakPolarHBondContact O-CB 3.28Å; T409-T413 PolarHBondContact O-N 2.83Å; T409-T413 PolarHBondContact O-OG1 2.83Å; L410-T413 PolarHBondContact O-N 2.95Å; R411-T413 VanDerWaalsContact C-N 3.29Å; R411-T413 PolarHBondContact O-N 2.9Å; T413-F416 PolarHBondContact O-N 3.4Å; T413-M417 HydrophobicContact CG2-CG 4.31Å; T413-M417 WeakPolarHBondContact O-CB 3.24Å; T413-M417 VanDerWaalsContact O-CG 3.3Å; T413-M417 WeakPolarHBondContact O-CG 3.42Å; T413-M417 PolarHBondContact O-N 3.15Å; T413-F583 HydrophobicContact CG2-CE2 3.83Å; T413-F583 HydrophobicContact CG2-CZ 4.41Å; T413-L587 HydrophobicContact CG2-CD2 4.3Å; T413-L591 HydrophobicContact CG2-CD1 3.91Å
414	I	94.9	Very high	86.7	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-62.5	-47.1	176.2	-67.5	162.5	0	0	0	110.4	V393 V397 L410 R411 F416 M417 Y418 L437 F583 W584	V393-I414 HydrophobicContact CG1-CB 4.14Å; V393-I414 HydrophobicContact CG1-CG2 3.65Å; V397-I414 HydrophobicContact CG2-CD1 3.4Å; V397-I414 VanDerWaalsContact CG2-CD1 3.4Å; L410-I414 HydrophobicContact CD1-CD1 3.77Å; L410-I414 HydrophobicContact CD1-CG1 4.2Å; L410-I414 HydrophobicContact CG-CD1 3.85Å; L410-I414 WeakPolarHBondContact O-CG1 3.32Å; L410-I414 PolarHBondContact O-N 3.15Å; R411-I414 PolarHBondContact O-N 3.22Å; I414-F416 VanDerWaalsContact C-N 3.31Å; I414-F416 PolarHBondContact O-N 2.62Å; I414-M417 PolarHBondContact O-N 2.79Å; I414-Y418 HydrophobicContact CG2-CD2 4.1Å; I414-Y418 WeakPolarHBondContact O-CD2 3.39Å; I414-Y418 PolarHBondContact O-N 2.6Å; I414-L437 HydrophobicContact CG2-CD1 3.61Å; I414-L437 HydrophobicContact CG2-CG 4.4Å; I414-F583 HydrophobicContact CB-CZ 4.46Å; I414-F583 HydrophobicContact CG1-CE1 4.02Å; I414-F583 HydrophobicContact CG1-CZ 3.67Å; I414-W584 HydrophobicContact CD1-CH2 3.7Å; I414-W584 HydrophobicContact CD1-CZ3 3.85Å; I414-W584 HydrophobicContact CG1-CH2 3.78Å; I414-W584 HydrophobicContact CG1-CZ3 4.1Å; I414-W584 HydrophobicContact CG2-CH2 4.04Å; I414-W584 HydrophobicContact CG2-CZ2 4.44Å
415	K	95.7	Very high	88.4	Confident	27 Å²	27	58.5 Å²	58.5	12%	0.117	30%	0.296	C	S	.	.	H	α-helix	trans	-55.7	-45.8	173.6	-70.7	174.2	179	-178.2	0	111.8	F389 D390 V393 R411 E412 M417 Y418 T419	F389-K415 HydrophobicContact CE1-CB 4.48Å; F389-K415 HydrophobicContact CE1-CG 4.44Å; D390-K415 VanDerWaalsContact OD1-CD 3.23Å; D390-K415 WeakPolarHBondContact OD1-CD 3.35Å; D390-K415 WeakPolarHBondContact OD1-CE 3.33Å; D390-K415 IonicContact OD1-NZ 3.88Å; D390-K415 PolarHBondContact OD1-NZ 3.21Å; D390-K415 VanDerWaalsContact OD1-NZ 3.17Å; V393-K415 HydrophobicContact CB-CG 4.08Å; V393-K415 HydrophobicContact CG1-CG 3.71Å; V393-K415 HydrophobicContact CG2-CG 4.38Å; R411-K415 WeakPolarHBondContact O-CG 3.33Å; R411-K415 PolarHBondContact O-N 2.7Å; E412-K415 WeakPolarHBondContact OE1-CE 3.43Å; E412-K415 IonicContact OE1-NZ 2.67Å; E412-K415 PolarHBondContact OE1-NZ 3.16Å; E412-K415 WeakPolarHBondContact OE2-CD 3.22Å; E412-K415 IonicContact OE2-NZ 2.75Å; E412-K415 PolarHBondContact OE2-NZ 3.1Å; K415-M417 PolarHBondContact O-N 2.56Å; K415-Y418 CarbonylContact O-C 3.52Å; K415-Y418 PolarHBondContact O-N 2.75Å; K415-T419 WeakPolarHBondContact O-CB 3.32Å; K415-T419 PolarHBondContact O-N 2.95Å; K415-T419 PolarHBondContact O-OG1 3.29Å
416	F	96.5	Very high	90.3	Very high	115 Å²	115	53.3 Å²	53.3	50%	0.504	27%	0.273	S	S	.	.	H	α-helix	trans	-60.8	-44.3	177.9	173.8	-88.4	0	0	0	112	E412 T413 I414 Y418 W421	E412-F416 VanDerWaalsContact O-CB 3.29Å; E412-F416 WeakPolarHBondContact O-CB 3.22Å; E412-F416 PolarHBondContact O-N 3.25Å; T413-F416 PolarHBondContact O-N 3.4Å; I414-F416 VanDerWaalsContact C-N 3.31Å; I414-F416 PolarHBondContact O-N 2.62Å; F416-Y418 VanDerWaalsContact C-N 3.34Å; F416-Y418 PolarHBondContact O-N 3.3Å; F416-W421 HydrophobicContact CB-CZ2 4.41Å; F416-W421 AromaticContact CD2-CE2 3.68Å; F416-W421 HydrophobicContact CD2-CH2 4.41Å; F416-W421 AromaticContact CD2-CZ2 3.41Å; F416-W421 HydrophobicContact CD2-CZ2 3.41Å; F416-W421 VanDerWaalsContact CD2-CZ2 3.41Å; F416-W421 AromaticContact CD2-NE1 3.67Å; F416-W421 AromaticContact CE2-CE2 3.82Å; F416-W421 AromaticContact CE2-CZ2 3.94Å; F416-W421 HydrophobicContact CE2-CZ2 3.94Å; F416-W421 AromaticContact CE2-NE1 3.67Å; F416-W421 HydrophobicContact CG-CZ2 4.19Å; F416-W421 PolarHBondContact O-NE1 2.83Å
417	M	96.9	Very high	92	Very high	29 Å²	29	54.7 Å²	54.7	14%	0.143	28%	0.277	C	S	.	.	H	α-helix	trans	-70.9	-26.5	-179.6	-71.5	-61.9	-75.3	0	0	113.2	T413 I414 K415 K580 F583	T413-M417 HydrophobicContact CG2-CG 4.31Å; T413-M417 WeakPolarHBondContact O-CB 3.24Å; T413-M417 VanDerWaalsContact O-CG 3.3Å; T413-M417 WeakPolarHBondContact O-CG 3.42Å; T413-M417 PolarHBondContact O-N 3.15Å; I414-M417 PolarHBondContact O-N 2.79Å; K415-M417 PolarHBondContact O-N 2.56Å; M417-K580 PolarHBondContact O-NZ 3.34Å; M417-F583 HydrophobicContact CB-CE1 4.37Å; M417-F583 HydrophobicContact CB-CE2 4.44Å; M417-F583 HydrophobicContact CB-CZ 4.3Å; M417-F583 HydrophobicContact CE-CB 4.01Å; M417-F583 HydrophobicContact CE-CD2 4.03Å; M417-F583 HydrophobicContact CE-CG 4.03Å; M417-F583 HydrophobicContact CG-CD2 3.85Å; M417-F583 HydrophobicContact CG-CE2 3.73Å; M417-F583 HydrophobicContact CG-CG 4.31Å; M417-F583 HydrophobicContact CG-CZ 4.07Å
418	Y	97.1	Very high	93.3	Very high	4 Å²	4	58 Å²	58	2%	0.016	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	12.3	178.6	-74.7	-84.1	0	0	0	114.3	F389 I414 K415 F416 T433 A436 L437 D440 K580 F583 W584	F389-Y418 WeakPolarHBondContact CZ-O 3.45Å; I414-Y418 HydrophobicContact CG2-CD2 4.1Å; I414-Y418 WeakPolarHBondContact O-CD2 3.39Å; I414-Y418 PolarHBondContact O-N 2.6Å; K415-Y418 CarbonylContact O-C 3.52Å; K415-Y418 PolarHBondContact O-N 2.75Å; F416-Y418 VanDerWaalsContact C-N 3.34Å; F416-Y418 PolarHBondContact O-N 3.3Å; Y418-T433 WeakPolarHBondContact CD1-O 3.3Å; Y418-T433 WeakPolarHBondContact O-CB 3.49Å; Y418-T433 WeakPolarHBondContact O-CG2 3.45Å; Y418-T433 PolarHBondContact O-OG1 2.96Å; Y418-A436 HydrophobicContact CE1-CB 4.26Å; Y418-L437 HydrophobicContact CD1-CB 3.73Å; Y418-L437 HydrophobicContact CD2-CB 4.23Å; Y418-L437 HydrophobicContact CD2-CD1 3.99Å; Y418-L437 HydrophobicContact CD2-CG 4.13Å; Y418-L437 VanDerWaalsContact CE1-CA 3.43Å; Y418-L437 HydrophobicContact CE1-CB 3.85Å; Y418-L437 HydrophobicContact CE2-CB 4.34Å; Y418-L437 HydrophobicContact CE2-CG 4.24Å; Y418-L437 HydrophobicContact CG-CB 3.93Å; Y418-L437 HydrophobicContact CG-CD1 4.05Å; Y418-L437 HydrophobicContact CG-CG 4.27Å; Y418-D440 VanDerWaalsContact CE1-OD2 3.28Å; Y418-D440 WeakPolarHBondContact CE1-OD2 3.49Å; Y418-D440 VanDerWaalsContact OH-CB 3.25Å; Y418-D440 WeakPolarHBondContact OH-CB 3.21Å; Y418-D440 VanDerWaalsContact OH-CG 3.3Å; Y418-D440 PolarHBondContact OH-OD2 2.95Å; Y418-K580 HydrophobicContact CE1-CD 4.24Å; Y418-F583 HydrophobicContact CE2-CD1 4.35Å; Y418-F583 HydrophobicContact CE2-CE1 4.19Å; Y418-W584 AromaticContact CE2-CZ2 3.73Å; Y418-W584 HydrophobicContact CE2-CZ2 3.73Å; Y418-W584 AromaticContact CE2-NE1 3.97Å; Y418-W584 AromaticContact CZ-NE1 3.83Å; Y418-W584 PolarHBondContact OH-NE1 3.45Å
419	T	96.6	Very high	94.1	Very high	25 Å²	25	53.7 Å²	53.7	15%	0.153	27%	0.271	C	S	.	.	S	Bend	trans	-91.5	127.3	166.2	-62.7	0	0	0	0	109.6	K415 W421 R424	K415-T419 WeakPolarHBondContact O-CB 3.32Å; K415-T419 PolarHBondContact O-N 2.95Å; K415-T419 PolarHBondContact O-OG1 3.29Å; T419-W421 HydrophobicContact CG2-CD2 3.86Å; T419-W421 HydrophobicContact CG2-CE3 4.1Å; T419-W421 HydrophobicContact CG2-CG 4.37Å; T419-W421 HydrophobicContact CG2-CH2 4.18Å; T419-W421 HydrophobicContact CG2-CZ2 3.92Å; T419-W421 HydrophobicContact CG2-CZ3 4.26Å; T419-W421 VanDerWaalsContact O-CD1 3.26Å; T419-W421 PolarHBondContact O-N 2.89Å; T419-W421 VanDerWaalsContact O-N 3.14Å; T419-R424 HydrophobicContact CG2-CB 4.37Å; T419-R424 HydrophobicContact CG2-CG 3.95Å
420	D	94.6	Very high	94.6	Very high	7 Å²	7	52.4 Å²	52.4	4%	0.037	26%	0.258	C	S	.	.			trans	-74.8	99.2	165	-175.1	-15.2	0	0	0	108.7	A422 D423 R424 T429 I763	D420-A422 PolarHBondContact O-N 3.29Å; D420-A422 WeakPolarHBondContact OD1-CA 3.47Å; D420-A422 WeakPolarHBondContact OD1-CB 3.46Å; D420-A422 PolarHBondContact OD1-N 3.27Å; D420-D423 CarbonylContact O-C 3.54Å; D420-D423 PolarHBondContact O-N 2.02Å; D420-D423 VanDerWaalsContact O-N 3.16Å; D420-D423 PolarHBondContact OD1-N 3.46Å; D420-R424 WeakPolarHBondContact O-CA 3.39Å; D420-R424 PolarHBondContact O-N 3.47Å; D420-T429 HydrophobicContact CB-CG2 3.43Å; D420-T429 VanDerWaalsContact CB-CG2 3.43Å; D420-I763 HydrophobicContact CB-CG2 3.83Å; D420-I763 VanDerWaalsContact CG-CG2 3.48Å
421	W	94.4	Very high	94.9	Very high	103 Å²	103	52.5 Å²	52.5	39%	0.39	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-11.6	-179.9	-65	100.4	0	0	0	114.3	F416 T419 M766	F416-W421 HydrophobicContact CB-CZ2 4.41Å; F416-W421 AromaticContact CD2-CE2 3.68Å; F416-W421 HydrophobicContact CD2-CH2 4.41Å; F416-W421 AromaticContact CD2-CZ2 3.41Å; F416-W421 HydrophobicContact CD2-CZ2 3.41Å; F416-W421 VanDerWaalsContact CD2-CZ2 3.41Å; F416-W421 AromaticContact CD2-NE1 3.67Å; F416-W421 AromaticContact CE2-CE2 3.82Å; F416-W421 AromaticContact CE2-CZ2 3.94Å; F416-W421 HydrophobicContact CE2-CZ2 3.94Å; F416-W421 AromaticContact CE2-NE1 3.67Å; F416-W421 HydrophobicContact CG-CZ2 4.19Å; F416-W421 PolarHBondContact O-NE1 2.83Å; T419-W421 HydrophobicContact CG2-CD2 3.86Å; T419-W421 HydrophobicContact CG2-CE3 4.1Å; T419-W421 HydrophobicContact CG2-CG 4.37Å; T419-W421 HydrophobicContact CG2-CH2 4.18Å; T419-W421 HydrophobicContact CG2-CZ2 3.92Å; T419-W421 HydrophobicContact CG2-CZ3 4.26Å; T419-W421 VanDerWaalsContact O-CD1 3.26Å; T419-W421 PolarHBondContact O-N 2.89Å; T419-W421 VanDerWaalsContact O-N 3.14Å; W421-M766 HydrophobicContact CB-CE 4.3Å
422	A	94.5	Very high	95.2	Very high	67 Å²	67	52.1 Å²	52.1	55%	0.554	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-16.9	173.2	0	0	0	0	0	113	D420 P764	D420-A422 PolarHBondContact O-N 3.29Å; D420-A422 WeakPolarHBondContact OD1-CA 3.47Å; D420-A422 WeakPolarHBondContact OD1-CB 3.46Å; D420-A422 PolarHBondContact OD1-N 3.27Å; A422-P764 HydrophobicContact CB-CG 4.16Å
423	D	93.6	Very high	95.4	Very high	63 Å²	63	48.2 Å²	48.2	34%	0.337	24%	0.24	S	C	.	.	S	Bend	trans	-147	43.2	-177.3	-163.9	25.9	0	0	0	112.2	D420 D425 N426 T429	D420-D423 CarbonylContact O-C 3.54Å; D420-D423 PolarHBondContact O-N 2.02Å; D420-D423 VanDerWaalsContact O-N 3.16Å; D420-D423 PolarHBondContact OD1-N 3.46Å; D423-D425 VanDerWaalsContact C-N 3.3Å; D423-D425 PolarHBondContact O-N 3.2Å; D423-D425 VanDerWaalsContact O-N 3.16Å; D423-N426 VanDerWaalsContact CG-CB 3.49Å; D423-N426 WeakPolarHBondContact O-CB 3.11Å; D423-N426 PolarHBondContact O-N 3.02Å; D423-N426 VanDerWaalsContact OD2-CB 3.28Å; D423-N426 WeakPolarHBondContact OD2-CB 3.44Å; D423-N426 PolarHBondContact OD2-ND2 3.05Å; D423-T429 PolarHBondContact OD2-OG1 2.81Å
424	R	91.8	Very high	95.6	Very high	138 Å²	138	46.6 Å²	46.6	52%	0.521	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-38.8	-165.3	173.7	178.5	173.8	-95.5	5.8	115.1	T419 D420	T419-R424 HydrophobicContact CG2-CB 4.37Å; T419-R424 HydrophobicContact CG2-CG 3.95Å; D420-R424 WeakPolarHBondContact O-CA 3.39Å; D420-R424 PolarHBondContact O-N 3.47Å
425	D	92.4	Very high	95.7	Very high	113 Å²	113	47.3 Å²	47.3	60%	0.604	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-6.4	-170	-58.3	-39.6	0	0	0	112.5	D423 P427 R430	D423-D425 VanDerWaalsContact C-N 3.3Å; D423-D425 PolarHBondContact O-N 3.2Å; D423-D425 VanDerWaalsContact O-N 3.16Å; D425-P427 WeakPolarHBondContact O-CD 3.26Å; D425-R430 PolarHBondContact O-NH1 3.45Å
426	N	95.9	Very high	95.8	Very high	45 Å²	45	46.4 Å²	46.4	24%	0.241	23%	0.231	C	C	.	.			trans	-70.3	117.4	-179.2	-176.7	-19.6	0	0	0	112.6	D423 E428 T429 R430	D423-N426 VanDerWaalsContact CG-CB 3.49Å; D423-N426 WeakPolarHBondContact O-CB 3.11Å; D423-N426 PolarHBondContact O-N 3.02Å; D423-N426 VanDerWaalsContact OD2-CB 3.28Å; D423-N426 WeakPolarHBondContact OD2-CB 3.44Å; D423-N426 PolarHBondContact OD2-ND2 3.05Å; N426-E428 PolarHBondContact O-N 3.3Å; N426-E428 PolarHBondContact OD1-N 2.65Å; N426-T429 PolarHBondContact ND2-OG1 2.99Å; N426-T429 PolarHBondContact O-N 3.42Å; N426-T429 PolarHBondContact OD1-N 2.67Å; N426-R430 PolarHBondContact O-N 3.19Å; N426-R430 VanDerWaalsContact O-N 3.11Å
427	P	96.4	Very high	95.9	Very high	53 Å²	53	40.9 Å²	40.9	34%	0.344	21%	0.207	S	C	.	.	H	α-helix	trans	-63.1	-38.1	180	-22.2	34.2	0	0	0	114.7	V384 D425 T429 R430 R431	V384-P427 PolarHBondContact N-O 2.91Å; V384-P427 VanDerWaalsContact N-O 3.12Å; D425-P427 WeakPolarHBondContact O-CD 3.26Å; P427-T429 VanDerWaalsContact C-N 3.32Å; P427-T429 PolarHBondContact O-N 3.19Å; P427-R430 PolarHBondContact O-N 2.95Å; P427-R431 PolarHBondContact O-N 2.93Å
428	E	95.8	Very high	95.9	Very high	84 Å²	84	39.6 Å²	39.6	39%	0.393	20%	0.201	S	C	.	.	H	α-helix	trans	-64.6	-39.7	177	-71.4	-173.3	-132.4	0	0	111	N426 R431 K432	N426-E428 PolarHBondContact O-N 3.3Å; N426-E428 PolarHBondContact OD1-N 2.65Å; E428-R431 WeakPolarHBondContact O-CB 3.34Å; E428-R431 PolarHBondContact O-N 3.46Å; E428-K432 WeakPolarHBondContact O-CG 3.06Å; E428-K432 PolarHBondContact O-N 3.23Å
429	T	95.4	Very high	96	Very high	15 Å²	15	39.4 Å²	39.4	9%	0.092	20%	0.2	C	C	.	.	H	α-helix	trans	-67.1	-41	179.1	-58.4	0	0	0	0	110.6	D420 D423 N426 P427 R431 K432 T433 I763	D420-T429 HydrophobicContact CB-CG2 3.43Å; D420-T429 VanDerWaalsContact CB-CG2 3.43Å; D423-T429 PolarHBondContact OD2-OG1 2.81Å; N426-T429 PolarHBondContact ND2-OG1 2.99Å; N426-T429 PolarHBondContact O-N 3.42Å; N426-T429 PolarHBondContact OD1-N 2.67Å; P427-T429 VanDerWaalsContact C-N 3.32Å; P427-T429 PolarHBondContact O-N 3.19Å; T429-R431 PolarHBondContact O-N 3.41Å; T429-K432 WeakPolarHBondContact O-CB 3.28Å; T429-K432 PolarHBondContact O-N 2.96Å; T429-T433 PolarHBondContact O-N 3.23Å; T429-T433 PolarHBondContact O-OG1 3.05Å; T429-I763 HydrophobicContact CG2-CD1 4.5Å
430	R	96.6	Very high	96.1	Very high	45 Å²	45	38.3 Å²	38.3	17%	0.17	19%	0.194	C	C	.	.	H	α-helix	trans	-60.1	-41.7	171.3	-71.7	-166.3	-60.9	-106.1	-4.7	112.7	V384 F389 D425 N426 P427 T433 L434	V384-R430 VanDerWaalsContact O-CZ 3.25Å; V384-R430 PolarHBondContact O-NE 2.75Å; V384-R430 PolarHBondContact O-NH2 3.47Å; F389-R430 HydrophobicContact CD2-CB 4.04Å; F389-R430 HydrophobicContact CD2-CG 4.29Å; D425-R430 PolarHBondContact O-NH1 3.45Å; N426-R430 PolarHBondContact O-N 3.19Å; N426-R430 VanDerWaalsContact O-N 3.11Å; P427-R430 PolarHBondContact O-N 2.95Å; R430-T433 PolarHBondContact O-N 2.99Å; R430-T433 PolarHBondContact O-OG1 3.01Å; R430-L434 WeakPolarHBondContact O-CG 3.11Å; R430-L434 PolarHBondContact O-N 3.39Å
431	R	96.8	Very high	96.2	Very high	5 Å²	5	39.4 Å²	39.4	2%	0.019	20%	0.198	C	C	.	.	H	α-helix	trans	-58.9	-49.9	174.4	-170.8	-163.6	74.6	-136.9	0.8	111.2	V374 V378 D382 V384 P427 E428 T429 T433 L434 V435 W478	V374-R431 HydrophobicContact CG2-CG 4.16Å; V378-R431 HydrophobicContact CG2-CG 3.69Å; D382-R431 WeakPolarHBondContact O-CD 3.45Å; D382-R431 PolarHBondContact O-NH1 2.93Å; V384-R431 HydrophobicContact CB-CB 4.29Å; V384-R431 HydrophobicContact CG2-CB 3.66Å; V384-R431 HydrophobicContact CG2-CG 3.76Å; P427-R431 PolarHBondContact O-N 2.93Å; E428-R431 WeakPolarHBondContact O-CB 3.34Å; E428-R431 PolarHBondContact O-N 3.46Å; T429-R431 PolarHBondContact O-N 3.41Å; R431-T433 VanDerWaalsContact C-N 3.32Å; R431-T433 PolarHBondContact O-N 3.48Å; R431-L434 PolarHBondContact O-N 2.8Å; R431-V435 PolarHBondContact O-N 3.44Å; R431-W478 HydrophobicContact CG-CH2 4.49Å; R431-W478 VanDerWaalsContact NH2-CE3 3.26Å
432	K	96.3	Very high	96.3	Very high	33 Å²	33	34.5 Å²	34.5	14%	0.143	18%	0.18	C	C	.	.	H	α-helix	trans	-57.9	-42.2	177.9	-76.7	177.1	177.6	-179.4	0	112.2	E428 T429 V435 A436 R758 P760	E428-K432 WeakPolarHBondContact O-CG 3.06Å; E428-K432 PolarHBondContact O-N 3.23Å; T429-K432 WeakPolarHBondContact O-CB 3.28Å; T429-K432 PolarHBondContact O-N 2.96Å; K432-V435 PolarHBondContact O-N 2.72Å; K432-A436 VanDerWaalsContact O-CB 3.28Å; K432-A436 WeakPolarHBondContact O-CB 3.23Å; K432-A436 PolarHBondContact O-N 3.44Å; K432-R758 PolarHBondContact NZ-O 2.63Å; K432-R758 VanDerWaalsContact NZ-O 3.11Å; K432-P760 HydrophobicContact CB-CG 4.3Å
433	T	97.2	Very high	96.5	Very high	8 Å²	8	31.4 Å²	31.4	5%	0.049	15%	0.154	C	C	.	.	H	α-helix	trans	-74.2	-25.9	-179.4	59.1	0	0	0	0	113.5	F389 Y418 T429 R430 R431 L437 I763	F389-T433 WeakPolarHBondContact CE2-OG1 3.36Å; Y418-T433 WeakPolarHBondContact CD1-O 3.3Å; Y418-T433 WeakPolarHBondContact O-CB 3.49Å; Y418-T433 WeakPolarHBondContact O-CG2 3.45Å; Y418-T433 PolarHBondContact O-OG1 2.96Å; T429-T433 PolarHBondContact O-N 3.23Å; T429-T433 PolarHBondContact O-OG1 3.05Å; R430-T433 PolarHBondContact O-N 2.99Å; R430-T433 PolarHBondContact O-OG1 3.01Å; R431-T433 VanDerWaalsContact C-N 3.32Å; R431-T433 PolarHBondContact O-N 3.48Å; T433-L437 WeakPolarHBondContact O-CB 3.38Å; T433-L437 PolarHBondContact O-N 3.3Å; T433-I763 HydrophobicContact CG2-CD1 3.62Å
434	L	97.2	Very high	96.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-70.9	-43.8	169	-71.5	173.2	0	0	0	113	F373 V374 V384 F389 V393 R430 R431 A436 L437 F438	F373-L434 HydrophobicContact CD1-CB 4.49Å; F373-L434 HydrophobicContact CE1-CB 4.22Å; F373-L434 HydrophobicContact CE1-CD2 4.3Å; V374-L434 HydrophobicContact CG1-CB 3.53Å; V374-L434 HydrophobicContact CG1-CD1 4.37Å; V384-L434 HydrophobicContact CB-CD1 4.39Å; V384-L434 HydrophobicContact CG1-CD1 3.72Å; V384-L434 HydrophobicContact CG2-CD1 4.38Å; F389-L434 HydrophobicContact CB-CD1 4.42Å; F389-L434 HydrophobicContact CD2-CD1 3.92Å; F389-L434 HydrophobicContact CD2-CD2 3.56Å; F389-L434 HydrophobicContact CD2-CG 3.5Å; F389-L434 VanDerWaalsContact CD2-CG 3.5Å; F389-L434 HydrophobicContact CE2-CD2 3.71Å; F389-L434 HydrophobicContact CE2-CG 3.83Å; F389-L434 HydrophobicContact CG-CD2 4.22Å; F389-L434 HydrophobicContact CG-CG 4.44Å; V393-L434 HydrophobicContact CG2-CD2 3.91Å; R430-L434 WeakPolarHBondContact O-CG 3.11Å; R430-L434 PolarHBondContact O-N 3.39Å; R431-L434 PolarHBondContact O-N 2.8Å; L434-A436 VanDerWaalsContact C-N 3.26Å; L434-A436 PolarHBondContact O-N 2.81Å; L434-L437 PolarHBondContact O-N 3.06Å; L434-F438 PolarHBondContact O-N 3.03Å; L434-F438 VanDerWaalsContact O-N 3.16Å
435	V	97.6	Very high	97.1	Very high	14 Å²	14	23.5 Å²	23.5	9%	0.085	12%	0.121	C	C	.	.	H	α-helix	trans	-57.9	-45.8	172.3	173.9	0	0	0	0	109.4	V374 R431 K432 F438 T439	V374-V435 HydrophobicContact CB-CG2 4.27Å; V374-V435 HydrophobicContact CG1-CG2 3.74Å; V374-V435 HydrophobicContact CG2-CG2 3.48Å; V374-V435 VanDerWaalsContact CG2-CG2 3.48Å; R431-V435 PolarHBondContact O-N 3.44Å; K432-V435 PolarHBondContact O-N 2.72Å; V435-F438 PolarHBondContact O-N 2.96Å; V435-T439 WeakPolarHBondContact O-CB 3.44Å; V435-T439 PolarHBondContact O-N 2.83Å; V435-T439 PolarHBondContact O-OG1 2.94Å
436	A	98	Very high	97.3	Very high	8 Å²	8	18.3 Å²	18.3	7%	0.066	9%	0.093	C	C	.	.	H	α-helix	trans	-59.3	-44.7	175.4	0	0	0	0	0	112.9	Y418 K432 L434 F438 T439 D440 P760	Y418-A436 HydrophobicContact CE1-CB 4.26Å; K432-A436 VanDerWaalsContact O-CB 3.28Å; K432-A436 WeakPolarHBondContact O-CB 3.23Å; K432-A436 PolarHBondContact O-N 3.44Å; L434-A436 VanDerWaalsContact C-N 3.26Å; L434-A436 PolarHBondContact O-N 2.81Å; A436-F438 PolarHBondContact O-N 3.15Å; A436-T439 PolarHBondContact O-N 3.24Å; A436-D440 WeakPolarHBondContact O-CB 3.22Å; A436-D440 PolarHBondContact O-N 3.44Å; A436-D440 VanDerWaalsContact O-OD2 3.13Å; A436-P760 HydrophobicContact CB-CB 4.35Å
437	L	98.1	Very high	97.4	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-56.6	-49.8	178.6	179.1	161.3	0	0	0	111.8	V393 F396 I414 Y418 T433 L434 H441 W584	V393-L437 HydrophobicContact CG1-CD1 4.4Å; V393-L437 HydrophobicContact CG2-CD1 3.8Å; F396-L437 HydrophobicContact CD1-CD2 3.71Å; F396-L437 HydrophobicContact CD2-CD2 3.89Å; F396-L437 HydrophobicContact CE1-CD2 3.74Å; F396-L437 HydrophobicContact CE2-CD2 3.91Å; F396-L437 HydrophobicContact CG-CD2 3.78Å; F396-L437 HydrophobicContact CZ-CD2 3.83Å; I414-L437 HydrophobicContact CG2-CD1 3.61Å; I414-L437 HydrophobicContact CG2-CG 4.4Å; Y418-L437 HydrophobicContact CD1-CB 3.73Å; Y418-L437 HydrophobicContact CD2-CB 4.23Å; Y418-L437 HydrophobicContact CD2-CD1 3.99Å; Y418-L437 HydrophobicContact CD2-CG 4.13Å; Y418-L437 VanDerWaalsContact CE1-CA 3.43Å; Y418-L437 HydrophobicContact CE1-CB 3.85Å; Y418-L437 HydrophobicContact CE2-CB 4.34Å; Y418-L437 HydrophobicContact CE2-CG 4.24Å; Y418-L437 HydrophobicContact CG-CB 3.93Å; Y418-L437 HydrophobicContact CG-CD1 4.05Å; Y418-L437 HydrophobicContact CG-CG 4.27Å; T433-L437 WeakPolarHBondContact O-CB 3.38Å; T433-L437 PolarHBondContact O-N 3.3Å; L434-L437 PolarHBondContact O-N 3.06Å; L437-H441 PolarHBondContact O-N 3.35Å; L437-W584 HydrophobicContact CG-CZ2 4.32Å
438	F	97.7	Very high	97.5	Very high	1 Å²	1	13.8 Å²	13.8	0%	0.004	7%	0.066	C	C	.	.	H	α-helix	trans	-71.2	-38.8	-179.1	-161.6	-107.6	0	0	0	111.9	V117 W281 Y330 F373 F396 L434 V435 A436 Q442 W443	V117-F438 HydrophobicContact CB-CE1 4.17Å; V117-F438 HydrophobicContact CB-CZ 4.3Å; V117-F438 HydrophobicContact CG2-CZ 4.48Å; W281-F438 HydrophobicContact CH2-CE1 4.14Å; W281-F438 HydrophobicContact CH2-CZ 4.28Å; W281-F438 HydrophobicContact CZ3-CE1 4.21Å; W281-F438 AromaticContact CZ3-CZ 3.94Å; W281-F438 HydrophobicContact CZ3-CZ 3.94Å; Y330-F438 AromaticContact CD1-CE2 3.56Å; Y330-F438 HydrophobicContact CD1-CE2 3.56Å; Y330-F438 AromaticContact CD1-CZ 3.54Å; Y330-F438 HydrophobicContact CD1-CZ 3.54Å; Y330-F438 HydrophobicContact CE1-CD2 4.47Å; Y330-F438 AromaticContact CE1-CE2 3.32Å; Y330-F438 HydrophobicContact CE1-CE2 3.32Å; Y330-F438 AromaticContact CE1-CZ 3.52Å; Y330-F438 HydrophobicContact CE1-CZ 3.52Å; Y330-F438 HydrophobicContact CE2-CE2 4.49Å; Y330-F438 HydrophobicContact CG-CE2 4.25Å; Y330-F438 HydrophobicContact CG-CZ 4.49Å; Y330-F438 AromaticContact CZ-CE2 3.83Å; F373-F438 HydrophobicContact CB-CB 3.86Å; F373-F438 HydrophobicContact CB-CD1 3.59Å; F373-F438 HydrophobicContact CB-CD2 4.24Å; F373-F438 HydrophobicContact CB-CE1 4.19Å; F373-F438 HydrophobicContact CB-CG 3.62Å; F373-F438 HydrophobicContact CD1-CB 3.59Å; F373-F438 HydrophobicContact CD1-CD2 4.36Å; F373-F438 HydrophobicContact CD1-CG 4.04Å; F373-F438 HydrophobicContact CD2-CB 4.26Å; F373-F438 HydrophobicContact CD2-CD1 4.38Å; F373-F438 AromaticContact CD2-CD2 3.52Å; F373-F438 HydrophobicContact CD2-CD2 3.52Å; F373-F438 AromaticContact CD2-CE2 3.92Å; F373-F438 HydrophobicContact CD2-CE2 3.92Å; F373-F438 AromaticContact CD2-CG 3.8Å; F373-F438 HydrophobicContact CD2-CG 3.8Å; F373-F438 HydrophobicContact CD2-CZ 4.49Å; F373-F438 HydrophobicContact CE1-CB 4.15Å; F373-F438 AromaticContact CE2-CD2 3.88Å; F373-F438 HydrophobicContact CE2-CD2 3.88Å; F373-F438 HydrophobicContact CE2-CE2 4.36Å; F373-F438 HydrophobicContact CE2-CG 4.47Å; F373-F438 HydrophobicContact CG-CB 3.65Å; F373-F438 HydrophobicContact CG-CD1 4.06Å; F373-F438 AromaticContact CG-CD2 3.8Å; F373-F438 HydrophobicContact CG-CD2 3.8Å; F373-F438 HydrophobicContact CG-CE2 4.5Å; F373-F438 AromaticContact CG-CG 3.56Å; F373-F438 HydrophobicContact CG-CG 3.56Å; F373-F438 HydrophobicContact CZ-CD2 4.43Å; F396-F438 AromaticContact CD2-CD2 3.73Å; F396-F438 HydrophobicContact CD2-CD2 3.73Å; F396-F438 HydrophobicContact CD2-CE2 4.08Å; F396-F438 AromaticContact CE2-CD2 3.56Å; F396-F438 HydrophobicContact CE2-CD2 3.56Å; F396-F438 AromaticContact CE2-CE2 3.93Å; F396-F438 HydrophobicContact CE2-CE2 3.93Å; L434-F438 PolarHBondContact O-N 3.03Å; L434-F438 VanDerWaalsContact O-N 3.16Å; V435-F438 PolarHBondContact O-N 2.96Å; A436-F438 PolarHBondContact O-N 3.15Å; F438-Q442 HydrophobicContact CD1-CG 4.26Å; F438-Q442 HydrophobicContact CD2-CG 4.07Å; F438-Q442 HydrophobicContact CE1-CG 3.96Å; F438-Q442 HydrophobicContact CE2-CG 3.73Å; F438-Q442 HydrophobicContact CG-CG 4.31Å; F438-Q442 HydrophobicContact CZ-CG 3.68Å; F438-Q442 WeakPolarHBondContact O-CB 3.27Å; F438-Q442 WeakPolarHBondContact O-CG 3.37Å; F438-Q442 PolarHBondContact O-N 3.16Å; F438-Q442 VanDerWaalsContact O-N 3.08Å; F438-W443 HydrophobicContact CD1-CH2 4.14Å; F438-W443 AromaticContact CD1-CZ3 3.65Å; F438-W443 HydrophobicContact CD1-CZ3 3.65Å; F438-W443 AromaticContact CE1-CH2 3.94Å; F438-W443 HydrophobicContact CE1-CH2 3.94Å; F438-W443 AromaticContact CE1-CZ3 3.82Å; F438-W443 HydrophobicContact CE1-CZ3 3.82Å
439	T	98.4	Very high	97.6	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.006	5%	0.049	C	C	.	.	H	α-helix	trans	-59.6	-47.1	174.2	-59	0	0	0	0	111.3	E369 G370 V435 A436 W443 V444	E369-T439 HydrophobicContact CB-CG2 3.92Å; E369-T439 HydrophobicContact CG-CG2 3.84Å; E369-T439 PolarHBondContact N-OG1 2.86Å; G370-T439 PolarHBondContact N-OG1 2.84Å; V435-T439 WeakPolarHBondContact O-CB 3.44Å; V435-T439 PolarHBondContact O-N 2.83Å; V435-T439 PolarHBondContact O-OG1 2.94Å; A436-T439 PolarHBondContact O-N 3.24Å; T439-W443 PolarHBondContact O-N 3.01Å; T439-W443 VanDerWaalsContact O-N 3.15Å; T439-V444 HydrophobicContact CG2-CG2 3.88Å; T439-V444 PolarHBondContact O-N 2.86Å
440	D	98.4	Very high	97.7	Very high	2 Å²	2	9.5 Å²	9.5	1%	0.011	5%	0.046	C	C	.	.	I	π-helix	trans	-63.4	-47.4	-176.1	-73.4	-25.2	0	0	0	112.1	Y418 A436 V444 E445 R577 K580	Y418-D440 VanDerWaalsContact CE1-OD2 3.28Å; Y418-D440 WeakPolarHBondContact CE1-OD2 3.49Å; Y418-D440 VanDerWaalsContact OH-CB 3.25Å; Y418-D440 WeakPolarHBondContact OH-CB 3.21Å; Y418-D440 VanDerWaalsContact OH-CG 3.3Å; Y418-D440 PolarHBondContact OH-OD2 2.95Å; A436-D440 WeakPolarHBondContact O-CB 3.22Å; A436-D440 PolarHBondContact O-N 3.44Å; A436-D440 VanDerWaalsContact O-OD2 3.13Å; D440-V444 PolarHBondContact O-N 2.66Å; D440-E445 WeakPolarHBondContact O-CB 3.31Å; D440-E445 PolarHBondContact O-N 3.4Å; D440-R577 IonicContact OD1-CZ 3.06Å; D440-R577 IonicContact OD1-NE 2.71Å; D440-R577 PolarHBondContact OD1-NE 3.26Å; D440-R577 IonicContact OD1-NH2 3.7Å; D440-R577 PolarHBondContact OD1-NH2 2.66Å; D440-R577 IonicContact OD2-CZ 3.48Å; D440-R577 IonicContact OD2-NE 3.4Å; D440-R577 IonicContact OD2-NH2 3.66Å; D440-R577 PolarHBondContact OD2-NH2 3.15Å; D440-K580 WeakPolarHBondContact OD2-CB 3.3Å
441	H	97.8	Very high	97.8	Very high	29 Å²	29	7.3 Å²	7.3	13%	0.134	4%	0.038	C	C	.	.	I	π-helix	trans	-76.2	-44	-176.4	-175.7	-81.2	0	0	0	113.1	F396 Y401 L437 P446 W584	F396-H441 HydrophobicContact CE2-CB 4.48Å; F396-H441 HydrophobicContact CZ-CB 3.71Å; F396-H441 AromaticContact CZ-CD2 3.94Å; F396-H441 AromaticContact CZ-CG 3.57Å; F396-H441 AromaticContact CZ-ND1 3.83Å; Y401-H441 AromaticContact CE2-NE2 3.98Å; Y401-H441 AromaticContact CZ-NE2 3.71Å; Y401-H441 PolarHBondContact OH-CD2 2.84Å; Y401-H441 PolarHBondContact OH-NE2 3.33Å; L437-H441 PolarHBondContact O-N 3.35Å; H441-P446 VanDerWaalsContact O-CD 3.25Å; H441-P446 WeakPolarHBondContact O-CD 3.48Å; H441-P446 WeakPolarHBondContact O-CG 3.36Å; H441-W584 HydrophobicContact CB-CD2 4.43Å; H441-W584 HydrophobicContact CB-CZ2 4.3Å; H441-W584 AromaticContact CD2-CD2 3.88Å; H441-W584 AromaticContact CD2-CE3 3.55Å; H441-W584 AromaticContact CD2-CZ3 3.7Å
442	Q	97	Very high	97.8	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.039	C	C	.	.	I	π-helix	trans	-82.3	-25.8	-172.5	-63.4	-57.8	112.7	0	0	113.5	S279 S280 W281 F438	S279-Q442 PolarHBondContact OG-O 3.22Å; S280-Q442 PolarHBondContact OG-NE2 2.93Å; W281-Q442 HydrophobicContact CH2-CB 3.62Å; W281-Q442 HydrophobicContact CH2-CG 3.77Å; W281-Q442 HydrophobicContact CZ2-CB 3.7Å; W281-Q442 HydrophobicContact CZ2-CG 4.28Å; W281-Q442 HydrophobicContact CZ3-CB 4.34Å; W281-Q442 HydrophobicContact CZ3-CG 4.03Å; W281-Q442 VanDerWaalsContact CZ3-NE2 3.3Å; F438-Q442 HydrophobicContact CD1-CG 4.26Å; F438-Q442 HydrophobicContact CD2-CG 4.07Å; F438-Q442 HydrophobicContact CE1-CG 3.96Å; F438-Q442 HydrophobicContact CE2-CG 3.73Å; F438-Q442 HydrophobicContact CG-CG 4.31Å; F438-Q442 HydrophobicContact CZ-CG 3.68Å; F438-Q442 WeakPolarHBondContact O-CB 3.27Å; F438-Q442 WeakPolarHBondContact O-CG 3.37Å; F438-Q442 PolarHBondContact O-N 3.16Å; F438-Q442 VanDerWaalsContact O-N 3.08Å
443	W	98.3	Very high	97.8	Very high	2 Å²	2	6.2 Å²	6.2	1%	0.008	3%	0.034	C	C	.	.	I	π-helix	trans	-128	-55	-175	-65.9	-87.7	0	0	0	114.1	S274 W281 V365 E369 F438 T439 S447 H483	S274-W443 PolarHBondContact O-NE1 3.16Å; W281-W443 HydrophobicContact CH2-CE3 4.5Å; W281-W443 AromaticContact CH2-CH2 3.55Å; W281-W443 HydrophobicContact CH2-CH2 3.55Å; W281-W443 AromaticContact CH2-CZ2 3.54Å; W281-W443 HydrophobicContact CH2-CZ2 3.54Å; W281-W443 HydrophobicContact CH2-CZ3 4.03Å; W281-W443 HydrophobicContact CZ2-CD2 4.19Å; W281-W443 AromaticContact CZ2-CE2 3.65Å; W281-W443 HydrophobicContact CZ2-CH2 4.04Å; W281-W443 AromaticContact CZ2-CZ2 3.58Å; W281-W443 HydrophobicContact CZ2-CZ2 3.58Å; W281-W443 HydrophobicContact CZ2-CZ3 4.47Å; V365-W443 HydrophobicContact CG1-CB 4.05Å; E369-W443 HydrophobicContact CB-CD2 3.45Å; E369-W443 VanDerWaalsContact CB-CD2 3.45Å; E369-W443 HydrophobicContact CB-CE3 3.32Å; E369-W443 HydrophobicContact CB-CG 4.06Å; E369-W443 HydrophobicContact CB-CH2 3.86Å; E369-W443 HydrophobicContact CB-CZ2 3.99Å; E369-W443 HydrophobicContact CB-CZ3 3.54Å; E369-W443 HydrophobicContact CG-CB 3.99Å; E369-W443 HydrophobicContact CG-CD2 3.72Å; E369-W443 HydrophobicContact CG-CE3 4Å; E369-W443 HydrophobicContact CG-CG 3.76Å; F438-W443 HydrophobicContact CD1-CH2 4.14Å; F438-W443 AromaticContact CD1-CZ3 3.65Å; F438-W443 HydrophobicContact CD1-CZ3 3.65Å; F438-W443 AromaticContact CE1-CH2 3.94Å; F438-W443 HydrophobicContact CE1-CH2 3.94Å; F438-W443 AromaticContact CE1-CZ3 3.82Å; F438-W443 HydrophobicContact CE1-CZ3 3.82Å; T439-W443 PolarHBondContact O-N 3.01Å; T439-W443 VanDerWaalsContact O-N 3.15Å; W443-S447 VanDerWaalsContact O-CB 3.3Å; W443-S447 WeakPolarHBondContact O-CB 3.02Å; W443-S447 PolarHBondContact O-N 3.07Å; W443-S447 PolarHBondContact O-OG 3.46Å; W443-H483 AromaticContact CE2-ND1 3.86Å; W443-H483 HydrophobicContact CZ2-CB 4.35Å; W443-H483 AromaticContact CZ2-CG 3.94Å; W443-H483 AromaticContact CZ2-ND1 3.93Å; W443-H483 AromaticContact NE1-CE1 3.48Å; W443-H483 PolarHBondContact NE1-CE1 2.95Å; W443-H483 AromaticContact NE1-ND1 3.5Å; W443-H483 PolarHBondContact NE1-ND1 3.15Å
444	V	98.6	Very high	97.8	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.031	C	C	.	.	I	π-helix	trans	-65	-51.8	-168.7	-173.3	0	0	0	0	111.9	V365 T439 D440 S447 V448 Y576 V581	V365-V444 HydrophobicContact CG2-CG2 4.21Å; T439-V444 HydrophobicContact CG2-CG2 3.88Å; T439-V444 PolarHBondContact O-N 2.86Å; D440-V444 PolarHBondContact O-N 2.66Å; V444-S447 PolarHBondContact O-N 3.15Å; V444-V448 HydrophobicContact CG1-CG2 4.32Å; V444-V448 VanDerWaalsContact O-CG2 3.32Å; V444-V448 WeakPolarHBondContact O-CG2 3.37Å; V444-V448 PolarHBondContact O-N 3.34Å; V444-Y576 HydrophobicContact CG1-CD1 3.69Å; V444-Y576 HydrophobicContact CG1-CE1 3.68Å; V444-Y576 HydrophobicContact CG2-CE1 4.19Å; V444-V581 HydrophobicContact CG1-CG2 3.97Å
445	E	98.2	Very high	97.8	Very high	35 Å²	35	6.4 Å²	6.4	16%	0.164	4%	0.035	C	C	.	.	H	α-helix	trans	-65	-48.4	-178.6	-172.7	-87.2	-179.3	0	0	112	D440 S447 V448 V449 V581 W584 K585	D440-E445 WeakPolarHBondContact O-CB 3.31Å; D440-E445 PolarHBondContact O-N 3.4Å; E445-S447 VanDerWaalsContact C-N 3.31Å; E445-S447 PolarHBondContact O-N 2.8Å; E445-V448 PolarHBondContact O-N 2.92Å; E445-V448 VanDerWaalsContact O-N 3.09Å; E445-V449 HydrophobicContact CG-CG2 4.31Å; E445-V449 WeakPolarHBondContact O-CG2 3.2Å; E445-V449 PolarHBondContact O-N 2.04Å; E445-V449 VanDerWaalsContact OE1-CG2 3.31Å; E445-V449 WeakPolarHBondContact OE1-CG2 3.46Å; E445-V581 HydrophobicContact CG-CG1 4.13Å; E445-W584 HydrophobicContact CB-CB 4.22Å; E445-W584 HydrophobicContact CG-CB 3.86Å; E445-K585 HydrophobicContact CG-CB 4.21Å; E445-K585 WeakPolarHBondContact OE1-CA 3.34Å; E445-K585 WeakPolarHBondContact OE1-CB 3.29Å
446	P	98.3	Very high	97.6	Very high	4 Å²	4	11.9 Å²	11.9	3%	0.026	6%	0.055	C	C	.	.	H	α-helix	trans	-54.2	-43.7	173.7	-32.5	38.8	0	0	0	113.3	L278 H441 T450	L278-P446 HydrophobicContact CB-CB 4.15Å; H441-P446 VanDerWaalsContact O-CD 3.25Å; H441-P446 WeakPolarHBondContact O-CD 3.48Å; H441-P446 WeakPolarHBondContact O-CG 3.36Å; P446-T450 WeakPolarHBondContact O-CB 3.45Å; P446-T450 PolarHBondContact O-N 2.65Å; P446-T450 PolarHBondContact O-OG1 3.27Å
447	S	98.3	Very high	96.8	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-68.2	-38.5	177.7	-64.5	0	0	0	0	112.8	L363 V365 W443 V444 E445 T450 A451	L363-S447 WeakPolarHBondContact CD1-O 3.45Å; V365-S447 WeakPolarHBondContact CG1-OG 3.26Å; W443-S447 VanDerWaalsContact O-CB 3.3Å; W443-S447 WeakPolarHBondContact O-CB 3.02Å; W443-S447 PolarHBondContact O-N 3.07Å; W443-S447 PolarHBondContact O-OG 3.46Å; V444-S447 PolarHBondContact O-N 3.15Å; E445-S447 VanDerWaalsContact C-N 3.31Å; E445-S447 PolarHBondContact O-N 2.8Å; S447-T450 PolarHBondContact O-N 3.33Å; S447-A451 WeakPolarHBondContact O-CB 3.01Å; S447-A451 PolarHBondContact O-N 3.5Å
448	V	98.3	Very high	96.3	Very high	4 Å²	4	20.2 Å²	20.2	2%	0.024	11%	0.105	C	C	.	.	H	α-helix	trans	-72.4	-36.7	177.6	174.6	0	0	0	0	111.5	V444 E445 A451 D452 F463 V581	V444-V448 HydrophobicContact CG1-CG2 4.32Å; V444-V448 VanDerWaalsContact O-CG2 3.32Å; V444-V448 WeakPolarHBondContact O-CG2 3.37Å; V444-V448 PolarHBondContact O-N 3.34Å; E445-V448 PolarHBondContact O-N 2.92Å; E445-V448 VanDerWaalsContact O-N 3.09Å; V448-A451 PolarHBondContact O-N 2.76Å; V448-D452 WeakPolarHBondContact O-CB 2.98Å; V448-D452 PolarHBondContact O-N 2.7Å; V448-F463 HydrophobicContact CG2-CE2 4.02Å; V448-F463 HydrophobicContact CG2-CZ 3.77Å; V448-V581 HydrophobicContact CB-CG1 4.02Å; V448-V581 HydrophobicContact CB-CG2 4.42Å; V448-V581 HydrophobicContact CG1-CG1 3.78Å; V448-V581 HydrophobicContact CG2-CG2 4.25Å
449	V	97.6	Very high	96.2	Very high	6 Å²	6	21 Å²	21	4%	0.036	11%	0.111	C	C	.	.	H	α-helix	trans	-62.7	-46	171.6	175.1	0	0	0	0	110.7	L278 E445 A451 D452 L453 K585	L278-V449 HydrophobicContact CD1-CB 3.97Å; L278-V449 HydrophobicContact CD1-CG1 3.59Å; E445-V449 HydrophobicContact CG-CG2 4.31Å; E445-V449 WeakPolarHBondContact O-CG2 3.2Å; E445-V449 PolarHBondContact O-N 2.04Å; E445-V449 VanDerWaalsContact OE1-CG2 3.31Å; E445-V449 WeakPolarHBondContact OE1-CG2 3.46Å; V449-A451 VanDerWaalsContact C-N 3.32Å; V449-A451 PolarHBondContact O-N 2.62Å; V449-D452 PolarHBondContact O-N 2.71Å; V449-L453 HydrophobicContact CG1-CD1 3.77Å; V449-L453 HydrophobicContact CG1-CG 4.34Å; V449-L453 WeakPolarHBondContact O-CB 3.39Å; V449-L453 WeakPolarHBondContact O-CG 3.23Å; V449-L453 PolarHBondContact O-N 3.4Å; V449-K585 HydrophobicContact CG2-CD 3.84Å; V449-K585 HydrophobicContact CG2-CG 4.07Å
450	T	97.9	Very high	96.2	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.012	12%	0.12	C	C	.	.	H	α-helix	trans	-56.2	-46	174.2	-52.9	0	0	0	0	111	S276 M351 F356 L363 P446 S447 H454	S276-T450 PolarHBondContact OG-OG1 3.25Å; M351-T450 HydrophobicContact CE-CG2 3.99Å; M351-T450 HydrophobicContact SD-CG2 4.08Å; F356-T450 HydrophobicContact CE2-CG2 4.21Å; L363-T450 HydrophobicContact CD1-CG2 3.91Å; P446-T450 WeakPolarHBondContact O-CB 3.45Å; P446-T450 PolarHBondContact O-N 2.65Å; P446-T450 PolarHBondContact O-OG1 3.27Å; S447-T450 PolarHBondContact O-N 3.33Å; T450-H454 WeakPolarHBondContact O-CB 3.3Å; T450-H454 PolarHBondContact O-N 3.14Å
451	A	98.1	Very high	96.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65.7	-43	179	0	0	0	0	0	112.9	L363 S447 V448 V449 A455 T461 F463 Y556	L363-A451 HydrophobicContact CD1-CB 4.1Å; L363-A451 HydrophobicContact CD2-CB 3.95Å; L363-A451 HydrophobicContact CG-CB 4.38Å; S447-A451 WeakPolarHBondContact O-CB 3.01Å; S447-A451 PolarHBondContact O-N 3.5Å; V448-A451 PolarHBondContact O-N 2.76Å; V449-A451 VanDerWaalsContact C-N 3.32Å; V449-A451 PolarHBondContact O-N 2.62Å; A451-A455 WeakPolarHBondContact O-CB 3.42Å; A451-A455 PolarHBondContact O-N 2.79Å; A451-T461 HydrophobicContact CB-CG2 4.17Å; A451-F463 HydrophobicContact CB-CD2 3.78Å; A451-F463 HydrophobicContact CB-CE2 4.16Å; A451-Y556 HydrophobicContact CB-CD1 3.9Å; A451-Y556 HydrophobicContact CB-CE1 3.59Å; A451-Y556 HydrophobicContact CB-CE2 4.45Å; A451-Y556 HydrophobicContact CB-CG 4.47Å
452	D	97.1	Very high	96.2	Very high	10 Å²	10	21.2 Å²	21.2	5%	0.053	11%	0.114	C	C	.	.	H	α-helix	trans	-62.4	-46.7	177.5	-84.7	-14.3	0	0	0	111.4	V448 V449 R456 Y556 P558 Q561 K585	V448-D452 WeakPolarHBondContact O-CB 2.98Å; V448-D452 PolarHBondContact O-N 2.7Å; V449-D452 PolarHBondContact O-N 2.71Å; D452-R456 VanDerWaalsContact O-CB 3.28Å; D452-R456 WeakPolarHBondContact O-CB 3.41Å; D452-R456 PolarHBondContact O-N 2.79Å; D452-Y556 PolarHBondContact OD1-OH 3.26Å; D452-P558 WeakPolarHBondContact O-CG 3.4Å; D452-Q561 PolarHBondContact OD1-NE2 3.07Å; D452-Q561 VanDerWaalsContact OD1-NE2 3.09Å; D452-K585 IonicContact OD2-NZ 2.69Å; D452-K585 PolarHBondContact OD2-NZ 2.88Å
453	L	96.6	Very high	96.3	Very high	5 Å²	5	21.3 Å²	21.3	3%	0.026	11%	0.114	C	C	.	.	H	α-helix	trans	-66.3	-45.1	-179.1	-71	172	0	0	0	111.3	M351 E352 F356 V449 R456	M351-L453 HydrophobicContact CB-CB 4.26Å; M351-L453 HydrophobicContact CB-CD1 3.59Å; M351-L453 HydrophobicContact SD-CD1 4.26Å; E352-L453 HydrophobicContact CG-CD2 4.11Å; F356-L453 HydrophobicContact CE1-CB 4.44Å; F356-L453 HydrophobicContact CZ-CB 3.84Å; V449-L453 HydrophobicContact CG1-CD1 3.77Å; V449-L453 HydrophobicContact CG1-CG 4.34Å; V449-L453 WeakPolarHBondContact O-CB 3.39Å; V449-L453 WeakPolarHBondContact O-CG 3.23Å; V449-L453 PolarHBondContact O-N 3.4Å; L453-R456 WeakPolarHBondContact O-CB 3.48Å; L453-R456 PolarHBondContact O-N 2.97Å
454	H	97.4	Very high	96.4	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-64.7	-46.5	177.8	-171.2	-105.5	0	0	0	112.1	F356 Y359 I361 T450 R456 S459 T461	F356-H454 HydrophobicContact CE1-CB 4.35Å; F356-H454 HydrophobicContact CE2-CB 3.86Å; F356-H454 HydrophobicContact CZ-CB 3.74Å; F356-H454 PolarHBondContact O-NE2 3.39Å; Y359-H454 PolarHBondContact O-CE1 2.95Å; Y359-H454 PolarHBondContact O-NE2 2.93Å; Y359-H454 VanDerWaalsContact O-NE2 3.11Å; I361-H454 VanDerWaalsContact CD1-CD2 3.46Å; I361-H454 WeakPolarHBondContact CD1-CD2 3.4Å; T450-H454 WeakPolarHBondContact O-CB 3.3Å; T450-H454 PolarHBondContact O-N 3.14Å; H454-R456 VanDerWaalsContact C-N 3.32Å; H454-R456 PolarHBondContact O-N 2.92Å; H454-S459 WeakPolarHBondContact CE1-CB 3.42Å; H454-S459 WeakPolarHBondContact NE2-CB 3.36Å; H454-T461 PolarHBondContact ND1-OG1 3.32Å
455	A	96.6	Very high	96.4	Very high	10 Å²	10	21.2 Å²	21.2	8%	0.083	11%	0.114	C	C	.	.	H	α-helix	trans	-73.7	-19.6	-178.1	0	0	0	0	0	113.9	A451 Y457 G458 T461 Y556 P558	A451-A455 WeakPolarHBondContact O-CB 3.42Å; A451-A455 PolarHBondContact O-N 2.79Å; A455-Y457 PolarHBondContact O-N 3.48Å; A455-G458 PolarHBondContact O-N 3.26Å; A455-G458 VanDerWaalsContact O-N 3.07Å; A455-T461 WeakPolarHBondContact CB-OG1 3.37Å; A455-T461 PolarHBondContact N-OG1 3.17Å; A455-Y556 HydrophobicContact CB-CD1 3.93Å; A455-Y556 HydrophobicContact CB-CE1 4.4Å; A455-P558 HydrophobicContact CB-CG 4.17Å
456	R	92.3	Very high	96.4	Very high	130 Å²	130	19.5 Å²	19.5	49%	0.491	11%	0.106	S	C	.	.	H	α-helix	trans	-55.3	-35.6	-179.1	-177.7	179.5	-65	175.5	2.6	112.9	D452 L453 H454 P558	D452-R456 VanDerWaalsContact O-CB 3.28Å; D452-R456 WeakPolarHBondContact O-CB 3.41Å; D452-R456 PolarHBondContact O-N 2.79Å; L453-R456 WeakPolarHBondContact O-CB 3.48Å; L453-R456 PolarHBondContact O-N 2.97Å; H454-R456 VanDerWaalsContact C-N 3.32Å; H454-R456 PolarHBondContact O-N 2.92Å; R456-P558 HydrophobicContact CB-CG 4.48Å
457	Y	82.5	Confident	96.4	Very high	120 Å²	120	20.9 Å²	20.9	47%	0.471	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	7.4	-177.1	-57.9	-85.5	0	0	0	113.3	E352 L357 A455	E352-Y457 PolarHBondContact O-OH 3.44Å; L357-Y457 HydrophobicContact CD1-CD1 4.17Å; L357-Y457 HydrophobicContact CD1-CD2 3.52Å; L357-Y457 HydrophobicContact CD1-CE2 4.15Å; L357-Y457 HydrophobicContact CD1-CG 3.48Å; L357-Y457 VanDerWaalsContact CD1-CG 3.48Å; L357-Y457 HydrophobicContact CD2-CD2 3.72Å; L357-Y457 HydrophobicContact CD2-CG 4.17Å; L357-Y457 HydrophobicContact CG-CD2 4.2Å; L357-Y457 HydrophobicContact CG-CG 4.46Å; A455-Y457 PolarHBondContact O-N 3.48Å
458	G	87.8	Confident	96.3	Very high	63 Å²	63	22 Å²	22	65%	0.649	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.7	2.1	174.9	0	0	0	0	0	115.6	A455	A455-G458 PolarHBondContact O-N 3.26Å; A455-G458 VanDerWaalsContact O-N 3.07Å
459	S	95.3	Very high	96.1	Very high	18 Å²	18	24.3 Å²	24.3	13%	0.126	13%	0.127	C	C	.	.			trans	-62.2	144	175.6	-58.4	0	0	0	0	111.3	L357 H454 T461	L357-S459 PolarHBondContact O-OG 2.61Å; H454-S459 WeakPolarHBondContact CE1-CB 3.42Å; H454-S459 WeakPolarHBondContact NE2-CB 3.36Å; S459-T461 PolarHBondContact O-N 3.46Å; S459-T461 PolarHBondContact O-OG1 3.33Å
460	P	97.6	Very high	95.8	Very high	31 Å²	31	24.2 Å²	24.2	20%	0.201	13%	0.126	C	C	.	.			trans	-68.5	106.4	-174.2	-25.6	39.8	0	0	0	112.8	D360 I361	D360-P460 HydrophobicContact CB-CB 4.48Å; D360-P460 WeakPolarHBondContact OD1-CB 3.43Å; D360-P460 WeakPolarHBondContact OD1-CG 3.33Å; I361-P460 PolarHBondContact N-O 2.95Å
461	T	98.6	Very high	95	Very high	1 Å²	1	30 Å²	30	1%	0.006	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	138	177.5	-50	0	0	0	0	111.3	I361 L363 A451 H454 A455 S459 Y556	I361-T461 CarbonylContact O-C 3.52Å; I361-T461 VanDerWaalsContact O-CA 3.29Å; I361-T461 WeakPolarHBondContact O-CA 3.42Å; L363-T461 HydrophobicContact CD2-CG2 3.63Å; A451-T461 HydrophobicContact CB-CG2 4.17Å; H454-T461 PolarHBondContact ND1-OG1 3.32Å; A455-T461 WeakPolarHBondContact CB-OG1 3.37Å; A455-T461 PolarHBondContact N-OG1 3.17Å; S459-T461 PolarHBondContact O-N 3.46Å; S459-T461 PolarHBondContact O-OG1 3.33Å; T461-Y556 HydrophobicContact CG2-CD1 4.02Å; T461-Y556 HydrophobicContact CG2-CG 4.29Å; T461-Y556 PolarHBondContact O-N 2.88Å
462	Y	98.8	Very high	94.3	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.016	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	118.1	173.1	-68.8	-91.8	0	0	0	110.5	I361 M362 L363 F524 G528 D529 P530 W553 K555	I361-Y462 PolarHBondContact O-N 3.25Å; M362-Y462 CarbonylContact C-O 3.57Å; M362-Y462 WeakPolarHBondContact CA-O 3.38Å; L363-Y462 PolarHBondContact N-O 3.29Å; Y462-F524 HydrophobicContact CD2-CD2 4.37Å; Y462-F524 HydrophobicContact CD2-CE2 4.03Å; Y462-F524 HydrophobicContact CE2-CE2 4.4Å; Y462-G528 VanDerWaalsContact CE2-O 3.32Å; Y462-G528 WeakPolarHBondContact CE2-O 3.36Å; Y462-D529 PolarHBondContact OH-OD1 3.44Å; Y462-P530 HydrophobicContact CD1-CG 3.56Å; Y462-P530 HydrophobicContact CD2-CG 4.46Å; Y462-P530 HydrophobicContact CE1-CG 3.66Å; Y462-P530 HydrophobicContact CG-CG 3.97Å; Y462-W553 AromaticContact CD1-CD1 3.91Å; Y462-W553 HydrophobicContact CD1-CG 4.17Å; Y462-K555 HydrophobicContact CD1-CG 4.45Å; Y462-K555 HydrophobicContact CE1-CG 3.71Å; Y462-K555 HydrophobicContact CE2-CG 4.14Å; Y462-K555 VanDerWaalsContact OH-CE 3.25Å; Y462-K555 WeakPolarHBondContact OH-CE 3.35Å
463	F	98.9	Very high	93.4	Very high	1 Å²	1	39.9 Å²	39.9	0%	0.004	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	140.1	179.7	-156.4	-86.9	0	0	0	111.7	L363 V365 V448 A451 W553 Y556 Y563 L564 Y576	L363-F463 HydrophobicContact CD2-CD2 4.03Å; L363-F463 HydrophobicContact CG-CD2 3.88Å; L363-F463 HydrophobicContact CG-CE2 4.1Å; L363-F463 CarbonylContact O-C 3.42Å; L363-F463 VanDerWaalsContact O-CA 3.25Å; L363-F463 WeakPolarHBondContact O-CA 3.37Å; V365-F463 HydrophobicContact CG2-CZ 4.49Å; V448-F463 HydrophobicContact CG2-CE2 4.02Å; V448-F463 HydrophobicContact CG2-CZ 3.77Å; A451-F463 HydrophobicContact CB-CD2 3.78Å; A451-F463 HydrophobicContact CB-CE2 4.16Å; F463-W553 PolarHBondContact O-NE1 3.24Å; F463-Y556 HydrophobicContact CB-CD2 3.54Å; F463-Y556 HydrophobicContact CB-CE2 4.24Å; F463-Y556 HydrophobicContact CB-CG 4.07Å; F463-Y556 HydrophobicContact CG-CD2 4.2Å; F463-Y556 HydrophobicContact CG-CE2 4.44Å; F463-Y563 HydrophobicContact CD1-CG 4.43Å; F463-Y563 VanDerWaalsContact O-CA 3.26Å; F463-Y563 WeakPolarHBondContact O-CA 3.35Å; F463-Y563 WeakPolarHBondContact O-CB 3.22Å; F463-L564 PolarHBondContact O-N 3.33Å; F463-Y576 HydrophobicContact CE1-CD1 4.07Å
464	Y	98.9	Very high	92.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	159.2	168.4	73.3	-93.5	0	0	0	112.6	Q273 M362 L363 G364 V365 F466 W521 W553 L564 I566	Q273-Y464 WeakPolarHBondContact CA-OH 3.44Å; Q273-Y464 WeakPolarHBondContact CB-OH 3.22Å; Q273-Y464 WeakPolarHBondContact CG-OH 3.14Å; M362-Y464 HydrophobicContact CG-CD1 4.47Å; L363-Y464 VanDerWaalsContact O-CD1 3.31Å; L363-Y464 WeakPolarHBondContact O-CD1 3.48Å; L363-Y464 PolarHBondContact O-N 2.82Å; G364-Y464 WeakPolarHBondContact CA-O 3.26Å; V365-Y464 PolarHBondContact N-O 3.12Å; Y464-F466 HydrophobicContact CD2-CB 4.26Å; Y464-F466 HydrophobicContact CE2-CB 4.11Å; Y464-W521 HydrophobicContact CD1-CH2 4.01Å; Y464-W521 AromaticContact CE1-CH2 3.82Å; Y464-W521 HydrophobicContact CE1-CH2 3.82Å; Y464-W521 AromaticContact CE1-CZ2 3.91Å; Y464-W521 HydrophobicContact CE1-CZ2 3.91Å; Y464-W521 HydrophobicContact CG-CH2 4.46Å; Y464-W553 AromaticContact CD1-CH2 3.91Å; Y464-W553 HydrophobicContact CD1-CH2 3.91Å; Y464-W553 HydrophobicContact CD1-CZ2 4.14Å; Y464-W553 HydrophobicContact CG-CH2 4.27Å; Y464-W553 HydrophobicContact CG-CZ2 4.38Å; Y464-L564 WeakPolarHBondContact CA-O 3.43Å; Y464-I566 HydrophobicContact CD2-CD1 3.99Å; Y464-I566 HydrophobicContact CG-CD1 3.87Å
465	A	98.8	Very high	91.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	130.6	161.1	0	0	0	0	0	109.8	V365 Y467 Y563 L564 I566 Y576	V365-A465 CarbonylContact O-C 3.43Å; V365-A465 VanDerWaalsContact O-CA 3.28Å; V365-A465 WeakPolarHBondContact O-CA 3.42Å; A465-Y467 HydrophobicContact CB-CD2 4.06Å; A465-Y467 HydrophobicContact CB-CE2 3.68Å; A465-Y563 HydrophobicContact CB-CD2 3.84Å; A465-Y563 HydrophobicContact CB-CE2 3.73Å; A465-L564 PolarHBondContact N-O 3.46Å; A465-I566 PolarHBondContact O-N 3.14Å; A465-Y576 HydrophobicContact CB-CD2 4.13Å; A465-Y576 HydrophobicContact CB-CE1 4.15Å; A465-Y576 HydrophobicContact CB-CE2 3.71Å
466	F	98.7	Very high	91.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	117.3	-172.1	-155	-101.6	0	0	0	111.1	V365 N366 Q367 Y464 H468 A481 E486 Y489 L513 V517 I566	V365-F466 PolarHBondContact O-N 2.65Å; N366-F466 HydrophobicContact CB-CB 4.49Å; N366-F466 WeakPolarHBondContact OD1-CB 3.42Å; Q367-F466 PolarHBondContact N-O 3.22Å; Y464-F466 HydrophobicContact CD2-CB 4.26Å; Y464-F466 HydrophobicContact CE2-CB 4.11Å; F466-H468 WeakPolarHBondContact CD1-O 3.49Å; F466-H468 WeakPolarHBondContact CE1-O 3.39Å; F466-A481 HydrophobicContact CD1-CB 4.41Å; F466-E486 HydrophobicContact CD1-CB 3.85Å; F466-E486 HydrophobicContact CD2-CB 3.97Å; F466-E486 HydrophobicContact CE1-CB 3.82Å; F466-E486 HydrophobicContact CE2-CB 3.97Å; F466-E486 HydrophobicContact CG-CB 3.93Å; F466-E486 HydrophobicContact CZ-CB 3.9Å; F466-Y489 AromaticContact CE1-CD2 3.96Å; F466-Y489 HydrophobicContact CE1-CD2 3.96Å; F466-Y489 HydrophobicContact CE1-CE2 4.19Å; F466-Y489 AromaticContact CZ-CD2 3.66Å; F466-Y489 HydrophobicContact CZ-CD2 3.66Å; F466-Y489 HydrophobicContact CZ-CE2 4.23Å; F466-Y489 AromaticContact CZ-CG 3.93Å; F466-Y489 HydrophobicContact CZ-CG 3.93Å; F466-L513 HydrophobicContact CZ-CD2 4.24Å; F466-V517 HydrophobicContact CE2-CG2 4.03Å; F466-I566 HydrophobicContact CD2-CB 3.82Å; F466-I566 HydrophobicContact CD2-CD1 4.38Å; F466-I566 HydrophobicContact CD2-CG2 3.55Å; F466-I566 HydrophobicContact CE2-CB 4.31Å; F466-I566 HydrophobicContact CE2-CG2 3.51Å
467	Y	97.8	Very high	91.3	Very high	32 Å²	32	44.8 Å²	44.8	13%	0.125	26%	0.256	C	S	.	.			trans	-123.4	38.7	-168.5	-85.9	-108	0	0	0	111	Q367 A465 H565 I566 Y576 D761	Q367-Y467 HydrophobicContact CB-CD1 4.16Å; Q367-Y467 HydrophobicContact CB-CD2 4.22Å; Q367-Y467 HydrophobicContact CB-CE1 4.13Å; Q367-Y467 HydrophobicContact CB-CE2 4.15Å; Q367-Y467 HydrophobicContact CB-CG 4.21Å; Q367-Y467 VanDerWaalsContact CD-CE1 3.41Å; Q367-Y467 HydrophobicContact CG-CD1 3.85Å; Q367-Y467 HydrophobicContact CG-CE1 3.52Å; Q367-Y467 HydrophobicContact CG-CE2 4.33Å; Q367-Y467 HydrophobicContact CG-CG 4.4Å; A465-Y467 HydrophobicContact CB-CD2 4.06Å; A465-Y467 HydrophobicContact CB-CE2 3.68Å; Y467-H565 AromaticContact CD1-NE2 3.67Å; Y467-H565 AromaticContact CG-CD2 3.9Å; Y467-H565 AromaticContact CG-CE1 3.92Å; Y467-H565 AromaticContact CG-NE2 3.6Å; Y467-I566 PolarHBondContact N-O 2.69Å; Y467-Y576 AromaticContact CE2-CE2 3.93Å; Y467-Y576 HydrophobicContact CE2-CE2 3.93Å; Y467-Y576 VanDerWaalsContact OH-CE2 3.28Å; Y467-Y576 WeakPolarHBondContact OH-CE2 3.36Å; Y467-Y576 PolarHBondContact OH-OH 3.04Å; Y467-D761 WeakPolarHBondContact CE1-OD2 3.48Å; Y467-D761 VanDerWaalsContact OH-CG 3.27Å; Y467-D761 PolarHBondContact OH-OD1 3.25Å; Y467-D761 PolarHBondContact OH-OD2 2.86Å
468	H	96.6	Very high	91.7	Very high	24 Å²	24	40.2 Å²	40.2	11%	0.111	24%	0.238	C	C	.	.			trans	-153	149.4	178.8	-172.9	78.9	0	0	0	110.4	F466 A481 Y489 D510 L513 L568	F466-H468 WeakPolarHBondContact CD1-O 3.49Å; F466-H468 WeakPolarHBondContact CE1-O 3.39Å; H468-A481 VanDerWaalsContact O-CB 3.31Å; H468-A481 WeakPolarHBondContact O-CB 3.44Å; H468-Y489 AromaticContact CD2-CE1 3.88Å; H468-Y489 AromaticContact CD2-CZ 3.6Å; H468-Y489 PolarHBondContact CD2-OH 3.37Å; H468-Y489 VanDerWaalsContact CD2-OH 3.25Å; H468-Y489 AromaticContact NE2-CZ 4Å; H468-Y489 PolarHBondContact NE2-OH 3.46Å; H468-D510 IonicContact CD2-OD1 3.77Å; H468-D510 IonicContact CE1-OD1 3.26Å; H468-D510 IonicContact NE2-OD1 2.72Å; H468-D510 PolarHBondContact NE2-OD1 2.9Å; H468-L513 HydrophobicContact CB-CD2 3.63Å; H468-L513 WeakPolarHBondContact CD2-CD2 3.48Å; H468-L568 WeakPolarHBondContact ND1-CG 3.4Å
469	H	94.4	Very high	91.9	Very high	52 Å²	52	37.5 Å²	37.5	24%	0.241	21%	0.209	C	C	.	.			trans	-152.8	164.7	170.9	65.9	91.8	0	0	0	109.2	S479 A481 D485	H469-S479 PolarHBondContact NE2-O 3.2Å; H469-S479 VanDerWaalsContact NE2-O 3.14Å; H469-A481 HydrophobicContact CB-CB 4.32Å; H469-D485 HydrophobicContact CB-CB 4.1Å; H469-D485 WeakPolarHBondContact CB-OD2 3.34Å
470	C	91.3	Very high	91.9	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.034	22%	0.216	C	C	.	.			trans	-80.8	154.2	177	51.4	0	0	0	0	111	S472 Y489 C504 F506	C470-S472 PolarHBondContact O-N 3.29Å; C470-Y489 WeakPolarHBondContact CA-OH 3.07Å; C470-Y489 WeakPolarHBondContact CB-OH 3.48Å; C470-Y489 PolarHBondContact N-OH 3.03Å; C470-C504 HydrophobicContact CB-CB 3.53Å; C470-C504 WeakPolarHBondContact CB-SG 3.39Å; C470-C504 WeakPolarHBondContact SG-CB 3.5Å; C470-C504 CovalentContact SG-SG 2.02Å; C470-C504 PolarHBondContact SG-SG 3.5Å; C470-F506 HydrophobicContact CB-CD1 3.74Å; C470-F506 HydrophobicContact CB-CE1 3.62Å
471	Q	81.8	Confident	91.8	Very high	124 Å²	124	37.8 Å²	37.8	58%	0.579	21%	0.207	S	C	*	.	B	Isolated β-bridge	trans	-76	125.4	172.9	-70.7	-176.2	-10.9	0	0	109.6	N505	Q471-N505 PolarHBondContact O-N 3.35Å
472	S	81.8	Confident	91.7	Very high	30 Å²	30	37.7 Å²	37.7	21%	0.21	21%	0.207	C	C	.	.			trans	-138	142	176.3	177.5	0	0	0	0	109.4	C470 M474 K475	C470-S472 PolarHBondContact O-N 3.29Å; S472-M474 PolarHBondContact O-N 2.92Å; S472-M474 WeakPolarHBondContact OG-CB 3.43Å; S472-M474 WeakPolarHBondContact OG-CG 3.25Å; S472-M474 PolarHBondContact OG-N 2.9Å; S472-M474 VanDerWaalsContact OG-N 3.11Å; S472-K475 PolarHBondContact O-N 3.35Å
473	L	79.4	Confident	91.6	Very high	186 Å²	186	37.8 Å²	37.8	97%	0.974	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-12.3	171.6	-65.5	174.1	0	0	0	112.5	K475	L473-K475 VanDerWaalsContact C-N 3.29Å
474	M	77.8	Confident	91.4	Very high	79 Å²	79	37.7 Å²	37.7	39%	0.389	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	2	-179.3	-43.2	179.5	96.1	0	0	112.8	A125 N126 S472 P503	A125-M474 HydrophobicContact CB-CB 4.01Å; A125-M474 HydrophobicContact CB-CE 3.69Å; A125-M474 HydrophobicContact CB-SD 3.86Å; A125-M474 WeakPolarHBondContact O-CE 3.37Å; N126-M474 WeakPolarHBondContact OD1-CE 3.39Å; N126-M474 PolarHBondContact OD1-SD 2.97Å; S472-M474 PolarHBondContact O-N 2.92Å; S472-M474 WeakPolarHBondContact OG-CB 3.43Å; S472-M474 WeakPolarHBondContact OG-CG 3.25Å; S472-M474 PolarHBondContact OG-N 2.9Å; S472-M474 VanDerWaalsContact OG-N 3.11Å; M474-P503 HydrophobicContact SD-CG 3.76Å
475	K	84.5	Confident	91.3	Very high	25 Å²	25	38.2 Å²	38.2	11%	0.109	21%	0.21	C	C	.	.	S	Bend	trans	-126.2	140.3	176.8	-78	-171.7	163.1	176.9	0	110.4	V121 L371 S472 L473 D485	V121-K475 VanDerWaalsContact CB-CE 3.45Å; V121-K475 HydrophobicContact CG1-CD 4.48Å; V121-K475 HydrophobicContact CG1-CG 4.29Å; L371-K475 HydrophobicContact CD2-CG 4.49Å; S472-K475 PolarHBondContact O-N 3.35Å; L473-K475 VanDerWaalsContact C-N 3.29Å; K475-D485 IonicContact NZ-OD1 3.63Å; K475-D485 PolarHBondContact NZ-OD1 3.39Å; K475-D485 IonicContact NZ-OD2 2.74Å; K475-D485 PolarHBondContact NZ-OD2 3.24Å
476	P	89.1	Confident	91.3	Very high	43 Å²	43	38.2 Å²	38.2	28%	0.279	21%	0.21	S	C	.	.			trans	-58.7	140.5	173.4	-21.9	32.8	0	0	0	111.4	W478 S479	P476-W478 HydrophobicContact CB-CD2 3.87Å; P476-W478 HydrophobicContact CB-CG 4.06Å; P476-W478 HydrophobicContact CB-CZ2 3.82Å; P476-W478 VanDerWaalsContact CB-NE1 3.26Å; P476-W478 HydrophobicContact CG-CH2 4.46Å; P476-W478 HydrophobicContact CG-CZ2 3.82Å; P476-W478 PolarHBondContact O-N 3.33Å; P476-S479 PolarHBondContact O-N 3.09Å; P476-S479 PolarHBondContact O-OG 3.37Å; P476-S479 VanDerWaalsContact O-OG 3.07Å
477	A	87.9	Confident	91.2	Very high	102 Å²	102	38.2 Å²	38.2	84%	0.843	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-5.8	-176.3	0	0	0	0	0	114.7
478	W	90.3	Very high	91.2	Very high	24 Å²	24	36.8 Å²	36.8	9%	0.091	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-9.5	175.7	59.2	-106.1	0	0	0	114.6	L371 V374 V378 D382 R431 P476	L371-W478 HydrophobicContact CD1-CE3 4.49Å; L371-W478 HydrophobicContact CD1-CH2 3.45Å; L371-W478 VanDerWaalsContact CD1-CH2 3.45Å; L371-W478 HydrophobicContact CD1-CZ2 4.45Å; L371-W478 HydrophobicContact CD1-CZ3 3.48Å; L371-W478 VanDerWaalsContact CD1-CZ3 3.48Å; V374-W478 HydrophobicContact CG2-CH2 3.92Å; V378-W478 HydrophobicContact CG1-CZ2 4.21Å; V378-W478 HydrophobicContact CG2-CH2 4.41Å; V378-W478 HydrophobicContact CG2-CZ2 4.08Å; D382-W478 HydrophobicContact CB-CG 4.47Å; D382-W478 PolarHBondContact OD1-NE1 3.49Å; R431-W478 HydrophobicContact CG-CH2 4.49Å; R431-W478 VanDerWaalsContact NH2-CE3 3.26Å; P476-W478 HydrophobicContact CB-CD2 3.87Å; P476-W478 HydrophobicContact CB-CG 4.06Å; P476-W478 HydrophobicContact CB-CZ2 3.82Å; P476-W478 VanDerWaalsContact CB-NE1 3.26Å; P476-W478 HydrophobicContact CG-CH2 4.46Å; P476-W478 HydrophobicContact CG-CZ2 3.82Å; P476-W478 PolarHBondContact O-N 3.33Å
479	S	92.2	Very high	91.3	Very high	6 Å²	6	35.7 Å²	35.7	4%	0.042	20%	0.199	C	C	.	.			trans	-65.9	136.1	-177.7	67.2	0	0	0	0	110.5	H469 P476	H469-S479 PolarHBondContact NE2-O 3.2Å; H469-S479 VanDerWaalsContact NE2-O 3.14Å; P476-S479 PolarHBondContact O-N 3.09Å; P476-S479 PolarHBondContact O-OG 3.37Å; P476-S479 VanDerWaalsContact O-OG 3.07Å
480	D	94.8	Very high	91.5	Very high	54 Å²	54	33.2 Å²	33.2	29%	0.289	19%	0.188	S	C	.	.			trans	-78	-175.6	162	-64.5	-60.5	0	0	0	110	Q367 A482	Q367-D480 HydrophobicContact CB-CB 4.21Å; Q367-D480 VanDerWaalsContact CD-CG 3.46Å; Q367-D480 HydrophobicContact CG-CB 3.92Å; Q367-D480 PolarHBondContact NE2-OD1 3.41Å; Q367-D480 PolarHBondContact NE2-OD2 3.15Å; D480-A482 PolarHBondContact O-N 3.33Å; D480-A482 VanDerWaalsContact O-N 3.17Å
481	A	96.5	Very high	91.8	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.008	19%	0.187	C	C	.	.	S	Bend	trans	-61.6	116.6	175.9	0	0	0	0	0	111.1	N366 Q367 G368 F466 H468 H469	N366-A481 HydrophobicContact CB-CB 4.36Å; N366-A481 WeakPolarHBondContact CB-O 3.39Å; Q367-A481 PolarHBondContact N-O 3.11Å; G368-A481 CarbonylContact C-O 3.54Å; G368-A481 WeakPolarHBondContact CA-O 3.47Å; G368-A481 PolarHBondContact N-O 3.37Å; F466-A481 HydrophobicContact CD1-CB 4.41Å; H468-A481 VanDerWaalsContact O-CB 3.31Å; H468-A481 WeakPolarHBondContact O-CB 3.44Å; H469-A481 HydrophobicContact CB-CB 4.32Å
482	A	96	Very high	92.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.16	C	C	.	.			trans	-106.9	-174.8	-172.8	0	0	0	0	0	112.2	V121 N366 G368 L371 D480 G484 D485	V121-A482 HydrophobicContact CG2-CB 3.95Å; N366-A482 PolarHBondContact ND2-O 3.36Å; G368-A482 WeakPolarHBondContact O-CA 3.36Å; L371-A482 HydrophobicContact CB-CB 3.65Å; L371-A482 HydrophobicContact CD2-CB 3.74Å; L371-A482 HydrophobicContact CG-CB 4.33Å; D480-A482 PolarHBondContact O-N 3.33Å; D480-A482 VanDerWaalsContact O-N 3.17Å; A482-G484 PolarHBondContact O-N 3.34Å; A482-D485 PolarHBondContact N-OD2 3.48Å; A482-D485 WeakPolarHBondContact O-CB 3.43Å; A482-D485 PolarHBondContact O-N 3.14Å; A482-D485 VanDerWaalsContact O-N 3.14Å
483	H	96.9	Very high	93.2	Very high	5 Å²	5	26.5 Å²	26.5	2%	0.023	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	124.2	-170.9	-163	49.9	0	0	0	113.6	M118 P120 V121 G248 S274 E369 W443	M118-H483 PolarHBondContact O-CD2 3.44Å; P120-H483 WeakPolarHBondContact CA-O 3.46Å; V121-H483 PolarHBondContact N-O 2.96Å; G248-H483 WeakPolarHBondContact CA-NE2 3.23Å; S274-H483 PolarHBondContact O-CE1 3.11Å; E369-H483 VanDerWaalsContact OE2-CA 3.23Å; E369-H483 WeakPolarHBondContact OE2-CA 3.47Å; E369-H483 IonicContact OE2-CE1 3.87Å; E369-H483 IonicContact OE2-CG 3.17Å; E369-H483 IonicContact OE2-ND1 2.7Å; E369-H483 PolarHBondContact OE2-ND1 3.09Å; W443-H483 AromaticContact CE2-ND1 3.86Å; W443-H483 HydrophobicContact CZ2-CB 4.35Å; W443-H483 AromaticContact CZ2-CG 3.94Å; W443-H483 AromaticContact CZ2-ND1 3.93Å; W443-H483 AromaticContact NE1-CE1 3.48Å; W443-H483 PolarHBondContact NE1-CE1 2.95Å; W443-H483 AromaticContact NE1-ND1 3.5Å; W443-H483 PolarHBondContact NE1-ND1 3.15Å
484	G	95	Very high	94	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	12.6	-179.4	0	0	0	0	0	116.7	W122 A482 E486 V487	W122-G484 VanDerWaalsContact CD1-O 3.25Å; W122-G484 PolarHBondContact NE1-O 2.89Å; W122-G484 VanDerWaalsContact NE1-O 3.15Å; A482-G484 PolarHBondContact O-N 3.34Å; G484-E486 VanDerWaalsContact C-OE2 3.23Å; G484-E486 VanDerWaalsContact CA-OE2 3.27Å; G484-E486 WeakPolarHBondContact CA-OE2 3.28Å; G484-E486 PolarHBondContact O-N 3.45Å; G484-V487 WeakPolarHBondContact O-CB 3.31Å; G484-V487 WeakPolarHBondContact O-CG2 3.37Å; G484-V487 PolarHBondContact O-N 2.99Å
485	D	96.6	Very high	94.7	Very high	10 Å²	10	15.4 Å²	15.4	5%	0.053	10%	0.097	C	C	.	.			trans	-68.1	-19.5	177.2	-87.7	-25.1	0	0	0	114.5	H469 K475 A482 P488 Y489	H469-D485 HydrophobicContact CB-CB 4.1Å; H469-D485 WeakPolarHBondContact CB-OD2 3.34Å; K475-D485 IonicContact NZ-OD1 3.63Å; K475-D485 PolarHBondContact NZ-OD1 3.39Å; K475-D485 IonicContact NZ-OD2 2.74Å; K475-D485 PolarHBondContact NZ-OD2 3.24Å; A482-D485 PolarHBondContact N-OD2 3.48Å; A482-D485 WeakPolarHBondContact O-CB 3.43Å; A482-D485 PolarHBondContact O-N 3.14Å; A482-D485 VanDerWaalsContact O-N 3.14Å; D485-P488 WeakPolarHBondContact O-CD 3.45Å; D485-P488 WeakPolarHBondContact O-CG 3.43Å; D485-Y489 WeakPolarHBondContact O-CD2 3.42Å; D485-Y489 VanDerWaalsContact O-CE2 3.29Å; D485-Y489 WeakPolarHBondContact O-CE2 3.42Å
486	E	98	Very high	95	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	-78.1	-26.7	178.2	83.6	-58.6	158.7	0	0	112.3	S247 Q273 N366 F466 G484 Y489 V490	S247-E486 PolarHBondContact OG-OE1 2.98Å; S247-E486 VanDerWaalsContact OG-OE1 3.12Å; Q273-E486 WeakPolarHBondContact CB-OE1 3.38Å; Q273-E486 PolarHBondContact NE2-OE1 3.4Å; N366-E486 PolarHBondContact ND2-OE2 3.12Å; F466-E486 HydrophobicContact CD1-CB 3.85Å; F466-E486 HydrophobicContact CD2-CB 3.97Å; F466-E486 HydrophobicContact CE1-CB 3.82Å; F466-E486 HydrophobicContact CE2-CB 3.97Å; F466-E486 HydrophobicContact CG-CB 3.93Å; F466-E486 HydrophobicContact CZ-CB 3.9Å; G484-E486 VanDerWaalsContact C-OE2 3.23Å; G484-E486 VanDerWaalsContact CA-OE2 3.27Å; G484-E486 WeakPolarHBondContact CA-OE2 3.28Å; G484-E486 PolarHBondContact O-N 3.45Å; E486-Y489 WeakPolarHBondContact O-CB 3.48Å; E486-Y489 PolarHBondContact O-N 3.4Å; E486-V490 WeakPolarHBondContact O-CG2 3.23Å; E486-V490 PolarHBondContact O-N 2.97Å
487	V	97.6	Very high	95.1	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-48.2	-54.6	179.6	179	0	0	0	0	113.5	W122 I179 G484 Y489 V490 F491 F502	W122-V487 HydrophobicContact CZ2-CG1 4.39Å; I179-V487 HydrophobicContact CD1-CG1 4.04Å; G484-V487 WeakPolarHBondContact O-CB 3.31Å; G484-V487 WeakPolarHBondContact O-CG2 3.37Å; G484-V487 PolarHBondContact O-N 2.99Å; V487-Y489 PolarHBondContact O-N 3.22Å; V487-V490 PolarHBondContact O-N 3.32Å; V487-V490 VanDerWaalsContact O-N 3.16Å; V487-F491 HydrophobicContact CG1-CD2 3.86Å; V487-F491 HydrophobicContact CG1-CE2 4.19Å; V487-F491 WeakPolarHBondContact O-CD2 3.49Å; V487-F491 PolarHBondContact O-N 3.49Å; V487-F502 HydrophobicContact CG1-CZ 4.17Å
488	P	97	Very high	95.2	Very high	3 Å²	3	14.7 Å²	14.7	2%	0.019	9%	0.088	C	C	.	.	H	α-helix	trans	-61.1	-28.7	179.2	22.6	-34.3	0	0	0	113.7	D485 G492 V493 P494 F502 F506	D485-P488 WeakPolarHBondContact O-CD 3.45Å; D485-P488 WeakPolarHBondContact O-CG 3.43Å; P488-G492 PolarHBondContact O-N 3.44Å; P488-V493 HydrophobicContact CB-CB 4.02Å; P488-V493 HydrophobicContact CB-CG2 4.05Å; P488-V493 PolarHBondContact O-N 3.25Å; P488-P494 WeakPolarHBondContact O-CD 3.05Å; P488-F502 HydrophobicContact CB-CD1 4Å; P488-F502 HydrophobicContact CB-CE1 4.25Å; P488-F502 HydrophobicContact CB-CG 4.31Å; P488-F502 HydrophobicContact CG-CD1 4.26Å; P488-F502 HydrophobicContact CG-CE1 4.41Å; P488-F506 HydrophobicContact CB-CE1 4.44Å; P488-F506 HydrophobicContact CB-CZ 4.16Å
489	Y	98.4	Very high	95.3	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-76.4	-37.3	176.5	-60.4	-89.5	0	0	0	112	F466 H468 C470 D485 E486 V487 G492 P494 D510 L513 S514	F466-Y489 AromaticContact CE1-CD2 3.96Å; F466-Y489 HydrophobicContact CE1-CD2 3.96Å; F466-Y489 HydrophobicContact CE1-CE2 4.19Å; F466-Y489 AromaticContact CZ-CD2 3.66Å; F466-Y489 HydrophobicContact CZ-CD2 3.66Å; F466-Y489 HydrophobicContact CZ-CE2 4.23Å; F466-Y489 AromaticContact CZ-CG 3.93Å; F466-Y489 HydrophobicContact CZ-CG 3.93Å; H468-Y489 AromaticContact CD2-CE1 3.88Å; H468-Y489 AromaticContact CD2-CZ 3.6Å; H468-Y489 PolarHBondContact CD2-OH 3.37Å; H468-Y489 VanDerWaalsContact CD2-OH 3.25Å; H468-Y489 AromaticContact NE2-CZ 4Å; H468-Y489 PolarHBondContact NE2-OH 3.46Å; C470-Y489 WeakPolarHBondContact CA-OH 3.07Å; C470-Y489 WeakPolarHBondContact CB-OH 3.48Å; C470-Y489 PolarHBondContact N-OH 3.03Å; D485-Y489 WeakPolarHBondContact O-CD2 3.42Å; D485-Y489 VanDerWaalsContact O-CE2 3.29Å; D485-Y489 WeakPolarHBondContact O-CE2 3.42Å; E486-Y489 WeakPolarHBondContact O-CB 3.48Å; E486-Y489 PolarHBondContact O-N 3.4Å; V487-Y489 PolarHBondContact O-N 3.22Å; Y489-G492 PolarHBondContact O-N 3.32Å; Y489-P494 HydrophobicContact CD1-CG 4.13Å; Y489-P494 HydrophobicContact CE1-CG 4.23Å; Y489-D510 HydrophobicContact CE1-CB 3.81Å; Y489-D510 WeakPolarHBondContact CE1-OD1 3.02Å; Y489-D510 PolarHBondContact OH-OD1 3.11Å; Y489-L513 HydrophobicContact CD1-CB 4.25Å; Y489-L513 HydrophobicContact CD1-CD2 4.1Å; Y489-L513 HydrophobicContact CD1-CG 4.23Å; Y489-L513 HydrophobicContact CE1-CB 4.44Å; Y489-L513 HydrophobicContact CE1-CD2 4.07Å; Y489-S514 PolarHBondContact O-OG 3.07Å
490	V	98.7	Very high	95.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-65.4	-37.4	174.6	174.2	0	0	0	0	111.8	F245 E486 V487 V517 M518 W521	F245-V490 HydrophobicContact CD2-CG1 4.5Å; F245-V490 HydrophobicContact CE2-CG1 3.92Å; E486-V490 WeakPolarHBondContact O-CG2 3.23Å; E486-V490 PolarHBondContact O-N 2.97Å; V487-V490 PolarHBondContact O-N 3.32Å; V487-V490 VanDerWaalsContact O-N 3.16Å; V490-V517 HydrophobicContact CB-CG1 4.34Å; V490-V517 HydrophobicContact CG2-CG1 3.59Å; V490-M518 VanDerWaalsContact O-CG 3.29Å; V490-M518 WeakPolarHBondContact O-CG 3.34Å; V490-W521 HydrophobicContact CG1-CG 4.4Å; V490-W521 HydrophobicContact CG2-CD2 4.36Å; V490-W521 HydrophobicContact CG2-CZ2 3.94Å
491	F	98.2	Very high	94.9	Very high	5 Å²	5	19.2 Å²	19.2	2%	0.022	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	8.9	179.9	-71.9	-74.5	0	0	0	115	Y165 I179 L184 F245 V487 V493	Y165-F491 HydrophobicContact CD1-CZ 4.17Å; Y165-F491 HydrophobicContact CD2-CE2 4.09Å; Y165-F491 AromaticContact CD2-CZ 3.6Å; Y165-F491 HydrophobicContact CD2-CZ 3.6Å; Y165-F491 HydrophobicContact CE1-CE2 4.5Å; Y165-F491 HydrophobicContact CE1-CZ 4.42Å; Y165-F491 AromaticContact CE2-CE2 3.85Å; Y165-F491 HydrophobicContact CE2-CE2 3.85Å; Y165-F491 AromaticContact CE2-CZ 3.87Å; Y165-F491 HydrophobicContact CE2-CZ 3.87Å; Y165-F491 HydrophobicContact CG-CE2 4.48Å; Y165-F491 AromaticContact CG-CZ 3.74Å; Y165-F491 HydrophobicContact CG-CZ 3.74Å; I179-F491 HydrophobicContact CG2-CD1 3.46Å; I179-F491 VanDerWaalsContact CG2-CD1 3.46Å; I179-F491 HydrophobicContact CG2-CD2 3.73Å; I179-F491 HydrophobicContact CG2-CE1 3.31Å; I179-F491 HydrophobicContact CG2-CE2 3.58Å; I179-F491 HydrophobicContact CG2-CG 3.68Å; I179-F491 HydrophobicContact CG2-CZ 3.38Å; L184-F491 HydrophobicContact CD2-CD1 4.15Å; L184-F491 HydrophobicContact CD2-CE1 4Å; F245-F491 HydrophobicContact CE2-CE1 4.11Å; F245-F491 HydrophobicContact CE2-CE2 4.15Å; F245-F491 AromaticContact CE2-CZ 3.47Å; F245-F491 HydrophobicContact CE2-CZ 3.47Å; F245-F491 VanDerWaalsContact CE2-CZ 3.47Å; F245-F491 AromaticContact CZ-CE1 3.83Å; F245-F491 HydrophobicContact CZ-CE1 3.83Å; F245-F491 AromaticContact CZ-CZ 3.56Å; F245-F491 HydrophobicContact CZ-CZ 3.56Å; V487-F491 HydrophobicContact CG1-CD2 3.86Å; V487-F491 HydrophobicContact CG1-CE2 4.19Å; V487-F491 WeakPolarHBondContact O-CD2 3.49Å; V487-F491 PolarHBondContact O-N 3.49Å; F491-V493 VanDerWaalsContact C-N 3.28Å; F491-V493 HydrophobicContact CB-CG2 4.42Å; F491-V493 PolarHBondContact O-N 3.02Å
492	G	96.9	Very high	94.7	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	10.3	171.8	0	0	0	0	0	115.6	P488 Y489 P494 M495 S514 M518	P488-G492 PolarHBondContact O-N 3.44Å; Y489-G492 PolarHBondContact O-N 3.32Å; G492-P494 VanDerWaalsContact C-CD 3.45Å; G492-P494 VanDerWaalsContact C-N 3.34Å; G492-M495 VanDerWaalsContact O-CB 3.28Å; G492-M495 WeakPolarHBondContact O-CB 3.28Å; G492-M495 PolarHBondContact O-N 2.99Å; G492-S514 VanDerWaalsContact CA-OG 3.31Å; G492-S514 WeakPolarHBondContact CA-OG 3.49Å; G492-M518 VanDerWaalsContact CA-SD 3.58Å
493	V	95.8	Very high	94.4	Very high	14 Å²	14	22.6 Å²	22.6	9%	0.085	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-53.8	-40.7	-174.5	-172.8	0	0	0	0	113.1	P488 F491 M495 V496 G497 T499 F502 F506	P488-V493 HydrophobicContact CB-CB 4.02Å; P488-V493 HydrophobicContact CB-CG2 4.05Å; P488-V493 PolarHBondContact O-N 3.25Å; F491-V493 VanDerWaalsContact C-N 3.28Å; F491-V493 HydrophobicContact CB-CG2 4.42Å; F491-V493 PolarHBondContact O-N 3.02Å; V493-M495 PolarHBondContact O-N 3.26Å; V493-V496 VanDerWaalsContact O-CG2 3.3Å; V493-V496 WeakPolarHBondContact O-CG2 3.48Å; V493-V496 PolarHBondContact O-N 3.28Å; V493-G497 PolarHBondContact O-N 3.14Å; V493-G497 VanDerWaalsContact O-N 3.14Å; V493-T499 HydrophobicContact CG1-CG2 4.01Å; V493-F502 HydrophobicContact CG1-CB 4Å; V493-F502 HydrophobicContact CG1-CD2 4.14Å; V493-F502 HydrophobicContact CG1-CG 4.35Å; V493-F502 HydrophobicContact CG2-CD2 3.92Å; V493-F502 HydrophobicContact CG2-CE2 4.17Å; V493-F506 HydrophobicContact CB-CE2 4.46Å; V493-F506 HydrophobicContact CB-CZ 4.39Å; V493-F506 HydrophobicContact CG1-CE2 3.76Å; V493-F506 HydrophobicContact CG1-CZ 4.04Å
494	P	95.4	Very high	93.9	Very high	7 Å²	7	23 Å²	23	5%	0.045	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-54.5	-24.6	174.5	-29.2	37	0	0	0	115.2	P488 Y489 G492 F506 D510 V511	P488-P494 WeakPolarHBondContact O-CD 3.05Å; Y489-P494 HydrophobicContact CD1-CG 4.13Å; Y489-P494 HydrophobicContact CE1-CG 4.23Å; G492-P494 VanDerWaalsContact C-CD 3.45Å; G492-P494 VanDerWaalsContact C-N 3.34Å; P494-F506 HydrophobicContact CB-CB 4.11Å; P494-F506 HydrophobicContact CB-CD1 4.05Å; P494-F506 HydrophobicContact CB-CG 4Å; P494-F506 HydrophobicContact CG-CD1 3.63Å; P494-F506 HydrophobicContact CG-CE1 3.81Å; P494-F506 HydrophobicContact CG-CG 4.05Å; P494-F506 HydrophobicContact CG-CZ 4.37Å; P494-D510 HydrophobicContact CB-CB 4.13Å; P494-D510 HydrophobicContact CG-CB 4.22Å; P494-V511 HydrophobicContact CB-CG2 4.27Å; P494-V511 WeakPolarHBondContact O-CG2 3.44Å
495	M	92.9	Very high	93.7	Very high	24 Å²	24	28.6 Å²	28.6	12%	0.118	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-74.4	-23.7	179.9	-58.7	-167.9	172.9	0	0	113.9	L63 I183 Y187 G492 V493 V511 A515 M518 I541	L63-M495 HydrophobicContact CD1-SD 4.35Å; I183-M495 HydrophobicContact CG2-CB 4.36Å; I183-M495 HydrophobicContact CG2-SD 4.01Å; Y187-M495 HydrophobicContact CD2-CE 3.76Å; Y187-M495 HydrophobicContact CD2-SD 4.04Å; Y187-M495 HydrophobicContact CE2-CE 3.74Å; G492-M495 VanDerWaalsContact O-CB 3.28Å; G492-M495 WeakPolarHBondContact O-CB 3.28Å; G492-M495 PolarHBondContact O-N 2.99Å; V493-M495 PolarHBondContact O-N 3.26Å; M495-V511 HydrophobicContact CG-CG1 4.33Å; M495-A515 HydrophobicContact CE-CB 3.58Å; M495-M518 HydrophobicContact CE-CE 3.27Å; M495-M518 HydrophobicContact SD-CE 3.6Å; M495-I541 HydrophobicContact CE-CG1 3.95Å; M495-I541 HydrophobicContact SD-CD1 3.98Å; M495-I541 HydrophobicContact SD-CG1 4Å
496	V	91.6	Very high	93.5	Very high	55 Å²	55	29.3 Å²	29.3	33%	0.333	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-19	175.8	-55.2	0	0	0	0	112.5	P59 I183 V493 T499	P59-V496 HydrophobicContact CG-CB 3.95Å; P59-V496 HydrophobicContact CG-CG1 3.62Å; I183-V496 HydrophobicContact CD1-CG1 3.45Å; I183-V496 VanDerWaalsContact CD1-CG1 3.45Å; I183-V496 HydrophobicContact CG1-CG1 3.94Å; V493-V496 VanDerWaalsContact O-CG2 3.3Å; V493-V496 WeakPolarHBondContact O-CG2 3.48Å; V493-V496 PolarHBondContact O-N 3.28Å; V496-T499 HydrophobicContact CG2-CG2 4.08Å
497	G	90.1	Very high	93.3	Very high	15 Å²	15	31.6 Å²	31.6	16%	0.155	19%	0.187	C	C	.	.			trans	101.2	-166.9	-178.4	0	0	0	0	0	112.8	V493	V493-G497 PolarHBondContact O-N 3.14Å; V493-G497 VanDerWaalsContact O-N 3.14Å
498	P	90.9	Very high	93.2	Very high	86 Å²	86	37.9 Å²	37.9	56%	0.558	21%	0.214	S	C	*	.			trans	-61.2	138.5	176.7	-14.7	27.1	0	0	0	110.8	C504	P498-C504 WeakPolarHBondContact CG-O 3.42Å
499	T	91.3	Very high	93.1	Very high	51 Å²	51	39.7 Å²	39.7	31%	0.313	22%	0.224	S	C	.	.			trans	-120.7	167.8	172.7	69	0	0	0	0	110	V493 V496 L501 F502 P503	V493-T499 HydrophobicContact CG1-CG2 4.01Å; V496-T499 HydrophobicContact CG2-CG2 4.08Å; T499-L501 PolarHBondContact O-N 3Å; T499-F502 PolarHBondContact N-O 3.08Å; T499-F502 VanDerWaalsContact N-O 3.12Å; T499-F502 CarbonylContact O-C 3.57Å; T499-F502 PolarHBondContact O-N 2.94Å; T499-F502 PolarHBondContact OG1-N 3.47Å; T499-F502 VanDerWaalsContact OG1-N 3.15Å; T499-P503 WeakPolarHBondContact O-CA 3.44Å; T499-P503 VanDerWaalsContact O-N 3.11Å
500	D	89.3	Confident	93.1	Very high	124 Å²	124	40 Å²	40	66%	0.663	23%	0.226	S	C	*	.	S	Bend	trans	-59.8	-36.5	179.4	-58.2	-37.4	0	0	0	112.2	I129	I129-D500 HydrophobicContact CD1-CB 4.26Å; I129-D500 HydrophobicContact CG1-CB 4.46Å; I129-D500 HydrophobicContact CG2-CB 3.95Å
501	L	90.4	Very high	92.9	Very high	3 Å²	3	41 Å²	41	2%	0.016	23%	0.231	C	C	.	.	S	Bend	trans	-80.2	-30.4	177.9	-172.6	64.6	0	0	0	112.7	W122 N126 I129 V130 M178 T499 P503	W122-L501 HydrophobicContact CE3-CD1 4.08Å; W122-L501 HydrophobicContact CE3-CD2 4.46Å; W122-L501 HydrophobicContact CE3-CG 4.17Å; W122-L501 HydrophobicContact CZ3-CD1 4.08Å; W122-L501 HydrophobicContact CZ3-CD2 4.11Å; W122-L501 HydrophobicContact CZ3-CG 4.24Å; N126-L501 PolarHBondContact ND2-O 3.29Å; I129-L501 HydrophobicContact CG2-CB 4.4Å; I129-L501 HydrophobicContact CG2-CD1 4.4Å; V130-L501 HydrophobicContact CG2-CD1 3.8Å; M178-L501 HydrophobicContact CB-CD2 3.95Å; M178-L501 HydrophobicContact CG-CD2 4.44Å; M178-L501 WeakPolarHBondContact O-CD2 3.31Å; T499-L501 PolarHBondContact O-N 3Å; L501-P503 VanDerWaalsContact C-CD 3.43Å; L501-P503 WeakPolarHBondContact O-CD 3.48Å
502	F	91.9	Very high	92.8	Very high	17 Å²	17	40.8 Å²	40.8	8%	0.075	23%	0.23	C	C	.	.			trans	-122.8	74.1	178.2	-59.1	-75.6	0	0	0	110.3	W122 I179 V487 P488 V493 T499 C504 F506	W122-F502 HydrophobicContact CB-CD1 4.17Å; W122-F502 HydrophobicContact CB-CE1 4.14Å; W122-F502 AromaticContact CD1-CE1 3.85Å; W122-F502 HydrophobicContact CD2-CD1 4.46Å; W122-F502 AromaticContact CD2-CE1 3.61Å; W122-F502 HydrophobicContact CD2-CE1 3.61Å; W122-F502 HydrophobicContact CD2-CZ 4.18Å; W122-F502 AromaticContact CE2-CE1 3.92Å; W122-F502 HydrophobicContact CE3-CE1 4.08Å; W122-F502 HydrophobicContact CE3-CZ 4.34Å; W122-F502 HydrophobicContact CG-CD1 4.15Å; W122-F502 AromaticContact CG-CE1 3.62Å; W122-F502 HydrophobicContact CG-CE1 3.62Å; W122-F502 AromaticContact NE1-CE1 3.99Å; I179-F502 HydrophobicContact CD1-CZ 4.31Å; V487-F502 HydrophobicContact CG1-CZ 4.17Å; P488-F502 HydrophobicContact CB-CD1 4Å; P488-F502 HydrophobicContact CB-CE1 4.25Å; P488-F502 HydrophobicContact CB-CG 4.31Å; P488-F502 HydrophobicContact CG-CD1 4.26Å; P488-F502 HydrophobicContact CG-CE1 4.41Å; V493-F502 HydrophobicContact CG1-CB 4Å; V493-F502 HydrophobicContact CG1-CD2 4.14Å; V493-F502 HydrophobicContact CG1-CG 4.35Å; V493-F502 HydrophobicContact CG2-CD2 3.92Å; V493-F502 HydrophobicContact CG2-CE2 4.17Å; T499-F502 PolarHBondContact N-O 3.08Å; T499-F502 VanDerWaalsContact N-O 3.12Å; T499-F502 CarbonylContact O-C 3.57Å; T499-F502 PolarHBondContact O-N 2.94Å; T499-F502 PolarHBondContact OG1-N 3.47Å; T499-F502 VanDerWaalsContact OG1-N 3.15Å; F502-C504 PolarHBondContact O-N 2.91Å; F502-F506 HydrophobicContact CB-CZ 4.42Å
503	P	88.4	Confident	92.9	Very high	55 Å²	55	40.8 Å²	40.8	36%	0.357	23%	0.23	S	C	.	.			trans	-77.5	43.7	-177.3	34.1	-38.8	0	0	0	112.3	M474 T499 L501	M474-P503 HydrophobicContact SD-CG 3.76Å; T499-P503 WeakPolarHBondContact O-CA 3.44Å; T499-P503 VanDerWaalsContact O-N 3.11Å; L501-P503 VanDerWaalsContact C-CD 3.43Å; L501-P503 WeakPolarHBondContact O-CD 3.48Å
504	C	88	Confident	93	Very high	13 Å²	13	40.1 Å²	40.1	9%	0.088	23%	0.226	C	C	.	.			trans	-89.2	138.4	-179.3	-109.2	0	0	0	0	111.3	C470 P498 F502 F506	C470-C504 HydrophobicContact CB-CB 3.53Å; C470-C504 WeakPolarHBondContact CB-SG 3.39Å; C470-C504 WeakPolarHBondContact SG-CB 3.5Å; C470-C504 CovalentContact SG-SG 2.02Å; C470-C504 PolarHBondContact SG-SG 3.5Å; P498-C504 WeakPolarHBondContact CG-O 3.42Å; F502-C504 PolarHBondContact O-N 2.91Å; C504-F506 HydrophobicContact CB-CD1 4.14Å; C504-F506 HydrophobicContact CB-CD2 4.34Å; C504-F506 HydrophobicContact CB-CE1 3.64Å; C504-F506 HydrophobicContact CB-CE2 3.84Å; C504-F506 HydrophobicContact CB-CG 4.49Å; C504-F506 HydrophobicContact CB-CZ 3.48Å; C504-F506 VanDerWaalsContact CB-CZ 3.48Å; C504-F506 VanDerWaalsContact O-CD2 3.29Å; C504-F506 WeakPolarHBondContact O-CD2 3.41Å; C504-F506 PolarHBondContact O-N 2.95Å
505	N	89.5	Confident	93.1	Very high	119 Å²	119	39.8 Å²	39.8	64%	0.636	22%	0.224	S	C	*	.	B	Isolated β-bridge	trans	-81.8	84.5	175	-170.2	9	0	0	0	110.3	Q471 S507	Q471-N505 PolarHBondContact O-N 3.35Å; N505-S507 PolarHBondContact O-N 2.91Å
506	F	93.3	Very high	93.3	Very high	25 Å²	25	38.6 Å²	38.6	11%	0.11	22%	0.218	C	C	.	.			trans	-69.9	122.9	-176.5	-61.8	-66.3	0	0	0	112.4	C470 P488 V493 P494 F502 C504 D510	C470-F506 HydrophobicContact CB-CD1 3.74Å; C470-F506 HydrophobicContact CB-CE1 3.62Å; P488-F506 HydrophobicContact CB-CE1 4.44Å; P488-F506 HydrophobicContact CB-CZ 4.16Å; V493-F506 HydrophobicContact CB-CE2 4.46Å; V493-F506 HydrophobicContact CB-CZ 4.39Å; V493-F506 HydrophobicContact CG1-CE2 3.76Å; V493-F506 HydrophobicContact CG1-CZ 4.04Å; P494-F506 HydrophobicContact CB-CB 4.11Å; P494-F506 HydrophobicContact CB-CD1 4.05Å; P494-F506 HydrophobicContact CB-CG 4Å; P494-F506 HydrophobicContact CG-CD1 3.63Å; P494-F506 HydrophobicContact CG-CE1 3.81Å; P494-F506 HydrophobicContact CG-CG 4.05Å; P494-F506 HydrophobicContact CG-CZ 4.37Å; F502-F506 HydrophobicContact CB-CZ 4.42Å; C504-F506 HydrophobicContact CB-CD1 4.14Å; C504-F506 HydrophobicContact CB-CD2 4.34Å; C504-F506 HydrophobicContact CB-CE1 3.64Å; C504-F506 HydrophobicContact CB-CE2 3.84Å; C504-F506 HydrophobicContact CB-CG 4.49Å; C504-F506 HydrophobicContact CB-CZ 3.48Å; C504-F506 VanDerWaalsContact CB-CZ 3.48Å; C504-F506 VanDerWaalsContact O-CD2 3.29Å; C504-F506 WeakPolarHBondContact O-CD2 3.41Å; C504-F506 PolarHBondContact O-N 2.95Å; F506-D510 HydrophobicContact CB-CB 4.14Å; F506-D510 HydrophobicContact CD1-CB 4.02Å
507	S	94.6	Very high	93.7	Very high	47 Å²	47	36 Å²	36	33%	0.329	20%	0.203	S	C	.	.			trans	-84.8	168.8	174.3	82.2	0	0	0	0	111.7	N505 N509 D510 V511	N505-S507 PolarHBondContact O-N 2.91Å; S507-N509 PolarHBondContact O-N 3.47Å; S507-N509 VanDerWaalsContact O-N 3.11Å; S507-N509 PolarHBondContact OG-N 2.9Å; S507-N509 VanDerWaalsContact OG-N 3.12Å; S507-D510 WeakPolarHBondContact CA-OD2 3.31Å; S507-D510 WeakPolarHBondContact CB-OD2 3.2Å; S507-D510 PolarHBondContact N-OD2 3.48Å; S507-D510 WeakPolarHBondContact O-CA 3.38Å; S507-D510 VanDerWaalsContact O-CB 3.31Å; S507-D510 WeakPolarHBondContact O-CB 3.4Å; S507-D510 PolarHBondContact O-N 3.5Å; S507-D510 PolarHBondContact OG-N 3.28Å; S507-D510 PolarHBondContact OG-OD2 3.1Å; S507-V511 PolarHBondContact O-N 2.97Å
508	K	94.5	Very high	94.1	Very high	133 Å²	133	35.3 Å²	35.3	58%	0.578	20%	0.195	S	C	*	.	H	α-helix	trans	-59.6	-20.8	170.7	-63.5	-170	178	-173.1	0	114	M512 T543 K544	K508-M512 PolarHBondContact O-N 3.39Å; K508-T543 WeakPolarHBondContact CB-OG1 3.2Å; K508-T543 PolarHBondContact O-OG1 3.49Å; K508-K544 HydrophobicContact CB-CG 3.78Å
509	N	95.8	Very high	94.4	Very high	41 Å²	41	31.4 Å²	31.4	22%	0.219	17%	0.17	C	C	.	.	H	α-helix	trans	-75.7	-30.4	172.1	-62.4	-60.3	0	0	0	111.4	S507 M512 L513 R547 L568	S507-N509 PolarHBondContact O-N 3.47Å; S507-N509 VanDerWaalsContact O-N 3.11Å; S507-N509 PolarHBondContact OG-N 2.9Å; S507-N509 VanDerWaalsContact OG-N 3.12Å; N509-M512 PolarHBondContact O-N 2.9Å; N509-L513 WeakPolarHBondContact O-CB 3.48Å; N509-L513 PolarHBondContact O-N 2.84Å; N509-R547 PolarHBondContact OD1-NH2 3.29Å; N509-L568 HydrophobicContact CB-CD1 4.31Å; N509-L568 HydrophobicContact CB-CD2 3.8Å
510	D	96.6	Very high	94.8	Very high	7 Å²	7	29 Å²	29	4%	0.037	16%	0.155	C	C	.	.	H	α-helix	trans	-70.9	-39.6	176.9	-59.5	-83.1	0	0	0	111.4	H468 Y489 P494 F506 S507 L513 S514	H468-D510 IonicContact CD2-OD1 3.77Å; H468-D510 IonicContact CE1-OD1 3.26Å; H468-D510 IonicContact NE2-OD1 2.72Å; H468-D510 PolarHBondContact NE2-OD1 2.9Å; Y489-D510 HydrophobicContact CE1-CB 3.81Å; Y489-D510 WeakPolarHBondContact CE1-OD1 3.02Å; Y489-D510 PolarHBondContact OH-OD1 3.11Å; P494-D510 HydrophobicContact CB-CB 4.13Å; P494-D510 HydrophobicContact CG-CB 4.22Å; F506-D510 HydrophobicContact CB-CB 4.14Å; F506-D510 HydrophobicContact CD1-CB 4.02Å; S507-D510 WeakPolarHBondContact CA-OD2 3.31Å; S507-D510 WeakPolarHBondContact CB-OD2 3.2Å; S507-D510 PolarHBondContact N-OD2 3.48Å; S507-D510 WeakPolarHBondContact O-CA 3.38Å; S507-D510 VanDerWaalsContact O-CB 3.31Å; S507-D510 WeakPolarHBondContact O-CB 3.4Å; S507-D510 PolarHBondContact O-N 3.5Å; S507-D510 PolarHBondContact OG-N 3.28Å; S507-D510 PolarHBondContact OG-OD2 3.1Å; D510-L513 PolarHBondContact O-N 2.88Å; D510-S514 WeakPolarHBondContact O-CB 3.14Å; D510-S514 PolarHBondContact O-N 2.71Å
511	V	95.9	Very high	95.2	Very high	20 Å²	20	23.1 Å²	23.1	12%	0.121	12%	0.124	C	C	.	.	H	α-helix	trans	-58.6	-47.8	171.4	-173.3	0	0	0	0	111.1	P494 M495 S507 S514 A515 I541 T543	P494-V511 HydrophobicContact CB-CG2 4.27Å; P494-V511 WeakPolarHBondContact O-CG2 3.44Å; M495-V511 HydrophobicContact CG-CG1 4.33Å; S507-V511 PolarHBondContact O-N 2.97Å; V511-S514 PolarHBondContact O-N 2.69Å; V511-A515 WeakPolarHBondContact O-CB 3.44Å; V511-A515 PolarHBondContact O-N 2.58Å; V511-I541 WeakPolarHBondContact CG1-O 3.44Å; V511-T543 HydrophobicContact CB-CG2 4.48Å; V511-T543 HydrophobicContact CG1-CG2 3.92Å
512	M	96.5	Very high	95.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.4	-45.9	176.1	-178.8	-80.1	-55.6	0	0	111.8	K508 N509 A515 V516 H542 K544 R547 L568	K508-M512 PolarHBondContact O-N 3.39Å; N509-M512 PolarHBondContact O-N 2.9Å; M512-A515 PolarHBondContact O-N 2.96Å; M512-V516 VanDerWaalsContact O-CG2 3.31Å; M512-V516 WeakPolarHBondContact O-CG2 3.42Å; M512-V516 PolarHBondContact O-N 3.38Å; M512-V516 HydrophobicContact SD-CG2 3.89Å; M512-H542 HydrophobicContact CB-CB 4.31Å; M512-H542 HydrophobicContact CG-CB 4.25Å; M512-H542 PolarHBondContact N-O 3.49Å; M512-K544 HydrophobicContact CB-CB 4.18Å; M512-K544 HydrophobicContact CG-CB 4.39Å; M512-R547 HydrophobicContact CE-CG 4Å; M512-R547 HydrophobicContact SD-CG 4.49Å; M512-L568 HydrophobicContact CE-CD2 4.35Å
513	L	97.7	Very high	95.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-66.5	-39.2	-179.7	-173.7	65.4	0	0	0	112.2	F466 H468 Y489 N509 D510 V516 V517 F548 I566	F466-L513 HydrophobicContact CZ-CD2 4.24Å; H468-L513 HydrophobicContact CB-CD2 3.63Å; H468-L513 WeakPolarHBondContact CD2-CD2 3.48Å; Y489-L513 HydrophobicContact CD1-CB 4.25Å; Y489-L513 HydrophobicContact CD1-CD2 4.1Å; Y489-L513 HydrophobicContact CD1-CG 4.23Å; Y489-L513 HydrophobicContact CE1-CB 4.44Å; Y489-L513 HydrophobicContact CE1-CD2 4.07Å; N509-L513 WeakPolarHBondContact O-CB 3.48Å; N509-L513 PolarHBondContact O-N 2.84Å; D510-L513 PolarHBondContact O-N 2.88Å; L513-V516 WeakPolarHBondContact O-CB 2.78Å; L513-V516 PolarHBondContact O-N 2.77Å; L513-V517 HydrophobicContact CG-CG2 4.41Å; L513-V517 WeakPolarHBondContact O-CB 3.11Å; L513-V517 VanDerWaalsContact O-CG2 3.27Å; L513-V517 WeakPolarHBondContact O-CG2 3.41Å; L513-V517 PolarHBondContact O-N 3.46Å; L513-F548 HydrophobicContact CD1-CE2 3.77Å; L513-F548 HydrophobicContact CD1-CZ 3.7Å; L513-I566 HydrophobicContact CD1-CG2 3.9Å
514	S	97.9	Very high	96.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-64.9	-41.8	176.2	177.2	0	0	0	0	112	Y489 G492 D510 V511 V516 V517 M518	Y489-S514 PolarHBondContact O-OG 3.07Å; G492-S514 VanDerWaalsContact CA-OG 3.31Å; G492-S514 WeakPolarHBondContact CA-OG 3.49Å; D510-S514 WeakPolarHBondContact O-CB 3.14Å; D510-S514 PolarHBondContact O-N 2.71Å; V511-S514 PolarHBondContact O-N 2.69Å; S514-V516 VanDerWaalsContact C-N 3.32Å; S514-V516 PolarHBondContact O-N 3.45Å; S514-V517 PolarHBondContact O-N 3.35Å; S514-M518 WeakPolarHBondContact O-CB 3.07Å; S514-M518 WeakPolarHBondContact O-CG 3.18Å; S514-M518 PolarHBondContact O-N 2.92Å
515	A	97.6	Very high	96.9	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-58.3	-43	171.8	0	0	0	0	0	112.3	Y187 M495 V511 M512 T519 H542	Y187-A515 HydrophobicContact CE2-CB 4.06Å; Y187-A515 PolarHBondContact OH-O 3.23Å; M495-A515 HydrophobicContact CE-CB 3.58Å; V511-A515 WeakPolarHBondContact O-CB 3.44Å; V511-A515 PolarHBondContact O-N 2.58Å; M512-A515 PolarHBondContact O-N 2.96Å; A515-T519 WeakPolarHBondContact O-CB 3.28Å; A515-T519 PolarHBondContact O-N 2.69Å; A515-T519 PolarHBondContact O-OG1 3.26Å; A515-H542 WeakPolarHBondContact CB-CD2 3.28Å
516	V	98	Very high	97.3	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-61.3	-49	175.4	167.1	0	0	0	0	111.8	M512 L513 S514 T519 Y520 Q536 N546 F548	M512-V516 VanDerWaalsContact O-CG2 3.31Å; M512-V516 WeakPolarHBondContact O-CG2 3.42Å; M512-V516 PolarHBondContact O-N 3.38Å; M512-V516 HydrophobicContact SD-CG2 3.89Å; L513-V516 WeakPolarHBondContact O-CB 2.78Å; L513-V516 PolarHBondContact O-N 2.77Å; S514-V516 VanDerWaalsContact C-N 3.32Å; S514-V516 PolarHBondContact O-N 3.45Å; V516-T519 WeakPolarHBondContact O-CB 3.33Å; V516-T519 PolarHBondContact O-N 3.16Å; V516-Y520 HydrophobicContact CG1-CD2 3.74Å; V516-Y520 HydrophobicContact CG1-CE2 3.44Å; V516-Y520 VanDerWaalsContact CG1-CE2 3.44Å; V516-Y520 VanDerWaalsContact O-CD2 3.3Å; V516-Y520 WeakPolarHBondContact O-CD2 3.5Å; V516-Y520 PolarHBondContact O-N 3.46Å; V516-Q536 PolarHBondContact O-NE2 3.2Å; V516-N546 WeakPolarHBondContact CG2-ND2 3.45Å; V516-N546 WeakPolarHBondContact CG2-OD1 3.35Å; V516-F548 HydrophobicContact CB-CD2 4.16Å; V516-F548 HydrophobicContact CB-CE2 4.28Å; V516-F548 HydrophobicContact CG1-CB 4.15Å; V516-F548 HydrophobicContact CG1-CD1 3.74Å; V516-F548 HydrophobicContact CG1-CD2 3.57Å; V516-F548 HydrophobicContact CG1-CE1 3.83Å; V516-F548 HydrophobicContact CG1-CE2 3.71Å; V516-F548 HydrophobicContact CG1-CG 3.58Å; V516-F548 HydrophobicContact CG1-CZ 3.8Å; V516-F548 HydrophobicContact CG2-CB 4.39Å; V516-F548 HydrophobicContact CG2-CD2 3.65Å; V516-F548 HydrophobicContact CG2-CE2 4.11Å; V516-F548 HydrophobicContact CG2-CG 4.2Å
517	V	98.6	Very high	97.5	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62.1	-51.1	-179.2	168.1	0	0	0	0	110.2	F466 V490 L513 S514 T519 Y520 W521 I566	F466-V517 HydrophobicContact CE2-CG2 4.03Å; V490-V517 HydrophobicContact CB-CG1 4.34Å; V490-V517 HydrophobicContact CG2-CG1 3.59Å; L513-V517 HydrophobicContact CG-CG2 4.41Å; L513-V517 WeakPolarHBondContact O-CB 3.11Å; L513-V517 VanDerWaalsContact O-CG2 3.27Å; L513-V517 WeakPolarHBondContact O-CG2 3.41Å; L513-V517 PolarHBondContact O-N 3.46Å; S514-V517 PolarHBondContact O-N 3.35Å; V517-T519 VanDerWaalsContact C-N 3.26Å; V517-T519 PolarHBondContact O-N 3.08Å; V517-Y520 PolarHBondContact O-N 3.23Å; V517-Y520 VanDerWaalsContact O-N 3.12Å; V517-W521 HydrophobicContact CG1-CD2 4.08Å; V517-W521 HydrophobicContact CG1-CE3 3.8Å; V517-W521 HydrophobicContact CG1-CH2 4.26Å; V517-W521 HydrophobicContact CG1-CZ2 4.5Å; V517-W521 HydrophobicContact CG1-CZ3 3.9Å; V517-W521 VanDerWaalsContact O-CE3 3.23Å; V517-W521 PolarHBondContact O-N 3.39Å; V517-I566 HydrophobicContact CG2-CG2 4.12Å
518	M	98.6	Very high	97.7	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60.4	-35.2	176.1	-69.6	-164.9	-67.7	0	0	112.5	I183 L184 Y187 V490 G492 M495 S514 T522	I183-M518 HydrophobicContact CG2-CE 4.17Å; I183-M518 HydrophobicContact CG2-SD 4.35Å; L184-M518 HydrophobicContact CB-SD 4.26Å; L184-M518 HydrophobicContact CD1-CB 4.17Å; L184-M518 HydrophobicContact CD1-CG 3.89Å; L184-M518 HydrophobicContact CD1-SD 4.03Å; Y187-M518 HydrophobicContact CD1-CB 3.62Å; Y187-M518 HydrophobicContact CD1-CE 3.86Å; Y187-M518 HydrophobicContact CD1-SD 4.3Å; Y187-M518 HydrophobicContact CD2-CE 4.02Å; Y187-M518 HydrophobicContact CE1-CB 3.74Å; Y187-M518 HydrophobicContact CE1-CE 4.4Å; Y187-M518 HydrophobicContact CG-CE 3.67Å; Y187-M518 HydrophobicContact CG-SD 4.39Å; V490-M518 VanDerWaalsContact O-CG 3.29Å; V490-M518 WeakPolarHBondContact O-CG 3.34Å; G492-M518 VanDerWaalsContact CA-SD 3.58Å; M495-M518 HydrophobicContact CE-CE 3.27Å; M495-M518 HydrophobicContact SD-CE 3.6Å; S514-M518 WeakPolarHBondContact O-CB 3.07Å; S514-M518 WeakPolarHBondContact O-CG 3.18Å; S514-M518 PolarHBondContact O-N 2.92Å; M518-T522 VanDerWaalsContact O-CB 3.29Å; M518-T522 WeakPolarHBondContact O-CB 3.33Å; M518-T522 WeakPolarHBondContact O-CG2 2.99Å; M518-T522 PolarHBondContact O-N 3.25Å; M518-T522 PolarHBondContact O-OG1 3.43Å
519	T	98.4	Very high	97.8	Very high	5 Å²	5	8.9 Å²	8.9	3%	0.031	5%	0.051	C	C	.	.	H	α-helix	trans	-61.4	-49.7	173.1	-65.6	0	0	0	0	111	Y187 A515 V516 V517 T522 N523 V534	Y187-T519 PolarHBondContact OH-OG1 3.07Å; A515-T519 WeakPolarHBondContact O-CB 3.28Å; A515-T519 PolarHBondContact O-N 2.69Å; A515-T519 PolarHBondContact O-OG1 3.26Å; V516-T519 WeakPolarHBondContact O-CB 3.33Å; V516-T519 PolarHBondContact O-N 3.16Å; V517-T519 VanDerWaalsContact C-N 3.26Å; V517-T519 PolarHBondContact O-N 3.08Å; T519-T522 PolarHBondContact O-OG1 2.87Å; T519-N523 WeakPolarHBondContact O-CB 3.4Å; T519-N523 PolarHBondContact O-N 3.38Å; T519-N523 PolarHBondContact O-ND2 3.03Å; T519-V534 HydrophobicContact CG2-CB 4.2Å; T519-V534 HydrophobicContact CG2-CG1 4.2Å
520	Y	98.8	Very high	98	Very high	1 Å²	1	7 Å²	7	0%	0.004	4%	0.041	C	C	.	.	H	α-helix	trans	-63	-46.1	178.6	-73.8	-53.6	0	0	0	113.1	V516 V517 F524 P530 Q536 F548 V551 W553 L564	V516-Y520 HydrophobicContact CG1-CD2 3.74Å; V516-Y520 HydrophobicContact CG1-CE2 3.44Å; V516-Y520 VanDerWaalsContact CG1-CE2 3.44Å; V516-Y520 VanDerWaalsContact O-CD2 3.3Å; V516-Y520 WeakPolarHBondContact O-CD2 3.5Å; V516-Y520 PolarHBondContact O-N 3.46Å; V517-Y520 PolarHBondContact O-N 3.23Å; V517-Y520 VanDerWaalsContact O-N 3.12Å; Y520-F524 WeakPolarHBondContact O-CB 3.49Å; Y520-F524 PolarHBondContact O-N 2.98Å; Y520-P530 HydrophobicContact CD1-CB 3.92Å; Y520-P530 WeakPolarHBondContact CD1-O 3.2Å; Y520-P530 HydrophobicContact CG-CB 4.48Å; Y520-Q536 VanDerWaalsContact CD2-NE2 3.34Å; Y520-Q536 HydrophobicContact CE1-CG 4.07Å; Y520-Q536 VanDerWaalsContact CZ-NE2 3.3Å; Y520-F548 AromaticContact CE2-CD1 3.78Å; Y520-F548 HydrophobicContact CE2-CD1 3.78Å; Y520-F548 HydrophobicContact CE2-CE1 4.15Å; Y520-F548 HydrophobicContact CE2-CG 4.48Å; Y520-V551 PolarHBondContact OH-O 3.14Å; Y520-W553 AromaticContact CD1-CE3 3.87Å; Y520-W553 HydrophobicContact CD1-CE3 3.87Å; Y520-W553 HydrophobicContact CD2-CE3 4.28Å; Y520-W553 HydrophobicContact CD2-CZ3 4.45Å; Y520-W553 HydrophobicContact CE1-CB 4.3Å; Y520-W553 HydrophobicContact CE1-CE3 4.31Å; Y520-W553 AromaticContact CG-CE3 3.86Å; Y520-W553 HydrophobicContact CG-CE3 3.86Å; Y520-W553 HydrophobicContact CG-CZ3 4.09Å; Y520-L564 HydrophobicContact CD2-CD2 4.22Å; Y520-L564 HydrophobicContact CE2-CD2 3.72Å
521	W	98.8	Very high	98	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-63.4	-45.8	-179.8	-92.9	-123.7	0	0	0	111.4	M163 I271 Q273 M362 Y464 V490 V517 F524 A525 W553 I566	M163-W521 HydrophobicContact CE-CB 4.3Å; I271-W521 HydrophobicContact CD1-CB 4.38Å; I271-W521 HydrophobicContact CD1-CG 4Å; I271-W521 HydrophobicContact CG2-CZ2 4.5Å; Q273-W521 HydrophobicContact CG-CZ2 4.36Å; M362-W521 HydrophobicContact SD-CD2 4.05Å; M362-W521 HydrophobicContact SD-CE3 3.99Å; M362-W521 HydrophobicContact SD-CH2 4.28Å; M362-W521 HydrophobicContact SD-CZ2 4.33Å; M362-W521 HydrophobicContact SD-CZ3 4.11Å; Y464-W521 HydrophobicContact CD1-CH2 4.01Å; Y464-W521 AromaticContact CE1-CH2 3.82Å; Y464-W521 HydrophobicContact CE1-CH2 3.82Å; Y464-W521 AromaticContact CE1-CZ2 3.91Å; Y464-W521 HydrophobicContact CE1-CZ2 3.91Å; Y464-W521 HydrophobicContact CG-CH2 4.46Å; V490-W521 HydrophobicContact CG1-CG 4.4Å; V490-W521 HydrophobicContact CG2-CD2 4.36Å; V490-W521 HydrophobicContact CG2-CZ2 3.94Å; V517-W521 HydrophobicContact CG1-CD2 4.08Å; V517-W521 HydrophobicContact CG1-CE3 3.8Å; V517-W521 HydrophobicContact CG1-CH2 4.26Å; V517-W521 HydrophobicContact CG1-CZ2 4.5Å; V517-W521 HydrophobicContact CG1-CZ3 3.9Å; V517-W521 VanDerWaalsContact O-CE3 3.23Å; V517-W521 PolarHBondContact O-N 3.39Å; W521-F524 PolarHBondContact O-N 3.38Å; W521-A525 PolarHBondContact O-N 2.77Å; W521-W553 HydrophobicContact CZ3-CH2 4.22Å; W521-W553 HydrophobicContact CZ3-CZ3 4.06Å; W521-I566 HydrophobicContact CH2-CD1 4.07Å; W521-I566 HydrophobicContact CZ3-CD1 4Å
522	T	98.6	Very high	98	Very high	3 Å²	3	13.4 Å²	13.4	2%	0.018	7%	0.069	C	C	.	.	H	α-helix	trans	-75.8	-31.9	-178.2	63.1	0	0	0	0	112.4	M163 L184 V190 M518 T519 A525 K526	M163-T522 HydrophobicContact SD-CG2 4.1Å; L184-T522 HydrophobicContact CD1-CG2 3.56Å; V190-T522 HydrophobicContact CG1-CG2 4.28Å; V190-T522 HydrophobicContact CG2-CG2 4.05Å; M518-T522 VanDerWaalsContact O-CB 3.29Å; M518-T522 WeakPolarHBondContact O-CB 3.33Å; M518-T522 WeakPolarHBondContact O-CG2 2.99Å; M518-T522 PolarHBondContact O-N 3.25Å; M518-T522 PolarHBondContact O-OG1 3.43Å; T519-T522 PolarHBondContact O-OG1 2.87Å; T522-A525 PolarHBondContact O-N 3.18Å; T522-K526 WeakPolarHBondContact O-CB 3.45Å; T522-K526 VanDerWaalsContact O-CD 3.32Å; T522-K526 WeakPolarHBondContact O-CD 3.5Å; T522-K526 WeakPolarHBondContact O-CG 3.47Å; T522-K526 PolarHBondContact O-N 3.38Å
523	N	98.6	Very high	97.9	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-60.5	-46.7	169	-85.6	-11.2	0	0	0	111.8	T519 A525 K526 T527 D529 P530 K532 P533 V534	T519-N523 WeakPolarHBondContact O-CB 3.4Å; T519-N523 PolarHBondContact O-N 3.38Å; T519-N523 PolarHBondContact O-ND2 3.03Å; N523-A525 PolarHBondContact O-N 3.44Å; N523-K526 WeakPolarHBondContact O-CB 3.44Å; N523-K526 PolarHBondContact O-N 2.97Å; N523-K526 VanDerWaalsContact O-N 3.15Å; N523-T527 PolarHBondContact O-N 2.91Å; N523-T527 PolarHBondContact O-OG1 3.12Å; N523-T527 VanDerWaalsContact O-OG1 3.08Å; N523-D529 CarbonylContact C-O 3.49Å; N523-P530 WeakPolarHBondContact CB-O 3.42Å; N523-P530 PolarHBondContact ND2-O 3.11Å; N523-K532 CarbonylContact C-O 3.54Å; N523-K532 VanDerWaalsContact C-O 3.32Å; N523-K532 WeakPolarHBondContact CA-O 3.25Å; N523-K532 WeakPolarHBondContact CB-O 3.45Å; N523-K532 VanDerWaalsContact CG-O 3.24Å; N523-K532 PolarHBondContact ND2-N 3.08Å; N523-K532 VanDerWaalsContact OD1-C 3.28Å; N523-K532 PolarHBondContact OD1-O 3.17Å; N523-P533 VanDerWaalsContact OD1-CD 3.32Å; N523-P533 WeakPolarHBondContact OD1-CD 3.4Å; N523-V534 PolarHBondContact ND2-O 3.23Å; N523-V534 WeakPolarHBondContact OD1-CB 3.44Å; N523-V534 PolarHBondContact OD1-N 3.11Å
524	F	98.8	Very high	97.7	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-60.5	-45.1	175.1	-177.4	-104.2	0	0	0	111.3	T243 R269 A270 I271 D360 M362 Y462 Y520 W521 K526 T527 G528 P530	T243-F524 HydrophobicContact CG2-CD1 4.42Å; T243-F524 HydrophobicContact CG2-CE1 4.49Å; R269-F524 HydrophobicContact CB-CE1 3.89Å; R269-F524 HydrophobicContact CB-CZ 4.29Å; R269-F524 WeakPolarHBondContact CD-O 3.48Å; R269-F524 PolarHBondContact NE-O 2.9Å; A270-F524 WeakPolarHBondContact O-CE1 3.39Å; I271-F524 HydrophobicContact CD1-CD1 3.87Å; I271-F524 HydrophobicContact CD1-CE1 4.45Å; I271-F524 HydrophobicContact CG1-CD1 3.67Å; I271-F524 HydrophobicContact CG1-CE1 3.75Å; D360-F524 HydrophobicContact CB-CE2 3.86Å; D360-F524 HydrophobicContact CB-CZ 3.7Å; D360-F524 WeakPolarHBondContact O-CZ 3.3Å; M362-F524 HydrophobicContact CB-CD1 4.16Å; M362-F524 HydrophobicContact CB-CD2 4.48Å; M362-F524 HydrophobicContact CB-CE1 3.89Å; M362-F524 HydrophobicContact CB-CE2 4.23Å; M362-F524 HydrophobicContact CB-CG 4.43Å; M362-F524 HydrophobicContact CB-CZ 3.92Å; M362-F524 HydrophobicContact CE-CB 3.58Å; M362-F524 HydrophobicContact CE-CD1 4.21Å; M362-F524 HydrophobicContact CE-CD2 4.09Å; M362-F524 HydrophobicContact CE-CG 3.71Å; Y462-F524 HydrophobicContact CD2-CD2 4.37Å; Y462-F524 HydrophobicContact CD2-CE2 4.03Å; Y462-F524 HydrophobicContact CE2-CE2 4.4Å; Y520-F524 WeakPolarHBondContact O-CB 3.49Å; Y520-F524 PolarHBondContact O-N 2.98Å; W521-F524 PolarHBondContact O-N 3.38Å; F524-K526 VanDerWaalsContact C-N 3.3Å; F524-K526 PolarHBondContact O-N 2.95Å; F524-T527 PolarHBondContact O-N 3.24Å; F524-G528 WeakPolarHBondContact CD2-O 3.36Å; F524-G528 WeakPolarHBondContact CE2-O 3.49Å; F524-G528 WeakPolarHBondContact O-CA 3.45Å; F524-G528 PolarHBondContact O-N 2.66Å; F524-P530 HydrophobicContact CB-CB 4.3Å
525	A	98.6	Very high	97.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-60.7	-37.3	174.1	0	0	0	0	0	113.3	M163 T243 R269 W521 T522 N523	M163-A525 HydrophobicContact CE-CB 4.3Å; M163-A525 HydrophobicContact CG-CB 3.61Å; M163-A525 HydrophobicContact SD-CB 3.69Å; T243-A525 HydrophobicContact CG2-CB 4.33Å; T243-A525 VanDerWaalsContact OG1-CA 3.31Å; T243-A525 WeakPolarHBondContact OG1-CA 3.33Å; R269-A525 PolarHBondContact NH1-O 3.42Å; W521-A525 PolarHBondContact O-N 2.77Å; T522-A525 PolarHBondContact O-N 3.18Å; N523-A525 PolarHBondContact O-N 3.44Å
526	K	97.4	Very high	97.3	Very high	19 Å²	19	21.5 Å²	21.5	8%	0.083	12%	0.12	C	C	.	.	H	α-helix	trans	-67.2	-40.3	177.3	-75.2	160.7	-171.6	172.9	0	113.5	P161 G188 T522 N523 F524 P533	P161-K526 HydrophobicContact CB-CG 4.44Å; P161-K526 HydrophobicContact CG-CB 4.21Å; P161-K526 HydrophobicContact CG-CG 3.45Å; P161-K526 VanDerWaalsContact CG-CG 3.45Å; G188-K526 WeakPolarHBondContact O-CE 3.47Å; G188-K526 PolarHBondContact O-NZ 3.02Å; T522-K526 WeakPolarHBondContact O-CB 3.45Å; T522-K526 VanDerWaalsContact O-CD 3.32Å; T522-K526 WeakPolarHBondContact O-CD 3.5Å; T522-K526 WeakPolarHBondContact O-CG 3.47Å; T522-K526 PolarHBondContact O-N 3.38Å; N523-K526 WeakPolarHBondContact O-CB 3.44Å; N523-K526 PolarHBondContact O-N 2.97Å; N523-K526 VanDerWaalsContact O-N 3.15Å; F524-K526 VanDerWaalsContact C-N 3.3Å; F524-K526 PolarHBondContact O-N 2.95Å; K526-P533 HydrophobicContact CD-CG 4.1Å
527	T	97.3	Very high	96.9	Very high	59 Å²	59	24.9 Å²	24.9	36%	0.362	14%	0.138	S	C	.	.	H	α-helix	trans	-138	-14.8	-162.4	69.7	0	0	0	0	117.1	N523 F524 D529 K532	N523-T527 PolarHBondContact O-N 2.91Å; N523-T527 PolarHBondContact O-OG1 3.12Å; N523-T527 VanDerWaalsContact O-OG1 3.08Å; F524-T527 PolarHBondContact O-N 3.24Å; T527-D529 VanDerWaalsContact C-N 3.26Å; T527-D529 PolarHBondContact OG1-N 3.42Å; T527-D529 VanDerWaalsContact OG1-N 3.12Å; T527-D529 PolarHBondContact OG1-O 2.98Å; T527-D529 VanDerWaalsContact OG1-O 3.08Å; T527-K532 HydrophobicContact CG2-CB 4.29Å; T527-K532 WeakPolarHBondContact CG2-O 3.25Å; T527-K532 PolarHBondContact OG1-O 3.47Å
528	G	97.8	Very high	96.4	Very high	5 Å²	5	27.9 Å²	27.9	5%	0.052	16%	0.156	C	C	.	.	S	Bend	trans	82.2	-1.2	-168.3	0	0	0	0	0	114.2	R269 D360 Y462 F524	R269-G528 VanDerWaalsContact NE-N 3.12Å; D360-G528 VanDerWaalsContact OD2-CA 3.3Å; D360-G528 WeakPolarHBondContact OD2-CA 3.44Å; Y462-G528 VanDerWaalsContact CE2-O 3.32Å; Y462-G528 WeakPolarHBondContact CE2-O 3.36Å; F524-G528 WeakPolarHBondContact CD2-O 3.36Å; F524-G528 WeakPolarHBondContact CE2-O 3.49Å; F524-G528 WeakPolarHBondContact O-CA 3.45Å; F524-G528 PolarHBondContact O-N 2.66Å
529	D	98.3	Very high	95.8	Very high	26 Å²	26	32.2 Å²	32.2	14%	0.139	18%	0.175	C	C	.	.			trans	-124.4	114.1	177.3	-175.1	-6.2	0	0	0	108.8	Y462 N523 T527 N531 K532	Y462-D529 PolarHBondContact OH-OD1 3.44Å; N523-D529 CarbonylContact C-O 3.49Å; T527-D529 VanDerWaalsContact C-N 3.26Å; T527-D529 PolarHBondContact OG1-N 3.42Å; T527-D529 VanDerWaalsContact OG1-N 3.12Å; T527-D529 PolarHBondContact OG1-O 2.98Å; T527-D529 VanDerWaalsContact OG1-O 3.08Å; D529-N531 PolarHBondContact O-N 2.91Å; D529-N531 WeakPolarHBondContact OD1-CB 3.28Å; D529-N531 PolarHBondContact OD1-N 2.94Å; D529-N531 PolarHBondContact OD1-ND2 2.99Å; D529-K532 HydrophobicContact CB-CB 4.41Å; D529-K532 HydrophobicContact CB-CD 4.47Å; D529-K532 PolarHBondContact O-N 3.1Å; D529-K532 WeakPolarHBondContact OD2-CE 3.36Å; D529-K532 IonicContact OD2-NZ 3.93Å; D529-K532 PolarHBondContact OD2-NZ 3.45Å
530	P	98.3	Very high	95	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-15.3	-178	28.2	-34.3	0	0	0	112.6	M362 Y462 Y520 N523 F524 K532 W553	M362-P530 HydrophobicContact CE-CB 3.71Å; M362-P530 HydrophobicContact CE-CG 4.25Å; Y462-P530 HydrophobicContact CD1-CG 3.56Å; Y462-P530 HydrophobicContact CD2-CG 4.46Å; Y462-P530 HydrophobicContact CE1-CG 3.66Å; Y462-P530 HydrophobicContact CG-CG 3.97Å; Y520-P530 HydrophobicContact CD1-CB 3.92Å; Y520-P530 WeakPolarHBondContact CD1-O 3.2Å; Y520-P530 HydrophobicContact CG-CB 4.48Å; N523-P530 WeakPolarHBondContact CB-O 3.42Å; N523-P530 PolarHBondContact ND2-O 3.11Å; F524-P530 HydrophobicContact CB-CB 4.3Å; P530-K532 VanDerWaalsContact C-N 3.35Å; P530-W553 HydrophobicContact CB-CD2 4.37Å; P530-W553 HydrophobicContact CB-CE3 3.74Å; P530-W553 HydrophobicContact CB-CZ3 4.2Å; P530-W553 HydrophobicContact CG-CB 4.12Å; P530-W553 HydrophobicContact CG-CD2 3.88Å; P530-W553 HydrophobicContact CG-CE3 3.78Å; P530-W553 HydrophobicContact CG-CG 4.07Å; P530-W553 HydrophobicContact CG-CZ3 4.48Å
531	N	97.8	Very high	94.2	Very high	46 Å²	46	42.2 Å²	42.2	25%	0.246	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-2.5	177.3	-51.5	-80.3	0	0	0	113.9	D529 W553	D529-N531 PolarHBondContact O-N 2.91Å; D529-N531 WeakPolarHBondContact OD1-CB 3.28Å; D529-N531 PolarHBondContact OD1-N 2.94Å; D529-N531 PolarHBondContact OD1-ND2 2.99Å; N531-W553 PolarHBondContact ND2-O 3.42Å; N531-W553 PolarHBondContact OD1-N 3.32Å
532	K	95.3	Very high	93.5	Very high	116 Å²	116	42.3 Å²	42.3	50%	0.504	22%	0.22	S	C	.	.	S	Bend	trans	-140.3	143.9	-170.8	-63.8	-178.7	-173.4	122.8	0	113.9	N523 T527 D529 P530	N523-K532 CarbonylContact C-O 3.54Å; N523-K532 VanDerWaalsContact C-O 3.32Å; N523-K532 WeakPolarHBondContact CA-O 3.25Å; N523-K532 WeakPolarHBondContact CB-O 3.45Å; N523-K532 VanDerWaalsContact CG-O 3.24Å; N523-K532 PolarHBondContact ND2-N 3.08Å; N523-K532 VanDerWaalsContact OD1-C 3.28Å; N523-K532 PolarHBondContact OD1-O 3.17Å; T527-K532 HydrophobicContact CG2-CB 4.29Å; T527-K532 WeakPolarHBondContact CG2-O 3.25Å; T527-K532 PolarHBondContact OG1-O 3.47Å; D529-K532 HydrophobicContact CB-CB 4.41Å; D529-K532 HydrophobicContact CB-CD 4.47Å; D529-K532 PolarHBondContact O-N 3.1Å; D529-K532 WeakPolarHBondContact OD2-CE 3.36Å; D529-K532 IonicContact OD2-NZ 3.93Å; D529-K532 PolarHBondContact OD2-NZ 3.45Å; P530-K532 VanDerWaalsContact C-N 3.35Å
533	P	94.9	Very high	92.9	Very high	74 Å²	74	45.5 Å²	45.5	48%	0.481	24%	0.239	S	C	.	.	S	Bend	cis	-94.3	-5.9	6.2	37.2	-35.7	0	0	0	114.2	N523 K526 P535	N523-P533 VanDerWaalsContact OD1-CD 3.32Å; N523-P533 WeakPolarHBondContact OD1-CD 3.4Å; K526-P533 HydrophobicContact CD-CG 4.1Å; P533-P535 WeakPolarHBondContact O-CD 3.21Å
534	V	93.9	Very high	92.5	Very high	21 Å²	21	50.7 Å²	50.7	13%	0.127	26%	0.262	C	S	.	.	S	Bend	trans	-94.4	115.2	-174.6	-173	0	0	0	0	110	T519 N523	T519-V534 HydrophobicContact CG2-CB 4.2Å; T519-V534 HydrophobicContact CG2-CG1 4.2Å; N523-V534 PolarHBondContact ND2-O 3.23Å; N523-V534 WeakPolarHBondContact OD1-CB 3.44Å; N523-V534 PolarHBondContact OD1-N 3.11Å
535	P	93.9	Very high	92	Very high	59 Å²	59	53.9 Å²	53.9	38%	0.383	29%	0.288	S	S	.	.			trans	-68.6	158	172.5	30.1	-35.6	0	0	0	111.6	P533 D537	P533-P535 WeakPolarHBondContact O-CD 3.21Å; P535-D537 WeakPolarHBondContact CG-OD2 3.49Å; P535-D537 PolarHBondContact O-N 3.31Å
536	Q	93	Very high	91.8	Very high	16 Å²	16	54.1 Å²	54.1	8%	0.075	29%	0.289	C	S	.	.			trans	-77.3	50.2	-178.5	-72.9	-72	-3.6	0	0	112.9	V516 Y520 N546 F548 E549	V516-Q536 PolarHBondContact O-NE2 3.2Å; Y520-Q536 VanDerWaalsContact CD2-NE2 3.34Å; Y520-Q536 HydrophobicContact CE1-CG 4.07Å; Y520-Q536 VanDerWaalsContact CZ-NE2 3.3Å; Q536-N546 PolarHBondContact O-ND2 3.08Å; Q536-N546 PolarHBondContact OE1-ND2 3.42Å; Q536-F548 HydrophobicContact CB-CB 4.26Å; Q536-F548 HydrophobicContact CG-CB 4.26Å; Q536-E549 WeakPolarHBondContact O-CA 3.48Å; Q536-E549 WeakPolarHBondContact O-CG 3.36Å
537	D	89.6	Confident	91.6	Very high	72 Å²	72	58.7 Å²	58.7	39%	0.385	31%	0.306	S	S	.	.			trans	-73.7	144.7	-177.3	-54.3	-30	0	0	0	113	P535 K539 H542	P535-D537 WeakPolarHBondContact CG-OD2 3.49Å; P535-D537 PolarHBondContact O-N 3.31Å; D537-K539 PolarHBondContact O-N 2.86Å; D537-H542 PolarHBondContact O-CE1 3Å
538	T	88.3	Confident	91.5	Very high	63 Å²	63	55.9 Å²	55.9	39%	0.387	29%	0.289	S	S	.	.			trans	-64.1	116.1	163	-62.8	0	0	0	0	111.6	A545 N546 E549	T538-A545 WeakPolarHBondContact OG1-CA 3.33Å; T538-N546 PolarHBondContact OG1-N 2.83Å; T538-E549 WeakPolarHBondContact CB-OE1 3.44Å; T538-E549 PolarHBondContact N-OE1 3.45Å; T538-E549 PolarHBondContact OG1-OE1 3.46Å
539	K	86.4	Confident	91.2	Very high	91 Å²	91	60.8 Å²	60.8	40%	0.396	31%	0.31	S	S	.	.			trans	-124.5	159.1	171.9	-58.6	172.5	-171.8	166.8	0	110.7	D537 I541 H542	D537-K539 PolarHBondContact O-N 2.86Å; K539-I541 HydrophobicContact CB-CG2 4.11Å; K539-I541 PolarHBondContact O-N 2.9Å; K539-H542 PolarHBondContact N-ND1 2.69Å; K539-H542 WeakPolarHBondContact O-CB 3.43Å; K539-H542 PolarHBondContact O-N 2.97Å; K539-H542 PolarHBondContact O-ND1 2.69Å
540	F	79.9	Confident	90.8	Very high	196 Å²	196	68.9 Å²	68.9	86%	0.86	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-48.5	-38.8	-179.2	-69.7	-69.7	0	0	0	114.6	I62 H542 T543	I62-F540 HydrophobicContact CD1-CB 4.32Å; F540-H542 PolarHBondContact O-N 3.07Å; F540-H542 VanDerWaalsContact O-N 3.08Å; F540-T543 PolarHBondContact O-N 2.79Å
541	I	82.8	Confident	90.6	Very high	19 Å²	19	70 Å²	70	10%	0.097	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-54.5	-25.7	177.5	-167.3	62.7	0	0	0	114.3	I62 L63 Y187 M495 V511 K539	I62-I541 HydrophobicContact CB-CD1 4.05Å; I62-I541 HydrophobicContact CD1-CB 4.44Å; I62-I541 HydrophobicContact CD1-CD1 4.16Å; I62-I541 HydrophobicContact CG2-CB 4.26Å; I62-I541 HydrophobicContact CG2-CD1 3.99Å; L63-I541 HydrophobicContact CD2-CD1 4.23Å; L63-I541 HydrophobicContact CG-CD1 4.32Å; Y187-I541 HydrophobicContact CD2-CG1 4.08Å; Y187-I541 HydrophobicContact CE2-CG1 3.93Å; Y187-I541 HydrophobicContact CE2-CG2 3.92Å; M495-I541 HydrophobicContact CE-CG1 3.95Å; M495-I541 HydrophobicContact SD-CD1 3.98Å; M495-I541 HydrophobicContact SD-CG1 4Å; V511-I541 WeakPolarHBondContact CG1-O 3.44Å; K539-I541 HydrophobicContact CB-CG2 4.11Å; K539-I541 PolarHBondContact O-N 2.9Å
542	H	84.7	Confident	90.4	Very high	3 Å²	3	70.9 Å²	70.9	1%	0.014	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-76.6	-21.5	-179.8	-58.3	81.9	0	0	0	112.8	M512 A515 D537 K539 F540 K544	M512-H542 HydrophobicContact CB-CB 4.31Å; M512-H542 HydrophobicContact CG-CB 4.25Å; M512-H542 PolarHBondContact N-O 3.49Å; A515-H542 WeakPolarHBondContact CB-CD2 3.28Å; D537-H542 PolarHBondContact O-CE1 3Å; K539-H542 PolarHBondContact N-ND1 2.69Å; K539-H542 WeakPolarHBondContact O-CB 3.43Å; K539-H542 PolarHBondContact O-N 2.97Å; K539-H542 PolarHBondContact O-ND1 2.69Å; F540-H542 PolarHBondContact O-N 3.07Å; F540-H542 VanDerWaalsContact O-N 3.08Å; H542-K544 VanDerWaalsContact CB-O 3.26Å; H542-K544 WeakPolarHBondContact CB-O 3.16Å; H542-K544 PolarHBondContact O-N 2.89Å
543	T	86.3	Confident	90.6	Very high	70 Å²	70	65.5 Å²	65.5	43%	0.429	34%	0.344	S	S	.	.	S	Bend	trans	58.5	-7.6	-173.5	78.3	0	0	0	0	117	K508 V511 F540	K508-T543 WeakPolarHBondContact CB-OG1 3.2Å; K508-T543 PolarHBondContact O-OG1 3.49Å; V511-T543 HydrophobicContact CB-CG2 4.48Å; V511-T543 HydrophobicContact CG1-CG2 3.92Å; F540-T543 PolarHBondContact O-N 2.79Å
544	K	89	Confident	90.7	Very high	110 Å²	110	64.2 Å²	64.2	48%	0.478	34%	0.337	S	S	.	.	S	Bend	trans	-143.9	161.7	176.2	-81.6	-71.6	-172.3	176.2	0	109	K508 M512 H542 N546	K508-K544 HydrophobicContact CB-CG 3.78Å; M512-K544 HydrophobicContact CB-CB 4.18Å; M512-K544 HydrophobicContact CG-CB 4.39Å; H542-K544 VanDerWaalsContact CB-O 3.26Å; H542-K544 WeakPolarHBondContact CB-O 3.16Å; H542-K544 PolarHBondContact O-N 2.89Å; K544-N546 PolarHBondContact O-N 2.91Å
545	A	89.1	Confident	90.9	Very high	66 Å²	66	68.5 Å²	68.5	55%	0.545	35%	0.354	S	S	.	.			trans	-59.2	133.3	170.8	0	0	0	0	0	110.8	T538 R547	T538-A545 WeakPolarHBondContact OG1-CA 3.33Å; A545-R547 PolarHBondContact O-N 2.81Å
546	N	93.4	Very high	91.1	Very high	6 Å²	6	66.2 Å²	66.2	3%	0.032	34%	0.337	C	S	.	.			trans	-71.1	119.7	177.2	-173.6	-19	0	0	0	109	V516 Q536 T538 K544 F548 E549	V516-N546 WeakPolarHBondContact CG2-ND2 3.45Å; V516-N546 WeakPolarHBondContact CG2-OD1 3.35Å; Q536-N546 PolarHBondContact O-ND2 3.08Å; Q536-N546 PolarHBondContact OE1-ND2 3.42Å; T538-N546 PolarHBondContact OG1-N 2.83Å; K544-N546 PolarHBondContact O-N 2.91Å; N546-F548 PolarHBondContact O-N 3.5Å; N546-F548 WeakPolarHBondContact OD1-CB 3.06Å; N546-F548 PolarHBondContact OD1-N 3.32Å; N546-E549 HydrophobicContact CB-CG 4.21Å
547	R	93.8	Very high	91.3	Very high	114 Å²	114	67.7 Å²	67.7	43%	0.43	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-3.5	-177.8	-57.2	-173.3	-167.8	-161.1	4	113.3	N509 M512 A545 L568 P570	N509-R547 PolarHBondContact OD1-NH2 3.29Å; M512-R547 HydrophobicContact CE-CG 4Å; M512-R547 HydrophobicContact SD-CG 4.49Å; A545-R547 PolarHBondContact O-N 2.81Å; R547-L568 WeakPolarHBondContact CD-O 3.42Å; R547-L568 PolarHBondContact NH1-O 3.37Å; R547-P570 HydrophobicContact CB-CG 3.86Å; R547-P570 WeakPolarHBondContact O-CG 3.38Å
548	F	95.4	Very high	91.6	Very high	1 Å²	1	66.8 Å²	66.8	0%	0.004	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	6.1	-175.7	-63.1	-113.7	0	0	0	112.8	L513 V516 Y520 Q536 N546 E550 V551 L564 I566 P570	L513-F548 HydrophobicContact CD1-CE2 3.77Å; L513-F548 HydrophobicContact CD1-CZ 3.7Å; V516-F548 HydrophobicContact CB-CD2 4.16Å; V516-F548 HydrophobicContact CB-CE2 4.28Å; V516-F548 HydrophobicContact CG1-CB 4.15Å; V516-F548 HydrophobicContact CG1-CD1 3.74Å; V516-F548 HydrophobicContact CG1-CD2 3.57Å; V516-F548 HydrophobicContact CG1-CE1 3.83Å; V516-F548 HydrophobicContact CG1-CE2 3.71Å; V516-F548 HydrophobicContact CG1-CG 3.58Å; V516-F548 HydrophobicContact CG1-CZ 3.8Å; V516-F548 HydrophobicContact CG2-CB 4.39Å; V516-F548 HydrophobicContact CG2-CD2 3.65Å; V516-F548 HydrophobicContact CG2-CE2 4.11Å; V516-F548 HydrophobicContact CG2-CG 4.2Å; Y520-F548 AromaticContact CE2-CD1 3.78Å; Y520-F548 HydrophobicContact CE2-CD1 3.78Å; Y520-F548 HydrophobicContact CE2-CE1 4.15Å; Y520-F548 HydrophobicContact CE2-CG 4.48Å; Q536-F548 HydrophobicContact CB-CB 4.26Å; Q536-F548 HydrophobicContact CG-CB 4.26Å; N546-F548 PolarHBondContact O-N 3.5Å; N546-F548 WeakPolarHBondContact OD1-CB 3.06Å; N546-F548 PolarHBondContact OD1-N 3.32Å; F548-E550 PolarHBondContact O-N 3.04Å; F548-E550 VanDerWaalsContact O-N 3.16Å; F548-V551 HydrophobicContact CB-CB 4.27Å; F548-V551 HydrophobicContact CD1-CB 4.42Å; F548-V551 HydrophobicContact CD1-CG1 4.43Å; F548-V551 PolarHBondContact O-N 3.43Å; F548-L564 HydrophobicContact CE1-CD2 4.48Å; F548-I566 HydrophobicContact CZ-CG2 4.29Å; F548-P570 HydrophobicContact CD1-CB 3.44Å; F548-P570 VanDerWaalsContact CD1-CB 3.44Å; F548-P570 HydrophobicContact CD1-CG 4Å; F548-P570 HydrophobicContact CD2-CB 3.98Å; F548-P570 HydrophobicContact CD2-CG 3.73Å; F548-P570 HydrophobicContact CE1-CB 3.26Å; F548-P570 HydrophobicContact CE1-CG 4.11Å; F548-P570 HydrophobicContact CE2-CB 3.78Å; F548-P570 HydrophobicContact CE2-CG 3.8Å; F548-P570 HydrophobicContact CG-CB 3.84Å; F548-P570 HydrophobicContact CG-CG 3.85Å; F548-P570 HydrophobicContact CZ-CB 3.45Å; F548-P570 VanDerWaalsContact CZ-CB 3.45Å; F548-P570 HydrophobicContact CZ-CG 4.03Å
549	E	91.3	Very high	91.9	Very high	108 Å²	108	73.5 Å²	73.5	51%	0.505	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-41.5	179.2	-81	176.7	179	0	0	113.3	Q536 T538 N546	Q536-E549 WeakPolarHBondContact O-CA 3.48Å; Q536-E549 WeakPolarHBondContact O-CG 3.36Å; T538-E549 WeakPolarHBondContact CB-OE1 3.44Å; T538-E549 PolarHBondContact N-OE1 3.45Å; T538-E549 PolarHBondContact OG1-OE1 3.46Å; N546-E549 HydrophobicContact CB-CG 4.21Å
550	E	89.3	Confident	92.4	Very high	196 Å²	196	72.6 Å²	72.6	92%	0.916	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	6.8	179.5	-59	-174.6	158.8	0	0	113.5	F548	F548-E550 PolarHBondContact O-N 3.04Å; F548-E550 VanDerWaalsContact O-N 3.16Å
551	V	93.8	Very high	93.3	Very high	24 Å²	24	64.5 Å²	64.5	15%	0.145	33%	0.327	C	S	.	.			trans	-103	95.3	-173.2	-175.5	0	0	0	0	110.5	Y520 F548 L564 P570	Y520-V551 PolarHBondContact OH-O 3.14Å; F548-V551 HydrophobicContact CB-CB 4.27Å; F548-V551 HydrophobicContact CD1-CB 4.42Å; F548-V551 HydrophobicContact CD1-CG1 4.43Å; F548-V551 PolarHBondContact O-N 3.43Å; V551-L564 HydrophobicContact CG1-CD1 3.56Å; V551-P570 HydrophobicContact CG2-CB 4.31Å; V551-P570 HydrophobicContact CG2-CG 4.22Å
552	A	95.2	Very high	94	Very high	63 Å²	63	65.9 Å²	65.9	52%	0.521	33%	0.334	S	S	.	.			trans	-80.7	124.3	170.5	0	0	0	0	0	111.2	S554 V572	A552-S554 PolarHBondContact O-N 3.44Å; A552-S554 VanDerWaalsContact O-N 3.16Å; A552-V572 VanDerWaalsContact O-CG2 3.23Å; A552-V572 WeakPolarHBondContact O-CG2 3.49Å
553	W	98	Very high	94.7	Very high	3 Å²	3	66.7 Å²	66.7	1%	0.011	34%	0.337	C	S	.	.			trans	-73.9	105.2	174.8	-167.9	-14	0	0	0	109.5	M362 Y462 F463 Y464 Y520 W521 P530 N531 L564	M362-W553 HydrophobicContact CE-CE3 4.39Å; M362-W553 HydrophobicContact CE-CH2 3.67Å; M362-W553 HydrophobicContact CE-CZ2 4.48Å; M362-W553 HydrophobicContact CE-CZ3 3.62Å; M362-W553 HydrophobicContact CG-CH2 3.68Å; M362-W553 HydrophobicContact CG-CZ2 4.04Å; M362-W553 HydrophobicContact SD-CH2 3.48Å; M362-W553 WeakPolarHBondContact SD-CH2 3.47Å; M362-W553 HydrophobicContact SD-CZ2 4.4Å; M362-W553 HydrophobicContact SD-CZ3 3.92Å; Y462-W553 AromaticContact CD1-CD1 3.91Å; Y462-W553 HydrophobicContact CD1-CG 4.17Å; F463-W553 PolarHBondContact O-NE1 3.24Å; Y464-W553 AromaticContact CD1-CH2 3.91Å; Y464-W553 HydrophobicContact CD1-CH2 3.91Å; Y464-W553 HydrophobicContact CD1-CZ2 4.14Å; Y464-W553 HydrophobicContact CG-CH2 4.27Å; Y464-W553 HydrophobicContact CG-CZ2 4.38Å; Y520-W553 AromaticContact CD1-CE3 3.87Å; Y520-W553 HydrophobicContact CD1-CE3 3.87Å; Y520-W553 HydrophobicContact CD2-CE3 4.28Å; Y520-W553 HydrophobicContact CD2-CZ3 4.45Å; Y520-W553 HydrophobicContact CE1-CB 4.3Å; Y520-W553 HydrophobicContact CE1-CE3 4.31Å; Y520-W553 AromaticContact CG-CE3 3.86Å; Y520-W553 HydrophobicContact CG-CE3 3.86Å; Y520-W553 HydrophobicContact CG-CZ3 4.09Å; W521-W553 HydrophobicContact CZ3-CH2 4.22Å; W521-W553 HydrophobicContact CZ3-CZ3 4.06Å; P530-W553 HydrophobicContact CB-CD2 4.37Å; P530-W553 HydrophobicContact CB-CE3 3.74Å; P530-W553 HydrophobicContact CB-CZ3 4.2Å; P530-W553 HydrophobicContact CG-CB 4.12Å; P530-W553 HydrophobicContact CG-CD2 3.88Å; P530-W553 HydrophobicContact CG-CE3 3.78Å; P530-W553 HydrophobicContact CG-CG 4.07Å; P530-W553 HydrophobicContact CG-CZ3 4.48Å; N531-W553 PolarHBondContact ND2-O 3.42Å; N531-W553 PolarHBondContact OD1-N 3.32Å; W553-L564 HydrophobicContact CB-CD2 4.21Å; W553-L564 HydrophobicContact CD2-CB 3.83Å; W553-L564 HydrophobicContact CD2-CD2 3.62Å; W553-L564 HydrophobicContact CD2-CG 4.37Å; W553-L564 HydrophobicContact CE3-CD2 3.52Å; W553-L564 HydrophobicContact CG-CB 3.83Å; W553-L564 HydrophobicContact CG-CD2 3.93Å; W553-L564 HydrophobicContact CG-CG 4.44Å; W553-L564 HydrophobicContact CZ2-CB 4.45Å; W553-L564 HydrophobicContact CZ3-CD2 4.12Å
554	S	97.9	Very high	95.3	Very high	47 Å²	47	63.3 Å²	63.3	33%	0.329	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-72.7	149.9	178.5	-62.8	0	0	0	0	111.9	A552	A552-S554 PolarHBondContact O-N 3.44Å; A552-S554 VanDerWaalsContact O-N 3.16Å
555	K	98	Very high	95.7	Very high	111 Å²	111	58.8 Å²	58.8	48%	0.483	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-63.8	139.3	173	-72.2	-171.6	174.2	-164.7	0	110.8	Y462	Y462-K555 HydrophobicContact CD1-CG 4.45Å; Y462-K555 HydrophobicContact CE1-CG 3.71Å; Y462-K555 HydrophobicContact CE2-CG 4.14Å; Y462-K555 VanDerWaalsContact OH-CE 3.25Å; Y462-K555 WeakPolarHBondContact OH-CE 3.35Å
556	Y	98.5	Very high	96.2	Very high	11 Å²	11	55.7 Å²	55.7	4%	0.043	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-73.8	143.3	168.9	-176.5	-88	0	0	0	110	A451 D452 A455 T461 F463 Q561 L562	A451-Y556 HydrophobicContact CB-CD1 3.9Å; A451-Y556 HydrophobicContact CB-CE1 3.59Å; A451-Y556 HydrophobicContact CB-CE2 4.45Å; A451-Y556 HydrophobicContact CB-CG 4.47Å; D452-Y556 PolarHBondContact OD1-OH 3.26Å; A455-Y556 HydrophobicContact CB-CD1 3.93Å; A455-Y556 HydrophobicContact CB-CE1 4.4Å; T461-Y556 HydrophobicContact CG2-CD1 4.02Å; T461-Y556 HydrophobicContact CG2-CG 4.29Å; T461-Y556 PolarHBondContact O-N 2.88Å; F463-Y556 HydrophobicContact CB-CD2 3.54Å; F463-Y556 HydrophobicContact CB-CE2 4.24Å; F463-Y556 HydrophobicContact CB-CG 4.07Å; F463-Y556 HydrophobicContact CG-CD2 4.2Å; F463-Y556 HydrophobicContact CG-CE2 4.44Å; Y556-Q561 HydrophobicContact CE2-CB 3.82Å; Y556-Q561 HydrophobicContact CE2-CG 4.13Å; Y556-Q561 WeakPolarHBondContact OH-CG 3.25Å; Y556-Q561 PolarHBondContact OH-NE2 2.65Å; Y556-L562 WeakPolarHBondContact CD2-O 3.43Å
557	N	96.9	Very high	96.3	Very high	47 Å²	47	55.4 Å²	55.4	25%	0.251	27%	0.269	S	S	.	.			trans	-149.7	157.4	166.8	74.1	72.5	0	0	0	109.6	R559 D560 Q561	N557-R559 PolarHBondContact O-N 3.03Å; N557-R559 VanDerWaalsContact O-N 3.07Å; N557-R559 WeakPolarHBondContact OD1-CA 3.3Å; N557-R559 VanDerWaalsContact OD1-CB 3.31Å; N557-R559 WeakPolarHBondContact OD1-CB 3.44Å; N557-R559 PolarHBondContact OD1-N 2.89Å; N557-D560 PolarHBondContact ND2-OD2 2.89Å; N557-D560 PolarHBondContact OD1-N 3.31Å; N557-D560 PolarHBondContact OD1-OD2 3.39Å; N557-Q561 VanDerWaalsContact O-CA 3.28Å; N557-Q561 WeakPolarHBondContact O-CA 3.26Å; N557-Q561 PolarHBondContact O-N 3.17Å
558	P	95.5	Very high	96.4	Very high	53 Å²	53	52.2 Å²	52.2	34%	0.344	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-7.7	-172.5	-19.4	33.7	0	0	0	115.1	D452 A455 R456	D452-P558 WeakPolarHBondContact O-CG 3.4Å; A455-P558 HydrophobicContact CB-CG 4.17Å; R456-P558 HydrophobicContact CB-CG 4.48Å
559	R	95.3	Very high	96.4	Very high	205 Å²	205	59.4 Å²	59.4	77%	0.774	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-45.2	-179.9	178.5	-170.4	179.7	-176.4	0.3	112.5	N557	N557-R559 PolarHBondContact O-N 3.03Å; N557-R559 VanDerWaalsContact O-N 3.07Å; N557-R559 WeakPolarHBondContact OD1-CA 3.3Å; N557-R559 VanDerWaalsContact OD1-CB 3.31Å; N557-R559 WeakPolarHBondContact OD1-CB 3.44Å; N557-R559 PolarHBondContact OD1-N 2.89Å
560	D	97.2	Very high	96.5	Very high	71 Å²	71	55.2 Å²	55.2	38%	0.38	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-18.9	-176.4	-49.8	-46.8	0	0	0	112	N557 L562 D574	N557-D560 PolarHBondContact ND2-OD2 2.89Å; N557-D560 PolarHBondContact OD1-N 3.31Å; N557-D560 PolarHBondContact OD1-OD2 3.39Å; D560-L562 HydrophobicContact CB-CD1 4.46Å; D560-L562 HydrophobicContact CB-CD2 4.3Å; D560-L562 HydrophobicContact CB-CG 3.91Å; D560-L562 PolarHBondContact O-N 2.94Å; D560-D574 WeakPolarHBondContact O-CB 3.37Å
561	Q	97.8	Very high	96.8	Very high	27 Å²	27	49.8 Å²	49.8	13%	0.126	25%	0.245	C	C	.	.			trans	43.6	40.9	178.5	-62.1	-165.4	-32.1	0	0	114.2	D452 Y556 N557 D574 H575	D452-Q561 PolarHBondContact OD1-NE2 3.07Å; D452-Q561 VanDerWaalsContact OD1-NE2 3.09Å; Y556-Q561 HydrophobicContact CE2-CB 3.82Å; Y556-Q561 HydrophobicContact CE2-CG 4.13Å; Y556-Q561 WeakPolarHBondContact OH-CG 3.25Å; Y556-Q561 PolarHBondContact OH-NE2 2.65Å; N557-Q561 VanDerWaalsContact O-CA 3.28Å; N557-Q561 WeakPolarHBondContact O-CA 3.26Å; N557-Q561 PolarHBondContact O-N 3.17Å; Q561-D574 WeakPolarHBondContact O-CA 3.33Å; Q561-H575 PolarHBondContact O-N 3.39Å; Q561-H575 VanDerWaalsContact O-N 3.15Å; Q561-H575 PolarHBondContact OE1-CD2 3.36Å; Q561-H575 VanDerWaalsContact OE1-CD2 3.29Å
562	L	98.6	Very high	97	Very high	47 Å²	47	50.6 Å²	50.6	25%	0.246	25%	0.25	C	S	.	.			trans	-68.7	131.3	-177	-60.4	-178.1	0	0	0	111.7	Y556 D560 V572 R573 D574	Y556-L562 WeakPolarHBondContact CD2-O 3.43Å; D560-L562 HydrophobicContact CB-CD1 4.46Å; D560-L562 HydrophobicContact CB-CD2 4.3Å; D560-L562 HydrophobicContact CB-CG 3.91Å; D560-L562 PolarHBondContact O-N 2.94Å; L562-V572 HydrophobicContact CB-CG1 4.21Å; L562-V572 HydrophobicContact CD2-CG1 4.28Å; L562-R573 CarbonylContact C-O 3.46Å; L562-R573 WeakPolarHBondContact CA-O 3.34Å; L562-D574 HydrophobicContact CD2-CB 3.95Å
563	Y	98.7	Very high	97.1	Very high	20 Å²	20	52.9 Å²	52.9	8%	0.078	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	155.1	176.6	75.6	-80.9	0	0	0	112.6	F463 A465 H565 V572 R573 Y576	F463-Y563 HydrophobicContact CD1-CG 4.43Å; F463-Y563 VanDerWaalsContact O-CA 3.26Å; F463-Y563 WeakPolarHBondContact O-CA 3.35Å; F463-Y563 WeakPolarHBondContact O-CB 3.22Å; A465-Y563 HydrophobicContact CB-CD2 3.84Å; A465-Y563 HydrophobicContact CB-CE2 3.73Å; Y563-H565 HydrophobicContact CE2-CB 4.21Å; Y563-V572 WeakPolarHBondContact O-CA 3.28Å; Y563-R573 HydrophobicContact CD1-CB 3.99Å; Y563-R573 WeakPolarHBondContact CD1-O 3.41Å; Y563-R573 HydrophobicContact CE1-CB 3.28Å; Y563-R573 HydrophobicContact CE2-CB 4.13Å; Y563-R573 PolarHBondContact N-O 3.08Å; Y563-R573 PolarHBondContact O-N 3.46Å; Y563-R573 WeakPolarHBondContact OH-CB 3.45Å; Y563-Y576 HydrophobicContact CD2-CD2 4.43Å; Y563-Y576 AromaticContact CE1-CD2 3.96Å; Y563-Y576 HydrophobicContact CE1-CD2 3.96Å; Y563-Y576 HydrophobicContact CE1-CG 4.29Å; Y563-Y576 AromaticContact CE2-CD2 3.72Å; Y563-Y576 HydrophobicContact CE2-CD2 3.72Å; Y563-Y576 HydrophobicContact CE2-CE2 4.29Å; Y563-Y576 HydrophobicContact CE2-CG 4.36Å; Y563-Y576 AromaticContact CZ-CD2 3.45Å; Y563-Y576 VanDerWaalsContact CZ-CD2 3.45Å; Y563-Y576 WeakPolarHBondContact OH-CD2 3.45Å
564	L	98.8	Very high	97.1	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	118.6	171.7	-179	62.4	0	0	0	110.4	F463 Y464 A465 Y520 F548 V551 W553 I566	F463-L564 PolarHBondContact O-N 3.33Å; Y464-L564 WeakPolarHBondContact CA-O 3.43Å; A465-L564 PolarHBondContact N-O 3.46Å; Y520-L564 HydrophobicContact CD2-CD2 4.22Å; Y520-L564 HydrophobicContact CE2-CD2 3.72Å; F548-L564 HydrophobicContact CE1-CD2 4.48Å; V551-L564 HydrophobicContact CG1-CD1 3.56Å; W553-L564 HydrophobicContact CB-CD2 4.21Å; W553-L564 HydrophobicContact CD2-CB 3.83Å; W553-L564 HydrophobicContact CD2-CD2 3.62Å; W553-L564 HydrophobicContact CD2-CG 4.37Å; W553-L564 HydrophobicContact CE3-CD2 3.52Å; W553-L564 HydrophobicContact CG-CB 3.83Å; W553-L564 HydrophobicContact CG-CD2 3.93Å; W553-L564 HydrophobicContact CG-CG 4.44Å; W553-L564 HydrophobicContact CZ2-CB 4.45Å; W553-L564 HydrophobicContact CZ3-CD2 4.12Å; L564-I566 HydrophobicContact CB-CG1 4.47Å; L564-I566 HydrophobicContact CD2-CD1 4.22Å; L564-I566 HydrophobicContact CD2-CG1 3.76Å; L564-I566 HydrophobicContact CG-CG1 3.78Å; L564-I566 PolarHBondContact O-N 3.32Å
565	H	98.3	Very high	97.1	Very high	15 Å²	15	58.4 Å²	58.4	7%	0.069	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	102.3	166.4	171.1	-56.4	0	0	0	108.7	Y467 Y563 P570 R571	Y467-H565 AromaticContact CD1-NE2 3.67Å; Y467-H565 AromaticContact CG-CD2 3.9Å; Y467-H565 AromaticContact CG-CE1 3.92Å; Y467-H565 AromaticContact CG-NE2 3.6Å; Y563-H565 HydrophobicContact CE2-CB 4.21Å; H565-P570 WeakPolarHBondContact O-CA 3.33Å; H565-R571 HydrophobicContact CB-CG 4.18Å; H565-R571 WeakPolarHBondContact CB-O 3.44Å; H565-R571 PolarHBondContact CD2-NH1 3.42Å; H565-R571 PolarHBondContact CD2-NH2 3Å; H565-R571 VanDerWaalsContact CD2-NH2 3.29Å; H565-R571 PolarHBondContact CE1-NH1 3.34Å; H565-R571 PolarHBondContact N-O 2.85Å; H565-R571 PolarHBondContact NE2-NH1 3.24Å; H565-R571 PolarHBondContact NE2-NH2 3.46Å
566	I	98.4	Very high	97.1	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	119	179.8	-59.4	178.4	0	0	0	109.4	Y464 A465 F466 Y467 L513 V517 W521 F548 L564	Y464-I566 HydrophobicContact CD2-CD1 3.99Å; Y464-I566 HydrophobicContact CG-CD1 3.87Å; A465-I566 PolarHBondContact O-N 3.14Å; F466-I566 HydrophobicContact CD2-CB 3.82Å; F466-I566 HydrophobicContact CD2-CD1 4.38Å; F466-I566 HydrophobicContact CD2-CG2 3.55Å; F466-I566 HydrophobicContact CE2-CB 4.31Å; F466-I566 HydrophobicContact CE2-CG2 3.51Å; Y467-I566 PolarHBondContact N-O 2.69Å; L513-I566 HydrophobicContact CD1-CG2 3.9Å; V517-I566 HydrophobicContact CG2-CG2 4.12Å; W521-I566 HydrophobicContact CH2-CD1 4.07Å; W521-I566 HydrophobicContact CZ3-CD1 4Å; F548-I566 HydrophobicContact CZ-CG2 4.29Å; L564-I566 HydrophobicContact CB-CG1 4.47Å; L564-I566 HydrophobicContact CD2-CD1 4.22Å; L564-I566 HydrophobicContact CD2-CG1 3.76Å; L564-I566 HydrophobicContact CG-CG1 3.78Å; L564-I566 PolarHBondContact O-N 3.32Å
567	G	96.2	Very high	97	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	25%	0.251	C	S	.	.	S	Bend	trans	166.6	-168.2	176.5	0	0	0	0	0	111.6	K569 P570	G567-K569 PolarHBondContact O-N 2.89Å; G567-K569 VanDerWaalsContact O-N 3.1Å; G567-P570 WeakPolarHBondContact O-CD 3.43Å
568	L	95	Very high	97	Very high	48 Å²	48	53.6 Å²	53.6	25%	0.251	25%	0.251	S	S	.	.	S	Bend	trans	-71.4	-5.7	-172.9	-55.7	-171.8	0	0	0	115.6	H468 N509 M512 R547	H468-L568 WeakPolarHBondContact ND1-CG 3.4Å; N509-L568 HydrophobicContact CB-CD1 4.31Å; N509-L568 HydrophobicContact CB-CD2 3.8Å; M512-L568 HydrophobicContact CE-CD2 4.35Å; R547-L568 WeakPolarHBondContact CD-O 3.42Å; R547-L568 PolarHBondContact NH1-O 3.37Å
569	K	94.9	Very high	97	Very high	151 Å²	151	55.3 Å²	55.3	66%	0.657	26%	0.26	S	S	*	.	S	Bend	trans	-129.1	66.1	173	-67	179.9	-178.4	173.7	0	109.2	G567 R571	G567-K569 PolarHBondContact O-N 2.89Å; G567-K569 VanDerWaalsContact O-N 3.1Å; K569-R571 PolarHBondContact O-NH1 2.87Å
570	P	94.4	Very high	97.1	Very high	21 Å²	21	47 Å²	47	14%	0.136	23%	0.229	C	C	.	.			trans	-69.4	147.2	-169.9	32.4	-37.3	0	0	0	111.6	R547 F548 V551 H565 G567	R547-P570 HydrophobicContact CB-CG 3.86Å; R547-P570 WeakPolarHBondContact O-CG 3.38Å; F548-P570 HydrophobicContact CD1-CB 3.44Å; F548-P570 VanDerWaalsContact CD1-CB 3.44Å; F548-P570 HydrophobicContact CD1-CG 4Å; F548-P570 HydrophobicContact CD2-CB 3.98Å; F548-P570 HydrophobicContact CD2-CG 3.73Å; F548-P570 HydrophobicContact CE1-CB 3.26Å; F548-P570 HydrophobicContact CE1-CG 4.11Å; F548-P570 HydrophobicContact CE2-CB 3.78Å; F548-P570 HydrophobicContact CE2-CG 3.8Å; F548-P570 HydrophobicContact CG-CB 3.84Å; F548-P570 HydrophobicContact CG-CG 3.85Å; F548-P570 HydrophobicContact CZ-CB 3.45Å; F548-P570 VanDerWaalsContact CZ-CB 3.45Å; F548-P570 HydrophobicContact CZ-CG 4.03Å; V551-P570 HydrophobicContact CG2-CB 4.31Å; V551-P570 HydrophobicContact CG2-CG 4.22Å; H565-P570 WeakPolarHBondContact O-CA 3.33Å; G567-P570 WeakPolarHBondContact O-CD 3.43Å
571	R	95.9	Very high	97.1	Very high	82 Å²	82	44 Å²	44	31%	0.309	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.9	150.2	-177	53.3	-159	-167.4	-80.6	-3.7	109.8	H565 K569 R573	H565-R571 HydrophobicContact CB-CG 4.18Å; H565-R571 WeakPolarHBondContact CB-O 3.44Å; H565-R571 PolarHBondContact CD2-NH1 3.42Å; H565-R571 PolarHBondContact CD2-NH2 3Å; H565-R571 VanDerWaalsContact CD2-NH2 3.29Å; H565-R571 PolarHBondContact CE1-NH1 3.34Å; H565-R571 PolarHBondContact N-O 2.85Å; H565-R571 PolarHBondContact NE2-NH1 3.24Å; H565-R571 PolarHBondContact NE2-NH2 3.46Å; K569-R571 PolarHBondContact O-NH1 2.87Å; R571-R573 HydrophobicContact CG-CG 4.2Å
572	V	97.5	Very high	97	Very high	41 Å²	41	44.8 Å²	44.8	25%	0.248	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	141.9	161.7	-178.6	0	0	0	0	108.7	A552 L562 Y563	A552-V572 VanDerWaalsContact O-CG2 3.23Å; A552-V572 WeakPolarHBondContact O-CG2 3.49Å; L562-V572 HydrophobicContact CB-CG1 4.21Å; L562-V572 HydrophobicContact CD2-CG1 4.28Å; Y563-V572 WeakPolarHBondContact O-CA 3.28Å
573	R	97.5	Very high	97	Very high	111 Å²	111	42.9 Å²	42.9	42%	0.419	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	171.7	174.2	-79.3	-68.7	179.6	-90.4	13.4	108.6	L562 Y563 R571	L562-R573 CarbonylContact C-O 3.46Å; L562-R573 WeakPolarHBondContact CA-O 3.34Å; Y563-R573 HydrophobicContact CD1-CB 3.99Å; Y563-R573 WeakPolarHBondContact CD1-O 3.41Å; Y563-R573 HydrophobicContact CE1-CB 3.28Å; Y563-R573 HydrophobicContact CE2-CB 4.13Å; Y563-R573 PolarHBondContact N-O 3.08Å; Y563-R573 PolarHBondContact O-N 3.46Å; Y563-R573 WeakPolarHBondContact OH-CB 3.45Å; R571-R573 HydrophobicContact CG-CG 4.2Å
574	D	97.8	Very high	96.9	Very high	87 Å²	87	42.3 Å²	42.3	47%	0.465	21%	0.212	S	C	.	.			trans	-127.7	160.3	-175.5	61.1	-71.6	0	0	0	110.5	D560 Q561 L562 Y576	D560-D574 WeakPolarHBondContact O-CB 3.37Å; Q561-D574 WeakPolarHBondContact O-CA 3.33Å; L562-D574 HydrophobicContact CD2-CB 3.95Å; D574-Y576 PolarHBondContact O-N 2.95Å
575	H	98.1	Very high	96.6	Very high	78 Å²	78	44.7 Å²	44.7	36%	0.361	22%	0.223	S	C	.	.	S	Bend	trans	52.2	52.7	168.8	-61.7	95.9	0	0	0	114.5	Q561 R577 A578	Q561-H575 PolarHBondContact O-N 3.39Å; Q561-H575 VanDerWaalsContact O-N 3.15Å; Q561-H575 PolarHBondContact OE1-CD2 3.36Å; Q561-H575 VanDerWaalsContact OE1-CD2 3.29Å; H575-R577 PolarHBondContact O-N 2.89Å; H575-A578 HydrophobicContact CB-CB 3.78Å; H575-A578 WeakPolarHBondContact O-CB 3.34Å; H575-A578 PolarHBondContact O-N 3.39Å
576	Y	97.9	Very high	96.4	Very high	8 Å²	8	49.8 Å²	49.8	3%	0.031	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	110.5	-175.2	-173.4	-120.1	0	0	0	112.3	V365 V444 F463 A465 Y467 Y563 D574 A578	V365-Y576 HydrophobicContact CG2-CD1 4.33Å; V365-Y576 HydrophobicContact CG2-CE1 3.61Å; V444-Y576 HydrophobicContact CG1-CD1 3.69Å; V444-Y576 HydrophobicContact CG1-CE1 3.68Å; V444-Y576 HydrophobicContact CG2-CE1 4.19Å; F463-Y576 HydrophobicContact CE1-CD1 4.07Å; A465-Y576 HydrophobicContact CB-CD2 4.13Å; A465-Y576 HydrophobicContact CB-CE1 4.15Å; A465-Y576 HydrophobicContact CB-CE2 3.71Å; Y467-Y576 AromaticContact CE2-CE2 3.93Å; Y467-Y576 HydrophobicContact CE2-CE2 3.93Å; Y467-Y576 VanDerWaalsContact OH-CE2 3.28Å; Y467-Y576 WeakPolarHBondContact OH-CE2 3.36Å; Y467-Y576 PolarHBondContact OH-OH 3.04Å; Y563-Y576 HydrophobicContact CD2-CD2 4.43Å; Y563-Y576 AromaticContact CE1-CD2 3.96Å; Y563-Y576 HydrophobicContact CE1-CD2 3.96Å; Y563-Y576 HydrophobicContact CE1-CG 4.29Å; Y563-Y576 AromaticContact CE2-CD2 3.72Å; Y563-Y576 HydrophobicContact CE2-CD2 3.72Å; Y563-Y576 HydrophobicContact CE2-CE2 4.29Å; Y563-Y576 HydrophobicContact CE2-CG 4.36Å; Y563-Y576 AromaticContact CZ-CD2 3.45Å; Y563-Y576 VanDerWaalsContact CZ-CD2 3.45Å; Y563-Y576 WeakPolarHBondContact OH-CD2 3.45Å; D574-Y576 PolarHBondContact O-N 2.95Å; Y576-A578 PolarHBondContact O-N 2.85Å
577	R	96.8	Very high	96.1	Very high	31 Å²	31	53.1 Å²	53.1	12%	0.117	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	29.7	179.7	-58.6	175.6	62.1	80.7	2	113.2	D440 H575 T579 K580 V581 D761	D440-R577 IonicContact OD1-CZ 3.06Å; D440-R577 IonicContact OD1-NE 2.71Å; D440-R577 PolarHBondContact OD1-NE 3.26Å; D440-R577 IonicContact OD1-NH2 3.7Å; D440-R577 PolarHBondContact OD1-NH2 2.66Å; D440-R577 IonicContact OD2-CZ 3.48Å; D440-R577 IonicContact OD2-NE 3.4Å; D440-R577 IonicContact OD2-NH2 3.66Å; D440-R577 PolarHBondContact OD2-NH2 3.15Å; H575-R577 PolarHBondContact O-N 2.89Å; R577-T579 VanDerWaalsContact C-N 3.26Å; R577-T579 PolarHBondContact O-N 3.4Å; R577-K580 WeakPolarHBondContact O-CB 3.49Å; R577-K580 PolarHBondContact O-N 3.49Å; R577-V581 PolarHBondContact O-N 3.06Å; R577-V581 VanDerWaalsContact O-N 3.15Å; R577-D761 WeakPolarHBondContact CD-OD1 3.43Å; R577-D761 WeakPolarHBondContact CG-OD1 3.05Å; R577-D761 IonicContact CZ-OD1 2.79Å; R577-D761 IonicContact NE-OD1 3.83Å; R577-D761 IonicContact NH1-OD1 3.27Å; R577-D761 PolarHBondContact NH1-OD1 3.05Å
578	A	95.9	Very high	95.9	Very high	30 Å²	30	53.2 Å²	53.2	25%	0.248	26%	0.264	C	S	.	.	H	α-helix	trans	-55.2	-32.2	-164.4	0	0	0	0	0	115.2	H575 Y576 K580 V581 A582	H575-A578 HydrophobicContact CB-CB 3.78Å; H575-A578 WeakPolarHBondContact O-CB 3.34Å; H575-A578 PolarHBondContact O-N 3.39Å; Y576-A578 PolarHBondContact O-N 2.85Å; A578-K580 VanDerWaalsContact C-N 3.33Å; A578-K580 PolarHBondContact O-N 3.28Å; A578-V581 PolarHBondContact O-N 2.98Å; A578-A582 VanDerWaalsContact O-CB 3.22Å; A578-A582 WeakPolarHBondContact O-CB 3.34Å; A578-A582 PolarHBondContact O-N 2.88Å
579	T	96.4	Very high	95.6	Very high	88 Å²	88	53.7 Å²	53.7	54%	0.54	27%	0.27	S	S	.	.	H	α-helix	trans	-65.2	-33.9	175.1	-46.5	0	0	0	0	112.9	R577 F583 L765	R577-T579 VanDerWaalsContact C-N 3.26Å; R577-T579 PolarHBondContact O-N 3.4Å; T579-F583 VanDerWaalsContact O-CB 3.3Å; T579-F583 WeakPolarHBondContact O-CB 3.46Å; T579-F583 PolarHBondContact O-N 3Å; T579-F583 VanDerWaalsContact O-N 3.14Å; T579-L765 HydrophobicContact CG2-CD1 3.71Å
580	K	97.3	Very high	95.3	Very high	30 Å²	30	51.1 Å²	51.1	13%	0.13	26%	0.26	C	S	.	.	H	α-helix	trans	-78.9	-40	176.2	-56.1	-55.2	-176.2	-169.2	0	111	M417 Y418 D440 R577 A578 F583 W584	M417-K580 PolarHBondContact O-NZ 3.34Å; Y418-K580 HydrophobicContact CE1-CD 4.24Å; D440-K580 WeakPolarHBondContact OD2-CB 3.3Å; R577-K580 WeakPolarHBondContact O-CB 3.49Å; R577-K580 PolarHBondContact O-N 3.49Å; A578-K580 VanDerWaalsContact C-N 3.33Å; A578-K580 PolarHBondContact O-N 3.28Å; K580-F583 WeakPolarHBondContact O-CB 3.27Å; K580-F583 PolarHBondContact O-N 3.46Å; K580-W584 PolarHBondContact O-N 3.43Å; K580-W584 VanDerWaalsContact O-N 3.08Å
581	V	97.1	Very high	94.9	Very high	9 Å²	9	51.3 Å²	51.3	6%	0.055	26%	0.26	C	S	.	.	H	α-helix	trans	-58.6	-52.4	172.1	177.7	0	0	0	0	110.5	V444 E445 V448 R577 A578 F583 W584 K585	V444-V581 HydrophobicContact CG1-CG2 3.97Å; E445-V581 HydrophobicContact CG-CG1 4.13Å; V448-V581 HydrophobicContact CB-CG1 4.02Å; V448-V581 HydrophobicContact CB-CG2 4.42Å; V448-V581 HydrophobicContact CG1-CG1 3.78Å; V448-V581 HydrophobicContact CG2-CG2 4.25Å; R577-V581 PolarHBondContact O-N 3.06Å; R577-V581 VanDerWaalsContact O-N 3.15Å; A578-V581 PolarHBondContact O-N 2.98Å; V581-F583 VanDerWaalsContact C-N 3.27Å; V581-F583 PolarHBondContact O-N 3.23Å; V581-W584 PolarHBondContact O-N 2.76Å; V581-K585 WeakPolarHBondContact O-CB 3.44Å; V581-K585 PolarHBondContact O-N 2.69Å
582	A	96.4	Very high	94.1	Very high	44 Å²	44	52.5 Å²	52.5	36%	0.364	27%	0.265	S	S	.	.	H	α-helix	trans	-63.6	-30.5	178.3	0	0	0	0	0	113.1	A578 H586	A578-A582 VanDerWaalsContact O-CB 3.22Å; A578-A582 WeakPolarHBondContact O-CB 3.34Å; A578-A582 PolarHBondContact O-N 2.88Å; A582-H586 WeakPolarHBondContact O-CB 3.46Å; A582-H586 PolarHBondContact O-N 3.36Å
583	F	97.3	Very high	93.1	Very high	6 Å²	6	54.3 Å²	54.3	3%	0.026	27%	0.274	C	S	.	.	I	π-helix	trans	-61.8	-53	172.7	167.6	-109.4	0	0	0	111.5	T413 I414 M417 Y418 T579 K580 V581 L587 V588	T413-F583 HydrophobicContact CG2-CE2 3.83Å; T413-F583 HydrophobicContact CG2-CZ 4.41Å; I414-F583 HydrophobicContact CB-CZ 4.46Å; I414-F583 HydrophobicContact CG1-CE1 4.02Å; I414-F583 HydrophobicContact CG1-CZ 3.67Å; M417-F583 HydrophobicContact CB-CE1 4.37Å; M417-F583 HydrophobicContact CB-CE2 4.44Å; M417-F583 HydrophobicContact CB-CZ 4.3Å; M417-F583 HydrophobicContact CE-CB 4.01Å; M417-F583 HydrophobicContact CE-CD2 4.03Å; M417-F583 HydrophobicContact CE-CG 4.03Å; M417-F583 HydrophobicContact CG-CD2 3.85Å; M417-F583 HydrophobicContact CG-CE2 3.73Å; M417-F583 HydrophobicContact CG-CG 4.31Å; M417-F583 HydrophobicContact CG-CZ 4.07Å; Y418-F583 HydrophobicContact CE2-CD1 4.35Å; Y418-F583 HydrophobicContact CE2-CE1 4.19Å; T579-F583 VanDerWaalsContact O-CB 3.3Å; T579-F583 WeakPolarHBondContact O-CB 3.46Å; T579-F583 PolarHBondContact O-N 3Å; T579-F583 VanDerWaalsContact O-N 3.14Å; K580-F583 WeakPolarHBondContact O-CB 3.27Å; K580-F583 PolarHBondContact O-N 3.46Å; V581-F583 VanDerWaalsContact C-N 3.27Å; V581-F583 PolarHBondContact O-N 3.23Å; F583-L587 HydrophobicContact CD2-CB 4.08Å; F583-L587 HydrophobicContact CD2-CD2 3.9Å; F583-L587 HydrophobicContact CD2-CG 4.35Å; F583-L587 HydrophobicContact CE2-CD2 4.04Å; F583-L587 HydrophobicContact CE2-CG 4.44Å; F583-L587 WeakPolarHBondContact O-CB 3.41Å; F583-L587 PolarHBondContact O-N 3.35Å; F583-L587 VanDerWaalsContact O-N 3.07Å; F583-V588 HydrophobicContact CD1-CG2 4.29Å; F583-V588 HydrophobicContact CD2-CG2 4.26Å; F583-V588 HydrophobicContact CE1-CG2 3.74Å; F583-V588 HydrophobicContact CE2-CG2 3.69Å; F583-V588 HydrophobicContact CZ-CG2 3.41Å; F583-V588 VanDerWaalsContact CZ-CG2 3.41Å; F583-V588 PolarHBondContact O-N 2.91Å
584	W	96.3	Very high	91.6	Very high	8 Å²	8	50.8 Å²	50.8	3%	0.03	26%	0.263	C	S	.	.	I	π-helix	trans	-68.1	-45.5	178.5	-69.2	121.7	0	0	0	112.4	F396 Y401 I414 Y418 L437 H441 E445 K580 V581 H586 V588 P589	F396-W584 AromaticContact CE1-CH2 3.82Å; F396-W584 HydrophobicContact CE1-CH2 3.82Å; F396-W584 HydrophobicContact CE1-CZ2 4.47Å; F396-W584 HydrophobicContact CE1-CZ3 4.46Å; Y401-W584 HydrophobicContact CE2-CZ3 4.4Å; I414-W584 HydrophobicContact CD1-CH2 3.7Å; I414-W584 HydrophobicContact CD1-CZ3 3.85Å; I414-W584 HydrophobicContact CG1-CH2 3.78Å; I414-W584 HydrophobicContact CG1-CZ3 4.1Å; I414-W584 HydrophobicContact CG2-CH2 4.04Å; I414-W584 HydrophobicContact CG2-CZ2 4.44Å; Y418-W584 AromaticContact CE2-CZ2 3.73Å; Y418-W584 HydrophobicContact CE2-CZ2 3.73Å; Y418-W584 AromaticContact CE2-NE1 3.97Å; Y418-W584 AromaticContact CZ-NE1 3.83Å; Y418-W584 PolarHBondContact OH-NE1 3.45Å; L437-W584 HydrophobicContact CG-CZ2 4.32Å; H441-W584 HydrophobicContact CB-CD2 4.43Å; H441-W584 HydrophobicContact CB-CZ2 4.3Å; H441-W584 AromaticContact CD2-CD2 3.88Å; H441-W584 AromaticContact CD2-CE3 3.55Å; H441-W584 AromaticContact CD2-CZ3 3.7Å; E445-W584 HydrophobicContact CB-CB 4.22Å; E445-W584 HydrophobicContact CG-CB 3.86Å; K580-W584 PolarHBondContact O-N 3.43Å; K580-W584 VanDerWaalsContact O-N 3.08Å; V581-W584 PolarHBondContact O-N 2.76Å; W584-H586 PolarHBondContact O-N 3.37Å; W584-V588 HydrophobicContact CE3-CB 4.06Å; W584-V588 HydrophobicContact CE3-CG1 4.07Å; W584-V588 HydrophobicContact CE3-CG2 3.62Å; W584-V588 HydrophobicContact CZ3-CG1 4.21Å; W584-V588 HydrophobicContact CZ3-CG2 3.87Å; W584-P589 WeakPolarHBondContact O-CD 3.39Å
585	K	93.3	Very high	89.6	Confident	51 Å²	51	50 Å²	50	22%	0.222	26%	0.257	C	S	.	.	I	π-helix	trans	-69.7	-29.6	-176.5	-170.4	-179.7	-178.8	174.9	0	114.8	E445 V449 D452 V581	E445-K585 HydrophobicContact CG-CB 4.21Å; E445-K585 WeakPolarHBondContact OE1-CA 3.34Å; E445-K585 WeakPolarHBondContact OE1-CB 3.29Å; V449-K585 HydrophobicContact CG2-CD 3.84Å; V449-K585 HydrophobicContact CG2-CG 4.07Å; D452-K585 IonicContact OD2-NZ 2.69Å; D452-K585 PolarHBondContact OD2-NZ 2.88Å; V581-K585 WeakPolarHBondContact O-CB 3.44Å; V581-K585 PolarHBondContact O-N 2.69Å
586	H	93.4	Very high	87.4	Confident	122 Å²	122	52 Å²	52	57%	0.565	27%	0.27	S	S	*	.	I	π-helix	trans	-125.1	-46.9	-171.6	-57.8	-47.9	0	0	0	114.3	A582 W584	A582-H586 WeakPolarHBondContact O-CB 3.46Å; A582-H586 PolarHBondContact O-N 3.36Å; W584-H586 PolarHBondContact O-N 3.37Å
587	L	93.3	Very high	84.8	Confident	70 Å²	70	56.3 Å²	56.3	37%	0.366	29%	0.291	S	S	.	.	I	π-helix	trans	-77.5	-43.7	-175.5	-176	57.4	0	0	0	111.5	T413 F583 H590 L591	T413-L587 HydrophobicContact CG2-CD2 4.3Å; F583-L587 HydrophobicContact CD2-CB 4.08Å; F583-L587 HydrophobicContact CD2-CD2 3.9Å; F583-L587 HydrophobicContact CD2-CG 4.35Å; F583-L587 HydrophobicContact CE2-CD2 4.04Å; F583-L587 HydrophobicContact CE2-CG 4.44Å; F583-L587 WeakPolarHBondContact O-CB 3.41Å; F583-L587 PolarHBondContact O-N 3.35Å; F583-L587 VanDerWaalsContact O-N 3.07Å; L587-H590 WeakPolarHBondContact O-CB 2.86Å; L587-H590 PolarHBondContact O-N 3.38Å; L587-L591 HydrophobicContact CD1-CD1 4.3Å; L587-L591 HydrophobicContact CD1-CD2 4.29Å; L587-L591 HydrophobicContact CD1-CG 3.99Å; L587-L591 HydrophobicContact CD2-CD1 4.4Å; L587-L591 HydrophobicContact CG-CD1 3.91Å; L587-L591 HydrophobicContact CG-CG 4.07Å; L587-L591 WeakPolarHBondContact O-CG 3.35Å; L587-L591 PolarHBondContact O-N 3.28Å
588	V	92	Very high	82.3	Confident	1 Å²	1	61 Å²	61	1%	0.006	31%	0.313	C	S	.	.	H	α-helix	trans	-64.4	-47.2	-175.4	167	0	0	0	0	113.3	Y401 L410 F583 W584 H590 L591 Y592	Y401-V588 HydrophobicContact CE1-CG1 3.8Å; Y401-V588 WeakPolarHBondContact OH-CG1 3.19Å; L410-V588 HydrophobicContact CD1-CB 4.23Å; L410-V588 HydrophobicContact CD1-CG1 3.76Å; L410-V588 HydrophobicContact CD1-CG2 3.85Å; F583-V588 HydrophobicContact CD1-CG2 4.29Å; F583-V588 HydrophobicContact CD2-CG2 4.26Å; F583-V588 HydrophobicContact CE1-CG2 3.74Å; F583-V588 HydrophobicContact CE2-CG2 3.69Å; F583-V588 HydrophobicContact CZ-CG2 3.41Å; F583-V588 VanDerWaalsContact CZ-CG2 3.41Å; F583-V588 PolarHBondContact O-N 2.91Å; W584-V588 HydrophobicContact CE3-CB 4.06Å; W584-V588 HydrophobicContact CE3-CG1 4.07Å; W584-V588 HydrophobicContact CE3-CG2 3.62Å; W584-V588 HydrophobicContact CZ3-CG1 4.21Å; W584-V588 HydrophobicContact CZ3-CG2 3.87Å; V588-H590 VanDerWaalsContact C-N 3.27Å; V588-H590 PolarHBondContact O-N 3.08Å; V588-L591 PolarHBondContact O-N 3.18Å; V588-Y592 WeakPolarHBondContact O-CB 3.43Å; V588-Y592 PolarHBondContact O-N 2.96Å
589	P	89.1	Confident	79.4	Confident	59 Å²	59	65.3 Å²	65.3	38%	0.383	33%	0.327	S	S	.	.	H	α-helix	trans	-56.9	-38.5	171.6	-28.9	34.4	0	0	0	113.1	W584 N593	W584-P589 WeakPolarHBondContact O-CD 3.39Å; P589-N593 WeakPolarHBondContact O-CB 3.08Å; P589-N593 VanDerWaalsContact O-CG 3.27Å; P589-N593 PolarHBondContact O-N 3.1Å; P589-N593 PolarHBondContact O-ND2 3.38Å
590	H	87.9	Confident	76.4	Confident	96 Å²	96	71.3 Å²	71.3	44%	0.444	34%	0.342	S	S	.	.	H	α-helix	trans	-65.5	-46.6	175.4	-175.5	67.3	0	0	0	111.8	L587 V588 Y592 N593 L594	L587-H590 WeakPolarHBondContact O-CB 2.86Å; L587-H590 PolarHBondContact O-N 3.38Å; V588-H590 VanDerWaalsContact C-N 3.27Å; V588-H590 PolarHBondContact O-N 3.08Å; H590-Y592 VanDerWaalsContact C-N 3.32Å; H590-Y592 PolarHBondContact O-N 3.23Å; H590-N593 PolarHBondContact O-N 3.21Å; H590-L594 WeakPolarHBondContact O-CG 3.46Å; H590-L594 PolarHBondContact O-N 3.22Å
591	L	85.6	Confident	73.3	Confident	25 Å²	25	74.9 Å²	74.9	13%	0.131	37%	0.366	C	S	.	.	H	α-helix	trans	-62.1	-38	177.7	-69.6	179.3	0	0	0	112.6	T409 L410 T413 L587 V588 L594	T409-L591 HydrophobicContact CG2-CD2 4.18Å; L410-L591 HydrophobicContact CD1-CB 4.39Å; L410-L591 HydrophobicContact CD1-CD1 4.34Å; T413-L591 HydrophobicContact CG2-CD1 3.91Å; L587-L591 HydrophobicContact CD1-CD1 4.3Å; L587-L591 HydrophobicContact CD1-CD2 4.29Å; L587-L591 HydrophobicContact CD1-CG 3.99Å; L587-L591 HydrophobicContact CD2-CD1 4.4Å; L587-L591 HydrophobicContact CG-CD1 3.91Å; L587-L591 HydrophobicContact CG-CG 4.07Å; L587-L591 WeakPolarHBondContact O-CG 3.35Å; L587-L591 PolarHBondContact O-N 3.28Å; V588-L591 PolarHBondContact O-N 3.18Å; L591-L594 HydrophobicContact CD2-CD1 3.73Å
592	Y	79.4	Confident	70.3	Confident	107 Å²	107	79.2 Å²	79.2	42%	0.42	40%	0.397	S	S	.	.	H	α-helix	trans	-64.3	-44	174.9	-173.7	-97.7	0	0	0	111.4	Y401 P404 V588 H590 L594	Y401-Y592 AromaticContact CD1-CD2 3.83Å; Y401-Y592 HydrophobicContact CD1-CD2 3.83Å; Y401-Y592 HydrophobicContact CD1-CE2 4.11Å; Y401-Y592 HydrophobicContact CG-CD2 4.49Å; P404-Y592 HydrophobicContact CB-CE2 4.3Å; P404-Y592 HydrophobicContact CG-CD2 4.22Å; P404-Y592 HydrophobicContact CG-CE2 3.86Å; V588-Y592 WeakPolarHBondContact O-CB 3.43Å; V588-Y592 PolarHBondContact O-N 2.96Å; H590-Y592 VanDerWaalsContact C-N 3.32Å; H590-Y592 PolarHBondContact O-N 3.23Å; Y592-L594 VanDerWaalsContact C-N 3.34Å; Y592-L594 PolarHBondContact O-N 2.88Å
593	N	76.6	Confident	67.4	Low	79 Å²	79	83.3 Å²	83.3	42%	0.422	42%	0.418	S	S	.	.	H	α-helix	trans	-82.4	-1.9	-178.3	-67.2	-23	0	0	0	114.9	P589 H590 H595 D596	P589-N593 WeakPolarHBondContact O-CB 3.08Å; P589-N593 VanDerWaalsContact O-CG 3.27Å; P589-N593 PolarHBondContact O-N 3.1Å; P589-N593 PolarHBondContact O-ND2 3.38Å; H590-N593 PolarHBondContact O-N 3.21Å; N593-H595 PolarHBondContact O-N 3.44Å; N593-H595 VanDerWaalsContact O-N 3.14Å; N593-D596 PolarHBondContact O-N 3.32Å
594	L	67.1	Low	64.6	Low	38 Å²	38	88.6 Å²	88.6	20%	0.199	45%	0.451	C	S	.	.	H	α-helix	trans	-56.6	-33.3	-174.5	-91.9	176.4	0	0	0	113.3	H590 L591 Y592 M597 F598	H590-L594 WeakPolarHBondContact O-CG 3.46Å; H590-L594 PolarHBondContact O-N 3.22Å; L591-L594 HydrophobicContact CD2-CD1 3.73Å; Y592-L594 VanDerWaalsContact C-N 3.34Å; Y592-L594 PolarHBondContact O-N 2.88Å; L594-M597 HydrophobicContact CD2-CE 4.08Å; L594-F598 WeakPolarHBondContact O-CD2 3.44Å; L594-F598 WeakPolarHBondContact O-CE2 3.02Å
595	H	55.8	Low	61.7	Low	71 Å²	71	94.3 Å²	94.3	33%	0.329	49%	0.486	S	S	.	.	H	α-helix	trans	-85.4	-29.3	-173.1	-74.9	27.4	0	0	0	114.1	E405 N593 M597 F598 H599	E405-H595 PolarHBondContact O-CD2 2.66Å; N593-H595 PolarHBondContact O-N 3.44Å; N593-H595 VanDerWaalsContact O-N 3.14Å; H595-M597 PolarHBondContact O-N 3.44Å; H595-F598 PolarHBondContact O-N 2.97Å; H595-F598 VanDerWaalsContact O-N 3.08Å; H595-H599 PolarHBondContact O-CD2 3.4Å; H595-H599 VanDerWaalsContact O-CD2 3.23Å; H595-H599 PolarHBondContact O-N 3.46Å
596	D	52	Low	58.8	Low	118 Å²	118	101.7 Å²	101.7	63%	0.631	52%	0.519	S	S	*	.	H	α-helix	trans	-61.7	-33.8	171.8	-87	-30.2	0	0	0	112.2	N593 F598 H599 Y600	N593-D596 PolarHBondContact O-N 3.32Å; D596-F598 VanDerWaalsContact C-N 3.35Å; D596-F598 PolarHBondContact O-N 3.28Å; D596-H599 PolarHBondContact O-N 3.01Å; D596-Y600 PolarHBondContact O-N 2.75Å
597	M	43.3	Very low	55.8	Low	100 Å²	100	102 Å²	102	49%	0.493	53%	0.529	S	S	.	.	H	α-helix	trans	-65.3	-34.6	173.8	-63	-158.5	-55.6	0	0	113.1	L594 H595 T601	L594-M597 HydrophobicContact CD2-CE 4.08Å; H595-M597 PolarHBondContact O-N 3.44Å; M597-T601 PolarHBondContact O-N 2.92Å; M597-T601 PolarHBondContact O-OG1 2.94Å
598	F	42.4	Very low	52.8	Low	129 Å²	129	103.9 Å²	103.9	57%	0.566	55%	0.545	S	S	*	.	H	α-helix	trans	-76.9	-28	179.8	-71.9	-62.9	0	0	0	112.8	L594 H595 D596 T601 S602	L594-F598 WeakPolarHBondContact O-CD2 3.44Å; L594-F598 WeakPolarHBondContact O-CE2 3.02Å; H595-F598 PolarHBondContact O-N 2.97Å; H595-F598 VanDerWaalsContact O-N 3.08Å; D596-F598 VanDerWaalsContact C-N 3.35Å; D596-F598 PolarHBondContact O-N 3.28Å; F598-T601 PolarHBondContact O-N 2.89Å; F598-S602 PolarHBondContact O-N 3.48Å
599	H	35.3	Very low	49.9	Very low	120 Å²	120	109.3 Å²	109.3	56%	0.556	58%	0.58	S	S	*	*	H	α-helix	trans	-67.1	-37.7	171.5	-72.9	-62.6	0	0	0	112.7	H595 D596 T601 S602	H595-H599 PolarHBondContact O-CD2 3.4Å; H595-H599 VanDerWaalsContact O-CD2 3.23Å; H595-H599 PolarHBondContact O-N 3.46Å; D596-H599 PolarHBondContact O-N 3.01Å; H599-T601 VanDerWaalsContact C-N 3.27Å; H599-T601 PolarHBondContact O-N 3.48Å; H599-S602 PolarHBondContact O-N 2.87Å
600	Y	34.3	Very low	47.3	Very low	214 Å²	214	112.4 Å²	112.4	84%	0.839	60%	0.601	S	S	*	*	H	α-helix	trans	-67.8	-24	174.7	-108.7	-83.7	0	0	0	114.4	D596	D596-Y600 PolarHBondContact O-N 2.75Å
601	T	32.7	Very low	44.6	Very low	105 Å²	105	115.7 Å²	115.7	64%	0.644	62%	0.622	S	S	*	*	H	α-helix	trans	-91.9	-9.6	-177.3	-41.8	0	0	0	0	112.7	M597 F598 H599 T603	M597-T601 PolarHBondContact O-N 2.92Å; M597-T601 PolarHBondContact O-OG1 2.94Å; F598-T601 PolarHBondContact O-N 2.89Å; H599-T601 VanDerWaalsContact C-N 3.27Å; H599-T601 PolarHBondContact O-N 3.48Å; T601-T603 PolarHBondContact O-N 3.34Å
602	S	33.4	Very low	41.9	Very low	101 Å²	101	120.7 Å²	120.7	71%	0.706	65%	0.653	S	S	*	*			trans	-102.1	49.6	-175.8	-150.5	0	0	0	0	113.2	F598 H599	F598-S602 PolarHBondContact O-N 3.48Å; H599-S602 PolarHBondContact O-N 2.87Å
603	T	36	Very low	39.5	Very low	129 Å²	129	120.9 Å²	120.9	79%	0.791	67%	0.666	S	S	*	*			trans	-139.3	47.7	170.4	-32.6	0	0	0	0	113	T601	T601-T603 PolarHBondContact O-N 3.34Å
604	T	37.7	Very low	37.2	Very low	117 Å²	117	125.6 Å²	125.6	72%	0.718	69%	0.685	S	S	*	*	S	Bend	trans	-139	128	164.8	173.8	0	0	0	0	111.4
605	T	35.8	Very low	35.2	Very low	128 Å²	128	129 Å²	129	79%	0.785	71%	0.712	S	S	*	*			trans	84.8	64.6	-179.7	69.4	0	0	0	0	119.2
606	K	31.5	Very low	33.8	Very low	206 Å²	206	130.2 Å²	130.2	90%	0.896	73%	0.728	S	S	*	*			trans	-104.5	111.8	135.8	-79.9	-173.4	177.7	176.2	0	109.2
607	V	31.3	Very low	32.6	Very low	129 Å²	129	134.3 Å²	134.3	78%	0.782	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-67.9	131.1	173.4	179	0	0	0	0	108.7
608	P	30.2	Very low	31.8	Very low	109 Å²	109	136.4 Å²	136.4	71%	0.708	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-71.2	140.4	176	-14.4	28.9	0	0	0	111.4
609	P	31.5	Very low	31	Very low	115 Å²	115	137.2 Å²	137.2	75%	0.747	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-69.3	152.5	162.8	31.8	-33.4	0	0	0	110.1
610	P	33.5	Very low	30.7	Very low	125 Å²	125	142.4 Å²	142.4	81%	0.812	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-73.4	144.2	-176.1	30.1	-35	0	0	0	112.7
611	D	31.5	Very low	30.4	Very low	165 Å²	165	143.9 Å²	143.9	88%	0.882	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-62.1	138.3	-179	-74.3	-57	0	0	0	114.2
612	T	28.8	Very low	30.3	Very low	129 Å²	129	144.4 Å²	144.4	79%	0.791	79%	0.794	S	S	*	*			trans	-131.2	89.4	155.4	55.4	0	0	0	0	111.7
613	T	29.8	Very low	30.2	Very low	111 Å²	111	147.5 Å²	147.5	68%	0.681	80%	0.803	S	S	*	*			trans	50.7	121.4	133.4	53.2	0	0	0	0	122.4
614	H	26.4	Very low	30	Very low	179 Å²	179	144.7 Å²	144.7	83%	0.829	80%	0.8	S	S	*	*			trans	90.7	142.1	131.2	-77.7	-57.9	0	0	0	123.3
615	S	26.8	Very low	29.6	Very low	109 Å²	109	149.4 Å²	149.4	76%	0.762	81%	0.811	S	S	*	*			trans	70.5	114.2	176.4	72.1	0	0	0	0	115.9
616	S	25	Very low	29.1	Very low	96 Å²	96	149.2 Å²	149.2	67%	0.671	81%	0.809	S	S	*	*			cis	94.2	99.9	31.1	80.3	0	0	0	0	115
617	H	27.4	Very low	28.9	Very low	204 Å²	204	150.3 Å²	150.3	94%	0.944	81%	0.808	S	S	*	*			trans	-132.1	138.2	147.5	-89.6	-68.1	0	0	0	110.8
618	I	26.5	Very low	28.7	Very low	144 Å²	144	148.1 Å²	148.1	74%	0.738	80%	0.798	S	S	*	*			trans	-110.2	135.2	-173.3	-68.6	166.4	0	0	0	108.8
619	T	26.4	Very low	28.6	Very low	147 Å²	147	149.7 Å²	149.7	90%	0.902	81%	0.806	S	S	*	*			trans	-131.1	116.7	151	35.7	0	0	0	0	110.1
620	R	27.5	Very low	28.5	Very low	229 Å²	229	153.1 Å²	153.1	86%	0.864	81%	0.809	S	S	*	*			trans	-87.9	141.3	176.2	-98.7	177.6	166.5	175.2	-3.6	110.6
621	R	27.6	Very low	28.3	Very low	245 Å²	245	158.9 Å²	158.9	93%	0.925	82%	0.815	S	S	*	*			trans	-134.1	154.5	141.4	-82.9	-162.6	177.4	-170.5	1.1	109.9
622	P	32.4	Very low	28.2	Very low	115 Å²	115	156.9 Å²	156.9	75%	0.747	81%	0.811	S	S	*	*			trans	-102.5	150.6	-142.5	-1.8	23.2	0	0	0	116.2
623	N	31.5	Very low	28.2	Very low	166 Å²	166	155.2 Å²	155.2	89%	0.888	81%	0.81	S	S	*	*			trans	15.8	127.4	149.7	-61.5	-4.2	0	0	0	119.3
624	G	30.9	Very low	28.1	Very low	71 Å²	71	158.1 Å²	158.1	73%	0.732	82%	0.82	S	S	*	*			cis	126.7	150.5	-7.2	0	0	0	0	0	114.8
625	K	29.2	Very low	28.2	Very low	216 Å²	216	154.6 Å²	154.6	94%	0.939	82%	0.815	S	S	*	*			trans	-175.7	131	140.5	-103.1	171.2	-176.3	-177.5	0	110.8
626	T	25.7	Very low	28.8	Very low	123 Å²	123	155.4 Å²	155.4	76%	0.755	82%	0.818	S	S	*	*			trans	-79.6	171.5	170.1	41.5	0	0	0	0	110
627	W	27.4	Very low	29	Very low	229 Å²	229	154.9 Å²	154.9	87%	0.867	82%	0.819	S	S	*	*			cis	-171.3	151	40	-149.7	-30.3	0	0	0	112.6
628	S	26.4	Very low	29.1	Very low	83 Å²	83	156.1 Å²	156.1	58%	0.58	82%	0.817	S	S	*	*			trans	40	127.5	143.7	162.8	0	0	0	0	121.2
629	T	29.3	Very low	29.1	Very low	142 Å²	142	154 Å²	154	87%	0.871	82%	0.815	S	S	*	*				-148.5	131.8	116.4	19	0	0	0	0	114.2
630	K	28.1	Very low	29.1	Very low	187 Å²	187	154.1 Å²	154.1	81%	0.813	81%	0.81	S	S	*	*			trans	-32.2	139.9	153.4	-67.3	170.7	169.2	-178	0	115.3
631	R	30	Very low	29.4	Very low	247 Å²	247	150.9 Å²	150.9	93%	0.932	81%	0.805	S	S	*	*			trans	-70.3	141.6	156	-71.2	-177.7	179	179.5	-0.4	110.6
632	P	29.5	Very low	29.4	Very low	123 Å²	123	145.7 Å²	145.7	80%	0.799	80%	0.796	S	S	*	*			trans	-105	162.6	145.5	5.3	15.8	0	0	0	110.8
633	A	28.1	Very low	29.3	Very low	94 Å²	94	144.3 Å²	144.3	78%	0.777	79%	0.794	S	S	*	*			trans	-88	156.6	177.8	0	0	0	0	0	112.6
634	I	27	Very low	29.2	Very low	171 Å²	171	145.9 Å²	145.9	88%	0.877	80%	0.796	S	S	*	*			trans	-136.2	134.1	161.7	-59	-179.4	0	0	0	108.8
635	S	29.6	Very low	29	Very low	105 Å²	105	146 Å²	146	73%	0.734	80%	0.798	S	S	*	*			trans	-144.8	173.8	168	-52.2	0	0	0	0	106.8
636	P	39.7	Very low	28.8	Very low	127 Å²	127	141 Å²	141	83%	0.825	79%	0.789	S	S	*	*			cis	-117.1	-170.5	-46.3	34.9	-20	0	0	0	110.1
637	A	29.3	Very low	28.8	Very low	84 Å²	84	146 Å²	146	69%	0.694	80%	0.795	S	S	*	*			trans	-82.8	134.8	174.4	0	0	0	0	0	112.6
638	Y	28.7	Very low	28.7	Very low	230 Å²	230	142.3 Å²	142.3	90%	0.902	79%	0.792	S	S	*	*				171.8	143.3	114.2	-110.6	-89.1	0	0	0	111.9
639	S	26.1	Very low	28.8	Very low	100 Å²	100	142.1 Å²	142.1	70%	0.699	80%	0.803	S	S	*	*			trans	-98.8	129.4	176.9	-40.4	0	0	0	0	110.9
640	N	28	Very low	28.8	Very low	149 Å²	149	142 Å²	142	80%	0.797	80%	0.797	S	S	*	*				-177.8	112.6	114	-94.7	-0.9	0	0	0	113.5
641	E	32.1	Very low	28.9	Very low	162 Å²	162	140 Å²	140	76%	0.757	79%	0.791	S	S	*	*			trans	42.9	127.2	135.3	-67.5	-158.2	143	0	0	124.2
642	N	29.1	Very low	28.9	Very low	135 Å²	135	135.2 Å²	135.2	72%	0.722	78%	0.784	S	S	*	*			trans	87.6	89.3	134.7	-64.8	-23.5	0	0	0	121.8
643	A	29.7	Very low	28.9	Very low	87 Å²	87	134.1 Å²	134.1	72%	0.719	79%	0.785	S	S	*	*				102.4	120.4	108.4	0	0	0	0	0	121.3
644	Q	28.3	Very low	28.9	Very low	198 Å²	198	133.1 Å²	133.1	93%	0.925	78%	0.784	S	S	*	*			trans	66.9	107.9	148.2	-70.4	-178.2	-31	0	0	121.5
645	G	27.8	Very low	29.5	Very low	74 Å²	74	130.6 Å²	130.6	76%	0.763	78%	0.779	S	S	*	*				130.9	106.8	106.3	0	0	0	0	0	120.1
646	S	25	Very low	29.5	Very low	110 Å²	110	134.2 Å²	134.2	77%	0.769	79%	0.789	S	S	*	*			trans	63.6	96.3	147	-156	0	0	0	0	119.3
647	W	24.7	Very low	29.3	Very low	230 Å²	230	135.9 Å²	135.9	87%	0.871	79%	0.79	S	S	*	*				89.1	139	73.1	-90.2	93	0	0	0	115.9
648	N	27.1	Very low	29.5	Very low	150 Å²	150	138.6 Å²	138.6	80%	0.802	80%	0.798	S	S	*	*			trans	74.7	130.8	175.3	-50.9	-21.6	0	0	0	115.8
649	G	27.2	Very low	29.8	Very low	80 Å²	80	136.6 Å²	136.6	83%	0.825	80%	0.797	S	S	*	*			cis	169.8	177.7	-0.8	0	0	0	0	0	107.5
650	D	29.9	Very low	30.2	Very low	138 Å²	138	138.9 Å²	138.9	74%	0.738	80%	0.801	S	S	*	*			cis	-163.1	160	-14.1	-165.5	15	0	0	0	107.9
651	Q	30.5	Very low	31.1	Very low	146 Å²	146	137.2 Å²	137.2	68%	0.682	80%	0.798	S	S	*	*			trans	65.9	120	162.6	-74	160.6	52.7	0	0	124.2
652	D	30.3	Very low	31.8	Very low	146 Å²	146	139.8 Å²	139.8	78%	0.781	80%	0.801	S	S	*	*				82.5	125.2	124.4	-66.9	-7.8	0	0	0	126.9
653	A	28.7	Very low	32.5	Very low	101 Å²	101	140.3 Å²	140.3	84%	0.835	80%	0.804	S	S	*	*			trans	64.7	136.1	140	0	0	0	0	0	121.9
654	G	29.1	Very low	33.5	Very low	72 Å²	72	145.7 Å²	145.7	74%	0.742	81%	0.807	S	S	*	*			trans	-82.7	-160.2	175.4	0	0	0	0	0	114.3
655	P	37.8	Very low	35	Very low	119 Å²	119	140.2 Å²	140.2	77%	0.773	79%	0.79	S	S	*	*			cis	-120.5	166.4	12.8	40.7	-28.5	0	0	0	114.9
656	L	30.6	Very low	36.7	Very low	180 Å²	180	141.2 Å²	141.2	94%	0.942	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-82.4	132.9	167.5	-81.1	168.5	0	0	0	111.2
657	L	34.7	Very low	38.6	Very low	163 Å²	163	142.7 Å²	142.7	85%	0.853	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-80.9	145.7	-176.8	-73.4	163.5	0	0	0	112.2
658	V	34	Very low	40.7	Very low	141 Å²	141	137 Å²	137	86%	0.855	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-69.1	135.8	168.2	174.3	0	0	0	0	109.8
659	E	35.7	Very low	42.6	Very low	188 Å²	188	133.1 Å²	133.1	88%	0.879	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-68.7	152.3	175.9	-84.2	-177.2	127.5	0	0	113.3
660	N	34.3	Very low	45.1	Very low	148 Å²	148	133.7 Å²	133.7	79%	0.791	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-80.2	135.8	-164.2	-124.4	-28.7	0	0	0	113.2	R662	N660-R662 PolarHBondContact O-N 3.2Å
661	P	46.7	Very low	47.6	Very low	114 Å²	114	131.8 Å²	131.8	74%	0.74	73%	0.728	S	S	*	*			trans	-90.5	95.5	172.4	33.5	-30.9	0	0	0	111.4
662	R	45.9	Very low	50.2	Low	216 Å²	216	130 Å²	130	82%	0.815	72%	0.722	S	S	*	*			trans	-137.7	-10.3	174.9	-98	-169.7	177.4	173.8	1	119.7	N660	N660-R662 PolarHBondContact O-N 3.2Å
663	D	44.3	Very low	52.7	Low	145 Å²	145	125.7 Å²	125.7	78%	0.775	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	1.3	-171.6	-66.7	-31.4	0	0	0	116.3	S665	D663-S665 PolarHBondContact O-N 3.26Å
664	Y	50.8	Low	55.7	Low	200 Å²	200	124.7 Å²	124.7	78%	0.784	69%	0.69	S	S	*	*	H	α-helix	trans	-71.9	-4.9	176.3	-84.5	-78	0	0	0	115.4	L668	Y664-L668 WeakPolarHBondContact O-CB 3.49Å
665	S	60.4	Low	58.5	Low	83 Å²	83	123.1 Å²	123.1	58%	0.58	67%	0.674	S	S	*	*	H	α-helix	trans	-76.1	-30.1	-170.9	-173.6	0	0	0	0	114.6	D663 S669	D663-S665 PolarHBondContact O-N 3.26Å; S665-S669 WeakPolarHBondContact O-CB 3.37Å; S665-S669 PolarHBondContact O-OG 2.92Å
666	T	63.7	Low	60.8	Low	96 Å²	96	120.3 Å²	120.3	59%	0.589	66%	0.66	S	S	*	*	H	α-helix	trans	-89.4	-49.2	-170.1	44.8	0	0	0	0	111.9	L668 S669 V670	T666-L668 PolarHBondContact O-N 3.38Å; T666-S669 PolarHBondContact O-N 2.72Å; T666-V670 WeakPolarHBondContact O-CG2 3.5Å; T666-V670 PolarHBondContact O-N 3.35Å
667	E	64.8	Low	63.5	Low	141 Å²	141	115.1 Å²	115.1	66%	0.659	64%	0.639	S	S	*	*	H	α-helix	trans	-63.7	-40.7	-178.7	-60.4	-171.2	159.1	0	0	112.5	V670 T671	E667-V670 PolarHBondContact O-N 3.24Å; E667-T671 WeakPolarHBondContact O-CB 3.2Å; E667-T671 PolarHBondContact O-N 2.72Å; E667-T671 PolarHBondContact O-OG1 3Å
668	L	67.6	Low	66.1	Low	109 Å²	109	112 Å²	112	57%	0.571	62%	0.623	S	S	*	*	H	α-helix	trans	-63	-42.7	174.5	-171.1	68	0	0	0	111.4	Y664 T666 T671 I672	Y664-L668 WeakPolarHBondContact O-CB 3.49Å; T666-L668 PolarHBondContact O-N 3.38Å; L668-T671 PolarHBondContact O-N 2.96Å; L668-I672 HydrophobicContact CD1-CD1 4.45Å; L668-I672 HydrophobicContact CG-CD1 3.99Å; L668-I672 VanDerWaalsContact O-CG1 3.28Å; L668-I672 WeakPolarHBondContact O-CG1 3.48Å; L668-I672 PolarHBondContact O-N 3.26Å
669	S	67.1	Low	68.7	Low	69 Å²	69	111.2 Å²	111.2	48%	0.483	61%	0.613	S	S	.	*	H	α-helix	trans	-65	-40.3	178.4	-61.5	0	0	0	0	112.4	S665 T666 A673	S665-S669 WeakPolarHBondContact O-CB 3.37Å; S665-S669 PolarHBondContact O-OG 2.92Å; T666-S669 PolarHBondContact O-N 2.72Å; S669-A673 WeakPolarHBondContact O-CB 3.45Å; S669-A673 PolarHBondContact O-N 3.26Å
670	V	80.1	Confident	71.2	Confident	93 Å²	93	108.8 Å²	108.8	56%	0.564	60%	0.6	S	S	*	*	H	α-helix	trans	-65.3	-44.4	174.8	171.9	0	0	0	0	110.8	T666 E667 I672 A673 V674	T666-V670 WeakPolarHBondContact O-CG2 3.5Å; T666-V670 PolarHBondContact O-N 3.35Å; E667-V670 PolarHBondContact O-N 3.24Å; V670-I672 PolarHBondContact O-N 3.1Å; V670-A673 PolarHBondContact O-N 2.91Å; V670-V674 HydrophobicContact CG1-CG2 4.42Å; V670-V674 WeakPolarHBondContact O-CG2 3.28Å; V670-V674 PolarHBondContact O-N 3.31Å
671	T	83.1	Confident	73.9	Confident	97 Å²	97	106.9 Å²	106.9	60%	0.595	59%	0.589	S	S	*	*	H	α-helix	trans	-60.8	-44.8	178.6	-54.4	0	0	0	0	111.4	E667 L668 V674 G675	E667-T671 WeakPolarHBondContact O-CB 3.2Å; E667-T671 PolarHBondContact O-N 2.72Å; E667-T671 PolarHBondContact O-OG1 3Å; L668-T671 PolarHBondContact O-N 2.96Å; T671-V674 PolarHBondContact O-N 3.14Å; T671-G675 PolarHBondContact O-N 3.14Å
672	I	85.4	Confident	75.7	Confident	110 Å²	110	106.4 Å²	106.4	56%	0.564	58%	0.58	S	S	*	*	H	α-helix	trans	-63.1	-43.3	175.7	-68.8	166.5	0	0	0	111.1	L668 V670 G675 A676	L668-I672 HydrophobicContact CD1-CD1 4.45Å; L668-I672 HydrophobicContact CG-CD1 3.99Å; L668-I672 VanDerWaalsContact O-CG1 3.28Å; L668-I672 WeakPolarHBondContact O-CG1 3.48Å; L668-I672 PolarHBondContact O-N 3.26Å; V670-I672 PolarHBondContact O-N 3.1Å; I672-G675 PolarHBondContact O-N 3.32Å; I672-A676 WeakPolarHBondContact O-CB 3.17Å; I672-A676 PolarHBondContact O-N 2.85Å
673	A	82.4	Confident	77.8	Confident	54 Å²	54	100.3 Å²	100.3	45%	0.446	57%	0.567	S	S	.	*	H	α-helix	trans	-64.2	-41.5	179.1	0	0	0	0	0	112.7	S669 V670 S677	S669-A673 WeakPolarHBondContact O-CB 3.45Å; S669-A673 PolarHBondContact O-N 3.26Å; V670-A673 PolarHBondContact O-N 2.91Å; A673-S677 WeakPolarHBondContact O-CB 3.41Å; A673-S677 PolarHBondContact O-N 3.23Å; A673-S677 PolarHBondContact O-OG 2.73Å
674	V	90.9	Very high	79.9	Confident	81 Å²	81	97.8 Å²	97.8	49%	0.491	55%	0.553	S	S	.	*	H	α-helix	trans	-66.4	-45.8	175	173.6	0	0	0	0	110.8	V670 T671 A676 S677 L678	V670-V674 HydrophobicContact CG1-CG2 4.42Å; V670-V674 WeakPolarHBondContact O-CG2 3.28Å; V670-V674 PolarHBondContact O-N 3.31Å; T671-V674 PolarHBondContact O-N 3.14Å; V674-A676 PolarHBondContact O-N 2.91Å; V674-S677 PolarHBondContact O-N 3.16Å; V674-L678 HydrophobicContact CG1-CD1 4.05Å; V674-L678 WeakPolarHBondContact O-CG 3.5Å; V674-L678 PolarHBondContact O-N 2.79Å
675	G	88.4	Confident	81.6	Confident	39 Å²	39	90.5 Å²	90.5	40%	0.402	53%	0.534	S	S	.	.	H	α-helix	trans	-59.3	-46.3	177	0	0	0	0	0	112.9	T671 I672 S677 L678 L679	T671-G675 PolarHBondContact O-N 3.14Å; I672-G675 PolarHBondContact O-N 3.32Å; G675-S677 VanDerWaalsContact C-N 3.34Å; G675-S677 PolarHBondContact O-N 2.9Å; G675-L678 PolarHBondContact O-N 3.26Å; G675-L679 WeakPolarHBondContact O-CB 3.45Å; G675-L679 PolarHBondContact O-N 3.01Å
676	A	85.7	Confident	82.9	Confident	59 Å²	59	93.8 Å²	93.8	49%	0.488	54%	0.539	S	S	.	.	H	α-helix	trans	-63	-38.6	176.1	0	0	0	0	0	112.6	I672 V674 L679 F680	I672-A676 WeakPolarHBondContact O-CB 3.17Å; I672-A676 PolarHBondContact O-N 2.85Å; V674-A676 PolarHBondContact O-N 2.91Å; A676-L679 PolarHBondContact O-N 3.44Å; A676-F680 WeakPolarHBondContact O-CB 3.22Å; A676-F680 PolarHBondContact O-N 2.96Å
677	S	86.6	Confident	84	Confident	71 Å²	71	91.9 Å²	91.9	50%	0.497	53%	0.533	S	S	.	.	H	α-helix	trans	-66.2	-41.9	177.9	-59.8	0	0	0	0	112.3	A673 V674 G675 F680 L681	A673-S677 WeakPolarHBondContact O-CB 3.41Å; A673-S677 PolarHBondContact O-N 3.23Å; A673-S677 PolarHBondContact O-OG 2.73Å; V674-S677 PolarHBondContact O-N 3.16Å; G675-S677 VanDerWaalsContact C-N 3.34Å; G675-S677 PolarHBondContact O-N 2.9Å; S677-F680 PolarHBondContact O-N 3.36Å; S677-L681 PolarHBondContact O-N 2.8Å
678	L	89.1	Confident	84.8	Confident	99 Å²	99	88 Å²	88	52%	0.518	52%	0.524	S	S	.	.	H	α-helix	trans	-66.6	-39	175	-70.4	171.2	0	0	0	112	V674 G675 L681 N682	V674-L678 HydrophobicContact CG1-CD1 4.05Å; V674-L678 WeakPolarHBondContact O-CG 3.5Å; V674-L678 PolarHBondContact O-N 2.79Å; G675-L678 PolarHBondContact O-N 3.26Å; L678-L681 PolarHBondContact O-N 2.66Å; L678-N682 PolarHBondContact O-N 2.83Å; L678-N682 PolarHBondContact O-ND2 3.2Å
679	L	89.5	Confident	85.5	Confident	123 Å²	123	88 Å²	88	64%	0.644	52%	0.524	S	S	*	.	H	α-helix	trans	-60.8	-45.7	173.7	-165.3	103.4	0	0	0	111.1	G675 A676 N682 V683	G675-L679 WeakPolarHBondContact O-CB 3.45Å; G675-L679 PolarHBondContact O-N 3.01Å; A676-L679 PolarHBondContact O-N 3.44Å; L679-N682 PolarHBondContact O-N 3.33Å; L679-V683 WeakPolarHBondContact O-CG2 3.31Å; L679-V683 PolarHBondContact O-N 3.4Å
680	F	88.9	Confident	86.2	Confident	138 Å²	138	92.9 Å²	92.9	61%	0.605	53%	0.534	S	S	*	.	H	α-helix	trans	-64.7	-40.5	179.3	-160.3	-100.5	0	0	0	112.3	A676 S677 N682 V683 L684	A676-F680 WeakPolarHBondContact O-CB 3.22Å; A676-F680 PolarHBondContact O-N 2.96Å; S677-F680 PolarHBondContact O-N 3.36Å; F680-N682 PolarHBondContact O-N 3.11Å; F680-V683 PolarHBondContact O-N 3.47Å; F680-L684 HydrophobicContact CD1-CD1 3.8Å; F680-L684 HydrophobicContact CD1-CG 4.23Å; F680-L684 HydrophobicContact CE1-CD1 3.75Å; F680-L684 HydrophobicContact CE1-CD2 4.48Å; F680-L684 HydrophobicContact CE1-CG 4.15Å; F680-L684 WeakPolarHBondContact O-CG 3.45Å; F680-L684 PolarHBondContact O-N 3.28Å
681	L	90.5	Very high	86.1	Confident	108 Å²	108	96.3 Å²	96.3	57%	0.565	54%	0.537	S	S	*	.	H	α-helix	trans	-60.8	-42.1	172.8	-82.8	167.1	0	0	0	112.4	S677 L678 L684 A685	S677-L681 PolarHBondContact O-N 2.8Å; L678-L681 PolarHBondContact O-N 2.66Å; L681-L684 PolarHBondContact O-N 3.32Å; L681-A685 WeakPolarHBondContact O-CB 3.29Å; L681-A685 PolarHBondContact O-N 3.43Å
682	N	83.6	Confident	85.7	Confident	103 Å²	103	100.9 Å²	100.9	55%	0.551	54%	0.544	S	S	*	.	H	α-helix	trans	-64.4	-41.4	175.8	-78.9	-37.5	0	0	0	112.2	L678 L679 F680 L684 A685 F686	L678-N682 PolarHBondContact O-N 2.83Å; L678-N682 PolarHBondContact O-ND2 3.2Å; L679-N682 PolarHBondContact O-N 3.33Å; F680-N682 PolarHBondContact O-N 3.11Å; N682-L684 PolarHBondContact O-N 2.75Å; N682-A685 PolarHBondContact O-N 3.31Å; N682-F686 WeakPolarHBondContact O-CD2 3.16Å; N682-F686 PolarHBondContact O-N 3.22Å
683	V	90	Very high	85.2	Confident	88 Å²	88	102.3 Å²	102.3	53%	0.533	55%	0.546	S	S	.	.	H	α-helix	trans	-61.7	-43.5	174.8	172.5	0	0	0	0	111.3	L679 F680 F686 A687	L679-V683 WeakPolarHBondContact O-CG2 3.31Å; L679-V683 PolarHBondContact O-N 3.4Å; F680-V683 PolarHBondContact O-N 3.47Å; V683-F686 PolarHBondContact O-N 3.23Å; V683-A687 WeakPolarHBondContact O-CB 3.33Å; V683-A687 PolarHBondContact O-N 3.29Å
684	L	89.1	Confident	84.6	Confident	92 Å²	92	102.7 Å²	102.7	48%	0.482	54%	0.541	S	S	.	.	H	α-helix	trans	-63.9	-39.9	175.4	-71.3	175	0	0	0	112.6	F680 L681 N682 A687 A688	F680-L684 HydrophobicContact CD1-CD1 3.8Å; F680-L684 HydrophobicContact CD1-CG 4.23Å; F680-L684 HydrophobicContact CE1-CD1 3.75Å; F680-L684 HydrophobicContact CE1-CD2 4.48Å; F680-L684 HydrophobicContact CE1-CG 4.15Å; F680-L684 WeakPolarHBondContact O-CG 3.45Å; F680-L684 PolarHBondContact O-N 3.28Å; L681-L684 PolarHBondContact O-N 3.32Å; N682-L684 PolarHBondContact O-N 2.75Å; L684-A687 PolarHBondContact O-N 3.23Å; L684-A688 WeakPolarHBondContact O-CB 3.38Å; L684-A688 PolarHBondContact O-N 3.12Å
685	A	87.6	Confident	83.2	Confident	48 Å²	48	106 Å²	106	40%	0.397	55%	0.548	S	S	.	.	H	α-helix	trans	-63.4	-44	175.8	0	0	0	0	0	111.8	L681 N682 A688 L689	L681-A685 WeakPolarHBondContact O-CB 3.29Å; L681-A685 PolarHBondContact O-N 3.43Å; N682-A685 PolarHBondContact O-N 3.31Å; A685-A688 PolarHBondContact O-N 2.9Å; A685-L689 WeakPolarHBondContact O-CB 3.44Å; A685-L689 WeakPolarHBondContact O-CG 3.36Å; A685-L689 PolarHBondContact O-N 3.49Å
686	F	87.5	Confident	81.7	Confident	152 Å²	152	114.7 Å²	114.7	67%	0.667	57%	0.569	S	S	*	*	H	α-helix	trans	-64.1	-42	174.1	-93.7	-80.4	0	0	0	112.5	N682 V683 A688 L689 Y690	N682-F686 WeakPolarHBondContact O-CD2 3.16Å; N682-F686 PolarHBondContact O-N 3.22Å; V683-F686 PolarHBondContact O-N 3.23Å; F686-A688 PolarHBondContact O-N 3.4Å; F686-L689 PolarHBondContact O-N 2.97Å; F686-Y690 WeakPolarHBondContact O-CB 3.43Å; F686-Y690 PolarHBondContact O-N 3.48Å
687	A	86.3	Confident	80.3	Confident	56 Å²	56	121.3 Å²	121.3	46%	0.463	58%	0.581	S	S	.	*	H	α-helix	trans	-62.1	-42.3	175.3	0	0	0	0	0	111.9	V683 L684 Y690 Y691	V683-A687 WeakPolarHBondContact O-CB 3.33Å; V683-A687 PolarHBondContact O-N 3.29Å; L684-A687 PolarHBondContact O-N 3.23Å; A687-Y690 PolarHBondContact O-N 3.3Å; A687-Y691 WeakPolarHBondContact O-CB 3Å; A687-Y691 PolarHBondContact O-N 3.03Å
688	A	82.3	Confident	78.5	Confident	59 Å²	59	124.5 Å²	124.5	49%	0.488	59%	0.588	S	S	.	*	H	α-helix	trans	-65.4	-39.8	176.4	0	0	0	0	0	112.6	L684 A685 F686 R692	L684-A688 WeakPolarHBondContact O-CB 3.38Å; L684-A688 PolarHBondContact O-N 3.12Å; A685-A688 PolarHBondContact O-N 2.9Å; F686-A688 PolarHBondContact O-N 3.4Å; A688-R692 WeakPolarHBondContact O-CB 3.37Å; A688-R692 PolarHBondContact O-N 2.99Å
689	L	81.5	Confident	76.3	Confident	109 Å²	109	128 Å²	128	57%	0.571	60%	0.602	S	S	*	*	H	α-helix	trans	-66.7	-41.5	173.9	-74.7	171.1	0	0	0	112	A685 F686 R692 K693	A685-L689 WeakPolarHBondContact O-CB 3.44Å; A685-L689 WeakPolarHBondContact O-CG 3.36Å; A685-L689 PolarHBondContact O-N 3.49Å; F686-L689 PolarHBondContact O-N 2.97Å; L689-R692 PolarHBondContact O-N 3.24Å; L689-K693 WeakPolarHBondContact O-CB 3.23Å; L689-K693 PolarHBondContact O-N 3.16Å
690	Y	82	Confident	74	Confident	172 Å²	172	127.9 Å²	127.9	68%	0.675	61%	0.609	S	S	*	*	H	α-helix	trans	-62.2	-46.8	175.7	-170.3	-89.1	0	0	0	111.1	F686 A687 R692 K693 D694	F686-Y690 WeakPolarHBondContact O-CB 3.43Å; F686-Y690 PolarHBondContact O-N 3.48Å; A687-Y690 PolarHBondContact O-N 3.3Å; Y690-R692 PolarHBondContact O-N 3.19Å; Y690-K693 WeakPolarHBondContact O-CB 3.42Å; Y690-K693 PolarHBondContact O-N 3.12Å; Y690-K693 VanDerWaalsContact O-N 3.08Å; Y690-D694 PolarHBondContact O-N 3.22Å
691	Y	77	Confident	71.9	Confident	165 Å²	165	128.9 Å²	128.9	65%	0.647	62%	0.62	S	S	*	*	H	α-helix	trans	-63.3	-38.7	176.7	-165.9	-99	0	0	0	112.5	A687 K693 D694 K695	A687-Y691 WeakPolarHBondContact O-CB 3Å; A687-Y691 PolarHBondContact O-N 3.03Å; Y691-K693 VanDerWaalsContact C-N 3.32Å; Y691-K693 PolarHBondContact O-N 2.87Å; Y691-D694 PolarHBondContact O-N 2.91Å; Y691-K695 WeakPolarHBondContact O-CB 3.34Å; Y691-K695 PolarHBondContact O-N 3.1Å
692	R	75.9	Confident	69	Low	192 Å²	192	135.3 Å²	135.3	73%	0.725	64%	0.636	S	S	*	*	H	α-helix	trans	-63.1	-35.4	171.2	-103.3	-177	165.5	-174.5	-3.1	112.9	A688 L689 Y690 R696	A688-R692 WeakPolarHBondContact O-CB 3.37Å; A688-R692 PolarHBondContact O-N 2.99Å; L689-R692 PolarHBondContact O-N 3.24Å; Y690-R692 PolarHBondContact O-N 3.19Å; R692-R696 PolarHBondContact O-N 3.09Å
693	K	73.6	Confident	66.9	Low	140 Å²	140	138.4 Å²	138.4	61%	0.609	65%	0.647	S	S	*	*	H	α-helix	trans	-73.1	-39.6	178	-172.8	176.8	-179	177.3	0	111.8	L689 Y690 Y691 R696	L689-K693 WeakPolarHBondContact O-CB 3.23Å; L689-K693 PolarHBondContact O-N 3.16Å; Y690-K693 WeakPolarHBondContact O-CB 3.42Å; Y690-K693 PolarHBondContact O-N 3.12Å; Y690-K693 VanDerWaalsContact O-N 3.08Å; Y691-K693 VanDerWaalsContact C-N 3.32Å; Y691-K693 PolarHBondContact O-N 2.87Å; K693-R696 PolarHBondContact O-N 3.12Å
694	D	70.3	Confident	64.2	Low	63 Å²	63	140.3 Å²	140.3	34%	0.337	66%	0.661	S	S	.	*	H	α-helix	trans	-70.3	-41.3	177.9	-164.5	57.1	0	0	0	112.1	Y690 Y691 R696 R697 Q698	Y690-D694 PolarHBondContact O-N 3.22Å; Y691-D694 PolarHBondContact O-N 2.91Å; D694-R696 PolarHBondContact O-N 2.96Å; D694-R696 VanDerWaalsContact O-N 3.15Å; D694-R697 WeakPolarHBondContact O-CA 3.41Å; D694-R697 WeakPolarHBondContact O-CB 3.3Å; D694-R697 PolarHBondContact O-N 3.35Å; D694-Q698 PolarHBondContact OD2-NE2 2.7Å
695	K	62	Low	61.4	Low	151 Å²	151	140.9 Å²	140.9	66%	0.657	67%	0.673	S	S	*	*	H	α-helix	trans	-60.6	-26.4	174.5	-164	172.8	-175.4	177.3	0	113.4	Y691	Y691-K695 WeakPolarHBondContact O-CB 3.34Å; Y691-K695 PolarHBondContact O-N 3.1Å
696	R	57.1	Low	59.1	Low	221 Å²	221	144.6 Å²	144.6	83%	0.834	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-10.3	172	-75.6	-174	178.6	-168.4	0	114.4	R692 K693 D694	R692-R696 PolarHBondContact O-N 3.09Å; K693-R696 PolarHBondContact O-N 3.12Å; D694-R696 PolarHBondContact O-N 2.96Å; D694-R696 VanDerWaalsContact O-N 3.15Å
697	R	56.4	Low	56.5	Low	197 Å²	197	146.9 Å²	146.9	74%	0.743	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	-10.8	174.8	-77.6	-177.6	161.4	-169.4	-7.4	113.7	D694	D694-R697 WeakPolarHBondContact O-CA 3.41Å; D694-R697 WeakPolarHBondContact O-CB 3.3Å; D694-R697 PolarHBondContact O-N 3.35Å
698	Q	49.2	Very low	53.7	Low	139 Å²	139	156.1 Å²	156.1	65%	0.65	73%	0.729	S	S	*	*	S	Bend	trans	-96.9	5.1	-174.8	-65.5	-173	8.1	0	0	115	D694 P700	D694-Q698 PolarHBondContact OD2-NE2 2.7Å; Q698-P700 WeakPolarHBondContact O-CD 3.36Å
699	E	42.7	Very low	51.2	Low	173 Å²	173	156.9 Å²	156.9	81%	0.808	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-87.5	116	168.8	-75	-168.2	145.3	0	0	111
700	P	40.3	Very low	48.8	Very low	120 Å²	120	157.2 Å²	157.2	78%	0.779	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-79.7	150.5	177	-10.6	28.8	0	0	0	112.1	Q698	Q698-P700 WeakPolarHBondContact O-CD 3.36Å
701	L	44.3	Very low	46.2	Very low	159 Å²	159	153 Å²	153	83%	0.832	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-58.4	142	-175.3	-65.4	87.4	0	0	0	114
702	R	30.6	Very low	43.9	Very low	243 Å²	243	149.9 Å²	149.9	92%	0.917	78%	0.779	S	S	*	*			trans	-128.4	109	145.1	-84.8	-172.3	169.5	178	-2.6	110.3
703	Q	38.7	Very low	42.7	Very low	168 Å²	168	146.2 Å²	146.2	79%	0.785	78%	0.78	S	S	*	*			trans	-66.2	156.1	157.5	-73	174.8	-37.6	0	0	109.7
704	P	33.3	Very low	40.6	Very low	127 Å²	127	147.7 Å²	147.7	83%	0.825	79%	0.789	S	S	*	*				-138.5	151.8	117.6	33.9	-21.1	0	0	0	114.8
705	S	30.9	Very low	38.7	Very low	105 Å²	105	152.3 Å²	152.3	73%	0.734	81%	0.812	S	S	*	*			trans	-74.9	165.3	170.9	-41.1	0	0	0	0	111.8
706	P	40.2	Very low	37	Very low	125 Å²	125	149 Å²	149	81%	0.812	82%	0.821	S	S	*	*			trans	-86	150.7	-164.8	33.9	-35.6	0	0	0	114.5
707	Q	31.3	Very low	35.6	Very low	200 Å²	200	143.5 Å²	143.5	94%	0.935	82%	0.823	S	S	*	*			trans	-135.4	156.5	163.1	-88.8	-166.3	-13.2	0	0	112.9
708	R	29.1	Very low	34.1	Very low	250 Å²	250	138.3 Å²	138.3	94%	0.943	82%	0.822	S	S	*	*			trans	-72	134.8	-171	-69.6	166.5	162.1	158.6	-8	113.6
709	G	29.6	Very low	33.8	Very low	76 Å²	76	137 Å²	137	78%	0.784	83%	0.826	S	S	*	*				92.6	142.2	110.3	0	0	0	0	0	120.7
710	A	29.5	Very low	33.4	Very low	116 Å²	116	137 Å²	137	96%	0.959	83%	0.826	S	S	*	*			trans	97.1	124.2	160.4	0	0	0	0	0	118.3
711	G	27.6	Very low	33.1	Very low	84 Å²	84	139.1 Å²	139.1	87%	0.866	83%	0.825	S	S	*	*			trans	134.6	77.7	167.6	0	0	0	0	0	115.8
712	A	29.6	Very low	32.4	Very low	99 Å²	99	139.1 Å²	139.1	82%	0.818	82%	0.821	S	S	*	*			trans	-97.5	-176.4	162.1	0	0	0	0	0	109.2
713	P	50.3	Low	32.3	Very low	115 Å²	115	135.6 Å²	135.6	75%	0.747	82%	0.82	S	S	*	*			cis	-135.9	176.8	-2.4	39.2	-20.3	0	0	0	115.2
714	E	29	Very low	31.8	Very low	170 Å²	170	131.5 Å²	131.5	79%	0.794	82%	0.815	S	S	*	*				176.3	137.2	111.3	-90	-154.1	142	0	0	114.9
715	L	30.7	Very low	31.6	Very low	160 Å²	160	129.8 Å²	129.8	84%	0.838	81%	0.811	S	S	*	*			trans	42.3	126.6	156.9	-74.9	83.6	0	0	0	123.4
716	G	27.1	Very low	31.5	Very low	81 Å²	81	131.9 Å²	131.9	84%	0.835	81%	0.813	S	S	*	*			trans	168.6	95.7	159.5	0	0	0	0	0	114.1
717	A	27.4	Very low	30.9	Very low	107 Å²	107	133.5 Å²	133.5	88%	0.884	81%	0.81	S	S	*	*			trans	-54.8	153.2	-168	0	0	0	0	0	119.5
718	A	25.6	Very low	30.8	Very low	87 Å²	87	132.2 Å²	132.2	72%	0.719	81%	0.809	S	S	*	*			trans	-94.3	-169.8	163	0	0	0	0	0	110.4
719	P	42.9	Very low	30.7	Very low	112 Å²	112	123.6 Å²	123.6	73%	0.727	80%	0.797	S	S	*	*			cis	-113.1	158.4	24.6	8.2	18.1	0	0	0	114.9
720	E	34.4	Very low	31.6	Very low	174 Å²	174	126 Å²	126	81%	0.813	80%	0.799	S	S	*	*				78.2	140.3	61	-127.3	164	-142.5	0	0	110.8
721	E	32.6	Very low	31.5	Very low	164 Å²	164	127.6 Å²	127.6	77%	0.766	80%	0.797	S	S	*	*			cis	-168.2	172.9	47.3	-102.2	-179.1	157.9	0	0	108.1
722	E	30.6	Very low	31.5	Very low	158 Å²	158	131.8 Å²	131.8	74%	0.738	79%	0.794	S	S	*	*			cis	-163	164.5	-23.7	-151.6	-166.1	-176.8	0	0	106.9
723	L	27.6	Very low	31.5	Very low	170 Å²	170	136.2 Å²	136.2	89%	0.89	80%	0.797	S	S	*	*			trans	-148	106.1	169.4	-138.1	166.2	0	0	0	110.3
724	A	28.7	Very low	30.3	Very low	82 Å²	82	139 Å²	139	68%	0.678	80%	0.8	S	S	*	*			trans	-91.1	155.5	-174.5	0	0	0	0	0	113.7
725	A	29.3	Very low	30.1	Very low	91 Å²	91	136.8 Å²	136.8	75%	0.752	80%	0.802	S	S	*	*			trans	-119.3	-160.5	-173.6	0	0	0	0	0	112.6
726	L	28.5	Very low	29.9	Very low	149 Å²	149	138.6 Å²	138.6	78%	0.78	81%	0.806	S	S	*	*			trans	98.4	150.4	168.9	-57.1	164.8	0	0	0	116.2
727	Q	28.3	Very low	29.8	Very low	159 Å²	159	139.6 Å²	139.6	74%	0.743	81%	0.806	S	S	*	*			cis	-174.2	-179.7	-35.1	-127.8	178.8	11.7	0	0	109.4
728	L	28.6	Very low	29.8	Very low	173 Å²	173	137.9 Å²	137.9	91%	0.906	80%	0.8	S	S	*	*			trans	73.4	154.6	171.2	-54.5	122.7	0	0	0	116.2
729	G	26	Very low	30.3	Very low	68 Å²	68	139.9 Å²	139.9	70%	0.701	81%	0.805	S	S	*	*			cis	165.8	146.2	-3.7	0	0	0	0	0	110.1
730	P	49.9	Very low	29.8	Very low	128 Å²	128	139.7 Å²	139.7	83%	0.831	80%	0.804	S	S	*	*			trans	-107.1	152.2	-161.6	38.8	-34.4	0	0	0	117.2
731	T	27.1	Very low	29.5	Very low	148 Å²	148	140 Å²	140	91%	0.908	81%	0.805	S	S	*	*			trans	-150.6	156.3	166.1	41.7	0	0	0	0	114.1
732	H	26.8	Very low	29.2	Very low	173 Å²	173	139.1 Å²	139.1	80%	0.801	81%	0.806	S	S	*	*			trans	-82.5	159.9	-173.7	-84.6	-116.2	0	0	0	116.1
733	H	29.6	Very low	29	Very low	192 Å²	192	138.2 Å²	138.2	89%	0.889	81%	0.811	S	S	*	*			trans	-162.2	166.8	130.9	-101.6	-61.1	0	0	0	112.4
734	E	25.4	Very low	28.9	Very low	174 Å²	174	138 Å²	138	81%	0.813	81%	0.809	S	S	*	*			trans	-112	179.5	-160.1	-65.8	175.7	109.1	0	0	116.1
735	C	24.7	Very low	28.8	Very low	122 Å²	122	144.6 Å²	144.6	82%	0.824	82%	0.817	S	S	*	*			trans	81.9	141.2	169.8	-57.2	0	0	0	0	116.6
736	E	26	Very low	28.6	Very low	198 Å²	198	148.6 Å²	148.6	93%	0.925	83%	0.825	S	S	*	*			cis	-151.4	178.5	1.9	-142.4	171.9	-177.1	0	0	110.4
737	A	26.7	Very low	28.5	Very low	102 Å²	102	147.3 Å²	147.3	84%	0.843	82%	0.823	S	S	*	*			trans	-117.6	139.6	-156.4	0	0	0	0	0	119
738	G	26.8	Very low	28.4	Very low	72 Å²	72	144 Å²	144	74%	0.742	82%	0.823	S	S	*	*			trans	106.8	160.7	142.7	0	0	0	0	0	118.9
739	P	35.6	Very low	28.3	Very low	129 Å²	129	143.6 Å²	143.6	84%	0.838	82%	0.821	S	S	*	*			cis	-130.6	-156.2	-18.8	50.3	-33.7	0	0	0	110
740	P	33.8	Very low	28.5	Very low	107 Å²	107	146.1 Å²	146.1	70%	0.695	83%	0.825	S	S	*	*				-126.3	135.8	-129.7	35	-13.7	0	0	0	116.8
741	H	27.9	Very low	27.3	Very low	181 Å²	181	147.2 Å²	147.2	84%	0.838	82%	0.824	S	S	*	*			trans	-144.1	133.2	159.4	-89.6	-72.9	0	0	0	114.4
742	D	26.1	Very low	27.4	Very low	146 Å²	146	149.5 Å²	149.5	78%	0.781	82%	0.817	S	S	*	*			trans	51.8	117.2	161.2	-58.5	-27.2	0	0	0	122.2	L744	D742-L744 PolarHBondContact O-N 3.48Å; D742-L744 VanDerWaalsContact O-N 3.09Å
743	T	24.9	Very low	27.4	Very low	139 Å²	139	146.8 Å²	146.8	85%	0.853	81%	0.813	S	S	*	*			trans	-61.7	99.7	170	42.4	0	0	0	0	112.6	R745	T743-R745 PolarHBondContact O-N 2.74Å
744	L	26.5	Very low	27.5	Very low	164 Å²	164	144.4 Å²	144.4	86%	0.859	81%	0.806	S	S	*	*			trans	-64.3	110.3	156.9	-82.8	163.7	0	0	0	109.5	D742 L746	D742-L744 PolarHBondContact O-N 3.48Å; D742-L744 VanDerWaalsContact O-N 3.09Å; L744-L746 PolarHBondContact O-N 3.39Å
745	R	25.7	Very low	27.6	Very low	222 Å²	222	141 Å²	141	84%	0.838	80%	0.797	S	S	*	*			trans	-66.5	114.2	163.9	-83.6	-175.6	169.6	-176.1	-2.1	108.6	T743 T747	T743-R745 PolarHBondContact O-N 2.74Å; R745-T747 VanDerWaalsContact C-N 3.34Å; R745-T747 PolarHBondContact O-N 2.79Å
746	L	25.7	Very low	27.9	Very low	175 Å²	175	143.5 Å²	143.5	92%	0.916	80%	0.802	S	S	*	*			trans	-65.8	97.9	155.1	-84.6	92.8	0	0	0	108.4	L744	L744-L746 PolarHBondContact O-N 3.39Å
747	T	26.9	Very low	28.8	Very low	121 Å²	121	141.8 Å²	141.8	74%	0.742	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-81.5	118.4	159.1	44.1	0	0	0	0	108.5	R745	R745-T747 VanDerWaalsContact C-N 3.34Å; R745-T747 PolarHBondContact O-N 2.79Å
748	A	25.9	Very low	29.6	Very low	90 Å²	90	143.2 Å²	143.2	74%	0.744	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-59.2	153.9	173.6	0	0	0	0	0	111.5
749	L	25.7	Very low	30.5	Very low	165 Å²	165	140.8 Å²	140.8	86%	0.864	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-58.4	134.4	170.4	-75	90.2	0	0	0	109.8	D751	L749-D751 PolarHBondContact O-N 3.17Å
750	P	30.4	Very low	31.1	Very low	120 Å²	120	135.7 Å²	135.7	78%	0.779	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-72.7	126.4	168.8	-11.6	27.1	0	0	0	110.2
751	D	24.2	Very low	31.8	Very low	152 Å²	152	133.6 Å²	133.6	81%	0.813	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-60.6	136.7	170	-85.6	-51.7	0	0	0	111.4	L749 T753	L749-D751 PolarHBondContact O-N 3.17Å; D751-T753 VanDerWaalsContact C-N 3.27Å; D751-T753 PolarHBondContact O-N 2.57Å
752	Y	29.9	Very low	32.5	Very low	195 Å²	195	129.9 Å²	129.9	77%	0.765	68%	0.678	S	S	*	*			trans	-75.2	70.9	-173.1	-125.5	-92.3	0	0	0	112.3	L754	Y752-L754 PolarHBondContact O-N 3.02Å
753	T	26.3	Very low	33.7	Very low	117 Å²	117	124.5 Å²	124.5	72%	0.718	65%	0.649	S	S	*	*			trans	-85.2	108.3	165.7	52.2	0	0	0	0	109.9	D751 T755	D751-T753 VanDerWaalsContact C-N 3.27Å; D751-T753 PolarHBondContact O-N 2.57Å; T753-T755 PolarHBondContact O-N 3.47Å
754	L	33.3	Very low	34.4	Very low	142 Å²	142	121 Å²	121	74%	0.743	63%	0.628	S	S	*	*			trans	-61	94	169.5	-78.6	159.1	0	0	0	109.8	Y752	Y752-L754 PolarHBondContact O-N 3.02Å
755	T	26.4	Very low	35.2	Very low	102 Å²	102	116.4 Å²	116.4	63%	0.626	61%	0.605	S	S	*	*			trans	-62.8	142.2	161.9	47.8	0	0	0	0	109	T753 R757	T753-T755 PolarHBondContact O-N 3.47Å; T755-R757 PolarHBondContact O-N 3.21Å
756	L	32.3	Very low	35.8	Very low	174 Å²	174	111.8 Å²	111.8	91%	0.911	59%	0.594	S	S	*	*			trans	-69.7	81.8	177.1	-81.9	85.4	0	0	0	110.2	R758	L756-R758 PolarHBondContact O-N 3.38Å
757	R	43.4	Very low	36.1	Very low	162 Å²	162	107.9 Å²	107.9	61%	0.611	58%	0.577	S	S	*	*			trans	-67.3	112.7	160.6	-69.9	-179.7	170.9	176	-2.6	107.2	T755 S759	T755-R757 PolarHBondContact O-N 3.21Å; R757-S759 PolarHBondContact O-N 2.91Å
758	R	44.4	Very low	36.4	Very low	133 Å²	133	107.4 Å²	107.4	50%	0.502	58%	0.576	S	S	.	*			trans	-59.3	132.6	166.8	-70.3	-177.2	-178.8	160.6	0.6	108.6	K432 L756 D762	K432-R758 PolarHBondContact NZ-O 2.63Å; K432-R758 VanDerWaalsContact NZ-O 3.11Å; L756-R758 PolarHBondContact O-N 3.38Å; R758-D762 HydrophobicContact CB-CB 4.29Å
759	S	46	Very low	36.8	Very low	21 Å²	21	110.1 Å²	110.1	15%	0.147	58%	0.578	C	S	.	*			trans	-63.2	152.8	165.9	-173.4	0	0	0	0	109	R757 D761 D762	R757-S759 PolarHBondContact O-N 2.91Å; S759-D761 PolarHBondContact O-N 3.16Å; S759-D761 VanDerWaalsContact O-N 3.12Å; S759-D761 VanDerWaalsContact OG-CG 3.3Å; S759-D761 PolarHBondContact OG-N 3.19Å; S759-D761 PolarHBondContact OG-OD2 3.02Å; S759-D762 WeakPolarHBondContact CB-OD2 3.3Å; S759-D762 PolarHBondContact N-OD2 3.01Å; S759-D762 PolarHBondContact O-N 3.47Å
760	P	47.6	Very low	37.3	Very low	22 Å²	22	106.1 Å²	106.1	14%	0.143	56%	0.561	C	S	.	*	G	3₁₀ helix	trans	-53.8	-23	162.3	-24.3	35	0	0	0	113.1	K432 A436	K432-P760 HydrophobicContact CB-CG 4.3Å; A436-P760 HydrophobicContact CB-CB 4.35Å
761	D	47.6	Very low	37.4	Very low	63 Å²	63	106.8 Å²	106.8	34%	0.337	56%	0.557	S	S	.	*	G	3₁₀ helix	trans	-73.4	-25	173.2	-44.4	-53.1	0	0	0	113.4	Y467 R577 S759	Y467-D761 WeakPolarHBondContact CE1-OD2 3.48Å; Y467-D761 VanDerWaalsContact OH-CG 3.27Å; Y467-D761 PolarHBondContact OH-OD1 3.25Å; Y467-D761 PolarHBondContact OH-OD2 2.86Å; R577-D761 WeakPolarHBondContact CD-OD1 3.43Å; R577-D761 WeakPolarHBondContact CG-OD1 3.05Å; R577-D761 IonicContact CZ-OD1 2.79Å; R577-D761 IonicContact NE-OD1 3.83Å; R577-D761 IonicContact NH1-OD1 3.27Å; R577-D761 PolarHBondContact NH1-OD1 3.05Å; S759-D761 PolarHBondContact O-N 3.16Å; S759-D761 VanDerWaalsContact O-N 3.12Å; S759-D761 VanDerWaalsContact OG-CG 3.3Å; S759-D761 PolarHBondContact OG-N 3.19Å; S759-D761 PolarHBondContact OG-OD2 3.02Å
762	D	44.3	Very low	37.7	Very low	103 Å²	103	105.2 Å²	105.2	55%	0.551	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-94.6	7.2	-175.6	-59.7	-50.2	0	0	0	112.8	R758 S759 P764	R758-D762 HydrophobicContact CB-CB 4.29Å; S759-D762 WeakPolarHBondContact CB-OD2 3.3Å; S759-D762 PolarHBondContact N-OD2 3.01Å; S759-D762 PolarHBondContact O-N 3.47Å; D762-P764 VanDerWaalsContact O-CD 3.25Å; D762-P764 WeakPolarHBondContact O-CD 3.48Å
763	I	51	Low	37.7	Very low	32 Å²	32	103.7 Å²	103.7	16%	0.164	55%	0.554	C	S	.	*			trans	-70.4	112.7	178.3	-67.9	174.2	0	0	0	108.8	D420 T429 T433 L765	D420-I763 HydrophobicContact CB-CG2 3.83Å; D420-I763 VanDerWaalsContact CG-CG2 3.48Å; T429-I763 HydrophobicContact CG2-CD1 4.5Å; T433-I763 HydrophobicContact CG2-CD1 3.62Å; I763-L765 PolarHBondContact O-N 3.48Å
764	P	38.7	Very low	37.8	Very low	65 Å²	65	105.7 Å²	105.7	42%	0.422	56%	0.559	S	S	.	*			trans	-76	104.4	-173.7	30.9	-32.8	0	0	0	110.4	A422 D762	A422-P764 HydrophobicContact CB-CG 4.16Å; D762-P764 VanDerWaalsContact O-CD 3.25Å; D762-P764 WeakPolarHBondContact O-CD 3.48Å
765	L	43.7	Very low	37.6	Very low	69 Å²	69	103.5 Å²	103.5	36%	0.361	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-63.4	145	164.8	-66.7	171.3	0	0	0	109.6	T579 I763 T767	T579-L765 HydrophobicContact CG2-CD1 3.71Å; I763-L765 PolarHBondContact O-N 3.48Å; L765-T767 PolarHBondContact O-N 2.86Å
766	M	37.6	Very low	37.8	Very low	125 Å²	125	106.1 Å²	106.1	62%	0.616	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-56.6	136.3	-179.6	-70.8	-150.9	-176.4	0	0	111.1	W421 T770	W421-M766 HydrophobicContact CB-CE 4.3Å; M766-T770 HydrophobicContact SD-CG2 3.78Å
767	T	32.2	Very low	37.7	Very low	92 Å²	92	103.8 Å²	103.8	56%	0.564	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-64.3	152.6	175.7	55.1	0	0	0	0	110.5	L765 N769 T770	L765-T767 PolarHBondContact O-N 2.86Å; T767-N769 PolarHBondContact O-N 2.51Å; T767-T770 PolarHBondContact O-N 2.91Å; T767-T770 PolarHBondContact O-OG1 3.35Å
768	P	34.2	Very low	37.2	Very low	111 Å²	111	104 Å²	104	72%	0.721	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-55.2	-20.1	-174.8	-29	36	0	0	0	115.5	T770	P768-T770 PolarHBondContact O-N 2.8Å
769	N	34.3	Very low	36.5	Very low	147 Å²	147	105 Å²	105	79%	0.786	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-73.2	-7.6	-176.5	-65.3	-10.7	0	0	0	114.6	T767	T767-N769 PolarHBondContact O-N 2.51Å
770	T	35.3	Very low	35.6	Very low	81 Å²	81	107.7 Å²	107.7	50%	0.497	63%	0.626	S	S	.	*	G	3₁₀ helix	trans	-90.8	-6	178.9	-30.8	0	0	0	0	113.5	M766 T767 P768 T772	M766-T770 HydrophobicContact SD-CG2 3.78Å; T767-T770 PolarHBondContact O-N 2.91Å; T767-T770 PolarHBondContact O-OG1 3.35Å; P768-T770 PolarHBondContact O-N 2.8Å; T770-T772 PolarHBondContact O-N 2.89Å; T770-T772 VanDerWaalsContact O-N 3.12Å
771	I	33.8	Very low	34.6	Very low	135 Å²	135	114.5 Å²	114.5	69%	0.692	66%	0.66	S	S	*	*			trans	-87.5	73.8	177.4	-52.1	179.6	0	0	0	110.1	M773	I771-M773 VanDerWaalsContact C-N 3.34Å; I771-M773 HydrophobicContact CG2-CG 3.96Å; I771-M773 PolarHBondContact O-N 3.3Å
772	T	29.5	Very low	33.6	Very low	118 Å²	118	120.5 Å²	120.5	72%	0.724	69%	0.686	S	S	*	*			trans	-81.7	83.7	161.7	51.8	0	0	0	0	109.8	T770 I774	T770-T772 PolarHBondContact O-N 2.89Å; T770-T772 VanDerWaalsContact O-N 3.12Å; T772-I774 PolarHBondContact O-N 3.4Å
773	M	29.3	Very low	32.9	Very low	164 Å²	164	122 Å²	122	81%	0.808	70%	0.699	S	S	*	*			trans	-59.4	120.9	160.2	-75	-83.4	-84.3	0	0	108.4	I771 P775	I771-M773 VanDerWaalsContact C-N 3.34Å; I771-M773 HydrophobicContact CG2-CG 3.96Å; I771-M773 PolarHBondContact O-N 3.3Å; M773-P775 WeakPolarHBondContact O-CD 3.34Å
774	I	28.7	Very low	31.8	Very low	159 Å²	159	128.9 Å²	128.9	82%	0.815	74%	0.735	S	S	*	*			trans	-99.9	100.3	171.6	-57.5	176.1	0	0	0	108.1	T772	T772-I774 PolarHBondContact O-N 3.4Å
775	P	29.9	Very low	31.3	Very low	95 Å²	95	134.2 Å²	134.2	62%	0.617	75%	0.754	S	S	*	*			trans	-83.4	155.4	166.9	33.8	-33.6	0	0	0	111.3	M773	M773-P775 WeakPolarHBondContact O-CD 3.34Å
776	N	31.2	Very low	31.2	Very low	157 Å²	157	136 Å²	136	84%	0.84	77%	0.77	S	S	*	*			trans	88.4	89.9	167.1	-52.6	-28.5	0	0	0	118.7
777	S	29.6	Very low	30.7	Very low	125 Å²	125	141.5 Å²	141.5	87%	0.874	79%	0.785	S	S	*	*			trans	-152.3	57.4	144.8	57.2	0	0	0	0	112.9
778	L	31.6	Very low	30.5	Very low	167 Å²	167	144.3 Å²	144.3	87%	0.874	80%	0.797	S	S	*	*			trans	-131.5	72	171.3	-104.9	171.4	0	0	0	112.1
779	V	30.3	Very low	30.2	Very low	153 Å²	153	146 Å²	146	93%	0.927	81%	0.805	S	S	*	*			trans	-140.4	123.2	161.1	-176.8	0	0	0	0	108
780	G	28	Very low	29.8	Very low	78 Å²	78	148.8 Å²	148.8	80%	0.804	81%	0.811	S	S	*	*			trans	113.2	62.8	169.3	0	0	0	0	0	116.4
781	L	25.2	Very low	29.4	Very low	166 Å²	166	148.9 Å²	148.9	87%	0.869	82%	0.82	S	S	*	*			trans	-108.6	106.7	156.8	-101.7	163.8	0	0	0	108.9
782	Q	27.9	Very low	29.2	Very low	189 Å²	189	147.5 Å²	147.5	88%	0.883	83%	0.829	S	S	*	*			trans	-96.8	145.7	162.9	-100	-174.8	-21.1	0	0	110.2
783	T	30	Very low	29.1	Very low	133 Å²	133	145.1 Å²	145.1	82%	0.816	83%	0.827	S	S	*	*			trans	-65.6	144.5	-170.9	50.3	0	0	0	0	114.6
784	L	27.4	Very low	29.2	Very low	178 Å²	178	147.1 Å²	147.1	93%	0.932	83%	0.832	S	S	*	*			trans	-148.2	147.3	147.4	-104	168.4	0	0	0	111.1
785	H	28.5	Very low	29.1	Very low	177 Å²	177	147.1 Å²	147.1	82%	0.819	83%	0.834	S	S	*	*			trans	-88.2	166.3	-168.4	-92.1	-71.8	0	0	0	114.1
786	P	40.8	Very low	29.2	Very low	105 Å²	105	147.2 Å²	147.2	68%	0.682	84%	0.837	S	S	*	*			trans	-89.9	147.3	-170.8	35.4	-35.1	0	0	0	114
787	Y	27.1	Very low	29.2	Very low	241 Å²	241	146.9 Å²	146.9	95%	0.945	84%	0.841	S	S	*	*			trans	-150.7	141.5	160	-102.2	-79.1	0	0	0	112.4
788	N	28.3	Very low	29.1	Very low	151 Å²	151	144.3 Å²	144.3	81%	0.807	83%	0.833	S	S	*	*			trans	-78.2	149.8	172.5	-75	-40.6	0	0	0	112
789	T	27.1	Very low	28.9	Very low	146 Å²	146	144.4 Å²	144.4	90%	0.896	83%	0.834	S	S	*	*				-173.8	146.1	121.5	25.1	0	0	0	0	113.9
790	F	25.8	Very low	29.7	Very low	206 Å²	206	141.2 Å²	141.2	90%	0.904	82%	0.816	S	S	*	*			trans	-75.5	172.8	164	-88.4	-103	0	0	0	110.5
791	A	27.3	Very low	29.9	Very low	84 Å²	84	146.2 Å²	146.2	69%	0.694	82%	0.818	S	S	*	*			cis	-163.8	166	26.9	0	0	0	0	0	115.3
792	A	30.3	Very low	30.1	Very low	106 Å²	106	142.4 Å²	142.4	88%	0.876	81%	0.805	S	S	*	*			trans	66.6	150.4	143.6	0	0	0	0	0	121.1
793	G	26.8	Very low	30.2	Very low	67 Å²	67	141.7 Å²	141.7	69%	0.691	80%	0.802	S	S	*	*			cis	-178.2	147.1	-5.2	0	0	0	0	0	115.6
794	F	32.3	Very low	30.1	Very low	207 Å²	207	139.7 Å²	139.7	91%	0.908	79%	0.793	S	S	*	*			trans	10.5	152.3	140.5	-80.1	-88.9	0	0	0	123.2
795	N	24.9	Very low	30.4	Very low	159 Å²	159	136.8 Å²	136.8	85%	0.85	78%	0.783	S	S	*	*			trans	-144.6	146.6	145	-154	-1.7	0	0	0	111.8
796	S	32	Very low	30.7	Very low	97 Å²	97	134.5 Å²	134.5	68%	0.678	78%	0.782	S	S	*	*			trans	-153.4	136.4	-174.1	56.7	0	0	0	0	112.1
797	T	31.3	Very low	30.6	Very low	150 Å²	150	144.8 Å²	144.8	92%	0.92	81%	0.807	S	S	*	*			trans	-95.1	140.9	166.4	50.4	0	0	0	0	110.1
798	G	29.2	Very low	30.7	Very low	70 Å²	70	140 Å²	140	72%	0.722	80%	0.8	S	S	*	*			cis	146.1	122.5	-4.9	0	0	0	0	0	111.4
799	L	26.9	Very low	30.9	Very low	169 Å²	169	139.4 Å²	139.4	89%	0.885	80%	0.8	S	S	*	*			trans	-171.2	150.7	161.2	-97.3	172.3	0	0	0	107.3
800	P	46.7	Very low	31.1	Very low	86 Å²	86	139.1 Å²	139.1	56%	0.558	79%	0.794	S	S	*	*				-143.2	172.3	-106	44.4	-28.6	0	0	0	119.1
801	H	31.5	Very low	31.4	Very low	183 Å²	183	135.1 Å²	135.1	85%	0.847	79%	0.788	S	S	*	*			trans	73.7	146	158.1	-52.4	-44	0	0	0	117.9
802	S	29.8	Very low	31.6	Very low	86 Å²	86	138.3 Å²	138.3	60%	0.601	79%	0.794	S	S	*	*			cis	-144	170.6	19.8	53	0	0	0	0	115.5
803	H	30.5	Very low	31.7	Very low	175 Å²	175	140.5 Å²	140.5	81%	0.81	79%	0.788	S	S	*	*			trans	75.7	148.8	172.1	-46.7	-78.1	0	0	0	118.7
804	S	28.8	Very low	32.1	Very low	90 Å²	90	145.7 Å²	145.7	63%	0.629	80%	0.795	S	S	*	*			cis	-168.7	132.5	-39.6	-166.1	0	0	0	0	108.4
805	T	33.1	Very low	32.1	Very low	117 Å²	117	141 Å²	141	72%	0.718	79%	0.787	S	S	*	*			trans	36.5	130.2	146.8	57.9	0	0	0	0	119.7
806	T	34.5	Very low	32.7	Very low	130 Å²	130	139.5 Å²	139.5	80%	0.798	78%	0.782	S	S	*	*			cis	-171.7	146.4	35.8	-17.7	0	0	0	0	111.9
807	R	37.9	Very low	32.7	Very low	321 Å²	321	143.4 Å²	143.4	100%	1.211	79%	0.791	S	S	*	*			trans	64.7	0	168.7	-97.7	-173.7	178.6	-175	0	118.3

Retrieved 807 of 807 residues in 275.9 ms (Link to these results)

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