NLGN3_HUMAN Loading...

Neuroligin-3

Cell surface protein involved in cell-cell-interactions via its interactions with neurexin family members. Plays a role in synapse function and synaptic signal transmission, and may mediate its effects by clustering other synaptic proteins. May promote the initial formation of synapses, but is not essential for this. May also play a role in glia-glia or glia-neuron interactions in the developing peripheral nervous system (By similarity).

AlphaFold DB , UniProt , Accession Q9NZ94, Species HUMAN (Homo sapiens, Human), Gene NLGN3, Length 848 aa.

						>NLGN3_HUMAN|Q9NZ94|NLGN3
MWLRLGPPSLSLSPKPTVGRSLCLTLWFLSLALRASTQAPAPTVNTHFGKLRGARVPLPSEILGPVDQYLGVPYAAPPIGEKRFLPPEPPPSWSGIRNATHFPPVCPQNIHTAVPEVMLPVWFTANLDIVATYIQEPNEDCLYLNVYVPTEDVKRISKECARKPNKKICRKGGSGAKKQGEDLADNDGDEDEDIRDSGAKPVMVYIHGGSYMEGTGNMIDGSILASYGNVIVITLNYRVGVLGFLSTGDQAAKGNYGLLDQIQALRWVSENIAFFGGDPRRITVFGSGIGASCVSLLTLSHHSEGLFQRAIIQSGSALSSWAVNYQPVKYTSLLADKVGCNVLDTVDMVDCLRQKSAKELVEQDIQPARYHVAFGPVIDGDVIPDDPEILMEQGEFLNYDIMLGVNQGEGLKFVEGVVDPEDGVSGTDFDYSVSNFVDNLYGYPEGKDTLRETIKFMYTDWADRDNPETRRKTLVALFTDHQWVEPSVVTADLHARYGSPTYFYAFYHHCQSLMKPAWSDAAHGDEVPYVFGVPMVGPTDLFPCNFSKNDVMLSAVVMTYWTNFAKTGDPNKPVPQDTKFIHTKANRFEEVAWSKYNPRDQLYLHIGLKPRVRDHYRATKVAFWKHLVPHLYNLHDMFHYTSTTTKVPPPDTTHSSHITRRPNGKTWSTKRPAISPAYSNENAQGSWNGDQDAGPLLVENPRDYSTELSVTIAVGASLLFLNVLAFAALYYRKDKRRQEPLRQPSPQRGAGAPELGAAPEEELAALQLGPTHHECEAGPPHDTLRLTALPDYTLTLRRSPDDIPLMTPNTITMIPNSLVGLQTLHPYNTFAAGFNSTGLPHSHSTTRV
					

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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	44.1	Very low	42.1	Very low	231 Å²	231	155.8 Å²	155.8	100%	1.138	84%	0.841	S	S	*	*				0	77	0	-165.7	167.8	173.5	0	0	106.1
2	W	33.4	Very low	42.1	Very low	229 Å²	229	156.3 Å²	156.3	87%	0.867	84%	0.841	S	S	*	*				48	115.2	90.4	-68	79.3	0	0	0	109.8
3	L	40.5	Very low	42.8	Very low	150 Å²	150	153.1 Å²	153.1	79%	0.785	84%	0.838	S	S	*	*			cis	-168.1	157.2	41.3	-93.9	128.3	0	0	0	112.4
4	R	38.4	Very low	43.3	Very low	231 Å²	231	149.5 Å²	149.5	87%	0.872	83%	0.826	S	S	*	*			trans	-58.7	161.3	162.3	-64.4	174.4	169.6	-167.2	-3.7	112.5
5	L	46.6	Very low	43.7	Very low	175 Å²	175	152.1 Å²	152.1	92%	0.916	83%	0.826	S	S	*	*				-175.9	135.9	124.9	-93.7	154.7	0	0	0	111.4
6	G	37.9	Very low	44	Very low	67 Å²	67	149.3 Å²	149.3	69%	0.691	82%	0.818	S	S	*	*			trans	-88.5	-173.9	-174.5	0	0	0	0	0	115.5
7	P	54.7	Low	44.4	Very low	127 Å²	127	147.8 Å²	147.8	83%	0.825	81%	0.814	S	S	*	*			trans	-103.8	179.1	-148.9	40.2	-35.4	0	0	0	114.7
8	P	44.4	Very low	44.7	Very low	128 Å²	128	145.2 Å²	145.2	83%	0.831	80%	0.803	S	S	*	*			trans	-129.5	147.9	147.3	34.6	-20.1	0	0	0	114
9	S	39.2	Very low	44.8	Very low	110 Å²	110	140.1 Å²	140.1	77%	0.769	79%	0.787	S	S	*	*			trans	-81.4	150.1	176.3	47.3	0	0	0	0	113.9
10	L	44	Very low	45.1	Very low	174 Å²	174	143.8 Å²	143.8	91%	0.911	79%	0.788	S	S	*	*			trans	173.8	110.8	149	-90.2	150.3	0	0	0	106.5
11	S	39.6	Very low	45.4	Very low	92 Å²	92	140.3 Å²	140.3	64%	0.643	77%	0.774	S	S	*	*				101.1	108.1	63	165.3	0	0	0	0	113.7
12	L	42.6	Very low	45.9	Very low	161 Å²	161	134.2 Å²	134.2	84%	0.843	75%	0.746	S	S	*	*			trans	64.9	131.9	155.9	-77.5	85	0	0	0	119.1
13	S	50.9	Low	47	Very low	115 Å²	115	127.4 Å²	127.4	80%	0.804	73%	0.732	S	S	*	*				-164.9	164.5	52.6	-157.7	0	0	0	0	111.7
14	P	50.3	Low	48	Very low	103 Å²	103	125.1 Å²	125.1	67%	0.669	72%	0.72	S	S	*	*			trans	-113	167.3	-149	41	-33.1	0	0	0	117.3
15	K	49.4	Very low	49.1	Very low	189 Å²	189	117.5 Å²	117.5	82%	0.822	70%	0.699	S	S	*	*			trans	124.5	145	151.6	-69.4	174.1	-176.8	-179.9	0	113.5
16	P	48.9	Very low	49.9	Very low	107 Å²	107	114.1 Å²	114.1	70%	0.695	68%	0.681	S	S	*	*			cis	-116	140.8	9.1	35.5	-20.5	0	0	0	114.7	V18	P16-V18 PolarHBondContact O-N 3Å
17	T	49.5	Very low	51.2	Low	124 Å²	124	119.5 Å²	119.5	76%	0.761	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	19.6	178.3	29.2	0	0	0	0	115.3
18	V	49.5	Very low	51.5	Low	100 Å²	100	120.2 Å²	120.2	61%	0.606	67%	0.671	S	S	*	*	H	α-helix	trans	-93	-33.8	-176	-177	0	0	0	0	112.5	P16 L22	P16-V18 PolarHBondContact O-N 3Å; V18-L22 PolarHBondContact O-N 3.01Å
19	G	47.6	Very low	52.2	Low	49 Å²	49	119 Å²	119	51%	0.505	66%	0.657	S	S	.	*	H	α-helix	trans	-75.2	-33.1	-177.4	0	0	0	0	0	115	C23	G19-C23 PolarHBondContact O-N 3.47Å
20	R	49.8	Very low	53.1	Low	214 Å²	214	116.3 Å²	116.3	81%	0.808	64%	0.639	S	S	*	*	H	α-helix	trans	-74.1	-33.9	177	-97.7	-179.6	161.6	-179.2	-5.4	112.6	L24	R20-L24 WeakPolarHBondContact O-CB 3.48Å; R20-L24 WeakPolarHBondContact O-CD1 3.48Å; R20-L24 WeakPolarHBondContact O-CG 3.41Å; R20-L24 PolarHBondContact O-N 3.48Å
21	S	52.2	Low	53.7	Low	71 Å²	71	112.7 Å²	112.7	50%	0.497	62%	0.62	S	S	.	*	H	α-helix	trans	-69.3	-39.2	174.9	-154.4	0	0	0	0	110.7	L24 T25	S21-L24 PolarHBondContact O-N 3.5Å; S21-T25 WeakPolarHBondContact O-CB 3.44Å; S21-T25 VanDerWaalsContact O-CG2 3.29Å; S21-T25 WeakPolarHBondContact O-CG2 3.26Å; S21-T25 PolarHBondContact O-N 2.93Å; S21-T25 PolarHBondContact O-OG1 3.45Å
22	L	54.1	Low	54.4	Low	103 Å²	103	111.5 Å²	111.5	54%	0.539	62%	0.615	S	S	.	*	H	α-helix	trans	-66.2	-39.5	174.7	-124.7	88.9	0	0	0	113.1	V18 T25 L26	V18-L22 PolarHBondContact O-N 3.01Å; L22-T25 WeakPolarHBondContact CA-OG1 3.08Å; L22-T25 PolarHBondContact O-OG1 3.18Å; L22-T25 VanDerWaalsContact O-OG1 3.09Å; L22-L26 VanDerWaalsContact O-CB 3.23Å; L22-L26 WeakPolarHBondContact O-CB 3.47Å; L22-L26 WeakPolarHBondContact O-CD1 3.35Å; L22-L26 WeakPolarHBondContact O-CG 3.18Å; L22-L26 PolarHBondContact O-N 3.04Å
23	C	57.7	Low	54.8	Low	85 Å²	85	109.6 Å²	109.6	57%	0.574	61%	0.605	S	S	*	*	H	α-helix	trans	-68.1	-39.2	175.2	-87.9	0	0	0	0	112.2	G19 L26 W27	G19-C23 PolarHBondContact O-N 3.47Å; C23-L26 PolarHBondContact O-N 2.94Å; C23-W27 WeakPolarHBondContact O-CB 3.35Å; C23-W27 PolarHBondContact O-N 3.29Å
24	L	60.1	Low	54.5	Low	102 Å²	102	114.4 Å²	114.4	53%	0.534	61%	0.606	S	S	.	*	H	α-helix	trans	-68.7	-40.2	175.3	-82.5	157.7	0	0	0	111.4	R20 S21 W27 F28	R20-L24 WeakPolarHBondContact O-CB 3.48Å; R20-L24 WeakPolarHBondContact O-CD1 3.48Å; R20-L24 WeakPolarHBondContact O-CG 3.41Å; R20-L24 PolarHBondContact O-N 3.48Å; S21-L24 PolarHBondContact O-N 3.5Å; L24-W27 PolarHBondContact O-N 3.48Å; L24-F28 HydrophobicContact CD2-CE2 4.4Å; L24-F28 WeakPolarHBondContact O-CB 3.25Å; L24-F28 VanDerWaalsContact O-CD2 3.22Å; L24-F28 WeakPolarHBondContact O-CD2 3.13Å; L24-F28 PolarHBondContact O-N 3.38Å
25	T	62.6	Low	53.9	Low	71 Å²	71	113.2 Å²	113.2	44%	0.436	60%	0.604	S	S	.	*	H	α-helix	trans	-69.9	-33.4	175.2	55.9	0	0	0	0	112	S21 L22 L29	S21-T25 WeakPolarHBondContact O-CB 3.44Å; S21-T25 VanDerWaalsContact O-CG2 3.29Å; S21-T25 WeakPolarHBondContact O-CG2 3.26Å; S21-T25 PolarHBondContact O-N 2.93Å; S21-T25 PolarHBondContact O-OG1 3.45Å; L22-T25 WeakPolarHBondContact CA-OG1 3.08Å; L22-T25 PolarHBondContact O-OG1 3.18Å; L22-T25 VanDerWaalsContact O-OG1 3.09Å; T25-L29 VanDerWaalsContact O-CB 3.23Å; T25-L29 WeakPolarHBondContact O-CB 3.48Å; T25-L29 PolarHBondContact O-N 2.92Å
26	L	63.2	Low	53.4	Low	104 Å²	104	108 Å²	108	55%	0.545	59%	0.591	S	S	.	*	H	α-helix	trans	-71.3	-31.9	170.7	-76	163.1	0	0	0	112.4	L22 C23 S30	L22-L26 VanDerWaalsContact O-CB 3.23Å; L22-L26 WeakPolarHBondContact O-CB 3.47Å; L22-L26 WeakPolarHBondContact O-CD1 3.35Å; L22-L26 WeakPolarHBondContact O-CG 3.18Å; L22-L26 PolarHBondContact O-N 3.04Å; C23-L26 PolarHBondContact O-N 2.94Å; L26-S30 VanDerWaalsContact O-CB 3.22Å; L26-S30 WeakPolarHBondContact O-CB 3.32Å; L26-S30 PolarHBondContact O-N 3.3Å; L26-S30 PolarHBondContact O-OG 2.64Å
27	W	64.4	Low	53.1	Low	181 Å²	181	109.1 Å²	109.1	69%	0.686	60%	0.597	S	S	*	*	H	α-helix	trans	-69.1	-45	171	-123.3	79	0	0	0	111.2	C23 L24 S30 L31	C23-W27 WeakPolarHBondContact O-CB 3.35Å; C23-W27 PolarHBondContact O-N 3.29Å; L24-W27 PolarHBondContact O-N 3.48Å; W27-S30 WeakPolarHBondContact CA-OG 3.25Å; W27-S30 PolarHBondContact O-N 3.03Å; W27-S30 PolarHBondContact O-OG 2.72Å; W27-L31 HydrophobicContact CZ3-CD1 4.2Å; W27-L31 VanDerWaalsContact O-CB 3.3Å; W27-L31 WeakPolarHBondContact O-CB 3.11Å; W27-L31 PolarHBondContact O-N 3.36Å
28	F	60.8	Low	53	Low	141 Å²	141	112.4 Å²	112.4	62%	0.618	60%	0.604	S	S	*	*	H	α-helix	trans	-69.4	-34.5	174.6	-84.9	-73	0	0	0	112.2	L24 A32	L24-F28 HydrophobicContact CD2-CE2 4.4Å; L24-F28 WeakPolarHBondContact O-CB 3.25Å; L24-F28 VanDerWaalsContact O-CD2 3.22Å; L24-F28 WeakPolarHBondContact O-CD2 3.13Å; L24-F28 PolarHBondContact O-N 3.38Å; F28-A32 WeakPolarHBondContact O-CB 3.02Å; F28-A32 PolarHBondContact O-N 3.48Å
29	L	60	Low	53.4	Low	103 Å²	103	110.7 Å²	110.7	54%	0.539	60%	0.6	S	S	.	*	H	α-helix	trans	-69.4	-37.1	171.7	-117.4	80.7	0	0	0	111.2	T25 A32 L33	T25-L29 VanDerWaalsContact O-CB 3.23Å; T25-L29 WeakPolarHBondContact O-CB 3.48Å; T25-L29 PolarHBondContact O-N 2.92Å; L29-A32 PolarHBondContact O-N 3.35Å; L29-L33 HydrophobicContact CD2-CD1 4.45Å; L29-L33 HydrophobicContact CG-CD1 4.26Å; L29-L33 WeakPolarHBondContact O-CA 3.42Å; L29-L33 WeakPolarHBondContact O-CB 3.47Å; L29-L33 WeakPolarHBondContact O-CD1 3.33Å; L29-L33 PolarHBondContact O-N 2.56Å
30	S	58.3	Low	54.5	Low	54 Å²	54	114.2 Å²	114.2	38%	0.378	61%	0.614	S	S	.	*	H	α-helix	trans	-75.5	-29	176.3	56.8	0	0	0	0	112.5	L26 W27 R34	L26-S30 VanDerWaalsContact O-CB 3.22Å; L26-S30 WeakPolarHBondContact O-CB 3.32Å; L26-S30 PolarHBondContact O-N 3.3Å; L26-S30 PolarHBondContact O-OG 2.64Å; W27-S30 WeakPolarHBondContact CA-OG 3.25Å; W27-S30 PolarHBondContact O-N 3.03Å; W27-S30 PolarHBondContact O-OG 2.72Å; S30-R34 WeakPolarHBondContact O-CB 3.4Å; S30-R34 WeakPolarHBondContact O-CG 3.27Å; S30-R34 PolarHBondContact O-N 2.92Å
31	L	56.9	Low	56.2	Low	98 Å²	98	106.2 Å²	106.2	51%	0.513	59%	0.593	S	S	.	*	H	α-helix	trans	-73.7	-36.6	169.5	-143.7	79.2	0	0	0	111.4	W27 R34 A35	W27-L31 HydrophobicContact CZ3-CD1 4.2Å; W27-L31 VanDerWaalsContact O-CB 3.3Å; W27-L31 WeakPolarHBondContact O-CB 3.11Å; W27-L31 PolarHBondContact O-N 3.36Å; L31-R34 PolarHBondContact O-N 2.97Å; L31-A35 WeakPolarHBondContact O-CB 3Å; L31-A35 PolarHBondContact O-N 2.71Å
32	A	54.6	Low	58.2	Low	66 Å²	66	103.4 Å²	103.4	55%	0.545	57%	0.574	S	S	.	*	H	α-helix	trans	-77.1	-30.8	175.6	0	0	0	0	0	113.1	F28 L29 A35	F28-A32 WeakPolarHBondContact O-CB 3.02Å; F28-A32 PolarHBondContact O-N 3.48Å; L29-A32 PolarHBondContact O-N 3.35Å; A32-A35 PolarHBondContact O-N 2.82Å
33	L	49.3	Very low	60.1	Low	122 Å²	122	102 Å²	102	64%	0.639	57%	0.569	S	S	*	*	H	α-helix	trans	-77.6	-24.6	169.5	-96.5	78.7	0	0	0	112	L29 S36	L29-L33 HydrophobicContact CD2-CD1 4.45Å; L29-L33 HydrophobicContact CG-CD1 4.26Å; L29-L33 WeakPolarHBondContact O-CA 3.42Å; L29-L33 WeakPolarHBondContact O-CB 3.47Å; L29-L33 WeakPolarHBondContact O-CD1 3.33Å; L29-L33 PolarHBondContact O-N 2.56Å; L33-S36 VanDerWaalsContact O-CB 3.22Å; L33-S36 WeakPolarHBondContact O-CB 3.41Å; L33-S36 PolarHBondContact O-N 3.47Å; L33-S36 PolarHBondContact O-OG 2.77Å
34	R	45.5	Very low	61.9	Low	216 Å²	216	98.7 Å²	98.7	82%	0.815	55%	0.546	S	S	*	.	H	α-helix	trans	-80.3	-19	167.1	-78	178.6	178.3	-166.6	-0.2	113	S30 L31 S36	S30-R34 WeakPolarHBondContact O-CB 3.4Å; S30-R34 WeakPolarHBondContact O-CG 3.27Å; S30-R34 PolarHBondContact O-N 2.92Å; L31-R34 PolarHBondContact O-N 2.97Å; R34-S36 PolarHBondContact O-N 2.63Å
35	A	38.5	Very low	63.7	Low	77 Å²	77	98 Å²	98	64%	0.636	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	17.7	165	0	0	0	0	0	112.6	L31 A32 T37	L31-A35 WeakPolarHBondContact O-CB 3Å; L31-A35 PolarHBondContact O-N 2.71Å; A32-A35 PolarHBondContact O-N 2.82Å; A35-T37 PolarHBondContact O-N 2.65Å
36	S	39	Very low	65.3	Low	79 Å²	79	94.8 Å²	94.8	55%	0.552	52%	0.524	S	S	*	.			trans	-61.3	95.2	172.5	60.6	0	0	0	0	110.7	L33 R34 Q38	L33-S36 VanDerWaalsContact O-CB 3.22Å; L33-S36 WeakPolarHBondContact O-CB 3.41Å; L33-S36 PolarHBondContact O-N 3.47Å; L33-S36 PolarHBondContact O-OG 2.77Å; R34-S36 PolarHBondContact O-N 2.63Å; S36-Q38 PolarHBondContact O-N 2.04Å
37	T	41	Very low	66.8	Low	132 Å²	132	95.6 Å²	95.6	81%	0.81	52%	0.524	S	S	*	.			trans	39.5	65.4	150.4	62.3	0	0	0	0	115	A35 A39	A35-T37 PolarHBondContact O-N 2.65Å; T37-A39 PolarHBondContact O-N 3.28Å
38	Q	48.9	Very low	68.4	Low	193 Å²	193	88.3 Å²	88.3	90%	0.902	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-64.9	116.5	159.6	-139.8	171	13.4	0	0	106.1	S36	S36-Q38 PolarHBondContact O-N 2.04Å
39	A	57.3	Low	70	Confident	63 Å²	63	82.1 Å²	82.1	52%	0.521	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-50.8	139.8	177.7	0	0	0	0	0	109.1	T37 A41	T37-A39 PolarHBondContact O-N 3.28Å; A39-A41 PolarHBondContact O-N 3.44Å; A39-A41 VanDerWaalsContact O-N 3.12Å
40	P	71.1	Confident	71.8	Confident	123 Å²	123	82.2 Å²	82.2	80%	0.799	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-53.4	125	-177.8	19.4	-30	0	0	0	109.6
41	A	84.8	Confident	73.7	Confident	46 Å²	46	79.7 Å²	79.7	38%	0.38	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-58.9	130.8	-177.4	0	0	0	0	0	109.9	A39 T43 R52	A39-A41 PolarHBondContact O-N 3.44Å; A39-A41 VanDerWaalsContact O-N 3.12Å; A41-T43 PolarHBondContact O-N 3.13Å; A41-T43 PolarHBondContact O-OG1 3.43Å; A41-R52 HydrophobicContact CB-CG 3.78Å
42	P	93.3	Very high	75.6	Confident	13 Å²	13	79.4 Å²	79.4	8%	0.084	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-64	132.2	-175.1	30.8	-37.8	0	0	0	109.3	R52 G53 D67 Y69	P42-R52 WeakPolarHBondContact O-CA 3.34Å; P42-G53 PolarHBondContact O-N 3.42Å; P42-D67 HydrophobicContact CB-CB 4.26Å; P42-D67 HydrophobicContact CG-CB 4.03Å; P42-Y69 WeakPolarHBondContact CB-OH 3.32Å
43	T	95.2	Very high	77.7	Confident	72 Å²	72	76.3 Å²	76.3	44%	0.442	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	130.9	-177.3	-55.8	0	0	0	0	109.1	A41 L51 I96	A41-T43 PolarHBondContact O-N 3.13Å; A41-T43 PolarHBondContact O-OG1 3.43Å; T43-L51 CarbonylContact C-O 3.55Å; T43-L51 WeakPolarHBondContact CA-O 3.42Å; T43-L51 VanDerWaalsContact CG2-O 3.31Å; T43-L51 WeakPolarHBondContact CG2-O 3.2Å; T43-I96 HydrophobicContact CG2-CG2 4.5Å
44	V	95.7	Very high	79.9	Confident	16 Å²	16	72 Å²	72	10%	0.097	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	145.8	-179.4	167.2	0	0	0	0	109.5	K50 L51 Y69 F274 F275	V44-K50 CarbonylContact O-C 3.51Å; V44-K50 WeakPolarHBondContact O-CA 3.28Å; V44-L51 PolarHBondContact N-O 2.73Å; V44-L51 PolarHBondContact O-N 3.05Å; V44-Y69 HydrophobicContact CB-CE1 4.13Å; V44-Y69 HydrophobicContact CG2-CE1 4.04Å; V44-Y69 HydrophobicContact CG2-CE2 4.45Å; V44-Y69 WeakPolarHBondContact CG2-OH 3.45Å; V44-F274 HydrophobicContact CG1-CB 3.71Å; V44-F275 HydrophobicContact CB-CD1 4.34Å; V44-F275 HydrophobicContact CB-CE1 4.07Å; V44-F275 HydrophobicContact CB-CZ 4.36Å; V44-F275 HydrophobicContact CG1-CD1 4.06Å; V44-F275 HydrophobicContact CG1-CD2 4.05Å; V44-F275 HydrophobicContact CG1-CE1 3.88Å; V44-F275 HydrophobicContact CG1-CE2 3.86Å; V44-F275 HydrophobicContact CG1-CG 4.15Å; V44-F275 HydrophobicContact CG1-CZ 3.79Å; V44-F275 HydrophobicContact CG2-CD1 4.06Å; V44-F275 HydrophobicContact CG2-CE1 4.24Å
45	N	96.2	Very high	82.3	Confident	87 Å²	87	67.1 Å²	67.1	47%	0.465	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	111.3	177.3	-171.8	57.2	0	0	0	109.4	K50 F274	N45-K50 HydrophobicContact CB-CG 4.34Å; N45-K50 VanDerWaalsContact OD1-CG 3.23Å; N45-K50 WeakPolarHBondContact OD1-CG 3.45Å; N45-F274 WeakPolarHBondContact O-CB 3.41Å; N45-F274 WeakPolarHBondContact O-CD1 3.36Å; N45-F274 WeakPolarHBondContact O-CD2 3.44Å; N45-F274 WeakPolarHBondContact O-CG 3.22Å
46	T	96.7	Very high	84.9	Confident	5 Å²	5	65.6 Å²	65.6	3%	0.031	37%	0.365	C	S	.	.			trans	-90.7	175.9	174.8	73.8	0	0	0	0	110.3	F48 G49 L51 W267 N271 F275	T46-F48 PolarHBondContact O-N 2.94Å; T46-F48 PolarHBondContact OG1-N 3.17Å; T46-G49 PolarHBondContact N-O 2.89Å; T46-G49 PolarHBondContact OG1-N 3.42Å; T46-G49 PolarHBondContact OG1-O 3.22Å; T46-L51 HydrophobicContact CG2-CD1 3.54Å; T46-L51 HydrophobicContact CG2-CG 4.23Å; T46-W267 HydrophobicContact CG2-CZ2 4.17Å; T46-N271 WeakPolarHBondContact CB-OD1 3.27Å; T46-F275 HydrophobicContact CG2-CE2 4.01Å; T46-F275 HydrophobicContact CG2-CZ 4.09Å
47	H	96	Very high	87.4	Confident	121 Å²	121	66.8 Å²	66.8	56%	0.56	37%	0.371	S	S	*	.	S	Bend	trans	-61.6	-23.9	171.5	-75.6	-64.2	0	0	0	113.2	E270 N271 F274	H47-E270 PolarHBondContact CD2-O 3.35Å; H47-E270 PolarHBondContact NE2-O 3.13Å; H47-N271 PolarHBondContact CD2-OD1 2.91Å; H47-N271 PolarHBondContact N-OD1 3.4Å; H47-F274 AromaticContact CD2-CE2 3.56Å; H47-F274 AromaticContact CE1-CZ 3.79Å; H47-F274 AromaticContact NE2-CE2 3.52Å; H47-F274 AromaticContact NE2-CZ 3.63Å
48	F	96.3	Very high	89.8	Confident	28 Å²	28	61.7 Å²	61.7	12%	0.123	34%	0.338	C	S	.	.	S	Bend	trans	-96.8	-22.8	-175.8	-59.2	-82.2	0	0	0	113.8	T46 P89 P90 S92 W93 W267	T46-F48 PolarHBondContact O-N 2.94Å; T46-F48 PolarHBondContact OG1-N 3.17Å; F48-P89 HydrophobicContact CE1-CB 4.39Å; F48-P89 HydrophobicContact CZ-CB 4.49Å; F48-P90 HydrophobicContact CD1-CG 3.8Å; F48-P90 WeakPolarHBondContact CD1-O 3.28Å; F48-P90 HydrophobicContact CD2-CG 4.03Å; F48-P90 HydrophobicContact CE1-CG 3.73Å; F48-P90 VanDerWaalsContact CE1-O 3.28Å; F48-P90 WeakPolarHBondContact CE1-O 3.38Å; F48-P90 HydrophobicContact CE2-CG 3.97Å; F48-P90 HydrophobicContact CG-CG 3.96Å; F48-P90 HydrophobicContact CZ-CG 3.82Å; F48-S92 CarbonylContact O-C 3.6Å; F48-S92 VanDerWaalsContact O-CA 3.24Å; F48-S92 WeakPolarHBondContact O-CA 3.3Å; F48-S92 WeakPolarHBondContact O-CB 3.47Å; F48-W93 HydrophobicContact CB-CE3 4.14Å; F48-W93 HydrophobicContact CB-CH2 3.76Å; F48-W93 HydrophobicContact CB-CZ3 3.51Å; F48-W93 PolarHBondContact O-N 3.48Å; F48-W267 AromaticContact CD2-NE1 3.74Å; F48-W267 AromaticContact CE2-CD1 3.63Å; F48-W267 AromaticContact CE2-NE1 3.78Å
49	G	96.1	Very high	91.4	Very high	11 Å²	11	57.2 Å²	57.2	11%	0.113	33%	0.326	C	S	.	.			trans	159.4	-177.6	177	0	0	0	0	0	113.7	T46	T46-G49 PolarHBondContact N-O 2.89Å; T46-G49 PolarHBondContact OG1-N 3.42Å; T46-G49 PolarHBondContact OG1-O 3.22Å
50	K	97.7	Very high	92.4	Very high	105 Å²	105	55.5 Å²	55.5	46%	0.457	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	137.4	179.6	-63.2	178.3	-177.9	-178.3	0	111.1	V44 N45 W93 I96 R97	V44-K50 CarbonylContact O-C 3.51Å; V44-K50 WeakPolarHBondContact O-CA 3.28Å; N45-K50 HydrophobicContact CB-CG 4.34Å; N45-K50 VanDerWaalsContact OD1-CG 3.23Å; N45-K50 WeakPolarHBondContact OD1-CG 3.45Å; K50-W93 PolarHBondContact O-NE1 3.1Å; K50-I96 HydrophobicContact CB-CB 4.47Å; K50-I96 HydrophobicContact CB-CG1 4.03Å; K50-I96 HydrophobicContact CD-CG1 4.3Å; K50-R97 PolarHBondContact O-N 3.15Å
51	L	97.5	Very high	92.6	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	140.7	175.7	-65.1	170.1	0	0	0	110.1	T43 V44 T46 Y69 V72 W93 R97 A99 F275	T43-L51 CarbonylContact C-O 3.55Å; T43-L51 WeakPolarHBondContact CA-O 3.42Å; T43-L51 VanDerWaalsContact CG2-O 3.31Å; T43-L51 WeakPolarHBondContact CG2-O 3.2Å; V44-L51 PolarHBondContact N-O 2.73Å; V44-L51 PolarHBondContact O-N 3.05Å; T46-L51 HydrophobicContact CG2-CD1 3.54Å; T46-L51 HydrophobicContact CG2-CG 4.23Å; L51-Y69 HydrophobicContact CB-CD1 4.25Å; L51-V72 HydrophobicContact CD1-CB 4.47Å; L51-V72 HydrophobicContact CD1-CG1 3.65Å; L51-V72 HydrophobicContact CD1-CG2 3.98Å; L51-W93 HydrophobicContact CD2-CH2 4.15Å; L51-W93 HydrophobicContact CD2-CZ2 3.53Å; L51-W93 HydrophobicContact CG-CZ2 3.93Å; L51-R97 CarbonylContact C-O 3.54Å; L51-R97 WeakPolarHBondContact CA-O 3.4Å; L51-R97 HydrophobicContact CD2-CB 4.16Å; L51-R97 HydrophobicContact CD2-CG 4.42Å; L51-A99 HydrophobicContact CD2-CB 4.31Å; L51-F275 HydrophobicContact CD1-CZ 3.96Å
52	R	97.9	Very high	92.4	Very high	92 Å²	92	59.6 Å²	59.6	35%	0.347	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	117.4	169.4	178.6	-173.8	-64.1	150.6	-6.6	109.5	A41 P42 I96 R97 N98 A99	A41-R52 HydrophobicContact CB-CG 3.78Å; P42-R52 WeakPolarHBondContact O-CA 3.34Å; R52-I96 HydrophobicContact CB-CG2 3.64Å; R52-R97 PolarHBondContact N-O 3.09Å; R52-N98 PolarHBondContact NH1-OD1 3.22Å; R52-N98 VanDerWaalsContact NH1-OD1 3.09Å; R52-A99 PolarHBondContact O-N 3.09Å
53	G	97.3	Very high	92.1	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.01	31%	0.313	C	S	.	.			trans	-93.9	-166.2	173.2	0	0	0	0	0	112.6	P42 Q68	P42-G53 PolarHBondContact O-N 3.42Å; G53-Q68 CarbonylContact C-O 3.08Å; G53-Q68 WeakPolarHBondContact CA-O 3.25Å
54	A	96.6	Very high	91.7	Very high	33 Å²	33	56.5 Å²	56.5	27%	0.273	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	136.6	174.9	0	0	0	0	0	110.5	Q68 T100	A54-Q68 PolarHBondContact N-O 2.96Å; A54-Q68 PolarHBondContact O-N 3Å; A54-T100 HydrophobicContact CB-CG2 4.28Å
55	R	94.9	Very high	91.6	Very high	113 Å²	113	57.2 Å²	57.2	43%	0.426	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	117.8	171.4	-177	161.9	-66.8	-177.9	0.5	109.4	P65 D67	R55-P65 HydrophobicContact CG-CB 4.14Å; R55-D67 VanDerWaalsContact CB-OD1 3.29Å; R55-D67 WeakPolarHBondContact CB-OD1 3.38Å; R55-D67 WeakPolarHBondContact CG-OD1 3.36Å; R55-D67 IonicContact CZ-OD1 3.97Å; R55-D67 IonicContact CZ-OD2 2.74Å; R55-D67 IonicContact NE-OD1 2.89Å; R55-D67 PolarHBondContact NE-OD1 3.26Å; R55-D67 IonicContact NE-OD2 3.87Å; R55-D67 IonicContact NH2-OD1 2.74Å; R55-D67 PolarHBondContact NH2-OD1 2.86Å; R55-D67 IonicContact NH2-OD2 3.79Å; R55-D67 PolarHBondContact NH2-OD2 3.35Å
56	V	93.4	Very high	91.6	Very high	45 Å²	45	53 Å²	53	27%	0.273	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	121	-175.8	-177.7	0	0	0	0	109.8	P65 V66 Q68	V56-P65 WeakPolarHBondContact O-CA 3.38Å; V56-P65 WeakPolarHBondContact O-CB 3.33Å; V56-V66 PolarHBondContact N-O 3.12Å; V56-V66 PolarHBondContact O-N 3.44Å; V56-Q68 HydrophobicContact CB-CG 4.42Å; V56-Q68 HydrophobicContact CG2-CG 4.06Å
57	P	92	Very high	91.6	Very high	103 Å²	103	53.6 Å²	53.6	67%	0.669	28%	0.279	S	S	*	.			trans	-72.9	141.5	171.6	30.9	-32.9	0	0	0	110.5
58	L	90.3	Very high	91.7	Very high	26 Å²	26	49 Å²	49	14%	0.136	26%	0.258	C	S	.	.			trans	-88.2	149.6	175	-69	179.5	0	0	0	111.2	S60 L63 G64 V66 S226	L58-S60 PolarHBondContact O-N 3.13Å; L58-L63 HydrophobicContact CB-CB 4.24Å; L58-L63 HydrophobicContact CD1-CB 3.82Å; L58-L63 HydrophobicContact CD1-CD1 4.08Å; L58-G64 WeakPolarHBondContact CD1-O 3.08Å; L58-V66 HydrophobicContact CD1-CG2 4.11Å; L58-V66 HydrophobicContact CG-CG2 4.48Å; L58-S226 VanDerWaalsContact CD1-CB 3.49Å
59	P	84.1	Confident	91.8	Very high	99 Å²	99	48.1 Å²	48.1	64%	0.643	25%	0.254	S	S	*	.	S	Bend	trans	-61	-25.1	179.7	-26	35.6	0	0	0	114.6	V536	P59-V536 HydrophobicContact CG-CG1 4.06Å; P59-V536 HydrophobicContact CG-CG2 4.07Å
60	S	77.3	Confident	91.8	Very high	27 Å²	27	48.1 Å²	48.1	19%	0.189	25%	0.251	C	S	.	.	S	Bend	trans	-80.6	127.5	179.5	175.7	0	0	0	0	111.5	L58 I62 L63	L58-S60 PolarHBondContact O-N 3.13Å; S60-I62 PolarHBondContact O-N 2.94Å; S60-I62 VanDerWaalsContact O-N 3.17Å; S60-I62 PolarHBondContact OG-N 3.18Å; S60-L63 PolarHBondContact O-N 3.32Å
61	E	74.6	Confident	91.8	Very high	166 Å²	166	43.5 Å²	43.5	78%	0.776	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-17.2	175.5	-62.2	-172.7	171.8	0	0	113.6
62	I	80.4	Confident	91.8	Very high	89 Å²	89	43.5 Å²	43.5	46%	0.456	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-31.1	-178.3	-55.1	174.3	0	0	0	111.1	S60 F580 I581	S60-I62 PolarHBondContact O-N 2.94Å; S60-I62 VanDerWaalsContact O-N 3.17Å; S60-I62 PolarHBondContact OG-N 3.18Å; I62-F580 HydrophobicContact CD1-CB 4.28Å; I62-I581 HydrophobicContact CD1-CB 4.36Å; I62-I581 HydrophobicContact CG2-CB 4.42Å; I62-I581 HydrophobicContact CG2-CD1 4.09Å
63	L	87.7	Confident	91.8	Very high	17 Å²	17	39.5 Å²	39.5	9%	0.089	22%	0.219	C	C	.	.	S	Bend	trans	-86.1	136.6	-175.9	-66.2	177.1	0	0	0	110.7	L58 S60 I223 Y227 M535 I581	L58-L63 HydrophobicContact CB-CB 4.24Å; L58-L63 HydrophobicContact CD1-CB 3.82Å; L58-L63 HydrophobicContact CD1-CD1 4.08Å; S60-L63 PolarHBondContact O-N 3.32Å; L63-I223 HydrophobicContact CD1-CG2 3.9Å; L63-Y227 HydrophobicContact CD2-CD2 4.37Å; L63-M535 HydrophobicContact CD1-SD 4.35Å; L63-I581 HydrophobicContact CD2-CD1 3.59Å; L63-I581 HydrophobicContact CG-CD1 4.12Å
64	G	87.8	Confident	91.9	Very high	3 Å²	3	39.5 Å²	39.5	3%	0.031	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-70.8	158.2	174.4	0	0	0	0	0	111.8	L58 S226	L58-G64 WeakPolarHBondContact CD1-O 3.08Å; G64-S226 PolarHBondContact N-OG 3.34Å; G64-S226 PolarHBondContact O-OG 3.2Å
65	P	93.1	Very high	92	Very high	30 Å²	30	38 Å²	38	20%	0.195	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-63.9	164.6	172.1	28.3	-31.4	0	0	0	111.3	R55 V56 T150	R55-P65 HydrophobicContact CG-CB 4.14Å; V56-P65 WeakPolarHBondContact O-CA 3.38Å; V56-P65 WeakPolarHBondContact O-CB 3.33Å; P65-T150 HydrophobicContact CG-CG2 4.23Å; P65-T150 WeakPolarHBondContact CG-OG1 3.24Å; P65-T150 WeakPolarHBondContact O-CG2 3.19Å; P65-T150 PolarHBondContact O-N 2.99Å; P65-T150 PolarHBondContact O-OG1 2.89Å
66	V	95.2	Very high	92.1	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	136.5	-179	177.8	0	0	0	0	109	V56 L58 Q68 Y147 V148 S222	V56-V66 PolarHBondContact N-O 3.12Å; V56-V66 PolarHBondContact O-N 3.44Å; L58-V66 HydrophobicContact CD1-CG2 4.11Å; L58-V66 HydrophobicContact CG-CG2 4.48Å; V66-Q68 HydrophobicContact CG1-CG 4.26Å; V66-Y147 HydrophobicContact CG1-CD1 4.5Å; V66-V148 CarbonylContact C-O 3.54Å; V66-V148 WeakPolarHBondContact CA-O 3.28Å; V66-V148 WeakPolarHBondContact CG1-O 3.18Å; V66-S222 WeakPolarHBondContact CG2-O 3.37Å
67	D	96.8	Very high	92.3	Very high	17 Å²	17	32.6 Å²	32.6	9%	0.091	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	116.1	168	-70.6	-23.3	0	0	0	108.6	P42 R55 Y69 V148	P42-D67 HydrophobicContact CB-CB 4.26Å; P42-D67 HydrophobicContact CG-CB 4.03Å; R55-D67 VanDerWaalsContact CB-OD1 3.29Å; R55-D67 WeakPolarHBondContact CB-OD1 3.38Å; R55-D67 WeakPolarHBondContact CG-OD1 3.36Å; R55-D67 IonicContact CZ-OD1 3.97Å; R55-D67 IonicContact CZ-OD2 2.74Å; R55-D67 IonicContact NE-OD1 2.89Å; R55-D67 PolarHBondContact NE-OD1 3.26Å; R55-D67 IonicContact NE-OD2 3.87Å; R55-D67 IonicContact NH2-OD1 2.74Å; R55-D67 PolarHBondContact NH2-OD1 2.86Å; R55-D67 IonicContact NH2-OD2 3.79Å; R55-D67 PolarHBondContact NH2-OD2 3.35Å; D67-Y69 HydrophobicContact CB-CE2 4.16Å; D67-V148 HydrophobicContact CB-CB 4.29Å; D67-V148 PolarHBondContact N-O 3.39Å; D67-V148 PolarHBondContact O-N 3.41Å
68	Q	97.9	Very high	92.6	Very high	25 Å²	25	28 Å²	28	12%	0.117	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	132.7	-179.1	-63.3	-177.5	-5	0	0	110.7	G53 A54 V56 V66 L70 V146 Y147 S222	G53-Q68 CarbonylContact C-O 3.08Å; G53-Q68 WeakPolarHBondContact CA-O 3.25Å; A54-Q68 PolarHBondContact N-O 2.96Å; A54-Q68 PolarHBondContact O-N 3Å; V56-Q68 HydrophobicContact CB-CG 4.42Å; V56-Q68 HydrophobicContact CG2-CG 4.06Å; V66-Q68 HydrophobicContact CG1-CG 4.26Å; Q68-L70 HydrophobicContact CB-CD2 4.14Å; Q68-L70 HydrophobicContact CB-CG 4.31Å; Q68-V146 WeakPolarHBondContact CA-O 3.45Å; Q68-Y147 HydrophobicContact CG-CD1 3.86Å; Q68-Y147 HydrophobicContact CG-CE1 4.12Å; Q68-S222 PolarHBondContact NE2-OG 2.91Å
69	Y	98.4	Very high	92.9	Very high	9 Å²	9	30.9 Å²	30.9	4%	0.035	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	97.5	170.5	-58.2	-98.5	0	0	0	108.2	P42 V44 L51 D67 A99 N145 V146 V148 F275	P42-Y69 WeakPolarHBondContact CB-OH 3.32Å; V44-Y69 HydrophobicContact CB-CE1 4.13Å; V44-Y69 HydrophobicContact CG2-CE1 4.04Å; V44-Y69 HydrophobicContact CG2-CE2 4.45Å; V44-Y69 WeakPolarHBondContact CG2-OH 3.45Å; L51-Y69 HydrophobicContact CB-CD1 4.25Å; D67-Y69 HydrophobicContact CB-CE2 4.16Å; Y69-A99 CarbonylContact C-O 3.53Å; Y69-A99 WeakPolarHBondContact CA-O 3.21Å; Y69-N145 CarbonylContact O-C 3.59Å; Y69-N145 WeakPolarHBondContact O-CA 3.34Å; Y69-V146 HydrophobicContact CD2-CB 4.49Å; Y69-V146 PolarHBondContact N-O 2.82Å; Y69-V146 PolarHBondContact O-N 2.97Å; Y69-V148 HydrophobicContact CD2-CG2 4.41Å; Y69-V148 HydrophobicContact CE2-CG2 4.21Å; Y69-F275 AromaticContact CD1-CE1 3.93Å; Y69-F275 HydrophobicContact CD1-CE1 3.93Å; Y69-F275 AromaticContact CD2-CD1 3.82Å; Y69-F275 HydrophobicContact CD2-CD1 3.82Å; Y69-F275 AromaticContact CD2-CE1 3.66Å; Y69-F275 HydrophobicContact CD2-CE1 3.66Å; Y69-F275 HydrophobicContact CE1-CE1 4.14Å; Y69-F275 AromaticContact CE2-CD1 3.77Å; Y69-F275 HydrophobicContact CE2-CD1 3.77Å; Y69-F275 AromaticContact CE2-CE1 3.89Å; Y69-F275 HydrophobicContact CE2-CE1 3.89Å; Y69-F275 HydrophobicContact CG-CD1 4.33Å; Y69-F275 AromaticContact CG-CE1 3.68Å; Y69-F275 HydrophobicContact CG-CE1 3.68Å
70	L	97.7	Very high	93.4	Very high	11 Å²	11	28 Å²	28	6%	0.058	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	135.1	-173.9	-49.5	-178	0	0	0	110.3	Q68 A99 H101 F102 N145 Y147	Q68-L70 HydrophobicContact CB-CD2 4.14Å; Q68-L70 HydrophobicContact CB-CG 4.31Å; L70-A99 PolarHBondContact N-O 3.13Å; L70-A99 CarbonylContact O-C 3.6Å; L70-A99 WeakPolarHBondContact O-CA 3.08Å; L70-A99 WeakPolarHBondContact O-CB 3.49Å; L70-H101 CarbonylContact C-O 3.56Å; L70-F102 HydrophobicContact CB-CD1 4.21Å; L70-F102 HydrophobicContact CB-CE1 4.39Å; L70-F102 HydrophobicContact CD1-CD1 4.36Å; L70-F102 HydrophobicContact CD1-CE1 4.09Å; L70-F102 HydrophobicContact CD1-CE2 4.31Å; L70-F102 HydrophobicContact CD1-CZ 4.06Å; L70-F102 HydrophobicContact CD2-CD1 4.44Å; L70-F102 HydrophobicContact CD2-CE1 3.78Å; L70-F102 HydrophobicContact CD2-CZ 4.21Å; L70-F102 HydrophobicContact CG-CE1 4.3Å; L70-N145 WeakPolarHBondContact CA-OD1 3.4Å; L70-N145 HydrophobicContact CD2-CB 3.98Å; L70-Y147 HydrophobicContact CD2-CE1 4.27Å
71	G	96.9	Very high	94.2	Very high	7 Å²	7	33.6 Å²	33.6	7%	0.072	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	73.1	43.7	178.7	0	0	0	0	0	115	P73 Y143 L144 N145	G71-P73 WeakPolarHBondContact O-CD 3.46Å; G71-Y143 WeakPolarHBondContact O-CD1 3.48Å; G71-L144 PolarHBondContact N-O 3.48Å; G71-N145 PolarHBondContact N-OD1 3.29Å
72	V	98.2	Very high	95.3	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	118.9	174.5	-176	0	0	0	0	109.6	L51 Y74 A99 Y143 L144 W267	L51-V72 HydrophobicContact CD1-CB 4.47Å; L51-V72 HydrophobicContact CD1-CG1 3.65Å; L51-V72 HydrophobicContact CD1-CG2 3.98Å; V72-Y74 PolarHBondContact O-N 3.05Å; V72-A99 HydrophobicContact CG2-CB 4.15Å; V72-Y143 CarbonylContact O-C 3.51Å; V72-Y143 WeakPolarHBondContact O-CA 3.37Å; V72-L144 HydrophobicContact CB-CD1 3.85Å; V72-L144 HydrophobicContact CB-CG 4.37Å; V72-L144 HydrophobicContact CG1-CD1 4.31Å; V72-L144 HydrophobicContact CG2-CD1 4.44Å; V72-L144 PolarHBondContact N-O 2.86Å; V72-L144 PolarHBondContact O-N 2.89Å; V72-W267 HydrophobicContact CG1-CH2 3.7Å; V72-W267 HydrophobicContact CG1-CZ2 3.38Å
73	P	98	Very high	96.1	Very high	9 Å²	9	25.5 Å²	25.5	6%	0.058	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	124.2	178.9	27.6	-32.7	0	0	0	110.1	G71 P90 W93 Y143	G71-P73 WeakPolarHBondContact O-CD 3.46Å; P73-P90 HydrophobicContact CB-CB 4.41Å; P73-W93 HydrophobicContact CG-CH2 4.17Å; P73-W93 HydrophobicContact CG-CZ3 3.86Å; P73-Y143 HydrophobicContact CB-CD1 3.99Å; P73-Y143 HydrophobicContact CB-CE1 3.78Å; P73-Y143 HydrophobicContact CG-CE1 4.45Å
74	Y	98.3	Very high	96.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.138	C	C	.	.			trans	-108.5	-8.9	177.5	71.7	-102.4	0	0	0	113.3	V72 P90 L142 Y143 L144 N236 D260 Q263 A264	V72-Y74 PolarHBondContact O-N 3.05Å; Y74-P90 WeakPolarHBondContact O-CD 3.5Å; Y74-L142 WeakPolarHBondContact CD1-O 3.28Å; Y74-L142 HydrophobicContact CE1-CB 4.18Å; Y74-L142 HydrophobicContact CE2-CB 4.18Å; Y74-L142 PolarHBondContact N-O 3.18Å; Y74-L142 WeakPolarHBondContact OH-CD2 3.23Å; Y74-Y143 VanDerWaalsContact CD1-C 3.48Å; Y74-Y143 VanDerWaalsContact CE1-N 3.31Å; Y74-Y143 WeakPolarHBondContact CE1-O 3.36Å; Y74-L144 HydrophobicContact CD1-CB 4.02Å; Y74-L144 HydrophobicContact CD1-CD2 3.91Å; Y74-L144 HydrophobicContact CD1-CG 4.04Å; Y74-L144 HydrophobicContact CG-CD2 4.04Å; Y74-N236 WeakPolarHBondContact CE1-O 3.46Å; Y74-N236 PolarHBondContact OH-O 2.98Å; Y74-D260 VanDerWaalsContact CE2-O 3.25Å; Y74-D260 WeakPolarHBondContact CE2-O 3.35Å; Y74-Q263 HydrophobicContact CD2-CG 4.18Å; Y74-Q263 HydrophobicContact CE2-CB 4.48Å; Y74-Q263 PolarHBondContact O-NE2 2.82Å; Y74-A264 HydrophobicContact CD1-CB 4.17Å; Y74-A264 HydrophobicContact CD2-CB 3.72Å; Y74-A264 HydrophobicContact CE1-CB 4.19Å; Y74-A264 HydrophobicContact CE2-CB 3.79Å; Y74-A264 HydrophobicContact CG-CB 3.94Å
75	A	98.4	Very high	97	Very high	3 Å²	3	28.1 Å²	28.1	3%	0.025	16%	0.155	C	C	.	.	S	Bend	trans	-147.8	164.6	176.4	0	0	0	0	0	110.9	P87 E88 L142 Q263	A75-P87 HydrophobicContact CB-CB 3.99Å; A75-E88 CarbonylContact C-O 3.47Å; A75-E88 WeakPolarHBondContact CA-O 3.32Å; A75-E88 WeakPolarHBondContact CB-O 3.46Å; A75-L142 HydrophobicContact CB-CB 3.92Å; A75-L142 HydrophobicContact CB-CD1 3.59Å; A75-L142 HydrophobicContact CB-CG 4.42Å; A75-Q263 HydrophobicContact CB-CG 4.02Å
76	A	97.9	Very high	97.3	Very high	7 Å²	7	30.2 Å²	30.2	6%	0.058	17%	0.169	C	C	.	.			trans	-70.7	150.4	170.8	0	0	0	0	0	111	P78 E88	A76-P78 WeakPolarHBondContact O-CD 3.11Å; A76-E88 HydrophobicContact CB-CB 4.2Å; A76-E88 PolarHBondContact N-O 3.41Å
77	P	97.9	Very high	97.4	Very high	37 Å²	37	31.1 Å²	31.1	24%	0.24	18%	0.175	C	C	.	.			trans	-57.5	125.4	177.9	-25.8	34.9	0	0	0	112.1	I79 D140	P77-I79 HydrophobicContact CB-CD1 4.22Å; P77-I79 HydrophobicContact CB-CG1 4.14Å; P77-I79 HydrophobicContact CB-CG2 4.32Å; P77-I79 PolarHBondContact O-N 3.19Å; P77-D140 HydrophobicContact CB-CB 4Å; P77-D140 HydrophobicContact CG-CB 4.36Å
78	P	97.5	Very high	97.4	Very high	6 Å²	6	35 Å²	35	4%	0.039	19%	0.192	C	C	.	.			trans	-82.9	50.3	-176.6	35.3	-37.9	0	0	0	112.2	A76 E139 L142 R238	A76-P78 WeakPolarHBondContact O-CD 3.11Å; P78-E139 WeakPolarHBondContact CD-O 3.06Å; P78-E139 WeakPolarHBondContact CG-O 3.35Å; P78-L142 HydrophobicContact CB-CD1 4.27Å; P78-L142 HydrophobicContact CG-CD1 3.85Å; P78-L142 HydrophobicContact CG-CD2 4.5Å; P78-L142 HydrophobicContact CG-CG 3.97Å; P78-R238 HydrophobicContact CG-CG 4.21Å
79	I	96.6	Very high	97.4	Very high	86 Å²	86	37.6 Å²	37.6	44%	0.441	21%	0.211	S	C	.	.			trans	-103.8	157.4	-173.6	61.9	177.1	0	0	0	112.6	P77 E81 K82 E139	P77-I79 HydrophobicContact CB-CD1 4.22Å; P77-I79 HydrophobicContact CB-CG1 4.14Å; P77-I79 HydrophobicContact CB-CG2 4.32Å; P77-I79 PolarHBondContact O-N 3.19Å; I79-E81 PolarHBondContact O-N 2.95Å; I79-K82 WeakPolarHBondContact O-CB 3.34Å; I79-K82 PolarHBondContact O-N 3.42Å; I79-K82 VanDerWaalsContact O-N 3.13Å; I79-E139 HydrophobicContact CG2-CB 3.61Å
80	G	94.6	Very high	97.3	Very high	38 Å²	38	37.4 Å²	37.4	39%	0.392	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	60.3	-126.5	178.2	0	0	0	0	0	111.4	K82 R83	G80-K82 PolarHBondContact O-N 3.1Å; G80-K82 VanDerWaalsContact O-N 3.12Å; G80-R83 VanDerWaalsContact O-CB 3.28Å; G80-R83 WeakPolarHBondContact O-CB 3.27Å; G80-R83 PolarHBondContact O-N 3.21Å
81	E	94.7	Very high	97.2	Very high	145 Å²	145	41.3 Å²	41.3	68%	0.678	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-59.9	-22.1	178.1	-57.3	-52.4	131.9	0	0	113.5	I79 R83 L85	I79-E81 PolarHBondContact O-N 2.95Å; E81-R83 VanDerWaalsContact C-N 3.27Å; E81-R83 PolarHBondContact O-N 3.42Å; E81-L85 WeakPolarHBondContact O-CD1 3.41Å
82	K	96.7	Very high	97.1	Very high	71 Å²	71	45.3 Å²	45.3	31%	0.309	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-80.3	-7.3	177.6	-62.9	-177.2	171.2	-170.3	0	113.5	I79 G80 L85 E88	I79-K82 WeakPolarHBondContact O-CB 3.34Å; I79-K82 PolarHBondContact O-N 3.42Å; I79-K82 VanDerWaalsContact O-N 3.13Å; G80-K82 PolarHBondContact O-N 3.1Å; G80-K82 VanDerWaalsContact O-N 3.12Å; K82-L85 PolarHBondContact O-N 3.38Å; K82-E88 VanDerWaalsContact CE-OE2 3.25Å; K82-E88 WeakPolarHBondContact CE-OE2 3.28Å; K82-E88 IonicContact NZ-OE1 3.34Å; K82-E88 IonicContact NZ-OE2 2.8Å; K82-E88 PolarHBondContact NZ-OE2 3.07Å
83	R	97.6	Very high	97	Very high	15 Å²	15	47.6 Å²	47.6	6%	0.057	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	137.6	174.2	-167.4	-171.1	-69.9	162	4.4	109.4	G80 E81 L85 E139 L242 L352 R353 K355	G80-R83 VanDerWaalsContact O-CB 3.28Å; G80-R83 WeakPolarHBondContact O-CB 3.27Å; G80-R83 PolarHBondContact O-N 3.21Å; E81-R83 VanDerWaalsContact C-N 3.27Å; E81-R83 PolarHBondContact O-N 3.42Å; R83-L85 VanDerWaalsContact C-N 3.25Å; R83-L85 PolarHBondContact O-N 3.25Å; R83-E139 IonicContact CZ-OE1 2.78Å; R83-E139 IonicContact CZ-OE2 3.42Å; R83-E139 VanDerWaalsContact CZ-OE2 3.29Å; R83-E139 IonicContact NE-OE1 3.07Å; R83-E139 IonicContact NE-OE2 3.89Å; R83-E139 PolarHBondContact NE-OE2 3.31Å; R83-E139 IonicContact NH2-OE1 2.76Å; R83-E139 PolarHBondContact NH2-OE1 3.08Å; R83-E139 IonicContact NH2-OE2 2.71Å; R83-E139 PolarHBondContact NH2-OE2 2.87Å; R83-L242 HydrophobicContact CG-CD2 4.06Å; R83-L352 PolarHBondContact NH1-O 2.97Å; R83-R353 HydrophobicContact CB-CG 4.37Å; R83-R353 PolarHBondContact NH1-O 2.82Å; R83-R353 PolarHBondContact O-NE 2.78Å; R83-K355 PolarHBondContact NH1-O 2.96Å; R83-K355 PolarHBondContact NH2-O 3.09Å
84	F	97.7	Very high	96.9	Very high	1 Å²	1	52.9 Å²	52.9	0%	0.004	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	35	-174.3	-41.2	-57.1	0	0	0	113.2	V241 L242 L245 Y256 V349 L352 R353 L360	F84-V241 HydrophobicContact CE1-CG1 4.28Å; F84-V241 HydrophobicContact CZ-CG1 4.47Å; F84-L242 HydrophobicContact CE1-CD2 4.05Å; F84-L242 HydrophobicContact CZ-CD2 4.24Å; F84-L245 HydrophobicContact CD1-CB 4.17Å; F84-L245 HydrophobicContact CD1-CD2 4.5Å; F84-L245 HydrophobicContact CE1-CB 4.09Å; F84-L245 HydrophobicContact CE1-CD1 4.31Å; F84-L245 HydrophobicContact CZ-CD1 4.34Å; F84-Y256 HydrophobicContact CB-CE2 3.76Å; F84-Y256 HydrophobicContact CD1-CE2 4.22Å; F84-Y256 HydrophobicContact CG-CE2 4.48Å; F84-Y256 WeakPolarHBondContact O-CE1 3.39Å; F84-Y256 PolarHBondContact O-OH 3.31Å; F84-V349 HydrophobicContact CD2-CG1 4.1Å; F84-L352 HydrophobicContact CE2-CB 3.94Å; F84-L352 HydrophobicContact CZ-CB 4.49Å; F84-R353 HydrophobicContact CD2-CG 3.83Å; F84-R353 HydrophobicContact CE2-CG 4.14Å; F84-L360 HydrophobicContact CZ-CD1 4.06Å
85	L	97.5	Very high	96.8	Very high	73 Å²	73	55.4 Å²	55.4	38%	0.382	34%	0.336	S	S	.	.	S	Bend	trans	-128.3	159.6	170.9	-67.6	-178.7	0	0	0	111	E81 K82 R83 R238	E81-L85 WeakPolarHBondContact O-CD1 3.41Å; K82-L85 PolarHBondContact O-N 3.38Å; R83-L85 VanDerWaalsContact C-N 3.25Å; R83-L85 PolarHBondContact O-N 3.25Å; L85-R238 PolarHBondContact O-NH1 3.35Å; L85-R238 PolarHBondContact O-NH2 2.9Å
86	P	98.1	Very high	96.7	Very high	75 Å²	75	59 Å²	59	49%	0.487	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-52.3	145.1	169.2	-26.1	35.4	0	0	0	112	L259	P86-L259 HydrophobicContact CB-CD1 3.98Å; P86-L259 HydrophobicContact CG-CD1 3.94Å
87	P	98.2	Very high	96.6	Very high	19 Å²	19	63.4 Å²	63.4	12%	0.123	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-66.6	144.7	176.5	31.5	-35.9	0	0	0	111	A75 L142 L259 D260 Q263	A75-P87 HydrophobicContact CB-CB 3.99Å; P87-L142 HydrophobicContact CB-CD1 4.09Å; P87-L259 HydrophobicContact CG-CB 4.29Å; P87-L259 WeakPolarHBondContact CG-O 3.44Å; P87-D260 WeakPolarHBondContact CB-OD1 3.47Å; P87-D260 WeakPolarHBondContact CG-OD1 3.3Å; P87-Q263 HydrophobicContact CB-CB 4.27Å; P87-Q263 HydrophobicContact CB-CG 4.22Å; P87-Q263 HydrophobicContact CG-CB 3.62Å; P87-Q263 HydrophobicContact CG-CG 4.07Å
88	E	97.8	Very high	96.6	Very high	98 Å²	98	66.1 Å²	66.1	46%	0.458	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-100.1	155.5	171.1	-69.5	177.1	-168.3	0	0	110.4	A75 A76 K82	A75-E88 CarbonylContact C-O 3.47Å; A75-E88 WeakPolarHBondContact CA-O 3.32Å; A75-E88 WeakPolarHBondContact CB-O 3.46Å; A76-E88 HydrophobicContact CB-CB 4.2Å; A76-E88 PolarHBondContact N-O 3.41Å; K82-E88 VanDerWaalsContact CE-OE2 3.25Å; K82-E88 WeakPolarHBondContact CE-OE2 3.28Å; K82-E88 IonicContact NZ-OE1 3.34Å; K82-E88 IonicContact NZ-OE2 2.8Å; K82-E88 PolarHBondContact NZ-OE2 3.07Å
89	P	97	Very high	96.6	Very high	79 Å²	79	65.9 Å²	65.9	51%	0.513	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-54.5	151	171.7	-26	35.2	0	0	0	113	F48	F48-P89 HydrophobicContact CE1-CB 4.39Å; F48-P89 HydrophobicContact CZ-CB 4.49Å
90	P	96.3	Very high	96.5	Very high	6 Å²	6	63.8 Å²	63.8	4%	0.039	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-70.9	146.8	-177.2	29	-30.7	0	0	0	110.7	F48 P73 Y74	F48-P90 HydrophobicContact CD1-CG 3.8Å; F48-P90 WeakPolarHBondContact CD1-O 3.28Å; F48-P90 HydrophobicContact CD2-CG 4.03Å; F48-P90 HydrophobicContact CE1-CG 3.73Å; F48-P90 VanDerWaalsContact CE1-O 3.28Å; F48-P90 WeakPolarHBondContact CE1-O 3.38Å; F48-P90 HydrophobicContact CE2-CG 3.97Å; F48-P90 HydrophobicContact CG-CG 3.96Å; F48-P90 HydrophobicContact CZ-CG 3.82Å; P73-P90 HydrophobicContact CB-CB 4.41Å; Y74-P90 WeakPolarHBondContact O-CD 3.5Å
91	P	94.6	Very high	96.6	Very high	93 Å²	93	69 Å²	69	60%	0.604	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-66.3	138.8	173.7	28	-33.7	0	0	0	110.5
92	S	96.4	Very high	96.6	Very high	91 Å²	91	66.1 Å²	66.1	64%	0.636	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-64.4	149.6	172.3	-51.7	0	0	0	0	111.4	F48	F48-S92 CarbonylContact O-C 3.6Å; F48-S92 VanDerWaalsContact O-CA 3.24Å; F48-S92 WeakPolarHBondContact O-CA 3.3Å; F48-S92 WeakPolarHBondContact O-CB 3.47Å
93	W	96.4	Very high	96.2	Very high	47 Å²	47	63.8 Å²	63.8	18%	0.178	36%	0.362	C	S	.	.			trans	-126.2	147.7	178	61.2	87.5	0	0	0	112.3	F48 K50 L51 P73	F48-W93 HydrophobicContact CB-CE3 4.14Å; F48-W93 HydrophobicContact CB-CH2 3.76Å; F48-W93 HydrophobicContact CB-CZ3 3.51Å; F48-W93 PolarHBondContact O-N 3.48Å; K50-W93 PolarHBondContact O-NE1 3.1Å; L51-W93 HydrophobicContact CD2-CH2 4.15Å; L51-W93 HydrophobicContact CD2-CZ2 3.53Å; L51-W93 HydrophobicContact CG-CZ2 3.93Å; P73-W93 HydrophobicContact CG-CH2 4.17Å; P73-W93 HydrophobicContact CG-CZ3 3.86Å
94	S	94.8	Very high	96	Very high	121 Å²	121	65.6 Å²	65.6	85%	0.846	38%	0.376	S	S	*	.	S	Bend	trans	-87.7	148.4	171	62.1	0	0	0	0	111.5
95	G	95.5	Very high	95.9	Very high	53 Å²	53	65.7 Å²	65.7	55%	0.546	38%	0.377	S	S	.	.	S	Bend	trans	85.2	-155.5	178.7	0	0	0	0	0	112.9
96	I	96.2	Very high	95.9	Very high	78 Å²	78	62.3 Å²	62.3	40%	0.4	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	116.9	-179.2	-56.6	174.3	0	0	0	108.1	T43 K50 R52	T43-I96 HydrophobicContact CG2-CG2 4.5Å; K50-I96 HydrophobicContact CB-CB 4.47Å; K50-I96 HydrophobicContact CB-CG1 4.03Å; K50-I96 HydrophobicContact CD-CG1 4.3Å; R52-I96 HydrophobicContact CB-CG2 3.64Å
97	R	96.7	Very high	95.8	Very high	99 Å²	99	59.3 Å²	59.3	37%	0.374	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	131.1	173.4	-179.4	178.4	-177.7	111.6	-0.5	109.3	K50 L51 R52	K50-R97 PolarHBondContact O-N 3.15Å; L51-R97 CarbonylContact C-O 3.54Å; L51-R97 WeakPolarHBondContact CA-O 3.4Å; L51-R97 HydrophobicContact CD2-CB 4.16Å; L51-R97 HydrophobicContact CD2-CG 4.42Å; R52-R97 PolarHBondContact N-O 3.09Å
98	N	97.2	Very high	95.6	Very high	95 Å²	95	59.2 Å²	59.2	51%	0.508	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	126.7	174.7	-65.9	-33.4	0	0	0	109.2	R52	R52-N98 PolarHBondContact NH1-OD1 3.22Å; R52-N98 VanDerWaalsContact NH1-OD1 3.09Å
99	A	97.4	Very high	95.1	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.008	33%	0.325	C	S	.	.			trans	-119.5	60.6	175.5	0	0	0	0	0	108.7	L51 R52 Y69 L70 V72	L51-A99 HydrophobicContact CD2-CB 4.31Å; R52-A99 PolarHBondContact O-N 3.09Å; Y69-A99 CarbonylContact C-O 3.53Å; Y69-A99 WeakPolarHBondContact CA-O 3.21Å; L70-A99 PolarHBondContact N-O 3.13Å; L70-A99 CarbonylContact O-C 3.6Å; L70-A99 WeakPolarHBondContact O-CA 3.08Å; L70-A99 WeakPolarHBondContact O-CB 3.49Å; V72-A99 HydrophobicContact CG2-CB 4.15Å
100	T	96.2	Very high	94.4	Very high	42 Å²	42	52.9 Å²	52.9	26%	0.258	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-119.3	-2.3	-171.4	61.5	0	0	0	0	113.6	A54	A54-T100 HydrophobicContact CB-CG2 4.28Å
101	H	94.9	Very high	93.1	Very high	147 Å²	147	60.5 Å²	60.5	68%	0.681	34%	0.338	S	S	*	.	S	Bend	trans	-140.1	151.6	-179.5	-56.1	96.2	0	0	0	109	L70	L70-H101 CarbonylContact C-O 3.56Å
102	F	95.2	Very high	91.6	Very high	85 Å²	85	58.4 Å²	58.4	37%	0.373	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-65.3	141.3	173.3	-65.9	-61.1	0	0	0	110.9	L70 N145 N217	L70-F102 HydrophobicContact CB-CD1 4.21Å; L70-F102 HydrophobicContact CB-CE1 4.39Å; L70-F102 HydrophobicContact CD1-CD1 4.36Å; L70-F102 HydrophobicContact CD1-CE1 4.09Å; L70-F102 HydrophobicContact CD1-CE2 4.31Å; L70-F102 HydrophobicContact CD1-CZ 4.06Å; L70-F102 HydrophobicContact CD2-CD1 4.44Å; L70-F102 HydrophobicContact CD2-CE1 3.78Å; L70-F102 HydrophobicContact CD2-CZ 4.21Å; L70-F102 HydrophobicContact CG-CE1 4.3Å; F102-N145 WeakPolarHBondContact CD1-OD1 3.36Å; F102-N145 HydrophobicContact CE1-CB 4.42Å; F102-N217 HydrophobicContact CD1-CB 3.92Å; F102-N217 WeakPolarHBondContact CD1-OD1 3.44Å; F102-N217 HydrophobicContact CD2-CB 4.46Å; F102-N217 HydrophobicContact CE1-CB 4.18Å; F102-N217 HydrophobicContact CG-CB 4.07Å
103	P	89.7	Confident	89.7	Confident	21 Å²	21	57.7 Å²	57.7	14%	0.136	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-80.3	170.5	173.4	35.2	-32.1	0	0	0	110.4	Y143	P103-Y143 HydrophobicContact CB-CD1 4.15Å; P103-Y143 HydrophobicContact CB-CD2 3.54Å; P103-Y143 HydrophobicContact CB-CE1 4.46Å; P103-Y143 HydrophobicContact CB-CE2 3.94Å; P103-Y143 HydrophobicContact CB-CG 3.71Å; P103-Y143 VanDerWaalsContact CG-CB 3.4Å; P103-Y143 HydrophobicContact CG-CD1 4.18Å; P103-Y143 HydrophobicContact CG-CD2 3.62Å; P103-Y143 HydrophobicContact CG-CE2 4.49Å; P103-Y143 HydrophobicContact CG-CG 3.47Å; P103-Y143 VanDerWaalsContact CG-CG 3.47Å
104	P	93.4	Very high	88	Confident	54 Å²	54	56.7 Å²	56.7	35%	0.351	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-50.2	143.6	166.2	-28.4	37.5	0	0	0	112.3	N138	P104-N138 HydrophobicContact CB-CB 3.59Å; P104-N138 HydrophobicContact CG-CB 4.21Å
105	V	95.5	Very high	87.1	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.012	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-84.9	164.5	174.1	-59.2	0	0	0	0	111	Y133 I134 P137 N138 T215	V105-Y133 WeakPolarHBondContact CG1-O 3.29Å; V105-I134 HydrophobicContact CG2-CB 4.33Å; V105-I134 HydrophobicContact CG2-CG2 4.06Å; V105-P137 HydrophobicContact CG2-CB 4.46Å; V105-P137 WeakPolarHBondContact O-CA 3.46Å; V105-N138 PolarHBondContact O-N 2.94Å; V105-T215 HydrophobicContact CG1-CG2 3.97Å; V105-T215 WeakPolarHBondContact CG1-OG1 3.43Å
106	C	97	Very high	86.3	Confident	3 Å²	3	54.8 Å²	54.8	2%	0.02	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-66.3	148.1	176	-59.7	0	0	0	0	111.6	Q108 C141 Y237 V239	C106-Q108 PolarHBondContact O-N 3.24Å; C106-Q108 PolarHBondContact O-NE2 2.73Å; C106-C141 VanDerWaalsContact CA-CB 3.46Å; C106-C141 WeakPolarHBondContact CA-SG 3.47Å; C106-C141 HydrophobicContact CB-CB 3.8Å; C106-C141 WeakPolarHBondContact CB-SG 3.33Å; C106-C141 VanDerWaalsContact N-CB 3.34Å; C106-C141 WeakPolarHBondContact SG-CB 3.44Å; C106-C141 CovalentContact SG-SG 2.04Å; C106-C141 PolarHBondContact SG-SG 3.43Å; C106-Y237 VanDerWaalsContact SG-C 3.59Å; C106-Y237 PolarHBondContact SG-O 3.21Å; C106-V239 HydrophobicContact CB-CG2 4.08Å
107	P	95.6	Very high	85.8	Confident	11 Å²	11	52.3 Å²	52.3	7%	0.071	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-60.7	126.2	-179.5	-22.8	36.3	0	0	0	112.2	P137 N138 E139 L242 A357 V361	P107-P137 HydrophobicContact CB-CB 4.44Å; P107-N138 WeakPolarHBondContact CD-O 3.46Å; P107-E139 HydrophobicContact CG-CG 3.9Å; P107-L242 HydrophobicContact CB-CD1 3.9Å; P107-L242 HydrophobicContact CG-CD1 3.71Å; P107-A357 HydrophobicContact CB-CB 4.13Å; P107-A357 HydrophobicContact CG-CB 3.98Å; P107-V361 HydrophobicContact CB-CG2 4.07Å
108	Q	93	Very high	85.3	Confident	17 Å²	17	48 Å²	48	8%	0.079	26%	0.261	C	S	.	.			trans	-155.3	159.5	-175.6	61.6	-166	-88	0	0	109.9	C106 I134 M212 E213 G214 V239 V361	C106-Q108 PolarHBondContact O-N 3.24Å; C106-Q108 PolarHBondContact O-NE2 2.73Å; Q108-I134 HydrophobicContact CG-CG2 3.51Å; Q108-M212 VanDerWaalsContact CB-O 3.32Å; Q108-M212 WeakPolarHBondContact CB-O 3.49Å; Q108-E213 HydrophobicContact CB-CB 4.35Å; Q108-E213 VanDerWaalsContact OE1-CA 3.26Å; Q108-E213 VanDerWaalsContact OE1-CB 3.3Å; Q108-G214 PolarHBondContact NE2-O 3.22Å; Q108-G214 PolarHBondContact OE1-O 2.89Å; Q108-V239 HydrophobicContact CB-CG2 4.05Å; Q108-V361 VanDerWaalsContact C-CG1 3.47Å
109	N	87.3	Confident	84.9	Confident	34 Å²	34	43.5 Å²	43.5	18%	0.182	24%	0.237	C	C	.	.			trans	-131.6	110.8	176.8	-176.9	2.3	0	0	0	110.3	H111 T112 V361	N109-H111 WeakPolarHBondContact OD1-CB 3.33Å; N109-H111 PolarHBondContact OD1-N 3.41Å; N109-T112 WeakPolarHBondContact ND2-CG2 3.35Å; N109-T112 PolarHBondContact O-OG1 2.93Å; N109-V361 HydrophobicContact CB-CG1 3.91Å
110	I	82.4	Confident	84.6	Confident	11 Å²	11	44.1 Å²	44.1	6%	0.056	24%	0.241	C	C	.	.	S	Bend	trans	-89.3	-4.4	179.7	61.1	170	0	0	0	113.5	V114 A131 I134 E213	I110-V114 WeakPolarHBondContact O-CG2 3.39Å; I110-A131 HydrophobicContact CD1-CB 3.71Å; I110-I134 HydrophobicContact CD1-CD1 4.38Å; I110-I134 HydrophobicContact CG2-CD1 3.65Å; I110-E213 HydrophobicContact CG2-CB 4.04Å; I110-E213 HydrophobicContact CG2-CG 4.45Å
111	H	69.5	Low	84.3	Confident	166 Å²	166	42.5 Å²	42.5	77%	0.769	23%	0.231	S	C	*	.	S	Bend	trans	-92.5	-20.2	-176.6	-60.4	-59.4	0	0	0	113.5	N109	N109-H111 WeakPolarHBondContact OD1-CB 3.33Å; N109-H111 PolarHBondContact OD1-N 3.41Å
112	T	62.4	Low	84	Confident	49 Å²	49	36.9 Å²	36.9	30%	0.301	20%	0.204	S	C	.	.	S	Bend	trans	-72.1	153.4	170	37.1	0	0	0	0	110.3	N109 V114	N109-T112 WeakPolarHBondContact ND2-CG2 3.35Å; N109-T112 PolarHBondContact O-OG1 2.93Å; T112-V114 VanDerWaalsContact C-N 3.33Å; T112-V114 WeakPolarHBondContact O-CG2 3.5Å; T112-V114 PolarHBondContact O-N 3.33Å
113	A	56.9	Low	83.7	Confident	76 Å²	76	33 Å²	33	63%	0.628	19%	0.187	S	C	*	.			trans	-54.4	92.4	-174	0	0	0	0	0	111.7
114	V	61.6	Low	83.6	Confident	26 Å²	26	32.8 Å²	32.8	16%	0.158	19%	0.186	C	C	.	.			trans	-73.3	138.6	-178.8	-161.8	0	0	0	0	107.6	I110 T112 E116 L119 E213	I110-V114 WeakPolarHBondContact O-CG2 3.39Å; T112-V114 VanDerWaalsContact C-N 3.33Å; T112-V114 WeakPolarHBondContact O-CG2 3.5Å; T112-V114 PolarHBondContact O-N 3.33Å; V114-E116 PolarHBondContact O-N 3.38Å; V114-L119 HydrophobicContact CB-CD1 4.14Å; V114-L119 HydrophobicContact CG1-CD1 3.24Å; V114-L119 HydrophobicContact CG1-CG 4.06Å; V114-E213 WeakPolarHBondContact CG1-OE1 3.43Å
115	P	74.9	Confident	83.2	Confident	41 Å²	41	31.9 Å²	31.9	27%	0.266	18%	0.183	S	C	.	.			trans	-66	82.2	175.4	-19.1	32	0	0	0	110.7	V117 M118	P115-V117 PolarHBondContact O-N 3.09Å; P115-M118 HydrophobicContact CB-CB 4.42Å; P115-M118 HydrophobicContact CB-CE 4.23Å; P115-M118 HydrophobicContact CB-CG 4.08Å; P115-M118 HydrophobicContact CB-SD 3.98Å; P115-M118 HydrophobicContact CG-SD 4.49Å; P115-M118 PolarHBondContact O-N 3Å
116	E	80.3	Confident	82.7	Confident	93 Å²	93	32.7 Å²	32.7	44%	0.435	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-53.9	-31.4	-175	-71	-170.4	-153.3	0	0	112.5	V114 M118 L119 T124 K412	V114-E116 PolarHBondContact O-N 3.38Å; E116-M118 PolarHBondContact O-N 2.82Å; E116-L119 PolarHBondContact O-N 2.64Å; E116-T124 HydrophobicContact CB-CG2 4.31Å; E116-T124 HydrophobicContact CG-CG2 4.16Å; E116-K412 IonicContact OE2-NZ 3.36Å; E116-K412 PolarHBondContact OE2-NZ 3.24Å
117	V	84.9	Confident	82.1	Confident	26 Å²	26	35.4 Å²	35.4	16%	0.158	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-64	-17.6	177.3	-60.8	0	0	0	0	114.5	P115 Y370 K412 F478	P115-V117 PolarHBondContact O-N 3.09Å; V117-Y370 HydrophobicContact CG2-CD1 4.33Å; V117-Y370 HydrophobicContact CG2-CE1 4.37Å; V117-K412 HydrophobicContact CG1-CB 4.2Å; V117-F478 HydrophobicContact CB-CE1 4.11Å; V117-F478 HydrophobicContact CB-CZ 4.26Å; V117-F478 HydrophobicContact CG2-CZ 4.41Å
118	M	85.3	Confident	81.7	Confident	7 Å²	7	41.7 Å²	41.7	3%	0.034	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-104	-10.7	179.1	-57.7	-177.3	-169.5	0	0	113.1	P115 E116 W321 V372	P115-M118 HydrophobicContact CB-CB 4.42Å; P115-M118 HydrophobicContact CB-CE 4.23Å; P115-M118 HydrophobicContact CB-CG 4.08Å; P115-M118 HydrophobicContact CB-SD 3.98Å; P115-M118 HydrophobicContact CG-SD 4.49Å; P115-M118 PolarHBondContact O-N 3Å; E116-M118 PolarHBondContact O-N 2.82Å; M118-W321 HydrophobicContact CE-CB 3.78Å; M118-W321 HydrophobicContact CE-CD2 4.35Å; M118-W321 HydrophobicContact CE-CE3 3.75Å; M118-W321 HydrophobicContact CE-CG 4.43Å; M118-W321 HydrophobicContact CG-CD2 4.01Å; M118-W321 HydrophobicContact CG-CE3 3.57Å; M118-W321 HydrophobicContact CG-CZ3 3.82Å; M118-W321 HydrophobicContact SD-CB 3.77Å; M118-W321 HydrophobicContact SD-CD2 4.18Å; M118-W321 HydrophobicContact SD-CE3 3.99Å; M118-W321 HydrophobicContact SD-CG 4.15Å; M118-V372 HydrophobicContact SD-CG1 4.3Å
119	L	88.8	Confident	81.5	Confident	2 Å²	2	43.3 Å²	43.3	1%	0.01	24%	0.242	C	C	.	.	S	Bend	trans	-98.6	149.7	-173.6	-74.1	-171.7	0	0	0	112.5	V114 E116 F123 T124 E213	V114-L119 HydrophobicContact CB-CD1 4.14Å; V114-L119 HydrophobicContact CG1-CD1 3.24Å; V114-L119 HydrophobicContact CG1-CG 4.06Å; E116-L119 PolarHBondContact O-N 2.64Å; L119-F123 HydrophobicContact CD1-CD1 3.72Å; L119-F123 HydrophobicContact CD1-CE1 3.85Å; L119-T124 HydrophobicContact CB-CG2 3.48Å; L119-T124 VanDerWaalsContact CB-CG2 3.48Å; L119-T124 HydrophobicContact CD1-CG2 3.71Å; L119-T124 HydrophobicContact CG-CG2 4.26Å; L119-E213 WeakPolarHBondContact CD2-OE1 3.46Å
120	P	91	Very high	81.6	Confident	13 Å²	13	41.7 Å²	41.7	8%	0.084	23%	0.234	C	C	.	.			trans	-56.6	142.4	171.8	-26.1	35.5	0	0	0	112.2	W122 F123 T124 H523	P120-W122 VanDerWaalsContact C-N 3.29Å; P120-W122 HydrophobicContact CB-CD2 4.04Å; P120-W122 VanDerWaalsContact CB-CE2 3.45Å; P120-W122 HydrophobicContact CB-CG 4.22Å; P120-W122 HydrophobicContact CB-CZ2 3.83Å; P120-W122 VanDerWaalsContact CB-NE1 3.33Å; P120-W122 HydrophobicContact CG-CZ2 3.91Å; P120-W122 PolarHBondContact O-N 3.31Å; P120-F123 HydrophobicContact CB-CB 4.22Å; P120-F123 WeakPolarHBondContact O-CB 3.4Å; P120-F123 PolarHBondContact O-N 3.2Å; P120-T124 PolarHBondContact O-N 2.64Å; P120-T124 VanDerWaalsContact O-N 3.16Å; P120-T124 PolarHBondContact O-OG1 3.38Å; P120-H523 VanDerWaalsContact CA-O 3.31Å; P120-H523 WeakPolarHBondContact CA-O 3.43Å
121	V	89.6	Confident	81.9	Confident	9 Å²	9	42.6 Å²	42.6	6%	0.055	24%	0.243	C	C	.	.	H	α-helix	trans	-61.7	-40.1	-178.5	177.9	0	0	0	0	111.3	F123 T124 A125 L411 K515 A522 H523	V121-F123 PolarHBondContact O-N 2.98Å; V121-T124 PolarHBondContact O-N 2.95Å; V121-T124 PolarHBondContact O-OG1 3.07Å; V121-A125 WeakPolarHBondContact O-CB 3.23Å; V121-A125 PolarHBondContact O-N 3.39Å; V121-L411 HydrophobicContact CG2-CD2 4.21Å; V121-K515 HydrophobicContact CG1-CD 4.12Å; V121-K515 HydrophobicContact CG1-CG 3.82Å; V121-A522 HydrophobicContact CG2-CB 3.66Å; V121-H523 PolarHBondContact N-O 3.18Å
122	W	89.1	Confident	82.9	Confident	28 Å²	28	38 Å²	38	11%	0.106	23%	0.227	C	C	.	.	H	α-helix	trans	-63.8	-26.4	177.5	57.5	-101.4	0	0	0	113.4	P120 N126 G524 V527 L541 F542	P120-W122 VanDerWaalsContact C-N 3.29Å; P120-W122 HydrophobicContact CB-CD2 4.04Å; P120-W122 VanDerWaalsContact CB-CE2 3.45Å; P120-W122 HydrophobicContact CB-CG 4.22Å; P120-W122 HydrophobicContact CB-CZ2 3.83Å; P120-W122 VanDerWaalsContact CB-NE1 3.33Å; P120-W122 HydrophobicContact CG-CZ2 3.91Å; P120-W122 PolarHBondContact O-N 3.31Å; W122-N126 WeakPolarHBondContact O-CB 3.2Å; W122-N126 PolarHBondContact O-ND2 3.1Å; W122-G524 PolarHBondContact NE1-O 3.07Å; W122-G524 VanDerWaalsContact NE1-O 3.13Å; W122-V527 HydrophobicContact CZ2-CG1 4.38Å; W122-L541 HydrophobicContact CE3-CD1 4.13Å; W122-L541 HydrophobicContact CE3-CD2 4.35Å; W122-L541 HydrophobicContact CE3-CG 4.14Å; W122-L541 HydrophobicContact CZ3-CD1 4.23Å; W122-L541 HydrophobicContact CZ3-CD2 4.09Å; W122-L541 HydrophobicContact CZ3-CG 4.32Å; W122-F542 HydrophobicContact CB-CD1 4.06Å; W122-F542 HydrophobicContact CB-CE1 4.01Å; W122-F542 AromaticContact CD1-CE1 3.84Å; W122-F542 HydrophobicContact CD2-CD1 4.5Å; W122-F542 AromaticContact CD2-CE1 3.62Å; W122-F542 HydrophobicContact CD2-CE1 3.62Å; W122-F542 HydrophobicContact CD2-CZ 4.15Å; W122-F542 AromaticContact CE2-CE1 3.99Å; W122-F542 HydrophobicContact CE3-CE1 4.09Å; W122-F542 HydrophobicContact CE3-CZ 4.3Å; W122-F542 HydrophobicContact CG-CD1 4.12Å; W122-F542 AromaticContact CG-CE1 3.56Å; W122-F542 HydrophobicContact CG-CE1 3.56Å
123	F	89.9	Confident	84.2	Confident	4 Å²	4	39.4 Å²	39.4	2%	0.018	23%	0.227	C	C	.	.	H	α-helix	trans	-77.2	-52	178.2	-173.3	-76.7	0	0	0	110.5	L119 P120 V121 A125 N126 L127 V130 E213 M218	L119-F123 HydrophobicContact CD1-CD1 3.72Å; L119-F123 HydrophobicContact CD1-CE1 3.85Å; P120-F123 HydrophobicContact CB-CB 4.22Å; P120-F123 WeakPolarHBondContact O-CB 3.4Å; P120-F123 PolarHBondContact O-N 3.2Å; V121-F123 PolarHBondContact O-N 2.98Å; F123-A125 VanDerWaalsContact C-N 3.32Å; F123-A125 PolarHBondContact O-N 2.99Å; F123-N126 PolarHBondContact O-N 3.14Å; F123-L127 HydrophobicContact CD1-CD2 4.2Å; F123-L127 HydrophobicContact CE1-CD2 4.07Å; F123-V130 HydrophobicContact CD2-CG1 4.16Å; F123-V130 HydrophobicContact CD2-CG2 4.1Å; F123-V130 HydrophobicContact CE1-CG1 4.02Å; F123-V130 HydrophobicContact CE2-CG1 3.57Å; F123-V130 HydrophobicContact CE2-CG2 4.35Å; F123-V130 HydrophobicContact CG-CG2 4.26Å; F123-V130 HydrophobicContact CZ-CG1 3.51Å; F123-E213 HydrophobicContact CE1-CG 4.1Å; F123-E213 HydrophobicContact CZ-CB 4.45Å; F123-E213 HydrophobicContact CZ-CG 3.78Å; F123-M218 HydrophobicContact CD2-CE 4.29Å; F123-M218 HydrophobicContact CD2-SD 4.07Å; F123-M218 HydrophobicContact CE2-CE 3.86Å; F123-M218 HydrophobicContact CE2-SD 3.78Å
124	T	86.8	Confident	85.6	Confident	17 Å²	17	36.5 Å²	36.5	10%	0.104	20%	0.201	C	C	.	.	H	α-helix	trans	-68.7	-31.5	-178.7	51.5	0	0	0	0	112.7	E116 L119 P120 V121 L127	E116-T124 HydrophobicContact CB-CG2 4.31Å; E116-T124 HydrophobicContact CG-CG2 4.16Å; L119-T124 HydrophobicContact CB-CG2 3.48Å; L119-T124 VanDerWaalsContact CB-CG2 3.48Å; L119-T124 HydrophobicContact CD1-CG2 3.71Å; L119-T124 HydrophobicContact CG-CG2 4.26Å; P120-T124 PolarHBondContact O-N 2.64Å; P120-T124 VanDerWaalsContact O-N 3.16Å; P120-T124 PolarHBondContact O-OG1 3.38Å; V121-T124 PolarHBondContact O-N 2.95Å; V121-T124 PolarHBondContact O-OG1 3.07Å; T124-L127 WeakPolarHBondContact O-CG 3.36Å
125	A	84.6	Confident	86.4	Confident	35 Å²	35	41.4 Å²	41.4	29%	0.289	22%	0.222	S	C	.	.	H	α-helix	trans	-72.8	-31.8	178.9	0	0	0	0	0	112.2	V121 F123 M514	V121-A125 WeakPolarHBondContact O-CB 3.23Å; V121-A125 PolarHBondContact O-N 3.39Å; F123-A125 VanDerWaalsContact C-N 3.32Å; F123-A125 PolarHBondContact O-N 2.99Å; A125-M514 VanDerWaalsContact C-CE 3.41Å; A125-M514 HydrophobicContact CB-CB 4.03Å; A125-M514 HydrophobicContact CB-CE 3.49Å; A125-M514 VanDerWaalsContact CB-CE 3.49Å; A125-M514 HydrophobicContact CB-CG 4.47Å; A125-M514 HydrophobicContact CB-SD 3.7Å; A125-M514 WeakPolarHBondContact O-CE 3.4Å
126	N	84.7	Confident	86.8	Confident	18 Å²	18	47.3 Å²	47.3	10%	0.096	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	39.8	-173.3	-62.2	-70.8	0	0	0	113.2	W122 F123 D128 I129 V130 M514 L541	W122-N126 WeakPolarHBondContact O-CB 3.2Å; W122-N126 PolarHBondContact O-ND2 3.1Å; F123-N126 PolarHBondContact O-N 3.14Å; N126-D128 PolarHBondContact O-N 3.3Å; N126-D128 VanDerWaalsContact O-N 3.12Å; N126-I129 HydrophobicContact CB-CB 4.28Å; N126-I129 HydrophobicContact CB-CG1 4.47Å; N126-I129 PolarHBondContact O-N 2.88Å; N126-V130 WeakPolarHBondContact O-CG2 3.39Å; N126-V130 PolarHBondContact O-N 2.94Å; N126-M514 WeakPolarHBondContact OD1-CE 3.28Å; N126-M514 PolarHBondContact OD1-SD 3.16Å; N126-M514 VanDerWaalsContact OD1-SD 3.36Å; N126-L541 PolarHBondContact ND2-O 2.88Å
127	L	85.3	Confident	87.4	Confident	60 Å²	60	46.1 Å²	46.1	31%	0.314	25%	0.246	S	C	.	.	H	α-helix	trans	-54.2	-34.8	-176.6	-72.8	175.1	0	0	0	113.5	F123 T124 I129 V130 A131	F123-L127 HydrophobicContact CD1-CD2 4.2Å; F123-L127 HydrophobicContact CE1-CD2 4.07Å; T124-L127 WeakPolarHBondContact O-CG 3.36Å; L127-I129 VanDerWaalsContact C-N 3.34Å; L127-I129 PolarHBondContact O-N 3.36Å; L127-V130 PolarHBondContact O-N 2.94Å; L127-A131 VanDerWaalsContact O-CB 3.29Å; L127-A131 WeakPolarHBondContact O-CB 3.49Å; L127-A131 PolarHBondContact O-N 2.7Å
128	D	87	Confident	87.9	Confident	144 Å²	144	48.7 Å²	48.7	77%	0.77	26%	0.259	S	S	*	.	H	α-helix	trans	-62.6	-39.6	176.4	-68.9	-26.2	0	0	0	112.4	N126 T132	N126-D128 PolarHBondContact O-N 3.3Å; N126-D128 VanDerWaalsContact O-N 3.12Å; D128-T132 WeakPolarHBondContact O-CG2 3.29Å
129	I	89.3	Confident	88.4	Confident	50 Å²	50	49.8 Å²	49.8	26%	0.256	26%	0.264	S	S	.	.	H	α-helix	trans	-75	-44.2	176.8	-58.6	-58.3	0	0	0	110	N126 L127 A131 T132 Y133 D540 L541	N126-I129 HydrophobicContact CB-CB 4.28Å; N126-I129 HydrophobicContact CB-CG1 4.47Å; N126-I129 PolarHBondContact O-N 2.88Å; L127-I129 VanDerWaalsContact C-N 3.34Å; L127-I129 PolarHBondContact O-N 3.36Å; I129-A131 PolarHBondContact O-N 2.79Å; I129-T132 WeakPolarHBondContact O-CA 3.45Å; I129-T132 WeakPolarHBondContact O-CB 3.29Å; I129-T132 PolarHBondContact O-N 2.8Å; I129-T132 PolarHBondContact O-OG1 3.46Å; I129-Y133 HydrophobicContact CG2-CE2 4.08Å; I129-Y133 WeakPolarHBondContact O-CD2 3.41Å; I129-D540 HydrophobicContact CD1-CB 4.32Å; I129-D540 HydrophobicContact CG2-CB 4Å; I129-L541 HydrophobicContact CG2-CB 4.48Å; I129-L541 HydrophobicContact CG2-CD1 4.38Å
130	V	88.7	Confident	88.9	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-56	-40.2	175.1	169.6	0	0	0	0	110.9	F123 N126 L127 T132 Y133 I134 M218 L541	F123-V130 HydrophobicContact CD2-CG1 4.16Å; F123-V130 HydrophobicContact CD2-CG2 4.1Å; F123-V130 HydrophobicContact CE1-CG1 4.02Å; F123-V130 HydrophobicContact CE2-CG1 3.57Å; F123-V130 HydrophobicContact CE2-CG2 4.35Å; F123-V130 HydrophobicContact CG-CG2 4.26Å; F123-V130 HydrophobicContact CZ-CG1 3.51Å; N126-V130 WeakPolarHBondContact O-CG2 3.39Å; N126-V130 PolarHBondContact O-N 2.94Å; L127-V130 PolarHBondContact O-N 2.94Å; V130-T132 PolarHBondContact O-N 2.89Å; V130-Y133 WeakPolarHBondContact O-CB 3.36Å; V130-Y133 PolarHBondContact O-N 3.46Å; V130-I134 HydrophobicContact CG1-CD1 3.56Å; V130-I134 PolarHBondContact O-N 2.84Å; V130-M218 HydrophobicContact CG1-SD 4.17Å; V130-M218 HydrophobicContact CG2-SD 4.47Å; V130-L541 HydrophobicContact CG2-CD1 3.77Å
131	A	89.2	Confident	89.2	Confident	31 Å²	31	51.2 Å²	51.2	26%	0.256	27%	0.272	S	S	.	.	H	α-helix	trans	-57.9	-29.7	175	0	0	0	0	0	112.8	I110 L127 I129 Y133 I134 Q135	I110-A131 HydrophobicContact CD1-CB 3.71Å; L127-A131 VanDerWaalsContact O-CB 3.29Å; L127-A131 WeakPolarHBondContact O-CB 3.49Å; L127-A131 PolarHBondContact O-N 2.7Å; I129-A131 PolarHBondContact O-N 2.79Å; A131-Y133 VanDerWaalsContact C-N 3.33Å; A131-I134 PolarHBondContact O-N 3.24Å; A131-Q135 WeakPolarHBondContact O-CG 3.35Å; A131-Q135 PolarHBondContact O-N 2.99Å
132	T	90.7	Very high	89.6	Confident	70 Å²	70	50.9 Å²	50.9	43%	0.429	27%	0.269	S	S	.	.	H	α-helix	trans	-69	-29.7	175.9	73.9	0	0	0	0	113.2	D128 I129 V130 I134 Q135	D128-T132 WeakPolarHBondContact O-CG2 3.29Å; I129-T132 WeakPolarHBondContact O-CA 3.45Å; I129-T132 WeakPolarHBondContact O-CB 3.29Å; I129-T132 PolarHBondContact O-N 2.8Å; I129-T132 PolarHBondContact O-OG1 3.46Å; V130-T132 PolarHBondContact O-N 2.89Å; T132-I134 VanDerWaalsContact C-N 3.34Å; T132-Q135 WeakPolarHBondContact O-CG 3.26Å
133	Y	89.1	Confident	90	Very high	78 Å²	78	50.4 Å²	50.4	31%	0.306	27%	0.267	S	S	.	.	H	α-helix	trans	-79.5	-18.6	175.1	-71.5	-90.1	0	0	0	112.9	V105 I129 V130 A131 M218	V105-Y133 WeakPolarHBondContact CG1-O 3.29Å; I129-Y133 HydrophobicContact CG2-CE2 4.08Å; I129-Y133 WeakPolarHBondContact O-CD2 3.41Å; V130-Y133 WeakPolarHBondContact O-CB 3.36Å; V130-Y133 PolarHBondContact O-N 3.46Å; A131-Y133 VanDerWaalsContact C-N 3.33Å; Y133-M218 HydrophobicContact CD1-CG 4.07Å; Y133-M218 HydrophobicContact CD2-CG 4.17Å; Y133-M218 HydrophobicContact CG-CG 3.75Å
134	I	86.8	Confident	90.4	Very high	15 Å²	15	50.2 Å²	50.2	8%	0.077	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	9.3	-175.2	-61.4	166.2	0	0	0	111.6	V105 Q108 I110 V130 A131 T132	V105-I134 HydrophobicContact CG2-CB 4.33Å; V105-I134 HydrophobicContact CG2-CG2 4.06Å; Q108-I134 HydrophobicContact CG-CG2 3.51Å; I110-I134 HydrophobicContact CD1-CD1 4.38Å; I110-I134 HydrophobicContact CG2-CD1 3.65Å; V130-I134 HydrophobicContact CG1-CD1 3.56Å; V130-I134 PolarHBondContact O-N 2.84Å; A131-I134 PolarHBondContact O-N 3.24Å; T132-I134 VanDerWaalsContact C-N 3.34Å
135	Q	79.3	Confident	91	Very high	128 Å²	128	49.4 Å²	49.4	60%	0.598	26%	0.262	S	S	*	.			trans	-62	143.1	179.6	-65	-178.1	1.3	0	0	111.6	A131 T132	A131-Q135 WeakPolarHBondContact O-CG 3.35Å; A131-Q135 PolarHBondContact O-N 2.99Å; T132-Q135 WeakPolarHBondContact O-CG 3.26Å
136	E	82.9	Confident	91.6	Very high	165 Å²	165	47.7 Å²	47.7	77%	0.771	25%	0.248	S	C	*	.	S	Bend	trans	56.2	58.3	175.3	-56.1	-177.8	175.8	0	0	114.6
137	P	91.9	Very high	92.3	Very high	68 Å²	68	47 Å²	47	44%	0.442	24%	0.244	S	C	.	.			trans	-61.3	143.4	178.9	24.5	-32.6	0	0	0	112.3	V105 P107	V105-P137 HydrophobicContact CG2-CB 4.46Å; V105-P137 WeakPolarHBondContact O-CA 3.46Å; P107-P137 HydrophobicContact CB-CB 4.44Å
138	N	95.7	Very high	92.9	Very high	80 Å²	80	44.8 Å²	44.8	43%	0.428	23%	0.233	S	C	.	.			trans	-142	145.5	177.7	-159	-53	0	0	0	110.4	P104 V105 P107 D140 C141	P104-N138 HydrophobicContact CB-CB 3.59Å; P104-N138 HydrophobicContact CG-CB 4.21Å; V105-N138 PolarHBondContact O-N 2.94Å; P107-N138 WeakPolarHBondContact CD-O 3.46Å; N138-D140 PolarHBondContact O-N 3.38Å; N138-D140 PolarHBondContact OD1-N 3.28Å; N138-C141 WeakPolarHBondContact O-CB 3.4Å
139	E	97.1	Very high	93.2	Very high	30 Å²	30	38.2 Å²	38.2	14%	0.14	20%	0.198	C	C	.	.	S	Bend	trans	-65.9	-26.5	173.3	-74.2	178.3	-121.2	0	0	112.7	P78 I79 R83 P107 C141 L242 A357	P78-E139 WeakPolarHBondContact CD-O 3.06Å; P78-E139 WeakPolarHBondContact CG-O 3.35Å; I79-E139 HydrophobicContact CG2-CB 3.61Å; R83-E139 IonicContact CZ-OE1 2.78Å; R83-E139 IonicContact CZ-OE2 3.42Å; R83-E139 VanDerWaalsContact CZ-OE2 3.29Å; R83-E139 IonicContact NE-OE1 3.07Å; R83-E139 IonicContact NE-OE2 3.89Å; R83-E139 PolarHBondContact NE-OE2 3.31Å; R83-E139 IonicContact NH2-OE1 2.76Å; R83-E139 PolarHBondContact NH2-OE1 3.08Å; R83-E139 IonicContact NH2-OE2 2.71Å; R83-E139 PolarHBondContact NH2-OE2 2.87Å; P107-E139 HydrophobicContact CG-CG 3.9Å; E139-C141 VanDerWaalsContact C-N 3.26Å; E139-C141 PolarHBondContact O-N 3.08Å; E139-L242 HydrophobicContact CG-CD1 3.99Å; E139-A357 HydrophobicContact CG-CB 3.63Å; E139-A357 WeakPolarHBondContact OE1-CB 3.37Å
140	D	97.3	Very high	93.2	Very high	46 Å²	46	36.5 Å²	36.5	25%	0.246	19%	0.19	C	C	.	.			trans	-74.3	82.7	164.2	-175.7	6.2	0	0	0	109.5	P77 N138 Y143	P77-D140 HydrophobicContact CB-CB 4Å; P77-D140 HydrophobicContact CG-CB 4.36Å; N138-D140 PolarHBondContact O-N 3.38Å; N138-D140 PolarHBondContact OD1-N 3.28Å; D140-Y143 VanDerWaalsContact CG-OH 3.28Å; D140-Y143 WeakPolarHBondContact O-CE2 3.37Å; D140-Y143 VanDerWaalsContact OD1-CE2 3.27Å; D140-Y143 WeakPolarHBondContact OD1-CE2 3.01Å; D140-Y143 PolarHBondContact OD1-OH 3.43Å; D140-Y143 PolarHBondContact OD2-OH 3.01Å; D140-Y143 VanDerWaalsContact OD2-OH 3.1Å
141	C	97.6	Very high	92.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.212	C	C	.	.			trans	-130.2	3.1	-175.9	66.7	0	0	0	0	115	C106 N138 E139 Y143 N236	C106-C141 VanDerWaalsContact CA-CB 3.46Å; C106-C141 WeakPolarHBondContact CA-SG 3.47Å; C106-C141 HydrophobicContact CB-CB 3.8Å; C106-C141 WeakPolarHBondContact CB-SG 3.33Å; C106-C141 VanDerWaalsContact N-CB 3.34Å; C106-C141 WeakPolarHBondContact SG-CB 3.44Å; C106-C141 CovalentContact SG-SG 2.04Å; C106-C141 PolarHBondContact SG-SG 3.43Å; N138-C141 WeakPolarHBondContact O-CB 3.4Å; E139-C141 VanDerWaalsContact C-N 3.26Å; E139-C141 PolarHBondContact O-N 3.08Å; C141-Y143 VanDerWaalsContact C-N 3.27Å; C141-Y143 PolarHBondContact O-N 3.33Å; C141-N236 WeakPolarHBondContact O-CB 3.38Å
142	L	98.3	Very high	90.4	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	22%	0.217	C	C	.	.			trans	-79.4	73.3	-175.3	-57.1	-171.7	0	0	0	112.3	Y74 A75 P78 P87 R238 D260	Y74-L142 WeakPolarHBondContact CD1-O 3.28Å; Y74-L142 HydrophobicContact CE1-CB 4.18Å; Y74-L142 HydrophobicContact CE2-CB 4.18Å; Y74-L142 PolarHBondContact N-O 3.18Å; Y74-L142 WeakPolarHBondContact OH-CD2 3.23Å; A75-L142 HydrophobicContact CB-CB 3.92Å; A75-L142 HydrophobicContact CB-CD1 3.59Å; A75-L142 HydrophobicContact CB-CG 4.42Å; P78-L142 HydrophobicContact CB-CD1 4.27Å; P78-L142 HydrophobicContact CG-CD1 3.85Å; P78-L142 HydrophobicContact CG-CD2 4.5Å; P78-L142 HydrophobicContact CG-CG 3.97Å; P87-L142 HydrophobicContact CB-CD1 4.09Å; L142-R238 HydrophobicContact CD2-CG 4.13Å; L142-D260 HydrophobicContact CD2-CB 4.21Å; L142-D260 WeakPolarHBondContact CD2-OD2 3.37Å
143	Y	98.2	Very high	88.3	Confident	18 Å²	18	41.9 Å²	41.9	7%	0.071	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	153.8	-177.5	-61.3	-88.5	0	0	0	112.5	G71 V72 P73 Y74 P103 D140 C141 N236	G71-Y143 WeakPolarHBondContact O-CD1 3.48Å; V72-Y143 CarbonylContact O-C 3.51Å; V72-Y143 WeakPolarHBondContact O-CA 3.37Å; P73-Y143 HydrophobicContact CB-CD1 3.99Å; P73-Y143 HydrophobicContact CB-CE1 3.78Å; P73-Y143 HydrophobicContact CG-CE1 4.45Å; Y74-Y143 VanDerWaalsContact CD1-C 3.48Å; Y74-Y143 VanDerWaalsContact CE1-N 3.31Å; Y74-Y143 WeakPolarHBondContact CE1-O 3.36Å; P103-Y143 HydrophobicContact CB-CD1 4.15Å; P103-Y143 HydrophobicContact CB-CD2 3.54Å; P103-Y143 HydrophobicContact CB-CE1 4.46Å; P103-Y143 HydrophobicContact CB-CE2 3.94Å; P103-Y143 HydrophobicContact CB-CG 3.71Å; P103-Y143 VanDerWaalsContact CG-CB 3.4Å; P103-Y143 HydrophobicContact CG-CD1 4.18Å; P103-Y143 HydrophobicContact CG-CD2 3.62Å; P103-Y143 HydrophobicContact CG-CE2 4.49Å; P103-Y143 HydrophobicContact CG-CG 3.47Å; P103-Y143 VanDerWaalsContact CG-CG 3.47Å; D140-Y143 VanDerWaalsContact CG-OH 3.28Å; D140-Y143 WeakPolarHBondContact O-CE2 3.37Å; D140-Y143 VanDerWaalsContact OD1-CE2 3.27Å; D140-Y143 WeakPolarHBondContact OD1-CE2 3.01Å; D140-Y143 PolarHBondContact OD1-OH 3.43Å; D140-Y143 PolarHBondContact OD2-OH 3.01Å; D140-Y143 VanDerWaalsContact OD2-OH 3.1Å; C141-Y143 VanDerWaalsContact C-N 3.27Å; C141-Y143 PolarHBondContact O-N 3.33Å; Y143-N236 PolarHBondContact O-N 3.48Å
144	L	98.4	Very high	86.2	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	162	172.7	61.7	81.2	0	0	0	111.6	G71 V72 Y74 V146 I233 T234 L235 A264 W267 V268	G71-L144 PolarHBondContact N-O 3.48Å; V72-L144 HydrophobicContact CB-CD1 3.85Å; V72-L144 HydrophobicContact CB-CG 4.37Å; V72-L144 HydrophobicContact CG1-CD1 4.31Å; V72-L144 HydrophobicContact CG2-CD1 4.44Å; V72-L144 PolarHBondContact N-O 2.86Å; V72-L144 PolarHBondContact O-N 2.89Å; Y74-L144 HydrophobicContact CD1-CB 4.02Å; Y74-L144 HydrophobicContact CD1-CD2 3.91Å; Y74-L144 HydrophobicContact CD1-CG 4.04Å; Y74-L144 HydrophobicContact CG-CD2 4.04Å; L144-V146 HydrophobicContact CD1-CG2 3.49Å; L144-V146 VanDerWaalsContact CD1-CG2 3.49Å; L144-I233 HydrophobicContact CB-CG2 4.18Å; L144-I233 HydrophobicContact CD1-CG2 4.19Å; L144-T234 CarbonylContact C-O 3.59Å; L144-T234 VanDerWaalsContact CA-O 3.28Å; L144-T234 WeakPolarHBondContact CA-O 3.44Å; L144-T234 WeakPolarHBondContact CB-O 2.74Å; L144-L235 HydrophobicContact CB-CB 3.92Å; L144-A264 HydrophobicContact CD2-CB 4.45Å; L144-W267 HydrophobicContact CD1-CE3 4.2Å; L144-W267 HydrophobicContact CD1-CH2 4.14Å; L144-W267 HydrophobicContact CD1-CZ3 3.75Å; L144-W267 HydrophobicContact CD2-CD2 4.13Å; L144-W267 HydrophobicContact CD2-CE3 3.59Å; L144-W267 HydrophobicContact CD2-CZ3 4.01Å; L144-W267 HydrophobicContact CG-CE3 4.46Å; L144-W267 HydrophobicContact CG-CZ3 4.47Å; L144-V268 HydrophobicContact CD2-CG2 4.28Å
145	N	98.5	Very high	84.1	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	130.5	-179.8	-51	-58.2	0	0	0	108.8	Y69 L70 G71 F102 Y147 N217 I233 T234	Y69-N145 CarbonylContact O-C 3.59Å; Y69-N145 WeakPolarHBondContact O-CA 3.34Å; L70-N145 WeakPolarHBondContact CA-OD1 3.4Å; L70-N145 HydrophobicContact CD2-CB 3.98Å; G71-N145 PolarHBondContact N-OD1 3.29Å; F102-N145 WeakPolarHBondContact CD1-OD1 3.36Å; F102-N145 HydrophobicContact CE1-CB 4.42Å; N145-Y147 HydrophobicContact CB-CE2 3.89Å; N145-N217 PolarHBondContact ND2-OD1 2.87Å; N145-I233 CarbonylContact O-C 3.52Å; N145-I233 VanDerWaalsContact O-CA 3.22Å; N145-I233 WeakPolarHBondContact O-CA 3.33Å; N145-T234 PolarHBondContact N-O 2.96Å; N145-T234 PolarHBondContact ND2-OG1 3.11Å; N145-T234 PolarHBondContact O-N 3.2Å
146	V	98.5	Very high	82.6	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	126	-178.3	-171	0	0	0	0	110.2	Q68 Y69 L144 V148 I231 I233 I272 F275	Q68-V146 WeakPolarHBondContact CA-O 3.45Å; Y69-V146 HydrophobicContact CD2-CB 4.49Å; Y69-V146 PolarHBondContact N-O 2.82Å; Y69-V146 PolarHBondContact O-N 2.97Å; L144-V146 HydrophobicContact CD1-CG2 3.49Å; L144-V146 VanDerWaalsContact CD1-CG2 3.49Å; V146-V148 HydrophobicContact CG1-CG2 3.81Å; V146-I231 HydrophobicContact CG1-CG2 3.69Å; V146-I233 HydrophobicContact CG1-CG1 4.35Å; V146-I233 HydrophobicContact CG2-CG1 4.43Å; V146-I272 HydrophobicContact CG1-CD1 4.14Å; V146-F275 HydrophobicContact CG1-CD1 4.05Å; V146-F275 HydrophobicContact CG1-CE1 4.47Å; V146-F275 HydrophobicContact CG1-CG 4.34Å
147	Y	98.4	Very high	81	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.008	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	109.4	178.8	-59.4	-94.6	0	0	0	109.5	V66 Q68 L70 N145 D220 S222 I231 V232 T234	V66-Y147 HydrophobicContact CG1-CD1 4.5Å; Q68-Y147 HydrophobicContact CG-CD1 3.86Å; Q68-Y147 HydrophobicContact CG-CE1 4.12Å; L70-Y147 HydrophobicContact CD2-CE1 4.27Å; N145-Y147 HydrophobicContact CB-CE2 3.89Å; Y147-D220 WeakPolarHBondContact CE1-OD1 3.48Å; Y147-S222 VanDerWaalsContact CD1-OG 3.24Å; Y147-S222 WeakPolarHBondContact CD1-OG 3.41Å; Y147-I231 WeakPolarHBondContact O-CA 3.32Å; Y147-V232 WeakPolarHBondContact CD2-O 3.12Å; Y147-V232 PolarHBondContact N-O 3.49Å; Y147-V232 PolarHBondContact O-N 3.48Å; Y147-V232 VanDerWaalsContact O-N 3.07Å; Y147-T234 HydrophobicContact CE2-CG2 4.27Å
148	V	97.2	Very high	79	Confident	15 Å²	15	44.3 Å²	44.3	9%	0.091	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	120.3	-174.2	-173.7	0	0	0	0	110.3	V66 D67 Y69 V146 I231 F275	V66-V148 CarbonylContact C-O 3.54Å; V66-V148 WeakPolarHBondContact CA-O 3.28Å; V66-V148 WeakPolarHBondContact CG1-O 3.18Å; D67-V148 HydrophobicContact CB-CB 4.29Å; D67-V148 PolarHBondContact N-O 3.39Å; D67-V148 PolarHBondContact O-N 3.41Å; Y69-V148 HydrophobicContact CD2-CG2 4.41Å; Y69-V148 HydrophobicContact CE2-CG2 4.21Å; V146-V148 HydrophobicContact CG1-CG2 3.81Å; V148-I231 HydrophobicContact CG1-CD1 4.39Å; V148-I231 HydrophobicContact CG1-CG1 4.35Å; V148-I231 HydrophobicContact CG2-CD1 4.38Å; V148-I231 HydrophobicContact CG2-CG1 4.47Å; V148-I231 HydrophobicContact CG2-CG2 4.44Å; V148-F275 WeakPolarHBondContact CG1-O 3.44Å; V148-F275 HydrophobicContact CG2-CB 4.11Å; V148-F275 HydrophobicContact CG2-CD1 4.22Å
149	P	94.7	Very high	76.9	Confident	6 Å²	6	42.9 Å²	42.9	4%	0.039	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	134.5	178.3	29.1	-32.5	0	0	0	110.6	K200 A225 V230	P149-K200 HydrophobicContact CG-CD 3.72Å; P149-A225 WeakPolarHBondContact CB-O 3.37Å; P149-V230 VanDerWaalsContact CD-O 3.24Å; P149-V230 WeakPolarHBondContact CD-O 3.34Å; P149-V230 WeakPolarHBondContact CG-O 3.36Å
150	T	88	Confident	74.8	Confident	13 Å²	13	43.2 Å²	43.2	8%	0.08	21%	0.212	C	C	.	.			trans	-78.9	152.1	174.7	76.7	0	0	0	0	111.1	P65 D152	P65-T150 HydrophobicContact CG-CG2 4.23Å; P65-T150 WeakPolarHBondContact CG-OG1 3.24Å; P65-T150 WeakPolarHBondContact O-CG2 3.19Å; P65-T150 PolarHBondContact O-N 2.99Å; P65-T150 PolarHBondContact O-OG1 2.89Å; T150-D152 PolarHBondContact O-N 2.84Å; T150-D152 VanDerWaalsContact O-N 3.09Å; T150-D152 PolarHBondContact OG1-OD2 3.43Å; T150-D152 VanDerWaalsContact OG1-OD2 3.09Å
151	E	65.9	Low	73.1	Confident	98 Å²	98	45.1 Å²	45.1	46%	0.458	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	1.5	179.4	-64.2	-158.6	122.2	0	0	114.4	V153 K154	E151-V153 PolarHBondContact O-N 2.95Å; E151-K154 HydrophobicContact CB-CD 4.47Å; E151-K154 WeakPolarHBondContact O-CB 3.43Å; E151-K154 PolarHBondContact O-N 3.5Å; E151-K154 IonicContact OE1-NZ 2.69Å; E151-K154 PolarHBondContact OE1-NZ 3.18Å; E151-K154 IonicContact OE2-NZ 3.53Å
152	D	53.3	Low	71.3	Confident	68 Å²	68	55.3 Å²	55.3	36%	0.364	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-13.7	-170.8	-70.5	-48.5	0	0	0	114.1	T150 K154 R155	T150-D152 PolarHBondContact O-N 2.84Å; T150-D152 VanDerWaalsContact O-N 3.09Å; T150-D152 PolarHBondContact OG1-OD2 3.43Å; T150-D152 VanDerWaalsContact OG1-OD2 3.09Å; D152-K154 PolarHBondContact O-N 3.23Å; D152-R155 WeakPolarHBondContact O-CB 3.35Å; D152-R155 PolarHBondContact O-N 3.47Å
153	V	47.4	Very low	69.4	Low	48 Å²	48	61.1 Å²	61.1	29%	0.291	30%	0.298	S	S	.	.	H	α-helix	trans	-60.9	-31.8	170.8	-174.9	0	0	0	0	111.6	E151 R155 I156 S157	E151-V153 PolarHBondContact O-N 2.95Å; V153-R155 PolarHBondContact O-N 2.96Å; V153-R155 VanDerWaalsContact O-N 3.13Å; V153-I156 PolarHBondContact O-N 3.48Å; V153-S157 PolarHBondContact O-N 2.87Å
154	K	43.9	Very low	67.5	Low	78 Å²	78	64 Å²	64	34%	0.339	32%	0.319	S	S	.	.	H	α-helix	trans	-57.7	-28.1	175.2	-73	178.5	176.3	169	0	112	E151 D152 K158	E151-K154 HydrophobicContact CB-CD 4.47Å; E151-K154 WeakPolarHBondContact O-CB 3.43Å; E151-K154 PolarHBondContact O-N 3.5Å; E151-K154 IonicContact OE1-NZ 2.69Å; E151-K154 PolarHBondContact OE1-NZ 3.18Å; E151-K154 IonicContact OE2-NZ 3.53Å; D152-K154 PolarHBondContact O-N 3.23Å; K154-K158 WeakPolarHBondContact O-CB 3.49Å; K154-K158 WeakPolarHBondContact O-CG 3.34Å
155	R	42.6	Very low	65.6	Low	181 Å²	181	69.9 Å²	69.9	68%	0.683	35%	0.35	S	S	*	.	H	α-helix	trans	-83.9	-40.2	-177.2	-155.9	174.9	-170.5	170.1	4.6	111.7	D152 V153 E159	D152-R155 WeakPolarHBondContact O-CB 3.35Å; D152-R155 PolarHBondContact O-N 3.47Å; V153-R155 PolarHBondContact O-N 2.96Å; V153-R155 VanDerWaalsContact O-N 3.13Å; R155-E159 WeakPolarHBondContact O-CB 3.41Å; R155-E159 PolarHBondContact O-N 2.89Å
156	I	48.6	Very low	63.6	Low	62 Å²	62	74.1 Å²	74.1	32%	0.318	37%	0.369	S	S	.	.	H	α-helix	trans	-74.1	-41.6	-175.9	-59.7	173.9	0	0	0	111.2	V153 E159 C160	V153-I156 PolarHBondContact O-N 3.48Å; I156-E159 PolarHBondContact O-N 3.2Å; I156-C160 WeakPolarHBondContact O-CB 3.34Å; I156-C160 PolarHBondContact O-N 3.25Å; I156-C160 PolarHBondContact O-SG 2.97Å
157	S	48.6	Very low	61.8	Low	70 Å²	70	83.6 Å²	83.6	49%	0.49	41%	0.41	S	S	.	.	H	α-helix	trans	-67.7	-46	177.6	77.4	0	0	0	0	112	V153 E159 C160 A161	V153-S157 PolarHBondContact O-N 2.87Å; S157-E159 VanDerWaalsContact C-N 3.3Å; S157-E159 PolarHBondContact O-N 3.14Å; S157-C160 PolarHBondContact O-N 2.96Å; S157-A161 WeakPolarHBondContact O-CB 3.48Å; S157-A161 PolarHBondContact O-N 3.2Å
158	K	49.8	Very low	59.6	Low	114 Å²	114	88.1 Å²	88.1	50%	0.496	43%	0.434	S	S	.	.	H	α-helix	trans	-64.7	-33.5	175.5	-73.2	-175.7	176.6	-179.4	0	112.3	K154 R162	K154-K158 WeakPolarHBondContact O-CB 3.49Å; K154-K158 WeakPolarHBondContact O-CG 3.34Å; K158-R162 VanDerWaalsContact O-CB 3.27Å; K158-R162 WeakPolarHBondContact O-CB 3.25Å; K158-R162 WeakPolarHBondContact O-CG 3.49Å; K158-R162 PolarHBondContact O-N 2.67Å
159	E	52.1	Low	57.6	Low	51 Å²	51	89 Å²	89	24%	0.238	44%	0.44	C	S	.	.	H	α-helix	trans	-74.2	-35.7	176.4	-168.8	105.8	-145.6	0	0	112.1	R155 I156 S157 K163 K166	R155-E159 WeakPolarHBondContact O-CB 3.41Å; R155-E159 PolarHBondContact O-N 2.89Å; I156-E159 PolarHBondContact O-N 3.2Å; S157-E159 VanDerWaalsContact C-N 3.3Å; S157-E159 PolarHBondContact O-N 3.14Å; E159-K163 CarbonylContact O-C 3.56Å; E159-K163 WeakPolarHBondContact O-CA 3.31Å; E159-K163 WeakPolarHBondContact O-CB 3.41Å; E159-K163 PolarHBondContact O-N 3Å; E159-K166 HydrophobicContact CG-CD 3.71Å; E159-K166 IonicContact OE1-NZ 3.57Å; E159-K166 PolarHBondContact OE1-NZ 3.03Å; E159-K166 IonicContact OE2-NZ 2.68Å; E159-K166 PolarHBondContact OE2-NZ 3.25Å
160	C	54.2	Low	55.3	Low	36 Å²	36	96.9 Å²	96.9	24%	0.243	47%	0.469	C	S	.	.	H	α-helix	trans	-74.7	-31.5	173	-69.9	0	0	0	0	113.1	I156 S157 P164 C169	I156-C160 WeakPolarHBondContact O-CB 3.34Å; I156-C160 PolarHBondContact O-N 3.25Å; I156-C160 PolarHBondContact O-SG 2.97Å; S157-C160 PolarHBondContact O-N 2.96Å; C160-P164 WeakPolarHBondContact O-CA 3.49Å; C160-C169 WeakPolarHBondContact CA-SG 3.32Å; C160-C169 HydrophobicContact CB-CB 3.84Å; C160-C169 WeakPolarHBondContact CB-SG 3.47Å; C160-C169 WeakPolarHBondContact SG-CB 3.21Å; C160-C169 CovalentContact SG-SG 2.05Å; C160-C169 PolarHBondContact SG-SG 3.4Å
161	A	61.1	Low	53	Low	86 Å²	86	104.9 Å²	104.9	71%	0.711	50%	0.502	S	S	*	.	H	α-helix	trans	-66.8	-42.3	169.7	0	0	0	0	0	111.7	S157	S157-A161 WeakPolarHBondContact O-CB 3.48Å; S157-A161 PolarHBondContact O-N 3.2Å
162	R	60.4	Low	51.4	Low	215 Å²	215	104.5 Å²	104.5	81%	0.811	53%	0.525	S	S	*	.	H	α-helix	trans	-76.7	-32.8	177.2	-79.2	-179.1	158.3	166.8	-3.8	114.2	K158	K158-R162 VanDerWaalsContact O-CB 3.27Å; K158-R162 WeakPolarHBondContact O-CB 3.25Å; K158-R162 WeakPolarHBondContact O-CG 3.49Å; K158-R162 PolarHBondContact O-N 2.67Å
163	K	58.3	Low	50.4	Low	122 Å²	122	104.2 Å²	104.2	53%	0.53	54%	0.538	S	S	.	.			trans	-141.2	73.4	-172.2	-66.8	-177.4	-178.9	172.8	0	110.7	E159 N165 K166	E159-K163 CarbonylContact O-C 3.56Å; E159-K163 WeakPolarHBondContact O-CA 3.31Å; E159-K163 WeakPolarHBondContact O-CB 3.41Å; E159-K163 PolarHBondContact O-N 3Å; K163-N165 PolarHBondContact O-N 3.26Å; K163-K166 PolarHBondContact O-N 3.33Å
164	P	57.8	Low	49.5	Very low	79 Å²	79	108.5 Å²	108.5	51%	0.513	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59.3	-19.6	179	21.8	-32.7	0	0	0	113.4	C160 C169	C160-P164 WeakPolarHBondContact O-CA 3.49Å; P164-C169 CarbonylContact O-C 3.55Å; P164-C169 WeakPolarHBondContact O-CB 3.27Å
165	N	57.9	Low	48.9	Very low	123 Å²	123	108.3 Å²	108.3	66%	0.658	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	2.3	179.6	-72.3	-32.5	0	0	0	115.1	K163 R170	K163-N165 PolarHBondContact O-N 3.26Å; N165-R170 PolarHBondContact O-NE 3.42Å; N165-R170 PolarHBondContact O-NH2 3.23Å
166	K	57.5	Low	48.6	Very low	90 Å²	90	105.1 Å²	105.1	39%	0.391	60%	0.603	S	S	.	*	S	Bend	trans	-70.4	146.4	176.3	-131.2	177.3	179.1	-176.4	0	109.5	E159 K163 I168 C169 R170	E159-K166 HydrophobicContact CG-CD 3.71Å; E159-K166 IonicContact OE1-NZ 3.57Å; E159-K166 PolarHBondContact OE1-NZ 3.03Å; E159-K166 IonicContact OE2-NZ 2.68Å; E159-K166 PolarHBondContact OE2-NZ 3.25Å; K163-K166 PolarHBondContact O-N 3.33Å; K166-I168 HydrophobicContact CB-CG2 4.44Å; K166-I168 PolarHBondContact O-N 3.41Å; K166-C169 CarbonylContact O-C 3.53Å; K166-C169 WeakPolarHBondContact O-CA 3.49Å; K166-C169 PolarHBondContact O-N 3.34Å; K166-R170 PolarHBondContact O-N 3.13Å; K166-R170 VanDerWaalsContact O-N 3.12Å
167	K	59.4	Low	47.8	Very low	199 Å²	199	112.1 Å²	112.1	87%	0.865	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-53.6	-33.9	-174.6	-161.9	-179.3	-179.5	-172.8	0	112.8	C169	K167-C169 PolarHBondContact O-N 3.39Å
168	I	52.8	Low	47.4	Very low	97 Å²	97	118 Å²	118	50%	0.497	65%	0.648	S	S	.	*	G	3₁₀ helix	trans	-72.3	-11.4	176.6	-149.5	162.6	0	0	0	114.1	K166	K166-I168 HydrophobicContact CB-CG2 4.44Å; K166-I168 PolarHBondContact O-N 3.41Å
169	C	55	Low	46.7	Very low	33 Å²	33	121.8 Å²	121.8	22%	0.223	67%	0.667	C	S	.	*	G	3₁₀ helix	trans	-119.1	-3.1	-177.2	-44.6	0	0	0	0	112.9	C160 P164 K166 K167	C160-C169 WeakPolarHBondContact CA-SG 3.32Å; C160-C169 HydrophobicContact CB-CB 3.84Å; C160-C169 WeakPolarHBondContact CB-SG 3.47Å; C160-C169 WeakPolarHBondContact SG-CB 3.21Å; C160-C169 CovalentContact SG-SG 2.05Å; C160-C169 PolarHBondContact SG-SG 3.4Å; P164-C169 CarbonylContact O-C 3.55Å; P164-C169 WeakPolarHBondContact O-CB 3.27Å; K166-C169 CarbonylContact O-C 3.53Å; K166-C169 WeakPolarHBondContact O-CA 3.49Å; K166-C169 PolarHBondContact O-N 3.34Å; K167-C169 PolarHBondContact O-N 3.39Å
170	R	46.7	Very low	45.8	Very low	172 Å²	172	123.2 Å²	123.2	65%	0.649	70%	0.696	S	S	*	*			trans	-80.5	121.5	-175.6	-79.6	-174.4	-175.1	-171.1	-0.6	111.4	N165 K166 G172	N165-R170 PolarHBondContact O-NE 3.42Å; N165-R170 PolarHBondContact O-NH2 3.23Å; K166-R170 PolarHBondContact O-N 3.13Å; K166-R170 VanDerWaalsContact O-N 3.12Å; R170-G172 PolarHBondContact O-N 3.43Å
171	K	40.7	Very low	44.9	Very low	180 Å²	180	130 Å²	130	78%	0.783	72%	0.724	S	S	*	*			trans	-50.7	116.1	166.7	-101.3	-180	174.3	176.1	0	110.5	G173	K171-G173 PolarHBondContact O-N 2.64Å; K171-G173 VanDerWaalsContact O-N 3.09Å
172	G	31.9	Very low	43.6	Very low	91 Å²	91	132.8 Å²	132.8	94%	0.938	73%	0.727	S	S	*	*	S	Bend	trans	-69.5	95.1	158.9	0	0	0	0	0	108.7	R170	R170-G172 PolarHBondContact O-N 3.43Å
173	G	31.3	Very low	42.5	Very low	61 Å²	61	130.9 Å²	130.9	63%	0.629	73%	0.732	S	S	*	*			trans	162.8	100.5	179.5	0	0	0	0	0	111.9	K171	K171-G173 PolarHBondContact O-N 2.64Å; K171-G173 VanDerWaalsContact O-N 3.09Å
174	S	29.7	Very low	41.3	Very low	138 Å²	138	129.2 Å²	129.2	97%	0.965	74%	0.741	S	S	*	*			trans	-58.8	130.6	174.8	-48.8	0	0	0	0	111.8
175	G	31.4	Very low	40.1	Very low	75 Å²	75	132.9 Å²	132.9	77%	0.773	76%	0.757	S	S	*	*			trans	146	124.4	159.9	0	0	0	0	0	116.1
176	A	34.9	Very low	39	Very low	114 Å²	114	134.8 Å²	134.8	94%	0.942	77%	0.767	S	S	*	*			trans	94.4	104.2	162.3	0	0	0	0	0	118.8
177	K	33.2	Very low	37.8	Very low	209 Å²	209	138.5 Å²	138.5	91%	0.909	79%	0.791	S	S	*	*			trans	-91.5	139.6	161.6	-96.2	178.3	169.9	178.1	0	109.7
178	K	38.8	Very low	36.4	Very low	193 Å²	193	131.9 Å²	131.9	84%	0.839	78%	0.779	S	S	*	*			trans	166.1	113.7	132.9	-99.2	-179.3	170.6	-178	0	108.6
179	Q	34.9	Very low	35.5	Very low	193 Å²	193	134.9 Å²	134.9	90%	0.902	80%	0.796	S	S	*	*				66.6	120.7	87.9	-97.8	-177.2	2.4	0	0	114.9
180	G	33.8	Very low	34.6	Very low	82 Å²	82	142.4 Å²	142.4	85%	0.845	83%	0.828	S	S	*	*			trans	163.9	115.9	166.4	0	0	0	0	0	111.4
181	E	35.5	Very low	34.2	Very low	178 Å²	178	141.7 Å²	141.7	83%	0.832	84%	0.837	S	S	*	*			trans	-78.4	159.4	-170.2	-71.2	162.7	135.3	0	0	114.8
182	D	34.6	Very low	33.9	Very low	144 Å²	144	141.4 Å²	141.4	77%	0.77	84%	0.838	S	S	*	*			trans	44.6	122.5	147.3	-58.7	-16.9	0	0	0	120.3
183	L	37.3	Very low	34.2	Very low	175 Å²	175	142.5 Å²	142.5	92%	0.916	82%	0.823	S	S	*	*			trans	-166.8	113.6	134.1	-97.5	165.8	0	0	0	110.9
184	A	32.1	Very low	35	Very low	88 Å²	88	145.2 Å²	145.2	73%	0.727	82%	0.821	S	S	*	*			trans	13.4	134	151.2	0	0	0	0	0	122.3
185	D	32.3	Very low	36.1	Very low	156 Å²	156	144.6 Å²	144.6	83%	0.834	80%	0.798	S	S	*	*			trans	29.7	104.4	134.4	-79.1	-17	0	0	0	117.7
186	N	34.5	Very low	36.9	Very low	163 Å²	163	147 Å²	147	87%	0.872	79%	0.793	S	S	*	*			trans	-151.3	92.2	138.3	-138.4	10	0	0	0	108.4	G188	N186-G188 PolarHBondContact O-N 2.78Å
187	D	34	Very low	37.9	Very low	168 Å²	168	145.8 Å²	145.8	90%	0.898	78%	0.778	S	S	*	*			trans	-68.1	101.6	162.8	-87.1	-35	0	0	0	107.5
188	G	29.8	Very low	40	Very low	59 Å²	59	137.5 Å²	137.5	61%	0.608	75%	0.752	S	S	*	*			trans	-167.5	123.4	178.1	0	0	0	0	0	110.3	N186	N186-G188 PolarHBondContact O-N 2.78Å
189	D	34.1	Very low	42.5	Very low	161 Å²	161	130.5 Å²	130.5	86%	0.861	73%	0.73	S	S	*	*			trans	81.3	84.9	177.8	-55.8	-25	0	0	0	115.5	D191	D189-D191 PolarHBondContact O-N 3.31Å; D189-D191 VanDerWaalsContact O-N 3.1Å
190	E	35.6	Very low	45.4	Very low	190 Å²	190	122.2 Å²	122.2	89%	0.888	69%	0.691	S	S	*	*			trans	-55	107.3	158.3	-63.4	-178.9	156.7	0	0	108.7	E192	E190-E192 PolarHBondContact O-N 2.99Å
191	D	38.4	Very low	48.4	Very low	158 Å²	158	118.7 Å²	118.7	85%	0.845	65%	0.653	S	S	*	*			trans	-53	104.4	162.3	-78.5	-42.8	0	0	0	107.9	D189 D193	D189-D191 PolarHBondContact O-N 3.31Å; D189-D191 VanDerWaalsContact O-N 3.1Å; D191-D193 PolarHBondContact O-N 3.31Å
192	E	34.1	Very low	51.4	Low	173 Å²	173	110.2 Å²	110.2	81%	0.808	61%	0.613	S	S	*	*			trans	-56.5	103.5	170.3	-77.5	-159.5	164.1	0	0	108.3	E190 I194	E190-E192 PolarHBondContact O-N 2.99Å; E192-I194 VanDerWaalsContact C-N 3.29Å; E192-I194 WeakPolarHBondContact O-CG1 3.4Å; E192-I194 PolarHBondContact O-N 3.26Å
193	D	38.8	Very low	54.5	Low	115 Å²	115	103.3 Å²	103.3	62%	0.615	58%	0.577	S	S	*	*			trans	-69.1	84.5	178.7	-152.9	1.2	0	0	0	107.5	D191 R195	D191-D193 PolarHBondContact O-N 3.31Å; D193-R195 PolarHBondContact O-N 3.33Å
194	I	47.7	Very low	57.4	Low	117 Å²	117	95 Å²	95	60%	0.6	53%	0.533	S	S	*	.	S	Bend	trans	-67.3	45.1	-178.2	-61	157.1	0	0	0	112.2	E192 P573	E192-I194 VanDerWaalsContact C-N 3.29Å; E192-I194 WeakPolarHBondContact O-CG1 3.4Å; E192-I194 PolarHBondContact O-N 3.26Å; I194-P573 HydrophobicContact CG2-CB 3.89Å; I194-P573 HydrophobicContact CG2-CG 4.08Å
195	R	51.8	Low	60.6	Low	126 Å²	126	91.1 Å²	91.1	48%	0.475	50%	0.5	S	S	.	.			trans	-134	58.1	166.3	-58.9	-173.4	-158.6	-169.3	6.3	108.8	D193	D193-R195 PolarHBondContact O-N 3.33Å
196	D	49.5	Very low	63.7	Low	124 Å²	124	83.7 Å²	83.7	66%	0.663	46%	0.46	S	S	*	.			trans	-48.8	143.5	176.6	-167.7	5.3	0	0	0	111.5	G198	D196-G198 PolarHBondContact O-N 2.95Å
197	S	54.2	Low	66.7	Low	89 Å²	89	76.2 Å²	76.2	62%	0.622	42%	0.42	S	S	*	.	S	Bend	trans	-63.6	5.7	170	39.6	0	0	0	0	113.9
198	G	77.7	Confident	69.4	Low	35 Å²	35	68.9 Å²	68.9	36%	0.361	38%	0.384	S	S	.	.	S	Bend	trans	-67.1	172.8	177	0	0	0	0	0	114	D196	D196-G198 PolarHBondContact O-N 2.95Å
199	A	91.9	Very high	71.8	Confident	46 Å²	46	66.2 Å²	66.2	38%	0.38	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-55.6	139.3	175.2	0	0	0	0	0	111	G276 D278 R281	A199-G276 CarbonylContact C-O 3.53Å; A199-G276 WeakPolarHBondContact CA-O 3.12Å; A199-D278 HydrophobicContact CB-CB 3.67Å; A199-R281 PolarHBondContact O-NH2 3.48Å
200	K	95.3	Very high	74.2	Confident	20 Å²	20	58.7 Å²	58.7	9%	0.087	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	146.1	-174.5	-59.9	-177.7	-168.1	-63.4	0	111.2	P149 N229 I231 G276 G277 D278	P149-K200 HydrophobicContact CG-CD 3.72Å; K200-N229 PolarHBondContact NZ-OD1 2.99Å; K200-I231 HydrophobicContact CB-CG1 4.28Å; K200-I231 HydrophobicContact CD-CG1 4.49Å; K200-G276 PolarHBondContact N-O 3.44Å; K200-G277 CarbonylContact O-C 3.57Å; K200-G277 WeakPolarHBondContact O-CA 3.44Å; K200-D278 PolarHBondContact O-N 3.31Å
201	P	97.7	Very high	77	Confident	7 Å²	7	49.7 Å²	49.7	5%	0.045	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	151.5	167.8	-14.7	25.3	0	0	0	111.5	V230 I231 R281 K566	P201-V230 HydrophobicContact CB-CG1 4.03Å; P201-V230 HydrophobicContact CG-CG1 4.1Å; P201-V230 WeakPolarHBondContact O-CA 3.27Å; P201-I231 PolarHBondContact O-N 2.9Å; P201-R281 HydrophobicContact CB-CB 4.38Å; P201-K566 HydrophobicContact CG-CB 4.22Å; P201-K566 HydrophobicContact CG-CG 3.55Å
202	V	98.7	Very high	79.5	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	127.7	-176.7	-174.9	0	0	0	0	108.8	V204 I231 I233 V268 I272 R281 I282 T283	V202-V204 HydrophobicContact CG1-CG2 4.06Å; V202-I231 CarbonylContact C-O 3.58Å; V202-I231 WeakPolarHBondContact CA-O 3.34Å; V202-I231 HydrophobicContact CG2-CB 4.45Å; V202-I233 HydrophobicContact CG1-CD1 3.69Å; V202-I233 HydrophobicContact CG1-CG1 4.15Å; V202-V268 HydrophobicContact CG1-CG1 4.03Å; V202-I272 HydrophobicContact CG1-CG1 4.04Å; V202-I272 HydrophobicContact CG2-CB 4.44Å; V202-I272 HydrophobicContact CG2-CG1 3.63Å; V202-I272 HydrophobicContact CG2-CG2 4.02Å; V202-R281 PolarHBondContact N-O 3.09Å; V202-I282 HydrophobicContact CB-CG1 4.11Å; V202-I282 CarbonylContact O-C 3.55Å; V202-I282 WeakPolarHBondContact O-CA 3.37Å; V202-T283 PolarHBondContact O-N 2.66Å
203	M	98.8	Very high	82.2	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	114.5	176.2	-64	-172.3	70.7	0	0	109.3	L224 V230 I231 V232 I233 T283 F285 I311 W561 T562 A565	M203-L224 HydrophobicContact SD-CD2 4.4Å; M203-V230 HydrophobicContact CG-CG2 4.31Å; M203-V230 HydrophobicContact SD-CG2 3.95Å; M203-I231 PolarHBondContact N-O 3.28Å; M203-V232 CarbonylContact O-C 3.59Å; M203-V232 WeakPolarHBondContact O-CA 3.47Å; M203-I233 PolarHBondContact O-N 2.86Å; M203-T283 CarbonylContact C-O 3.58Å; M203-T283 VanDerWaalsContact CA-O 3.32Å; M203-T283 WeakPolarHBondContact CA-O 3.47Å; M203-F285 HydrophobicContact CB-CD1 4.2Å; M203-F285 HydrophobicContact CB-CE1 3.72Å; M203-F285 HydrophobicContact CB-CZ 4.47Å; M203-F285 HydrophobicContact CE-CD1 4.29Å; M203-F285 HydrophobicContact CE-CE1 4.28Å; M203-F285 HydrophobicContact CE-CG 4.48Å; M203-F285 HydrophobicContact CE-CZ 4.41Å; M203-I311 HydrophobicContact CE-CD1 4.09Å; M203-W561 HydrophobicContact CE-CB 4.33Å; M203-T562 HydrophobicContact SD-CG2 4.08Å; M203-A565 HydrophobicContact CE-CB 4.28Å; M203-A565 HydrophobicContact CG-CB 3.63Å; M203-A565 HydrophobicContact SD-CB 3.75Å
204	V	98.8	Very high	84.7	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	113.7	-177.1	-175.2	0	0	0	0	109.4	V202 I233 L235 L265 V268 I282 T283 V284 F285	V202-V204 HydrophobicContact CG1-CG2 4.06Å; V204-I233 CarbonylContact C-O 3.55Å; V204-I233 HydrophobicContact CG1-CB 4.46Å; V204-I233 HydrophobicContact CG1-CG2 4.47Å; V204-I233 HydrophobicContact CG2-CB 4.26Å; V204-I233 HydrophobicContact CG2-CD1 4.29Å; V204-L235 HydrophobicContact CG1-CD2 3.69Å; V204-L265 HydrophobicContact CB-CD2 4.32Å; V204-L265 HydrophobicContact CG1-CD2 4.13Å; V204-L265 HydrophobicContact CG2-CD2 4.28Å; V204-V268 HydrophobicContact CG2-CG1 4.26Å; V204-I282 HydrophobicContact CG2-CG2 3.9Å; V204-T283 PolarHBondContact N-O 2.92Å; V204-V284 CarbonylContact O-C 3.42Å; V204-V284 WeakPolarHBondContact O-CA 3.22Å; V204-F285 VanDerWaalsContact O-CD1 3.25Å; V204-F285 WeakPolarHBondContact O-CD1 3.29Å; V204-F285 PolarHBondContact O-N 3Å
205	Y	98.8	Very high	87	Confident	6 Å²	6	26.3 Å²	26.3	2%	0.024	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	127.4	-178.7	-173.3	-111.2	0	0	0	112	H207 I219 I233 T234 F285 F531	Y205-H207 HydrophobicContact CE1-CB 4.04Å; Y205-I219 HydrophobicContact CD1-CB 4.41Å; Y205-I219 HydrophobicContact CD1-CG1 4.32Å; Y205-I219 HydrophobicContact CD1-CG2 4.31Å; Y205-I219 HydrophobicContact CE1-CB 4.31Å; Y205-I219 HydrophobicContact CE1-CG1 3.73Å; Y205-I219 HydrophobicContact CE1-CG2 4.35Å; Y205-I233 PolarHBondContact N-O 2.71Å; Y205-T234 HydrophobicContact CD1-CG2 4.46Å; Y205-F285 CarbonylContact C-O 3.5Å; Y205-F285 VanDerWaalsContact CA-O 3.27Å; Y205-F285 WeakPolarHBondContact CA-O 3.39Å; Y205-F285 HydrophobicContact CD2-CD1 4.32Å; Y205-F285 AromaticContact CD2-CD2 3.67Å; Y205-F285 HydrophobicContact CD2-CD2 3.67Å; Y205-F285 HydrophobicContact CD2-CE1 4.13Å; Y205-F285 AromaticContact CD2-CE2 3.48Å; Y205-F285 HydrophobicContact CD2-CE2 3.48Å; Y205-F285 VanDerWaalsContact CD2-CE2 3.48Å; Y205-F285 HydrophobicContact CD2-CG 4.08Å; Y205-F285 AromaticContact CD2-CZ 3.72Å; Y205-F285 HydrophobicContact CD2-CZ 3.72Å; Y205-F285 WeakPolarHBondContact CD2-O 3.45Å; Y205-F285 HydrophobicContact CE2-CD2 4.26Å; Y205-F285 HydrophobicContact CE2-CE2 4.19Å; Y205-F285 HydrophobicContact CG-CE1 4.36Å; Y205-F285 HydrophobicContact CG-CE2 4.28Å; Y205-F285 HydrophobicContact CG-CZ 4.07Å; Y205-F531 HydrophobicContact CD1-CZ 4.1Å; Y205-F531 HydrophobicContact CD2-CE2 4.09Å; Y205-F531 AromaticContact CD2-CZ 3.57Å; Y205-F531 HydrophobicContact CD2-CZ 3.57Å; Y205-F531 HydrophobicContact CE1-CE2 4.46Å; Y205-F531 HydrophobicContact CE1-CZ 4.33Å; Y205-F531 AromaticContact CE2-CE2 3.81Å; Y205-F531 HydrophobicContact CE2-CE2 3.81Å; Y205-F531 AromaticContact CE2-CZ 3.79Å; Y205-F531 HydrophobicContact CE2-CZ 3.79Å; Y205-F531 HydrophobicContact CG-CE2 4.48Å; Y205-F531 AromaticContact CG-CZ 3.71Å; Y205-F531 HydrophobicContact CG-CZ 3.71Å
206	I	98.4	Very high	89.1	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	117.4	171.4	-56.8	-177.9	0	0	0	108.1	L235 Y237 Q261 V284 F285 G286 G290 C293 V294 L297	I206-L235 HydrophobicContact CG1-CD2 4.35Å; I206-Y237 HydrophobicContact CG2-CD1 4.45Å; I206-Y237 HydrophobicContact CG2-CE1 3.83Å; I206-Q261 HydrophobicContact CD1-CB 4.36Å; I206-Q261 HydrophobicContact CD1-CG 4.27Å; I206-Q261 HydrophobicContact CG2-CG 4.47Å; I206-V284 HydrophobicContact CD1-CG1 3.56Å; I206-V284 HydrophobicContact CG1-CG1 3.92Å; I206-F285 PolarHBondContact N-O 3.04Å; I206-G286 WeakPolarHBondContact O-CA 3.31Å; I206-G290 WeakPolarHBondContact O-CA 3.42Å; I206-C293 HydrophobicContact CG2-CB 3.92Å; I206-V294 HydrophobicContact CB-CG2 4.46Å; I206-V294 HydrophobicContact CD1-CG2 4.05Å; I206-V294 HydrophobicContact CG1-CG2 4.48Å; I206-L297 HydrophobicContact CD1-CD1 3.45Å; I206-L297 VanDerWaalsContact CD1-CD1 3.45Å
207	H	96.4	Very high	91.2	Very high	5 Å²	5	14.8 Å²	14.8	2%	0.023	10%	0.103	C	C	.	.			trans	-75.1	152.3	179.2	71.1	84.4	0	0	0	111.8	Y205 T215 G216 L235 Y237	Y205-H207 HydrophobicContact CE1-CB 4.04Å; H207-T215 PolarHBondContact CE1-N 2.96Å; H207-T215 PolarHBondContact ND1-N 2.04Å; H207-G216 PolarHBondContact CD2-N 2.89Å; H207-L235 PolarHBondContact CD2-O 2.99Å; H207-Y237 AromaticContact CD2-CE1 3.69Å; H207-Y237 AromaticContact CE1-CE1 3.6Å; H207-Y237 AromaticContact CE1-CZ 3.83Å; H207-Y237 AromaticContact NE2-CD1 3.72Å; H207-Y237 AromaticContact NE2-CE1 3.36Å; H207-Y237 WeakPolarHBondContact NE2-CE1 3.26Å; H207-Y237 PolarHBondContact O-OH 3.39Å
208	G	90	Very high	93.1	Very high	15 Å²	15	11 Å²	11	16%	0.155	8%	0.076	C	C	.	.			trans	-89.2	-162.3	167.2	0	0	0	0	0	112.8
209	G	81.1	Confident	93.9	Very high	3 Å²	3	9.6 Å²	9.6	3%	0.031	6%	0.06	C	C	.	.	S	Bend	trans	130.8	50.1	179	0	0	0	0	0	113.4	Y211 M212 E213	G209-Y211 PolarHBondContact O-N 3.4Å; G209-M212 PolarHBondContact O-N 2.92Å; G209-E213 VanDerWaalsContact C-OE1 3.23Å; G209-E213 WeakPolarHBondContact CA-O 3.09Å; G209-E213 CarbonylContact O-C 3.58Å; G209-E213 WeakPolarHBondContact O-CG 3.4Å; G209-E213 PolarHBondContact O-N 3.12Å; G209-E213 VanDerWaalsContact O-O 3.08Å; G209-E213 VanDerWaalsContact O-OE1 3.06Å
210	S	85	Confident	94.1	Very high	3 Å²	3	11.4 Å²	11.4	2%	0.021	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	11.2	-178.6	84.3	0	0	0	0	117.1	M212 E213	S210-M212 PolarHBondContact O-N 3.25Å; S210-M212 WeakPolarHBondContact OG-CB 3.42Å; S210-E213 WeakPolarHBondContact CB-OE1 3.16Å; S210-E213 PolarHBondContact OG-OE1 2.71Å; S210-E213 PolarHBondContact OG-OE2 3.21Å; S210-E213 VanDerWaalsContact OG-OE2 3.13Å
211	Y	92.9	Very high	94.2	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	64	-7.7	-162	-58.4	-78.5	0	0	0	114.5	G209 V239 G240 F244 I289 S292 C293 W321 A322 V372 P376	G209-Y211 PolarHBondContact O-N 3.4Å; Y211-V239 CarbonylContact O-C 3.49Å; Y211-V239 WeakPolarHBondContact O-CA 3.4Å; Y211-V239 VanDerWaalsContact O-CB 3.3Å; Y211-V239 WeakPolarHBondContact O-CB 3.26Å; Y211-G240 PolarHBondContact O-N 2.88Å; Y211-F244 HydrophobicContact CD1-CE1 4.34Å; Y211-F244 AromaticContact CD1-CE2 3.91Å; Y211-F244 HydrophobicContact CD1-CE2 3.91Å; Y211-F244 AromaticContact CD1-CZ 3.7Å; Y211-F244 HydrophobicContact CD1-CZ 3.7Å; Y211-F244 HydrophobicContact CE1-CZ 4.39Å; Y211-F244 HydrophobicContact CG-CE2 4.33Å; Y211-I289 HydrophobicContact CD1-CG2 3.53Å; Y211-I289 HydrophobicContact CD2-CD1 3.96Å; Y211-I289 HydrophobicContact CD2-CG1 4.26Å; Y211-I289 HydrophobicContact CD2-CG2 3.82Å; Y211-I289 HydrophobicContact CE1-CG2 3.46Å; Y211-I289 VanDerWaalsContact CE1-CG2 3.46Å; Y211-I289 HydrophobicContact CE2-CB 4.39Å; Y211-I289 HydrophobicContact CE2-CD1 4.03Å; Y211-I289 HydrophobicContact CE2-CG1 3.87Å; Y211-I289 HydrophobicContact CE2-CG2 3.71Å; Y211-I289 HydrophobicContact CG-CG2 3.72Å; Y211-S292 VanDerWaalsContact OH-CB 3.3Å; Y211-S292 WeakPolarHBondContact OH-CB 3.47Å; Y211-C293 VanDerWaalsContact CE1-SG 3.51Å; Y211-W321 WeakPolarHBondContact CE2-O 3.4Å; Y211-A322 PolarHBondContact OH-O 3.39Å; Y211-V372 HydrophobicContact CD2-CG1 4.22Å; Y211-P376 HydrophobicContact CD1-CG 4.27Å; Y211-P376 HydrophobicContact CE1-CG 3.56Å; Y211-P376 HydrophobicContact CE2-CG 4.49Å; Y211-P376 VanDerWaalsContact CZ-CD 3.42Å
212	M	91.9	Very high	94.1	Very high	63 Å²	63	10.1 Å²	10.1	31%	0.31	6%	0.057	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-23.4	-174.7	-60.4	-70.3	-63	0	0	113	Q108 G209 S210 V239 G240 F374	Q108-M212 VanDerWaalsContact CB-O 3.32Å; Q108-M212 WeakPolarHBondContact CB-O 3.49Å; G209-M212 PolarHBondContact O-N 2.92Å; S210-M212 PolarHBondContact O-N 3.25Å; S210-M212 WeakPolarHBondContact OG-CB 3.42Å; M212-V239 WeakPolarHBondContact O-CG2 3.49Å; M212-G240 WeakPolarHBondContact SD-CA 3.41Å; M212-F374 HydrophobicContact CE-CD2 4.22Å; M212-F374 HydrophobicContact SD-CB 3.88Å; M212-F374 HydrophobicContact SD-CD2 4.08Å; M212-F374 HydrophobicContact SD-CG 4.48Å
213	E	90.5	Very high	94	Very high	6 Å²	6	10.6 Å²	10.6	3%	0.028	6%	0.059	C	C	.	.	S	Bend	trans	-140.7	179.1	-178	62.2	-83.9	163.3	0	0	112.8	Q108 I110 V114 L119 F123 G209 S210	Q108-E213 HydrophobicContact CB-CB 4.35Å; Q108-E213 VanDerWaalsContact OE1-CA 3.26Å; Q108-E213 VanDerWaalsContact OE1-CB 3.3Å; I110-E213 HydrophobicContact CG2-CB 4.04Å; I110-E213 HydrophobicContact CG2-CG 4.45Å; V114-E213 WeakPolarHBondContact CG1-OE1 3.43Å; L119-E213 WeakPolarHBondContact CD2-OE1 3.46Å; F123-E213 HydrophobicContact CE1-CG 4.1Å; F123-E213 HydrophobicContact CZ-CB 4.45Å; F123-E213 HydrophobicContact CZ-CG 3.78Å; G209-E213 VanDerWaalsContact C-OE1 3.23Å; G209-E213 WeakPolarHBondContact CA-O 3.09Å; G209-E213 CarbonylContact O-C 3.58Å; G209-E213 WeakPolarHBondContact O-CG 3.4Å; G209-E213 PolarHBondContact O-N 3.12Å; G209-E213 VanDerWaalsContact O-O 3.08Å; G209-E213 VanDerWaalsContact O-OE1 3.06Å; S210-E213 WeakPolarHBondContact CB-OE1 3.16Å; S210-E213 PolarHBondContact OG-OE1 2.71Å; S210-E213 PolarHBondContact OG-OE2 3.21Å; S210-E213 VanDerWaalsContact OG-OE2 3.13Å
214	G	92.2	Very high	94	Very high	3 Å²	3	10.6 Å²	10.6	3%	0.031	6%	0.059	C	C	.	.			trans	106.5	171	179.7	0	0	0	0	0	113.7	Q108	Q108-G214 PolarHBondContact NE2-O 3.22Å; Q108-G214 PolarHBondContact OE1-O 2.89Å
215	T	95.3	Very high	93.9	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.059	C	C	.	.			trans	-162	144.6	176.9	172.7	0	0	0	0	109.7	V105 H207 N217 M218 N236	V105-T215 HydrophobicContact CG1-CG2 3.97Å; V105-T215 WeakPolarHBondContact CG1-OG1 3.43Å; H207-T215 PolarHBondContact CE1-N 2.96Å; H207-T215 PolarHBondContact ND1-N 2.04Å; T215-N217 HydrophobicContact CG2-CB 4.07Å; T215-N217 PolarHBondContact O-N 3.16Å; T215-N217 WeakPolarHBondContact OG1-CB 3.28Å; T215-N217 PolarHBondContact OG1-N 2.86Å; T215-N217 VanDerWaalsContact OG1-N 3.08Å; T215-N217 PolarHBondContact OG1-ND2 2.8Å; T215-M218 HydrophobicContact CG2-CE 3.88Å; T215-M218 HydrophobicContact CG2-CG 3.75Å; T215-M218 HydrophobicContact CG2-SD 4.25Å; T215-M218 VanDerWaalsContact N-CE 3.3Å; T215-M218 VanDerWaalsContact O-CE 3.22Å; T215-M218 WeakPolarHBondContact O-CE 3.1Å; T215-M218 PolarHBondContact O-N 2.91Å; T215-N236 WeakPolarHBondContact CA-OD1 3.43Å; T215-N236 WeakPolarHBondContact CB-OD1 3.46Å; T215-N236 PolarHBondContact OG1-OD1 3.05Å
216	G	95.5	Very high	93.7	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-64	-14.1	170.6	0	0	0	0	0	113.5	H207 M218 T234 N236	H207-G216 PolarHBondContact CD2-N 2.89Å; G216-M218 VanDerWaalsContact C-N 3.33Å; G216-M218 PolarHBondContact O-N 2.88Å; G216-T234 VanDerWaalsContact O-CB 3.27Å; G216-T234 WeakPolarHBondContact O-CB 3.45Å; G216-T234 PolarHBondContact O-OG1 3.31Å; G216-N236 PolarHBondContact N-OD1 3.34Å
217	N	94.9	Very high	93.5	Very high	8 Å²	8	12.7 Å²	12.7	4%	0.043	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-73.2	-22	-177.5	-58.2	-11.4	0	0	0	113.3	F102 N145 T215 I219 N236	F102-N217 HydrophobicContact CD1-CB 3.92Å; F102-N217 WeakPolarHBondContact CD1-OD1 3.44Å; F102-N217 HydrophobicContact CD2-CB 4.46Å; F102-N217 HydrophobicContact CE1-CB 4.18Å; F102-N217 HydrophobicContact CG-CB 4.07Å; N145-N217 PolarHBondContact ND2-OD1 2.87Å; T215-N217 HydrophobicContact CG2-CB 4.07Å; T215-N217 PolarHBondContact O-N 3.16Å; T215-N217 WeakPolarHBondContact OG1-CB 3.28Å; T215-N217 PolarHBondContact OG1-N 2.86Å; T215-N217 VanDerWaalsContact OG1-N 3.08Å; T215-N217 PolarHBondContact OG1-ND2 2.8Å; N217-I219 PolarHBondContact O-N 3.31Å; N217-N236 PolarHBondContact OD1-ND2 2.98Å
218	M	93.8	Very high	93.5	Very high	11 Å²	11	12.6 Å²	12.6	5%	0.054	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-68.7	-18.4	178.8	-75.5	176.7	-60.5	0	0	113.1	F123 V130 Y133 T215 G216 L541	F123-M218 HydrophobicContact CD2-CE 4.29Å; F123-M218 HydrophobicContact CD2-SD 4.07Å; F123-M218 HydrophobicContact CE2-CE 3.86Å; F123-M218 HydrophobicContact CE2-SD 3.78Å; V130-M218 HydrophobicContact CG1-SD 4.17Å; V130-M218 HydrophobicContact CG2-SD 4.47Å; Y133-M218 HydrophobicContact CD1-CG 4.07Å; Y133-M218 HydrophobicContact CD2-CG 4.17Å; Y133-M218 HydrophobicContact CG-CG 3.75Å; T215-M218 HydrophobicContact CG2-CE 3.88Å; T215-M218 HydrophobicContact CG2-CG 3.75Å; T215-M218 HydrophobicContact CG2-SD 4.25Å; T215-M218 VanDerWaalsContact N-CE 3.3Å; T215-M218 VanDerWaalsContact O-CE 3.22Å; T215-M218 WeakPolarHBondContact O-CE 3.1Å; T215-M218 PolarHBondContact O-N 2.91Å; G216-M218 VanDerWaalsContact C-N 3.33Å; G216-M218 PolarHBondContact O-N 2.88Å; M218-L541 HydrophobicContact CB-CD2 3.97Å; M218-L541 WeakPolarHBondContact O-CD2 3.24Å
219	I	94.4	Very high	93.7	Very high	5 Å²	5	13.8 Å²	13.8	3%	0.026	7%	0.072	C	C	.	.	S	Bend	trans	-111.4	115.1	-171.2	-61.2	-58.2	0	0	0	109.7	Y205 N217 G221 T234 V527 F531 F542	Y205-I219 HydrophobicContact CD1-CB 4.41Å; Y205-I219 HydrophobicContact CD1-CG1 4.32Å; Y205-I219 HydrophobicContact CD1-CG2 4.31Å; Y205-I219 HydrophobicContact CE1-CB 4.31Å; Y205-I219 HydrophobicContact CE1-CG1 3.73Å; Y205-I219 HydrophobicContact CE1-CG2 4.35Å; N217-I219 PolarHBondContact O-N 3.31Å; I219-G221 PolarHBondContact O-N 3.12Å; I219-T234 HydrophobicContact CG2-CG2 4.49Å; I219-V527 HydrophobicContact CD1-CG1 4.02Å; I219-F531 HydrophobicContact CG2-CD1 3.38Å; I219-F531 HydrophobicContact CG2-CD2 3.64Å; I219-F531 HydrophobicContact CG2-CE1 3.2Å; I219-F531 HydrophobicContact CG2-CE2 3.47Å; I219-F531 VanDerWaalsContact CG2-CE2 3.47Å; I219-F531 HydrophobicContact CG2-CG 3.61Å; I219-F531 HydrophobicContact CG2-CZ 3.26Å; I219-F542 HydrophobicContact CD1-CZ 4.35Å
220	D	95.3	Very high	94.5	Very high	83 Å²	83	13.7 Å²	13.7	44%	0.444	7%	0.071	S	C	.	.			trans	-84.5	109.9	176	-171.6	-7.3	0	0	0	111	Y147 S222	Y147-D220 WeakPolarHBondContact CE1-OD1 3.48Å; D220-S222 VanDerWaalsContact C-N 3.25Å; D220-S222 PolarHBondContact O-N 3.35Å; D220-S222 WeakPolarHBondContact OD1-CB 3.46Å; D220-S222 PolarHBondContact OD1-N 2.76Å; D220-S222 PolarHBondContact OD1-OG 3.26Å
221	G	96.9	Very high	95.1	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.07	C	C	.	.			trans	-76	-3.6	177.7	0	0	0	0	0	115.1	I219 I223 A225	I219-G221 PolarHBondContact O-N 3.12Å; G221-I223 PolarHBondContact O-N 2.87Å; G221-A225 VanDerWaalsContact O-CB 3.28Å; G221-A225 WeakPolarHBondContact O-CB 3.4Å; G221-A225 PolarHBondContact O-N 3.29Å
222	S	96.9	Very high	95.4	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-66.5	-42.3	-167.8	-54.4	0	0	0	0	113.7	V66 Q68 Y147 D220 A225 S226	V66-S222 WeakPolarHBondContact CG2-O 3.37Å; Q68-S222 PolarHBondContact NE2-OG 2.91Å; Y147-S222 VanDerWaalsContact CD1-OG 3.24Å; Y147-S222 WeakPolarHBondContact CD1-OG 3.41Å; D220-S222 VanDerWaalsContact C-N 3.25Å; D220-S222 PolarHBondContact O-N 3.35Å; D220-S222 WeakPolarHBondContact OD1-CB 3.46Å; D220-S222 PolarHBondContact OD1-N 2.76Å; D220-S222 PolarHBondContact OD1-OG 3.26Å; S222-A225 PolarHBondContact O-N 2.57Å; S222-S226 WeakPolarHBondContact O-CB 3.11Å; S222-S226 PolarHBondContact O-N 3.37Å
223	I	96.6	Very high	95.7	Very high	10 Å²	10	10.5 Å²	10.5	5%	0.051	6%	0.055	C	C	.	.	H	α-helix	trans	-67.3	-47.7	-178.9	-58.2	169.5	0	0	0	109.9	L63 G221 A225 S226 Y227 G532 M535 V536 M558	L63-I223 HydrophobicContact CD1-CG2 3.9Å; G221-I223 PolarHBondContact O-N 2.87Å; I223-A225 VanDerWaalsContact C-N 3.31Å; I223-A225 PolarHBondContact O-N 3.05Å; I223-S226 PolarHBondContact O-N 3.4Å; I223-Y227 WeakPolarHBondContact O-CB 3.42Å; I223-Y227 PolarHBondContact O-N 2.82Å; I223-G532 VanDerWaalsContact CD1-O 3.24Å; I223-G532 WeakPolarHBondContact CD1-O 3.4Å; I223-M535 HydrophobicContact CG2-CB 4.37Å; I223-M535 HydrophobicContact CG2-SD 3.98Å; I223-V536 HydrophobicContact CD1-CB 4.18Å; I223-V536 HydrophobicContact CD1-CG2 3.39Å; I223-V536 HydrophobicContact CG1-CG2 4.09Å; I223-M558 HydrophobicContact CG2-CE 4.28Å; I223-M558 HydrophobicContact CG2-SD 4.27Å
224	L	97.5	Very high	96.1	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-59.4	-42.6	177.1	178.7	60.5	0	0	0	111.4	M203 G228 V232 F285 F531 M558 T562	M203-L224 HydrophobicContact SD-CD2 4.4Å; L224-G228 WeakPolarHBondContact O-CA 3.26Å; L224-G228 PolarHBondContact O-N 2.91Å; L224-V232 HydrophobicContact CB-CG2 4.08Å; L224-V232 HydrophobicContact CD2-CG2 3.91Å; L224-V232 HydrophobicContact CG-CG2 3.82Å; L224-F285 HydrophobicContact CD2-CE2 4.45Å; L224-F285 HydrophobicContact CD2-CZ 4.08Å; L224-F531 HydrophobicContact CD2-CD1 4.3Å; L224-F531 HydrophobicContact CD2-CE1 4.19Å; L224-M558 HydrophobicContact CB-SD 4.4Å; L224-M558 HydrophobicContact CD1-CB 4.18Å; L224-M558 HydrophobicContact CD1-CG 3.87Å; L224-M558 HydrophobicContact CD1-SD 4.06Å; L224-T562 HydrophobicContact CD1-CG2 3.55Å
225	A	97.2	Very high	96.4	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-60.9	-51.6	176.2	0	0	0	0	0	111.8	P149 G221 S222 I223 N229 V230 V232	P149-A225 WeakPolarHBondContact CB-O 3.37Å; G221-A225 VanDerWaalsContact O-CB 3.28Å; G221-A225 WeakPolarHBondContact O-CB 3.4Å; G221-A225 PolarHBondContact O-N 3.29Å; S222-A225 PolarHBondContact O-N 2.57Å; I223-A225 VanDerWaalsContact C-N 3.31Å; I223-A225 PolarHBondContact O-N 3.05Å; A225-N229 VanDerWaalsContact O-CA 3.31Å; A225-N229 WeakPolarHBondContact O-CA 3.45Å; A225-N229 PolarHBondContact O-N 3.49Å; A225-V230 VanDerWaalsContact CA-O 3.23Å; A225-V230 WeakPolarHBondContact CA-O 3.43Å; A225-V230 WeakPolarHBondContact CB-O 3.29Å; A225-V230 PolarHBondContact O-N 3.32Å; A225-V232 HydrophobicContact CB-CB 4.38Å; A225-V232 HydrophobicContact CB-CG2 3.91Å
226	S	95.4	Very high	96.5	Very high	11 Å²	11	10.2 Å²	10.2	8%	0.077	5%	0.053	C	C	.	.	H	α-helix	trans	-66.6	-46.2	-177.8	-172	0	0	0	0	112.7	L58 G64 S222 I223	L58-S226 VanDerWaalsContact CD1-CB 3.49Å; G64-S226 PolarHBondContact N-OG 3.34Å; G64-S226 PolarHBondContact O-OG 3.2Å; S222-S226 WeakPolarHBondContact O-CB 3.11Å; S222-S226 PolarHBondContact O-N 3.37Å; I223-S226 PolarHBondContact O-N 3.4Å
227	Y	94.5	Very high	96.6	Very high	41 Å²	41	10.3 Å²	10.3	16%	0.161	5%	0.053	C	C	.	.	H	α-helix	trans	-66.1	-50.6	178.6	-179.2	-87.6	0	0	0	111.6	L63 I223 N229 M535 A555 M558 T559 I581	L63-Y227 HydrophobicContact CD2-CD2 4.37Å; I223-Y227 WeakPolarHBondContact O-CB 3.42Å; I223-Y227 PolarHBondContact O-N 2.82Å; Y227-N229 VanDerWaalsContact C-N 3.32Å; Y227-N229 PolarHBondContact O-N 2.91Å; Y227-M535 HydrophobicContact CD2-CE 3.79Å; Y227-M535 HydrophobicContact CD2-SD 4.11Å; Y227-M535 HydrophobicContact CE2-CE 3.77Å; Y227-A555 HydrophobicContact CE2-CB 4.12Å; Y227-A555 PolarHBondContact OH-O 2.91Å; Y227-A555 VanDerWaalsContact OH-O 3.06Å; Y227-M558 HydrophobicContact CD1-CB 3.63Å; Y227-M558 HydrophobicContact CD1-CE 3.96Å; Y227-M558 HydrophobicContact CD1-SD 4.24Å; Y227-M558 HydrophobicContact CD2-CE 4.02Å; Y227-M558 HydrophobicContact CE1-CB 3.74Å; Y227-M558 HydrophobicContact CE1-CE 4.41Å; Y227-M558 HydrophobicContact CE2-CE 4.45Å; Y227-M558 HydrophobicContact CG-CE 3.76Å; Y227-M558 HydrophobicContact CG-SD 4.28Å; Y227-T559 PolarHBondContact OH-OG1 3.27Å; Y227-I581 HydrophobicContact CD2-CD1 3.61Å; Y227-I581 HydrophobicContact CD2-CG1 4.36Å; Y227-I581 HydrophobicContact CE2-CD1 3.85Å; Y227-I581 HydrophobicContact CE2-CG1 4.19Å; Y227-I581 HydrophobicContact CE2-CG2 3.89Å
228	G	95	Very high	96.8	Very high	2 Å²	2	10.3 Å²	10.3	2%	0.021	5%	0.053	C	C	.	.	H	α-helix	trans	-75	-19.4	-174.8	0	0	0	0	0	114.4	L224 V230 K566	L224-G228 WeakPolarHBondContact O-CA 3.26Å; L224-G228 PolarHBondContact O-N 2.91Å; G228-V230 VanDerWaalsContact C-N 3.27Å; G228-K566 WeakPolarHBondContact O-CE 3.36Å; G228-K566 PolarHBondContact O-NZ 3.14Å
229	N	95	Very high	96.9	Very high	41 Å²	41	9.8 Å²	9.8	22%	0.219	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	47.7	-165.7	-173.8	39.1	0	0	0	111.5	K200 A225 Y227	K200-N229 PolarHBondContact NZ-OD1 2.99Å; A225-N229 VanDerWaalsContact O-CA 3.31Å; A225-N229 WeakPolarHBondContact O-CA 3.45Å; A225-N229 PolarHBondContact O-N 3.49Å; Y227-N229 VanDerWaalsContact C-N 3.32Å; Y227-N229 PolarHBondContact O-N 2.91Å
230	V	97.2	Very high	96.9	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.05	C	C	.	.	S	Bend	trans	-126.1	155.7	178	-63.1	0	0	0	0	109	P149 P201 M203 A225 G228 V232 T562	P149-V230 VanDerWaalsContact CD-O 3.24Å; P149-V230 WeakPolarHBondContact CD-O 3.34Å; P149-V230 WeakPolarHBondContact CG-O 3.36Å; P201-V230 HydrophobicContact CB-CG1 4.03Å; P201-V230 HydrophobicContact CG-CG1 4.1Å; P201-V230 WeakPolarHBondContact O-CA 3.27Å; M203-V230 HydrophobicContact CG-CG2 4.31Å; M203-V230 HydrophobicContact SD-CG2 3.95Å; A225-V230 VanDerWaalsContact CA-O 3.23Å; A225-V230 WeakPolarHBondContact CA-O 3.43Å; A225-V230 WeakPolarHBondContact CB-O 3.29Å; A225-V230 PolarHBondContact O-N 3.32Å; G228-V230 VanDerWaalsContact C-N 3.27Å; V230-V232 HydrophobicContact CG2-CG2 4.11Å; V230-T562 HydrophobicContact CG1-CG2 4.39Å; V230-T562 HydrophobicContact CG2-CG2 4.09Å
231	I	98.2	Very high	96.9	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	129.8	168.2	-63	-179.4	0	0	0	108	V146 Y147 V148 K200 P201 V202 M203 I233 I272 F275 G277	V146-I231 HydrophobicContact CG1-CG2 3.69Å; Y147-I231 WeakPolarHBondContact O-CA 3.32Å; V148-I231 HydrophobicContact CG1-CD1 4.39Å; V148-I231 HydrophobicContact CG1-CG1 4.35Å; V148-I231 HydrophobicContact CG2-CD1 4.38Å; V148-I231 HydrophobicContact CG2-CG1 4.47Å; V148-I231 HydrophobicContact CG2-CG2 4.44Å; K200-I231 HydrophobicContact CB-CG1 4.28Å; K200-I231 HydrophobicContact CD-CG1 4.49Å; P201-I231 PolarHBondContact O-N 2.9Å; V202-I231 CarbonylContact C-O 3.58Å; V202-I231 WeakPolarHBondContact CA-O 3.34Å; V202-I231 HydrophobicContact CG2-CB 4.45Å; M203-I231 PolarHBondContact N-O 3.28Å; I231-I233 HydrophobicContact CG2-CG1 4.18Å; I231-I272 HydrophobicContact CD1-CD1 4.41Å; I231-I272 HydrophobicContact CD1-CG1 4.33Å; I231-I272 HydrophobicContact CG2-CD1 4.04Å; I231-F275 HydrophobicContact CD1-CB 4.15Å; I231-F275 WeakPolarHBondContact CD1-O 3.43Å; I231-G277 VanDerWaalsContact CD1-CA 3.47Å; I231-G277 VanDerWaalsContact CD1-N 3.34Å
232	V	98.7	Very high	97	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	136.3	174.3	-178.4	0	0	0	0	108.6	Y147 M203 L224 A225 V230	Y147-V232 WeakPolarHBondContact CD2-O 3.12Å; Y147-V232 PolarHBondContact N-O 3.49Å; Y147-V232 PolarHBondContact O-N 3.48Å; Y147-V232 VanDerWaalsContact O-N 3.07Å; M203-V232 CarbonylContact O-C 3.59Å; M203-V232 WeakPolarHBondContact O-CA 3.47Å; L224-V232 HydrophobicContact CB-CG2 4.08Å; L224-V232 HydrophobicContact CD2-CG2 3.91Å; L224-V232 HydrophobicContact CG-CG2 3.82Å; A225-V232 HydrophobicContact CB-CB 4.38Å; A225-V232 HydrophobicContact CB-CG2 3.91Å; V230-V232 HydrophobicContact CG2-CG2 4.11Å
233	I	98.8	Very high	97	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	132.4	176.6	-56.3	-178	0	0	0	108.4	L144 N145 V146 V202 M203 V204 Y205 I231 V268 I272	L144-I233 HydrophobicContact CB-CG2 4.18Å; L144-I233 HydrophobicContact CD1-CG2 4.19Å; N145-I233 CarbonylContact O-C 3.52Å; N145-I233 VanDerWaalsContact O-CA 3.22Å; N145-I233 WeakPolarHBondContact O-CA 3.33Å; V146-I233 HydrophobicContact CG1-CG1 4.35Å; V146-I233 HydrophobicContact CG2-CG1 4.43Å; V202-I233 HydrophobicContact CG1-CD1 3.69Å; V202-I233 HydrophobicContact CG1-CG1 4.15Å; M203-I233 PolarHBondContact O-N 2.86Å; V204-I233 CarbonylContact C-O 3.55Å; V204-I233 HydrophobicContact CG1-CB 4.46Å; V204-I233 HydrophobicContact CG1-CG2 4.47Å; V204-I233 HydrophobicContact CG2-CB 4.26Å; V204-I233 HydrophobicContact CG2-CD1 4.29Å; Y205-I233 PolarHBondContact N-O 2.71Å; I231-I233 HydrophobicContact CG2-CG1 4.18Å; I233-V268 HydrophobicContact CD1-CB 4.29Å; I233-V268 HydrophobicContact CD1-CG1 3.71Å; I233-V268 HydrophobicContact CD1-CG2 3.5Å; I233-V268 VanDerWaalsContact CD1-CG2 3.5Å; I233-V268 HydrophobicContact CG2-CG2 4.48Å; I233-I272 HydrophobicContact CD1-CD1 3.59Å; I233-I272 HydrophobicContact CD1-CG1 4.3Å; I233-I272 HydrophobicContact CG1-CD1 4.47Å
234	T	98.6	Very high	97.1	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	148	165.8	69.8	0	0	0	0	108.7	L144 N145 Y147 Y205 G216 I219	L144-T234 CarbonylContact C-O 3.59Å; L144-T234 VanDerWaalsContact CA-O 3.28Å; L144-T234 WeakPolarHBondContact CA-O 3.44Å; L144-T234 WeakPolarHBondContact CB-O 2.74Å; N145-T234 PolarHBondContact N-O 2.96Å; N145-T234 PolarHBondContact ND2-OG1 3.11Å; N145-T234 PolarHBondContact O-N 3.2Å; Y147-T234 HydrophobicContact CE2-CG2 4.27Å; Y205-T234 HydrophobicContact CD1-CG2 4.46Å; G216-T234 VanDerWaalsContact O-CB 3.27Å; G216-T234 WeakPolarHBondContact O-CB 3.45Å; G216-T234 PolarHBondContact O-OG1 3.31Å; I219-T234 HydrophobicContact CG2-CG2 4.49Å
235	L	97.8	Very high	97.1	Very high	1 Å²	1	5.9 Å²	5.9	1%	0.005	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	154	-176.7	68.5	96.2	0	0	0	111.7	L144 V204 I206 H207 Y237 Q261 A264	L144-L235 HydrophobicContact CB-CB 3.92Å; V204-L235 HydrophobicContact CG1-CD2 3.69Å; I206-L235 HydrophobicContact CG1-CD2 4.35Å; H207-L235 PolarHBondContact CD2-O 2.99Å; L235-Y237 HydrophobicContact CD1-CD1 3.82Å; L235-Y237 HydrophobicContact CD1-CG 4.48Å; L235-Q261 HydrophobicContact CD1-CG 4.09Å; L235-A264 HydrophobicContact CD2-CB 3.99Å
236	N	97.7	Very high	97.1	Very high	2 Å²	2	6.1 Å²	6.1	1%	0.011	3%	0.032	C	C	.	.			trans	-103.7	137.4	166.8	-67.1	-42.2	0	0	0	108.9	Y74 C141 Y143 T215 G216 N217	Y74-N236 WeakPolarHBondContact CE1-O 3.46Å; Y74-N236 PolarHBondContact OH-O 2.98Å; C141-N236 WeakPolarHBondContact O-CB 3.38Å; Y143-N236 PolarHBondContact O-N 3.48Å; T215-N236 WeakPolarHBondContact CA-OD1 3.43Å; T215-N236 WeakPolarHBondContact CB-OD1 3.46Å; T215-N236 PolarHBondContact OG1-OD1 3.05Å; G216-N236 PolarHBondContact N-OD1 3.34Å; N217-N236 PolarHBondContact OD1-ND2 2.98Å
237	Y	98.2	Very high	97.3	Very high	1 Å²	1	6 Å²	6	0%	0.004	3%	0.03	C	C	.	.			trans	-128.3	157.9	173.5	58	-86.5	0	0	0	108.9	C106 I206 H207 L235 V239 F244 Q261	C106-Y237 VanDerWaalsContact SG-C 3.59Å; C106-Y237 PolarHBondContact SG-O 3.21Å; I206-Y237 HydrophobicContact CG2-CD1 4.45Å; I206-Y237 HydrophobicContact CG2-CE1 3.83Å; H207-Y237 AromaticContact CD2-CE1 3.69Å; H207-Y237 AromaticContact CE1-CE1 3.6Å; H207-Y237 AromaticContact CE1-CZ 3.83Å; H207-Y237 AromaticContact NE2-CD1 3.72Å; H207-Y237 AromaticContact NE2-CE1 3.36Å; H207-Y237 WeakPolarHBondContact NE2-CE1 3.26Å; H207-Y237 PolarHBondContact O-OH 3.39Å; L235-Y237 HydrophobicContact CD1-CD1 3.82Å; L235-Y237 HydrophobicContact CD1-CG 4.48Å; Y237-V239 HydrophobicContact CD2-CG1 4.36Å; Y237-V239 HydrophobicContact CE2-CG1 4.04Å; Y237-V239 PolarHBondContact O-N 3.29Å; Y237-F244 HydrophobicContact CE2-CE2 4.4Å; Y237-F244 HydrophobicContact CE2-CZ 4.3Å; Y237-Q261 HydrophobicContact CD1-CG 3.98Å; Y237-Q261 HydrophobicContact CG-CG 3.93Å
238	R	98.2	Very high	97.3	Very high	8 Å²	8	6.6 Å²	6.6	3%	0.03	5%	0.05	C	C	.	.			trans	-59.5	130.8	177.4	-76.2	170.8	-75.9	178.7	-4.2	110.5	P78 L85 L142 G243 G257 D260	P78-R238 HydrophobicContact CG-CG 4.21Å; L85-R238 PolarHBondContact O-NH1 3.35Å; L85-R238 PolarHBondContact O-NH2 2.9Å; L142-R238 HydrophobicContact CD2-CG 4.13Å; R238-G243 VanDerWaalsContact CB-CA 3.49Å; R238-G243 WeakPolarHBondContact O-CA 3.39Å; R238-G257 WeakPolarHBondContact O-CA 3.4Å; R238-D260 VanDerWaalsContact CB-OD2 3.23Å; R238-D260 WeakPolarHBondContact CB-OD2 3.34Å; R238-D260 VanDerWaalsContact CG-OD2 3.28Å; R238-D260 WeakPolarHBondContact CG-OD2 3.3Å; R238-D260 IonicContact CZ-OD1 2.82Å; R238-D260 IonicContact CZ-OD2 3.86Å; R238-D260 PolarHBondContact N-OD2 2.9Å; R238-D260 IonicContact NE-OD1 3.72Å; R238-D260 PolarHBondContact NE-OD1 2.99Å; R238-D260 IonicContact NE-OD2 3.84Å; R238-D260 PolarHBondContact NE-OD2 3.31Å; R238-D260 IonicContact NH2-OD1 3.72Å; R238-D260 PolarHBondContact NH2-OD1 3.12Å; R238-D260 IonicContact NH2-OD2 2.82Å
239	V	96.1	Very high	97.4	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.006	6%	0.064	C	C	.	.			trans	-109.8	163.2	177.9	-64.7	0	0	0	0	111.2	C106 Q108 Y211 M212 Y237 L242 G243	C106-V239 HydrophobicContact CB-CG2 4.08Å; Q108-V239 HydrophobicContact CB-CG2 4.05Å; Y211-V239 CarbonylContact O-C 3.49Å; Y211-V239 WeakPolarHBondContact O-CA 3.4Å; Y211-V239 VanDerWaalsContact O-CB 3.3Å; Y211-V239 WeakPolarHBondContact O-CB 3.26Å; M212-V239 WeakPolarHBondContact O-CG2 3.49Å; Y237-V239 HydrophobicContact CD2-CG1 4.36Å; Y237-V239 HydrophobicContact CE2-CG1 4.04Å; Y237-V239 PolarHBondContact O-N 3.29Å; V239-L242 PolarHBondContact O-N 3.17Å; V239-G243 PolarHBondContact O-N 3.28Å
240	G	94.5	Very high	97.5	Very high	3 Å²	3	14.3 Å²	14.3	3%	0.031	9%	0.086	C	C	.	.	H	α-helix	trans	55.8	-137.4	175.6	0	0	0	0	0	113.7	Y211 M212 L242 G243 F244	Y211-G240 PolarHBondContact O-N 2.88Å; M212-G240 WeakPolarHBondContact SD-CA 3.41Å; G240-L242 PolarHBondContact O-N 3.06Å; G240-G243 PolarHBondContact O-N 3.3Å; G240-G243 VanDerWaalsContact O-N 3.12Å; G240-F244 PolarHBondContact O-N 2.87Å
241	V	96.5	Very high	97.4	Very high	5 Å²	5	15.2 Å²	15.2	3%	0.03	9%	0.093	C	C	.	.	H	α-helix	trans	-51.7	-45	179.3	177.4	0	0	0	0	111.5	F84 G243 L245 L334 L360 F374	F84-V241 HydrophobicContact CE1-CG1 4.28Å; F84-V241 HydrophobicContact CZ-CG1 4.47Å; V241-G243 VanDerWaalsContact C-N 3.3Å; V241-G243 PolarHBondContact O-N 3.28Å; V241-L245 HydrophobicContact CG1-CB 4.32Å; V241-L245 HydrophobicContact CG1-CD1 3.85Å; V241-L245 WeakPolarHBondContact O-CB 3.32Å; V241-L245 PolarHBondContact O-N 2.91Å; V241-L334 HydrophobicContact CB-CD2 4.34Å; V241-L334 HydrophobicContact CG1-CD2 3.42Å; V241-L334 VanDerWaalsContact CG1-CD2 3.42Å; V241-L334 HydrophobicContact CG2-CD2 3.9Å; V241-L360 HydrophobicContact CG1-CB 4.34Å; V241-F374 HydrophobicContact CG2-CD1 4.43Å; V241-F374 HydrophobicContact CG2-CD2 3.84Å; V241-F374 HydrophobicContact CG2-CE1 4.28Å; V241-F374 HydrophobicContact CG2-CE2 3.66Å; V241-F374 HydrophobicContact CG2-CG 4.23Å; V241-F374 HydrophobicContact CG2-CZ 3.9Å
242	L	97.5	Very high	97.4	Very high	8 Å²	8	15.2 Å²	15.2	4%	0.042	9%	0.093	C	C	.	.	H	α-helix	trans	-70.8	-27	-175.2	-59.5	177.8	0	0	0	112.9	R83 F84 P107 E139 V239 G240 A357 L360	R83-L242 HydrophobicContact CG-CD2 4.06Å; F84-L242 HydrophobicContact CE1-CD2 4.05Å; F84-L242 HydrophobicContact CZ-CD2 4.24Å; P107-L242 HydrophobicContact CB-CD1 3.9Å; P107-L242 HydrophobicContact CG-CD1 3.71Å; E139-L242 HydrophobicContact CG-CD1 3.99Å; V239-L242 PolarHBondContact O-N 3.17Å; G240-L242 PolarHBondContact O-N 3.06Å; L242-A357 HydrophobicContact CD1-CB 3.96Å; L242-L360 HydrophobicContact CD2-CD1 4.09Å
243	G	97.7	Very high	97.3	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-91.1	-28.1	179.1	0	0	0	0	0	114.6	R238 V239 G240 V241 Y256 G257	R238-G243 VanDerWaalsContact CB-CA 3.49Å; R238-G243 WeakPolarHBondContact O-CA 3.39Å; V239-G243 PolarHBondContact O-N 3.28Å; G240-G243 PolarHBondContact O-N 3.3Å; G240-G243 VanDerWaalsContact O-N 3.12Å; V241-G243 VanDerWaalsContact C-N 3.3Å; V241-G243 PolarHBondContact O-N 3.28Å; G243-Y256 CarbonylContact O-C 3.58Å; G243-Y256 WeakPolarHBondContact O-CA 3.46Å; G243-Y256 VanDerWaalsContact O-CB 3.28Å; G243-Y256 WeakPolarHBondContact O-CB 3.3Å; G243-Y256 PolarHBondContact O-N 3.28Å; G243-G257 PolarHBondContact O-N 2.93Å
244	F	98.2	Very high	97.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-140.4	7.7	-162.5	-61.1	-75.7	0	0	0	115.3	Y211 Y237 G240 S246 L258 F374 P376	Y211-F244 HydrophobicContact CD1-CE1 4.34Å; Y211-F244 AromaticContact CD1-CE2 3.91Å; Y211-F244 HydrophobicContact CD1-CE2 3.91Å; Y211-F244 AromaticContact CD1-CZ 3.7Å; Y211-F244 HydrophobicContact CD1-CZ 3.7Å; Y211-F244 HydrophobicContact CE1-CZ 4.39Å; Y211-F244 HydrophobicContact CG-CE2 4.33Å; Y237-F244 HydrophobicContact CE2-CE2 4.4Å; Y237-F244 HydrophobicContact CE2-CZ 4.3Å; G240-F244 PolarHBondContact O-N 2.87Å; F244-S246 PolarHBondContact O-N 3.3Å; F244-L258 HydrophobicContact CE1-CG 4.33Å; F244-F374 HydrophobicContact CB-CB 4.17Å; F244-P376 HydrophobicContact CD1-CG 4.4Å; F244-P376 HydrophobicContact CE1-CG 3.96Å
245	L	98	Very high	97.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.111	C	C	.	.			trans	-58.2	130.1	172.1	-179	145.3	0	0	0	110.7	F84 V241 A252 G254 Y256 T331 L334 L352	F84-L245 HydrophobicContact CD1-CB 4.17Å; F84-L245 HydrophobicContact CD1-CD2 4.5Å; F84-L245 HydrophobicContact CE1-CB 4.09Å; F84-L245 HydrophobicContact CE1-CD1 4.31Å; F84-L245 HydrophobicContact CZ-CD1 4.34Å; V241-L245 HydrophobicContact CG1-CB 4.32Å; V241-L245 HydrophobicContact CG1-CD1 3.85Å; V241-L245 WeakPolarHBondContact O-CB 3.32Å; V241-L245 PolarHBondContact O-N 2.91Å; L245-A252 HydrophobicContact CD2-CB 3.62Å; L245-G254 WeakPolarHBondContact O-CA 3.04Å; L245-Y256 VanDerWaalsContact O-CE2 3.28Å; L245-Y256 WeakPolarHBondContact O-CE2 3.45Å; L245-T331 HydrophobicContact CD1-CG2 4.07Å; L245-T331 HydrophobicContact CD2-CG2 4.03Å; L245-T331 HydrophobicContact CG-CG2 3.93Å; L245-L334 HydrophobicContact CD1-CD2 3.81Å; L245-L352 HydrophobicContact CD1-CD1 3.84Å
246	S	98.3	Very high	97.3	Very high	4 Å²	4	19.4 Å²	19.4	3%	0.028	11%	0.112	C	C	.	.			trans	-140.9	136.9	176.1	175	0	0	0	0	110.9	F244 G248 A252 K253 P327 T331	F244-S246 PolarHBondContact O-N 3.3Å; S246-G248 VanDerWaalsContact C-N 3.33Å; S246-G248 PolarHBondContact OG-N 3.38Å; S246-A252 CarbonylContact C-O 3.52Å; S246-A252 WeakPolarHBondContact CA-O 3.33Å; S246-A252 PolarHBondContact OG-O 3.15Å; S246-K253 WeakPolarHBondContact CB-O 3.48Å; S246-K253 PolarHBondContact OG-O 3.46Å; S246-P327 CarbonylContact O-C 3.55Å; S246-T331 WeakPolarHBondContact O-CB 3.47Å; S246-T331 PolarHBondContact O-OG1 2.83Å
247	T	97.7	Very high	97.3	Very high	8 Å²	8	19.3 Å²	19.3	5%	0.049	11%	0.112	C	C	.	.			trans	-89.5	-1.4	174	47.1	0	0	0	0	112.3	D249 A252 V328 T331 T345 V349	T247-D249 WeakPolarHBondContact CB-OD1 3.33Å; T247-D249 PolarHBondContact O-N 3.27Å; T247-D249 PolarHBondContact OG1-OD1 2.93Å; T247-A252 HydrophobicContact CG2-CB 4.19Å; T247-A252 PolarHBondContact N-O 3.26Å; T247-A252 PolarHBondContact OG1-N 3.48Å; T247-A252 PolarHBondContact OG1-O 3.18Å; T247-V328 WeakPolarHBondContact O-CG2 3.44Å; T247-T331 HydrophobicContact CG2-CG2 4Å; T247-T345 HydrophobicContact CG2-CG2 4.36Å; T247-V349 HydrophobicContact CG2-CG2 3.76Å
248	G	95.9	Very high	97.3	Very high	55 Å²	55	19.3 Å²	19.3	57%	0.567	11%	0.112	S	C	*	.	S	Bend	trans	70.1	9.7	-174.6	0	0	0	0	0	113.9	S246	S246-G248 VanDerWaalsContact C-N 3.33Å; S246-G248 PolarHBondContact OG-N 3.38Å
249	D	96.4	Very high	97.4	Very high	60 Å²	60	19.8 Å²	19.8	32%	0.321	12%	0.115	S	C	.	.	S	Bend	trans	-138.6	-162.4	177.8	68.6	15.3	0	0	0	110.6	T247 A251 T345	T247-D249 WeakPolarHBondContact CB-OD1 3.33Å; T247-D249 PolarHBondContact O-N 3.27Å; T247-D249 PolarHBondContact OG1-OD1 2.93Å; D249-A251 WeakPolarHBondContact OD1-CB 3.3Å; D249-A251 PolarHBondContact OD1-N 3.43Å; D249-T345 WeakPolarHBondContact OD2-CB 3.5Å; D249-T345 WeakPolarHBondContact OD2-CG2 3.43Å; D249-T345 PolarHBondContact OD2-OG1 3.33Å
250	Q	96.3	Very high	97.5	Very high	144 Å²	144	19.8 Å²	19.8	67%	0.673	11%	0.114	S	C	*	.	S	Bend	trans	-79.6	-11.1	-176.3	-60	-63.2	-63.3	0	0	114.3	K253	Q250-K253 VanDerWaalsContact OE1-NZ 3.17Å
251	A	96.7	Very high	97.7	Very high	20 Å²	20	19.6 Å²	19.6	17%	0.165	11%	0.113	C	C	.	.	S	Bend	trans	-68.5	-45.2	-176.8	0	0	0	0	0	111.9	D249 V346 V349	D249-A251 WeakPolarHBondContact OD1-CB 3.3Å; D249-A251 PolarHBondContact OD1-N 3.43Å; A251-V346 HydrophobicContact CB-CG2 3.97Å; A251-V349 HydrophobicContact CB-CG2 4.08Å
252	A	97.4	Very high	97.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.111	C	C	.	.			trans	-141.4	103.6	167.3	0	0	0	0	0	109.1	L245 S246 T247 G254 Y256 V349	L245-A252 HydrophobicContact CD2-CB 3.62Å; S246-A252 CarbonylContact C-O 3.52Å; S246-A252 WeakPolarHBondContact CA-O 3.33Å; S246-A252 PolarHBondContact OG-O 3.15Å; T247-A252 HydrophobicContact CG2-CB 4.19Å; T247-A252 PolarHBondContact N-O 3.26Å; T247-A252 PolarHBondContact OG1-N 3.48Å; T247-A252 PolarHBondContact OG1-O 3.18Å; A252-G254 VanDerWaalsContact C-N 3.32Å; A252-G254 PolarHBondContact O-N 2.57Å; A252-Y256 VanDerWaalsContact CA-OH 3.25Å; A252-Y256 WeakPolarHBondContact CA-OH 3.36Å; A252-Y256 WeakPolarHBondContact CB-OH 3.39Å; A252-V349 HydrophobicContact CB-CG1 4.39Å; A252-V349 HydrophobicContact CB-CG2 3.71Å
253	K	97.6	Very high	97.8	Very high	79 Å²	79	19.6 Å²	19.6	34%	0.343	11%	0.112	S	C	.	.			trans	-68	-31.3	-176.7	-63.2	-177.9	178.1	-169.1	0	113.1	S246 Q250 Y256 V377	S246-K253 WeakPolarHBondContact CB-O 3.48Å; S246-K253 PolarHBondContact OG-O 3.46Å; Q250-K253 VanDerWaalsContact OE1-NZ 3.17Å; K253-Y256 PolarHBondContact N-OH 3.39Å; K253-V377 WeakPolarHBondContact O-CG2 3.33Å
254	G	97.7	Very high	97.9	Very high	2 Å²	2	19.7 Å²	19.7	2%	0.021	11%	0.113	C	C	.	.			trans	95	-163.6	-171.9	0	0	0	0	0	113.2	L245 A252 Y256	L245-G254 WeakPolarHBondContact O-CA 3.04Å; A252-G254 VanDerWaalsContact C-N 3.32Å; A252-G254 PolarHBondContact O-N 2.57Å; G254-Y256 PolarHBondContact O-N 2.72Å; G254-Y256 VanDerWaalsContact O-N 3.08Å
255	N	98.5	Very high	97.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.113	C	C	.	.			trans	58.1	18.9	176	-62.8	-28.6	0	0	0	116.4	G257 L258 L259 P376 V377 D379 V382	N255-G257 VanDerWaalsContact C-N 3.3Å; N255-G257 PolarHBondContact O-N 3.25Å; N255-L258 HydrophobicContact CB-CB 4.49Å; N255-L258 HydrophobicContact CB-CD1 4.42Å; N255-L258 PolarHBondContact O-N 3.49Å; N255-L258 VanDerWaalsContact O-N 3.08Å; N255-L259 WeakPolarHBondContact O-CG 3.48Å; N255-L259 PolarHBondContact O-N 3.15Å; N255-P376 VanDerWaalsContact OD1-CA 3.3Å; N255-P376 WeakPolarHBondContact OD1-CA 3.47Å; N255-V377 PolarHBondContact ND2-O 3.46Å; N255-V377 PolarHBondContact OD1-N 3.5Å; N255-V377 PolarHBondContact OD1-O 3.05Å; N255-D379 PolarHBondContact ND2-OD1 3.3Å; N255-D379 PolarHBondContact ND2-OD2 3.06Å; N255-V382 HydrophobicContact CB-CB 4.14Å; N255-V382 HydrophobicContact CB-CG1 4.23Å; N255-V382 HydrophobicContact CB-CG2 4.25Å
256	Y	98.5	Very high	97.9	Very high	8 Å²	8	23.5 Å²	23.5	3%	0.031	13%	0.127	C	C	.	.	H	α-helix	trans	-60.8	-37.9	-179.8	-46.1	-63.4	0	0	0	112.8	F84 G243 L245 A252 K253 G254 L259 D260	F84-Y256 HydrophobicContact CB-CE2 3.76Å; F84-Y256 HydrophobicContact CD1-CE2 4.22Å; F84-Y256 HydrophobicContact CG-CE2 4.48Å; F84-Y256 WeakPolarHBondContact O-CE1 3.39Å; F84-Y256 PolarHBondContact O-OH 3.31Å; G243-Y256 CarbonylContact O-C 3.58Å; G243-Y256 WeakPolarHBondContact O-CA 3.46Å; G243-Y256 VanDerWaalsContact O-CB 3.28Å; G243-Y256 WeakPolarHBondContact O-CB 3.3Å; G243-Y256 PolarHBondContact O-N 3.28Å; L245-Y256 VanDerWaalsContact O-CE2 3.28Å; L245-Y256 WeakPolarHBondContact O-CE2 3.45Å; A252-Y256 VanDerWaalsContact CA-OH 3.25Å; A252-Y256 WeakPolarHBondContact CA-OH 3.36Å; A252-Y256 WeakPolarHBondContact CB-OH 3.39Å; K253-Y256 PolarHBondContact N-OH 3.39Å; G254-Y256 PolarHBondContact O-N 2.72Å; G254-Y256 VanDerWaalsContact O-N 3.08Å; Y256-L259 PolarHBondContact O-N 2.83Å; Y256-D260 PolarHBondContact O-N 3.19Å
257	G	98.2	Very high	97.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-65.2	-33.9	174.5	0	0	0	0	0	113.5	R238 G243 N255 D260 Q261	R238-G257 WeakPolarHBondContact O-CA 3.4Å; G243-G257 PolarHBondContact O-N 2.93Å; N255-G257 VanDerWaalsContact C-N 3.3Å; N255-G257 PolarHBondContact O-N 3.25Å; G257-D260 WeakPolarHBondContact O-CB 3.34Å; G257-Q261 WeakPolarHBondContact O-CG 3.43Å; G257-Q261 PolarHBondContact O-N 2.64Å
258	L	98.5	Very high	97.9	Very high	1 Å²	1	23 Å²	23	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-71.5	-41	172.1	-69.4	179.4	0	0	0	111.1	F244 N255 D260 Q261 I262 C293 L296 P376 V382 I383	F244-L258 HydrophobicContact CE1-CG 4.33Å; N255-L258 HydrophobicContact CB-CB 4.49Å; N255-L258 HydrophobicContact CB-CD1 4.42Å; N255-L258 PolarHBondContact O-N 3.49Å; N255-L258 VanDerWaalsContact O-N 3.08Å; L258-D260 VanDerWaalsContact C-N 3.26Å; L258-D260 PolarHBondContact O-N 2.98Å; L258-Q261 WeakPolarHBondContact O-CB 3.37Å; L258-Q261 PolarHBondContact O-N 3.33Å; L258-Q261 VanDerWaalsContact O-N 3.12Å; L258-I262 WeakPolarHBondContact O-CG1 3.4Å; L258-I262 PolarHBondContact O-N 2.8Å; L258-C293 HydrophobicContact CD2-CB 4.28Å; L258-L296 HydrophobicContact CD1-CB 4.49Å; L258-L296 HydrophobicContact CD1-CD1 4.43Å; L258-P376 HydrophobicContact CD1-CB 4Å; L258-P376 HydrophobicContact CD1-CG 4.13Å; L258-P376 HydrophobicContact CG-CG 4.43Å; L258-V382 HydrophobicContact CB-CG1 4.33Å; L258-V382 HydrophobicContact CD1-CG1 4.38Å; L258-I383 HydrophobicContact CD1-CD1 4.29Å; L258-I383 HydrophobicContact CD1-CG1 4.25Å
259	L	98.7	Very high	98	Very high	18 Å²	18	22.1 Å²	22.1	9%	0.094	11%	0.109	C	C	.	.	H	α-helix	trans	-63	-33.5	175.5	-70.9	168.1	0	0	0	112.3	P86 P87 N255 Y256 I262 Q263 V382	P86-L259 HydrophobicContact CB-CD1 3.98Å; P86-L259 HydrophobicContact CG-CD1 3.94Å; P87-L259 HydrophobicContact CG-CB 4.29Å; P87-L259 WeakPolarHBondContact CG-O 3.44Å; N255-L259 WeakPolarHBondContact O-CG 3.48Å; N255-L259 PolarHBondContact O-N 3.15Å; Y256-L259 PolarHBondContact O-N 2.83Å; L259-I262 HydrophobicContact CD2-CD1 4.34Å; L259-I262 PolarHBondContact O-N 2.99Å; L259-Q263 WeakPolarHBondContact O-CB 3.28Å; L259-Q263 PolarHBondContact O-N 2.97Å; L259-V382 HydrophobicContact CD1-CG2 4.13Å; L259-V382 HydrophobicContact CD2-CG2 3.66Å; L259-V382 HydrophobicContact CG-CG2 3.89Å
260	D	98.7	Very high	98	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.6	-45.4	170.9	-68	-17.1	0	0	0	111.5	Y74 P87 L142 R238 Y256 G257 L258 Q263 A264	Y74-D260 VanDerWaalsContact CE2-O 3.25Å; Y74-D260 WeakPolarHBondContact CE2-O 3.35Å; P87-D260 WeakPolarHBondContact CB-OD1 3.47Å; P87-D260 WeakPolarHBondContact CG-OD1 3.3Å; L142-D260 HydrophobicContact CD2-CB 4.21Å; L142-D260 WeakPolarHBondContact CD2-OD2 3.37Å; R238-D260 VanDerWaalsContact CB-OD2 3.23Å; R238-D260 WeakPolarHBondContact CB-OD2 3.34Å; R238-D260 VanDerWaalsContact CG-OD2 3.28Å; R238-D260 WeakPolarHBondContact CG-OD2 3.3Å; R238-D260 IonicContact CZ-OD1 2.82Å; R238-D260 IonicContact CZ-OD2 3.86Å; R238-D260 PolarHBondContact N-OD2 2.9Å; R238-D260 IonicContact NE-OD1 3.72Å; R238-D260 PolarHBondContact NE-OD1 2.99Å; R238-D260 IonicContact NE-OD2 3.84Å; R238-D260 PolarHBondContact NE-OD2 3.31Å; R238-D260 IonicContact NH2-OD1 3.72Å; R238-D260 PolarHBondContact NH2-OD1 3.12Å; R238-D260 IonicContact NH2-OD2 2.82Å; Y256-D260 PolarHBondContact O-N 3.19Å; G257-D260 WeakPolarHBondContact O-CB 3.34Å; L258-D260 VanDerWaalsContact C-N 3.26Å; L258-D260 PolarHBondContact O-N 2.98Å; D260-Q263 PolarHBondContact O-N 2.91Å; D260-A264 WeakPolarHBondContact O-CB 3.1Å; D260-A264 PolarHBondContact O-N 3.38Å
261	Q	98.5	Very high	98.1	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62.6	-43.4	175.7	-64.1	164.2	20.2	0	0	111.3	I206 L235 Y237 G257 L258 Q263 A264 L265 C293 L297	I206-Q261 HydrophobicContact CD1-CB 4.36Å; I206-Q261 HydrophobicContact CD1-CG 4.27Å; I206-Q261 HydrophobicContact CG2-CG 4.47Å; L235-Q261 HydrophobicContact CD1-CG 4.09Å; Y237-Q261 HydrophobicContact CD1-CG 3.98Å; Y237-Q261 HydrophobicContact CG-CG 3.93Å; G257-Q261 WeakPolarHBondContact O-CG 3.43Å; G257-Q261 PolarHBondContact O-N 2.64Å; L258-Q261 WeakPolarHBondContact O-CB 3.37Å; L258-Q261 PolarHBondContact O-N 3.33Å; L258-Q261 VanDerWaalsContact O-N 3.12Å; Q261-Q263 PolarHBondContact O-N 3.43Å; Q261-A264 WeakPolarHBondContact O-CB 3.13Å; Q261-A264 PolarHBondContact O-N 3.02Å; Q261-L265 VanDerWaalsContact O-CG 3.32Å; Q261-L265 WeakPolarHBondContact O-CG 3.45Å; Q261-L265 PolarHBondContact O-N 3.42Å; Q261-C293 PolarHBondContact NE2-SG 3.33Å; Q261-C293 VanDerWaalsContact NE2-SG 3.42Å; Q261-L297 HydrophobicContact CB-CD1 4.27Å
262	I	98.5	Very high	98.1	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61.5	-44	175.2	-68.6	161.7	0	0	0	110.7	L258 L259 A264 L265 R266 L297 H302 L306 V382	L258-I262 WeakPolarHBondContact O-CG1 3.4Å; L258-I262 PolarHBondContact O-N 2.8Å; L259-I262 HydrophobicContact CD2-CD1 4.34Å; L259-I262 PolarHBondContact O-N 2.99Å; I262-A264 VanDerWaalsContact C-N 3.34Å; I262-A264 PolarHBondContact O-N 3.09Å; I262-L265 PolarHBondContact O-N 2.88Å; I262-R266 VanDerWaalsContact CG2-CZ 3.46Å; I262-R266 WeakPolarHBondContact O-CG 3.5Å; I262-R266 PolarHBondContact O-N 3.3Å; I262-L297 HydrophobicContact CD1-CD2 3.99Å; I262-L297 HydrophobicContact CG1-CD2 3.52Å; I262-H302 HydrophobicContact CD1-CB 3.79Å; I262-H302 HydrophobicContact CG2-CB 4.32Å; I262-L306 HydrophobicContact CG2-CD1 3.91Å; I262-V382 HydrophobicContact CD1-CG1 4.31Å
263	Q	98.5	Very high	98.1	Very high	13 Å²	13	19 Å²	19	6%	0.061	10%	0.099	C	C	.	.	H	α-helix	trans	-64.9	-37.8	177.3	-179.8	53.5	40.3	0	0	111.9	Y74 A75 P87 L259 D260 Q261 R266 W267	Y74-Q263 HydrophobicContact CD2-CG 4.18Å; Y74-Q263 HydrophobicContact CE2-CB 4.48Å; Y74-Q263 PolarHBondContact O-NE2 2.82Å; A75-Q263 HydrophobicContact CB-CG 4.02Å; P87-Q263 HydrophobicContact CB-CB 4.27Å; P87-Q263 HydrophobicContact CB-CG 4.22Å; P87-Q263 HydrophobicContact CG-CB 3.62Å; P87-Q263 HydrophobicContact CG-CG 4.07Å; L259-Q263 WeakPolarHBondContact O-CB 3.28Å; L259-Q263 PolarHBondContact O-N 2.97Å; D260-Q263 PolarHBondContact O-N 2.91Å; Q261-Q263 PolarHBondContact O-N 3.43Å; Q263-R266 PolarHBondContact O-N 3.1Å; Q263-W267 WeakPolarHBondContact O-CB 3.45Å; Q263-W267 PolarHBondContact O-N 3.13Å
264	A	98.6	Very high	98	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.008	10%	0.101	C	C	.	.	H	α-helix	trans	-62.6	-43.7	171.3	0	0	0	0	0	111.2	Y74 L144 L235 D260 Q261 I262 R266 W267 V268	Y74-A264 HydrophobicContact CD1-CB 4.17Å; Y74-A264 HydrophobicContact CD2-CB 3.72Å; Y74-A264 HydrophobicContact CE1-CB 4.19Å; Y74-A264 HydrophobicContact CE2-CB 3.79Å; Y74-A264 HydrophobicContact CG-CB 3.94Å; L144-A264 HydrophobicContact CD2-CB 4.45Å; L235-A264 HydrophobicContact CD2-CB 3.99Å; D260-A264 WeakPolarHBondContact O-CB 3.1Å; D260-A264 PolarHBondContact O-N 3.38Å; Q261-A264 WeakPolarHBondContact O-CB 3.13Å; Q261-A264 PolarHBondContact O-N 3.02Å; I262-A264 VanDerWaalsContact C-N 3.34Å; I262-A264 PolarHBondContact O-N 3.09Å; A264-R266 PolarHBondContact O-N 2.54Å; A264-W267 WeakPolarHBondContact O-CB 3.48Å; A264-W267 PolarHBondContact O-N 3.32Å; A264-V268 VanDerWaalsContact O-CG2 3.27Å; A264-V268 WeakPolarHBondContact O-CG2 3.38Å; A264-V268 PolarHBondContact O-N 2.9Å
265	L	98.6	Very high	98	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-63.4	-39.5	176.6	-70.1	168.1	0	0	0	112.5	V204 Q261 I262 V268 S269 I282 V284 L297 L306 F307	V204-L265 HydrophobicContact CB-CD2 4.32Å; V204-L265 HydrophobicContact CG1-CD2 4.13Å; V204-L265 HydrophobicContact CG2-CD2 4.28Å; Q261-L265 VanDerWaalsContact O-CG 3.32Å; Q261-L265 WeakPolarHBondContact O-CG 3.45Å; Q261-L265 PolarHBondContact O-N 3.42Å; I262-L265 PolarHBondContact O-N 2.88Å; L265-V268 PolarHBondContact O-N 3.26Å; L265-S269 WeakPolarHBondContact O-CB 3.49Å; L265-S269 PolarHBondContact O-N 3.42Å; L265-I282 HydrophobicContact CD2-CG2 4.45Å; L265-V284 HydrophobicContact CD1-CG2 4.3Å; L265-V284 HydrophobicContact CD2-CG2 3.61Å; L265-L297 HydrophobicContact CD1-CD1 4.08Å; L265-L306 HydrophobicContact CB-CB 4.17Å; L265-L306 HydrophobicContact CB-CD1 4.05Å; L265-F307 HydrophobicContact CD1-CD1 3.9Å; L265-F307 HydrophobicContact CD1-CE1 4.08Å
266	R	98.3	Very high	97.8	Very high	79 Å²	79	21.5 Å²	21.5	30%	0.298	12%	0.119	S	C	.	.	H	α-helix	trans	-59.3	-49.5	170.8	-71.7	177.1	-172.5	143.4	3.2	111.2	I262 Q263 A264 V268 S269 E270 H302 L306	I262-R266 VanDerWaalsContact CG2-CZ 3.46Å; I262-R266 WeakPolarHBondContact O-CG 3.5Å; I262-R266 PolarHBondContact O-N 3.3Å; Q263-R266 PolarHBondContact O-N 3.1Å; A264-R266 PolarHBondContact O-N 2.54Å; R266-V268 VanDerWaalsContact C-N 3.28Å; R266-V268 PolarHBondContact O-N 3.38Å; R266-S269 PolarHBondContact O-N 2.75Å; R266-E270 WeakPolarHBondContact O-CG 3.39Å; R266-E270 PolarHBondContact O-N 2.85Å; R266-H302 PolarHBondContact NH2-O 2.94Å; R266-L306 HydrophobicContact CG-CD1 3.71Å; R266-L306 HydrophobicContact CG-CD2 3.71Å; R266-L306 HydrophobicContact CG-CG 4.4Å
267	W	98.4	Very high	97.7	Very high	1 Å²	1	21.2 Å²	21.2	0%	0.004	12%	0.119	C	C	.	.	H	α-helix	trans	-57.2	-43.1	176.5	-175.4	100.4	0	0	0	111.7	T46 F48 V72 L144 Q263 A264 E270 N271 F275	T46-W267 HydrophobicContact CG2-CZ2 4.17Å; F48-W267 AromaticContact CD2-NE1 3.74Å; F48-W267 AromaticContact CE2-CD1 3.63Å; F48-W267 AromaticContact CE2-NE1 3.78Å; V72-W267 HydrophobicContact CG1-CH2 3.7Å; V72-W267 HydrophobicContact CG1-CZ2 3.38Å; L144-W267 HydrophobicContact CD1-CE3 4.2Å; L144-W267 HydrophobicContact CD1-CH2 4.14Å; L144-W267 HydrophobicContact CD1-CZ3 3.75Å; L144-W267 HydrophobicContact CD2-CD2 4.13Å; L144-W267 HydrophobicContact CD2-CE3 3.59Å; L144-W267 HydrophobicContact CD2-CZ3 4.01Å; L144-W267 HydrophobicContact CG-CE3 4.46Å; L144-W267 HydrophobicContact CG-CZ3 4.47Å; Q263-W267 WeakPolarHBondContact O-CB 3.45Å; Q263-W267 PolarHBondContact O-N 3.13Å; A264-W267 WeakPolarHBondContact O-CB 3.48Å; A264-W267 PolarHBondContact O-N 3.32Å; W267-E270 PolarHBondContact O-N 2.84Å; W267-N271 HydrophobicContact CD2-CB 4.18Å; W267-N271 HydrophobicContact CE3-CB 4.25Å; W267-N271 HydrophobicContact CH2-CB 4.06Å; W267-N271 HydrophobicContact CZ2-CB 3.98Å; W267-N271 HydrophobicContact CZ3-CB 4.19Å; W267-N271 VanDerWaalsContact O-CB 3.28Å; W267-N271 WeakPolarHBondContact O-CB 3.49Å; W267-N271 PolarHBondContact O-N 2.77Å; W267-N271 PolarHBondContact O-ND2 3.09Å; W267-F275 AromaticContact CH2-CE2 3.78Å; W267-F275 HydrophobicContact CH2-CE2 3.78Å; W267-F275 HydrophobicContact CH2-CZ 4.05Å; W267-F275 HydrophobicContact CZ3-CE2 4.5Å
268	V	98.4	Very high	97.6	Very high	1 Å²	1	22 Å²	22	1%	0.006	12%	0.123	C	C	.	.	H	α-helix	trans	-63	-50.3	177.5	171.7	0	0	0	0	110.3	L144 V202 V204 I233 A264 L265 R266 E270 N271 I272 I282	L144-V268 HydrophobicContact CD2-CG2 4.28Å; V202-V268 HydrophobicContact CG1-CG1 4.03Å; V204-V268 HydrophobicContact CG2-CG1 4.26Å; I233-V268 HydrophobicContact CD1-CB 4.29Å; I233-V268 HydrophobicContact CD1-CG1 3.71Å; I233-V268 HydrophobicContact CD1-CG2 3.5Å; I233-V268 VanDerWaalsContact CD1-CG2 3.5Å; I233-V268 HydrophobicContact CG2-CG2 4.48Å; A264-V268 VanDerWaalsContact O-CG2 3.27Å; A264-V268 WeakPolarHBondContact O-CG2 3.38Å; A264-V268 PolarHBondContact O-N 2.9Å; L265-V268 PolarHBondContact O-N 3.26Å; R266-V268 VanDerWaalsContact C-N 3.28Å; R266-V268 PolarHBondContact O-N 3.38Å; V268-E270 PolarHBondContact O-N 3.28Å; V268-N271 PolarHBondContact O-N 2.85Å; V268-I272 HydrophobicContact CG1-CB 4Å; V268-I272 HydrophobicContact CG1-CG1 4.27Å; V268-I272 HydrophobicContact CG1-CG2 4.26Å; V268-I272 WeakPolarHBondContact O-CB 3.39Å; V268-I272 WeakPolarHBondContact O-CG2 3.4Å; V268-I272 PolarHBondContact O-N 2.83Å; V268-I282 HydrophobicContact CG1-CD1 3.89Å; V268-I282 HydrophobicContact CG1-CG1 4.36Å
269	S	96.5	Very high	97.5	Very high	36 Å²	36	23.9 Å²	23.9	25%	0.252	14%	0.135	S	C	.	.	H	α-helix	trans	-55.3	-40.9	178.4	-173.1	0	0	0	0	112.3	L265 R266 P279	L265-S269 WeakPolarHBondContact O-CB 3.49Å; L265-S269 PolarHBondContact O-N 3.42Å; R266-S269 PolarHBondContact O-N 2.75Å; S269-P279 VanDerWaalsContact O-CB 3.29Å; S269-P279 WeakPolarHBondContact O-CB 3.33Å
270	E	97.2	Very high	97.4	Very high	103 Å²	103	32 Å²	32	48%	0.481	17%	0.165	S	C	.	.	H	α-helix	trans	-79.1	-32.6	-178.9	-68.5	171.5	-173.9	0	0	114	H47 R266 W267 V268	H47-E270 PolarHBondContact CD2-O 3.35Å; H47-E270 PolarHBondContact NE2-O 3.13Å; R266-E270 WeakPolarHBondContact O-CG 3.39Å; R266-E270 PolarHBondContact O-N 2.85Å; W267-E270 PolarHBondContact O-N 2.84Å; V268-E270 PolarHBondContact O-N 3.28Å
271	N	98	Very high	97.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-112.9	-17.7	-167.6	-64.9	-88.6	0	0	0	114.6	T46 H47 W267 V268 A273 F274 F275	T46-N271 WeakPolarHBondContact CB-OD1 3.27Å; H47-N271 PolarHBondContact CD2-OD1 2.91Å; H47-N271 PolarHBondContact N-OD1 3.4Å; W267-N271 HydrophobicContact CD2-CB 4.18Å; W267-N271 HydrophobicContact CE3-CB 4.25Å; W267-N271 HydrophobicContact CH2-CB 4.06Å; W267-N271 HydrophobicContact CZ2-CB 3.98Å; W267-N271 HydrophobicContact CZ3-CB 4.19Å; W267-N271 VanDerWaalsContact O-CB 3.28Å; W267-N271 WeakPolarHBondContact O-CB 3.49Å; W267-N271 PolarHBondContact O-N 2.77Å; W267-N271 PolarHBondContact O-ND2 3.09Å; V268-N271 PolarHBondContact O-N 2.85Å; N271-A273 PolarHBondContact O-N 3.26Å; N271-F274 HydrophobicContact CB-CD2 4.3Å; N271-F274 WeakPolarHBondContact O-CB 3.38Å; N271-F274 VanDerWaalsContact O-CD2 3.24Å; N271-F274 WeakPolarHBondContact O-CD2 3.47Å; N271-F274 PolarHBondContact O-N 3.41Å; N271-F275 WeakPolarHBondContact O-CD2 3.33Å
272	I	97.6	Very high	97.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-67.8	-22.8	-169.8	-155.2	58.6	0	0	0	113.5	V146 V202 I231 I233 V268 F274 F275 G276 G277 P279	V146-I272 HydrophobicContact CG1-CD1 4.14Å; V202-I272 HydrophobicContact CG1-CG1 4.04Å; V202-I272 HydrophobicContact CG2-CB 4.44Å; V202-I272 HydrophobicContact CG2-CG1 3.63Å; V202-I272 HydrophobicContact CG2-CG2 4.02Å; I231-I272 HydrophobicContact CD1-CD1 4.41Å; I231-I272 HydrophobicContact CD1-CG1 4.33Å; I231-I272 HydrophobicContact CG2-CD1 4.04Å; I233-I272 HydrophobicContact CD1-CD1 3.59Å; I233-I272 HydrophobicContact CD1-CG1 4.3Å; I233-I272 HydrophobicContact CG1-CD1 4.47Å; V268-I272 HydrophobicContact CG1-CB 4Å; V268-I272 HydrophobicContact CG1-CG1 4.27Å; V268-I272 HydrophobicContact CG1-CG2 4.26Å; V268-I272 WeakPolarHBondContact O-CB 3.39Å; V268-I272 WeakPolarHBondContact O-CG2 3.4Å; V268-I272 PolarHBondContact O-N 2.83Å; I272-F274 PolarHBondContact O-N 3.37Å; I272-F275 HydrophobicContact CD1-CB 4.16Å; I272-F275 HydrophobicContact CD1-CD2 4.17Å; I272-F275 HydrophobicContact CD1-CG 4.35Å; I272-F275 WeakPolarHBondContact O-CB 3.46Å; I272-F275 PolarHBondContact O-N 3.33Å; I272-G276 PolarHBondContact O-N 3.19Å; I272-G277 PolarHBondContact O-N 3.03Å; I272-P279 HydrophobicContact CG2-CB 4.28Å
273	A	96.5	Very high	97.4	Very high	56 Å²	56	35.3 Å²	35.3	46%	0.463	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-57.4	-34.5	172.7	0	0	0	0	0	112.6	N271 F275 G276 G277	N271-A273 PolarHBondContact O-N 3.26Å; A273-F275 PolarHBondContact O-N 2.83Å; A273-G276 PolarHBondContact O-N 3.15Å; A273-G277 WeakPolarHBondContact CA-O 3.33Å
274	F	96.3	Very high	97.4	Very high	87 Å²	87	34.7 Å²	34.7	38%	0.382	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-69.1	-19.3	177.2	-56.7	-62.9	0	0	0	113.4	V44 N45 H47 N271 I272	V44-F274 HydrophobicContact CG1-CB 3.71Å; N45-F274 WeakPolarHBondContact O-CB 3.41Å; N45-F274 WeakPolarHBondContact O-CD1 3.36Å; N45-F274 WeakPolarHBondContact O-CD2 3.44Å; N45-F274 WeakPolarHBondContact O-CG 3.22Å; H47-F274 AromaticContact CD2-CE2 3.56Å; H47-F274 AromaticContact CE1-CZ 3.79Å; H47-F274 AromaticContact NE2-CE2 3.52Å; H47-F274 AromaticContact NE2-CZ 3.63Å; N271-F274 HydrophobicContact CB-CD2 4.3Å; N271-F274 WeakPolarHBondContact O-CB 3.38Å; N271-F274 VanDerWaalsContact O-CD2 3.24Å; N271-F274 WeakPolarHBondContact O-CD2 3.47Å; N271-F274 PolarHBondContact O-N 3.41Å; I272-F274 PolarHBondContact O-N 3.37Å
275	F	96.3	Very high	97.4	Very high	12 Å²	12	34.6 Å²	34.6	5%	0.053	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-94.2	2.4	174.1	-61.3	-97.2	0	0	0	112.3	V44 T46 L51 Y69 V146 V148 I231 W267 N271 I272 A273	V44-F275 HydrophobicContact CB-CD1 4.34Å; V44-F275 HydrophobicContact CB-CE1 4.07Å; V44-F275 HydrophobicContact CB-CZ 4.36Å; V44-F275 HydrophobicContact CG1-CD1 4.06Å; V44-F275 HydrophobicContact CG1-CD2 4.05Å; V44-F275 HydrophobicContact CG1-CE1 3.88Å; V44-F275 HydrophobicContact CG1-CE2 3.86Å; V44-F275 HydrophobicContact CG1-CG 4.15Å; V44-F275 HydrophobicContact CG1-CZ 3.79Å; V44-F275 HydrophobicContact CG2-CD1 4.06Å; V44-F275 HydrophobicContact CG2-CE1 4.24Å; T46-F275 HydrophobicContact CG2-CE2 4.01Å; T46-F275 HydrophobicContact CG2-CZ 4.09Å; L51-F275 HydrophobicContact CD1-CZ 3.96Å; Y69-F275 AromaticContact CD1-CE1 3.93Å; Y69-F275 HydrophobicContact CD1-CE1 3.93Å; Y69-F275 AromaticContact CD2-CD1 3.82Å; Y69-F275 HydrophobicContact CD2-CD1 3.82Å; Y69-F275 AromaticContact CD2-CE1 3.66Å; Y69-F275 HydrophobicContact CD2-CE1 3.66Å; Y69-F275 HydrophobicContact CE1-CE1 4.14Å; Y69-F275 AromaticContact CE2-CD1 3.77Å; Y69-F275 HydrophobicContact CE2-CD1 3.77Å; Y69-F275 AromaticContact CE2-CE1 3.89Å; Y69-F275 HydrophobicContact CE2-CE1 3.89Å; Y69-F275 HydrophobicContact CG-CD1 4.33Å; Y69-F275 AromaticContact CG-CE1 3.68Å; Y69-F275 HydrophobicContact CG-CE1 3.68Å; V146-F275 HydrophobicContact CG1-CD1 4.05Å; V146-F275 HydrophobicContact CG1-CE1 4.47Å; V146-F275 HydrophobicContact CG1-CG 4.34Å; V148-F275 WeakPolarHBondContact CG1-O 3.44Å; V148-F275 HydrophobicContact CG2-CB 4.11Å; V148-F275 HydrophobicContact CG2-CD1 4.22Å; I231-F275 HydrophobicContact CD1-CB 4.15Å; I231-F275 WeakPolarHBondContact CD1-O 3.43Å; W267-F275 AromaticContact CH2-CE2 3.78Å; W267-F275 HydrophobicContact CH2-CE2 3.78Å; W267-F275 HydrophobicContact CH2-CZ 4.05Å; W267-F275 HydrophobicContact CZ3-CE2 4.5Å; N271-F275 WeakPolarHBondContact O-CD2 3.33Å; I272-F275 HydrophobicContact CD1-CB 4.16Å; I272-F275 HydrophobicContact CD1-CD2 4.17Å; I272-F275 HydrophobicContact CD1-CG 4.35Å; I272-F275 WeakPolarHBondContact O-CB 3.46Å; I272-F275 PolarHBondContact O-N 3.33Å; A273-F275 PolarHBondContact O-N 2.83Å
276	G	94.8	Very high	97.4	Very high	35 Å²	35	34.6 Å²	34.6	36%	0.361	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	16.9	-175.4	0	0	0	0	0	114.2	A199 K200 I272 A273	A199-G276 CarbonylContact C-O 3.53Å; A199-G276 WeakPolarHBondContact CA-O 3.12Å; K200-G276 PolarHBondContact N-O 3.44Å; I272-G276 PolarHBondContact O-N 3.19Å; A273-G276 PolarHBondContact O-N 3.15Å
277	G	96.6	Very high	97.3	Very high	2 Å²	2	31 Å²	31	2%	0.021	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	157.9	175.1	0	0	0	0	0	113.4	K200 I231 I272 A273	K200-G277 CarbonylContact O-C 3.57Å; K200-G277 WeakPolarHBondContact O-CA 3.44Å; I231-G277 VanDerWaalsContact CD1-CA 3.47Å; I231-G277 VanDerWaalsContact CD1-N 3.34Å; I272-G277 PolarHBondContact O-N 3.03Å; A273-G277 WeakPolarHBondContact CA-O 3.33Å
278	D	96.9	Very high	97.2	Very high	16 Å²	16	31.2 Å²	31.2	9%	0.086	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	109.8	176.6	-171.1	-10.1	0	0	0	109.8	A199 K200 R280 R281	A199-D278 HydrophobicContact CB-CB 3.67Å; K200-D278 PolarHBondContact O-N 3.31Å; D278-R280 PolarHBondContact O-N 3.42Å; D278-R280 VanDerWaalsContact O-N 3.11Å; D278-R280 WeakPolarHBondContact OD1-CB 3.31Å; D278-R280 PolarHBondContact OD1-N 3.29Å; D278-R280 IonicContact OD1-NE 3.41Å; D278-R281 HydrophobicContact CB-CB 4.29Å; D278-R281 CarbonylContact O-C 3.54Å; D278-R281 PolarHBondContact O-N 3.26Å; D278-R281 IonicContact OD2-CZ 3.94Å; D278-R281 IonicContact OD2-NE 3Å; D278-R281 PolarHBondContact OD2-NE 3.25Å; D278-R281 IonicContact OD2-NH2 2.71Å; D278-R281 PolarHBondContact OD2-NH2 3.27Å
279	P	96.6	Very high	97	Very high	40 Å²	40	31.4 Å²	31.4	26%	0.26	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	-12.9	-179.6	28.3	-35.3	0	0	0	113.2	S269 I272 I282 Q308	S269-P279 VanDerWaalsContact O-CB 3.29Å; S269-P279 WeakPolarHBondContact O-CB 3.33Å; I272-P279 HydrophobicContact CG2-CB 4.28Å; P279-I282 WeakPolarHBondContact O-CD1 3.07Å; P279-Q308 PolarHBondContact O-NE2 3.03Å
280	R	96.5	Very high	97	Very high	190 Å²	190	29.7 Å²	29.7	72%	0.717	15%	0.152	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	0.8	174.7	-56.7	-178.5	-62.2	176.5	2.6	113.5	D278 Q308	D278-R280 PolarHBondContact O-N 3.42Å; D278-R280 VanDerWaalsContact O-N 3.11Å; D278-R280 WeakPolarHBondContact OD1-CB 3.31Å; D278-R280 PolarHBondContact OD1-N 3.29Å; D278-R280 IonicContact OD1-NE 3.41Å; R280-Q308 WeakPolarHBondContact O-CG 3.27Å; R280-Q308 PolarHBondContact O-OE1 3.25Å
281	R	96.8	Very high	97.1	Very high	68 Å²	68	24.8 Å²	24.8	26%	0.257	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	56.9	177.1	-69.7	-174	-70.7	155.7	3.8	110.9	A199 P201 V202 D278 K566	A199-R281 PolarHBondContact O-NH2 3.48Å; P201-R281 HydrophobicContact CB-CB 4.38Å; V202-R281 PolarHBondContact N-O 3.09Å; D278-R281 HydrophobicContact CB-CB 4.29Å; D278-R281 CarbonylContact O-C 3.54Å; D278-R281 PolarHBondContact O-N 3.26Å; D278-R281 IonicContact OD2-CZ 3.94Å; D278-R281 IonicContact OD2-NE 3Å; D278-R281 PolarHBondContact OD2-NE 3.25Å; D278-R281 IonicContact OD2-NH2 2.71Å; D278-R281 PolarHBondContact OD2-NH2 3.27Å; R281-K566 WeakPolarHBondContact CD-O 3.28Å
282	I	98.5	Very high	97.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	124.7	170.9	-60.7	168.6	0	0	0	108.5	V202 V204 L265 V268 P279 V284 L306 F307 Q308 R309	V202-I282 HydrophobicContact CB-CG1 4.11Å; V202-I282 CarbonylContact O-C 3.55Å; V202-I282 WeakPolarHBondContact O-CA 3.37Å; V204-I282 HydrophobicContact CG2-CG2 3.9Å; L265-I282 HydrophobicContact CD2-CG2 4.45Å; V268-I282 HydrophobicContact CG1-CD1 3.89Å; V268-I282 HydrophobicContact CG1-CG1 4.36Å; P279-I282 WeakPolarHBondContact O-CD1 3.07Å; I282-V284 HydrophobicContact CG2-CG2 4.45Å; I282-L306 WeakPolarHBondContact CD1-O 3.43Å; I282-F307 HydrophobicContact CB-CB 4Å; I282-F307 HydrophobicContact CG2-CB 3.69Å; I282-Q308 PolarHBondContact O-N 2.9Å; I282-Q308 PolarHBondContact O-OE1 3.08Å; I282-R309 PolarHBondContact O-N 3.44Å
283	T	98.8	Very high	97.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	122.6	173.2	-57.8	0	0	0	0	108.5	V202 M203 V204 R309 I311 F564 A565	V202-T283 PolarHBondContact O-N 2.66Å; M203-T283 CarbonylContact C-O 3.58Å; M203-T283 VanDerWaalsContact CA-O 3.32Å; M203-T283 WeakPolarHBondContact CA-O 3.47Å; V204-T283 PolarHBondContact N-O 2.92Å; T283-R309 CarbonylContact C-O 3.53Å; T283-R309 WeakPolarHBondContact CA-O 3.47Å; T283-R309 HydrophobicContact CG2-CB 3.95Å; T283-I311 HydrophobicContact CG2-CD1 4.01Å; T283-I311 HydrophobicContact CG2-CG1 3.88Å; T283-F564 HydrophobicContact CG2-CD1 4.36Å; T283-F564 HydrophobicContact CG2-CE1 4.41Å; T283-A565 HydrophobicContact CG2-CB 4.37Å; T283-A565 WeakPolarHBondContact OG1-CA 3.4Å
284	V	98.7	Very high	97.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	134.8	176.3	-165.8	0	0	0	0	108.5	V204 I206 L265 I282 V294 F307 R309 A310 I311	V204-V284 CarbonylContact O-C 3.42Å; V204-V284 WeakPolarHBondContact O-CA 3.22Å; I206-V284 HydrophobicContact CD1-CG1 3.56Å; I206-V284 HydrophobicContact CG1-CG1 3.92Å; L265-V284 HydrophobicContact CD1-CG2 4.3Å; L265-V284 HydrophobicContact CD2-CG2 3.61Å; I282-V284 HydrophobicContact CG2-CG2 4.45Å; V284-V294 HydrophobicContact CB-CG2 4.47Å; V284-V294 HydrophobicContact CG1-CG2 3.75Å; V284-F307 HydrophobicContact CB-CD2 4.45Å; V284-F307 HydrophobicContact CG2-CB 3.68Å; V284-F307 HydrophobicContact CG2-CD1 3.7Å; V284-F307 HydrophobicContact CG2-CD2 3.77Å; V284-F307 HydrophobicContact CG2-CE1 4.22Å; V284-F307 HydrophobicContact CG2-CE2 4.29Å; V284-F307 HydrophobicContact CG2-CG 3.44Å; V284-F307 VanDerWaalsContact CG2-CG 3.44Å; V284-R309 PolarHBondContact N-O 2.94Å; V284-A310 CarbonylContact O-C 3.51Å; V284-A310 VanDerWaalsContact O-CA 3.28Å; V284-A310 WeakPolarHBondContact O-CA 3.43Å; V284-I311 PolarHBondContact O-N 3.4Å
285	F	98.7	Very high	97.2	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	151.4	-179.8	71.8	-61.7	0	0	0	112.1	M203 V204 Y205 I206 L224 I311 V530 F531	M203-F285 HydrophobicContact CB-CD1 4.2Å; M203-F285 HydrophobicContact CB-CE1 3.72Å; M203-F285 HydrophobicContact CB-CZ 4.47Å; M203-F285 HydrophobicContact CE-CD1 4.29Å; M203-F285 HydrophobicContact CE-CE1 4.28Å; M203-F285 HydrophobicContact CE-CG 4.48Å; M203-F285 HydrophobicContact CE-CZ 4.41Å; V204-F285 VanDerWaalsContact O-CD1 3.25Å; V204-F285 WeakPolarHBondContact O-CD1 3.29Å; V204-F285 PolarHBondContact O-N 3Å; Y205-F285 CarbonylContact C-O 3.5Å; Y205-F285 VanDerWaalsContact CA-O 3.27Å; Y205-F285 WeakPolarHBondContact CA-O 3.39Å; Y205-F285 HydrophobicContact CD2-CD1 4.32Å; Y205-F285 AromaticContact CD2-CD2 3.67Å; Y205-F285 HydrophobicContact CD2-CD2 3.67Å; Y205-F285 HydrophobicContact CD2-CE1 4.13Å; Y205-F285 AromaticContact CD2-CE2 3.48Å; Y205-F285 HydrophobicContact CD2-CE2 3.48Å; Y205-F285 VanDerWaalsContact CD2-CE2 3.48Å; Y205-F285 HydrophobicContact CD2-CG 4.08Å; Y205-F285 AromaticContact CD2-CZ 3.72Å; Y205-F285 HydrophobicContact CD2-CZ 3.72Å; Y205-F285 WeakPolarHBondContact CD2-O 3.45Å; Y205-F285 HydrophobicContact CE2-CD2 4.26Å; Y205-F285 HydrophobicContact CE2-CE2 4.19Å; Y205-F285 HydrophobicContact CG-CE1 4.36Å; Y205-F285 HydrophobicContact CG-CE2 4.28Å; Y205-F285 HydrophobicContact CG-CZ 4.07Å; I206-F285 PolarHBondContact N-O 3.04Å; L224-F285 HydrophobicContact CD2-CE2 4.45Å; L224-F285 HydrophobicContact CD2-CZ 4.08Å; F285-I311 VanDerWaalsContact CA-O 3.27Å; F285-I311 WeakPolarHBondContact CA-O 3.05Å; F285-I311 HydrophobicContact CB-CB 3.64Å; F285-I311 HydrophobicContact CB-CD1 4.33Å; F285-I311 HydrophobicContact CB-CG1 4.23Å; F285-V530 HydrophobicContact CD2-CG1 4.5Å; F285-V530 HydrophobicContact CE2-CG1 4.03Å; F285-F531 HydrophobicContact CE2-CE1 4.11Å; F285-F531 HydrophobicContact CE2-CE2 4.19Å; F285-F531 AromaticContact CE2-CZ 3.5Å; F285-F531 HydrophobicContact CE2-CZ 3.5Å; F285-F531 VanDerWaalsContact CE2-CZ 3.5Å; F285-F531 AromaticContact CZ-CE1 3.89Å; F285-F531 HydrophobicContact CZ-CE1 3.89Å; F285-F531 AromaticContact CZ-CZ 3.64Å; F285-F531 HydrophobicContact CZ-CZ 3.64Å
286	G	98.4	Very high	97.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	166.1	-179.4	0	0	0	0	0	111	I206 A291 I311 Q313	I206-G286 WeakPolarHBondContact O-CA 3.31Å; G286-A291 WeakPolarHBondContact O-CB 3.48Å; G286-I311 PolarHBondContact N-O 3.29Å; G286-Q313 VanDerWaalsContact O-CB 3.27Å; G286-Q313 WeakPolarHBondContact O-CB 3.13Å; G286-Q313 WeakPolarHBondContact O-CG 3.33Å; G286-Q313 PolarHBondContact O-N 3.4Å; G286-Q313 VanDerWaalsContact O-N 3.13Å
287	S	97.3	Very high	97.4	Very high	4 Å²	4	15.8 Å²	15.8	3%	0.028	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	142.2	174.4	-179.8	0	0	0	0	110.6	I289 G290 Q313 E526	S287-I289 PolarHBondContact O-N 3.04Å; S287-G290 PolarHBondContact O-N 3.11Å; S287-Q313 CarbonylContact C-O 3.47Å; S287-Q313 VanDerWaalsContact CA-O 3.29Å; S287-Q313 WeakPolarHBondContact CA-O 3.22Å; S287-E526 WeakPolarHBondContact CB-OE1 3.35Å; S287-E526 PolarHBondContact OG-OE1 2.99Å
288	G	95.5	Very high	97.4	Very high	5 Å²	5	15.8 Å²	15.8	5%	0.052	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	-123.1	-178.1	0	0	0	0	0	111.3	G290 A291 S292 Q313 S314	G288-G290 PolarHBondContact O-N 2.77Å; G288-A291 WeakPolarHBondContact O-CA 3.48Å; G288-A291 VanDerWaalsContact O-CB 3.23Å; G288-A291 WeakPolarHBondContact O-CB 3.47Å; G288-A291 PolarHBondContact O-N 3.32Å; G288-S292 PolarHBondContact O-N 3.41Å; G288-Q313 PolarHBondContact N-O 3.18Å; G288-S314 WeakPolarHBondContact CA-O 3.22Å
289	I	94.8	Very high	97.4	Very high	5 Å²	5	15.1 Å²	15.1	3%	0.026	7%	0.065	C	C	.	.	H	α-helix	trans	-63.6	-29	175.9	-82.7	165.2	0	0	0	113.4	Y211 S287 A291 S292 C293	Y211-I289 HydrophobicContact CD1-CG2 3.53Å; Y211-I289 HydrophobicContact CD2-CD1 3.96Å; Y211-I289 HydrophobicContact CD2-CG1 4.26Å; Y211-I289 HydrophobicContact CD2-CG2 3.82Å; Y211-I289 HydrophobicContact CE1-CG2 3.46Å; Y211-I289 VanDerWaalsContact CE1-CG2 3.46Å; Y211-I289 HydrophobicContact CE2-CB 4.39Å; Y211-I289 HydrophobicContact CE2-CD1 4.03Å; Y211-I289 HydrophobicContact CE2-CG1 3.87Å; Y211-I289 HydrophobicContact CE2-CG2 3.71Å; Y211-I289 HydrophobicContact CG-CG2 3.72Å; S287-I289 PolarHBondContact O-N 3.04Å; I289-A291 PolarHBondContact O-N 2.81Å; I289-S292 PolarHBondContact O-N 2.88Å; I289-C293 PolarHBondContact O-N 3.02Å; I289-C293 PolarHBondContact O-SG 2.73Å; I289-C293 VanDerWaalsContact O-SG 3.38Å
290	G	97.1	Very high	97.4	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-61.3	-36.4	169.6	0	0	0	0	0	111.6	I206 S287 G288 C293 V294	I206-G290 WeakPolarHBondContact O-CA 3.42Å; S287-G290 PolarHBondContact O-N 3.11Å; G288-G290 PolarHBondContact O-N 2.77Å; G290-C293 WeakPolarHBondContact O-CB 3.4Å; G290-C293 PolarHBondContact O-N 3.06Å; G290-V294 WeakPolarHBondContact O-CG2 3.27Å; G290-V294 PolarHBondContact O-N 2.8Å
291	A	98	Very high	97.3	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-72.4	-36.9	175	0	0	0	0	0	112.2	G286 G288 I289 C293 V294 S295 I312 Q313	G286-A291 WeakPolarHBondContact O-CB 3.48Å; G288-A291 WeakPolarHBondContact O-CA 3.48Å; G288-A291 VanDerWaalsContact O-CB 3.23Å; G288-A291 WeakPolarHBondContact O-CB 3.47Å; G288-A291 PolarHBondContact O-N 3.32Å; I289-A291 PolarHBondContact O-N 2.81Å; A291-C293 VanDerWaalsContact C-N 3.34Å; A291-V294 PolarHBondContact O-N 2.94Å; A291-S295 PolarHBondContact O-N 2.82Å; A291-I312 HydrophobicContact CB-CB 4.49Å; A291-I312 HydrophobicContact CB-CG2 3.76Å; A291-Q313 WeakPolarHBondContact CB-O 2.97Å
292	S	97.5	Very high	97.2	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-60.4	-41.7	170.1	-64	0	0	0	0	111.7	Y211 G288 I289 S295 L296 S316	Y211-S292 VanDerWaalsContact OH-CB 3.3Å; Y211-S292 WeakPolarHBondContact OH-CB 3.47Å; G288-S292 PolarHBondContact O-N 3.41Å; I289-S292 PolarHBondContact O-N 2.88Å; S292-S295 PolarHBondContact O-N 3.5Å; S292-L296 WeakPolarHBondContact O-CB 3.46Å; S292-L296 VanDerWaalsContact O-CG 3.3Å; S292-L296 WeakPolarHBondContact O-CG 3.41Å; S292-L296 PolarHBondContact O-N 3.45Å; S292-S316 WeakPolarHBondContact CB-O 3.32Å; S292-S316 PolarHBondContact OG-N 3.01Å; S292-S316 PolarHBondContact OG-O 3.34Å
293	C	98.2	Very high	97.1	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-57.1	-50.1	169.8	-70.1	0	0	0	0	111.6	I206 Y211 L258 Q261 I289 G290 A291 S295 L296 L297	I206-C293 HydrophobicContact CG2-CB 3.92Å; Y211-C293 VanDerWaalsContact CE1-SG 3.51Å; L258-C293 HydrophobicContact CD2-CB 4.28Å; Q261-C293 PolarHBondContact NE2-SG 3.33Å; Q261-C293 VanDerWaalsContact NE2-SG 3.42Å; I289-C293 PolarHBondContact O-N 3.02Å; I289-C293 PolarHBondContact O-SG 2.73Å; I289-C293 VanDerWaalsContact O-SG 3.38Å; G290-C293 WeakPolarHBondContact O-CB 3.4Å; G290-C293 PolarHBondContact O-N 3.06Å; A291-C293 VanDerWaalsContact C-N 3.34Å; C293-S295 VanDerWaalsContact C-N 3.3Å; C293-S295 PolarHBondContact O-N 3.46Å; C293-L296 PolarHBondContact O-N 3.23Å; C293-L296 VanDerWaalsContact O-N 3.15Å; C293-L297 VanDerWaalsContact O-CG 3.27Å; C293-L297 WeakPolarHBondContact O-CG 3.38Å; C293-L297 PolarHBondContact O-N 3.18Å
294	V	98.2	Very high	96.8	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-57.3	-44.9	177.8	174.5	0	0	0	0	111.2	I206 V284 G290 A291 L296 L297 T298 A310 I312	I206-V294 HydrophobicContact CB-CG2 4.46Å; I206-V294 HydrophobicContact CD1-CG2 4.05Å; I206-V294 HydrophobicContact CG1-CG2 4.48Å; V284-V294 HydrophobicContact CB-CG2 4.47Å; V284-V294 HydrophobicContact CG1-CG2 3.75Å; G290-V294 WeakPolarHBondContact O-CG2 3.27Å; G290-V294 PolarHBondContact O-N 2.8Å; A291-V294 PolarHBondContact O-N 2.94Å; V294-L296 PolarHBondContact O-N 3.08Å; V294-L297 PolarHBondContact O-N 3.25Å; V294-T298 WeakPolarHBondContact O-CG2 3.36Å; V294-T298 PolarHBondContact O-N 2.71Å; V294-T298 VanDerWaalsContact O-N 3.12Å; V294-A310 HydrophobicContact CG1-CB 3.63Å; V294-I312 HydrophobicContact CB-CG1 4.5Å; V294-I312 HydrophobicContact CG1-CG1 3.95Å
295	S	97.5	Very high	96.5	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-59.9	-45.2	176	-168.8	0	0	0	0	111.7	A291 S292 C293 T298 L299 A317 M391	A291-S295 PolarHBondContact O-N 2.82Å; S292-S295 PolarHBondContact O-N 3.5Å; C293-S295 VanDerWaalsContact C-N 3.3Å; C293-S295 PolarHBondContact O-N 3.46Å; S295-T298 PolarHBondContact O-N 2.93Å; S295-T298 PolarHBondContact O-OG1 3.22Å; S295-L299 WeakPolarHBondContact O-CG 3.44Å; S295-A317 WeakPolarHBondContact OG-CB 3.38Å; S295-A317 PolarHBondContact OG-N 2.93Å; S295-M391 WeakPolarHBondContact OG-CE 3.42Å
296	L	97.8	Very high	96.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-65.3	-37.9	177.1	-72	165	0	0	0	112.3	L258 S292 C293 V294 T298 L299 S300 A317 V323 P376 I383 P387	L258-L296 HydrophobicContact CD1-CB 4.49Å; L258-L296 HydrophobicContact CD1-CD1 4.43Å; S292-L296 WeakPolarHBondContact O-CB 3.46Å; S292-L296 VanDerWaalsContact O-CG 3.3Å; S292-L296 WeakPolarHBondContact O-CG 3.41Å; S292-L296 PolarHBondContact O-N 3.45Å; C293-L296 PolarHBondContact O-N 3.23Å; C293-L296 VanDerWaalsContact O-N 3.15Å; V294-L296 PolarHBondContact O-N 3.08Å; L296-T298 VanDerWaalsContact C-N 3.28Å; L296-T298 PolarHBondContact O-N 2.78Å; L296-L299 PolarHBondContact O-N 3.41Å; L296-S300 PolarHBondContact O-N 3.07Å; L296-A317 HydrophobicContact CD2-CB 3.77Å; L296-A317 HydrophobicContact CG-CB 3.89Å; L296-V323 HydrophobicContact CD2-CG2 4.22Å; L296-P376 HydrophobicContact CD1-CB 3.65Å; L296-P376 HydrophobicContact CD1-CG 3.55Å; L296-I383 HydrophobicContact CB-CD1 4.03Å; L296-I383 HydrophobicContact CD2-CD1 3.87Å; L296-I383 HydrophobicContact CD2-CG1 4.41Å; L296-P387 HydrophobicContact CD2-CG 3.94Å
297	L	97.7	Very high	96.4	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-62.8	-35	176.1	-70.3	174.5	0	0	0	111.9	I206 Q261 I262 L265 C293 V294 L299 S300 S303 F307	I206-L297 HydrophobicContact CD1-CD1 3.45Å; I206-L297 VanDerWaalsContact CD1-CD1 3.45Å; Q261-L297 HydrophobicContact CB-CD1 4.27Å; I262-L297 HydrophobicContact CD1-CD2 3.99Å; I262-L297 HydrophobicContact CG1-CD2 3.52Å; L265-L297 HydrophobicContact CD1-CD1 4.08Å; C293-L297 VanDerWaalsContact O-CG 3.27Å; C293-L297 WeakPolarHBondContact O-CG 3.38Å; C293-L297 PolarHBondContact O-N 3.18Å; V294-L297 PolarHBondContact O-N 3.25Å; L297-L299 PolarHBondContact O-N 3.13Å; L297-S300 PolarHBondContact O-N 2.58Å; L297-S303 WeakPolarHBondContact O-CB 3.23Å; L297-S303 PolarHBondContact O-OG 3.17Å; L297-F307 HydrophobicContact CB-CE1 4.3Å; L297-F307 HydrophobicContact CB-CZ 4.25Å
298	T	96.8	Very high	96.3	Very high	2 Å²	2	19 Å²	19	1%	0.012	11%	0.107	C	C	.	.	H	α-helix	trans	-68.2	-17.9	174.7	63.7	0	0	0	0	113.7	V294 S295 L296 F307 A310 F396 Y399	V294-T298 WeakPolarHBondContact O-CG2 3.36Å; V294-T298 PolarHBondContact O-N 2.71Å; V294-T298 VanDerWaalsContact O-N 3.12Å; S295-T298 PolarHBondContact O-N 2.93Å; S295-T298 PolarHBondContact O-OG1 3.22Å; L296-T298 VanDerWaalsContact C-N 3.28Å; L296-T298 PolarHBondContact O-N 2.78Å; T298-F307 HydrophobicContact CG2-CE2 3.98Å; T298-F307 HydrophobicContact CG2-CZ 4.02Å; T298-A310 HydrophobicContact CG2-CB 3.88Å; T298-F396 WeakPolarHBondContact O-CA 3.32Å; T298-F396 WeakPolarHBondContact O-CB 3.18Å; T298-Y399 HydrophobicContact CG2-CD2 3.98Å; T298-Y399 HydrophobicContact CG2-CE2 4.3Å; T298-Y399 HydrophobicContact CG2-CG 4.31Å; T298-Y399 WeakPolarHBondContact O-CE2 3.3Å
299	L	96.4	Very high	96.5	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.016	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-4.3	178.7	-59.1	170.9	0	0	0	112.7	S295 L296 L297 A317 P387 L390 M391 F396	S295-L299 WeakPolarHBondContact O-CG 3.44Å; L296-L299 PolarHBondContact O-N 3.41Å; L297-L299 PolarHBondContact O-N 3.13Å; L299-A317 HydrophobicContact CD1-CB 4.17Å; L299-P387 HydrophobicContact CD1-CB 3.84Å; L299-L390 HydrophobicContact CB-CB 4.4Å; L299-L390 HydrophobicContact CB-CD1 4.06Å; L299-L390 HydrophobicContact CD1-CB 4.47Å; L299-L390 HydrophobicContact CD2-CB 4.02Å; L299-M391 HydrophobicContact CD1-CE 3.88Å; L299-M391 HydrophobicContact CD1-CG 4.15Å; L299-M391 HydrophobicContact CD2-CG 3.69Å; L299-F396 HydrophobicContact CD2-CB 3.85Å; L299-F396 HydrophobicContact CD2-CD1 4.49Å; L299-F396 HydrophobicContact CD2-CD2 4.1Å; L299-F396 HydrophobicContact CD2-CG 3.91Å
300	S	96.2	Very high	96.6	Very high	3 Å²	3	19.6 Å²	19.6	2%	0.021	11%	0.108	C	C	.	.			trans	-96.9	124.5	-177.8	-172.4	0	0	0	0	111	L296 L297 H302 S303 V382	L296-S300 PolarHBondContact O-N 3.07Å; L297-S300 PolarHBondContact O-N 2.58Å; S300-H302 PolarHBondContact O-N 2.74Å; S300-H302 VanDerWaalsContact O-N 3.14Å; S300-S303 WeakPolarHBondContact O-CB 3.35Å; S300-S303 PolarHBondContact O-N 3.47Å; S300-V382 WeakPolarHBondContact CB-O 3.31Å; S300-V382 PolarHBondContact OG-O 3.23Å
301	H	94.9	Very high	96.7	Very high	82 Å²	82	19.6 Å²	19.6	38%	0.38	11%	0.108	S	C	.	.	G	3₁₀ helix	trans	-60.4	-24.4	175.1	72.1	-95.6	0	0	0	112.8	S303 E304 D381	H301-S303 PolarHBondContact O-N 3.06Å; H301-E304 WeakPolarHBondContact O-CG 3.38Å; H301-E304 PolarHBondContact O-N 3.32Å; H301-D381 PolarHBondContact CE1-O 2.71Å; H301-D381 IonicContact CE1-OD1 3.25Å; H301-D381 PolarHBondContact CE1-OD1 2.74Å; H301-D381 PolarHBondContact ND1-O 3.48Å; H301-D381 IonicContact NE2-OD1 3.77Å
302	H	95.3	Very high	96.7	Very high	49 Å²	49	19.6 Å²	19.6	23%	0.227	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-67.6	-17.1	176.6	-74.5	-85.6	0	0	0	113.9	I262 R266 S300 D381	I262-H302 HydrophobicContact CD1-CB 3.79Å; I262-H302 HydrophobicContact CG2-CB 4.32Å; R266-H302 PolarHBondContact NH2-O 2.94Å; S300-H302 PolarHBondContact O-N 2.74Å; S300-H302 VanDerWaalsContact O-N 3.14Å; H302-D381 IonicContact CD2-OD1 3.71Å; H302-D381 IonicContact CE1-OD1 2.8Å; H302-D381 IonicContact NE2-OD1 2.94Å; H302-D381 PolarHBondContact NE2-OD1 2.96Å
303	S	95.1	Very high	96.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-94.3	-8	-179.2	-61.8	0	0	0	0	113.9	L297 S300 H301 G305 L306	L297-S303 WeakPolarHBondContact O-CB 3.23Å; L297-S303 PolarHBondContact O-OG 3.17Å; S300-S303 WeakPolarHBondContact O-CB 3.35Å; S300-S303 PolarHBondContact O-N 3.47Å; H301-S303 PolarHBondContact O-N 3.06Å; S303-G305 PolarHBondContact O-N 3.13Å; S303-L306 WeakPolarHBondContact O-CB 3.33Å; S303-L306 PolarHBondContact O-N 3.41Å; S303-L306 VanDerWaalsContact O-N 3.15Å
304	E	92.7	Very high	96.8	Very high	114 Å²	114	19.6 Å²	19.6	53%	0.533	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	133.2	-176.6	-73.6	178.6	-156.8	0	0	111.8	H301 L306	H301-E304 WeakPolarHBondContact O-CG 3.38Å; H301-E304 PolarHBondContact O-N 3.32Å; E304-L306 PolarHBondContact O-N 3.35Å; E304-L306 VanDerWaalsContact O-N 3.13Å
305	G	92.5	Very high	96.7	Very high	62 Å²	62	19.7 Å²	19.7	64%	0.639	11%	0.109	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.9	-3	179.7	0	0	0	0	0	115.7	S303	S303-G305 PolarHBondContact O-N 3.13Å
306	L	96.7	Very high	96.6	Very high	20 Å²	20	19.7 Å²	19.7	11%	0.105	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-29.4	179.5	-58.6	-173.9	0	0	0	113.5	I262 L265 R266 I282 S303 E304	I262-L306 HydrophobicContact CG2-CD1 3.91Å; L265-L306 HydrophobicContact CB-CB 4.17Å; L265-L306 HydrophobicContact CB-CD1 4.05Å; R266-L306 HydrophobicContact CG-CD1 3.71Å; R266-L306 HydrophobicContact CG-CD2 3.71Å; R266-L306 HydrophobicContact CG-CG 4.4Å; I282-L306 WeakPolarHBondContact CD1-O 3.43Å; S303-L306 WeakPolarHBondContact O-CB 3.33Å; S303-L306 PolarHBondContact O-N 3.41Å; S303-L306 VanDerWaalsContact O-N 3.15Å; E304-L306 PolarHBondContact O-N 3.35Å; E304-L306 VanDerWaalsContact O-N 3.13Å
307	F	97.6	Very high	96.6	Very high	4 Å²	4	19.8 Å²	19.8	2%	0.018	11%	0.109	C	C	.	.			trans	-147.1	166.1	175.5	64.1	-89.2	0	0	0	110.6	L265 I282 V284 L297 T298 R309 Y399	L265-F307 HydrophobicContact CD1-CD1 3.9Å; L265-F307 HydrophobicContact CD1-CE1 4.08Å; I282-F307 HydrophobicContact CB-CB 4Å; I282-F307 HydrophobicContact CG2-CB 3.69Å; V284-F307 HydrophobicContact CB-CD2 4.45Å; V284-F307 HydrophobicContact CG2-CB 3.68Å; V284-F307 HydrophobicContact CG2-CD1 3.7Å; V284-F307 HydrophobicContact CG2-CD2 3.77Å; V284-F307 HydrophobicContact CG2-CE1 4.22Å; V284-F307 HydrophobicContact CG2-CE2 4.29Å; V284-F307 HydrophobicContact CG2-CG 3.44Å; V284-F307 VanDerWaalsContact CG2-CG 3.44Å; L297-F307 HydrophobicContact CB-CE1 4.3Å; L297-F307 HydrophobicContact CB-CZ 4.25Å; T298-F307 HydrophobicContact CG2-CE2 3.98Å; T298-F307 HydrophobicContact CG2-CZ 4.02Å; F307-R309 WeakPolarHBondContact CD2-O 3.46Å; F307-Y399 AromaticContact CD2-CD1 3.84Å; F307-Y399 HydrophobicContact CD2-CD1 3.84Å; F307-Y399 AromaticContact CD2-CE1 3.75Å; F307-Y399 HydrophobicContact CD2-CE1 3.75Å; F307-Y399 HydrophobicContact CE1-CE1 4.48Å; F307-Y399 AromaticContact CE2-CD1 3.59Å; F307-Y399 HydrophobicContact CE2-CD1 3.59Å; F307-Y399 AromaticContact CE2-CE1 3.46Å; F307-Y399 HydrophobicContact CE2-CE1 3.46Å; F307-Y399 VanDerWaalsContact CE2-CE1 3.46Å; F307-Y399 HydrophobicContact CE2-CG 4.29Å; F307-Y399 HydrophobicContact CG-CE1 4.36Å; F307-Y399 HydrophobicContact CZ-CD1 4.4Å; F307-Y399 AromaticContact CZ-CE1 3.87Å; F307-Y399 HydrophobicContact CZ-CE1 3.87Å; F307-Y399 WeakPolarHBondContact O-CE1 3.28Å
308	Q	96.6	Very high	96.6	Very high	48 Å²	48	21.7 Å²	21.7	22%	0.224	12%	0.119	C	C	.	.	S	Bend	trans	-116.5	-20.6	-173.4	-62	77.5	34.4	0	0	112.8	P279 R280 I282 Y399 D400	P279-Q308 PolarHBondContact O-NE2 3.03Å; R280-Q308 WeakPolarHBondContact O-CG 3.27Å; R280-Q308 PolarHBondContact O-OE1 3.25Å; I282-Q308 PolarHBondContact O-N 2.9Å; I282-Q308 PolarHBondContact O-OE1 3.08Å; Q308-Y399 WeakPolarHBondContact O-CA 3.44Å; Q308-D400 PolarHBondContact O-N 3.29Å
309	R	98	Very high	96.5	Very high	23 Å²	23	21.9 Å²	21.9	9%	0.087	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	151.2	-174.5	-46.1	-171.1	-177.4	90	1	112.1	I282 T283 V284 F307 D400 F564 A565 G568	I282-R309 PolarHBondContact O-N 3.44Å; T283-R309 CarbonylContact C-O 3.53Å; T283-R309 WeakPolarHBondContact CA-O 3.47Å; T283-R309 HydrophobicContact CG2-CB 3.95Å; V284-R309 PolarHBondContact N-O 2.94Å; F307-R309 WeakPolarHBondContact CD2-O 3.46Å; R309-D400 CarbonylContact C-O 3.58Å; R309-D400 VanDerWaalsContact CA-O 3.27Å; R309-D400 WeakPolarHBondContact CA-O 3.22Å; R309-D400 HydrophobicContact CB-CB 4.26Å; R309-D400 HydrophobicContact CG-CB 3.89Å; R309-D400 IonicContact NE-OD2 3.64Å; R309-D400 PolarHBondContact NE-OD2 2.9Å; R309-F564 HydrophobicContact CB-CE1 3.84Å; R309-F564 HydrophobicContact CB-CZ 4.23Å; R309-F564 WeakPolarHBondContact CD-O 3.42Å; R309-A565 PolarHBondContact NH1-O 3.06Å; R309-G568 VanDerWaalsContact NE-CA 3.32Å; R309-G568 VanDerWaalsContact NE-N 3.17Å
310	A	98.5	Very high	96.3	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	139.2	176.9	0	0	0	0	0	111.4	V284 V294 T298 I312 D400 I401 M402 F564	V284-A310 CarbonylContact O-C 3.51Å; V284-A310 VanDerWaalsContact O-CA 3.28Å; V284-A310 WeakPolarHBondContact O-CA 3.43Å; V294-A310 HydrophobicContact CG1-CB 3.63Å; T298-A310 HydrophobicContact CG2-CB 3.88Å; A310-I312 HydrophobicContact CB-CG1 4.4Å; A310-D400 PolarHBondContact N-O 3.4Å; A310-I401 HydrophobicContact CB-CG1 4.27Å; A310-I401 WeakPolarHBondContact O-CA 3.45Å; A310-M402 PolarHBondContact O-N 2.96Å; A310-F564 WeakPolarHBondContact O-CE1 3.29Å
311	I	98.8	Very high	96.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	115.1	166.9	-47.5	175.2	0	0	0	109.1	M203 T283 V284 F285 G286 Q313 M402 W561 F564	M203-I311 HydrophobicContact CE-CD1 4.09Å; T283-I311 HydrophobicContact CG2-CD1 4.01Å; T283-I311 HydrophobicContact CG2-CG1 3.88Å; V284-I311 PolarHBondContact O-N 3.4Å; F285-I311 VanDerWaalsContact CA-O 3.27Å; F285-I311 WeakPolarHBondContact CA-O 3.05Å; F285-I311 HydrophobicContact CB-CB 3.64Å; F285-I311 HydrophobicContact CB-CD1 4.33Å; F285-I311 HydrophobicContact CB-CG1 4.23Å; G286-I311 PolarHBondContact N-O 3.29Å; I311-Q313 HydrophobicContact CG2-CG 4.06Å; I311-M402 CarbonylContact C-O 3.35Å; I311-M402 VanDerWaalsContact CA-O 3.22Å; I311-M402 WeakPolarHBondContact CA-O 3.44Å; I311-M402 HydrophobicContact CD1-SD 4.47Å; I311-M402 HydrophobicContact CG1-CB 4.25Å; I311-M402 HydrophobicContact CG2-CB 4.16Å; I311-M402 HydrophobicContact CG2-CG 4.15Å; I311-M402 HydrophobicContact CG2-SD 3.96Å; I311-W561 HydrophobicContact CD1-CB 4.46Å; I311-W561 HydrophobicContact CD1-CG 4.07Å; I311-F564 HydrophobicContact CD1-CD1 3.86Å; I311-F564 HydrophobicContact CD1-CE1 4.43Å; I311-F564 HydrophobicContact CG1-CD1 3.67Å; I311-F564 HydrophobicContact CG1-CE1 3.73Å
312	I	98.6	Very high	96.3	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	93	-170.6	-55	175.9	0	0	0	108.4	A291 V294 A310 G315 I401 M402 L403 G404	A291-I312 HydrophobicContact CB-CB 4.49Å; A291-I312 HydrophobicContact CB-CG2 3.76Å; V294-I312 HydrophobicContact CB-CG1 4.5Å; V294-I312 HydrophobicContact CG1-CG1 3.95Å; A310-I312 HydrophobicContact CB-CG1 4.4Å; I312-G315 WeakPolarHBondContact CG2-O 3.25Å; I312-I401 HydrophobicContact CD1-CG2 3.94Å; I312-I401 HydrophobicContact CG1-CG2 4.39Å; I312-M402 PolarHBondContact N-O 3.08Å; I312-L403 HydrophobicContact CB-CB 3.91Å; I312-L403 VanDerWaalsContact O-CA 3.26Å; I312-L403 WeakPolarHBondContact O-CA 3.23Å; I312-L403 WeakPolarHBondContact O-CB 3.45Å; I312-G404 PolarHBondContact O-N 2.84Å
313	Q	98.6	Very high	96.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	117.9	-176.2	-52.4	169.6	-172.6	0	0	110.6	G286 S287 G288 A291 I311 G315 Y504 E526 W561	G286-Q313 VanDerWaalsContact O-CB 3.27Å; G286-Q313 WeakPolarHBondContact O-CB 3.13Å; G286-Q313 WeakPolarHBondContact O-CG 3.33Å; G286-Q313 PolarHBondContact O-N 3.4Å; G286-Q313 VanDerWaalsContact O-N 3.13Å; S287-Q313 CarbonylContact C-O 3.47Å; S287-Q313 VanDerWaalsContact CA-O 3.29Å; S287-Q313 WeakPolarHBondContact CA-O 3.22Å; G288-Q313 PolarHBondContact N-O 3.18Å; A291-Q313 WeakPolarHBondContact CB-O 2.97Å; I311-Q313 HydrophobicContact CG2-CG 4.06Å; Q313-G315 VanDerWaalsContact C-N 3.28Å; Q313-G315 PolarHBondContact O-N 3.49Å; Q313-Y504 WeakPolarHBondContact CA-OH 3.06Å; Q313-Y504 VanDerWaalsContact CB-OH 3.3Å; Q313-Y504 WeakPolarHBondContact CB-OH 3.27Å; Q313-E526 HydrophobicContact CB-CG 4.46Å; Q313-E526 PolarHBondContact NE2-OE1 3.16Å; Q313-E526 VanDerWaalsContact NE2-OE1 3.11Å; Q313-W561 HydrophobicContact CG-CZ2 4.49Å
314	S	97.7	Very high	96.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	53.4	43.3	171.7	-61.1	0	0	0	0	113.6	G288 G404 E409 W483 H523	G288-S314 WeakPolarHBondContact CA-O 3.22Å; S314-G404 PolarHBondContact N-O 3.38Å; S314-E409 WeakPolarHBondContact CB-OE1 3.28Å; S314-E409 PolarHBondContact OG-OE1 3.13Å; S314-W483 PolarHBondContact O-NE1 2.77Å; S314-H523 PolarHBondContact O-CE1 3.07Å
315	G	95.9	Very high	96.6	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.01	10%	0.102	C	C	.	.			trans	-165.2	166.3	175.8	0	0	0	0	0	111.8	I312 Q313	I312-G315 WeakPolarHBondContact CG2-O 3.25Å; Q313-G315 VanDerWaalsContact C-N 3.28Å; Q313-G315 PolarHBondContact O-N 3.49Å
316	S	96.8	Very high	96.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.095	C	C	.	.			trans	-156.9	159.3	175.9	174.8	0	0	0	0	108.8	S292 L318 A322 T490	S292-S316 WeakPolarHBondContact CB-O 3.32Å; S292-S316 PolarHBondContact OG-N 3.01Å; S292-S316 PolarHBondContact OG-O 3.34Å; S316-L318 PolarHBondContact O-N 3.26Å; S316-L318 PolarHBondContact OG-N 2.73Å; S316-L318 VanDerWaalsContact OG-N 3.09Å; S316-A322 WeakPolarHBondContact O-CB 3.33Å; S316-T490 PolarHBondContact OG-OG1 2.97Å
317	A	97.3	Very high	96.8	Very high	2 Å²	2	20 Å²	20	2%	0.017	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-12.1	167.3	0	0	0	0	0	113	S295 L296 L299 A322 P387 M391	S295-A317 WeakPolarHBondContact OG-CB 3.38Å; S295-A317 PolarHBondContact OG-N 2.93Å; L296-A317 HydrophobicContact CD2-CB 3.77Å; L296-A317 HydrophobicContact CG-CB 3.89Å; L299-A317 HydrophobicContact CD1-CB 4.17Å; A317-A322 WeakPolarHBondContact O-CB 3.48Å; A317-P387 HydrophobicContact CB-CB 3.73Å; A317-P387 HydrophobicContact CB-CG 4.19Å; A317-M391 HydrophobicContact CB-CE 3.98Å
318	L	96.9	Very high	96.7	Very high	41 Å²	41	23.3 Å²	23.3	22%	0.215	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-10.3	-176.8	-54.2	179.3	0	0	0	114.1	S316 P387 E388 M391 P486 V489	S316-L318 PolarHBondContact O-N 3.26Å; S316-L318 PolarHBondContact OG-N 2.73Å; S316-L318 VanDerWaalsContact OG-N 3.09Å; L318-P387 HydrophobicContact CD2-CB 4.12Å; L318-E388 HydrophobicContact CD2-CB 3.8Å; L318-E388 HydrophobicContact CD2-CG 4.42Å; L318-M391 HydrophobicContact CD1-SD 3.95Å; L318-M391 HydrophobicContact CD2-CE 4.25Å; L318-M391 HydrophobicContact CD2-SD 4.16Å; L318-M391 HydrophobicContact CG-CE 4.09Å; L318-M391 HydrophobicContact CG-SD 4.11Å; L318-P486 HydrophobicContact CB-CB 4.12Å; L318-V489 HydrophobicContact CD1-CB 4.02Å; L318-V489 HydrophobicContact CD1-CG1 3.62Å
319	S	94.9	Very high	96.7	Very high	7 Å²	7	26.4 Å²	26.4	5%	0.049	13%	0.128	C	C	.	.	S	Bend	trans	-66.1	148.3	177.9	-57.5	0	0	0	0	111.1	W321 A322 Q482	S319-W321 VanDerWaalsContact CB-NE1 3.26Å; S319-W321 PolarHBondContact O-N 2.98Å; S319-A322 VanDerWaalsContact O-CB 3.3Å; S319-A322 WeakPolarHBondContact O-CB 3.25Å; S319-A322 PolarHBondContact O-N 3.3Å; S319-Q482 PolarHBondContact OG-O 2.91Å
320	S	93.8	Very high	96.6	Very high	25 Å²	25	25.6 Å²	25.6	18%	0.175	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-19.3	-178	67	0	0	0	0	115.3	Y370 Q482	S320-Y370 CarbonylContact C-O 3.42Å; S320-Y370 PolarHBondContact OG-O 3.29Å; S320-Q482 PolarHBondContact OG-NE2 2.93Å
321	W	94.2	Very high	96.6	Very high	7 Å²	7	25.6 Å²	25.6	3%	0.027	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	2.1	179.4	48.7	51.7	0	0	0	114.2	M118 Y211 S319 V372 F478 Q482 W483	M118-W321 HydrophobicContact CE-CB 3.78Å; M118-W321 HydrophobicContact CE-CD2 4.35Å; M118-W321 HydrophobicContact CE-CE3 3.75Å; M118-W321 HydrophobicContact CE-CG 4.43Å; M118-W321 HydrophobicContact CG-CD2 4.01Å; M118-W321 HydrophobicContact CG-CE3 3.57Å; M118-W321 HydrophobicContact CG-CZ3 3.82Å; M118-W321 HydrophobicContact SD-CB 3.77Å; M118-W321 HydrophobicContact SD-CD2 4.18Å; M118-W321 HydrophobicContact SD-CE3 3.99Å; M118-W321 HydrophobicContact SD-CG 4.15Å; Y211-W321 WeakPolarHBondContact CE2-O 3.4Å; S319-W321 VanDerWaalsContact CB-NE1 3.26Å; S319-W321 PolarHBondContact O-N 2.98Å; W321-V372 HydrophobicContact CB-CG1 4.03Å; W321-V372 WeakPolarHBondContact O-CG1 3.15Å; W321-V372 WeakPolarHBondContact O-CG2 3.38Å; W321-F478 HydrophobicContact CH2-CE1 4.23Å; W321-F478 HydrophobicContact CH2-CZ 4.32Å; W321-F478 HydrophobicContact CZ3-CE1 4.27Å; W321-F478 AromaticContact CZ3-CZ 3.94Å; W321-F478 HydrophobicContact CZ3-CZ 3.94Å; W321-Q482 HydrophobicContact CH2-CB 3.36Å; W321-Q482 HydrophobicContact CH2-CG 3.6Å; W321-Q482 HydrophobicContact CZ2-CB 3.62Å; W321-Q482 HydrophobicContact CZ2-CG 4.28Å; W321-Q482 HydrophobicContact CZ3-CB 4.06Å; W321-Q482 HydrophobicContact CZ3-CG 3.8Å; W321-W483 HydrophobicContact CH2-CD2 4.39Å; W321-W483 AromaticContact CH2-CE2 3.94Å; W321-W483 HydrophobicContact CH2-CE3 4.35Å; W321-W483 AromaticContact CH2-CH2 3.51Å; W321-W483 HydrophobicContact CH2-CH2 3.51Å; W321-W483 AromaticContact CH2-CZ2 3.49Å; W321-W483 HydrophobicContact CH2-CZ2 3.49Å; W321-W483 VanDerWaalsContact CH2-CZ2 3.49Å; W321-W483 AromaticContact CH2-CZ3 3.95Å; W321-W483 HydrophobicContact CH2-CZ3 3.95Å; W321-W483 HydrophobicContact CZ2-CD2 4.11Å; W321-W483 AromaticContact CZ2-CE2 3.59Å; W321-W483 HydrophobicContact CZ2-CE3 4.48Å; W321-W483 HydrophobicContact CZ2-CH2 4.06Å; W321-W483 AromaticContact CZ2-CZ2 3.58Å; W321-W483 HydrophobicContact CZ2-CZ2 3.58Å; W321-W483 HydrophobicContact CZ2-CZ3 4.47Å; W321-W483 AromaticContact CZ2-NE1 3.94Å
322	A	96.2	Very high	96.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-34.7	-177.9	0	0	0	0	0	112.8	Y211 S316 A317 S319	Y211-A322 PolarHBondContact OH-O 3.39Å; S316-A322 WeakPolarHBondContact O-CB 3.33Å; A317-A322 WeakPolarHBondContact O-CB 3.48Å; S319-A322 VanDerWaalsContact O-CB 3.3Å; S319-A322 WeakPolarHBondContact O-CB 3.25Å; S319-A322 PolarHBondContact O-N 3.3Å
323	V	97	Very high	96.3	Very high	4 Å²	4	31 Å²	31	2%	0.024	16%	0.157	C	C	.	.	S	Bend	trans	-127.9	139	-177.3	178.8	0	0	0	0	110.2	L296 Y325 P376 I378 P387	L296-V323 HydrophobicContact CD2-CG2 4.22Å; V323-Y325 HydrophobicContact CB-CE2 3.93Å; V323-Y325 HydrophobicContact CG1-CD2 4.41Å; V323-Y325 HydrophobicContact CG1-CE1 4.2Å; V323-Y325 HydrophobicContact CG1-CE2 4.09Å; V323-P376 CarbonylContact C-O 3.56Å; V323-P376 WeakPolarHBondContact CA-O 3.24Å; V323-I378 HydrophobicContact CG1-CG1 4.14Å; V323-P387 HydrophobicContact CG2-CG 3.83Å
324	N	96.5	Very high	96.2	Very high	8 Å²	8	31 Å²	31	4%	0.043	16%	0.157	C	C	.	.			trans	-91.6	107.2	170.9	-179.8	10.6	0	0	0	110.5	Q326 P327 V372 A373 P376 V377	N324-Q326 VanDerWaalsContact C-N 3.33Å; N324-Q326 VanDerWaalsContact OD1-C 3.31Å; N324-Q326 PolarHBondContact OD1-N 2.89Å; N324-P327 WeakPolarHBondContact ND2-CA 3.47Å; N324-V372 HydrophobicContact CB-CG2 4.23Å; N324-A373 PolarHBondContact ND2-O 2.72Å; N324-P376 PolarHBondContact N-O 2.91Å; N324-V377 HydrophobicContact CB-CG1 4.19Å
325	Y	96	Very high	96.2	Very high	128 Å²	128	31 Å²	31	50%	0.502	16%	0.157	S	C	.	.	S	Bend	trans	-83.9	-3.9	176.1	-63.9	-84.6	0	0	0	114	V323 P327 I378 D386	V323-Y325 HydrophobicContact CB-CE2 3.93Å; V323-Y325 HydrophobicContact CG1-CD2 4.41Å; V323-Y325 HydrophobicContact CG1-CE1 4.2Å; V323-Y325 HydrophobicContact CG1-CE2 4.09Å; Y325-P327 VanDerWaalsContact C-CD 3.41Å; Y325-I378 HydrophobicContact CD1-CD1 4.2Å; Y325-I378 HydrophobicContact CE1-CD1 3.64Å; Y325-D386 PolarHBondContact OH-OD2 3.21Å
326	Q	96.2	Very high	96.2	Very high	104 Å²	104	34.9 Å²	34.9	49%	0.486	18%	0.177	S	C	.	.			trans	-129.1	49.3	-178.3	-61.1	-171.1	-27.5	0	0	113.5	N324 V328 K329 Y330	N324-Q326 VanDerWaalsContact C-N 3.33Å; N324-Q326 VanDerWaalsContact OD1-C 3.31Å; N324-Q326 PolarHBondContact OD1-N 2.89Å; Q326-V328 PolarHBondContact O-N 3.24Å; Q326-K329 HydrophobicContact CB-CB 4.33Å; Q326-K329 HydrophobicContact CB-CD 4.49Å; Q326-K329 WeakPolarHBondContact O-CB 3.42Å; Q326-K329 PolarHBondContact O-N 2.93Å; Q326-Y330 HydrophobicContact CB-CE2 4.21Å; Q326-Y330 VanDerWaalsContact O-CD2 3.26Å; Q326-Y330 WeakPolarHBondContact O-CD2 3.49Å
327	P	96.7	Very high	96.2	Very high	16 Å²	16	39.5 Å²	39.5	10%	0.104	20%	0.197	C	C	.	.	H	α-helix	trans	-62.1	-41.1	-174.9	24.5	-33.2	0	0	0	113.3	S246 N324 Y325 K329 Y330 T331 V377	S246-P327 CarbonylContact O-C 3.55Å; N324-P327 WeakPolarHBondContact ND2-CA 3.47Å; Y325-P327 VanDerWaalsContact C-CD 3.41Å; P327-K329 PolarHBondContact O-N 3.05Å; P327-Y330 PolarHBondContact O-N 2.86Å; P327-T331 WeakPolarHBondContact O-CB 3.48Å; P327-T331 PolarHBondContact O-N 2.88Å; P327-T331 PolarHBondContact O-OG1 3.12Å; P327-T331 VanDerWaalsContact O-OG1 3.14Å; P327-V377 HydrophobicContact CB-CG1 3.78Å; P327-V377 HydrophobicContact CG-CG1 3.91Å
328	V	96.5	Very high	96.2	Very high	74 Å²	74	39.8 Å²	39.8	45%	0.448	20%	0.199	S	C	.	.	H	α-helix	trans	-55.8	-40	-178.8	-168.8	0	0	0	0	111.9	T247 Q326 S332	T247-V328 WeakPolarHBondContact O-CG2 3.44Å; Q326-V328 PolarHBondContact O-N 3.24Å; V328-S332 VanDerWaalsContact O-CB 3.32Å; V328-S332 WeakPolarHBondContact O-CB 3.27Å; V328-S332 PolarHBondContact O-N 3.28Å; V328-S332 PolarHBondContact O-OG 3.41Å
329	K	96.3	Very high	96.2	Very high	114 Å²	114	40.9 Å²	40.9	50%	0.496	22%	0.22	S	C	.	.	H	α-helix	trans	-63.2	-49.7	-179.6	177.2	-171.7	174	-168.9	0	111.3	Q326 P327 L333	Q326-K329 HydrophobicContact CB-CB 4.33Å; Q326-K329 HydrophobicContact CB-CD 4.49Å; Q326-K329 WeakPolarHBondContact O-CB 3.42Å; Q326-K329 PolarHBondContact O-N 2.93Å; P327-K329 PolarHBondContact O-N 3.05Å; K329-L333 PolarHBondContact O-N 3.44Å; K329-L333 VanDerWaalsContact O-N 3.09Å
330	Y	96.1	Very high	96.3	Very high	5 Å²	5	40.6 Å²	40.6	2%	0.02	22%	0.218	C	C	.	.	H	α-helix	trans	-74.6	-36.4	-176.3	-61.8	-61.9	0	0	0	112.2	Q326 P327 L333 L334 I365 P367 A368 A373	Q326-Y330 HydrophobicContact CB-CE2 4.21Å; Q326-Y330 VanDerWaalsContact O-CD2 3.26Å; Q326-Y330 WeakPolarHBondContact O-CD2 3.49Å; P327-Y330 PolarHBondContact O-N 2.86Å; Y330-L333 PolarHBondContact O-N 2.86Å; Y330-L334 WeakPolarHBondContact O-CB 3.18Å; Y330-L334 PolarHBondContact O-N 2.74Å; Y330-I365 HydrophobicContact CD1-CG2 3.85Å; Y330-I365 HydrophobicContact CG-CG2 4.41Å; Y330-P367 HydrophobicContact CE1-CB 4.31Å; Y330-P367 WeakPolarHBondContact OH-CA 3.24Å; Y330-A368 PolarHBondContact OH-N 3.18Å; Y330-A368 VanDerWaalsContact OH-N 3.15Å; Y330-A373 HydrophobicContact CD1-CB 3.89Å; Y330-A373 HydrophobicContact CD2-CB 4.14Å; Y330-A373 WeakPolarHBondContact CD2-O 3.35Å; Y330-A373 HydrophobicContact CE1-CB 4.22Å; Y330-A373 HydrophobicContact CE2-CB 4.42Å; Y330-A373 HydrophobicContact CG-CB 3.86Å
331	T	96.9	Very high	96.1	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	24%	0.237	C	C	.	.	H	α-helix	trans	-62.9	-43.3	173.2	-61.7	0	0	0	0	111.5	L245 S246 T247 P327 L334 A335 M348	L245-T331 HydrophobicContact CD1-CG2 4.07Å; L245-T331 HydrophobicContact CD2-CG2 4.03Å; L245-T331 HydrophobicContact CG-CG2 3.93Å; S246-T331 WeakPolarHBondContact O-CB 3.47Å; S246-T331 PolarHBondContact O-OG1 2.83Å; T247-T331 HydrophobicContact CG2-CG2 4Å; P327-T331 WeakPolarHBondContact O-CB 3.48Å; P327-T331 PolarHBondContact O-N 2.88Å; P327-T331 PolarHBondContact O-OG1 3.12Å; P327-T331 VanDerWaalsContact O-OG1 3.14Å; T331-L334 PolarHBondContact O-N 3.45Å; T331-A335 WeakPolarHBondContact O-CB 3.21Å; T331-A335 PolarHBondContact O-N 3.41Å; T331-M348 HydrophobicContact CG2-SD 4.29Å
332	S	96	Very high	95.9	Very high	45 Å²	45	46.9 Å²	46.9	32%	0.315	25%	0.252	S	S	.	.	H	α-helix	trans	-63.6	-43.5	176	-57.2	0	0	0	0	111.7	V328 L334 A335 D336	V328-S332 VanDerWaalsContact O-CB 3.32Å; V328-S332 WeakPolarHBondContact O-CB 3.27Å; V328-S332 PolarHBondContact O-N 3.28Å; V328-S332 PolarHBondContact O-OG 3.41Å; S332-L334 VanDerWaalsContact C-N 3.31Å; S332-L334 PolarHBondContact O-N 2.93Å; S332-A335 PolarHBondContact O-N 3.49Å; S332-D336 PolarHBondContact O-N 2.84Å
333	L	95.6	Very high	95.6	Very high	69 Å²	69	55.5 Å²	55.5	36%	0.361	30%	0.297	S	S	.	.	H	α-helix	trans	-62.6	-38.6	177.1	-176	64.4	0	0	0	112.2	K329 Y330 K337 I365	K329-L333 PolarHBondContact O-N 3.44Å; K329-L333 VanDerWaalsContact O-N 3.09Å; Y330-L333 PolarHBondContact O-N 2.86Å; L333-K337 WeakPolarHBondContact O-CG 3.33Å; L333-K337 PolarHBondContact O-N 3.02Å; L333-I365 HydrophobicContact CB-CD1 4.28Å; L333-I365 HydrophobicContact CD2-CD1 3.91Å; L333-I365 HydrophobicContact CD2-CG2 4.3Å; L333-I365 HydrophobicContact CG-CD1 3.75Å
334	L	96.7	Very high	95.6	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-64.4	-48.7	173.4	176.5	69.8	0	0	0	111	V241 L245 Y330 T331 S332 D336 K337 V338 Q363 I365 F374	V241-L334 HydrophobicContact CB-CD2 4.34Å; V241-L334 HydrophobicContact CG1-CD2 3.42Å; V241-L334 VanDerWaalsContact CG1-CD2 3.42Å; V241-L334 HydrophobicContact CG2-CD2 3.9Å; L245-L334 HydrophobicContact CD1-CD2 3.81Å; Y330-L334 WeakPolarHBondContact O-CB 3.18Å; Y330-L334 PolarHBondContact O-N 2.74Å; T331-L334 PolarHBondContact O-N 3.45Å; S332-L334 VanDerWaalsContact C-N 3.31Å; S332-L334 PolarHBondContact O-N 2.93Å; L334-D336 VanDerWaalsContact C-N 3.27Å; L334-D336 PolarHBondContact O-N 3.24Å; L334-K337 PolarHBondContact O-N 2.82Å; L334-K337 VanDerWaalsContact O-N 3.1Å; L334-V338 HydrophobicContact CD1-CG1 4.38Å; L334-V338 WeakPolarHBondContact O-CG2 3.29Å; L334-V338 PolarHBondContact O-N 2.74Å; L334-V338 VanDerWaalsContact O-N 3.1Å; L334-Q363 HydrophobicContact CD1-CB 3.72Å; L334-Q363 HydrophobicContact CD1-CG 3.65Å; L334-I365 HydrophobicContact CB-CD1 4.27Å; L334-I365 HydrophobicContact CB-CG1 4.43Å; L334-I365 HydrophobicContact CD1-CG1 4.31Å; L334-F374 HydrophobicContact CB-CZ 4.11Å; L334-F374 HydrophobicContact CD2-CE1 4.38Å; L334-F374 HydrophobicContact CD2-CZ 3.99Å
335	A	97.3	Very high	95.6	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-57.3	-41.1	178.8	0	0	0	0	0	111.5	T331 S332 V338 G339 C340 N341 M348	T331-A335 WeakPolarHBondContact O-CB 3.21Å; T331-A335 PolarHBondContact O-N 3.41Å; S332-A335 PolarHBondContact O-N 3.49Å; A335-V338 PolarHBondContact O-N 3.01Å; A335-G339 PolarHBondContact O-N 2.9Å; A335-C340 HydrophobicContact CB-CB 4.26Å; A335-C340 PolarHBondContact O-N 2.86Å; A335-N341 PolarHBondContact O-N 3.07Å; A335-M348 HydrophobicContact CB-CE 4.25Å; A335-M348 HydrophobicContact CB-CG 3.83Å; A335-M348 HydrophobicContact CB-SD 3.64Å
336	D	96.4	Very high	95.6	Very high	82 Å²	82	57.8 Å²	57.8	44%	0.439	32%	0.322	S	S	.	.	H	α-helix	trans	-57.2	-49.9	172.8	-75.5	-21.1	0	0	0	112.3	S332 L334 V338 G339 N341	S332-D336 PolarHBondContact O-N 2.84Å; L334-D336 VanDerWaalsContact C-N 3.27Å; L334-D336 PolarHBondContact O-N 3.24Å; D336-V338 VanDerWaalsContact C-N 3.32Å; D336-V338 PolarHBondContact O-N 2.86Å; D336-G339 PolarHBondContact O-N 2.76Å; D336-N341 WeakPolarHBondContact OD1-CB 3.42Å; D336-N341 PolarHBondContact OD1-ND2 2.8Å
337	K	96.5	Very high	95.7	Very high	97 Å²	97	57.4 Å²	57.4	42%	0.422	32%	0.324	S	S	.	.	H	α-helix	trans	-65.2	-33.7	-176.2	-75.2	-167.3	176.6	-165	0	113.5	L333 L334 Q363 D364 I365	L333-K337 WeakPolarHBondContact O-CG 3.33Å; L333-K337 PolarHBondContact O-N 3.02Å; L334-K337 PolarHBondContact O-N 2.82Å; L334-K337 VanDerWaalsContact O-N 3.1Å; K337-Q363 HydrophobicContact CD-CB 4.47Å; K337-D364 PolarHBondContact NZ-O 2.83Å; K337-I365 HydrophobicContact CD-CD1 3.91Å
338	V	97.2	Very high	95.7	Very high	8 Å²	8	57.2 Å²	57.2	5%	0.048	32%	0.321	C	S	.	.	H	α-helix	trans	-95.9	4.1	179.6	-53.6	0	0	0	0	113.2	L334 A335 D336 C340 L352 K355 E359 L360 Q363	L334-V338 HydrophobicContact CD1-CG1 4.38Å; L334-V338 WeakPolarHBondContact O-CG2 3.29Å; L334-V338 PolarHBondContact O-N 2.74Å; L334-V338 VanDerWaalsContact O-N 3.1Å; A335-V338 PolarHBondContact O-N 3.01Å; D336-V338 VanDerWaalsContact C-N 3.32Å; D336-V338 PolarHBondContact O-N 2.86Å; V338-C340 HydrophobicContact CG2-CB 4.19Å; V338-L352 HydrophobicContact CG2-CD2 3.57Å; V338-K355 HydrophobicContact CB-CG 4.5Å; V338-K355 HydrophobicContact CG2-CG 4.3Å; V338-K355 WeakPolarHBondContact O-CE 3.41Å; V338-K355 PolarHBondContact O-NZ 2.98Å; V338-E359 HydrophobicContact CG1-CG 4.37Å; V338-L360 HydrophobicContact CG1-CD2 4.3Å; V338-L360 HydrophobicContact CG2-CD2 4.32Å; V338-Q363 HydrophobicContact CG1-CG 3.72Å
339	G	96.8	Very high	95.8	Very high	64 Å²	64	53.8 Å²	53.8	66%	0.66	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	30.3	177.4	0	0	0	0	0	114.5	A335 D336	A335-G339 PolarHBondContact O-N 2.9Å; D336-G339 PolarHBondContact O-N 2.76Å
340	C	97	Very high	95.8	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.014	29%	0.292	C	S	.	.			trans	-107.2	23.5	173.2	-69.1	0	0	0	0	112.6	A335 V338 V342 C351 L352	A335-C340 HydrophobicContact CB-CB 4.26Å; A335-C340 PolarHBondContact O-N 2.86Å; V338-C340 HydrophobicContact CG2-CB 4.19Å; C340-V342 PolarHBondContact O-N 3.25Å; C340-C351 WeakPolarHBondContact CA-SG 3.3Å; C340-C351 HydrophobicContact CB-CB 3.64Å; C340-C351 WeakPolarHBondContact CB-SG 3.22Å; C340-C351 WeakPolarHBondContact SG-CB 3.5Å; C340-C351 CovalentContact SG-SG 2.04Å; C340-C351 PolarHBondContact SG-SG 3.03Å; C340-L352 HydrophobicContact CB-CD2 4.13Å; C340-L352 HydrophobicContact CB-CG 4.18Å
341	N	89.7	Confident	95.9	Very high	107 Å²	107	52.5 Å²	52.5	57%	0.572	30%	0.302	S	S	*	.			trans	-72.8	89.1	177.4	-174.6	-0	0	0	0	111.2	A335 D336	A335-N341 PolarHBondContact O-N 3.07Å; D336-N341 WeakPolarHBondContact OD1-CB 3.42Å; D336-N341 PolarHBondContact OD1-ND2 2.8Å
342	V	91.1	Very high	95.9	Very high	56 Å²	56	52.4 Å²	52.4	34%	0.339	30%	0.301	S	S	.	.			trans	-120.5	149.7	171.6	-65.3	0	0	0	0	109	C340 D344 D347 M348	C340-V342 PolarHBondContact O-N 3.25Å; V342-D344 VanDerWaalsContact C-N 3.35Å; V342-D344 WeakPolarHBondContact CG2-O 3.36Å; V342-D347 HydrophobicContact CG2-CB 3.8Å; V342-M348 HydrophobicContact CG2-CB 3.63Å; V342-M348 WeakPolarHBondContact O-CE 3.37Å
343	L	90.1	Very high	96	Very high	181 Å²	181	52 Å²	52	95%	0.948	29%	0.293	S	S	*	.	S	Bend	trans	-71.2	-31	-175.4	-68.9	173.5	0	0	0	113
344	D	95.7	Very high	96	Very high	79 Å²	79	56.7 Å²	56.7	42%	0.422	31%	0.313	S	S	.	.	S	Bend	trans	-84.1	126.7	177.4	-175.1	81.5	0	0	0	110.2	V342 V346 D347 M348	V342-D344 VanDerWaalsContact C-N 3.35Å; V342-D344 WeakPolarHBondContact CG2-O 3.36Å; D344-V346 VanDerWaalsContact C-N 3.31Å; D344-V346 PolarHBondContact O-N 2.71Å; D344-V346 WeakPolarHBondContact OD2-CA 3.21Å; D344-V346 VanDerWaalsContact OD2-CB 3.26Å; D344-V346 WeakPolarHBondContact OD2-CB 3.5Å; D344-V346 PolarHBondContact OD2-N 3.17Å; D344-D347 HydrophobicContact CB-CB 4.2Å; D344-D347 PolarHBondContact O-N 3.08Å; D344-D347 PolarHBondContact OD2-N 3.22Å; D344-M348 WeakPolarHBondContact O-CB 3.5Å; D344-M348 PolarHBondContact O-N 2.91Å
345	T	96.6	Very high	96	Very high	36 Å²	36	59 Å²	59	22%	0.221	32%	0.323	C	S	.	.	H	α-helix	trans	-71.3	-27.2	-174.6	49.1	0	0	0	0	112.5	T247 D249 M348 V349	T247-T345 HydrophobicContact CG2-CG2 4.36Å; D249-T345 WeakPolarHBondContact OD2-CB 3.5Å; D249-T345 WeakPolarHBondContact OD2-CG2 3.43Å; D249-T345 PolarHBondContact OD2-OG1 3.33Å; T345-M348 PolarHBondContact O-N 2.92Å; T345-V349 VanDerWaalsContact O-CG2 3.25Å; T345-V349 WeakPolarHBondContact O-CG2 3.21Å; T345-V349 PolarHBondContact O-N 2.97Å
346	V	97	Very high	96	Very high	74 Å²	74	61.9 Å²	61.9	45%	0.448	34%	0.343	S	S	.	.	H	α-helix	trans	-69.8	-49.5	176	-176.1	0	0	0	0	109.6	A251 D344 M348 V349 D350	A251-V346 HydrophobicContact CB-CG2 3.97Å; D344-V346 VanDerWaalsContact C-N 3.31Å; D344-V346 PolarHBondContact O-N 2.71Å; D344-V346 WeakPolarHBondContact OD2-CA 3.21Å; D344-V346 VanDerWaalsContact OD2-CB 3.26Å; D344-V346 WeakPolarHBondContact OD2-CB 3.5Å; D344-V346 PolarHBondContact OD2-N 3.17Å; V346-M348 PolarHBondContact O-N 2.83Å; V346-V349 PolarHBondContact O-N 3.49Å; V346-D350 PolarHBondContact O-N 2.82Å
347	D	97	Very high	95.9	Very high	96 Å²	96	58.5 Å²	58.5	51%	0.513	33%	0.326	S	S	.	.	H	α-helix	trans	-59.8	-35.7	175.4	-71.1	-23.4	0	0	0	111.8	V342 D344 C351	V342-D347 HydrophobicContact CG2-CB 3.8Å; D344-D347 HydrophobicContact CB-CB 4.2Å; D344-D347 PolarHBondContact O-N 3.08Å; D344-D347 PolarHBondContact OD2-N 3.22Å; D347-C351 WeakPolarHBondContact O-CB 3.34Å; D347-C351 PolarHBondContact O-N 2.79Å
348	M	97.6	Very high	95.8	Very high	12 Å²	12	60.4 Å²	60.4	6%	0.059	34%	0.335	C	S	.	.	H	α-helix	trans	-63	-49.6	176.2	-178.2	-175.4	-60.7	0	0	111	T331 A335 V342 D344 T345 V346 D350 C351 L352	T331-M348 HydrophobicContact CG2-SD 4.29Å; A335-M348 HydrophobicContact CB-CE 4.25Å; A335-M348 HydrophobicContact CB-CG 3.83Å; A335-M348 HydrophobicContact CB-SD 3.64Å; V342-M348 HydrophobicContact CG2-CB 3.63Å; V342-M348 WeakPolarHBondContact O-CE 3.37Å; D344-M348 WeakPolarHBondContact O-CB 3.5Å; D344-M348 PolarHBondContact O-N 2.91Å; T345-M348 PolarHBondContact O-N 2.92Å; V346-M348 PolarHBondContact O-N 2.83Å; M348-D350 VanDerWaalsContact C-N 3.34Å; M348-D350 PolarHBondContact O-N 2.88Å; M348-C351 WeakPolarHBondContact O-CB 3.49Å; M348-C351 PolarHBondContact O-N 2.87Å; M348-L352 HydrophobicContact CG-CD1 4.1Å; M348-L352 VanDerWaalsContact O-CG 3.27Å; M348-L352 WeakPolarHBondContact O-CG 3.41Å; M348-L352 PolarHBondContact O-N 2.94Å
349	V	97.5	Very high	95.7	Very high	1 Å²	1	63.2 Å²	63.2	1%	0.006	35%	0.347	C	S	.	.	H	α-helix	trans	-64.7	-40.1	179.6	175	0	0	0	0	110.6	F84 T247 A251 A252 T345 V346 C351 L352 R353	F84-V349 HydrophobicContact CD2-CG1 4.1Å; T247-V349 HydrophobicContact CG2-CG2 3.76Å; A251-V349 HydrophobicContact CB-CG2 4.08Å; A252-V349 HydrophobicContact CB-CG1 4.39Å; A252-V349 HydrophobicContact CB-CG2 3.71Å; T345-V349 VanDerWaalsContact O-CG2 3.25Å; T345-V349 WeakPolarHBondContact O-CG2 3.21Å; T345-V349 PolarHBondContact O-N 2.97Å; V346-V349 PolarHBondContact O-N 3.49Å; V349-C351 PolarHBondContact O-N 3.41Å; V349-L352 PolarHBondContact O-N 3.31Å; V349-L352 VanDerWaalsContact O-N 3.17Å; V349-R353 WeakPolarHBondContact O-CG 3.29Å; V349-R353 PolarHBondContact O-N 2.91Å
350	D	96.9	Very high	95.7	Very high	58 Å²	58	60.2 Å²	60.2	31%	0.31	32%	0.316	S	S	.	.	H	α-helix	trans	-63.1	-40.4	175.6	-74.7	-15.3	0	0	0	112.1	V346 M348 R353 Q354	V346-D350 PolarHBondContact O-N 2.82Å; M348-D350 VanDerWaalsContact C-N 3.34Å; M348-D350 PolarHBondContact O-N 2.88Å; D350-R353 PolarHBondContact O-N 2.86Å; D350-R353 IonicContact OD1-CZ 3.94Å; D350-R353 IonicContact OD1-NH1 2.72Å; D350-R353 PolarHBondContact OD1-NH1 2.76Å; D350-Q354 WeakPolarHBondContact O-CG 3.44Å; D350-Q354 PolarHBondContact O-N 2.83Å
351	C	97.6	Very high	95.5	Very high	34 Å²	34	61.2 Å²	61.2	23%	0.23	32%	0.322	C	S	.	.	H	α-helix	trans	-61.7	-44	171.5	-179.2	0	0	0	0	111.9	C340 D347 M348 V349 R353 Q354	C340-C351 WeakPolarHBondContact CA-SG 3.3Å; C340-C351 HydrophobicContact CB-CB 3.64Å; C340-C351 WeakPolarHBondContact CB-SG 3.22Å; C340-C351 WeakPolarHBondContact SG-CB 3.5Å; C340-C351 CovalentContact SG-SG 2.04Å; C340-C351 PolarHBondContact SG-SG 3.03Å; D347-C351 WeakPolarHBondContact O-CB 3.34Å; D347-C351 PolarHBondContact O-N 2.79Å; M348-C351 WeakPolarHBondContact O-CB 3.49Å; M348-C351 PolarHBondContact O-N 2.87Å; V349-C351 PolarHBondContact O-N 3.41Å; C351-R353 VanDerWaalsContact C-N 3.33Å; C351-R353 PolarHBondContact O-N 3.24Å; C351-Q354 WeakPolarHBondContact O-CB 3.2Å; C351-Q354 PolarHBondContact O-N 2.96Å; C351-Q354 VanDerWaalsContact O-N 3.13Å
352	L	97.7	Very high	95.6	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-64.8	-33.8	178.4	-70.2	168.4	0	0	0	112.6	R83 F84 L245 V338 C340 M348 V349 Q354 K355 L360	R83-L352 PolarHBondContact NH1-O 2.97Å; F84-L352 HydrophobicContact CE2-CB 3.94Å; F84-L352 HydrophobicContact CZ-CB 4.49Å; L245-L352 HydrophobicContact CD1-CD1 3.84Å; V338-L352 HydrophobicContact CG2-CD2 3.57Å; C340-L352 HydrophobicContact CB-CD2 4.13Å; C340-L352 HydrophobicContact CB-CG 4.18Å; M348-L352 HydrophobicContact CG-CD1 4.1Å; M348-L352 VanDerWaalsContact O-CG 3.27Å; M348-L352 WeakPolarHBondContact O-CG 3.41Å; M348-L352 PolarHBondContact O-N 2.94Å; V349-L352 PolarHBondContact O-N 3.31Å; V349-L352 VanDerWaalsContact O-N 3.17Å; L352-Q354 VanDerWaalsContact C-N 3.27Å; L352-Q354 PolarHBondContact O-N 2.99Å; L352-K355 PolarHBondContact O-N 2.94Å; L352-L360 HydrophobicContact CD2-CD2 3.84Å
353	R	97.1	Very high	95.7	Very high	37 Å²	37	60.8 Å²	60.8	14%	0.14	31%	0.313	C	S	.	.	H	α-helix	trans	-62.4	-33.3	172.8	-73	-177.2	-177.2	116.1	3.5	112.4	R83 F84 V349 D350 C351 K355	R83-R353 HydrophobicContact CB-CG 4.37Å; R83-R353 PolarHBondContact NH1-O 2.82Å; R83-R353 PolarHBondContact O-NE 2.78Å; F84-R353 HydrophobicContact CD2-CG 3.83Å; F84-R353 HydrophobicContact CE2-CG 4.14Å; V349-R353 WeakPolarHBondContact O-CG 3.29Å; V349-R353 PolarHBondContact O-N 2.91Å; D350-R353 PolarHBondContact O-N 2.86Å; D350-R353 IonicContact OD1-CZ 3.94Å; D350-R353 IonicContact OD1-NH1 2.72Å; D350-R353 PolarHBondContact OD1-NH1 2.76Å; C351-R353 VanDerWaalsContact C-N 3.33Å; C351-R353 PolarHBondContact O-N 3.24Å; R353-K355 VanDerWaalsContact C-N 3.29Å; R353-K355 PolarHBondContact O-N 2.8Å
354	Q	96.6	Very high	95.7	Very high	167 Å²	167	55.9 Å²	55.9	78%	0.78	29%	0.288	S	S	*	.	H	α-helix	trans	-74.9	-16.3	179.1	-65.5	176.6	18.7	0	0	113.7	D350 C351 L352	D350-Q354 WeakPolarHBondContact O-CG 3.44Å; D350-Q354 PolarHBondContact O-N 2.83Å; C351-Q354 WeakPolarHBondContact O-CB 3.2Å; C351-Q354 PolarHBondContact O-N 2.96Å; C351-Q354 VanDerWaalsContact O-N 3.13Å; L352-Q354 VanDerWaalsContact C-N 3.27Å; L352-Q354 PolarHBondContact O-N 2.99Å
355	K	97.3	Very high	95.5	Very high	48 Å²	48	52.9 Å²	52.9	21%	0.209	27%	0.272	C	S	.	.	S	Bend	trans	-71.9	155.3	176.8	-60.6	-52.1	-163.9	145.9	0	112	R83 V338 L352 R353 E359 L360	R83-K355 PolarHBondContact NH1-O 2.96Å; R83-K355 PolarHBondContact NH2-O 3.09Å; V338-K355 HydrophobicContact CB-CG 4.5Å; V338-K355 HydrophobicContact CG2-CG 4.3Å; V338-K355 WeakPolarHBondContact O-CE 3.41Å; V338-K355 PolarHBondContact O-NZ 2.98Å; L352-K355 PolarHBondContact O-N 2.94Å; R353-K355 VanDerWaalsContact C-N 3.29Å; R353-K355 PolarHBondContact O-N 2.8Å; K355-E359 IonicContact NZ-OE1 2.63Å; K355-E359 PolarHBondContact NZ-OE1 2.94Å; K355-L360 HydrophobicContact CB-CD1 4.35Å; K355-L360 HydrophobicContact CB-CD2 3.8Å; K355-L360 HydrophobicContact CB-CG 3.92Å; K355-L360 HydrophobicContact CG-CD2 4.16Å
356	S	96.6	Very high	95	Very high	61 Å²	61	55.7 Å²	55.7	43%	0.427	28%	0.282	S	S	.	.			trans	-72.7	145	170.9	71.7	0	0	0	0	110.4	K358 E359 L360	S356-K358 PolarHBondContact O-N 3.07Å; S356-E359 PolarHBondContact O-N 2.8Å; S356-E359 VanDerWaalsContact O-N 3.09Å; S356-E359 WeakPolarHBondContact OG-CB 3.25Å; S356-E359 PolarHBondContact OG-N 2.93Å; S356-E359 VanDerWaalsContact OG-N 3.09Å; S356-L360 PolarHBondContact O-N 3.39Å; S356-L360 VanDerWaalsContact O-N 3.15Å
357	A	95.3	Very high	94.7	Very high	10 Å²	10	53.7 Å²	53.7	8%	0.083	27%	0.271	C	S	.	.	H	α-helix	trans	-55.1	-37.8	174.7	0	0	0	0	0	112.4	P107 E139 L242 L360 V361	P107-A357 HydrophobicContact CB-CB 4.13Å; P107-A357 HydrophobicContact CG-CB 3.98Å; E139-A357 HydrophobicContact CG-CB 3.63Å; E139-A357 WeakPolarHBondContact OE1-CB 3.37Å; L242-A357 HydrophobicContact CD1-CB 3.96Å; A357-L360 PolarHBondContact O-N 3.03Å; A357-V361 WeakPolarHBondContact O-CB 3.5Å; A357-V361 VanDerWaalsContact O-CG2 3.29Å; A357-V361 WeakPolarHBondContact O-CG2 3.29Å; A357-V361 PolarHBondContact O-N 2.68Å
358	K	93.7	Very high	94.4	Very high	138 Å²	138	51.1 Å²	51.1	60%	0.6	26%	0.263	S	S	*	.	H	α-helix	trans	-58.5	-49.3	175.7	-174.8	177.1	179.8	-179.6	0	111.7	S356 L360 V361 E362	S356-K358 PolarHBondContact O-N 3.07Å; K358-L360 VanDerWaalsContact C-N 3.26Å; K358-L360 PolarHBondContact O-N 2.82Å; K358-V361 PolarHBondContact O-N 3.29Å; K358-E362 WeakPolarHBondContact CE-OE1 3.41Å; K358-E362 WeakPolarHBondContact CE-OE2 3.43Å; K358-E362 HydrophobicContact CG-CG 4.17Å; K358-E362 IonicContact NZ-OE1 3.29Å; K358-E362 WeakPolarHBondContact O-CB 3.49Å; K358-E362 VanDerWaalsContact O-CG 3.29Å; K358-E362 WeakPolarHBondContact O-CG 3.06Å; K358-E362 PolarHBondContact O-N 3Å
359	E	95.6	Very high	94	Very high	66 Å²	66	55.7 Å²	55.7	31%	0.308	28%	0.279	S	S	.	.	H	α-helix	trans	-60.6	-34.7	178.3	-175.9	-178.3	169.3	0	0	112.3	V338 K355 S356 Q363	V338-E359 HydrophobicContact CG1-CG 4.37Å; K355-E359 IonicContact NZ-OE1 2.63Å; K355-E359 PolarHBondContact NZ-OE1 2.94Å; S356-E359 PolarHBondContact O-N 2.8Å; S356-E359 VanDerWaalsContact O-N 3.09Å; S356-E359 WeakPolarHBondContact OG-CB 3.25Å; S356-E359 PolarHBondContact OG-N 2.93Å; S356-E359 VanDerWaalsContact OG-N 3.09Å; E359-Q363 VanDerWaalsContact O-CG 3.29Å; E359-Q363 WeakPolarHBondContact O-CG 3.39Å; E359-Q363 PolarHBondContact O-NE2 3.29Å
360	L	95.9	Very high	93.7	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-73.9	-43.9	177.6	-64.4	176.6	0	0	0	112.8	F84 V241 L242 V338 L352 K355 S356 A357 K358	F84-L360 HydrophobicContact CZ-CD1 4.06Å; V241-L360 HydrophobicContact CG1-CB 4.34Å; L242-L360 HydrophobicContact CD2-CD1 4.09Å; V338-L360 HydrophobicContact CG1-CD2 4.3Å; V338-L360 HydrophobicContact CG2-CD2 4.32Å; L352-L360 HydrophobicContact CD2-CD2 3.84Å; K355-L360 HydrophobicContact CB-CD1 4.35Å; K355-L360 HydrophobicContact CB-CD2 3.8Å; K355-L360 HydrophobicContact CB-CG 3.92Å; K355-L360 HydrophobicContact CG-CD2 4.16Å; S356-L360 PolarHBondContact O-N 3.39Å; S356-L360 VanDerWaalsContact O-N 3.15Å; A357-L360 PolarHBondContact O-N 3.03Å; K358-L360 VanDerWaalsContact C-N 3.26Å; K358-L360 PolarHBondContact O-N 2.82Å
361	V	93.2	Very high	93.5	Very high	23 Å²	23	55.7 Å²	55.7	14%	0.139	28%	0.277	C	S	.	.	H	α-helix	trans	-77.3	-27.9	-173.9	171.6	0	0	0	0	112.5	P107 Q108 N109 A357 K358 Q363	P107-V361 HydrophobicContact CB-CG2 4.07Å; Q108-V361 VanDerWaalsContact C-CG1 3.47Å; N109-V361 HydrophobicContact CB-CG1 3.91Å; A357-V361 WeakPolarHBondContact O-CB 3.5Å; A357-V361 VanDerWaalsContact O-CG2 3.29Å; A357-V361 WeakPolarHBondContact O-CG2 3.29Å; A357-V361 PolarHBondContact O-N 2.68Å; K358-V361 PolarHBondContact O-N 3.29Å; V361-Q363 PolarHBondContact O-N 2.81Å
362	E	92.1	Very high	93.2	Very high	101 Å²	101	54.4 Å²	54.4	47%	0.472	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-4.7	178.2	-72.2	-179.3	157.7	0	0	113.7	K358 D364	K358-E362 WeakPolarHBondContact CE-OE1 3.41Å; K358-E362 WeakPolarHBondContact CE-OE2 3.43Å; K358-E362 HydrophobicContact CG-CG 4.17Å; K358-E362 IonicContact NZ-OE1 3.29Å; K358-E362 WeakPolarHBondContact O-CB 3.49Å; K358-E362 VanDerWaalsContact O-CG 3.29Å; K358-E362 WeakPolarHBondContact O-CG 3.06Å; K358-E362 PolarHBondContact O-N 3Å; E362-D364 PolarHBondContact O-N 3.45Å
363	Q	93.5	Very high	93	Very high	53 Å²	53	54.8 Å²	54.8	25%	0.248	27%	0.271	C	S	.	.	S	Bend	trans	-74.4	127.9	179.6	-57.6	-52.5	-42	0	0	112	L334 K337 V338 E359 V361 I365	L334-Q363 HydrophobicContact CD1-CB 3.72Å; L334-Q363 HydrophobicContact CD1-CG 3.65Å; K337-Q363 HydrophobicContact CD-CB 4.47Å; V338-Q363 HydrophobicContact CG1-CG 3.72Å; E359-Q363 VanDerWaalsContact O-CG 3.29Å; E359-Q363 WeakPolarHBondContact O-CG 3.39Å; E359-Q363 PolarHBondContact O-NE2 3.29Å; V361-Q363 PolarHBondContact O-N 2.81Å; Q363-I365 HydrophobicContact CB-CG1 4.25Å; Q363-I365 PolarHBondContact O-N 2.61Å
364	D	89.7	Confident	93	Very high	78 Å²	78	53.1 Å²	53.1	42%	0.417	27%	0.265	S	S	.	.			trans	-77.8	89	176.9	-177.1	27.8	0	0	0	111.6	K337 E362 Q366	K337-D364 PolarHBondContact NZ-O 2.83Å; E362-D364 PolarHBondContact O-N 3.45Å; D364-Q366 WeakPolarHBondContact OD1-CG 3.35Å; D364-Q366 PolarHBondContact OD1-NE2 3.39Å
365	I	91	Very high	93	Very high	17 Å²	17	45.1 Å²	45.1	9%	0.087	23%	0.228	C	C	.	.			trans	-105.6	96.4	178	-56.9	-63.8	0	0	0	108.8	Y330 L333 L334 K337 Q363 P367 A373 F374	Y330-I365 HydrophobicContact CD1-CG2 3.85Å; Y330-I365 HydrophobicContact CG-CG2 4.41Å; L333-I365 HydrophobicContact CB-CD1 4.28Å; L333-I365 HydrophobicContact CD2-CD1 3.91Å; L333-I365 HydrophobicContact CD2-CG2 4.3Å; L333-I365 HydrophobicContact CG-CD1 3.75Å; L334-I365 HydrophobicContact CB-CD1 4.27Å; L334-I365 HydrophobicContact CB-CG1 4.43Å; L334-I365 HydrophobicContact CD1-CG1 4.31Å; K337-I365 HydrophobicContact CD-CD1 3.91Å; Q363-I365 HydrophobicContact CB-CG1 4.25Å; Q363-I365 PolarHBondContact O-N 2.61Å; I365-P367 WeakPolarHBondContact O-CD 3.41Å; I365-A373 HydrophobicContact CG2-CB 3.98Å; I365-F374 HydrophobicContact CB-CE2 3.95Å; I365-F374 HydrophobicContact CG1-CE2 4.11Å; I365-F374 HydrophobicContact CG1-CZ 4.49Å; I365-F374 HydrophobicContact CG2-CE2 3.84Å; I365-F374 HydrophobicContact CG2-CZ 4.28Å
366	Q	86.9	Confident	93	Very high	94 Å²	94	42.9 Å²	42.9	44%	0.439	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-84.1	119.9	-177.9	-67.5	-63.2	-38.2	0	0	111.3	D364	D364-Q366 WeakPolarHBondContact OD1-CG 3.35Å; D364-Q366 PolarHBondContact OD1-NE2 3.39Å
367	P	90.2	Very high	93.1	Very high	33 Å²	33	40.1 Å²	40.1	21%	0.214	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-72.9	170.1	171.7	30.2	-32.2	0	0	0	112	Y330 I365 H371 A373	Y330-P367 HydrophobicContact CE1-CB 4.31Å; Y330-P367 WeakPolarHBondContact OH-CA 3.24Å; I365-P367 WeakPolarHBondContact O-CD 3.41Å; P367-H371 WeakPolarHBondContact CB-O 3.31Å; P367-H371 VanDerWaalsContact CG-O 3.26Å; P367-H371 WeakPolarHBondContact CG-O 3.42Å; P367-A373 HydrophobicContact CB-CB 3.95Å; P367-A373 HydrophobicContact CG-CB 4.28Å
368	A	89.4	Confident	93.2	Very high	42 Å²	42	42.7 Å²	42.7	35%	0.347	21%	0.21	S	C	.	.	S	Bend	trans	-56.3	144.9	159.6	0	0	0	0	0	109.7	Y330 Y370 H371	Y330-A368 PolarHBondContact OH-N 3.18Å; Y330-A368 VanDerWaalsContact OH-N 3.15Å; A368-Y370 PolarHBondContact O-N 2.92Å; A368-H371 HydrophobicContact CB-CB 4.37Å; A368-H371 WeakPolarHBondContact O-CB 3.33Å; A368-H371 PolarHBondContact O-N 2.61Å; A368-H371 VanDerWaalsContact O-N 3.08Å
369	R	89.4	Confident	93.4	Very high	108 Å²	108	37.7 Å²	37.7	41%	0.408	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	140.6	-179.6	-160.9	179.2	-174.2	-176.6	-0.4	109.7	H371 N435 N439	R369-H371 PolarHBondContact O-N 2.82Å; R369-H371 PolarHBondContact O-ND1 2.71Å; R369-N435 PolarHBondContact NH1-OD1 3.03Å; R369-N439 HydrophobicContact CB-CB 4.04Å; R369-N439 WeakPolarHBondContact CB-OD1 3.44Å
370	Y	91.6	Very high	93.4	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.016	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.3	10	-177.2	-40.9	-57.8	0	0	0	116	V117 S320 A368 F413 F436 N439 L440 F478	V117-Y370 HydrophobicContact CG2-CD1 4.33Å; V117-Y370 HydrophobicContact CG2-CE1 4.37Å; S320-Y370 CarbonylContact C-O 3.42Å; S320-Y370 PolarHBondContact OG-O 3.29Å; A368-Y370 PolarHBondContact O-N 2.92Å; Y370-F413 VanDerWaalsContact OH-CE2 3.29Å; Y370-F413 WeakPolarHBondContact OH-CE2 3.32Å; Y370-F436 HydrophobicContact CE2-CD2 4.29Å; Y370-N439 HydrophobicContact CD2-CB 3.72Å; Y370-N439 HydrophobicContact CE2-CB 3.73Å; Y370-L440 HydrophobicContact CD2-CD1 4.36Å; Y370-L440 HydrophobicContact CD2-CD2 4.21Å; Y370-L440 HydrophobicContact CD2-CG 3.89Å; Y370-L440 HydrophobicContact CG-CD2 4.39Å; Y370-F478 AromaticContact CD1-CE2 3.6Å; Y370-F478 HydrophobicContact CD1-CE2 3.6Å; Y370-F478 AromaticContact CD1-CZ 3.56Å; Y370-F478 HydrophobicContact CD1-CZ 3.56Å; Y370-F478 HydrophobicContact CE1-CD2 4.44Å; Y370-F478 AromaticContact CE1-CE2 3.28Å; Y370-F478 HydrophobicContact CE1-CE2 3.28Å; Y370-F478 AromaticContact CE1-CZ 3.45Å; Y370-F478 HydrophobicContact CE1-CZ 3.45Å; Y370-F478 VanDerWaalsContact CE1-CZ 3.45Å; Y370-F478 HydrophobicContact CG-CE2 4.33Å; Y370-F478 AromaticContact CZ-CE2 3.79Å
371	H	92.1	Very high	93.4	Very high	54 Å²	54	39.9 Å²	39.9	25%	0.25	22%	0.216	C	C	.	.	S	Bend	trans	-121.2	167.5	173.8	-59.7	79.5	0	0	0	110.1	P367 A368 R369	P367-H371 WeakPolarHBondContact CB-O 3.31Å; P367-H371 VanDerWaalsContact CG-O 3.26Å; P367-H371 WeakPolarHBondContact CG-O 3.42Å; A368-H371 HydrophobicContact CB-CB 4.37Å; A368-H371 WeakPolarHBondContact O-CB 3.33Å; A368-H371 PolarHBondContact O-N 2.61Å; A368-H371 VanDerWaalsContact O-N 3.08Å; R369-H371 PolarHBondContact O-N 2.82Å; R369-H371 PolarHBondContact O-ND1 2.71Å
372	V	92.5	Very high	93.6	Very high	8 Å²	8	39 Å²	39	5%	0.048	21%	0.211	C	C	.	.			trans	-110.8	144.4	179.4	-67.2	0	0	0	0	111.3	M118 Y211 W321 N324	M118-V372 HydrophobicContact SD-CG1 4.3Å; Y211-V372 HydrophobicContact CD2-CG1 4.22Å; W321-V372 HydrophobicContact CB-CG1 4.03Å; W321-V372 WeakPolarHBondContact O-CG1 3.15Å; W321-V372 WeakPolarHBondContact O-CG2 3.38Å; N324-V372 HydrophobicContact CB-CG2 4.23Å
373	A	93.5	Very high	93.9	Very high	7 Å²	7	34.2 Å²	34.2	6%	0.058	19%	0.189	C	C	.	.	S	Bend	trans	-86.6	-41.5	178.7	0	0	0	0	0	112.4	N324 Y330 I365 P367	N324-A373 PolarHBondContact ND2-O 2.72Å; Y330-A373 HydrophobicContact CD1-CB 3.89Å; Y330-A373 HydrophobicContact CD2-CB 4.14Å; Y330-A373 WeakPolarHBondContact CD2-O 3.35Å; Y330-A373 HydrophobicContact CE1-CB 4.22Å; Y330-A373 HydrophobicContact CE2-CB 4.42Å; Y330-A373 HydrophobicContact CG-CB 3.86Å; I365-A373 HydrophobicContact CG2-CB 3.98Å; P367-A373 HydrophobicContact CB-CB 3.95Å; P367-A373 HydrophobicContact CG-CB 4.28Å
374	F	96.1	Very high	94	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.009	19%	0.193	C	C	.	.	S	Bend	trans	-129.3	103	176	-59.6	-76.1	0	0	0	108.1	M212 V241 F244 L334 I365	M212-F374 HydrophobicContact CE-CD2 4.22Å; M212-F374 HydrophobicContact SD-CB 3.88Å; M212-F374 HydrophobicContact SD-CD2 4.08Å; M212-F374 HydrophobicContact SD-CG 4.48Å; V241-F374 HydrophobicContact CG2-CD1 4.43Å; V241-F374 HydrophobicContact CG2-CD2 3.84Å; V241-F374 HydrophobicContact CG2-CE1 4.28Å; V241-F374 HydrophobicContact CG2-CE2 3.66Å; V241-F374 HydrophobicContact CG2-CG 4.23Å; V241-F374 HydrophobicContact CG2-CZ 3.9Å; F244-F374 HydrophobicContact CB-CB 4.17Å; L334-F374 HydrophobicContact CB-CZ 4.11Å; L334-F374 HydrophobicContact CD2-CE1 4.38Å; L334-F374 HydrophobicContact CD2-CZ 3.99Å; I365-F374 HydrophobicContact CB-CE2 3.95Å; I365-F374 HydrophobicContact CG1-CE2 4.11Å; I365-F374 HydrophobicContact CG1-CZ 4.49Å; I365-F374 HydrophobicContact CG2-CE2 3.84Å; I365-F374 HydrophobicContact CG2-CZ 4.28Å
375	G	96.4	Very high	94.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	-157	-175.4	178.8	0	0	0	0	0	109.4
376	P	98.3	Very high	94.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.196	C	C	.	.			trans	-49.8	142.8	178.2	-29.4	36.5	0	0	0	113	Y211 F244 N255 L258 L296 V323 N324	Y211-P376 HydrophobicContact CD1-CG 4.27Å; Y211-P376 HydrophobicContact CE1-CG 3.56Å; Y211-P376 HydrophobicContact CE2-CG 4.49Å; Y211-P376 VanDerWaalsContact CZ-CD 3.42Å; F244-P376 HydrophobicContact CD1-CG 4.4Å; F244-P376 HydrophobicContact CE1-CG 3.96Å; N255-P376 VanDerWaalsContact OD1-CA 3.3Å; N255-P376 WeakPolarHBondContact OD1-CA 3.47Å; L258-P376 HydrophobicContact CD1-CB 4Å; L258-P376 HydrophobicContact CD1-CG 4.13Å; L258-P376 HydrophobicContact CG-CG 4.43Å; L296-P376 HydrophobicContact CD1-CB 3.65Å; L296-P376 HydrophobicContact CD1-CG 3.55Å; V323-P376 CarbonylContact C-O 3.56Å; V323-P376 WeakPolarHBondContact CA-O 3.24Å; N324-P376 PolarHBondContact N-O 2.91Å
377	V	98.3	Very high	95.1	Very high	4 Å²	4	30.3 Å²	30.3	2%	0.024	18%	0.176	C	C	.	.			trans	-126	155.4	178.5	-62.5	0	0	0	0	109.8	K253 N255 N324 P327 D379	K253-V377 WeakPolarHBondContact O-CG2 3.33Å; N255-V377 PolarHBondContact ND2-O 3.46Å; N255-V377 PolarHBondContact OD1-N 3.5Å; N255-V377 PolarHBondContact OD1-O 3.05Å; N324-V377 HydrophobicContact CB-CG1 4.19Å; P327-V377 HydrophobicContact CB-CG1 3.78Å; P327-V377 HydrophobicContact CG-CG1 3.91Å; V377-D379 HydrophobicContact CG2-CB 4.27Å; V377-D379 PolarHBondContact O-N 3Å
378	I	98.1	Very high	95.3	Very high	63 Å²	63	33.5 Å²	33.5	32%	0.323	19%	0.188	S	C	.	.			trans	-78.9	97.6	168.1	-56.5	167.3	0	0	0	106.9	V323 Y325 I383 D386	V323-I378 HydrophobicContact CG1-CG1 4.14Å; Y325-I378 HydrophobicContact CD1-CD1 4.2Å; Y325-I378 HydrophobicContact CE1-CD1 3.64Å; I378-I383 HydrophobicContact CG1-CG2 4.33Å; I378-D386 HydrophobicContact CD1-CB 4.18Å
379	D	96.8	Very high	95.6	Very high	34 Å²	34	34.5 Å²	34.5	18%	0.182	19%	0.186	C	C	.	.			trans	-96.1	-7.2	-176.7	62.7	-8.6	0	0	0	113.3	N255 V377 D381 V382 I383	N255-D379 PolarHBondContact ND2-OD1 3.3Å; N255-D379 PolarHBondContact ND2-OD2 3.06Å; V377-D379 HydrophobicContact CG2-CB 4.27Å; V377-D379 PolarHBondContact O-N 3Å; D379-D381 PolarHBondContact O-N 3.42Å; D379-D381 PolarHBondContact OD1-N 3.25Å; D379-V382 PolarHBondContact OD1-N 3.43Å; D379-V382 WeakPolarHBondContact OD2-CB 3.31Å; D379-V382 WeakPolarHBondContact OD2-CG2 3.3Å; D379-V382 PolarHBondContact OD2-N 3.49Å; D379-I383 PolarHBondContact N-O 2.92Å; D379-I383 PolarHBondContact OD1-N 3.38Å
380	G	96.4	Very high	95.9	Very high	53 Å²	53	29.5 Å²	29.5	55%	0.546	17%	0.168	S	C	.	.	S	Bend	trans	76.3	10.1	-176.4	0	0	0	0	0	113.9	I383	G380-I383 PolarHBondContact N-O 2.91Å; G380-I383 VanDerWaalsContact N-O 3.13Å
381	D	96.4	Very high	96.1	Very high	59 Å²	59	29.3 Å²	29.3	32%	0.316	17%	0.167	S	C	.	.	S	Bend	trans	-136.1	-76.2	-179	-176.1	6	0	0	0	110.4	H301 H302 D379 I383	H301-D381 PolarHBondContact CE1-O 2.71Å; H301-D381 IonicContact CE1-OD1 3.25Å; H301-D381 PolarHBondContact CE1-OD1 2.74Å; H301-D381 PolarHBondContact ND1-O 3.48Å; H301-D381 IonicContact NE2-OD1 3.77Å; H302-D381 IonicContact CD2-OD1 3.71Å; H302-D381 IonicContact CE1-OD1 2.8Å; H302-D381 IonicContact NE2-OD1 2.94Å; H302-D381 PolarHBondContact NE2-OD1 2.96Å; D379-D381 PolarHBondContact O-N 3.42Å; D379-D381 PolarHBondContact OD1-N 3.25Å; D381-I383 VanDerWaalsContact C-N 3.35Å; D381-I383 PolarHBondContact O-N 2.78Å
382	V	97	Very high	96.1	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.024	18%	0.179	C	C	.	.	S	Bend	trans	-63.4	-45.2	177.4	-177.8	0	0	0	0	110.5	N255 L258 L259 I262 S300 D379	N255-V382 HydrophobicContact CB-CB 4.14Å; N255-V382 HydrophobicContact CB-CG1 4.23Å; N255-V382 HydrophobicContact CB-CG2 4.25Å; L258-V382 HydrophobicContact CB-CG1 4.33Å; L258-V382 HydrophobicContact CD1-CG1 4.38Å; L259-V382 HydrophobicContact CD1-CG2 4.13Å; L259-V382 HydrophobicContact CD2-CG2 3.66Å; L259-V382 HydrophobicContact CG-CG2 3.89Å; I262-V382 HydrophobicContact CD1-CG1 4.31Å; S300-V382 WeakPolarHBondContact CB-O 3.31Å; S300-V382 PolarHBondContact OG-O 3.23Å; D379-V382 PolarHBondContact OD1-N 3.43Å; D379-V382 WeakPolarHBondContact OD2-CB 3.31Å; D379-V382 WeakPolarHBondContact OD2-CG2 3.3Å; D379-V382 PolarHBondContact OD2-N 3.49Å
383	I	97.4	Very high	96.1	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	20%	0.201	C	C	.	.	S	Bend	trans	-119.3	97.9	171.7	-55.6	-60.5	0	0	0	106.7	L258 L296 I378 D379 G380 D381 D385 L390	L258-I383 HydrophobicContact CD1-CD1 4.29Å; L258-I383 HydrophobicContact CD1-CG1 4.25Å; L296-I383 HydrophobicContact CB-CD1 4.03Å; L296-I383 HydrophobicContact CD2-CD1 3.87Å; L296-I383 HydrophobicContact CD2-CG1 4.41Å; I378-I383 HydrophobicContact CG1-CG2 4.33Å; D379-I383 PolarHBondContact N-O 2.92Å; D379-I383 PolarHBondContact OD1-N 3.38Å; G380-I383 PolarHBondContact N-O 2.91Å; G380-I383 VanDerWaalsContact N-O 3.13Å; D381-I383 VanDerWaalsContact C-N 3.35Å; D381-I383 PolarHBondContact O-N 2.78Å; I383-D385 WeakPolarHBondContact CG2-O 3.37Å; I383-D385 PolarHBondContact O-N 3.35Å; I383-L390 HydrophobicContact CG2-CD1 4.26Å
384	P	96.4	Very high	95.9	Very high	53 Å²	53	36.8 Å²	36.8	34%	0.344	20%	0.204	S	C	.	.			trans	-65.3	-34.9	-170.3	-25.7	34.8	0	0	0	115	L390	P384-L390 HydrophobicContact CB-CD2 4.29Å
385	D	97.2	Very high	95.4	Very high	68 Å²	68	40.8 Å²	40.8	36%	0.364	22%	0.223	S	C	.	.	S	Bend	trans	-151.1	-176.5	-176.8	-149.1	-23.7	0	0	0	110	I383 I389 L390	I383-D385 WeakPolarHBondContact CG2-O 3.37Å; I383-D385 PolarHBondContact O-N 3.35Å; D385-I389 HydrophobicContact CB-CG2 4.5Å; D385-L390 HydrophobicContact CB-CD2 3.87Å; D385-L390 HydrophobicContact CB-CG 4.2Å; D385-L390 WeakPolarHBondContact O-CD1 3.07Å
386	D	96.7	Very high	94.8	Very high	39 Å²	39	40.8 Å²	40.8	21%	0.209	22%	0.223	C	C	.	.			trans	-54.3	131.4	174.3	-165.2	-65.3	0	0	0	111.2	Y325 I378 E388 I389 L390	Y325-D386 PolarHBondContact OH-OD2 3.21Å; I378-D386 HydrophobicContact CD1-CB 4.18Å; D386-E388 PolarHBondContact O-N 2.86Å; D386-E388 VanDerWaalsContact O-N 3.11Å; D386-E388 PolarHBondContact OD1-N 2.86Å; D386-I389 HydrophobicContact CB-CB 4.32Å; D386-I389 HydrophobicContact CB-CD1 3.91Å; D386-I389 HydrophobicContact CB-CG1 4.06Å; D386-I389 WeakPolarHBondContact O-CA 3.29Å; D386-I389 WeakPolarHBondContact O-CB 3.41Å; D386-I389 PolarHBondContact O-N 3Å; D386-L390 WeakPolarHBondContact O-CG 3.44Å; D386-L390 PolarHBondContact O-N 3.25Å
387	P	96.9	Very high	93.8	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-53.2	-32.7	179.7	-28.1	35.4	0	0	0	114.7	L296 L299 A317 L318 V323 L390 M391	L296-P387 HydrophobicContact CD2-CG 3.94Å; L299-P387 HydrophobicContact CD1-CB 3.84Å; A317-P387 HydrophobicContact CB-CB 3.73Å; A317-P387 HydrophobicContact CB-CG 4.19Å; L318-P387 HydrophobicContact CD2-CB 4.12Å; V323-P387 HydrophobicContact CG2-CG 3.83Å; P387-L390 PolarHBondContact O-N 3.48Å; P387-M391 WeakPolarHBondContact O-CB 3.46Å; P387-M391 VanDerWaalsContact O-CG 3.26Å; P387-M391 WeakPolarHBondContact O-CG 3.27Å; P387-M391 PolarHBondContact O-N 3.31Å
388	E	94.2	Very high	93.2	Very high	100 Å²	100	49.2 Å²	49.2	47%	0.467	27%	0.267	S	S	.	.	H	α-helix	trans	-64.3	-46.3	175.8	-168.8	170.9	-167.1	0	0	110.8	L318 D386 L390 M391 E392	L318-E388 HydrophobicContact CD2-CB 3.8Å; L318-E388 HydrophobicContact CD2-CG 4.42Å; D386-E388 PolarHBondContact O-N 2.86Å; D386-E388 VanDerWaalsContact O-N 3.11Å; D386-E388 PolarHBondContact OD1-N 2.86Å; E388-L390 PolarHBondContact O-N 3.32Å; E388-M391 PolarHBondContact O-N 3.4Å; E388-E392 WeakPolarHBondContact O-CG 3.39Å; E388-E392 PolarHBondContact O-N 2.88Å
389	I	95.8	Very high	93	Very high	63 Å²	63	46.7 Å²	46.7	32%	0.323	25%	0.253	S	S	.	.	H	α-helix	trans	-61.5	-44.2	177.2	-64.2	175.2	0	0	0	110.7	D385 D386 M391 E392 Q393	D385-I389 HydrophobicContact CB-CG2 4.5Å; D386-I389 HydrophobicContact CB-CB 4.32Å; D386-I389 HydrophobicContact CB-CD1 3.91Å; D386-I389 HydrophobicContact CB-CG1 4.06Å; D386-I389 WeakPolarHBondContact O-CA 3.29Å; D386-I389 WeakPolarHBondContact O-CB 3.41Å; D386-I389 PolarHBondContact O-N 3Å; I389-M391 PolarHBondContact O-N 3.39Å; I389-E392 PolarHBondContact O-N 2.74Å; I389-Q393 HydrophobicContact CG2-CG 4.48Å; I389-Q393 VanDerWaalsContact O-CG 3.26Å; I389-Q393 WeakPolarHBondContact O-CG 3.28Å; I389-Q393 PolarHBondContact O-N 2.87Å
390	L	95.6	Very high	93	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.021	25%	0.254	C	S	.	.	H	α-helix	trans	-64.6	-39	178.8	-62.5	177.4	0	0	0	112.3	L299 I383 P384 D385 D386 P387 E388 Q393 G394 E395	L299-L390 HydrophobicContact CB-CB 4.4Å; L299-L390 HydrophobicContact CB-CD1 4.06Å; L299-L390 HydrophobicContact CD1-CB 4.47Å; L299-L390 HydrophobicContact CD2-CB 4.02Å; I383-L390 HydrophobicContact CG2-CD1 4.26Å; P384-L390 HydrophobicContact CB-CD2 4.29Å; D385-L390 HydrophobicContact CB-CD2 3.87Å; D385-L390 HydrophobicContact CB-CG 4.2Å; D385-L390 WeakPolarHBondContact O-CD1 3.07Å; D386-L390 WeakPolarHBondContact O-CG 3.44Å; D386-L390 PolarHBondContact O-N 3.25Å; P387-L390 PolarHBondContact O-N 3.48Å; E388-L390 PolarHBondContact O-N 3.32Å; L390-Q393 PolarHBondContact O-N 3.47Å; L390-G394 PolarHBondContact O-N 3.11Å; L390-E395 HydrophobicContact CB-CG 4.5Å; L390-E395 HydrophobicContact CD2-CG 4.35Å; L390-E395 PolarHBondContact O-N 3.41Å
391	M	95	Very high	93.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-67.3	-39.2	174.4	-72.5	-173.2	-166.5	0	0	111.7	S295 L299 A317 L318 P387 E388 I389 Q393 G394 F396 T490 L493	S295-M391 WeakPolarHBondContact OG-CE 3.42Å; L299-M391 HydrophobicContact CD1-CE 3.88Å; L299-M391 HydrophobicContact CD1-CG 4.15Å; L299-M391 HydrophobicContact CD2-CG 3.69Å; A317-M391 HydrophobicContact CB-CE 3.98Å; L318-M391 HydrophobicContact CD1-SD 3.95Å; L318-M391 HydrophobicContact CD2-CE 4.25Å; L318-M391 HydrophobicContact CD2-SD 4.16Å; L318-M391 HydrophobicContact CG-CE 4.09Å; L318-M391 HydrophobicContact CG-SD 4.11Å; P387-M391 WeakPolarHBondContact O-CB 3.46Å; P387-M391 VanDerWaalsContact O-CG 3.26Å; P387-M391 WeakPolarHBondContact O-CG 3.27Å; P387-M391 PolarHBondContact O-N 3.31Å; E388-M391 PolarHBondContact O-N 3.4Å; I389-M391 PolarHBondContact O-N 3.39Å; M391-Q393 VanDerWaalsContact C-N 3.31Å; M391-Q393 PolarHBondContact O-N 3.47Å; M391-G394 PolarHBondContact O-N 3.45Å; M391-F396 HydrophobicContact CB-CE1 4.06Å; M391-F396 HydrophobicContact CB-CE2 4.2Å; M391-F396 HydrophobicContact CB-CZ 3.7Å; M391-F396 HydrophobicContact CE-CE2 4.43Å; M391-F396 HydrophobicContact CG-CD2 4.14Å; M391-F396 HydrophobicContact CG-CE1 4.25Å; M391-F396 HydrophobicContact CG-CE2 3.6Å; M391-F396 HydrophobicContact CG-CZ 3.65Å; M391-F396 WeakPolarHBondContact O-CE1 3.36Å; M391-F396 HydrophobicContact SD-CE2 3.87Å; M391-F396 HydrophobicContact SD-CZ 4.18Å; M391-T490 HydrophobicContact CE-CG2 3.97Å; M391-T490 HydrophobicContact SD-CG2 4.06Å; M391-L493 HydrophobicContact CB-CB 4.3Å; M391-L493 HydrophobicContact CB-CD1 3.6Å; M391-L493 HydrophobicContact SD-CD1 4.28Å
392	E	93.5	Very high	93.2	Very high	104 Å²	104	41.4 Å²	41.4	49%	0.486	21%	0.213	S	C	.	.	H	α-helix	trans	-65.2	-33.1	174.4	-74.3	-169.3	150.3	0	0	112.6	E388 I389 G394 L493 Y497	E388-E392 WeakPolarHBondContact O-CG 3.39Å; E388-E392 PolarHBondContact O-N 2.88Å; I389-E392 PolarHBondContact O-N 2.74Å; E392-G394 VanDerWaalsContact C-N 3.31Å; E392-L493 HydrophobicContact CG-CD1 4.46Å; E392-L493 HydrophobicContact CG-CD2 4.06Å; E392-Y497 PolarHBondContact O-OH 3.25Å
393	Q	92.3	Very high	93.3	Very high	110 Å²	110	41.2 Å²	41.2	51%	0.514	21%	0.212	S	C	.	.	H	α-helix	trans	-75.3	-18.6	175.8	-71.1	170.2	5.6	0	0	113.4	I389 L390 M391	I389-Q393 HydrophobicContact CG2-CG 4.48Å; I389-Q393 VanDerWaalsContact O-CG 3.26Å; I389-Q393 WeakPolarHBondContact O-CG 3.28Å; I389-Q393 PolarHBondContact O-N 2.87Å; L390-Q393 PolarHBondContact O-N 3.47Å; M391-Q393 VanDerWaalsContact C-N 3.31Å; M391-Q393 PolarHBondContact O-N 3.47Å
394	G	89.5	Confident	93.3	Very high	12 Å²	12	41.2 Å²	41.2	12%	0.124	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	34	178.3	0	0	0	0	0	114.2	L390 M391 E392 F396 L397	L390-G394 PolarHBondContact O-N 3.11Å; M391-G394 PolarHBondContact O-N 3.45Å; E392-G394 VanDerWaalsContact C-N 3.31Å; G394-F396 VanDerWaalsContact C-N 3.3Å; G394-F396 PolarHBondContact O-N 2.87Å; G394-L397 WeakPolarHBondContact O-CD1 3.42Å; G394-L397 WeakPolarHBondContact O-CG 3.45Å
395	E	84.4	Confident	93.5	Very high	86 Å²	86	38.7 Å²	38.7	40%	0.402	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-30.1	178.2	-68	-62.8	129.8	0	0	112.8	L390 L397	L390-E395 HydrophobicContact CB-CG 4.5Å; L390-E395 HydrophobicContact CD2-CG 4.35Å; L390-E395 PolarHBondContact O-N 3.41Å; E395-L397 PolarHBondContact O-N 2.59Å
396	F	84.2	Confident	93.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	16.4	-178.5	65.9	-16.6	0	0	0	116.6	T298 L299 M391 G394 N398 Y399 I401 T490 L493 H494	T298-F396 WeakPolarHBondContact O-CA 3.32Å; T298-F396 WeakPolarHBondContact O-CB 3.18Å; L299-F396 HydrophobicContact CD2-CB 3.85Å; L299-F396 HydrophobicContact CD2-CD1 4.49Å; L299-F396 HydrophobicContact CD2-CD2 4.1Å; L299-F396 HydrophobicContact CD2-CG 3.91Å; M391-F396 HydrophobicContact CB-CE1 4.06Å; M391-F396 HydrophobicContact CB-CE2 4.2Å; M391-F396 HydrophobicContact CB-CZ 3.7Å; M391-F396 HydrophobicContact CE-CE2 4.43Å; M391-F396 HydrophobicContact CG-CD2 4.14Å; M391-F396 HydrophobicContact CG-CE1 4.25Å; M391-F396 HydrophobicContact CG-CE2 3.6Å; M391-F396 HydrophobicContact CG-CZ 3.65Å; M391-F396 WeakPolarHBondContact O-CE1 3.36Å; M391-F396 HydrophobicContact SD-CE2 3.87Å; M391-F396 HydrophobicContact SD-CZ 4.18Å; G394-F396 VanDerWaalsContact C-N 3.3Å; G394-F396 PolarHBondContact O-N 2.87Å; F396-N398 VanDerWaalsContact C-N 3.3Å; F396-N398 PolarHBondContact O-N 2.85Å; F396-Y399 HydrophobicContact CB-CD2 4.45Å; F396-Y399 WeakPolarHBondContact O-CD2 3.42Å; F396-I401 HydrophobicContact CD2-CD1 4.28Å; F396-T490 HydrophobicContact CE2-CG2 4.29Å; F396-L493 HydrophobicContact CZ-CB 3.9Å; F396-H494 AromaticContact CD2-CD2 3.99Å; F396-H494 HydrophobicContact CE1-CB 4.42Å; F396-H494 HydrophobicContact CE2-CB 3.82Å; F396-H494 HydrophobicContact CZ-CB 3.77Å; F396-H494 PolarHBondContact O-NE2 3.03Å
397	L	78.6	Confident	93.5	Very high	45 Å²	45	35.6 Å²	35.6	24%	0.236	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-14.8	-169.7	-64	179.5	0	0	0	115.8	G394 E395 Y399 Y497 S499	G394-L397 WeakPolarHBondContact O-CD1 3.42Å; G394-L397 WeakPolarHBondContact O-CG 3.45Å; E395-L397 PolarHBondContact O-N 2.59Å; L397-Y399 PolarHBondContact O-N 2.82Å; L397-Y497 HydrophobicContact CD1-CD1 3.65Å; L397-Y497 HydrophobicContact CD1-CD2 3.98Å; L397-Y497 HydrophobicContact CD1-CE1 4.33Å; L397-Y497 HydrophobicContact CD1-CG 3.45Å; L397-Y497 VanDerWaalsContact CD1-CG 3.45Å; L397-Y497 HydrophobicContact CD2-CD2 3.49Å; L397-Y497 VanDerWaalsContact CD2-CD2 3.49Å; L397-Y497 HydrophobicContact CD2-CE2 4.48Å; L397-Y497 HydrophobicContact CD2-CG 3.5Å; L397-Y497 HydrophobicContact CG-CD2 4.23Å; L397-Y497 HydrophobicContact CG-CG 4.05Å; L397-S499 PolarHBondContact O-OG 3.36Å
398	N	83.8	Confident	93.4	Very high	135 Å²	135	35.8 Å²	35.8	72%	0.722	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	1.1	-174.7	-68	-36.9	0	0	0	114	F396	F396-N398 VanDerWaalsContact C-N 3.3Å; F396-N398 PolarHBondContact O-N 2.85Å
399	Y	95.3	Very high	93.5	Very high	10 Å²	10	31.2 Å²	31.2	4%	0.039	16%	0.158	C	C	.	.	S	Bend	trans	-110.5	144.9	-172.7	-54.2	-73.5	0	0	0	112	T298 F307 Q308 F396 L397 H494	T298-Y399 HydrophobicContact CG2-CD2 3.98Å; T298-Y399 HydrophobicContact CG2-CE2 4.3Å; T298-Y399 HydrophobicContact CG2-CG 4.31Å; T298-Y399 WeakPolarHBondContact O-CE2 3.3Å; F307-Y399 AromaticContact CD2-CD1 3.84Å; F307-Y399 HydrophobicContact CD2-CD1 3.84Å; F307-Y399 AromaticContact CD2-CE1 3.75Å; F307-Y399 HydrophobicContact CD2-CE1 3.75Å; F307-Y399 HydrophobicContact CE1-CE1 4.48Å; F307-Y399 AromaticContact CE2-CD1 3.59Å; F307-Y399 HydrophobicContact CE2-CD1 3.59Å; F307-Y399 AromaticContact CE2-CE1 3.46Å; F307-Y399 HydrophobicContact CE2-CE1 3.46Å; F307-Y399 VanDerWaalsContact CE2-CE1 3.46Å; F307-Y399 HydrophobicContact CE2-CG 4.29Å; F307-Y399 HydrophobicContact CG-CE1 4.36Å; F307-Y399 HydrophobicContact CZ-CD1 4.4Å; F307-Y399 AromaticContact CZ-CE1 3.87Å; F307-Y399 HydrophobicContact CZ-CE1 3.87Å; F307-Y399 WeakPolarHBondContact O-CE1 3.28Å; Q308-Y399 WeakPolarHBondContact O-CA 3.44Å; F396-Y399 HydrophobicContact CB-CD2 4.45Å; F396-Y399 WeakPolarHBondContact O-CD2 3.42Å; L397-Y399 PolarHBondContact O-N 2.82Å; Y399-H494 PolarHBondContact O-CE1 3.18Å; Y399-H494 PolarHBondContact O-NE2 2.88Å
400	D	97.3	Very high	93.4	Very high	35 Å²	35	28.3 Å²	28.3	19%	0.187	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	131.2	158.6	-57.9	-46.5	0	0	0	107.6	Q308 R309 A310 P500 F564 G568	Q308-D400 PolarHBondContact O-N 3.29Å; R309-D400 CarbonylContact C-O 3.58Å; R309-D400 VanDerWaalsContact CA-O 3.27Å; R309-D400 WeakPolarHBondContact CA-O 3.22Å; R309-D400 HydrophobicContact CB-CB 4.26Å; R309-D400 HydrophobicContact CG-CB 3.89Å; R309-D400 IonicContact NE-OD2 3.64Å; R309-D400 PolarHBondContact NE-OD2 2.9Å; A310-D400 PolarHBondContact N-O 3.4Å; D400-P500 WeakPolarHBondContact OD1-CB 3.46Å; D400-P500 WeakPolarHBondContact OD1-CG 3.29Å; D400-F564 HydrophobicContact CB-CE2 3.89Å; D400-F564 HydrophobicContact CB-CZ 3.72Å; D400-F564 WeakPolarHBondContact O-CZ 3.49Å; D400-G568 WeakPolarHBondContact OD2-CA 3.44Å
401	I	98.1	Very high	93.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	128.9	-179.9	-58.2	-171.5	0	0	0	111.8	A310 I312 F396 L403 H494 P500 T501 Y502	A310-I401 HydrophobicContact CB-CG1 4.27Å; A310-I401 WeakPolarHBondContact O-CA 3.45Å; I312-I401 HydrophobicContact CD1-CG2 3.94Å; I312-I401 HydrophobicContact CG1-CG2 4.39Å; F396-I401 HydrophobicContact CD2-CD1 4.28Å; I401-L403 HydrophobicContact CG2-CB 4.35Å; I401-L403 HydrophobicContact CG2-CD2 3.94Å; I401-H494 WeakPolarHBondContact CD1-CD2 3.39Å; I401-H494 WeakPolarHBondContact CD1-NE2 3.26Å; I401-H494 VanDerWaalsContact CG1-CE1 3.47Å; I401-H494 WeakPolarHBondContact CG1-CE1 3.07Å; I401-H494 WeakPolarHBondContact CG1-NE2 3.3Å; I401-P500 PolarHBondContact N-O 2.97Å; I401-T501 CarbonylContact O-C 3.6Å; I401-T501 VanDerWaalsContact O-CA 3.29Å; I401-T501 WeakPolarHBondContact O-CA 3.42Å; I401-Y502 PolarHBondContact O-N 2.66Å
402	M	98.6	Very high	93.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	131.7	162.1	178.3	-171	-67.2	0	0	108.3	A310 I311 I312 Y502 W561 F564 P570 W593	A310-M402 PolarHBondContact O-N 2.96Å; I311-M402 CarbonylContact C-O 3.35Å; I311-M402 VanDerWaalsContact CA-O 3.22Å; I311-M402 WeakPolarHBondContact CA-O 3.44Å; I311-M402 HydrophobicContact CD1-SD 4.47Å; I311-M402 HydrophobicContact CG1-CB 4.25Å; I311-M402 HydrophobicContact CG2-CB 4.16Å; I311-M402 HydrophobicContact CG2-CG 4.15Å; I311-M402 HydrophobicContact CG2-SD 3.96Å; I312-M402 PolarHBondContact N-O 3.08Å; M402-Y502 CarbonylContact C-O 3.58Å; M402-Y502 WeakPolarHBondContact CA-O 3.33Å; M402-W561 HydrophobicContact SD-CD2 4.12Å; M402-W561 HydrophobicContact SD-CE3 4.15Å; M402-W561 HydrophobicContact SD-CH2 4.42Å; M402-W561 HydrophobicContact SD-CZ2 4.37Å; M402-W561 HydrophobicContact SD-CZ3 4.32Å; M402-F564 HydrophobicContact CB-CD1 4.22Å; M402-F564 HydrophobicContact CB-CD2 4.43Å; M402-F564 HydrophobicContact CB-CE1 3.94Å; M402-F564 HydrophobicContact CB-CE2 4.18Å; M402-F564 HydrophobicContact CB-CG 4.43Å; M402-F564 HydrophobicContact CB-CZ 3.91Å; M402-F564 HydrophobicContact CE-CB 3.55Å; M402-F564 HydrophobicContact CE-CD1 4.23Å; M402-F564 HydrophobicContact CE-CD2 3.99Å; M402-F564 HydrophobicContact CE-CG 3.66Å; M402-P570 HydrophobicContact CE-CB 3.7Å; M402-P570 HydrophobicContact CE-CG 4.23Å; M402-W593 HydrophobicContact CE-CE3 4.4Å; M402-W593 HydrophobicContact CE-CH2 3.77Å; M402-W593 HydrophobicContact CE-CZ3 3.67Å; M402-W593 HydrophobicContact CG-CH2 3.72Å; M402-W593 HydrophobicContact CG-CZ2 4.1Å; M402-W593 HydrophobicContact SD-CH2 3.52Å; M402-W593 VanDerWaalsContact SD-CH2 3.52Å; M402-W593 HydrophobicContact SD-CZ2 4.45Å; M402-W593 HydrophobicContact SD-CZ3 3.89Å
403	L	98.6	Very high	93.2	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	161.9	178.3	70.8	166.6	0	0	0	111.7	I312 I401 S487 T490 A491 T501 Y502 F503 Y504	I312-L403 HydrophobicContact CB-CB 3.91Å; I312-L403 VanDerWaalsContact O-CA 3.26Å; I312-L403 WeakPolarHBondContact O-CA 3.23Å; I312-L403 WeakPolarHBondContact O-CB 3.45Å; I401-L403 HydrophobicContact CG2-CB 4.35Å; I401-L403 HydrophobicContact CG2-CD2 3.94Å; L403-S487 VanDerWaalsContact CD1-O 3.25Å; L403-S487 WeakPolarHBondContact CD1-O 3.38Å; L403-T490 HydrophobicContact CD1-CG2 4.03Å; L403-A491 HydrophobicContact CD1-CB 4.01Å; L403-A491 HydrophobicContact CD2-CB 3.98Å; L403-A491 HydrophobicContact CG-CB 4.34Å; L403-T501 HydrophobicContact CD2-CG2 3.66Å; L403-Y502 PolarHBondContact N-O 3.32Å; L403-F503 HydrophobicContact CD1-CD2 4.46Å; L403-F503 HydrophobicContact CD1-CE2 4.38Å; L403-F503 HydrophobicContact CD2-CD2 4.19Å; L403-F503 HydrophobicContact CG-CD2 3.85Å; L403-F503 HydrophobicContact CG-CE2 4.11Å; L403-F503 CarbonylContact O-C 3.57Å; L403-F503 VanDerWaalsContact O-CA 3.23Å; L403-F503 WeakPolarHBondContact O-CA 3.46Å; L403-Y504 VanDerWaalsContact O-CD1 3.31Å; L403-Y504 WeakPolarHBondContact O-CD1 3.4Å; L403-Y504 PolarHBondContact O-N 3.25Å
404	G	98.5	Very high	93.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.9	179.9	178.5	0	0	0	0	0	113.4	I312 S314 Y504	I312-G404 PolarHBondContact O-N 2.84Å; S314-G404 PolarHBondContact N-O 3.38Å; G404-Y504 WeakPolarHBondContact CA-O 3.23Å
405	V	98.6	Very high	93.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	161.1	-171.7	-64.1	0	0	0	0	111	W483 V484 S487 F503 Y504 A505 F506 Y616	V405-W483 HydrophobicContact CG1-CB 4.11Å; V405-V484 HydrophobicContact CG2-CG2 4.21Å; V405-S487 WeakPolarHBondContact CG1-OG 3.4Å; V405-F503 HydrophobicContact CG2-CZ 4.49Å; V405-Y504 PolarHBondContact N-O 3.39Å; V405-A505 CarbonylContact O-C 3.54Å; V405-A505 VanDerWaalsContact O-CA 3.29Å; V405-A505 WeakPolarHBondContact O-CA 3.24Å; V405-F506 PolarHBondContact O-N 3.08Å; V405-Y616 HydrophobicContact CG2-CD1 4.29Å; V405-Y616 HydrophobicContact CG2-CE1 3.56Å
406	N	98.3	Very high	93.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	154.9	173	-58.9	-15.1	0	0	0	110.2	G408 E409 F506 A521 A522 E526	N406-G408 VanDerWaalsContact C-N 3.31Å; N406-G408 PolarHBondContact O-N 3.3Å; N406-E409 HydrophobicContact CB-CG 4.26Å; N406-E409 PolarHBondContact N-OE1 3.11Å; N406-E409 WeakPolarHBondContact O-CG 3.35Å; N406-F506 VanDerWaalsContact OD1-CB 3.26Å; N406-F506 WeakPolarHBondContact OD1-CB 3.43Å; N406-A521 HydrophobicContact CB-CB 4.34Å; N406-A522 PolarHBondContact ND2-O 3.1Å; N406-E526 PolarHBondContact ND2-OE2 3.08Å
407	Q	96.6	Very high	93.7	Very high	43 Å²	43	26.5 Å²	26.5	20%	0.201	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-36.7	-174.6	-178.6	-173.5	-8	0	0	114.1	F506 Y507 D520	Q407-F506 PolarHBondContact N-O 3.2Å; Q407-Y507 HydrophobicContact CB-CD1 4.03Å; Q407-Y507 HydrophobicContact CB-CE1 4.37Å; Q407-Y507 HydrophobicContact CB-CG 4.21Å; Q407-Y507 HydrophobicContact CG-CD1 3.8Å; Q407-Y507 HydrophobicContact CG-CE1 3.89Å; Q407-Y507 HydrophobicContact CG-CG 4.48Å; Q407-D520 HydrophobicContact CB-CB 4.27Å; Q407-D520 VanDerWaalsContact CD-CG 3.45Å; Q407-D520 HydrophobicContact CG-CB 4.04Å; Q407-D520 PolarHBondContact NE2-OD1 2.82Å; Q407-D520 PolarHBondContact NE2-OD2 2.97Å; Q407-D520 VanDerWaalsContact NE2-OD2 3.15Å
408	G	95.5	Very high	94.5	Very high	4 Å²	4	26 Å²	26	4%	0.041	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.8	47.4	-171.2	0	0	0	0	0	112.7	N406 G410 L411 A521 A522	N406-G408 VanDerWaalsContact C-N 3.31Å; N406-G408 PolarHBondContact O-N 3.3Å; G408-G410 PolarHBondContact O-N 3.49Å; G408-G410 VanDerWaalsContact O-N 3.14Å; G408-L411 PolarHBondContact O-N 2.82Å; G408-A521 CarbonylContact C-O 3.37Å; G408-A521 WeakPolarHBondContact CA-O 3.35Å; G408-A521 PolarHBondContact N-O 2.97Å; G408-A522 WeakPolarHBondContact O-CA 3.31Å
409	E	96.2	Very high	94.9	Very high	4 Å²	4	22.2 Å²	22.2	2%	0.019	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.3	-46.9	178.6	-58.8	-81.8	-169.4	0	0	112	S314 N406 L411 T479 W483 H523	S314-E409 WeakPolarHBondContact CB-OE1 3.28Å; S314-E409 PolarHBondContact OG-OE1 3.13Å; N406-E409 HydrophobicContact CB-CG 4.26Å; N406-E409 PolarHBondContact N-OE1 3.11Å; N406-E409 WeakPolarHBondContact O-CG 3.35Å; E409-L411 PolarHBondContact O-N 2.67Å; E409-T479 HydrophobicContact CB-CG2 3.88Å; E409-T479 HydrophobicContact CG-CG2 3.84Å; E409-T479 PolarHBondContact N-OG1 3.17Å; E409-W483 HydrophobicContact CB-CD2 3.42Å; E409-W483 VanDerWaalsContact CB-CD2 3.42Å; E409-W483 HydrophobicContact CB-CE3 3.36Å; E409-W483 HydrophobicContact CB-CG 3.97Å; E409-W483 HydrophobicContact CB-CH2 3.99Å; E409-W483 HydrophobicContact CB-CZ2 4.07Å; E409-W483 HydrophobicContact CB-CZ3 3.66Å; E409-W483 HydrophobicContact CG-CB 3.93Å; E409-W483 HydrophobicContact CG-CD2 3.77Å; E409-W483 HydrophobicContact CG-CE3 4.08Å; E409-W483 HydrophobicContact CG-CG 3.73Å; E409-H523 WeakPolarHBondContact OE2-CA 2.97Å; E409-H523 WeakPolarHBondContact OE2-CB 3.07Å; E409-H523 IonicContact OE2-CE1 3.8Å; E409-H523 IonicContact OE2-CG 3.79Å; E409-H523 IonicContact OE2-ND1 3.66Å; E409-H523 PolarHBondContact OE2-ND1 3.36Å
410	G	93.6	Very high	94.7	Very high	2 Å²	2	28.2 Å²	28.2	2%	0.021	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	27.3	-174	0	0	0	0	0	116.4	G408 K412 F413 T479	G408-G410 PolarHBondContact O-N 3.49Å; G408-G410 VanDerWaalsContact O-N 3.14Å; G410-K412 VanDerWaalsContact C-N 3.3Å; G410-K412 PolarHBondContact O-N 2.96Å; G410-F413 VanDerWaalsContact O-CB 3.27Å; G410-F413 WeakPolarHBondContact O-CB 3.41Å; G410-F413 PolarHBondContact O-N 3.1Å; G410-F413 VanDerWaalsContact O-N 3.09Å; G410-T479 PolarHBondContact N-OG1 2.94Å
411	L	94.2	Very high	94.5	Very high	12 Å²	12	34.6 Å²	34.6	6%	0.063	20%	0.203	C	C	.	.	H	α-helix	trans	-52.6	-46.8	-179.7	176.9	61.9	0	0	0	112.4	V121 G408 E409 F413 V414 W518 A522	V121-L411 HydrophobicContact CG2-CD2 4.21Å; G408-L411 PolarHBondContact O-N 2.82Å; E409-L411 PolarHBondContact O-N 2.67Å; L411-F413 PolarHBondContact O-N 2.83Å; L411-V414 WeakPolarHBondContact O-CG2 3.23Å; L411-V414 PolarHBondContact O-N 3.09Å; L411-W518 HydrophobicContact CD1-CH2 3.44Å; L411-W518 VanDerWaalsContact CD1-CH2 3.44Å; L411-W518 HydrophobicContact CD1-CZ2 4.48Å; L411-W518 HydrophobicContact CD1-CZ3 3.51Å; L411-A522 HydrophobicContact CB-CB 3.85Å; L411-A522 HydrophobicContact CD2-CB 3.77Å; L411-A522 HydrophobicContact CG-CB 4.46Å
412	K	92.3	Very high	94.2	Very high	37 Å²	37	38 Å²	38	16%	0.161	22%	0.221	C	C	.	.	H	α-helix	trans	-66.8	-15.3	-178.1	-73	-64	-165.7	161.7	0	114	E116 V117 G410 V414 E415	E116-K412 IonicContact OE2-NZ 3.36Å; E116-K412 PolarHBondContact OE2-NZ 3.24Å; V117-K412 HydrophobicContact CG1-CB 4.2Å; G410-K412 VanDerWaalsContact C-N 3.3Å; G410-K412 PolarHBondContact O-N 2.96Å; K412-V414 VanDerWaalsContact C-N 3.32Å; K412-V414 PolarHBondContact O-N 3.23Å; K412-E415 WeakPolarHBondContact CD-OE2 3.31Å; K412-E415 WeakPolarHBondContact CE-OE2 3.17Å; K412-E415 IonicContact NZ-OE1 3.71Å; K412-E415 IonicContact NZ-OE2 2.7Å; K412-E415 PolarHBondContact NZ-OE2 3.01Å
413	F	93.2	Very high	94	Very high	17 Å²	17	38 Å²	38	8%	0.075	22%	0.221	C	C	.	.	H	α-helix	trans	-68.5	-31	177.3	178	-115.6	0	0	0	112.7	Y370 G410 L411 F436 L474 L477 F478	Y370-F413 VanDerWaalsContact OH-CE2 3.29Å; Y370-F413 WeakPolarHBondContact OH-CE2 3.32Å; G410-F413 VanDerWaalsContact O-CB 3.27Å; G410-F413 WeakPolarHBondContact O-CB 3.41Å; G410-F413 PolarHBondContact O-N 3.1Å; G410-F413 VanDerWaalsContact O-N 3.09Å; L411-F413 PolarHBondContact O-N 2.83Å; F413-F436 HydrophobicContact CZ-CB 4.24Å; F413-F436 HydrophobicContact CZ-CD2 4.48Å; F413-L474 HydrophobicContact CE1-CB 4.36Å; F413-L474 HydrophobicContact CE1-CD2 4.35Å; F413-L477 HydrophobicContact CE1-CD2 4.26Å; F413-L477 HydrophobicContact CZ-CD2 4.47Å; F413-F478 HydrophobicContact CB-CB 3.9Å; F413-F478 HydrophobicContact CB-CD1 3.62Å; F413-F478 HydrophobicContact CB-CD2 4.31Å; F413-F478 HydrophobicContact CB-CE1 4.23Å; F413-F478 HydrophobicContact CB-CG 3.68Å; F413-F478 HydrophobicContact CD1-CB 3.56Å; F413-F478 HydrophobicContact CD1-CD2 4.31Å; F413-F478 AromaticContact CD1-CG 4Å; F413-F478 HydrophobicContact CD1-CG 4Å; F413-F478 HydrophobicContact CD2-CB 4.36Å; F413-F478 HydrophobicContact CD2-CD1 4.41Å; F413-F478 AromaticContact CD2-CD2 3.64Å; F413-F478 HydrophobicContact CD2-CD2 3.64Å; F413-F478 HydrophobicContact CD2-CE2 4Å; F413-F478 AromaticContact CD2-CG 3.89Å; F413-F478 HydrophobicContact CD2-CG 3.89Å; F413-F478 HydrophobicContact CE1-CB 4.14Å; F413-F478 AromaticContact CE2-CD2 3.98Å; F413-F478 HydrophobicContact CE2-CD2 3.98Å; F413-F478 HydrophobicContact CE2-CE2 4.4Å; F413-F478 HydrophobicContact CG-CB 3.68Å; F413-F478 HydrophobicContact CG-CD1 4.05Å; F413-F478 AromaticContact CG-CD2 3.83Å; F413-F478 HydrophobicContact CG-CD2 3.83Å; F413-F478 AromaticContact CG-CG 3.58Å; F413-F478 HydrophobicContact CG-CG 3.58Å; F413-F478 HydrophobicContact CZ-CD2 4.42Å
414	V	92.9	Very high	93.9	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-102.8	-12.1	-175.6	-58.4	0	0	0	0	114	L411 K412 G416 V417 V418 R471 L474 V475 W518	L411-V414 WeakPolarHBondContact O-CG2 3.23Å; L411-V414 PolarHBondContact O-N 3.09Å; K412-V414 VanDerWaalsContact C-N 3.32Å; K412-V414 PolarHBondContact O-N 3.23Å; V414-G416 PolarHBondContact O-N 3.15Å; V414-G416 VanDerWaalsContact O-N 3.08Å; V414-V417 HydrophobicContact CB-CG2 4.2Å; V414-V417 WeakPolarHBondContact O-CG2 3.38Å; V414-V417 PolarHBondContact O-N 2.89Å; V414-V418 HydrophobicContact CB-CG2 4.08Å; V414-V418 HydrophobicContact CG2-CG2 3.95Å; V414-V418 WeakPolarHBondContact O-CG2 3.42Å; V414-V418 PolarHBondContact O-N 3.25Å; V414-V418 VanDerWaalsContact O-N 3.12Å; V414-R471 HydrophobicContact CG2-CG 4.26Å; V414-L474 HydrophobicContact CG1-CB 3.55Å; V414-L474 HydrophobicContact CG1-CD1 4.38Å; V414-V475 HydrophobicContact CB-CG2 4.28Å; V414-V475 HydrophobicContact CG1-CG2 3.77Å; V414-V475 HydrophobicContact CG2-CG2 3.48Å; V414-V475 VanDerWaalsContact CG2-CG2 3.48Å; V414-W518 HydrophobicContact CG2-CH2 3.99Å
415	E	86.9	Confident	93.8	Very high	97 Å²	97	39.6 Å²	39.6	45%	0.453	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-36.7	-170.7	-171.8	174.3	-154.3	0	0	113.5	K412 V417	K412-E415 WeakPolarHBondContact CD-OE2 3.31Å; K412-E415 WeakPolarHBondContact CE-OE2 3.17Å; K412-E415 IonicContact NZ-OE1 3.71Å; K412-E415 IonicContact NZ-OE2 2.7Å; K412-E415 PolarHBondContact NZ-OE2 3.01Å; E415-V417 PolarHBondContact O-N 3.3Å
416	G	88.7	Confident	93.6	Very high	81 Å²	81	41.2 Å²	41.2	84%	0.835	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-7.6	178.6	0	0	0	0	0	116.1	V414	V414-G416 PolarHBondContact O-N 3.15Å; V414-G416 VanDerWaalsContact O-N 3.08Å
417	V	93	Very high	93.5	Very high	33 Å²	33	46.2 Å²	46.2	20%	0.2	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.1	-1.1	-177.9	-62.4	0	0	0	0	113.4	V414 E415 V424 D428	V414-V417 HydrophobicContact CB-CG2 4.2Å; V414-V417 WeakPolarHBondContact O-CG2 3.38Å; V414-V417 PolarHBondContact O-N 2.89Å; E415-V417 PolarHBondContact O-N 3.3Å; V417-V424 HydrophobicContact CG2-CG1 4.35Å; V417-V424 HydrophobicContact CG2-CG2 4.22Å; V417-D428 HydrophobicContact CB-CB 4.15Å; V417-D428 HydrophobicContact CG1-CB 4.44Å
418	V	93.6	Very high	93.5	Very high	34 Å²	34	47 Å²	47	21%	0.206	29%	0.285	C	S	.	.			trans	-78.2	126.7	175.3	172.1	0	0	0	0	109.4	V414 G423 V424 R471 W518	V414-V418 HydrophobicContact CB-CG2 4.08Å; V414-V418 HydrophobicContact CG2-CG2 3.95Å; V414-V418 WeakPolarHBondContact O-CG2 3.42Å; V414-V418 PolarHBondContact O-N 3.25Å; V414-V418 VanDerWaalsContact O-N 3.12Å; V418-G423 CarbonylContact C-O 3.59Å; V418-G423 WeakPolarHBondContact CA-O 3.19Å; V418-V424 HydrophobicContact CG2-CG2 3.96Å; V418-R471 HydrophobicContact CG2-CG 3.77Å; V418-W518 HydrophobicContact CG1-CZ2 4.21Å; V418-W518 HydrophobicContact CG2-CH2 4.39Å; V418-W518 HydrophobicContact CG2-CZ2 4.12Å
419	D	92.6	Very high	93.5	Very high	56 Å²	56	47.1 Å²	47.1	30%	0.299	29%	0.285	S	S	.	.			trans	-78.3	168.1	176.7	67.8	42	0	0	0	111.9	E421 D422 G423	D419-E421 PolarHBondContact O-N 2.91Å; D419-E421 VanDerWaalsContact O-N 3.11Å; D419-E421 VanDerWaalsContact OD1-C 3.29Å; D419-E421 VanDerWaalsContact OD1-CA 3.29Å; D419-E421 WeakPolarHBondContact OD1-CA 3.1Å; D419-E421 WeakPolarHBondContact OD1-CB 3.44Å; D419-E421 PolarHBondContact OD1-N 3.05Å; D419-D422 PolarHBondContact O-N 3.26Å; D419-D422 PolarHBondContact OD1-N 3.41Å; D419-G423 PolarHBondContact N-O 3.4Å; D419-G423 WeakPolarHBondContact OD1-CA 3.11Å; D419-G423 PolarHBondContact OD1-N 3Å; D419-G423 WeakPolarHBondContact OD2-CA 3.28Å
420	P	92.1	Very high	93.5	Very high	137 Å²	137	50.3 Å²	50.3	89%	0.89	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-12.4	179	-24.6	35.7	0	0	0	115.6	D422	P420-D422 VanDerWaalsContact C-N 3.27Å
421	E	92	Very high	93.5	Very high	168 Å²	168	57 Å²	57	79%	0.785	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	15.5	173.8	-59.6	-172.7	171.6	0	0	111.4	D419 G423	D419-E421 PolarHBondContact O-N 2.91Å; D419-E421 VanDerWaalsContact O-N 3.11Å; D419-E421 VanDerWaalsContact OD1-C 3.29Å; D419-E421 VanDerWaalsContact OD1-CA 3.29Å; D419-E421 WeakPolarHBondContact OD1-CA 3.1Å; D419-E421 WeakPolarHBondContact OD1-CB 3.44Å; D419-E421 PolarHBondContact OD1-N 3.05Å; E421-G423 PolarHBondContact O-N 3.31Å
422	D	92.6	Very high	93.6	Very high	71 Å²	71	56.9 Å²	56.9	38%	0.38	33%	0.328	S	S	.	.	S	Bend	trans	62.1	19.1	-177.8	-59.6	-47.8	0	0	0	113.6	D419 P420 R471 W518	D419-D422 PolarHBondContact O-N 3.26Å; D419-D422 PolarHBondContact OD1-N 3.41Å; P420-D422 VanDerWaalsContact C-N 3.27Å; D422-R471 WeakPolarHBondContact O-CD 3.42Å; D422-R471 PolarHBondContact O-NH1 2.87Å; D422-W518 HydrophobicContact CB-CG 4.44Å; D422-W518 PolarHBondContact OD1-NE1 3.33Å
423	G	94.5	Very high	93.7	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.01	32%	0.32	C	S	.	.			trans	-94.2	169.3	177.8	0	0	0	0	0	113.8	V418 D419 E421	V418-G423 CarbonylContact C-O 3.59Å; V418-G423 WeakPolarHBondContact CA-O 3.19Å; D419-G423 PolarHBondContact N-O 3.4Å; D419-G423 WeakPolarHBondContact OD1-CA 3.11Å; D419-G423 PolarHBondContact OD1-N 3Å; D419-G423 WeakPolarHBondContact OD2-CA 3.28Å; E421-G423 PolarHBondContact O-N 3.31Å
424	V	96.5	Very high	93.7	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	33%	0.325	C	S	.	.			trans	-124.6	134	162.2	175.9	0	0	0	0	108.8	V417 V418 D428 P467 R470 R471 L474	V417-V424 HydrophobicContact CG2-CG1 4.35Å; V417-V424 HydrophobicContact CG2-CG2 4.22Å; V418-V424 HydrophobicContact CG2-CG2 3.96Å; V424-D428 HydrophobicContact CG1-CB 3.74Å; V424-P467 PolarHBondContact N-O 3.31Å; V424-P467 VanDerWaalsContact N-O 3.08Å; V424-R470 PolarHBondContact O-NH1 2.95Å; V424-R471 HydrophobicContact CB-CB 4.36Å; V424-R471 HydrophobicContact CG2-CB 3.72Å; V424-R471 HydrophobicContact CG2-CG 3.93Å; V424-L474 HydrophobicContact CB-CD1 4.26Å; V424-L474 HydrophobicContact CG1-CD1 3.64Å; V424-L474 HydrophobicContact CG2-CD1 4.28Å
425	S	96.2	Very high	93.7	Very high	35 Å²	35	56.9 Å²	56.9	25%	0.245	33%	0.332	C	S	.	.			trans	-71.6	162.9	179.9	84.6	0	0	0	0	112.6	T427 D428 F429 R470	S425-T427 VanDerWaalsContact C-N 3.29Å; S425-T427 PolarHBondContact OG-OG1 2.84Å; S425-D428 WeakPolarHBondContact CB-OD2 3.09Å; S425-D428 PolarHBondContact O-N 2.97Å; S425-D428 WeakPolarHBondContact OG-CB 3.37Å; S425-D428 PolarHBondContact OG-N 2.89Å; S425-D428 VanDerWaalsContact OG-N 3.07Å; S425-D428 PolarHBondContact OG-OD2 3.09Å; S425-F429 WeakPolarHBondContact O-CB 3.36Å; S425-F429 PolarHBondContact O-N 3.4Å; S425-R470 VanDerWaalsContact CA-NH1 3.27Å; S425-R470 PolarHBondContact O-NH1 3.09Å
426	G	94.5	Very high	94	Very high	34 Å²	34	52.3 Å²	52.3	35%	0.351	31%	0.311	S	S	.	.	H	α-helix	trans	-70.5	-36.6	-175	0	0	0	0	0	110.2	F429 D430	G426-F429 WeakPolarHBondContact O-CB 3.35Å; G426-F429 PolarHBondContact O-N 2.99Å; G426-D430 PolarHBondContact O-N 3.42Å
427	T	95.5	Very high	94.2	Very high	104 Å²	104	48.4 Å²	48.4	64%	0.638	27%	0.271	S	S	*	.	H	α-helix	trans	-63.6	-42.2	173.2	43.3	0	0	0	0	112.1	S425 D430 Y431	S425-T427 VanDerWaalsContact C-N 3.29Å; S425-T427 PolarHBondContact OG-OG1 2.84Å; T427-D430 PolarHBondContact O-N 2.95Å; T427-Y431 VanDerWaalsContact O-CB 3.28Å; T427-Y431 WeakPolarHBondContact O-CB 3.01Å; T427-Y431 PolarHBondContact O-N 3.33Å
428	D	96.2	Very high	94	Very high	59 Å²	59	47.8 Å²	47.8	32%	0.316	27%	0.266	S	S	.	.	H	α-helix	trans	-72	-34.2	178.8	-64.9	-37.9	0	0	0	111.9	V417 V424 S425 S432	V417-D428 HydrophobicContact CB-CB 4.15Å; V417-D428 HydrophobicContact CG1-CB 4.44Å; V424-D428 HydrophobicContact CG1-CB 3.74Å; S425-D428 WeakPolarHBondContact CB-OD2 3.09Å; S425-D428 PolarHBondContact O-N 2.97Å; S425-D428 WeakPolarHBondContact OG-CB 3.37Å; S425-D428 PolarHBondContact OG-N 2.89Å; S425-D428 VanDerWaalsContact OG-N 3.07Å; S425-D428 PolarHBondContact OG-OD2 3.09Å; D428-S432 WeakPolarHBondContact O-CB 3.41Å; D428-S432 PolarHBondContact O-N 2.94Å; D428-S432 PolarHBondContact O-OG 2.83Å
429	F	96.7	Very high	93.9	Very high	8 Å²	8	48.8 Å²	48.8	4%	0.035	27%	0.27	C	S	.	.	H	α-helix	trans	-59.3	-54.4	170.5	179.7	-86	0	0	0	111	S425 G426 Y431 S432 V433 K455 R470 L474	S425-F429 WeakPolarHBondContact O-CB 3.36Å; S425-F429 PolarHBondContact O-N 3.4Å; G426-F429 WeakPolarHBondContact O-CB 3.35Å; G426-F429 PolarHBondContact O-N 2.99Å; F429-Y431 VanDerWaalsContact C-N 3.33Å; F429-Y431 PolarHBondContact O-N 2.93Å; F429-S432 PolarHBondContact O-N 3.45Å; F429-V433 HydrophobicContact CD1-CG2 4.28Å; F429-V433 HydrophobicContact CE1-CG2 3.92Å; F429-V433 HydrophobicContact CE2-CG2 4.46Å; F429-V433 HydrophobicContact CZ-CG2 4.01Å; F429-V433 WeakPolarHBondContact O-CG2 3.49Å; F429-V433 PolarHBondContact O-N 3.46Å; F429-K455 HydrophobicContact CE1-CB 4.42Å; F429-K455 HydrophobicContact CE1-CG 4.35Å; F429-R470 HydrophobicContact CD2-CB 4.24Å; F429-R470 HydrophobicContact CD2-CG 4.33Å; F429-L474 HydrophobicContact CB-CD1 4.38Å; F429-L474 HydrophobicContact CD2-CD1 3.9Å; F429-L474 HydrophobicContact CD2-CD2 3.51Å; F429-L474 HydrophobicContact CD2-CG 3.47Å; F429-L474 VanDerWaalsContact CD2-CG 3.47Å; F429-L474 HydrophobicContact CE2-CD2 3.68Å; F429-L474 HydrophobicContact CE2-CG 3.83Å; F429-L474 HydrophobicContact CG-CD2 4.21Å; F429-L474 HydrophobicContact CG-CG 4.43Å
430	D	95.2	Very high	93.7	Very high	70 Å²	70	47.4 Å²	47.4	37%	0.374	26%	0.263	S	S	.	.	H	α-helix	trans	-60.7	-43.1	-179.7	-78.3	-26	0	0	0	112.1	G426 T427 S434 K455	G426-D430 PolarHBondContact O-N 3.42Å; T427-D430 PolarHBondContact O-N 2.95Å; D430-S434 VanDerWaalsContact O-CB 3.31Å; D430-S434 WeakPolarHBondContact O-CB 3.41Å; D430-S434 PolarHBondContact O-N 2.98Å; D430-S434 PolarHBondContact O-OG 2.79Å; D430-K455 WeakPolarHBondContact OD1-CD 3.33Å; D430-K455 WeakPolarHBondContact OD1-CE 3.19Å; D430-K455 IonicContact OD1-NZ 2.79Å
431	Y	95.2	Very high	93.4	Very high	144 Å²	144	43.2 Å²	43.2	57%	0.565	23%	0.23	S	C	*	.	H	α-helix	trans	-62.1	-46.5	176.5	177.2	-101.2	0	0	0	111.7	T427 F429 S434 N435	T427-Y431 VanDerWaalsContact O-CB 3.28Å; T427-Y431 WeakPolarHBondContact O-CB 3.01Å; T427-Y431 PolarHBondContact O-N 3.33Å; F429-Y431 VanDerWaalsContact C-N 3.33Å; F429-Y431 PolarHBondContact O-N 2.93Å; Y431-S434 PolarHBondContact O-N 3.47Å; Y431-N435 WeakPolarHBondContact O-CB 3.32Å; Y431-N435 PolarHBondContact O-N 3.45Å; Y431-N435 PolarHBondContact OH-ND2 3.46Å
432	S	95.4	Very high	92.8	Very high	9 Å²	9	36.3 Å²	36.3	6%	0.063	20%	0.204	C	C	.	.	H	α-helix	trans	-63.6	-44.1	-178.7	-60.9	0	0	0	0	111.8	D428 F429 F436	D428-S432 WeakPolarHBondContact O-CB 3.41Å; D428-S432 PolarHBondContact O-N 2.94Å; D428-S432 PolarHBondContact O-OG 2.83Å; F429-S432 PolarHBondContact O-N 3.45Å; S432-F436 VanDerWaalsContact O-CB 3.25Å; S432-F436 WeakPolarHBondContact O-CB 3.34Å; S432-F436 PolarHBondContact O-N 3.09Å
433	V	94.8	Very high	91.6	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.2	-43.9	175.6	176.9	0	0	0	0	111	F429 F436 V437 I454 K455 L474 L477	F429-V433 HydrophobicContact CD1-CG2 4.28Å; F429-V433 HydrophobicContact CE1-CG2 3.92Å; F429-V433 HydrophobicContact CE2-CG2 4.46Å; F429-V433 HydrophobicContact CZ-CG2 4.01Å; F429-V433 WeakPolarHBondContact O-CG2 3.49Å; F429-V433 PolarHBondContact O-N 3.46Å; V433-F436 WeakPolarHBondContact O-CB 3.49Å; V433-F436 PolarHBondContact O-N 3.07Å; V433-V437 WeakPolarHBondContact O-CG2 3.42Å; V433-V437 PolarHBondContact O-N 2.96Å; V433-I454 HydrophobicContact CG1-CB 4.19Å; V433-I454 HydrophobicContact CG1-CG2 3.65Å; V433-K455 HydrophobicContact CB-CG 4.14Å; V433-K455 HydrophobicContact CG1-CG 3.73Å; V433-K455 HydrophobicContact CG2-CG 4.44Å; V433-L474 HydrophobicContact CG2-CD2 3.91Å; V433-L477 HydrophobicContact CG1-CD1 4.47Å; V433-L477 HydrophobicContact CG2-CD1 3.91Å
434	S	92.8	Very high	89.9	Confident	25 Å²	25	44.6 Å²	44.6	18%	0.175	24%	0.238	C	C	.	.	H	α-helix	trans	-60.5	-50.7	178.7	-55.1	0	0	0	0	111.1	D430 Y431 F436 V437 D438 R451	D430-S434 VanDerWaalsContact O-CB 3.31Å; D430-S434 WeakPolarHBondContact O-CB 3.41Å; D430-S434 PolarHBondContact O-N 2.98Å; D430-S434 PolarHBondContact O-OG 2.79Å; Y431-S434 PolarHBondContact O-N 3.47Å; S434-F436 VanDerWaalsContact C-N 3.3Å; S434-F436 PolarHBondContact O-N 3.21Å; S434-V437 PolarHBondContact O-N 2.99Å; S434-D438 WeakPolarHBondContact O-CB 3.4Å; S434-D438 PolarHBondContact O-N 2.94Å; S434-R451 WeakPolarHBondContact OG-CD 3.21Å
435	N	92.5	Very high	88.2	Confident	29 Å²	29	52.2 Å²	52.2	16%	0.155	27%	0.274	C	S	.	.	H	α-helix	trans	-61.2	-38.9	179.4	-169.8	-49.9	0	0	0	111.6	R369 Y431 D438 N439	R369-N435 PolarHBondContact NH1-OD1 3.03Å; Y431-N435 WeakPolarHBondContact O-CB 3.32Å; Y431-N435 PolarHBondContact O-N 3.45Å; Y431-N435 PolarHBondContact OH-ND2 3.46Å; N435-D438 PolarHBondContact O-N 3.09Å; N435-N439 PolarHBondContact O-N 2.88Å; N435-N439 VanDerWaalsContact O-N 3.13Å; N435-N439 PolarHBondContact O-ND2 2.83Å; N435-N439 PolarHBondContact OD1-ND2 3.1Å
436	F	93.6	Very high	86.4	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-60.3	-50.6	174.2	173.7	-94.8	0	0	0	112.2	Y370 F413 S432 V433 S434 D438 N439 L440 L477 F478 H481 W624	Y370-F436 HydrophobicContact CE2-CD2 4.29Å; F413-F436 HydrophobicContact CZ-CB 4.24Å; F413-F436 HydrophobicContact CZ-CD2 4.48Å; S432-F436 VanDerWaalsContact O-CB 3.25Å; S432-F436 WeakPolarHBondContact O-CB 3.34Å; S432-F436 PolarHBondContact O-N 3.09Å; V433-F436 WeakPolarHBondContact O-CB 3.49Å; V433-F436 PolarHBondContact O-N 3.07Å; S434-F436 VanDerWaalsContact C-N 3.3Å; S434-F436 PolarHBondContact O-N 3.21Å; F436-D438 VanDerWaalsContact C-N 3.32Å; F436-D438 PolarHBondContact O-N 2.84Å; F436-N439 PolarHBondContact O-N 2.85Å; F436-L440 HydrophobicContact CD1-CD1 4.32Å; F436-L440 HydrophobicContact CD2-CD1 3.75Å; F436-L440 HydrophobicContact CE1-CD1 3.8Å; F436-L440 HydrophobicContact CE2-CD1 3.16Å; F436-L440 HydrophobicContact CE2-CG 4.49Å; F436-L440 HydrophobicContact CG-CD1 4.3Å; F436-L440 HydrophobicContact CZ-CD1 3.19Å; F436-L440 PolarHBondContact O-N 3.13Å; F436-L440 VanDerWaalsContact O-N 3.17Å; F436-L477 HydrophobicContact CD1-CD2 3.82Å; F436-L477 HydrophobicContact CD2-CD2 3.98Å; F436-L477 HydrophobicContact CE1-CD2 3.93Å; F436-L477 HydrophobicContact CE2-CD2 4.06Å; F436-L477 HydrophobicContact CG-CD2 3.84Å; F436-L477 HydrophobicContact CZ-CD2 4.03Å; F436-F478 AromaticContact CD2-CD2 3.75Å; F436-F478 HydrophobicContact CD2-CD2 3.75Å; F436-F478 HydrophobicContact CD2-CE2 4.06Å; F436-F478 AromaticContact CE2-CD2 3.57Å; F436-F478 HydrophobicContact CE2-CD2 3.57Å; F436-F478 AromaticContact CE2-CE2 3.92Å; F436-F478 HydrophobicContact CE2-CE2 3.92Å; F436-H481 HydrophobicContact CE2-CB 4.45Å; F436-H481 HydrophobicContact CZ-CB 3.67Å; F436-H481 AromaticContact CZ-CD2 3.82Å; F436-H481 AromaticContact CZ-CG 3.55Å; F436-H481 AromaticContact CZ-ND1 3.93Å; F436-W624 AromaticContact CE1-CH2 3.87Å; F436-W624 HydrophobicContact CE1-CH2 3.87Å
437	V	92	Very high	85.3	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61.4	-43	178.9	173.8	0	0	0	0	111.4	V433 S434 N439 Y441 K447 L450 I454	V433-V437 WeakPolarHBondContact O-CG2 3.42Å; V433-V437 PolarHBondContact O-N 2.96Å; S434-V437 PolarHBondContact O-N 2.99Å; V437-N439 VanDerWaalsContact C-N 3.32Å; V437-N439 PolarHBondContact O-N 3.28Å; V437-Y441 WeakPolarHBondContact O-CB 3.32Å; V437-Y441 PolarHBondContact O-N 3.19Å; V437-K447 HydrophobicContact CG1-CD 4.37Å; V437-L450 HydrophobicContact CG1-CD2 4.17Å; V437-L450 HydrophobicContact CG1-CG 4.48Å; V437-I454 HydrophobicContact CG2-CD1 3.43Å; V437-I454 VanDerWaalsContact CG2-CD1 3.43Å
438	D	90.3	Very high	84.6	Confident	20 Å²	20	52.2 Å²	52.2	11%	0.107	27%	0.27	C	S	.	.	H	α-helix	trans	-63.6	-37.6	-177.8	-66.7	-13.2	0	0	0	111.9	S434 N435 F436 G442 Y443 R451	S434-D438 WeakPolarHBondContact O-CB 3.4Å; S434-D438 PolarHBondContact O-N 2.94Å; N435-D438 PolarHBondContact O-N 3.09Å; F436-D438 VanDerWaalsContact C-N 3.32Å; F436-D438 PolarHBondContact O-N 2.84Å; D438-G442 WeakPolarHBondContact O-CA 3.38Å; D438-G442 PolarHBondContact O-N 2.99Å; D438-Y443 HydrophobicContact CB-CD2 4.28Å; D438-Y443 HydrophobicContact CB-CE1 4.14Å; D438-Y443 HydrophobicContact CB-CE2 3.63Å; D438-Y443 VanDerWaalsContact CG-CE1 3.42Å; D438-Y443 VanDerWaalsContact CG-OH 3.23Å; D438-Y443 VanDerWaalsContact OD2-CE1 3.31Å; D438-Y443 WeakPolarHBondContact OD2-CE1 3.46Å; D438-Y443 PolarHBondContact OD2-OH 3.49Å; D438-R451 IonicContact OD1-CZ 3.52Å; D438-R451 IonicContact OD1-NH2 2.64Å; D438-R451 PolarHBondContact OD1-NH2 2.69Å
439	N	90.1	Very high	84.2	Confident	54 Å²	54	53.2 Å²	53.2	29%	0.289	28%	0.278	S	S	.	.	H	α-helix	trans	-79.8	-34.3	-179.1	-77.8	-67.9	0	0	0	114.5	R369 Y370 N435 F436 V437	R369-N439 HydrophobicContact CB-CB 4.04Å; R369-N439 WeakPolarHBondContact CB-OD1 3.44Å; Y370-N439 HydrophobicContact CD2-CB 3.72Å; Y370-N439 HydrophobicContact CE2-CB 3.73Å; N435-N439 PolarHBondContact O-N 2.88Å; N435-N439 VanDerWaalsContact O-N 3.13Å; N435-N439 PolarHBondContact O-ND2 2.83Å; N435-N439 PolarHBondContact OD1-ND2 3.1Å; F436-N439 PolarHBondContact O-N 2.85Å; V437-N439 VanDerWaalsContact C-N 3.32Å; V437-N439 PolarHBondContact O-N 3.28Å
440	L	89.1	Confident	83.9	Confident	27 Å²	27	53 Å²	53	14%	0.141	28%	0.278	C	S	.	.	H	α-helix	trans	-89.3	-39	-177.5	-76.7	167.5	0	0	0	112.7	Y370 F436	Y370-L440 HydrophobicContact CD2-CD1 4.36Å; Y370-L440 HydrophobicContact CD2-CD2 4.21Å; Y370-L440 HydrophobicContact CD2-CG 3.89Å; Y370-L440 HydrophobicContact CG-CD2 4.39Å; F436-L440 HydrophobicContact CD1-CD1 4.32Å; F436-L440 HydrophobicContact CD2-CD1 3.75Å; F436-L440 HydrophobicContact CE1-CD1 3.8Å; F436-L440 HydrophobicContact CE2-CD1 3.16Å; F436-L440 HydrophobicContact CE2-CG 4.49Å; F436-L440 HydrophobicContact CG-CD1 4.3Å; F436-L440 HydrophobicContact CZ-CD1 3.19Å; F436-L440 PolarHBondContact O-N 3.13Å; F436-L440 VanDerWaalsContact O-N 3.17Å
441	Y	86.8	Confident	83.7	Confident	49 Å²	49	51 Å²	51	19%	0.192	27%	0.265	C	S	.	.	H	α-helix	trans	-100	-30.6	-176.6	-61.9	-89.9	0	0	0	110.6	V437 K447 L450 H481 V628 Y632	V437-Y441 WeakPolarHBondContact O-CB 3.32Å; V437-Y441 PolarHBondContact O-N 3.19Å; Y441-K447 PolarHBondContact O-NZ 2.73Å; Y441-L450 HydrophobicContact CD1-CD2 4.1Å; Y441-L450 HydrophobicContact CD2-CD2 4.2Å; Y441-L450 HydrophobicContact CE1-CD2 4.49Å; Y441-L450 HydrophobicContact CG-CD2 3.94Å; Y441-H481 AromaticContact CE2-NE2 3.71Å; Y441-H481 AromaticContact CZ-NE2 3.52Å; Y441-H481 PolarHBondContact OH-CD2 3.02Å; Y441-H481 PolarHBondContact OH-NE2 3.4Å; Y441-V628 HydrophobicContact CE1-CG1 3.77Å; Y441-V628 WeakPolarHBondContact OH-CG1 3.48Å; Y441-Y632 AromaticContact CD1-CD2 3.77Å; Y441-Y632 HydrophobicContact CD1-CD2 3.77Å; Y441-Y632 HydrophobicContact CD1-CE2 4.1Å
442	G	79.3	Confident	83.6	Confident	24 Å²	24	48.8 Å²	48.8	25%	0.247	26%	0.26	C	S	.	.			trans	96.6	-172.8	-173.6	0	0	0	0	0	115.2	D438 P444 K447	D438-G442 WeakPolarHBondContact O-CA 3.38Å; D438-G442 PolarHBondContact O-N 2.99Å; G442-P444 VanDerWaalsContact O-CD 3.31Å; G442-P444 WeakPolarHBondContact O-CD 3.46Å; G442-K447 VanDerWaalsContact O-CD 3.29Å; G442-K447 WeakPolarHBondContact O-CD 3.29Å; G442-K447 PolarHBondContact O-NZ 2.82Å
443	Y	67.3	Low	83.5	Confident	189 Å²	189	49.9 Å²	49.9	74%	0.741	27%	0.266	S	S	*	.			trans	-110.2	47.6	-176.4	-79.3	-84.1	0	0	0	117.2	D438	D438-Y443 HydrophobicContact CB-CD2 4.28Å; D438-Y443 HydrophobicContact CB-CE1 4.14Å; D438-Y443 HydrophobicContact CB-CE2 3.63Å; D438-Y443 VanDerWaalsContact CG-CE1 3.42Å; D438-Y443 VanDerWaalsContact CG-OH 3.23Å; D438-Y443 VanDerWaalsContact OD2-CE1 3.31Å; D438-Y443 WeakPolarHBondContact OD2-CE1 3.46Å; D438-Y443 PolarHBondContact OD2-OH 3.49Å
444	P	58.5	Low	83.5	Confident	57 Å²	57	49.9 Å²	49.9	37%	0.37	27%	0.266	S	S	.	.			trans	-81.3	148.6	168.7	33.9	-31.8	0	0	0	112.1	G442 K447	G442-P444 VanDerWaalsContact O-CD 3.31Å; G442-P444 WeakPolarHBondContact O-CD 3.46Å; P444-K447 HydrophobicContact CG-CD 4.03Å; P444-K447 HydrophobicContact CG-CG 4.19Å
445	E	59.3	Low	83.6	Confident	160 Å²	160	50 Å²	50	75%	0.748	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	135.7	175.7	-65.2	179	164.5	0	0	111.1	H635	E445-H635 PolarHBondContact O-CE1 2.93Å; E445-H635 PolarHBondContact O-ND1 3.47Å; E445-H635 VanDerWaalsContact O-ND1 3.13Å; E445-H635 PolarHBondContact O-NE2 3.33Å
446	G	59.5	Low	83.8	Confident	49 Å²	49	54.3 Å²	54.3	51%	0.505	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.8	-5.5	179.3	0	0	0	0	0	116.1	D448 T449	G446-D448 PolarHBondContact O-N 3Å; G446-T449 PolarHBondContact O-N 2.83Å
447	K	70.7	Confident	83.9	Confident	14 Å²	14	56.2 Å²	56.2	6%	0.061	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-5.7	175.2	-78.2	-162.9	-177.2	157.6	0	116.5	V437 Y441 G442 P444 T449 L450 R451	V437-K447 HydrophobicContact CG1-CD 4.37Å; Y441-K447 PolarHBondContact O-NZ 2.73Å; G442-K447 VanDerWaalsContact O-CD 3.29Å; G442-K447 WeakPolarHBondContact O-CD 3.29Å; G442-K447 PolarHBondContact O-NZ 2.82Å; P444-K447 HydrophobicContact CG-CD 4.03Å; P444-K447 HydrophobicContact CG-CG 4.19Å; K447-T449 PolarHBondContact O-N 2.76Å; K447-L450 PolarHBondContact O-N 3.3Å; K447-L450 VanDerWaalsContact O-N 3.11Å; K447-R451 WeakPolarHBondContact O-CB 3.34Å; K447-R451 PolarHBondContact O-N 3.29Å
448	D	82.3	Confident	84.2	Confident	109 Å²	109	56.4 Å²	56.4	58%	0.583	29%	0.291	S	S	*	.	H	α-helix	trans	-57.3	-37.9	169.3	-62.6	-20.7	0	0	0	110.2	G446 L450 R451 E452	G446-D448 PolarHBondContact O-N 3Å; D448-L450 PolarHBondContact O-N 2.95Å; D448-R451 PolarHBondContact O-N 2.87Å; D448-R451 IonicContact OD1-CZ 2.8Å; D448-R451 IonicContact OD1-NH1 3.47Å; D448-R451 PolarHBondContact OD1-NH1 2.99Å; D448-E452 VanDerWaalsContact O-CB 3.31Å; D448-E452 WeakPolarHBondContact O-CB 3.49Å; D448-E452 VanDerWaalsContact O-CG 3.24Å; D448-E452 WeakPolarHBondContact O-CG 3.37Å; D448-E452 PolarHBondContact O-N 3.12Å
449	T	87.9	Confident	84.5	Confident	81 Å²	81	57 Å²	57	50%	0.497	30%	0.295	S	S	.	.	H	α-helix	trans	-60.5	-46.9	174.1	-52	0	0	0	0	112	G446 K447 T453 L631	G446-T449 PolarHBondContact O-N 2.83Å; K447-T449 PolarHBondContact O-N 2.76Å; T449-T453 VanDerWaalsContact O-CB 3.3Å; T449-T453 WeakPolarHBondContact O-CB 3.22Å; T449-T453 PolarHBondContact O-N 2.81Å; T449-T453 PolarHBondContact O-OG1 3.35Å; T449-L631 HydrophobicContact CG2-CD2 4.28Å
450	L	89.4	Confident	84.7	Confident	4 Å²	4	56.7 Å²	56.7	2%	0.021	29%	0.294	C	S	.	.	H	α-helix	trans	-63.6	-47.7	179.4	178.5	60.5	0	0	0	110.8	V437 Y441 K447 D448 T453 I454 V628 L631	V437-L450 HydrophobicContact CG1-CD2 4.17Å; V437-L450 HydrophobicContact CG1-CG 4.48Å; Y441-L450 HydrophobicContact CD1-CD2 4.1Å; Y441-L450 HydrophobicContact CD2-CD2 4.2Å; Y441-L450 HydrophobicContact CE1-CD2 4.49Å; Y441-L450 HydrophobicContact CG-CD2 3.94Å; K447-L450 PolarHBondContact O-N 3.3Å; K447-L450 VanDerWaalsContact O-N 3.11Å; D448-L450 PolarHBondContact O-N 2.95Å; L450-T453 PolarHBondContact O-N 2.84Å; L450-I454 HydrophobicContact CD1-CD1 3.87Å; L450-I454 HydrophobicContact CD1-CG1 4.25Å; L450-I454 HydrophobicContact CG-CD1 3.85Å; L450-I454 VanDerWaalsContact O-CG1 3.31Å; L450-I454 WeakPolarHBondContact O-CG1 3.23Å; L450-I454 PolarHBondContact O-N 2.78Å; L450-V628 HydrophobicContact CD1-CB 4.3Å; L450-V628 HydrophobicContact CD1-CG1 3.81Å; L450-V628 HydrophobicContact CD1-CG2 3.94Å; L450-L631 HydrophobicContact CD1-CB 4.33Å; L450-L631 HydrophobicContact CD1-CD1 4.27Å
451	R	91	Very high	85.1	Confident	26 Å²	26	62.1 Å²	62.1	10%	0.098	31%	0.312	C	S	.	.	H	α-helix	trans	-60.3	-49.4	179.8	-174.1	-177	-62.5	104.4	-0.7	112.1	S434 D438 K447 D448 T453 I454 K455	S434-R451 WeakPolarHBondContact OG-CD 3.21Å; D438-R451 IonicContact OD1-CZ 3.52Å; D438-R451 IonicContact OD1-NH2 2.64Å; D438-R451 PolarHBondContact OD1-NH2 2.69Å; K447-R451 WeakPolarHBondContact O-CB 3.34Å; K447-R451 PolarHBondContact O-N 3.29Å; D448-R451 PolarHBondContact O-N 2.87Å; D448-R451 IonicContact OD1-CZ 2.8Å; D448-R451 IonicContact OD1-NH1 3.47Å; D448-R451 PolarHBondContact OD1-NH1 2.99Å; R451-T453 VanDerWaalsContact C-N 3.31Å; R451-T453 PolarHBondContact O-N 2.72Å; R451-I454 PolarHBondContact O-N 3.09Å; R451-K455 WeakPolarHBondContact O-CG 3.5Å; R451-K455 PolarHBondContact O-N 2.89Å
452	E	92.7	Very high	85.5	Confident	98 Å²	98	63.8 Å²	63.8	46%	0.458	34%	0.337	S	S	.	.	H	α-helix	trans	-66.4	-34.5	179	-67.2	-53.5	124.1	0	0	111.7	D448 K455 F456	D448-E452 VanDerWaalsContact O-CB 3.31Å; D448-E452 WeakPolarHBondContact O-CB 3.49Å; D448-E452 VanDerWaalsContact O-CG 3.24Å; D448-E452 WeakPolarHBondContact O-CG 3.37Å; D448-E452 PolarHBondContact O-N 3.12Å; E452-K455 PolarHBondContact O-N 3.46Å; E452-K455 IonicContact OE1-NZ 3.24Å; E452-K455 PolarHBondContact OE1-NZ 2.71Å; E452-F456 WeakPolarHBondContact O-CB 3.22Å; E452-F456 PolarHBondContact O-N 2.92Å
453	T	93.7	Very high	86.2	Confident	33 Å²	33	66 Å²	66	20%	0.202	34%	0.343	C	S	.	.	H	α-helix	trans	-66.7	-43.2	174.1	-53.9	0	0	0	0	111.6	T449 L450 R451 F456 M457 F623 L627 L631	T449-T453 VanDerWaalsContact O-CB 3.3Å; T449-T453 WeakPolarHBondContact O-CB 3.22Å; T449-T453 PolarHBondContact O-N 2.81Å; T449-T453 PolarHBondContact O-OG1 3.35Å; L450-T453 PolarHBondContact O-N 2.84Å; R451-T453 VanDerWaalsContact C-N 3.31Å; R451-T453 PolarHBondContact O-N 2.72Å; T453-F456 WeakPolarHBondContact O-CB 3.18Å; T453-F456 PolarHBondContact O-N 3.25Å; T453-M457 HydrophobicContact CG2-CG 4.38Å; T453-M457 WeakPolarHBondContact O-CB 3.48Å; T453-M457 VanDerWaalsContact O-CG 3.31Å; T453-M457 WeakPolarHBondContact O-CG 3.19Å; T453-M457 PolarHBondContact O-N 3.37Å; T453-F623 HydrophobicContact CG2-CE2 3.83Å; T453-F623 HydrophobicContact CG2-CZ 4.4Å; T453-L627 HydrophobicContact CG2-CD2 4.28Å; T453-L631 HydrophobicContact CG2-CD1 3.93Å
454	I	94.6	Very high	87.4	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-62.2	-47.3	176.4	-69.4	164.5	0	0	0	110.3	V433 V437 L450 R451 F456 M457 Y458 L477 F623 W624	V433-I454 HydrophobicContact CG1-CB 4.19Å; V433-I454 HydrophobicContact CG1-CG2 3.65Å; V437-I454 HydrophobicContact CG2-CD1 3.43Å; V437-I454 VanDerWaalsContact CG2-CD1 3.43Å; L450-I454 HydrophobicContact CD1-CD1 3.87Å; L450-I454 HydrophobicContact CD1-CG1 4.25Å; L450-I454 HydrophobicContact CG-CD1 3.85Å; L450-I454 VanDerWaalsContact O-CG1 3.31Å; L450-I454 WeakPolarHBondContact O-CG1 3.23Å; L450-I454 PolarHBondContact O-N 2.78Å; R451-I454 PolarHBondContact O-N 3.09Å; I454-F456 VanDerWaalsContact C-N 3.29Å; I454-F456 PolarHBondContact O-N 3.45Å; I454-M457 PolarHBondContact O-N 3.16Å; I454-Y458 HydrophobicContact CG2-CD2 4.15Å; I454-Y458 WeakPolarHBondContact O-CD2 3.34Å; I454-Y458 PolarHBondContact O-N 3.38Å; I454-L477 HydrophobicContact CG2-CD1 3.45Å; I454-L477 VanDerWaalsContact CG2-CD1 3.45Å; I454-L477 HydrophobicContact CG2-CG 4.5Å; I454-F623 HydrophobicContact CB-CZ 4.48Å; I454-F623 HydrophobicContact CG1-CE1 4.05Å; I454-F623 HydrophobicContact CG1-CZ 3.68Å; I454-W624 HydrophobicContact CD1-CH2 3.72Å; I454-W624 HydrophobicContact CD1-CZ3 3.86Å; I454-W624 HydrophobicContact CG1-CH2 3.8Å; I454-W624 HydrophobicContact CG1-CZ3 4.11Å; I454-W624 HydrophobicContact CG2-CH2 4.12Å
455	K	95.6	Very high	89	Confident	27 Å²	27	65.7 Å²	65.7	12%	0.117	34%	0.341	C	S	.	.	H	α-helix	trans	-55.1	-46.6	174.4	-72	176.7	-177.9	174.4	0	111.3	F429 D430 V433 R451 E452 M457 Y458 T459	F429-K455 HydrophobicContact CE1-CB 4.42Å; F429-K455 HydrophobicContact CE1-CG 4.35Å; D430-K455 WeakPolarHBondContact OD1-CD 3.33Å; D430-K455 WeakPolarHBondContact OD1-CE 3.19Å; D430-K455 IonicContact OD1-NZ 2.79Å; V433-K455 HydrophobicContact CB-CG 4.14Å; V433-K455 HydrophobicContact CG1-CG 3.73Å; V433-K455 HydrophobicContact CG2-CG 4.44Å; R451-K455 WeakPolarHBondContact O-CG 3.5Å; R451-K455 PolarHBondContact O-N 2.89Å; E452-K455 PolarHBondContact O-N 3.46Å; E452-K455 IonicContact OE1-NZ 3.24Å; E452-K455 PolarHBondContact OE1-NZ 2.71Å; K455-M457 PolarHBondContact O-N 2.78Å; K455-Y458 PolarHBondContact O-N 2.85Å; K455-T459 WeakPolarHBondContact O-CB 3.31Å; K455-T459 PolarHBondContact O-N 2.96Å; K455-T459 PolarHBondContact O-OG1 2.94Å
456	F	96.1	Very high	90.7	Very high	119 Å²	119	60 Å²	60	52%	0.522	32%	0.316	S	S	.	.	H	α-helix	trans	-59.5	-45.1	177.8	174.5	-91.3	0	0	0	112.3	E452 T453 I454 Y458 T459 W461	E452-F456 WeakPolarHBondContact O-CB 3.22Å; E452-F456 PolarHBondContact O-N 2.92Å; T453-F456 WeakPolarHBondContact O-CB 3.18Å; T453-F456 PolarHBondContact O-N 3.25Å; I454-F456 VanDerWaalsContact C-N 3.29Å; I454-F456 PolarHBondContact O-N 3.45Å; F456-Y458 VanDerWaalsContact C-N 3.33Å; F456-Y458 PolarHBondContact O-N 2.63Å; F456-T459 PolarHBondContact O-N 3.04Å; F456-W461 HydrophobicContact CB-CZ2 4.47Å; F456-W461 AromaticContact CD2-CE2 3.7Å; F456-W461 HydrophobicContact CD2-CH2 4.48Å; F456-W461 AromaticContact CD2-CZ2 3.43Å; F456-W461 HydrophobicContact CD2-CZ2 3.43Å; F456-W461 VanDerWaalsContact CD2-CZ2 3.43Å; F456-W461 AromaticContact CD2-NE1 3.63Å; F456-W461 AromaticContact CE2-CE2 3.83Å; F456-W461 AromaticContact CE2-CZ2 3.95Å; F456-W461 HydrophobicContact CE2-CZ2 3.95Å; F456-W461 AromaticContact CE2-NE1 3.61Å; F456-W461 HydrophobicContact CG-CZ2 4.24Å; F456-W461 PolarHBondContact O-NE1 3.48Å
457	M	96.5	Very high	92.5	Very high	40 Å²	40	60.2 Å²	60.2	20%	0.197	31%	0.308	C	S	.	.	H	α-helix	trans	-69.8	-27.7	-177.8	-73.1	-59	-68.7	0	0	113.6	T453 I454 K455 T619 K620 F623	T453-M457 HydrophobicContact CG2-CG 4.38Å; T453-M457 WeakPolarHBondContact O-CB 3.48Å; T453-M457 VanDerWaalsContact O-CG 3.31Å; T453-M457 WeakPolarHBondContact O-CG 3.19Å; T453-M457 PolarHBondContact O-N 3.37Å; I454-M457 PolarHBondContact O-N 3.16Å; K455-M457 PolarHBondContact O-N 2.78Å; M457-T619 HydrophobicContact CE-CG2 4.45Å; M457-K620 PolarHBondContact O-NZ 2.8Å; M457-F623 HydrophobicContact CB-CE1 4.33Å; M457-F623 HydrophobicContact CB-CE2 4.46Å; M457-F623 HydrophobicContact CB-CZ 4.29Å; M457-F623 HydrophobicContact CE-CB 4.12Å; M457-F623 HydrophobicContact CE-CD2 4.23Å; M457-F623 HydrophobicContact CE-CG 4.15Å; M457-F623 HydrophobicContact CG-CD2 3.83Å; M457-F623 HydrophobicContact CG-CE1 4.42Å; M457-F623 HydrophobicContact CG-CE2 3.71Å; M457-F623 HydrophobicContact CG-CG 4.25Å; M457-F623 HydrophobicContact CG-CZ 4.01Å
458	Y	96.9	Very high	93.7	Very high	5 Å²	5	63.8 Å²	63.8	2%	0.02	33%	0.325	C	S	.	.	H	α-helix	trans	-105.2	8.5	179.8	-76.4	-84.9	0	0	0	114.2	I454 K455 F456 T473 A476 L477 D480 K620 F623 W624	I454-Y458 HydrophobicContact CG2-CD2 4.15Å; I454-Y458 WeakPolarHBondContact O-CD2 3.34Å; I454-Y458 PolarHBondContact O-N 3.38Å; K455-Y458 PolarHBondContact O-N 2.85Å; F456-Y458 VanDerWaalsContact C-N 3.33Å; F456-Y458 PolarHBondContact O-N 2.63Å; Y458-T473 WeakPolarHBondContact CD1-O 3.49Å; Y458-T473 WeakPolarHBondContact O-CB 3.36Å; Y458-T473 WeakPolarHBondContact O-CG2 3.27Å; Y458-T473 PolarHBondContact O-OG1 3.13Å; Y458-A476 HydrophobicContact CE1-CB 4.25Å; Y458-L477 HydrophobicContact CD1-CB 3.66Å; Y458-L477 HydrophobicContact CD2-CB 4.2Å; Y458-L477 HydrophobicContact CD2-CD1 3.84Å; Y458-L477 HydrophobicContact CD2-CG 4.24Å; Y458-L477 HydrophobicContact CE1-CB 3.75Å; Y458-L477 HydrophobicContact CE2-CB 4.26Å; Y458-L477 HydrophobicContact CE2-CD1 4.33Å; Y458-L477 HydrophobicContact CE2-CG 4.28Å; Y458-L477 HydrophobicContact CG-CB 3.9Å; Y458-L477 HydrophobicContact CG-CD1 3.98Å; Y458-L477 HydrophobicContact CG-CG 4.37Å; Y458-D480 WeakPolarHBondContact CE1-OD2 3.31Å; Y458-D480 WeakPolarHBondContact OH-CB 3.35Å; Y458-D480 VanDerWaalsContact OH-CG 3.29Å; Y458-D480 PolarHBondContact OH-OD2 3.29Å; Y458-K620 HydrophobicContact CE1-CD 4.46Å; Y458-F623 HydrophobicContact CE2-CD1 4.4Å; Y458-F623 HydrophobicContact CE2-CE1 4.21Å; Y458-W624 AromaticContact CE2-CZ2 3.65Å; Y458-W624 HydrophobicContact CE2-CZ2 3.65Å; Y458-W624 AromaticContact CE2-NE1 3.97Å; Y458-W624 AromaticContact CZ-NE1 3.81Å; Y458-W624 PolarHBondContact OH-NE1 3.09Å
459	T	96.9	Very high	94.3	Very high	31 Å²	31	59.3 Å²	59.3	19%	0.19	30%	0.302	C	S	.	.	S	Bend	trans	-88.1	124.4	166.9	-63.5	0	0	0	0	109.1	K455 F456 W461 R464	K455-T459 WeakPolarHBondContact O-CB 3.31Å; K455-T459 PolarHBondContact O-N 2.96Å; K455-T459 PolarHBondContact O-OG1 2.94Å; F456-T459 PolarHBondContact O-N 3.04Å; T459-W461 HydrophobicContact CG2-CD2 3.84Å; T459-W461 HydrophobicContact CG2-CE3 4.01Å; T459-W461 HydrophobicContact CG2-CG 4.4Å; T459-W461 HydrophobicContact CG2-CH2 4.1Å; T459-W461 HydrophobicContact CG2-CZ2 3.91Å; T459-W461 HydrophobicContact CG2-CZ3 4.14Å; T459-W461 VanDerWaalsContact O-CD1 3.24Å; T459-W461 PolarHBondContact O-N 2.88Å; T459-W461 VanDerWaalsContact O-N 3.08Å; T459-R464 HydrophobicContact CG2-CB 4.46Å; T459-R464 HydrophobicContact CG2-CG 3.87Å
460	D	95.3	Very high	94.7	Very high	49 Å²	49	57.7 Å²	57.7	26%	0.262	29%	0.287	S	S	.	.			trans	-75.8	95.9	167.5	-171.9	-14.8	0	0	0	109.3	A462 D463 R464 T469	D460-A462 PolarHBondContact O-N 2.98Å; D460-A462 WeakPolarHBondContact OD1-CB 3.22Å; D460-A462 PolarHBondContact OD1-N 3.24Å; D460-D463 CarbonylContact O-C 3.27Å; D460-D463 VanDerWaalsContact O-C 3.27Å; D460-D463 PolarHBondContact O-N 3.2Å; D460-D463 VanDerWaalsContact O-N 3.1Å; D460-D463 PolarHBondContact OD1-N 3.09Å; D460-R464 WeakPolarHBondContact O-CA 3.37Å; D460-R464 PolarHBondContact O-N 3.48Å; D460-T469 HydrophobicContact CB-CG2 3.43Å; D460-T469 VanDerWaalsContact CB-CG2 3.43Å
461	W	96.1	Very high	95	Very high	140 Å²	140	57.8 Å²	57.8	53%	0.53	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-15.4	-179.2	-63.9	102.9	0	0	0	114.2	F456 T459	F456-W461 HydrophobicContact CB-CZ2 4.47Å; F456-W461 AromaticContact CD2-CE2 3.7Å; F456-W461 HydrophobicContact CD2-CH2 4.48Å; F456-W461 AromaticContact CD2-CZ2 3.43Å; F456-W461 HydrophobicContact CD2-CZ2 3.43Å; F456-W461 VanDerWaalsContact CD2-CZ2 3.43Å; F456-W461 AromaticContact CD2-NE1 3.63Å; F456-W461 AromaticContact CE2-CE2 3.83Å; F456-W461 AromaticContact CE2-CZ2 3.95Å; F456-W461 HydrophobicContact CE2-CZ2 3.95Å; F456-W461 AromaticContact CE2-NE1 3.61Å; F456-W461 HydrophobicContact CG-CZ2 4.24Å; F456-W461 PolarHBondContact O-NE1 3.48Å; T459-W461 HydrophobicContact CG2-CD2 3.84Å; T459-W461 HydrophobicContact CG2-CE3 4.01Å; T459-W461 HydrophobicContact CG2-CG 4.4Å; T459-W461 HydrophobicContact CG2-CH2 4.1Å; T459-W461 HydrophobicContact CG2-CZ2 3.91Å; T459-W461 HydrophobicContact CG2-CZ3 4.14Å; T459-W461 VanDerWaalsContact O-CD1 3.24Å; T459-W461 PolarHBondContact O-N 2.88Å; T459-W461 VanDerWaalsContact O-N 3.08Å
462	A	95.9	Very high	95.3	Very high	85 Å²	85	58.9 Å²	58.9	70%	0.702	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-23.6	174.4	0	0	0	0	0	112.4	D460	D460-A462 PolarHBondContact O-N 2.98Å; D460-A462 WeakPolarHBondContact OD1-CB 3.22Å; D460-A462 PolarHBondContact OD1-N 3.24Å
463	D	94.1	Very high	95.5	Very high	71 Å²	71	55 Å²	55	38%	0.38	28%	0.275	S	S	.	.	S	Bend	trans	-143.2	44.2	-175.9	-165.3	27.7	0	0	0	112	D460 D465 N466 T469	D460-D463 CarbonylContact O-C 3.27Å; D460-D463 VanDerWaalsContact O-C 3.27Å; D460-D463 PolarHBondContact O-N 3.2Å; D460-D463 VanDerWaalsContact O-N 3.1Å; D460-D463 PolarHBondContact OD1-N 3.09Å; D463-D465 VanDerWaalsContact C-N 3.27Å; D463-D465 PolarHBondContact O-N 3.26Å; D463-D465 VanDerWaalsContact O-N 3.15Å; D463-N466 HydrophobicContact CB-CB 4.49Å; D463-N466 VanDerWaalsContact CG-CB 3.41Å; D463-N466 WeakPolarHBondContact O-CB 3.39Å; D463-N466 PolarHBondContact O-N 3.05Å; D463-N466 VanDerWaalsContact O-N 3.13Å; D463-N466 WeakPolarHBondContact OD1-CB 3.48Å; D463-N466 WeakPolarHBondContact OD2-CB 3.2Å; D463-N466 PolarHBondContact OD2-ND2 3.03Å; D463-T469 PolarHBondContact OD2-OG1 3.4Å
464	R	92.2	Very high	95.6	Very high	130 Å²	130	53.4 Å²	53.4	49%	0.491	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-40.8	-167.2	-178.8	-168	65.6	-125.1	-9.3	113.7	T459 D460 N466	T459-R464 HydrophobicContact CG2-CB 4.46Å; T459-R464 HydrophobicContact CG2-CG 3.87Å; D460-R464 WeakPolarHBondContact O-CA 3.37Å; D460-R464 PolarHBondContact O-N 3.48Å; R464-N466 VanDerWaalsContact C-N 3.3Å; R464-N466 PolarHBondContact O-N 3.34Å
465	D	92.3	Very high	95.7	Very high	108 Å²	108	54.1 Å²	54.1	58%	0.578	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-8.1	-170.1	-57.1	-33.3	0	0	0	112	D463 P467 R470	D463-D465 VanDerWaalsContact C-N 3.27Å; D463-D465 PolarHBondContact O-N 3.26Å; D463-D465 VanDerWaalsContact O-N 3.15Å; D465-P467 VanDerWaalsContact O-CD 3.29Å; D465-P467 WeakPolarHBondContact O-CD 3.36Å; D465-R470 PolarHBondContact O-NH2 2.97Å
466	N	95.7	Very high	95.8	Very high	42 Å²	42	53.7 Å²	53.7	23%	0.225	27%	0.271	C	S	.	.			trans	-70.7	117.2	-179.9	-174.2	-21.1	0	0	0	111.9	D463 R464 E468 T469 R470	D463-N466 HydrophobicContact CB-CB 4.49Å; D463-N466 VanDerWaalsContact CG-CB 3.41Å; D463-N466 WeakPolarHBondContact O-CB 3.39Å; D463-N466 PolarHBondContact O-N 3.05Å; D463-N466 VanDerWaalsContact O-N 3.13Å; D463-N466 WeakPolarHBondContact OD1-CB 3.48Å; D463-N466 WeakPolarHBondContact OD2-CB 3.2Å; D463-N466 PolarHBondContact OD2-ND2 3.03Å; R464-N466 VanDerWaalsContact C-N 3.3Å; R464-N466 PolarHBondContact O-N 3.34Å; N466-E468 PolarHBondContact O-N 3.43Å; N466-E468 WeakPolarHBondContact OD1-CB 3.4Å; N466-E468 PolarHBondContact OD1-N 3.46Å; N466-T469 PolarHBondContact ND2-OG1 3.3Å; N466-T469 PolarHBondContact O-N 2.95Å; N466-T469 PolarHBondContact OD1-N 3.3Å; N466-R470 PolarHBondContact O-N 3.18Å; N466-R470 PolarHBondContact O-NE 3.14Å
467	P	96.4	Very high	95.9	Very high	53 Å²	53	48 Å²	48	34%	0.344	25%	0.246	S	C	.	.	H	α-helix	trans	-62.2	-37	178.6	-19.9	31.5	0	0	0	114.1	V424 D465 R470 R471	V424-P467 PolarHBondContact N-O 3.31Å; V424-P467 VanDerWaalsContact N-O 3.08Å; D465-P467 VanDerWaalsContact O-CD 3.29Å; D465-P467 WeakPolarHBondContact O-CD 3.36Å; P467-R470 PolarHBondContact O-N 3.15Å; P467-R471 PolarHBondContact O-N 3.19Å
468	E	95.9	Very high	95.9	Very high	89 Å²	89	46.1 Å²	46.1	42%	0.416	24%	0.237	S	C	.	.	H	α-helix	trans	-68.9	-38.8	179.4	-63.8	-179.8	-156.6	0	0	111.3	N466 R470 R471 K472	N466-E468 PolarHBondContact O-N 3.43Å; N466-E468 WeakPolarHBondContact OD1-CB 3.4Å; N466-E468 PolarHBondContact OD1-N 3.46Å; E468-R470 VanDerWaalsContact C-N 3.33Å; E468-R471 WeakPolarHBondContact O-CB 3.19Å; E468-R471 PolarHBondContact O-N 2.83Å; E468-K472 WeakPolarHBondContact O-CG 3.33Å; E468-K472 PolarHBondContact O-N 3.21Å
469	T	95.4	Very high	96	Very high	15 Å²	15	45.9 Å²	45.9	9%	0.092	24%	0.236	C	C	.	.	H	α-helix	trans	-64.5	-41.3	176.8	-58	0	0	0	0	110.2	D460 D463 N466 R471 K472 T473	D460-T469 HydrophobicContact CB-CG2 3.43Å; D460-T469 VanDerWaalsContact CB-CG2 3.43Å; D463-T469 PolarHBondContact OD2-OG1 3.4Å; N466-T469 PolarHBondContact ND2-OG1 3.3Å; N466-T469 PolarHBondContact O-N 2.95Å; N466-T469 PolarHBondContact OD1-N 3.3Å; T469-R471 PolarHBondContact O-N 3.16Å; T469-K472 PolarHBondContact O-N 3.49Å; T469-T473 WeakPolarHBondContact O-CG2 3.35Å; T469-T473 PolarHBondContact O-N 3.09Å; T469-T473 PolarHBondContact O-OG1 2.91Å
470	R	96.2	Very high	96	Very high	47 Å²	47	44.5 Å²	44.5	18%	0.177	23%	0.228	C	C	.	.	H	α-helix	trans	-60	-41.5	172.2	-78.8	177.5	-79.9	144.5	-5.9	113	V424 S425 F429 D465 N466 P467 E468 T473 L474	V424-R470 PolarHBondContact O-NH1 2.95Å; S425-R470 VanDerWaalsContact CA-NH1 3.27Å; S425-R470 PolarHBondContact O-NH1 3.09Å; F429-R470 HydrophobicContact CD2-CB 4.24Å; F429-R470 HydrophobicContact CD2-CG 4.33Å; D465-R470 PolarHBondContact O-NH2 2.97Å; N466-R470 PolarHBondContact O-N 3.18Å; N466-R470 PolarHBondContact O-NE 3.14Å; P467-R470 PolarHBondContact O-N 3.15Å; E468-R470 VanDerWaalsContact C-N 3.33Å; R470-T473 PolarHBondContact O-N 3.41Å; R470-T473 PolarHBondContact O-OG1 3.49Å; R470-T473 VanDerWaalsContact O-OG1 3.13Å; R470-L474 WeakPolarHBondContact O-CG 3.47Å; R470-L474 PolarHBondContact O-N 3.01Å
471	R	96.7	Very high	96.1	Very high	6 Å²	6	43.5 Å²	43.5	2%	0.023	22%	0.221	C	C	.	.	H	α-helix	trans	-57.7	-50.6	172.5	-174.9	-163.7	70.5	-144.3	1.8	111.2	V414 V418 D422 V424 P467 E468 T469 T473 L474 V475 W518	V414-R471 HydrophobicContact CG2-CG 4.26Å; V418-R471 HydrophobicContact CG2-CG 3.77Å; D422-R471 WeakPolarHBondContact O-CD 3.42Å; D422-R471 PolarHBondContact O-NH1 2.87Å; V424-R471 HydrophobicContact CB-CB 4.36Å; V424-R471 HydrophobicContact CG2-CB 3.72Å; V424-R471 HydrophobicContact CG2-CG 3.93Å; P467-R471 PolarHBondContact O-N 3.19Å; E468-R471 WeakPolarHBondContact O-CB 3.19Å; E468-R471 PolarHBondContact O-N 2.83Å; T469-R471 PolarHBondContact O-N 3.16Å; R471-T473 VanDerWaalsContact C-N 3.32Å; R471-T473 PolarHBondContact O-N 2.94Å; R471-L474 PolarHBondContact O-N 3.17Å; R471-V475 PolarHBondContact O-N 3.26Å; R471-V475 VanDerWaalsContact O-N 3.08Å; R471-W518 HydrophobicContact CG-CH2 4.47Å; R471-W518 VanDerWaalsContact CZ-CE3 3.4Å; R471-W518 VanDerWaalsContact CZ-CG 3.45Å; R471-W518 VanDerWaalsContact NH1-CG 3.29Å
472	K	95.9	Very high	96.1	Very high	49 Å²	49	36.9 Å²	36.9	21%	0.213	20%	0.196	C	C	.	.	H	α-helix	trans	-60.3	-40.9	-179.2	-70.6	173.7	-174.7	171.5	0	111.9	E468 T469 V475 A476 P804	E468-K472 WeakPolarHBondContact O-CG 3.33Å; E468-K472 PolarHBondContact O-N 3.21Å; T469-K472 PolarHBondContact O-N 3.49Å; K472-V475 PolarHBondContact O-N 2.83Å; K472-A476 WeakPolarHBondContact O-CB 3.46Å; K472-A476 PolarHBondContact O-N 3.43Å; K472-P804 HydrophobicContact CB-CB 4.31Å; K472-P804 HydrophobicContact CB-CG 4.17Å; K472-P804 HydrophobicContact CD-CB 3.76Å; K472-P804 HydrophobicContact CD-CG 4.32Å
473	T	96.8	Very high	96.2	Very high	15 Å²	15	32.9 Å²	32.9	9%	0.092	16%	0.163	C	C	.	.	H	α-helix	trans	-72.9	-29	179.7	60.5	0	0	0	0	113.2	Y458 T469 R470 R471 A476 L477	Y458-T473 WeakPolarHBondContact CD1-O 3.49Å; Y458-T473 WeakPolarHBondContact O-CB 3.36Å; Y458-T473 WeakPolarHBondContact O-CG2 3.27Å; Y458-T473 PolarHBondContact O-OG1 3.13Å; T469-T473 WeakPolarHBondContact O-CG2 3.35Å; T469-T473 PolarHBondContact O-N 3.09Å; T469-T473 PolarHBondContact O-OG1 2.91Å; R470-T473 PolarHBondContact O-N 3.41Å; R470-T473 PolarHBondContact O-OG1 3.49Å; R470-T473 VanDerWaalsContact O-OG1 3.13Å; R471-T473 VanDerWaalsContact C-N 3.32Å; R471-T473 PolarHBondContact O-N 2.94Å; T473-A476 PolarHBondContact O-N 3.29Å; T473-L477 WeakPolarHBondContact O-CB 3.2Å; T473-L477 PolarHBondContact O-N 3.27Å
474	L	96.7	Very high	96.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-68.3	-43.3	170.2	-73.1	172.6	0	0	0	112.8	F413 V414 V424 F429 V433 R470 R471 A476 L477 F478	F413-L474 HydrophobicContact CE1-CB 4.36Å; F413-L474 HydrophobicContact CE1-CD2 4.35Å; V414-L474 HydrophobicContact CG1-CB 3.55Å; V414-L474 HydrophobicContact CG1-CD1 4.38Å; V424-L474 HydrophobicContact CB-CD1 4.26Å; V424-L474 HydrophobicContact CG1-CD1 3.64Å; V424-L474 HydrophobicContact CG2-CD1 4.28Å; F429-L474 HydrophobicContact CB-CD1 4.38Å; F429-L474 HydrophobicContact CD2-CD1 3.9Å; F429-L474 HydrophobicContact CD2-CD2 3.51Å; F429-L474 HydrophobicContact CD2-CG 3.47Å; F429-L474 VanDerWaalsContact CD2-CG 3.47Å; F429-L474 HydrophobicContact CE2-CD2 3.68Å; F429-L474 HydrophobicContact CE2-CG 3.83Å; F429-L474 HydrophobicContact CG-CD2 4.21Å; F429-L474 HydrophobicContact CG-CG 4.43Å; V433-L474 HydrophobicContact CG2-CD2 3.91Å; R470-L474 WeakPolarHBondContact O-CG 3.47Å; R470-L474 PolarHBondContact O-N 3.01Å; R471-L474 PolarHBondContact O-N 3.17Å; L474-A476 VanDerWaalsContact C-N 3.26Å; L474-A476 PolarHBondContact O-N 3.36Å; L474-L477 PolarHBondContact O-N 2.9Å; L474-F478 PolarHBondContact O-N 3.08Å
475	V	97	Very high	96.6	Very high	15 Å²	15	25.2 Å²	25.2	9%	0.091	13%	0.13	C	C	.	.	H	α-helix	trans	-57.9	-46.3	172.5	174.1	0	0	0	0	109.4	V414 R471 K472 L477 F478 T479	V414-V475 HydrophobicContact CB-CG2 4.28Å; V414-V475 HydrophobicContact CG1-CG2 3.77Å; V414-V475 HydrophobicContact CG2-CG2 3.48Å; V414-V475 VanDerWaalsContact CG2-CG2 3.48Å; R471-V475 PolarHBondContact O-N 3.26Å; R471-V475 VanDerWaalsContact O-N 3.08Å; K472-V475 PolarHBondContact O-N 2.83Å; V475-L477 PolarHBondContact O-N 2.59Å; V475-F478 PolarHBondContact O-N 2.76Å; V475-T479 VanDerWaalsContact O-CB 3.26Å; V475-T479 WeakPolarHBondContact O-CB 3.31Å; V475-T479 PolarHBondContact O-N 2.78Å; V475-T479 PolarHBondContact O-OG1 3.32Å
476	A	97.4	Very high	96.9	Very high	18 Å²	18	20.1 Å²	20.1	15%	0.149	10%	0.103	C	C	.	.	H	α-helix	trans	-61.2	-43	177.5	0	0	0	0	0	112.7	Y458 K472 T473 L474 F478 T479 D480	Y458-A476 HydrophobicContact CE1-CB 4.25Å; K472-A476 WeakPolarHBondContact O-CB 3.46Å; K472-A476 PolarHBondContact O-N 3.43Å; T473-A476 PolarHBondContact O-N 3.29Å; L474-A476 VanDerWaalsContact C-N 3.26Å; L474-A476 PolarHBondContact O-N 3.36Å; A476-F478 VanDerWaalsContact C-N 3.34Å; A476-F478 PolarHBondContact O-N 2.57Å; A476-T479 PolarHBondContact O-N 3.23Å; A476-D480 WeakPolarHBondContact O-CB 3.22Å; A476-D480 PolarHBondContact O-N 3.01Å
477	L	97.6	Very high	97	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-55.7	-49.1	177.4	173.8	150.8	0	0	0	111.9	F413 V433 F436 I454 Y458 T473 L474 V475 H481 W624	F413-L477 HydrophobicContact CE1-CD2 4.26Å; F413-L477 HydrophobicContact CZ-CD2 4.47Å; V433-L477 HydrophobicContact CG1-CD1 4.47Å; V433-L477 HydrophobicContact CG2-CD1 3.91Å; F436-L477 HydrophobicContact CD1-CD2 3.82Å; F436-L477 HydrophobicContact CD2-CD2 3.98Å; F436-L477 HydrophobicContact CE1-CD2 3.93Å; F436-L477 HydrophobicContact CE2-CD2 4.06Å; F436-L477 HydrophobicContact CG-CD2 3.84Å; F436-L477 HydrophobicContact CZ-CD2 4.03Å; I454-L477 HydrophobicContact CG2-CD1 3.45Å; I454-L477 VanDerWaalsContact CG2-CD1 3.45Å; I454-L477 HydrophobicContact CG2-CG 4.5Å; Y458-L477 HydrophobicContact CD1-CB 3.66Å; Y458-L477 HydrophobicContact CD2-CB 4.2Å; Y458-L477 HydrophobicContact CD2-CD1 3.84Å; Y458-L477 HydrophobicContact CD2-CG 4.24Å; Y458-L477 HydrophobicContact CE1-CB 3.75Å; Y458-L477 HydrophobicContact CE2-CB 4.26Å; Y458-L477 HydrophobicContact CE2-CD1 4.33Å; Y458-L477 HydrophobicContact CE2-CG 4.28Å; Y458-L477 HydrophobicContact CG-CB 3.9Å; Y458-L477 HydrophobicContact CG-CD1 3.98Å; Y458-L477 HydrophobicContact CG-CG 4.37Å; T473-L477 WeakPolarHBondContact O-CB 3.2Å; T473-L477 PolarHBondContact O-N 3.27Å; L474-L477 PolarHBondContact O-N 2.9Å; V475-L477 PolarHBondContact O-N 2.59Å; L477-H481 PolarHBondContact O-N 3.46Å; L477-W624 HydrophobicContact CG-CZ2 4.39Å
478	F	96.9	Very high	97	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-71.7	-39.7	-178.8	-162.3	-108.8	0	0	0	111.5	V117 W321 Y370 F413 F436 L474 V475 A476 D480 Q482 W483	V117-F478 HydrophobicContact CB-CE1 4.11Å; V117-F478 HydrophobicContact CB-CZ 4.26Å; V117-F478 HydrophobicContact CG2-CZ 4.41Å; W321-F478 HydrophobicContact CH2-CE1 4.23Å; W321-F478 HydrophobicContact CH2-CZ 4.32Å; W321-F478 HydrophobicContact CZ3-CE1 4.27Å; W321-F478 AromaticContact CZ3-CZ 3.94Å; W321-F478 HydrophobicContact CZ3-CZ 3.94Å; Y370-F478 AromaticContact CD1-CE2 3.6Å; Y370-F478 HydrophobicContact CD1-CE2 3.6Å; Y370-F478 AromaticContact CD1-CZ 3.56Å; Y370-F478 HydrophobicContact CD1-CZ 3.56Å; Y370-F478 HydrophobicContact CE1-CD2 4.44Å; Y370-F478 AromaticContact CE1-CE2 3.28Å; Y370-F478 HydrophobicContact CE1-CE2 3.28Å; Y370-F478 AromaticContact CE1-CZ 3.45Å; Y370-F478 HydrophobicContact CE1-CZ 3.45Å; Y370-F478 VanDerWaalsContact CE1-CZ 3.45Å; Y370-F478 HydrophobicContact CG-CE2 4.33Å; Y370-F478 AromaticContact CZ-CE2 3.79Å; F413-F478 HydrophobicContact CB-CB 3.9Å; F413-F478 HydrophobicContact CB-CD1 3.62Å; F413-F478 HydrophobicContact CB-CD2 4.31Å; F413-F478 HydrophobicContact CB-CE1 4.23Å; F413-F478 HydrophobicContact CB-CG 3.68Å; F413-F478 HydrophobicContact CD1-CB 3.56Å; F413-F478 HydrophobicContact CD1-CD2 4.31Å; F413-F478 AromaticContact CD1-CG 4Å; F413-F478 HydrophobicContact CD1-CG 4Å; F413-F478 HydrophobicContact CD2-CB 4.36Å; F413-F478 HydrophobicContact CD2-CD1 4.41Å; F413-F478 AromaticContact CD2-CD2 3.64Å; F413-F478 HydrophobicContact CD2-CD2 3.64Å; F413-F478 HydrophobicContact CD2-CE2 4Å; F413-F478 AromaticContact CD2-CG 3.89Å; F413-F478 HydrophobicContact CD2-CG 3.89Å; F413-F478 HydrophobicContact CE1-CB 4.14Å; F413-F478 AromaticContact CE2-CD2 3.98Å; F413-F478 HydrophobicContact CE2-CD2 3.98Å; F413-F478 HydrophobicContact CE2-CE2 4.4Å; F413-F478 HydrophobicContact CG-CB 3.68Å; F413-F478 HydrophobicContact CG-CD1 4.05Å; F413-F478 AromaticContact CG-CD2 3.83Å; F413-F478 HydrophobicContact CG-CD2 3.83Å; F413-F478 AromaticContact CG-CG 3.58Å; F413-F478 HydrophobicContact CG-CG 3.58Å; F413-F478 HydrophobicContact CZ-CD2 4.42Å; F436-F478 AromaticContact CD2-CD2 3.75Å; F436-F478 HydrophobicContact CD2-CD2 3.75Å; F436-F478 HydrophobicContact CD2-CE2 4.06Å; F436-F478 AromaticContact CE2-CD2 3.57Å; F436-F478 HydrophobicContact CE2-CD2 3.57Å; F436-F478 AromaticContact CE2-CE2 3.92Å; F436-F478 HydrophobicContact CE2-CE2 3.92Å; L474-F478 PolarHBondContact O-N 3.08Å; V475-F478 PolarHBondContact O-N 2.76Å; A476-F478 VanDerWaalsContact C-N 3.34Å; A476-F478 PolarHBondContact O-N 2.57Å; F478-D480 VanDerWaalsContact C-N 3.35Å; F478-D480 PolarHBondContact O-N 3.3Å; F478-Q482 HydrophobicContact CD1-CG 4.36Å; F478-Q482 HydrophobicContact CD2-CG 4.08Å; F478-Q482 HydrophobicContact CE1-CG 4.08Å; F478-Q482 HydrophobicContact CE2-CG 3.75Å; F478-Q482 HydrophobicContact CG-CG 4.36Å; F478-Q482 HydrophobicContact CZ-CG 3.76Å; F478-Q482 VanDerWaalsContact O-CB 3.32Å; F478-Q482 WeakPolarHBondContact O-CB 3.45Å; F478-Q482 WeakPolarHBondContact O-CG 3.49Å; F478-Q482 PolarHBondContact O-N 2.79Å; F478-Q482 VanDerWaalsContact O-N 3.09Å; F478-W483 HydrophobicContact CD1-CH2 4.04Å; F478-W483 AromaticContact CD1-CZ3 3.6Å; F478-W483 HydrophobicContact CD1-CZ3 3.6Å; F478-W483 AromaticContact CE1-CH2 3.8Å; F478-W483 HydrophobicContact CE1-CH2 3.8Å; F478-W483 AromaticContact CE1-CZ3 3.76Å; F478-W483 HydrophobicContact CE1-CZ3 3.76Å
479	T	98	Very high	97.1	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.006	6%	0.061	C	C	.	.	H	α-helix	trans	-59.3	-45.9	175.3	-59	0	0	0	0	111.5	E409 G410 V475 A476 W483 V484	E409-T479 HydrophobicContact CB-CG2 3.88Å; E409-T479 HydrophobicContact CG-CG2 3.84Å; E409-T479 PolarHBondContact N-OG1 3.17Å; G410-T479 PolarHBondContact N-OG1 2.94Å; V475-T479 VanDerWaalsContact O-CB 3.26Å; V475-T479 WeakPolarHBondContact O-CB 3.31Å; V475-T479 PolarHBondContact O-N 2.78Å; V475-T479 PolarHBondContact O-OG1 3.32Å; A476-T479 PolarHBondContact O-N 3.23Å; T479-W483 PolarHBondContact O-N 2.77Å; T479-W483 VanDerWaalsContact O-N 3.08Å; T479-V484 HydrophobicContact CG2-CG2 3.88Å; T479-V484 PolarHBondContact O-N 3.04Å; T479-V484 VanDerWaalsContact O-N 3.08Å
480	D	98	Very high	97.1	Very high	2 Å²	2	11.4 Å²	11.4	1%	0.011	6%	0.057	C	C	.	.	I	π-helix	trans	-64.5	-49.1	-175.7	-71	-16.2	0	0	0	112	Y458 A476 F478 V484 E485 R617 K620	Y458-D480 WeakPolarHBondContact CE1-OD2 3.31Å; Y458-D480 WeakPolarHBondContact OH-CB 3.35Å; Y458-D480 VanDerWaalsContact OH-CG 3.29Å; Y458-D480 PolarHBondContact OH-OD2 3.29Å; A476-D480 WeakPolarHBondContact O-CB 3.22Å; A476-D480 PolarHBondContact O-N 3.01Å; F478-D480 VanDerWaalsContact C-N 3.35Å; F478-D480 PolarHBondContact O-N 3.3Å; D480-V484 PolarHBondContact O-N 3.05Å; D480-E485 WeakPolarHBondContact O-CB 3.48Å; D480-E485 PolarHBondContact O-N 3.21Å; D480-R617 VanDerWaalsContact CG-NH2 3.3Å; D480-R617 IonicContact OD1-CZ 3.05Å; D480-R617 VanDerWaalsContact OD1-CZ 3.23Å; D480-R617 IonicContact OD1-NE 2.64Å; D480-R617 PolarHBondContact OD1-NE 3.45Å; D480-R617 IonicContact OD1-NH2 2.64Å; D480-R617 PolarHBondContact OD1-NH2 3.4Å; D480-R617 IonicContact OD2-CZ 2.77Å; D480-R617 IonicContact OD2-NE 3.23Å; D480-R617 IonicContact OD2-NH2 3.69Å; D480-R617 PolarHBondContact OD2-NH2 2.95Å; D480-K620 WeakPolarHBondContact OD2-CB 3.24Å
481	H	97	Very high	97.2	Very high	28 Å²	28	9.2 Å²	9.2	13%	0.13	5%	0.048	C	C	.	.	I	π-helix	trans	-72.9	-41.3	-176.1	-172.9	-77.7	0	0	0	112.6	F436 Y441 L477 P486 W624	F436-H481 HydrophobicContact CE2-CB 4.45Å; F436-H481 HydrophobicContact CZ-CB 3.67Å; F436-H481 AromaticContact CZ-CD2 3.82Å; F436-H481 AromaticContact CZ-CG 3.55Å; F436-H481 AromaticContact CZ-ND1 3.93Å; Y441-H481 AromaticContact CE2-NE2 3.71Å; Y441-H481 AromaticContact CZ-NE2 3.52Å; Y441-H481 PolarHBondContact OH-CD2 3.02Å; Y441-H481 PolarHBondContact OH-NE2 3.4Å; L477-H481 PolarHBondContact O-N 3.46Å; H481-P486 VanDerWaalsContact O-CD 3.31Å; H481-P486 WeakPolarHBondContact O-CD 3.26Å; H481-P486 WeakPolarHBondContact O-CG 3.39Å; H481-W624 HydrophobicContact CB-CD2 4.47Å; H481-W624 HydrophobicContact CB-CZ2 4.27Å; H481-W624 AromaticContact CD2-CD2 3.84Å; H481-W624 AromaticContact CD2-CE3 3.47Å; H481-W624 VanDerWaalsContact CD2-CE3 3.47Å; H481-W624 AromaticContact CD2-CH2 3.95Å; H481-W624 AromaticContact CD2-CZ3 3.54Å
482	Q	96	Very high	97.1	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.049	C	C	.	.	I	π-helix	trans	-87.7	-25.2	-170.7	-64	-57.8	111.9	0	0	113.9	S319 S320 W321 F478	S319-Q482 PolarHBondContact OG-O 2.91Å; S320-Q482 PolarHBondContact OG-NE2 2.93Å; W321-Q482 HydrophobicContact CH2-CB 3.36Å; W321-Q482 HydrophobicContact CH2-CG 3.6Å; W321-Q482 HydrophobicContact CZ2-CB 3.62Å; W321-Q482 HydrophobicContact CZ2-CG 4.28Å; W321-Q482 HydrophobicContact CZ3-CB 4.06Å; W321-Q482 HydrophobicContact CZ3-CG 3.8Å; F478-Q482 HydrophobicContact CD1-CG 4.36Å; F478-Q482 HydrophobicContact CD2-CG 4.08Å; F478-Q482 HydrophobicContact CE1-CG 4.08Å; F478-Q482 HydrophobicContact CE2-CG 3.75Å; F478-Q482 HydrophobicContact CG-CG 4.36Å; F478-Q482 HydrophobicContact CZ-CG 3.76Å; F478-Q482 VanDerWaalsContact O-CB 3.32Å; F478-Q482 WeakPolarHBondContact O-CB 3.45Å; F478-Q482 WeakPolarHBondContact O-CG 3.49Å; F478-Q482 PolarHBondContact O-N 2.79Å; F478-Q482 VanDerWaalsContact O-N 3.09Å
483	W	98	Very high	97.1	Very high	2 Å²	2	7.3 Å²	7.3	1%	0.008	4%	0.041	C	C	.	.	I	π-helix	trans	-127	-54.5	-176.5	-65.8	-89	0	0	0	113.6	S314 W321 V405 E409 F478 T479 S487 H523	S314-W483 PolarHBondContact O-NE1 2.77Å; W321-W483 HydrophobicContact CH2-CD2 4.39Å; W321-W483 AromaticContact CH2-CE2 3.94Å; W321-W483 HydrophobicContact CH2-CE3 4.35Å; W321-W483 AromaticContact CH2-CH2 3.51Å; W321-W483 HydrophobicContact CH2-CH2 3.51Å; W321-W483 AromaticContact CH2-CZ2 3.49Å; W321-W483 HydrophobicContact CH2-CZ2 3.49Å; W321-W483 VanDerWaalsContact CH2-CZ2 3.49Å; W321-W483 AromaticContact CH2-CZ3 3.95Å; W321-W483 HydrophobicContact CH2-CZ3 3.95Å; W321-W483 HydrophobicContact CZ2-CD2 4.11Å; W321-W483 AromaticContact CZ2-CE2 3.59Å; W321-W483 HydrophobicContact CZ2-CE3 4.48Å; W321-W483 HydrophobicContact CZ2-CH2 4.06Å; W321-W483 AromaticContact CZ2-CZ2 3.58Å; W321-W483 HydrophobicContact CZ2-CZ2 3.58Å; W321-W483 HydrophobicContact CZ2-CZ3 4.47Å; W321-W483 AromaticContact CZ2-NE1 3.94Å; V405-W483 HydrophobicContact CG1-CB 4.11Å; E409-W483 HydrophobicContact CB-CD2 3.42Å; E409-W483 VanDerWaalsContact CB-CD2 3.42Å; E409-W483 HydrophobicContact CB-CE3 3.36Å; E409-W483 HydrophobicContact CB-CG 3.97Å; E409-W483 HydrophobicContact CB-CH2 3.99Å; E409-W483 HydrophobicContact CB-CZ2 4.07Å; E409-W483 HydrophobicContact CB-CZ3 3.66Å; E409-W483 HydrophobicContact CG-CB 3.93Å; E409-W483 HydrophobicContact CG-CD2 3.77Å; E409-W483 HydrophobicContact CG-CE3 4.08Å; E409-W483 HydrophobicContact CG-CG 3.73Å; F478-W483 HydrophobicContact CD1-CH2 4.04Å; F478-W483 AromaticContact CD1-CZ3 3.6Å; F478-W483 HydrophobicContact CD1-CZ3 3.6Å; F478-W483 AromaticContact CE1-CH2 3.8Å; F478-W483 HydrophobicContact CE1-CH2 3.8Å; F478-W483 AromaticContact CE1-CZ3 3.76Å; F478-W483 HydrophobicContact CE1-CZ3 3.76Å; T479-W483 PolarHBondContact O-N 2.77Å; T479-W483 VanDerWaalsContact O-N 3.08Å; W483-S487 VanDerWaalsContact O-CB 3.28Å; W483-S487 WeakPolarHBondContact O-CB 3.36Å; W483-S487 PolarHBondContact O-N 3.07Å; W483-S487 PolarHBondContact O-OG 3.29Å; W483-S487 VanDerWaalsContact O-OG 3.05Å; W483-H523 AromaticContact CE2-ND1 3.9Å; W483-H523 HydrophobicContact CZ2-CB 4.45Å; W483-H523 AromaticContact NE1-CE1 3.41Å; W483-H523 PolarHBondContact NE1-CE1 3.24Å; W483-H523 AromaticContact NE1-ND1 3.47Å; W483-H523 PolarHBondContact NE1-ND1 3.02Å
484	V	98.2	Very high	97.1	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.037	C	C	.	.	I	π-helix	trans	-65	-52.8	-170	-175.2	0	0	0	0	111.8	V405 T479 D480 S487 V488 Y616 V621	V405-V484 HydrophobicContact CG2-CG2 4.21Å; T479-V484 HydrophobicContact CG2-CG2 3.88Å; T479-V484 PolarHBondContact O-N 3.04Å; T479-V484 VanDerWaalsContact O-N 3.08Å; D480-V484 PolarHBondContact O-N 3.05Å; V484-S487 PolarHBondContact O-N 3.1Å; V484-V488 HydrophobicContact CG1-CG2 4.29Å; V484-V488 WeakPolarHBondContact O-CB 3.24Å; V484-V488 VanDerWaalsContact O-CG2 3.3Å; V484-V488 WeakPolarHBondContact O-CG2 3.35Å; V484-V488 PolarHBondContact O-N 3.05Å; V484-Y616 HydrophobicContact CG1-CD1 3.82Å; V484-Y616 HydrophobicContact CG1-CE1 3.74Å; V484-Y616 HydrophobicContact CG2-CE1 4.1Å; V484-V621 HydrophobicContact CG1-CG2 3.83Å
485	E	97.5	Very high	97	Very high	39 Å²	39	7.2 Å²	7.2	18%	0.182	4%	0.041	C	C	.	.	H	α-helix	trans	-62.3	-49.7	-178.6	-176.3	-82.5	169.1	0	0	111.6	D480 S487 V488 V489 V621 W624 K625	D480-E485 WeakPolarHBondContact O-CB 3.48Å; D480-E485 PolarHBondContact O-N 3.21Å; E485-S487 VanDerWaalsContact C-N 3.33Å; E485-S487 PolarHBondContact O-N 2.64Å; E485-V488 PolarHBondContact O-N 2.83Å; E485-V488 VanDerWaalsContact O-N 3.15Å; E485-V489 HydrophobicContact CG-CG2 4.41Å; E485-V489 WeakPolarHBondContact O-CG2 3.44Å; E485-V489 PolarHBondContact O-N 3.25Å; E485-V489 VanDerWaalsContact OE1-CG2 3.23Å; E485-V489 WeakPolarHBondContact OE1-CG2 3.42Å; E485-V621 HydrophobicContact CG-CG1 4.43Å; E485-W624 HydrophobicContact CB-CB 4.18Å; E485-W624 HydrophobicContact CG-CB 3.77Å; E485-K625 HydrophobicContact CG-CB 4.42Å
486	P	97.5	Very high	96.8	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.013	7%	0.065	C	C	.	.	H	α-helix	trans	-57	-43.2	176.1	-31.1	38.5	0	0	0	113	L318 H481 V489 T490	L318-P486 HydrophobicContact CB-CB 4.12Å; H481-P486 VanDerWaalsContact O-CD 3.31Å; H481-P486 WeakPolarHBondContact O-CD 3.26Å; H481-P486 WeakPolarHBondContact O-CG 3.39Å; P486-V489 PolarHBondContact O-N 2.92Å; P486-T490 WeakPolarHBondContact O-CB 3.36Å; P486-T490 PolarHBondContact O-N 2.81Å; P486-T490 PolarHBondContact O-OG1 3.08Å
487	S	97.7	Very high	96.3	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-67.7	-38.4	178.4	-66.9	0	0	0	0	112.7	L403 V405 W483 V484 E485 A491	L403-S487 VanDerWaalsContact CD1-O 3.25Å; L403-S487 WeakPolarHBondContact CD1-O 3.38Å; V405-S487 WeakPolarHBondContact CG1-OG 3.4Å; W483-S487 VanDerWaalsContact O-CB 3.28Å; W483-S487 WeakPolarHBondContact O-CB 3.36Å; W483-S487 PolarHBondContact O-N 3.07Å; W483-S487 PolarHBondContact O-OG 3.29Å; W483-S487 VanDerWaalsContact O-OG 3.05Å; V484-S487 PolarHBondContact O-N 3.1Å; E485-S487 VanDerWaalsContact C-N 3.33Å; E485-S487 PolarHBondContact O-N 2.64Å; S487-A491 WeakPolarHBondContact O-CB 3.35Å; S487-A491 PolarHBondContact O-N 3.15Å
488	V	97.6	Very high	95.9	Very high	5 Å²	5	21.1 Å²	21.1	3%	0.03	11%	0.11	C	C	.	.	H	α-helix	trans	-69.5	-40.2	176.8	173.2	0	0	0	0	111.1	V484 E485 A491 D492 F503 V621	V484-V488 HydrophobicContact CG1-CG2 4.29Å; V484-V488 WeakPolarHBondContact O-CB 3.24Å; V484-V488 VanDerWaalsContact O-CG2 3.3Å; V484-V488 WeakPolarHBondContact O-CG2 3.35Å; V484-V488 PolarHBondContact O-N 3.05Å; E485-V488 PolarHBondContact O-N 2.83Å; E485-V488 VanDerWaalsContact O-N 3.15Å; V488-A491 PolarHBondContact O-N 3.38Å; V488-D492 WeakPolarHBondContact O-CB 3.43Å; V488-D492 PolarHBondContact O-N 2.85Å; V488-F503 HydrophobicContact CG2-CE2 4.15Å; V488-F503 HydrophobicContact CG2-CZ 3.83Å; V488-V621 HydrophobicContact CB-CG1 4.08Å; V488-V621 HydrophobicContact CG1-CG1 3.82Å; V488-V621 HydrophobicContact CG2-CG2 4.25Å
489	V	96.3	Very high	95.7	Very high	10 Å²	10	21.8 Å²	21.8	6%	0.061	12%	0.115	C	C	.	.	H	α-helix	trans	-62.3	-45.3	174.5	174.1	0	0	0	0	111.1	L318 E485 P486 A491 D492 L493 K625	L318-V489 HydrophobicContact CD1-CB 4.02Å; L318-V489 HydrophobicContact CD1-CG1 3.62Å; E485-V489 HydrophobicContact CG-CG2 4.41Å; E485-V489 WeakPolarHBondContact O-CG2 3.44Å; E485-V489 PolarHBondContact O-N 3.25Å; E485-V489 VanDerWaalsContact OE1-CG2 3.23Å; E485-V489 WeakPolarHBondContact OE1-CG2 3.42Å; P486-V489 PolarHBondContact O-N 2.92Å; V489-A491 VanDerWaalsContact C-N 3.32Å; V489-A491 PolarHBondContact O-N 2.98Å; V489-D492 PolarHBondContact O-N 3.49Å; V489-L493 HydrophobicContact CG1-CD1 3.84Å; V489-L493 HydrophobicContact CG1-CG 4.35Å; V489-L493 WeakPolarHBondContact O-CB 3.29Å; V489-L493 WeakPolarHBondContact O-CG 3.34Å; V489-L493 PolarHBondContact O-N 2.89Å; V489-K625 HydrophobicContact CG2-CD 3.98Å; V489-K625 HydrophobicContact CG2-CG 4.19Å
490	T	96.9	Very high	95.6	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.006	13%	0.126	C	C	.	.	H	α-helix	trans	-58.1	-43.5	173.6	-58.9	0	0	0	0	111.7	S316 M391 F396 L403 P486 H494	S316-T490 PolarHBondContact OG-OG1 2.97Å; M391-T490 HydrophobicContact CE-CG2 3.97Å; M391-T490 HydrophobicContact SD-CG2 4.06Å; F396-T490 HydrophobicContact CE2-CG2 4.29Å; L403-T490 HydrophobicContact CD1-CG2 4.03Å; P486-T490 WeakPolarHBondContact O-CB 3.36Å; P486-T490 PolarHBondContact O-N 2.81Å; P486-T490 PolarHBondContact O-OG1 3.08Å; T490-H494 WeakPolarHBondContact O-CB 3.27Å; T490-H494 PolarHBondContact O-N 3.05Å
491	A	97.1	Very high	95.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-64.9	-44.3	177.8	0	0	0	0	0	112.5	L403 S487 V488 V489 A495 T501 F503 Y596	L403-A491 HydrophobicContact CD1-CB 4.01Å; L403-A491 HydrophobicContact CD2-CB 3.98Å; L403-A491 HydrophobicContact CG-CB 4.34Å; S487-A491 WeakPolarHBondContact O-CB 3.35Å; S487-A491 PolarHBondContact O-N 3.15Å; V488-A491 PolarHBondContact O-N 3.38Å; V489-A491 VanDerWaalsContact C-N 3.32Å; V489-A491 PolarHBondContact O-N 2.98Å; A491-A495 WeakPolarHBondContact O-CB 3.44Å; A491-A495 PolarHBondContact O-N 3.48Å; A491-T501 HydrophobicContact CB-CG2 4.29Å; A491-F503 HydrophobicContact CB-CD2 3.8Å; A491-F503 HydrophobicContact CB-CE2 4.18Å; A491-Y596 HydrophobicContact CB-CD1 3.86Å; A491-Y596 HydrophobicContact CB-CE1 3.54Å; A491-Y596 HydrophobicContact CB-CE2 4.47Å; A491-Y596 HydrophobicContact CB-CG 4.46Å
492	D	96	Very high	95.7	Very high	7 Å²	7	22.3 Å²	22.3	4%	0.037	12%	0.12	C	C	.	.	H	α-helix	trans	-60.8	-48.1	178	-86.9	-21.1	0	0	0	111.1	V488 V489 R496 Y596 P598 Q601 K625	V488-D492 WeakPolarHBondContact O-CB 3.43Å; V488-D492 PolarHBondContact O-N 2.85Å; V489-D492 PolarHBondContact O-N 3.49Å; D492-R496 VanDerWaalsContact O-CB 3.27Å; D492-R496 WeakPolarHBondContact O-CB 3.18Å; D492-R496 PolarHBondContact O-N 2.94Å; D492-Y596 PolarHBondContact OD1-OH 3.27Å; D492-P598 WeakPolarHBondContact O-CG 3.19Å; D492-Q601 PolarHBondContact OD1-NE2 2.99Å; D492-K625 IonicContact OD2-NZ 2.82Å; D492-K625 PolarHBondContact OD2-NZ 2.98Å
493	L	95.2	Very high	95.9	Very high	8 Å²	8	22.4 Å²	22.4	4%	0.042	12%	0.12	C	C	.	.	H	α-helix	trans	-64.9	-47.1	-179.5	-71.4	172.5	0	0	0	110.9	M391 E392 F396 V489 A495 R496 Y497	M391-L493 HydrophobicContact CB-CB 4.3Å; M391-L493 HydrophobicContact CB-CD1 3.6Å; M391-L493 HydrophobicContact SD-CD1 4.28Å; E392-L493 HydrophobicContact CG-CD1 4.46Å; E392-L493 HydrophobicContact CG-CD2 4.06Å; F396-L493 HydrophobicContact CZ-CB 3.9Å; V489-L493 HydrophobicContact CG1-CD1 3.84Å; V489-L493 HydrophobicContact CG1-CG 4.35Å; V489-L493 WeakPolarHBondContact O-CB 3.29Å; V489-L493 WeakPolarHBondContact O-CG 3.34Å; V489-L493 PolarHBondContact O-N 2.89Å; L493-A495 PolarHBondContact O-N 2.98Å; L493-R496 PolarHBondContact O-N 3.47Å; L493-Y497 WeakPolarHBondContact O-CD2 3.47Å
494	H	96.1	Very high	95.9	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-63.5	-45.1	179.3	-173.2	-104	0	0	0	112.3	F396 Y399 I401 T490 R496 S499 T501	F396-H494 AromaticContact CD2-CD2 3.99Å; F396-H494 HydrophobicContact CE1-CB 4.42Å; F396-H494 HydrophobicContact CE2-CB 3.82Å; F396-H494 HydrophobicContact CZ-CB 3.77Å; F396-H494 PolarHBondContact O-NE2 3.03Å; Y399-H494 PolarHBondContact O-CE1 3.18Å; Y399-H494 PolarHBondContact O-NE2 2.88Å; I401-H494 WeakPolarHBondContact CD1-CD2 3.39Å; I401-H494 WeakPolarHBondContact CD1-NE2 3.26Å; I401-H494 VanDerWaalsContact CG1-CE1 3.47Å; I401-H494 WeakPolarHBondContact CG1-CE1 3.07Å; I401-H494 WeakPolarHBondContact CG1-NE2 3.3Å; T490-H494 WeakPolarHBondContact O-CB 3.27Å; T490-H494 PolarHBondContact O-N 3.05Å; H494-R496 PolarHBondContact O-N 3.17Å; H494-S499 WeakPolarHBondContact CE1-CB 3.4Å; H494-S499 WeakPolarHBondContact NE2-CB 3.12Å; H494-T501 PolarHBondContact ND1-OG1 3.13Å
495	A	95.5	Very high	95.9	Very high	12 Å²	12	22.3 Å²	22.3	10%	0.099	12%	0.12	C	C	.	.	H	α-helix	trans	-73.6	-23.7	-178.2	0	0	0	0	0	113.7	A491 L493 Y497 G498 T501 Y596 P598	A491-A495 WeakPolarHBondContact O-CB 3.44Å; A491-A495 PolarHBondContact O-N 3.48Å; L493-A495 PolarHBondContact O-N 2.98Å; A495-Y497 PolarHBondContact O-N 3.39Å; A495-G498 PolarHBondContact O-N 3.2Å; A495-G498 VanDerWaalsContact O-N 3.08Å; A495-T501 HydrophobicContact CB-CG2 4.44Å; A495-Y596 HydrophobicContact CB-CD1 4Å; A495-P598 HydrophobicContact CB-CG 4.23Å
496	R	92.7	Very high	96	Very high	154 Å²	154	20.4 Å²	20.4	58%	0.581	11%	0.111	S	C	*	.	H	α-helix	trans	-58.5	-31.2	178.2	-176.5	-178.7	-65.5	-178.9	1.8	112.5	D492 L493 H494 G498 P598	D492-R496 VanDerWaalsContact O-CB 3.27Å; D492-R496 WeakPolarHBondContact O-CB 3.18Å; D492-R496 PolarHBondContact O-N 2.94Å; L493-R496 PolarHBondContact O-N 3.47Å; H494-R496 PolarHBondContact O-N 3.17Å; R496-G498 VanDerWaalsContact C-N 3.35Å; R496-P598 HydrophobicContact CB-CG 4.37Å
497	Y	86.7	Confident	95.9	Very high	106 Å²	106	22 Å²	22	42%	0.416	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	5.8	-178.7	-70.4	-73.3	0	0	0	113.8	E392 L397 L493 A495	E392-Y497 PolarHBondContact O-OH 3.25Å; L397-Y497 HydrophobicContact CD1-CD1 3.65Å; L397-Y497 HydrophobicContact CD1-CD2 3.98Å; L397-Y497 HydrophobicContact CD1-CE1 4.33Å; L397-Y497 HydrophobicContact CD1-CG 3.45Å; L397-Y497 VanDerWaalsContact CD1-CG 3.45Å; L397-Y497 HydrophobicContact CD2-CD2 3.49Å; L397-Y497 VanDerWaalsContact CD2-CD2 3.49Å; L397-Y497 HydrophobicContact CD2-CE2 4.48Å; L397-Y497 HydrophobicContact CD2-CG 3.5Å; L397-Y497 HydrophobicContact CG-CD2 4.23Å; L397-Y497 HydrophobicContact CG-CG 4.05Å; L493-Y497 WeakPolarHBondContact O-CD2 3.47Å; A495-Y497 PolarHBondContact O-N 3.39Å
498	G	88.9	Confident	95.9	Very high	66 Å²	66	23.2 Å²	23.2	68%	0.68	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.1	1.6	176	0	0	0	0	0	115	A495 R496	A495-G498 PolarHBondContact O-N 3.2Å; A495-G498 VanDerWaalsContact O-N 3.08Å; R496-G498 VanDerWaalsContact C-N 3.35Å
499	S	93.5	Very high	95.7	Very high	14 Å²	14	25.3 Å²	25.3	10%	0.098	13%	0.132	C	C	.	.			trans	-69.1	137.6	178.6	-57.2	0	0	0	0	111.5	L397 H494 T501	L397-S499 PolarHBondContact O-OG 3.36Å; H494-S499 WeakPolarHBondContact CE1-CB 3.4Å; H494-S499 WeakPolarHBondContact NE2-CB 3.12Å; S499-T501 PolarHBondContact O-N 2.78Å; S499-T501 VanDerWaalsContact O-N 3.09Å; S499-T501 PolarHBondContact O-OG1 3.07Å
500	P	96.2	Very high	95.5	Very high	37 Å²	37	25.2 Å²	25.2	24%	0.24	13%	0.132	C	C	.	.			trans	-60.3	116.1	-178.2	-26.6	38.3	0	0	0	111.9	D400 I401	D400-P500 WeakPolarHBondContact OD1-CB 3.46Å; D400-P500 WeakPolarHBondContact OD1-CG 3.29Å; I401-P500 PolarHBondContact N-O 2.97Å
501	T	98.1	Very high	94.8	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.006	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	136.3	-176.4	-49.5	0	0	0	0	109.9	I401 L403 A491 H494 A495 S499 K595 Y596	I401-T501 CarbonylContact O-C 3.6Å; I401-T501 VanDerWaalsContact O-CA 3.29Å; I401-T501 WeakPolarHBondContact O-CA 3.42Å; L403-T501 HydrophobicContact CD2-CG2 3.66Å; A491-T501 HydrophobicContact CB-CG2 4.29Å; H494-T501 PolarHBondContact ND1-OG1 3.13Å; A495-T501 HydrophobicContact CB-CG2 4.44Å; S499-T501 PolarHBondContact O-N 2.78Å; S499-T501 VanDerWaalsContact O-N 3.09Å; S499-T501 PolarHBondContact O-OG1 3.07Å; T501-K595 WeakPolarHBondContact O-CA 3.25Å; T501-Y596 HydrophobicContact CG2-CD1 4.15Å; T501-Y596 HydrophobicContact CG2-CG 4.41Å; T501-Y596 PolarHBondContact O-N 3.26Å
502	Y	98.6	Very high	94.2	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.016	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	124.6	175.7	-67.2	-91	0	0	0	110	I401 M402 L403 F564 G568 D569 P570 W593 K595	I401-Y502 PolarHBondContact O-N 2.66Å; M402-Y502 CarbonylContact C-O 3.58Å; M402-Y502 WeakPolarHBondContact CA-O 3.33Å; L403-Y502 PolarHBondContact N-O 3.32Å; Y502-F564 HydrophobicContact CD2-CD2 4.33Å; Y502-F564 HydrophobicContact CD2-CE2 4.01Å; Y502-F564 HydrophobicContact CE2-CE2 4.35Å; Y502-G568 WeakPolarHBondContact CE2-O 3.07Å; Y502-D569 PolarHBondContact OH-OD1 2.95Å; Y502-P570 HydrophobicContact CD1-CG 3.54Å; Y502-P570 HydrophobicContact CD2-CG 4.4Å; Y502-P570 HydrophobicContact CE1-CG 3.61Å; Y502-P570 HydrophobicContact CE2-CG 4.47Å; Y502-P570 HydrophobicContact CG-CG 3.94Å; Y502-W593 AromaticContact CD1-CD1 3.9Å; Y502-W593 HydrophobicContact CD1-CD2 4.45Å; Y502-W593 HydrophobicContact CD1-CG 4.13Å; Y502-W593 WeakPolarHBondContact CE1-O 3.31Å; Y502-K595 HydrophobicContact CE1-CG 3.75Å; Y502-K595 HydrophobicContact CE2-CG 4.27Å; Y502-K595 WeakPolarHBondContact OH-CE 3.46Å
503	F	98.7	Very high	93.5	Very high	1 Å²	1	41.6 Å²	41.6	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	137.7	-179.6	-157.9	-87.8	0	0	0	111.3	L403 V405 V488 A491 W593 Y596 Y603 L604 Y616	L403-F503 HydrophobicContact CD1-CD2 4.46Å; L403-F503 HydrophobicContact CD1-CE2 4.38Å; L403-F503 HydrophobicContact CD2-CD2 4.19Å; L403-F503 HydrophobicContact CG-CD2 3.85Å; L403-F503 HydrophobicContact CG-CE2 4.11Å; L403-F503 CarbonylContact O-C 3.57Å; L403-F503 VanDerWaalsContact O-CA 3.23Å; L403-F503 WeakPolarHBondContact O-CA 3.46Å; V405-F503 HydrophobicContact CG2-CZ 4.49Å; V488-F503 HydrophobicContact CG2-CE2 4.15Å; V488-F503 HydrophobicContact CG2-CZ 3.83Å; A491-F503 HydrophobicContact CB-CD2 3.8Å; A491-F503 HydrophobicContact CB-CE2 4.18Å; F503-W593 PolarHBondContact O-NE1 3.26Å; F503-Y596 HydrophobicContact CB-CD2 3.49Å; F503-Y596 VanDerWaalsContact CB-CD2 3.49Å; F503-Y596 HydrophobicContact CB-CE2 4.15Å; F503-Y596 HydrophobicContact CB-CG 4.06Å; F503-Y596 HydrophobicContact CG-CD2 4.17Å; F503-Y596 HydrophobicContact CG-CE2 4.34Å; F503-Y603 HydrophobicContact CD1-CG 4.46Å; F503-Y603 CarbonylContact O-C 3.59Å; F503-Y603 VanDerWaalsContact O-CA 3.25Å; F503-Y603 WeakPolarHBondContact O-CA 3.5Å; F503-Y603 WeakPolarHBondContact O-CB 3.4Å; F503-L604 PolarHBondContact O-N 3.3Å; F503-Y616 HydrophobicContact CE1-CD1 4.16Å
504	Y	98.7	Very high	92.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	157.8	170	73.7	-92	0	0	0	112.3	Q313 L403 G404 V405 F506 W561 W593 L604 I606	Q313-Y504 WeakPolarHBondContact CA-OH 3.06Å; Q313-Y504 VanDerWaalsContact CB-OH 3.3Å; Q313-Y504 WeakPolarHBondContact CB-OH 3.27Å; L403-Y504 VanDerWaalsContact O-CD1 3.31Å; L403-Y504 WeakPolarHBondContact O-CD1 3.4Å; L403-Y504 PolarHBondContact O-N 3.25Å; G404-Y504 WeakPolarHBondContact CA-O 3.23Å; V405-Y504 PolarHBondContact N-O 3.39Å; Y504-F506 HydrophobicContact CD2-CB 4.16Å; Y504-F506 HydrophobicContact CE2-CB 4.02Å; Y504-W561 HydrophobicContact CD1-CH2 4.14Å; Y504-W561 HydrophobicContact CE1-CH2 4.01Å; Y504-W561 AromaticContact CE1-CZ2 3.98Å; Y504-W561 HydrophobicContact CE1-CZ2 3.98Å; Y504-W593 AromaticContact CD1-CH2 3.93Å; Y504-W593 HydrophobicContact CD1-CH2 3.93Å; Y504-W593 HydrophobicContact CD1-CZ2 4.18Å; Y504-W593 HydrophobicContact CG-CH2 4.26Å; Y504-W593 HydrophobicContact CG-CZ2 4.39Å; Y504-L604 WeakPolarHBondContact CA-O 3.37Å; Y504-I606 HydrophobicContact CD2-CD1 3.96Å; Y504-I606 HydrophobicContact CG-CD1 3.85Å
505	A	98.6	Very high	92.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	128.9	162.2	0	0	0	0	0	109	V405 Y507 Y603 L604 I606 Y616	V405-A505 CarbonylContact O-C 3.54Å; V405-A505 VanDerWaalsContact O-CA 3.29Å; V405-A505 WeakPolarHBondContact O-CA 3.24Å; A505-Y507 HydrophobicContact CB-CD2 4.12Å; A505-Y507 HydrophobicContact CB-CE2 3.51Å; A505-Y507 WeakPolarHBondContact O-CD2 3.37Å; A505-Y603 HydrophobicContact CB-CD2 3.83Å; A505-Y603 HydrophobicContact CB-CE2 3.77Å; A505-L604 PolarHBondContact N-O 3.25Å; A505-I606 PolarHBondContact O-N 3.13Å; A505-Y616 HydrophobicContact CB-CD1 4.41Å; A505-Y616 HydrophobicContact CB-CD2 4.23Å; A505-Y616 HydrophobicContact CB-CE1 4.15Å; A505-Y616 HydrophobicContact CB-CE2 4.01Å; A505-Y616 HydrophobicContact CB-CG 4.43Å
506	F	98.5	Very high	91.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	118.7	-172.1	-156.7	-96.7	0	0	0	110.9	V405 N406 Q407 Y504 H508 A521 E526 Y529 L553 V557 I606	V405-F506 PolarHBondContact O-N 3.08Å; N406-F506 VanDerWaalsContact OD1-CB 3.26Å; N406-F506 WeakPolarHBondContact OD1-CB 3.43Å; Q407-F506 PolarHBondContact N-O 3.2Å; Y504-F506 HydrophobicContact CD2-CB 4.16Å; Y504-F506 HydrophobicContact CE2-CB 4.02Å; F506-H508 WeakPolarHBondContact CD1-O 3.33Å; F506-H508 HydrophobicContact CE1-CB 4.48Å; F506-H508 WeakPolarHBondContact CE1-O 3.37Å; F506-A521 HydrophobicContact CD1-CB 4.36Å; F506-E526 HydrophobicContact CD1-CB 4.02Å; F506-E526 HydrophobicContact CD2-CB 4.05Å; F506-E526 HydrophobicContact CE1-CB 4.01Å; F506-E526 HydrophobicContact CE2-CB 4.07Å; F506-E526 HydrophobicContact CG-CB 4.04Å; F506-E526 HydrophobicContact CZ-CB 4.07Å; F506-Y529 AromaticContact CE1-CD2 3.97Å; F506-Y529 HydrophobicContact CE1-CD2 3.97Å; F506-Y529 HydrophobicContact CE1-CE2 4.17Å; F506-Y529 AromaticContact CZ-CD2 3.63Å; F506-Y529 HydrophobicContact CZ-CD2 3.63Å; F506-Y529 HydrophobicContact CZ-CE2 4.19Å; F506-Y529 AromaticContact CZ-CG 3.93Å; F506-Y529 HydrophobicContact CZ-CG 3.93Å; F506-L553 HydrophobicContact CZ-CD2 4.25Å; F506-V557 HydrophobicContact CE2-CG2 4.04Å; F506-I606 HydrophobicContact CD2-CB 3.84Å; F506-I606 HydrophobicContact CD2-CD1 4.35Å; F506-I606 HydrophobicContact CD2-CG2 3.54Å; F506-I606 HydrophobicContact CE2-CB 4.35Å; F506-I606 HydrophobicContact CE2-CG2 3.52Å
507	Y	97.3	Very high	91.7	Very high	36 Å²	36	45.2 Å²	45.2	14%	0.141	26%	0.26	C	S	.	.			trans	-122.5	30.2	-170.6	-76.2	-110.6	0	0	0	112.1	Q407 A505 H605 I606 Y616 D801	Q407-Y507 HydrophobicContact CB-CD1 4.03Å; Q407-Y507 HydrophobicContact CB-CE1 4.37Å; Q407-Y507 HydrophobicContact CB-CG 4.21Å; Q407-Y507 HydrophobicContact CG-CD1 3.8Å; Q407-Y507 HydrophobicContact CG-CE1 3.89Å; Q407-Y507 HydrophobicContact CG-CG 4.48Å; A505-Y507 HydrophobicContact CB-CD2 4.12Å; A505-Y507 HydrophobicContact CB-CE2 3.51Å; A505-Y507 WeakPolarHBondContact O-CD2 3.37Å; Y507-H605 AromaticContact CD1-NE2 3.58Å; Y507-H605 AromaticContact CD2-CD2 3.43Å; Y507-H605 VanDerWaalsContact CD2-CD2 3.43Å; Y507-H605 WeakPolarHBondContact CD2-CD2 3.33Å; Y507-H605 AromaticContact CD2-NE2 3.67Å; Y507-H605 AromaticContact CE1-NE2 3.93Å; Y507-H605 AromaticContact CE2-CD2 3.43Å; Y507-H605 VanDerWaalsContact CE2-CD2 3.43Å; Y507-H605 WeakPolarHBondContact CE2-CD2 3.44Å; Y507-H605 AromaticContact CG-CD2 3.7Å; Y507-H605 AromaticContact CG-NE2 3.4Å; Y507-H605 AromaticContact CZ-CD2 3.68Å; Y507-I606 PolarHBondContact N-O 2.73Å; Y507-Y616 HydrophobicContact CE2-CE2 4.19Å; Y507-Y616 AromaticContact CZ-CE2 3.92Å; Y507-Y616 WeakPolarHBondContact OH-CE2 3.41Å; Y507-D801 PolarHBondContact OH-OD1 2.81Å
508	H	96	Very high	91.9	Very high	25 Å²	25	42.3 Å²	42.3	12%	0.116	25%	0.249	C	C	.	.			trans	-140.3	148.8	179.4	-171.6	78.2	0	0	0	110.1	F506 A521 Y529 D550 L553	F506-H508 WeakPolarHBondContact CD1-O 3.33Å; F506-H508 HydrophobicContact CE1-CB 4.48Å; F506-H508 WeakPolarHBondContact CE1-O 3.37Å; H508-A521 WeakPolarHBondContact O-CB 3.34Å; H508-Y529 AromaticContact CD2-CE1 3.89Å; H508-Y529 AromaticContact CD2-CZ 3.59Å; H508-Y529 PolarHBondContact CD2-OH 2.99Å; H508-Y529 PolarHBondContact NE2-OH 3.4Å; H508-D550 IonicContact CD2-OD1 3.56Å; H508-D550 IonicContact CE1-OD1 3.81Å; H508-D550 IonicContact NE2-OD1 2.73Å; H508-D550 PolarHBondContact NE2-OD1 2.76Å; H508-L553 HydrophobicContact CB-CD2 3.62Å; H508-L553 WeakPolarHBondContact CD2-CD2 3.36Å
509	H	94.1	Very high	92.1	Very high	49 Å²	49	39.4 Å²	39.4	23%	0.227	22%	0.217	C	C	.	.			trans	-152.8	161.3	170.8	68.1	94.8	0	0	0	109.2	K515 S519 A521 D525	H509-K515 PolarHBondContact ND1-NZ 3.44Å; H509-S519 PolarHBondContact NE2-O 3.47Å; H509-A521 HydrophobicContact CB-CB 4.4Å; H509-D525 HydrophobicContact CB-CB 4.07Å; H509-D525 VanDerWaalsContact CB-OD2 3.3Å; H509-D525 WeakPolarHBondContact CB-OD2 3.37Å; H509-D525 IonicContact CG-OD2 3.39Å
510	C	91.5	Very high	92.1	Very high	8 Å²	8	41.3 Å²	41.3	5%	0.054	23%	0.227	C	C	.	.			trans	-76.6	153.8	175.9	49.7	0	0	0	0	110.9	S512 Y529 C544 F546	C510-S512 PolarHBondContact O-N 3.01Å; C510-Y529 PolarHBondContact N-OH 2.94Å; C510-C544 HydrophobicContact CB-CB 3.54Å; C510-C544 WeakPolarHBondContact CB-SG 3.37Å; C510-C544 WeakPolarHBondContact SG-CB 3.44Å; C510-C544 CovalentContact SG-SG 2.03Å; C510-C544 PolarHBondContact SG-SG 3.5Å; C510-F546 HydrophobicContact CB-CD1 3.81Å; C510-F546 HydrophobicContact CB-CE1 3.71Å
511	Q	82.7	Confident	92.1	Very high	147 Å²	147	39.6 Å²	39.6	69%	0.687	22%	0.216	S	C	*	.	B	Isolated β-bridge	trans	-73.9	123.4	171.4	-68.9	-177.3	-7.4	0	0	109.3	N545	Q511-N545 PolarHBondContact O-N 2.97Å
512	S	84.1	Confident	92	Very high	25 Å²	25	39.5 Å²	39.5	18%	0.175	22%	0.215	C	C	.	.			trans	-134.2	142.8	177.1	177	0	0	0	0	109.3	C510 M514	C510-S512 PolarHBondContact O-N 3.01Å; S512-M514 PolarHBondContact O-N 2.79Å; S512-M514 WeakPolarHBondContact OG-CB 3.21Å; S512-M514 WeakPolarHBondContact OG-CG 3.23Å; S512-M514 PolarHBondContact OG-N 2.89Å; S512-M514 VanDerWaalsContact OG-N 3.1Å
513	L	81.1	Confident	91.9	Very high	179 Å²	179	39.6 Å²	39.6	94%	0.937	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-13	171.7	-68.6	172.3	0	0	0	112.5
514	M	78.5	Confident	91.7	Very high	77 Å²	77	39.6 Å²	39.6	38%	0.379	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-7.9	-177.5	-47.4	-177.4	97	0	0	113.1	A125 N126 S512 P543	A125-M514 VanDerWaalsContact C-CE 3.41Å; A125-M514 HydrophobicContact CB-CB 4.03Å; A125-M514 HydrophobicContact CB-CE 3.49Å; A125-M514 VanDerWaalsContact CB-CE 3.49Å; A125-M514 HydrophobicContact CB-CG 4.47Å; A125-M514 HydrophobicContact CB-SD 3.7Å; A125-M514 WeakPolarHBondContact O-CE 3.4Å; N126-M514 WeakPolarHBondContact OD1-CE 3.28Å; N126-M514 PolarHBondContact OD1-SD 3.16Å; N126-M514 VanDerWaalsContact OD1-SD 3.36Å; S512-M514 PolarHBondContact O-N 2.79Å; S512-M514 WeakPolarHBondContact OG-CB 3.21Å; S512-M514 WeakPolarHBondContact OG-CG 3.23Å; S512-M514 PolarHBondContact OG-N 2.89Å; S512-M514 VanDerWaalsContact OG-N 3.1Å; M514-P543 HydrophobicContact SD-CG 3.86Å
515	K	85.3	Confident	91.5	Very high	20 Å²	20	40.1 Å²	40.1	9%	0.087	22%	0.219	C	C	.	.	S	Bend	trans	-115.9	139.7	177.6	-72.2	-173.7	70.6	-160.2	0	109.5	V121 H509 S519 D520 D525	V121-K515 HydrophobicContact CG1-CD 4.12Å; V121-K515 HydrophobicContact CG1-CG 3.82Å; H509-K515 PolarHBondContact ND1-NZ 3.44Å; K515-S519 WeakPolarHBondContact CE-OG 3.38Å; K515-S519 PolarHBondContact NZ-OG 3.08Å; K515-D520 PolarHBondContact NZ-O 3.22Å; K515-D525 IonicContact NZ-OD2 3.87Å; K515-D525 PolarHBondContact NZ-OD2 3.45Å
516	P	89.8	Confident	91.4	Very high	45 Å²	45	40.1 Å²	40.1	29%	0.292	22%	0.219	S	C	.	.			trans	-57.6	143.5	172.6	-22.9	33.1	0	0	0	111.6	W518 S519	P516-W518 HydrophobicContact CB-CD2 3.89Å; P516-W518 HydrophobicContact CB-CG 4.15Å; P516-W518 HydrophobicContact CB-CH2 4.48Å; P516-W518 HydrophobicContact CB-CZ2 3.69Å; P516-W518 VanDerWaalsContact CB-NE1 3.3Å; P516-W518 HydrophobicContact CG-CH2 4.34Å; P516-W518 HydrophobicContact CG-CZ2 3.72Å; P516-W518 PolarHBondContact O-N 2.87Å; P516-W518 VanDerWaalsContact O-N 3.07Å; P516-S519 WeakPolarHBondContact O-CB 3.2Å; P516-S519 PolarHBondContact O-N 2.8Å; P516-S519 PolarHBondContact O-OG 2.84Å
517	A	88.8	Confident	91.4	Very high	110 Å²	110	40.1 Å²	40.1	91%	0.909	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-24.4	-175.7	0	0	0	0	0	113.7
518	W	91.2	Very high	91.3	Very high	45 Å²	45	38.7 Å²	38.7	17%	0.17	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-9.3	179	57.3	-105.8	0	0	0	114.5	L411 V414 V418 D422 R471 P516	L411-W518 HydrophobicContact CD1-CH2 3.44Å; L411-W518 VanDerWaalsContact CD1-CH2 3.44Å; L411-W518 HydrophobicContact CD1-CZ2 4.48Å; L411-W518 HydrophobicContact CD1-CZ3 3.51Å; V414-W518 HydrophobicContact CG2-CH2 3.99Å; V418-W518 HydrophobicContact CG1-CZ2 4.21Å; V418-W518 HydrophobicContact CG2-CH2 4.39Å; V418-W518 HydrophobicContact CG2-CZ2 4.12Å; D422-W518 HydrophobicContact CB-CG 4.44Å; D422-W518 PolarHBondContact OD1-NE1 3.33Å; R471-W518 HydrophobicContact CG-CH2 4.47Å; R471-W518 VanDerWaalsContact CZ-CE3 3.4Å; R471-W518 VanDerWaalsContact CZ-CG 3.45Å; R471-W518 VanDerWaalsContact NH1-CG 3.29Å; P516-W518 HydrophobicContact CB-CD2 3.89Å; P516-W518 HydrophobicContact CB-CG 4.15Å; P516-W518 HydrophobicContact CB-CH2 4.48Å; P516-W518 HydrophobicContact CB-CZ2 3.69Å; P516-W518 VanDerWaalsContact CB-NE1 3.3Å; P516-W518 HydrophobicContact CG-CH2 4.34Å; P516-W518 HydrophobicContact CG-CZ2 3.72Å; P516-W518 PolarHBondContact O-N 2.87Å; P516-W518 VanDerWaalsContact O-N 3.07Å
519	S	92.7	Very high	91.4	Very high	4 Å²	4	37.5 Å²	37.5	3%	0.028	21%	0.208	C	C	.	.			trans	-68.8	137.7	-175.8	71.5	0	0	0	0	110.5	H509 K515 P516	H509-S519 PolarHBondContact NE2-O 3.47Å; K515-S519 WeakPolarHBondContact CE-OG 3.38Å; K515-S519 PolarHBondContact NZ-OG 3.08Å; P516-S519 WeakPolarHBondContact O-CB 3.2Å; P516-S519 PolarHBondContact O-N 2.8Å; P516-S519 PolarHBondContact O-OG 2.84Å
520	D	94.5	Very high	91.6	Very high	54 Å²	54	35.1 Å²	35.1	29%	0.289	20%	0.197	S	C	.	.			trans	-79.2	-170.9	167	-66.2	-50.6	0	0	0	110.8	Q407 K515 A522	Q407-D520 HydrophobicContact CB-CB 4.27Å; Q407-D520 VanDerWaalsContact CD-CG 3.45Å; Q407-D520 HydrophobicContact CG-CB 4.04Å; Q407-D520 PolarHBondContact NE2-OD1 2.82Å; Q407-D520 PolarHBondContact NE2-OD2 2.97Å; Q407-D520 VanDerWaalsContact NE2-OD2 3.15Å; K515-D520 PolarHBondContact NZ-O 3.22Å; D520-A522 PolarHBondContact O-N 2.85Å; D520-A522 VanDerWaalsContact O-N 3.12Å
521	A	96	Very high	91.9	Very high	1 Å²	1	35 Å²	35	1%	0.008	20%	0.196	C	C	.	.	S	Bend	trans	-61.7	112.5	173	0	0	0	0	0	110.4	N406 G408 F506 H508 H509	N406-A521 HydrophobicContact CB-CB 4.34Å; G408-A521 CarbonylContact C-O 3.37Å; G408-A521 WeakPolarHBondContact CA-O 3.35Å; G408-A521 PolarHBondContact N-O 2.97Å; F506-A521 HydrophobicContact CD1-CB 4.36Å; H508-A521 WeakPolarHBondContact O-CB 3.34Å; H509-A521 HydrophobicContact CB-CB 4.4Å
522	A	95.5	Very high	92.5	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.163	C	C	.	.			trans	-97	179.9	-173.5	0	0	0	0	0	111.8	V121 N406 G408 L411 D520 G524 D525	V121-A522 HydrophobicContact CG2-CB 3.66Å; N406-A522 PolarHBondContact ND2-O 3.1Å; G408-A522 WeakPolarHBondContact O-CA 3.31Å; L411-A522 HydrophobicContact CB-CB 3.85Å; L411-A522 HydrophobicContact CD2-CB 3.77Å; L411-A522 HydrophobicContact CG-CB 4.46Å; D520-A522 PolarHBondContact O-N 2.85Å; D520-A522 VanDerWaalsContact O-N 3.12Å; A522-G524 PolarHBondContact O-N 3.38Å; A522-D525 PolarHBondContact N-OD2 2.92Å; A522-D525 WeakPolarHBondContact O-CB 2.96Å; A522-D525 PolarHBondContact O-N 2.88Å; A522-D525 VanDerWaalsContact O-N 3.16Å
523	H	95.8	Very high	93	Very high	6 Å²	6	27.5 Å²	27.5	3%	0.028	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	122.5	-176.8	-166	50.3	0	0	0	112.8	P120 V121 S314 E409 W483	P120-H523 VanDerWaalsContact CA-O 3.31Å; P120-H523 WeakPolarHBondContact CA-O 3.43Å; V121-H523 PolarHBondContact N-O 3.18Å; S314-H523 PolarHBondContact O-CE1 3.07Å; E409-H523 WeakPolarHBondContact OE2-CA 2.97Å; E409-H523 WeakPolarHBondContact OE2-CB 3.07Å; E409-H523 IonicContact OE2-CE1 3.8Å; E409-H523 IonicContact OE2-CG 3.79Å; E409-H523 IonicContact OE2-ND1 3.66Å; E409-H523 PolarHBondContact OE2-ND1 3.36Å; W483-H523 AromaticContact CE2-ND1 3.9Å; W483-H523 HydrophobicContact CZ2-CB 4.45Å; W483-H523 AromaticContact NE1-CE1 3.41Å; W483-H523 PolarHBondContact NE1-CE1 3.24Å; W483-H523 AromaticContact NE1-ND1 3.47Å; W483-H523 PolarHBondContact NE1-ND1 3.02Å
524	G	94.1	Very high	93.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	6.5	179.7	0	0	0	0	0	116.5	W122 A522 E526 V527	W122-G524 PolarHBondContact NE1-O 3.07Å; W122-G524 VanDerWaalsContact NE1-O 3.13Å; A522-G524 PolarHBondContact O-N 3.38Å; G524-E526 WeakPolarHBondContact CA-OE2 3.17Å; G524-E526 PolarHBondContact O-N 3.36Å; G524-V527 WeakPolarHBondContact O-CB 3.43Å; G524-V527 WeakPolarHBondContact O-CG2 3.33Å; G524-V527 PolarHBondContact O-N 2.91Å
525	D	95.7	Very high	94.3	Very high	12 Å²	12	17 Å²	17	6%	0.064	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-16.7	179.1	-81.4	-11.3	0	0	0	113.9	H509 K515 A522 P528 Y529	H509-D525 HydrophobicContact CB-CB 4.07Å; H509-D525 VanDerWaalsContact CB-OD2 3.3Å; H509-D525 WeakPolarHBondContact CB-OD2 3.37Å; H509-D525 IonicContact CG-OD2 3.39Å; K515-D525 IonicContact NZ-OD2 3.87Å; K515-D525 PolarHBondContact NZ-OD2 3.45Å; A522-D525 PolarHBondContact N-OD2 2.92Å; A522-D525 WeakPolarHBondContact O-CB 2.96Å; A522-D525 PolarHBondContact O-N 2.88Å; A522-D525 VanDerWaalsContact O-N 3.16Å; D525-P528 WeakPolarHBondContact O-CD 3.39Å; D525-P528 WeakPolarHBondContact O-CG 3.2Å; D525-Y529 VanDerWaalsContact O-CD2 3.22Å; D525-Y529 WeakPolarHBondContact O-CD2 3.45Å; D525-Y529 WeakPolarHBondContact O-CE2 3.34Å
526	E	97.2	Very high	94.6	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-28.5	175.9	82.1	-65.4	167.5	0	0	112.5	S287 Q313 N406 F506 G524 Y529 V530	S287-E526 WeakPolarHBondContact CB-OE1 3.35Å; S287-E526 PolarHBondContact OG-OE1 2.99Å; Q313-E526 HydrophobicContact CB-CG 4.46Å; Q313-E526 PolarHBondContact NE2-OE1 3.16Å; Q313-E526 VanDerWaalsContact NE2-OE1 3.11Å; N406-E526 PolarHBondContact ND2-OE2 3.08Å; F506-E526 HydrophobicContact CD1-CB 4.02Å; F506-E526 HydrophobicContact CD2-CB 4.05Å; F506-E526 HydrophobicContact CE1-CB 4.01Å; F506-E526 HydrophobicContact CE2-CB 4.07Å; F506-E526 HydrophobicContact CG-CB 4.04Å; F506-E526 HydrophobicContact CZ-CB 4.07Å; G524-E526 WeakPolarHBondContact CA-OE2 3.17Å; G524-E526 PolarHBondContact O-N 3.36Å; E526-Y529 WeakPolarHBondContact O-CB 3.5Å; E526-Y529 PolarHBondContact O-N 2.91Å; E526-V530 WeakPolarHBondContact O-CG2 3.47Å; E526-V530 PolarHBondContact O-N 3.5Å
527	V	96.8	Very high	94.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-50.1	-52.2	-177.2	177.9	0	0	0	0	113.3	W122 I219 G524 Y529 V530 F531 F542	W122-V527 HydrophobicContact CZ2-CG1 4.38Å; I219-V527 HydrophobicContact CD1-CG1 4.02Å; G524-V527 WeakPolarHBondContact O-CB 3.43Å; G524-V527 WeakPolarHBondContact O-CG2 3.33Å; G524-V527 PolarHBondContact O-N 2.91Å; V527-Y529 PolarHBondContact O-N 3.12Å; V527-V530 PolarHBondContact O-N 3.36Å; V527-F531 HydrophobicContact CG1-CD2 3.81Å; V527-F531 HydrophobicContact CG1-CE2 4.12Å; V527-F531 WeakPolarHBondContact O-CD2 3.26Å; V527-F531 PolarHBondContact O-N 3.41Å; V527-F542 HydrophobicContact CG1-CZ 4.22Å
528	P	96.2	Very high	94.7	Very high	5 Å²	5	16.3 Å²	16.3	3%	0.032	9%	0.094	C	C	.	.	H	α-helix	trans	-60.9	-31.2	179.6	22.2	-34.1	0	0	0	113.3	D525 G532 V533 P534 F542 F546	D525-P528 WeakPolarHBondContact O-CD 3.39Å; D525-P528 WeakPolarHBondContact O-CG 3.2Å; P528-G532 PolarHBondContact O-N 3.43Å; P528-V533 HydrophobicContact CB-CB 4.01Å; P528-V533 HydrophobicContact CB-CG2 4.07Å; P528-V533 PolarHBondContact O-N 2.69Å; P528-P534 VanDerWaalsContact O-CD 3.26Å; P528-P534 WeakPolarHBondContact O-CD 3.42Å; P528-F542 HydrophobicContact CB-CD1 4.06Å; P528-F542 HydrophobicContact CB-CE1 4.29Å; P528-F542 HydrophobicContact CB-CG 4.36Å; P528-F542 HydrophobicContact CG-CD1 4.32Å; P528-F542 HydrophobicContact CG-CE1 4.44Å; P528-F546 HydrophobicContact CB-CE1 4.43Å; P528-F546 HydrophobicContact CB-CZ 4.2Å
529	Y	97.9	Very high	94.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-74.2	-38	177.7	-61.5	-88.4	0	0	0	111.9	F506 H508 C510 D525 E526 V527 G532 P534 D550 L553 S554	F506-Y529 AromaticContact CE1-CD2 3.97Å; F506-Y529 HydrophobicContact CE1-CD2 3.97Å; F506-Y529 HydrophobicContact CE1-CE2 4.17Å; F506-Y529 AromaticContact CZ-CD2 3.63Å; F506-Y529 HydrophobicContact CZ-CD2 3.63Å; F506-Y529 HydrophobicContact CZ-CE2 4.19Å; F506-Y529 AromaticContact CZ-CG 3.93Å; F506-Y529 HydrophobicContact CZ-CG 3.93Å; H508-Y529 AromaticContact CD2-CE1 3.89Å; H508-Y529 AromaticContact CD2-CZ 3.59Å; H508-Y529 PolarHBondContact CD2-OH 2.99Å; H508-Y529 PolarHBondContact NE2-OH 3.4Å; C510-Y529 PolarHBondContact N-OH 2.94Å; D525-Y529 VanDerWaalsContact O-CD2 3.22Å; D525-Y529 WeakPolarHBondContact O-CD2 3.45Å; D525-Y529 WeakPolarHBondContact O-CE2 3.34Å; E526-Y529 WeakPolarHBondContact O-CB 3.5Å; E526-Y529 PolarHBondContact O-N 2.91Å; V527-Y529 PolarHBondContact O-N 3.12Å; Y529-G532 PolarHBondContact O-N 2.97Å; Y529-P534 HydrophobicContact CD1-CG 4.21Å; Y529-P534 HydrophobicContact CE1-CG 4.32Å; Y529-D550 HydrophobicContact CE1-CB 3.86Å; Y529-D550 WeakPolarHBondContact CE1-OD1 3.39Å; Y529-D550 PolarHBondContact OH-OD1 2.64Å; Y529-L553 HydrophobicContact CD1-CB 4.25Å; Y529-L553 HydrophobicContact CD1-CD2 4.06Å; Y529-L553 HydrophobicContact CD1-CG 4.16Å; Y529-L553 HydrophobicContact CE1-CB 4.4Å; Y529-L553 HydrophobicContact CE1-CD2 3.98Å; Y529-L553 HydrophobicContact CE1-CG 4.47Å; Y529-S554 PolarHBondContact O-OG 2.81Å
530	V	98.3	Very high	94.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-65	-39.6	175.7	175.2	0	0	0	0	111.5	F285 E526 V527 V557 M558 W561	F285-V530 HydrophobicContact CD2-CG1 4.5Å; F285-V530 HydrophobicContact CE2-CG1 4.03Å; E526-V530 WeakPolarHBondContact O-CG2 3.47Å; E526-V530 PolarHBondContact O-N 3.5Å; V527-V530 PolarHBondContact O-N 3.36Å; V530-V557 HydrophobicContact CB-CG1 4.36Å; V530-V557 HydrophobicContact CG2-CG1 3.65Å; V530-M558 VanDerWaalsContact O-CG 3.27Å; V530-M558 WeakPolarHBondContact O-CG 3.47Å; V530-W561 HydrophobicContact CG1-CG 4.43Å; V530-W561 HydrophobicContact CG2-CD2 4.43Å; V530-W561 HydrophobicContact CG2-CZ2 4Å
531	F	97.7	Very high	94.1	Very high	6 Å²	6	20 Å²	20	3%	0.026	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	3.7	-179.6	-73.4	-75.4	0	0	0	114.8	Y205 I219 L224 F285 V527 V533	Y205-F531 HydrophobicContact CD1-CZ 4.1Å; Y205-F531 HydrophobicContact CD2-CE2 4.09Å; Y205-F531 AromaticContact CD2-CZ 3.57Å; Y205-F531 HydrophobicContact CD2-CZ 3.57Å; Y205-F531 HydrophobicContact CE1-CE2 4.46Å; Y205-F531 HydrophobicContact CE1-CZ 4.33Å; Y205-F531 AromaticContact CE2-CE2 3.81Å; Y205-F531 HydrophobicContact CE2-CE2 3.81Å; Y205-F531 AromaticContact CE2-CZ 3.79Å; Y205-F531 HydrophobicContact CE2-CZ 3.79Å; Y205-F531 HydrophobicContact CG-CE2 4.48Å; Y205-F531 AromaticContact CG-CZ 3.71Å; Y205-F531 HydrophobicContact CG-CZ 3.71Å; I219-F531 HydrophobicContact CG2-CD1 3.38Å; I219-F531 HydrophobicContact CG2-CD2 3.64Å; I219-F531 HydrophobicContact CG2-CE1 3.2Å; I219-F531 HydrophobicContact CG2-CE2 3.47Å; I219-F531 VanDerWaalsContact CG2-CE2 3.47Å; I219-F531 HydrophobicContact CG2-CG 3.61Å; I219-F531 HydrophobicContact CG2-CZ 3.26Å; L224-F531 HydrophobicContact CD2-CD1 4.3Å; L224-F531 HydrophobicContact CD2-CE1 4.19Å; F285-F531 HydrophobicContact CE2-CE1 4.11Å; F285-F531 HydrophobicContact CE2-CE2 4.19Å; F285-F531 AromaticContact CE2-CZ 3.5Å; F285-F531 HydrophobicContact CE2-CZ 3.5Å; F285-F531 VanDerWaalsContact CE2-CZ 3.5Å; F285-F531 AromaticContact CZ-CE1 3.89Å; F285-F531 HydrophobicContact CZ-CE1 3.89Å; F285-F531 AromaticContact CZ-CZ 3.64Å; F285-F531 HydrophobicContact CZ-CZ 3.64Å; V527-F531 HydrophobicContact CG1-CD2 3.81Å; V527-F531 HydrophobicContact CG1-CE2 4.12Å; V527-F531 WeakPolarHBondContact O-CD2 3.26Å; V527-F531 PolarHBondContact O-N 3.41Å; F531-V533 VanDerWaalsContact C-N 3.31Å; F531-V533 HydrophobicContact CB-CG2 4.42Å; F531-V533 PolarHBondContact O-N 2.99Å
532	G	95.9	Very high	93.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	12.3	173.5	0	0	0	0	0	115.1	I223 P528 Y529 P534 M535 S554	I223-G532 VanDerWaalsContact CD1-O 3.24Å; I223-G532 WeakPolarHBondContact CD1-O 3.4Å; P528-G532 PolarHBondContact O-N 3.43Å; Y529-G532 PolarHBondContact O-N 2.97Å; G532-P534 VanDerWaalsContact C-CD 3.4Å; G532-P534 VanDerWaalsContact C-N 3.31Å; G532-M535 VanDerWaalsContact O-CB 3.28Å; G532-M535 WeakPolarHBondContact O-CB 3.21Å; G532-M535 PolarHBondContact O-N 3.16Å; G532-S554 VanDerWaalsContact CA-OG 3.3Å; G532-S554 WeakPolarHBondContact CA-OG 3.43Å
533	V	95.2	Very high	93.4	Very high	14 Å²	14	23.4 Å²	23.4	9%	0.085	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-51.7	-42.2	-176.1	-176.6	0	0	0	0	112.8	P528 F531 M535 V536 G537 T539 F542 F546	P528-V533 HydrophobicContact CB-CB 4.01Å; P528-V533 HydrophobicContact CB-CG2 4.07Å; P528-V533 PolarHBondContact O-N 2.69Å; F531-V533 VanDerWaalsContact C-N 3.31Å; F531-V533 HydrophobicContact CB-CG2 4.42Å; F531-V533 PolarHBondContact O-N 2.99Å; V533-M535 PolarHBondContact O-N 3.32Å; V533-V536 PolarHBondContact O-N 2.79Å; V533-G537 PolarHBondContact O-N 3.31Å; V533-G537 VanDerWaalsContact O-N 3.07Å; V533-T539 HydrophobicContact CG1-CG2 4.04Å; V533-F542 HydrophobicContact CG1-CB 4.04Å; V533-F542 HydrophobicContact CG1-CD2 4.12Å; V533-F542 HydrophobicContact CG1-CG 4.34Å; V533-F542 HydrophobicContact CG2-CD2 3.91Å; V533-F542 HydrophobicContact CG2-CE2 4.12Å; V533-F546 HydrophobicContact CB-CE2 4.48Å; V533-F546 HydrophobicContact CB-CZ 4.36Å; V533-F546 HydrophobicContact CG1-CE2 3.69Å; V533-F546 HydrophobicContact CG1-CZ 3.91Å
534	P	94.6	Very high	93	Very high	7 Å²	7	23.7 Å²	23.7	5%	0.045	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-54.4	-24.7	175.9	-28.9	37.1	0	0	0	115	P528 Y529 G532 F546 D550 V551	P528-P534 VanDerWaalsContact O-CD 3.26Å; P528-P534 WeakPolarHBondContact O-CD 3.42Å; Y529-P534 HydrophobicContact CD1-CG 4.21Å; Y529-P534 HydrophobicContact CE1-CG 4.32Å; G532-P534 VanDerWaalsContact C-CD 3.4Å; G532-P534 VanDerWaalsContact C-N 3.31Å; P534-F546 HydrophobicContact CB-CB 4.13Å; P534-F546 HydrophobicContact CB-CD1 4.01Å; P534-F546 HydrophobicContact CB-CG 3.99Å; P534-F546 HydrophobicContact CG-CD1 3.62Å; P534-F546 HydrophobicContact CG-CE1 3.77Å; P534-F546 HydrophobicContact CG-CG 4.07Å; P534-F546 HydrophobicContact CG-CZ 4.35Å; P534-D550 HydrophobicContact CB-CB 4.19Å; P534-D550 HydrophobicContact CG-CB 4.28Å; P534-V551 HydrophobicContact CB-CG2 4.19Å; P534-V551 WeakPolarHBondContact O-CG2 3.33Å
535	M	92	Very high	92.8	Very high	27 Å²	27	29.2 Å²	29.2	13%	0.133	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-74.8	-22.6	179.8	-59.9	-167.7	173.2	0	0	114	L63 I223 Y227 G532 V533 V551 A555 M558 I581	L63-M535 HydrophobicContact CD1-SD 4.35Å; I223-M535 HydrophobicContact CG2-CB 4.37Å; I223-M535 HydrophobicContact CG2-SD 3.98Å; Y227-M535 HydrophobicContact CD2-CE 3.79Å; Y227-M535 HydrophobicContact CD2-SD 4.11Å; Y227-M535 HydrophobicContact CE2-CE 3.77Å; G532-M535 VanDerWaalsContact O-CB 3.28Å; G532-M535 WeakPolarHBondContact O-CB 3.21Å; G532-M535 PolarHBondContact O-N 3.16Å; V533-M535 PolarHBondContact O-N 3.32Å; M535-V551 HydrophobicContact CG-CG1 4.31Å; M535-A555 HydrophobicContact CE-CB 3.58Å; M535-M558 HydrophobicContact CE-CE 3.14Å; M535-M558 HydrophobicContact CG-CE 4.48Å; M535-M558 HydrophobicContact SD-CE 3.57Å; M535-M558 VanDerWaalsContact SD-CE 3.57Å; M535-I581 HydrophobicContact CE-CD1 4.34Å; M535-I581 HydrophobicContact CE-CG1 3.97Å; M535-I581 HydrophobicContact SD-CD1 4.02Å; M535-I581 HydrophobicContact SD-CG1 4.03Å
536	V	91.1	Very high	92.7	Very high	64 Å²	64	30.2 Å²	30.2	39%	0.388	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-31.2	174	170	0	0	0	0	110.8	P59 I223 V533	P59-V536 HydrophobicContact CG-CG1 4.06Å; P59-V536 HydrophobicContact CG-CG2 4.07Å; I223-V536 HydrophobicContact CD1-CB 4.18Å; I223-V536 HydrophobicContact CD1-CG2 3.39Å; I223-V536 HydrophobicContact CG1-CG2 4.09Å; V533-V536 PolarHBondContact O-N 2.79Å
537	G	89.9	Confident	92.5	Very high	14 Å²	14	32.5 Å²	32.5	14%	0.144	19%	0.191	C	C	.	.			trans	108.6	-169.2	-176.4	0	0	0	0	0	111.7	V533 T539	V533-G537 PolarHBondContact O-N 3.31Å; V533-G537 VanDerWaalsContact O-N 3.07Å; G537-T539 PolarHBondContact O-N 3.14Å
538	P	90.8	Very high	92.4	Very high	83 Å²	83	38.9 Å²	38.9	54%	0.539	22%	0.219	S	C	.	.			trans	-58.3	135.9	178.3	-15.7	26.4	0	0	0	110.9	C544	P538-C544 WeakPolarHBondContact CG-O 3.39Å
539	T	90.7	Very high	92.3	Very high	53 Å²	53	40.5 Å²	40.5	33%	0.325	23%	0.228	S	C	.	.			trans	-117.5	167.5	173.1	67.2	0	0	0	0	109.6	V533 G537 L541 F542	V533-T539 HydrophobicContact CG1-CG2 4.04Å; G537-T539 PolarHBondContact O-N 3.14Å; T539-L541 PolarHBondContact O-N 3.19Å; T539-F542 PolarHBondContact N-O 3.27Å; T539-F542 VanDerWaalsContact N-O 3.16Å; T539-F542 CarbonylContact O-C 3.04Å; T539-F542 PolarHBondContact O-N 3.46Å; T539-F542 PolarHBondContact OG1-N 3.06Å; T539-F542 VanDerWaalsContact OG1-N 3.14Å
540	D	86.9	Confident	92.2	Very high	125 Å²	125	40.8 Å²	40.8	67%	0.668	23%	0.229	S	C	*	.	S	Bend	trans	-59.1	-37.4	178.8	-62.9	-28	0	0	0	112	I129	I129-D540 HydrophobicContact CD1-CB 4.32Å; I129-D540 HydrophobicContact CG2-CB 4Å
541	L	88.3	Confident	92.1	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.01	24%	0.235	C	C	.	.	S	Bend	trans	-78.6	-30.8	178.1	-170.8	64.3	0	0	0	113	W122 N126 I129 V130 M218 T539 P543	W122-L541 HydrophobicContact CE3-CD1 4.13Å; W122-L541 HydrophobicContact CE3-CD2 4.35Å; W122-L541 HydrophobicContact CE3-CG 4.14Å; W122-L541 HydrophobicContact CZ3-CD1 4.23Å; W122-L541 HydrophobicContact CZ3-CD2 4.09Å; W122-L541 HydrophobicContact CZ3-CG 4.32Å; N126-L541 PolarHBondContact ND2-O 2.88Å; I129-L541 HydrophobicContact CG2-CB 4.48Å; I129-L541 HydrophobicContact CG2-CD1 4.38Å; V130-L541 HydrophobicContact CG2-CD1 3.77Å; M218-L541 HydrophobicContact CB-CD2 3.97Å; M218-L541 WeakPolarHBondContact O-CD2 3.24Å; T539-L541 PolarHBondContact O-N 3.19Å; L541-P543 VanDerWaalsContact C-CD 3.43Å; L541-P543 WeakPolarHBondContact O-CD 3.3Å
542	F	90.6	Very high	92	Very high	17 Å²	17	41.4 Å²	41.4	8%	0.075	23%	0.234	C	C	.	.			trans	-121.7	75.2	178.5	-58.2	-76.4	0	0	0	110.2	W122 I219 V527 P528 V533 T539 C544 F546	W122-F542 HydrophobicContact CB-CD1 4.06Å; W122-F542 HydrophobicContact CB-CE1 4.01Å; W122-F542 AromaticContact CD1-CE1 3.84Å; W122-F542 HydrophobicContact CD2-CD1 4.5Å; W122-F542 AromaticContact CD2-CE1 3.62Å; W122-F542 HydrophobicContact CD2-CE1 3.62Å; W122-F542 HydrophobicContact CD2-CZ 4.15Å; W122-F542 AromaticContact CE2-CE1 3.99Å; W122-F542 HydrophobicContact CE3-CE1 4.09Å; W122-F542 HydrophobicContact CE3-CZ 4.3Å; W122-F542 HydrophobicContact CG-CD1 4.12Å; W122-F542 AromaticContact CG-CE1 3.56Å; W122-F542 HydrophobicContact CG-CE1 3.56Å; I219-F542 HydrophobicContact CD1-CZ 4.35Å; V527-F542 HydrophobicContact CG1-CZ 4.22Å; P528-F542 HydrophobicContact CB-CD1 4.06Å; P528-F542 HydrophobicContact CB-CE1 4.29Å; P528-F542 HydrophobicContact CB-CG 4.36Å; P528-F542 HydrophobicContact CG-CD1 4.32Å; P528-F542 HydrophobicContact CG-CE1 4.44Å; V533-F542 HydrophobicContact CG1-CB 4.04Å; V533-F542 HydrophobicContact CG1-CD2 4.12Å; V533-F542 HydrophobicContact CG1-CG 4.34Å; V533-F542 HydrophobicContact CG2-CD2 3.91Å; V533-F542 HydrophobicContact CG2-CE2 4.12Å; T539-F542 PolarHBondContact N-O 3.27Å; T539-F542 VanDerWaalsContact N-O 3.16Å; T539-F542 CarbonylContact O-C 3.04Å; T539-F542 PolarHBondContact O-N 3.46Å; T539-F542 PolarHBondContact OG1-N 3.06Å; T539-F542 VanDerWaalsContact OG1-N 3.14Å; F542-C544 PolarHBondContact O-N 2.83Å; F542-F546 HydrophobicContact CB-CZ 4.38Å
543	P	86.7	Confident	92	Very high	56 Å²	56	41.4 Å²	41.4	36%	0.364	23%	0.234	S	C	.	.			trans	-77.6	50.9	-178.4	34.1	-37.8	0	0	0	111.6	M514 L541	M514-P543 HydrophobicContact SD-CG 3.86Å; L541-P543 VanDerWaalsContact C-CD 3.43Å; L541-P543 WeakPolarHBondContact O-CD 3.3Å
544	C	87.7	Confident	92.1	Very high	13 Å²	13	40.8 Å²	40.8	9%	0.088	23%	0.23	C	C	.	.			trans	-96.3	139	-178	-104.7	0	0	0	0	111.5	C510 P538 F542 F546	C510-C544 HydrophobicContact CB-CB 3.54Å; C510-C544 WeakPolarHBondContact CB-SG 3.37Å; C510-C544 WeakPolarHBondContact SG-CB 3.44Å; C510-C544 CovalentContact SG-SG 2.03Å; C510-C544 PolarHBondContact SG-SG 3.5Å; P538-C544 WeakPolarHBondContact CG-O 3.39Å; F542-C544 PolarHBondContact O-N 2.83Å; C544-F546 VanDerWaalsContact C-N 3.34Å; C544-F546 HydrophobicContact CB-CD1 4.16Å; C544-F546 HydrophobicContact CB-CD2 4.31Å; C544-F546 HydrophobicContact CB-CE1 3.67Å; C544-F546 HydrophobicContact CB-CE2 3.83Å; C544-F546 HydrophobicContact CB-CG 4.47Å; C544-F546 HydrophobicContact CB-CZ 3.5Å; C544-F546 VanDerWaalsContact CB-CZ 3.5Å; C544-F546 WeakPolarHBondContact O-CD2 3.36Å; C544-F546 PolarHBondContact O-N 3.45Å
545	N	89.6	Confident	92.2	Very high	116 Å²	116	40.4 Å²	40.4	62%	0.62	23%	0.227	S	C	*	.	B	Isolated β-bridge	trans	-79.5	83.7	172.5	-74.6	-30.7	0	0	0	110	Q511 S547	Q511-N545 PolarHBondContact O-N 2.97Å; N545-S547 PolarHBondContact O-N 2.9Å
546	F	92.7	Very high	92.4	Very high	32 Å²	32	39.1 Å²	39.1	14%	0.14	22%	0.221	C	C	.	.			trans	-69.5	121.7	179.9	-61.5	-65.1	0	0	0	112	C510 P528 V533 P534 F542 C544 D550	C510-F546 HydrophobicContact CB-CD1 3.81Å; C510-F546 HydrophobicContact CB-CE1 3.71Å; P528-F546 HydrophobicContact CB-CE1 4.43Å; P528-F546 HydrophobicContact CB-CZ 4.2Å; V533-F546 HydrophobicContact CB-CE2 4.48Å; V533-F546 HydrophobicContact CB-CZ 4.36Å; V533-F546 HydrophobicContact CG1-CE2 3.69Å; V533-F546 HydrophobicContact CG1-CZ 3.91Å; P534-F546 HydrophobicContact CB-CB 4.13Å; P534-F546 HydrophobicContact CB-CD1 4.01Å; P534-F546 HydrophobicContact CB-CG 3.99Å; P534-F546 HydrophobicContact CG-CD1 3.62Å; P534-F546 HydrophobicContact CG-CE1 3.77Å; P534-F546 HydrophobicContact CG-CG 4.07Å; P534-F546 HydrophobicContact CG-CZ 4.35Å; F542-F546 HydrophobicContact CB-CZ 4.38Å; C544-F546 VanDerWaalsContact C-N 3.34Å; C544-F546 HydrophobicContact CB-CD1 4.16Å; C544-F546 HydrophobicContact CB-CD2 4.31Å; C544-F546 HydrophobicContact CB-CE1 3.67Å; C544-F546 HydrophobicContact CB-CE2 3.83Å; C544-F546 HydrophobicContact CB-CG 4.47Å; C544-F546 HydrophobicContact CB-CZ 3.5Å; C544-F546 VanDerWaalsContact CB-CZ 3.5Å; C544-F546 WeakPolarHBondContact O-CD2 3.36Å; C544-F546 PolarHBondContact O-N 3.45Å; F546-D550 HydrophobicContact CB-CB 4.16Å; F546-D550 HydrophobicContact CD1-CB 4.02Å
547	S	93.7	Very high	92.8	Very high	48 Å²	48	36.1 Å²	36.1	34%	0.336	20%	0.203	S	C	.	.			trans	-83.7	169.3	173.2	78.7	0	0	0	0	111.5	N545 N549 D550 V551	N545-S547 PolarHBondContact O-N 2.9Å; S547-N549 PolarHBondContact O-N 2.7Å; S547-N549 PolarHBondContact OG-N 3.08Å; S547-D550 WeakPolarHBondContact CA-OD2 2.96Å; S547-D550 WeakPolarHBondContact CB-OD2 3.21Å; S547-D550 PolarHBondContact N-OD2 3.5Å; S547-D550 WeakPolarHBondContact O-CB 3.33Å; S547-D550 PolarHBondContact O-N 3.28Å; S547-D550 PolarHBondContact OG-N 3.44Å; S547-D550 PolarHBondContact OG-OD2 2.83Å; S547-V551 PolarHBondContact O-N 3.45Å
548	K	93.5	Very high	93.1	Very high	134 Å²	134	35.4 Å²	35.4	58%	0.583	20%	0.196	S	C	*	.	H	α-helix	trans	-59.6	-26.7	170.8	-65.3	-174.1	179.1	-177.5	0	113.4	D550 M552 T583 K584	K548-D550 VanDerWaalsContact C-N 3.33Å; K548-M552 PolarHBondContact O-N 3.02Å; K548-T583 WeakPolarHBondContact CB-OG1 3.02Å; K548-T583 PolarHBondContact O-OG1 3.45Å; K548-K584 HydrophobicContact CB-CG 3.77Å
549	N	94.9	Very high	93.5	Very high	40 Å²	40	31.7 Å²	31.7	21%	0.214	17%	0.172	C	C	.	.	H	α-helix	trans	-71.6	-32.2	174.4	-65.9	-37	0	0	0	111	S547 M552 L553 L608	S547-N549 PolarHBondContact O-N 2.7Å; S547-N549 PolarHBondContact OG-N 3.08Å; N549-M552 PolarHBondContact O-N 3.07Å; N549-L553 WeakPolarHBondContact O-CB 3.28Å; N549-L553 PolarHBondContact O-N 2.98Å; N549-L608 HydrophobicContact CB-CD1 4.49Å; N549-L608 HydrophobicContact CB-CD2 3.81Å
550	D	95.9	Very high	93.8	Very high	5 Å²	5	29.3 Å²	29.3	3%	0.027	16%	0.156	C	C	.	.	H	α-helix	trans	-67.9	-39.9	175.8	-61.9	-72.2	0	0	0	111.5	H508 Y529 P534 F546 S547 K548 L553 S554	H508-D550 IonicContact CD2-OD1 3.56Å; H508-D550 IonicContact CE1-OD1 3.81Å; H508-D550 IonicContact NE2-OD1 2.73Å; H508-D550 PolarHBondContact NE2-OD1 2.76Å; Y529-D550 HydrophobicContact CE1-CB 3.86Å; Y529-D550 WeakPolarHBondContact CE1-OD1 3.39Å; Y529-D550 PolarHBondContact OH-OD1 2.64Å; P534-D550 HydrophobicContact CB-CB 4.19Å; P534-D550 HydrophobicContact CG-CB 4.28Å; F546-D550 HydrophobicContact CB-CB 4.16Å; F546-D550 HydrophobicContact CD1-CB 4.02Å; S547-D550 WeakPolarHBondContact CA-OD2 2.96Å; S547-D550 WeakPolarHBondContact CB-OD2 3.21Å; S547-D550 PolarHBondContact N-OD2 3.5Å; S547-D550 WeakPolarHBondContact O-CB 3.33Å; S547-D550 PolarHBondContact O-N 3.28Å; S547-D550 PolarHBondContact OG-N 3.44Å; S547-D550 PolarHBondContact OG-OD2 2.83Å; K548-D550 VanDerWaalsContact C-N 3.33Å; D550-L553 PolarHBondContact O-N 3.29Å; D550-S554 VanDerWaalsContact O-CB 3.3Å; D550-S554 WeakPolarHBondContact O-CB 3.35Å; D550-S554 PolarHBondContact O-N 3.12Å
551	V	95	Very high	94.4	Very high	20 Å²	20	23.3 Å²	23.3	12%	0.121	13%	0.125	C	C	.	.	H	α-helix	trans	-60.4	-46.3	173.2	-174.8	0	0	0	0	111.1	P534 M535 S547 S554 A555 I581 T583	P534-V551 HydrophobicContact CB-CG2 4.19Å; P534-V551 WeakPolarHBondContact O-CG2 3.33Å; M535-V551 HydrophobicContact CG-CG1 4.31Å; S547-V551 PolarHBondContact O-N 3.45Å; V551-S554 PolarHBondContact O-N 3.45Å; V551-A555 PolarHBondContact O-N 2.95Å; V551-I581 WeakPolarHBondContact CG1-O 3.39Å; V551-T583 HydrophobicContact CB-CG2 4.36Å; V551-T583 HydrophobicContact CG1-CG2 3.82Å
552	M	95.5	Very high	94.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-60.5	-48.8	175.7	179.7	-82.2	-62	0	0	111.5	K548 N549 S554 A555 V556 H582 K584 R587 L608	K548-M552 PolarHBondContact O-N 3.02Å; N549-M552 PolarHBondContact O-N 3.07Å; M552-S554 VanDerWaalsContact C-N 3.35Å; M552-S554 PolarHBondContact O-N 2.95Å; M552-A555 WeakPolarHBondContact O-CB 3.43Å; M552-A555 PolarHBondContact O-N 2.77Å; M552-V556 WeakPolarHBondContact O-CG2 3.26Å; M552-V556 PolarHBondContact O-N 3.48Å; M552-V556 HydrophobicContact SD-CG2 3.86Å; M552-H582 WeakPolarHBondContact CA-O 3.22Å; M552-H582 HydrophobicContact CB-CB 4.34Å; M552-H582 WeakPolarHBondContact CB-O 3.3Å; M552-H582 HydrophobicContact CG-CB 4.25Å; M552-H582 PolarHBondContact N-O 2.99Å; M552-K584 HydrophobicContact CB-CB 4.15Å; M552-K584 HydrophobicContact CG-CB 4.41Å; M552-R587 HydrophobicContact CE-CB 4.46Å; M552-R587 HydrophobicContact CE-CG 4.01Å; M552-L608 HydrophobicContact CE-CD2 4.42Å
553	L	97	Very high	95.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63.8	-40.3	-179.2	-175.9	64.3	0	0	0	111.8	F506 H508 Y529 N549 D550 A555 V556 V557 F588 I606	F506-L553 HydrophobicContact CZ-CD2 4.25Å; H508-L553 HydrophobicContact CB-CD2 3.62Å; H508-L553 WeakPolarHBondContact CD2-CD2 3.36Å; Y529-L553 HydrophobicContact CD1-CB 4.25Å; Y529-L553 HydrophobicContact CD1-CD2 4.06Å; Y529-L553 HydrophobicContact CD1-CG 4.16Å; Y529-L553 HydrophobicContact CE1-CB 4.4Å; Y529-L553 HydrophobicContact CE1-CD2 3.98Å; Y529-L553 HydrophobicContact CE1-CG 4.47Å; N549-L553 WeakPolarHBondContact O-CB 3.28Å; N549-L553 PolarHBondContact O-N 2.98Å; D550-L553 PolarHBondContact O-N 3.29Å; L553-A555 PolarHBondContact O-N 2.97Å; L553-V556 WeakPolarHBondContact O-CB 3.12Å; L553-V556 PolarHBondContact O-N 3.45Å; L553-V557 HydrophobicContact CD1-CG2 4.43Å; L553-V557 HydrophobicContact CG-CG2 4.38Å; L553-V557 VanDerWaalsContact O-CG2 3.29Å; L553-V557 WeakPolarHBondContact O-CG2 3.41Å; L553-V557 PolarHBondContact O-N 3.37Å; L553-F588 HydrophobicContact CD1-CE2 3.83Å; L553-F588 HydrophobicContact CD1-CZ 3.88Å; L553-I606 HydrophobicContact CD1-CG2 3.91Å
554	S	97	Very high	95.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-63.5	-40.6	176.6	178.7	0	0	0	0	112.2	Y529 G532 D550 V551 M552 V556 V557 M558	Y529-S554 PolarHBondContact O-OG 2.81Å; G532-S554 VanDerWaalsContact CA-OG 3.3Å; G532-S554 WeakPolarHBondContact CA-OG 3.43Å; D550-S554 VanDerWaalsContact O-CB 3.3Å; D550-S554 WeakPolarHBondContact O-CB 3.35Å; D550-S554 PolarHBondContact O-N 3.12Å; V551-S554 PolarHBondContact O-N 3.45Å; M552-S554 VanDerWaalsContact C-N 3.35Å; M552-S554 PolarHBondContact O-N 2.95Å; S554-V556 VanDerWaalsContact C-N 3.34Å; S554-V556 PolarHBondContact O-N 2.69Å; S554-V557 PolarHBondContact O-N 2.94Å; S554-M558 WeakPolarHBondContact O-CB 3.35Å; S554-M558 WeakPolarHBondContact O-CG 3.4Å; S554-M558 PolarHBondContact O-N 3.2Å
555	A	96.3	Very high	96.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.2	-41.3	172.9	0	0	0	0	0	112.4	Y227 M535 V551 M552 L553 T559 H582	Y227-A555 HydrophobicContact CE2-CB 4.12Å; Y227-A555 PolarHBondContact OH-O 2.91Å; Y227-A555 VanDerWaalsContact OH-O 3.06Å; M535-A555 HydrophobicContact CE-CB 3.58Å; V551-A555 PolarHBondContact O-N 2.95Å; M552-A555 WeakPolarHBondContact O-CB 3.43Å; M552-A555 PolarHBondContact O-N 2.77Å; L553-A555 PolarHBondContact O-N 2.97Å; A555-T559 WeakPolarHBondContact O-CB 3.4Å; A555-T559 PolarHBondContact O-N 3.17Å; A555-T559 PolarHBondContact O-OG1 3.07Å; A555-H582 WeakPolarHBondContact CB-CD2 3.41Å
556	V	97.3	Very high	96.7	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61.4	-50.2	175.7	168.5	0	0	0	0	111.4	M552 L553 S554 T559 Y560 Q576 N586 F588	M552-V556 WeakPolarHBondContact O-CG2 3.26Å; M552-V556 PolarHBondContact O-N 3.48Å; M552-V556 HydrophobicContact SD-CG2 3.86Å; L553-V556 WeakPolarHBondContact O-CB 3.12Å; L553-V556 PolarHBondContact O-N 3.45Å; S554-V556 VanDerWaalsContact C-N 3.34Å; S554-V556 PolarHBondContact O-N 2.69Å; V556-T559 WeakPolarHBondContact O-CB 3.4Å; V556-T559 PolarHBondContact O-N 2.73Å; V556-Y560 HydrophobicContact CG1-CD2 3.75Å; V556-Y560 HydrophobicContact CG1-CE2 3.49Å; V556-Y560 VanDerWaalsContact CG1-CE2 3.49Å; V556-Y560 WeakPolarHBondContact O-CD2 2.96Å; V556-Y560 PolarHBondContact O-N 3.4Å; V556-Q576 PolarHBondContact O-NE2 3.36Å; V556-Q576 VanDerWaalsContact O-NE2 3.13Å; V556-N586 WeakPolarHBondContact CG2-OD1 3.29Å; V556-F588 HydrophobicContact CB-CD2 4.21Å; V556-F588 HydrophobicContact CB-CE2 4.39Å; V556-F588 HydrophobicContact CG1-CB 4.04Å; V556-F588 HydrophobicContact CG1-CD1 3.75Å; V556-F588 HydrophobicContact CG1-CD2 3.57Å; V556-F588 HydrophobicContact CG1-CE1 3.91Å; V556-F588 HydrophobicContact CG1-CE2 3.78Å; V556-F588 HydrophobicContact CG1-CG 3.54Å; V556-F588 HydrophobicContact CG1-CZ 3.91Å; V556-F588 HydrophobicContact CG2-CB 4.37Å; V556-F588 HydrophobicContact CG2-CD2 3.77Å; V556-F588 HydrophobicContact CG2-CE2 4.3Å; V556-F588 HydrophobicContact CG2-CG 4.26Å
557	V	98.2	Very high	96.9	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-60.4	-50.9	-179.7	169.1	0	0	0	0	110	F506 V530 L553 S554 T559 Y560 W561 I606	F506-V557 HydrophobicContact CE2-CG2 4.04Å; V530-V557 HydrophobicContact CB-CG1 4.36Å; V530-V557 HydrophobicContact CG2-CG1 3.65Å; L553-V557 HydrophobicContact CD1-CG2 4.43Å; L553-V557 HydrophobicContact CG-CG2 4.38Å; L553-V557 VanDerWaalsContact O-CG2 3.29Å; L553-V557 WeakPolarHBondContact O-CG2 3.41Å; L553-V557 PolarHBondContact O-N 3.37Å; S554-V557 PolarHBondContact O-N 2.94Å; V557-T559 PolarHBondContact O-N 3.06Å; V557-Y560 PolarHBondContact O-N 3.46Å; V557-Y560 VanDerWaalsContact O-N 3.17Å; V557-W561 HydrophobicContact CB-CE3 4.46Å; V557-W561 HydrophobicContact CB-CZ3 4.43Å; V557-W561 HydrophobicContact CG1-CD2 4.04Å; V557-W561 HydrophobicContact CG1-CE3 3.7Å; V557-W561 HydrophobicContact CG1-CH2 4.11Å; V557-W561 HydrophobicContact CG1-CZ2 4.43Å; V557-W561 HydrophobicContact CG1-CZ3 3.74Å; V557-W561 PolarHBondContact O-N 2.9Å; V557-I606 HydrophobicContact CG2-CG2 4.17Å
558	M	98	Very high	97	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-60	-34.5	176.7	-71.5	-167.1	-68.9	0	0	112.8	I223 L224 Y227 V530 M535 S554 T562	I223-M558 HydrophobicContact CG2-CE 4.28Å; I223-M558 HydrophobicContact CG2-SD 4.27Å; L224-M558 HydrophobicContact CB-SD 4.4Å; L224-M558 HydrophobicContact CD1-CB 4.18Å; L224-M558 HydrophobicContact CD1-CG 3.87Å; L224-M558 HydrophobicContact CD1-SD 4.06Å; Y227-M558 HydrophobicContact CD1-CB 3.63Å; Y227-M558 HydrophobicContact CD1-CE 3.96Å; Y227-M558 HydrophobicContact CD1-SD 4.24Å; Y227-M558 HydrophobicContact CD2-CE 4.02Å; Y227-M558 HydrophobicContact CE1-CB 3.74Å; Y227-M558 HydrophobicContact CE1-CE 4.41Å; Y227-M558 HydrophobicContact CE2-CE 4.45Å; Y227-M558 HydrophobicContact CG-CE 3.76Å; Y227-M558 HydrophobicContact CG-SD 4.28Å; V530-M558 VanDerWaalsContact O-CG 3.27Å; V530-M558 WeakPolarHBondContact O-CG 3.47Å; M535-M558 HydrophobicContact CE-CE 3.14Å; M535-M558 HydrophobicContact CG-CE 4.48Å; M535-M558 HydrophobicContact SD-CE 3.57Å; M535-M558 VanDerWaalsContact SD-CE 3.57Å; S554-M558 WeakPolarHBondContact O-CB 3.35Å; S554-M558 WeakPolarHBondContact O-CG 3.4Å; S554-M558 PolarHBondContact O-N 3.2Å; M558-T562 VanDerWaalsContact O-CB 3.28Å; M558-T562 WeakPolarHBondContact O-CB 3.3Å; M558-T562 WeakPolarHBondContact O-CG2 3.34Å; M558-T562 PolarHBondContact O-N 3.01Å; M558-T562 PolarHBondContact O-OG1 3.29Å
559	T	97.7	Very high	97.2	Very high	5 Å²	5	9.8 Å²	9.8	3%	0.031	6%	0.055	C	C	.	.	H	α-helix	trans	-63	-51.6	174.5	-63.9	0	0	0	0	110.9	Y227 A555 V556 V557 W561 T562 N563 V574	Y227-T559 PolarHBondContact OH-OG1 3.27Å; A555-T559 WeakPolarHBondContact O-CB 3.4Å; A555-T559 PolarHBondContact O-N 3.17Å; A555-T559 PolarHBondContact O-OG1 3.07Å; V556-T559 WeakPolarHBondContact O-CB 3.4Å; V556-T559 PolarHBondContact O-N 2.73Å; V557-T559 PolarHBondContact O-N 3.06Å; T559-W561 PolarHBondContact O-N 3.21Å; T559-T562 PolarHBondContact O-N 3.06Å; T559-T562 PolarHBondContact O-OG1 2.85Å; T559-N563 WeakPolarHBondContact O-CB 3.43Å; T559-N563 PolarHBondContact O-N 3.49Å; T559-V574 HydrophobicContact CG2-CB 4.19Å; T559-V574 HydrophobicContact CG2-CG1 4.16Å
560	Y	98.5	Very high	97.4	Very high	2 Å²	2	7.9 Å²	7.9	1%	0.008	5%	0.045	C	C	.	.	H	α-helix	trans	-60.8	-45.8	178.4	-73.8	-53.8	0	0	0	112.7	V556 V557 N563 F564 P570 Q576 F588 V591 W593 L604	V556-Y560 HydrophobicContact CG1-CD2 3.75Å; V556-Y560 HydrophobicContact CG1-CE2 3.49Å; V556-Y560 VanDerWaalsContact CG1-CE2 3.49Å; V556-Y560 WeakPolarHBondContact O-CD2 2.96Å; V556-Y560 PolarHBondContact O-N 3.4Å; V557-Y560 PolarHBondContact O-N 3.46Å; V557-Y560 VanDerWaalsContact O-N 3.17Å; Y560-N563 PolarHBondContact O-N 3.45Å; Y560-F564 WeakPolarHBondContact O-CB 3.42Å; Y560-F564 PolarHBondContact O-N 3.47Å; Y560-P570 HydrophobicContact CD1-CB 3.89Å; Y560-P570 VanDerWaalsContact CD1-O 3.31Å; Y560-P570 WeakPolarHBondContact CD1-O 3.43Å; Y560-P570 HydrophobicContact CG-CB 4.43Å; Y560-Q576 VanDerWaalsContact CD2-NE2 3.27Å; Y560-Q576 HydrophobicContact CE1-CG 3.99Å; Y560-Q576 HydrophobicContact CE2-CG 4.45Å; Y560-Q576 VanDerWaalsContact CZ-NE2 3.3Å; Y560-F588 AromaticContact CE2-CD1 3.68Å; Y560-F588 HydrophobicContact CE2-CD1 3.68Å; Y560-F588 HydrophobicContact CE2-CE1 4.08Å; Y560-F588 HydrophobicContact CE2-CG 4.41Å; Y560-F588 WeakPolarHBondContact OH-CD1 3.33Å; Y560-V591 PolarHBondContact OH-O 3.37Å; Y560-W593 AromaticContact CD1-CE3 3.96Å; Y560-W593 HydrophobicContact CD1-CE3 3.96Å; Y560-W593 HydrophobicContact CD2-CE3 4.31Å; Y560-W593 HydrophobicContact CE1-CB 4.31Å; Y560-W593 HydrophobicContact CE1-CE3 4.41Å; Y560-W593 AromaticContact CG-CE3 3.91Å; Y560-W593 HydrophobicContact CG-CE3 3.91Å; Y560-W593 HydrophobicContact CG-CZ3 4.17Å; Y560-L604 HydrophobicContact CD2-CD2 4.23Å; Y560-L604 HydrophobicContact CE2-CD2 3.76Å
561	W	98.7	Very high	97.5	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-63.6	-45.5	-179.8	-93	-119.6	0	0	0	111.7	M203 I311 Q313 M402 Y504 V530 V557 T559 F564 A565 W593 I606	M203-W561 HydrophobicContact CE-CB 4.33Å; I311-W561 HydrophobicContact CD1-CB 4.46Å; I311-W561 HydrophobicContact CD1-CG 4.07Å; Q313-W561 HydrophobicContact CG-CZ2 4.49Å; M402-W561 HydrophobicContact SD-CD2 4.12Å; M402-W561 HydrophobicContact SD-CE3 4.15Å; M402-W561 HydrophobicContact SD-CH2 4.42Å; M402-W561 HydrophobicContact SD-CZ2 4.37Å; M402-W561 HydrophobicContact SD-CZ3 4.32Å; Y504-W561 HydrophobicContact CD1-CH2 4.14Å; Y504-W561 HydrophobicContact CE1-CH2 4.01Å; Y504-W561 AromaticContact CE1-CZ2 3.98Å; Y504-W561 HydrophobicContact CE1-CZ2 3.98Å; V530-W561 HydrophobicContact CG1-CG 4.43Å; V530-W561 HydrophobicContact CG2-CD2 4.43Å; V530-W561 HydrophobicContact CG2-CZ2 4Å; V557-W561 HydrophobicContact CB-CE3 4.46Å; V557-W561 HydrophobicContact CB-CZ3 4.43Å; V557-W561 HydrophobicContact CG1-CD2 4.04Å; V557-W561 HydrophobicContact CG1-CE3 3.7Å; V557-W561 HydrophobicContact CG1-CH2 4.11Å; V557-W561 HydrophobicContact CG1-CZ2 4.43Å; V557-W561 HydrophobicContact CG1-CZ3 3.74Å; V557-W561 PolarHBondContact O-N 2.9Å; T559-W561 PolarHBondContact O-N 3.21Å; W561-F564 PolarHBondContact O-N 2.82Å; W561-A565 PolarHBondContact O-N 2.88Å; W561-W593 HydrophobicContact CZ3-CH2 4.37Å; W561-W593 HydrophobicContact CZ3-CZ3 4.14Å; W561-I606 HydrophobicContact CH2-CD1 4.02Å; W561-I606 HydrophobicContact CZ3-CD1 4.02Å
562	T	98.3	Very high	97.5	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.012	8%	0.075	C	C	.	.	H	α-helix	trans	-75.9	-30.2	-178.1	64.9	0	0	0	0	112.1	M203 L224 V230 M558 T559 A565 K566	M203-T562 HydrophobicContact SD-CG2 4.08Å; L224-T562 HydrophobicContact CD1-CG2 3.55Å; V230-T562 HydrophobicContact CG1-CG2 4.39Å; V230-T562 HydrophobicContact CG2-CG2 4.09Å; M558-T562 VanDerWaalsContact O-CB 3.28Å; M558-T562 WeakPolarHBondContact O-CB 3.3Å; M558-T562 WeakPolarHBondContact O-CG2 3.34Å; M558-T562 PolarHBondContact O-N 3.01Å; M558-T562 PolarHBondContact O-OG1 3.29Å; T559-T562 PolarHBondContact O-N 3.06Å; T559-T562 PolarHBondContact O-OG1 2.85Å; T562-A565 PolarHBondContact O-N 2.94Å; T562-K566 WeakPolarHBondContact O-CB 3.39Å; T562-K566 WeakPolarHBondContact O-CD 3.49Å; T562-K566 WeakPolarHBondContact O-CG 3.49Å; T562-K566 PolarHBondContact O-N 2.74Å; T562-K566 PolarHBondContact OG1-NZ 2.98Å
563	N	98.1	Very high	97.5	Very high	1 Å²	1	17 Å²	17	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-62.1	-47.2	170	-85.2	-3.2	0	0	0	111.7	T559 Y560 A565 K566 T567 D569 P570 K572 P573 V574	T559-N563 WeakPolarHBondContact O-CB 3.43Å; T559-N563 PolarHBondContact O-N 3.49Å; Y560-N563 PolarHBondContact O-N 3.45Å; N563-A565 VanDerWaalsContact C-N 3.32Å; N563-A565 PolarHBondContact O-N 3.13Å; N563-K566 WeakPolarHBondContact O-CA 3.19Å; N563-K566 WeakPolarHBondContact O-CB 3.27Å; N563-K566 PolarHBondContact O-N 3.43Å; N563-T567 PolarHBondContact O-N 3.42Å; N563-T567 PolarHBondContact O-OG1 2.88Å; N563-D569 CarbonylContact C-O 3.47Å; N563-P570 WeakPolarHBondContact CB-O 3.44Å; N563-P570 PolarHBondContact ND2-O 2.84Å; N563-K572 CarbonylContact C-O 3.53Å; N563-K572 WeakPolarHBondContact CA-O 3.45Å; N563-K572 WeakPolarHBondContact CB-O 3.35Å; N563-K572 VanDerWaalsContact CG-C 3.43Å; N563-K572 VanDerWaalsContact O-O 3.1Å; N563-K572 PolarHBondContact OD1-O 2.8Å; N563-P573 WeakPolarHBondContact OD1-CD 3.37Å; N563-V574 PolarHBondContact ND2-O 3.3Å; N563-V574 WeakPolarHBondContact OD1-CB 3.37Å; N563-V574 PolarHBondContact OD1-N 3.27Å; N563-V574 VanDerWaalsContact OD1-N 3.16Å
564	F	98.6	Very high	97.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-58.7	-44.9	173.8	-176.9	-103.2	0	0	0	111.4	T283 R309 A310 I311 D400 M402 Y502 Y560 W561 K566 T567 G568 P570	T283-F564 HydrophobicContact CG2-CD1 4.36Å; T283-F564 HydrophobicContact CG2-CE1 4.41Å; R309-F564 HydrophobicContact CB-CE1 3.84Å; R309-F564 HydrophobicContact CB-CZ 4.23Å; R309-F564 WeakPolarHBondContact CD-O 3.42Å; A310-F564 WeakPolarHBondContact O-CE1 3.29Å; I311-F564 HydrophobicContact CD1-CD1 3.86Å; I311-F564 HydrophobicContact CD1-CE1 4.43Å; I311-F564 HydrophobicContact CG1-CD1 3.67Å; I311-F564 HydrophobicContact CG1-CE1 3.73Å; D400-F564 HydrophobicContact CB-CE2 3.89Å; D400-F564 HydrophobicContact CB-CZ 3.72Å; D400-F564 WeakPolarHBondContact O-CZ 3.49Å; M402-F564 HydrophobicContact CB-CD1 4.22Å; M402-F564 HydrophobicContact CB-CD2 4.43Å; M402-F564 HydrophobicContact CB-CE1 3.94Å; M402-F564 HydrophobicContact CB-CE2 4.18Å; M402-F564 HydrophobicContact CB-CG 4.43Å; M402-F564 HydrophobicContact CB-CZ 3.91Å; M402-F564 HydrophobicContact CE-CB 3.55Å; M402-F564 HydrophobicContact CE-CD1 4.23Å; M402-F564 HydrophobicContact CE-CD2 3.99Å; M402-F564 HydrophobicContact CE-CG 3.66Å; Y502-F564 HydrophobicContact CD2-CD2 4.33Å; Y502-F564 HydrophobicContact CD2-CE2 4.01Å; Y502-F564 HydrophobicContact CE2-CE2 4.35Å; Y560-F564 WeakPolarHBondContact O-CB 3.42Å; Y560-F564 PolarHBondContact O-N 3.47Å; W561-F564 PolarHBondContact O-N 2.82Å; F564-K566 VanDerWaalsContact C-N 3.26Å; F564-K566 PolarHBondContact O-N 2.87Å; F564-T567 PolarHBondContact O-N 2.92Å; F564-G568 WeakPolarHBondContact CD2-O 3.4Å; F564-G568 WeakPolarHBondContact CE2-O 3.19Å; F564-G568 WeakPolarHBondContact O-CA 3.35Å; F564-G568 PolarHBondContact O-N 3.39Å; F564-P570 HydrophobicContact CB-CB 4.38Å
565	A	98.2	Very high	97.1	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63.3	-29.5	174.5	0	0	0	0	0	113.7	M203 T283 R309 W561 T562 N563	M203-A565 HydrophobicContact CE-CB 4.28Å; M203-A565 HydrophobicContact CG-CB 3.63Å; M203-A565 HydrophobicContact SD-CB 3.75Å; T283-A565 HydrophobicContact CG2-CB 4.37Å; T283-A565 WeakPolarHBondContact OG1-CA 3.4Å; R309-A565 PolarHBondContact NH1-O 3.06Å; W561-A565 PolarHBondContact O-N 2.88Å; T562-A565 PolarHBondContact O-N 2.94Å; N563-A565 VanDerWaalsContact C-N 3.32Å; N563-A565 PolarHBondContact O-N 3.13Å
566	K	97.2	Very high	96.9	Very high	34 Å²	34	22.8 Å²	22.8	15%	0.148	13%	0.125	C	C	.	.	H	α-helix	trans	-74.9	-43.1	177.6	-73.6	155.9	-168.3	160.7	0	112.5	P201 G228 R281 T562 N563 F564 P573	P201-K566 HydrophobicContact CG-CB 4.22Å; P201-K566 HydrophobicContact CG-CG 3.55Å; G228-K566 WeakPolarHBondContact O-CE 3.36Å; G228-K566 PolarHBondContact O-NZ 3.14Å; R281-K566 WeakPolarHBondContact CD-O 3.28Å; T562-K566 WeakPolarHBondContact O-CB 3.39Å; T562-K566 WeakPolarHBondContact O-CD 3.49Å; T562-K566 WeakPolarHBondContact O-CG 3.49Å; T562-K566 PolarHBondContact O-N 2.74Å; T562-K566 PolarHBondContact OG1-NZ 2.98Å; N563-K566 WeakPolarHBondContact O-CA 3.19Å; N563-K566 WeakPolarHBondContact O-CB 3.27Å; N563-K566 PolarHBondContact O-N 3.43Å; F564-K566 VanDerWaalsContact C-N 3.26Å; F564-K566 PolarHBondContact O-N 2.87Å; K566-P573 HydrophobicContact CD-CG 4.15Å
567	T	97	Very high	96.5	Very high	62 Å²	62	26.2 Å²	26.2	38%	0.38	14%	0.143	S	C	.	.	H	α-helix	trans	-133.2	-14.1	-163.2	68.1	0	0	0	0	115.9	N563 F564 D569 K572	N563-T567 PolarHBondContact O-N 3.42Å; N563-T567 PolarHBondContact O-OG1 2.88Å; F564-T567 PolarHBondContact O-N 2.92Å; T567-D569 PolarHBondContact OG1-N 2.68Å; T567-D569 VanDerWaalsContact OG1-N 3.13Å; T567-D569 PolarHBondContact OG1-O 2.94Å; T567-D569 VanDerWaalsContact OG1-O 3.09Å; T567-K572 HydrophobicContact CG2-CB 4.3Å; T567-K572 PolarHBondContact OG1-O 3.1Å
568	G	96.8	Very high	96	Very high	5 Å²	5	29.1 Å²	29.1	5%	0.052	16%	0.161	C	C	.	.	S	Bend	trans	83.1	-3.4	-167.6	0	0	0	0	0	113.9	R309 D400 Y502 F564	R309-G568 VanDerWaalsContact NE-CA 3.32Å; R309-G568 VanDerWaalsContact NE-N 3.17Å; D400-G568 WeakPolarHBondContact OD2-CA 3.44Å; Y502-G568 WeakPolarHBondContact CE2-O 3.07Å; F564-G568 WeakPolarHBondContact CD2-O 3.4Å; F564-G568 WeakPolarHBondContact CE2-O 3.19Å; F564-G568 WeakPolarHBondContact O-CA 3.35Å; F564-G568 PolarHBondContact O-N 3.39Å
569	D	97.7	Very high	95.5	Very high	30 Å²	30	32.9 Å²	32.9	16%	0.16	18%	0.178	C	C	.	.			trans	-121.3	117.9	176.9	-174.1	-14.2	0	0	0	109.3	Y502 N563 T567 N571 K572	Y502-D569 PolarHBondContact OH-OD1 2.95Å; N563-D569 CarbonylContact C-O 3.47Å; T567-D569 PolarHBondContact OG1-N 2.68Å; T567-D569 VanDerWaalsContact OG1-N 3.13Å; T567-D569 PolarHBondContact OG1-O 2.94Å; T567-D569 VanDerWaalsContact OG1-O 3.09Å; D569-N571 PolarHBondContact O-N 2.87Å; D569-N571 WeakPolarHBondContact OD1-CB 3.32Å; D569-N571 PolarHBondContact OD1-N 3.29Å; D569-N571 PolarHBondContact OD1-ND2 3.4Å; D569-K572 HydrophobicContact CB-CB 4.36Å; D569-K572 HydrophobicContact CB-CD 4.46Å; D569-K572 HydrophobicContact CB-CG 4.48Å; D569-K572 PolarHBondContact O-N 3.03Å; D569-K572 VanDerWaalsContact O-N 3.1Å; D569-K572 VanDerWaalsContact O-O 3.09Å; D569-K572 IonicContact OD2-NZ 3.66Å
570	P	98.2	Very high	94.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-17.4	-179.5	27.8	-34.1	0	0	0	112.8	M402 Y502 Y560 N563 F564 W593	M402-P570 HydrophobicContact CE-CB 3.7Å; M402-P570 HydrophobicContact CE-CG 4.23Å; Y502-P570 HydrophobicContact CD1-CG 3.54Å; Y502-P570 HydrophobicContact CD2-CG 4.4Å; Y502-P570 HydrophobicContact CE1-CG 3.61Å; Y502-P570 HydrophobicContact CE2-CG 4.47Å; Y502-P570 HydrophobicContact CG-CG 3.94Å; Y560-P570 HydrophobicContact CD1-CB 3.89Å; Y560-P570 VanDerWaalsContact CD1-O 3.31Å; Y560-P570 WeakPolarHBondContact CD1-O 3.43Å; Y560-P570 HydrophobicContact CG-CB 4.43Å; N563-P570 WeakPolarHBondContact CB-O 3.44Å; N563-P570 PolarHBondContact ND2-O 2.84Å; F564-P570 HydrophobicContact CB-CB 4.38Å; P570-W593 HydrophobicContact CB-CD2 4.38Å; P570-W593 HydrophobicContact CB-CE3 3.74Å; P570-W593 HydrophobicContact CB-CZ3 4.22Å; P570-W593 HydrophobicContact CG-CB 4.1Å; P570-W593 HydrophobicContact CG-CD2 3.92Å; P570-W593 HydrophobicContact CG-CE3 3.8Å; P570-W593 HydrophobicContact CG-CG 4.09Å
571	N	97.5	Very high	93.9	Very high	47 Å²	47	41.7 Å²	41.7	25%	0.251	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-6.8	179.4	-52.3	-74.9	0	0	0	113.5	D569 W593	D569-N571 PolarHBondContact O-N 2.87Å; D569-N571 WeakPolarHBondContact OD1-CB 3.32Å; D569-N571 PolarHBondContact OD1-N 3.29Å; D569-N571 PolarHBondContact OD1-ND2 3.4Å; N571-W593 PolarHBondContact ND2-O 2.88Å; N571-W593 PolarHBondContact OD1-N 2.94Å
572	K	95.1	Very high	93.2	Very high	122 Å²	122	41.9 Å²	41.9	53%	0.53	22%	0.218	S	C	.	.	S	Bend	trans	-132.8	145.2	-172.1	-62.6	-179.7	-175.1	174.1	0	112.9	N563 T567 D569	N563-K572 CarbonylContact C-O 3.53Å; N563-K572 WeakPolarHBondContact CA-O 3.45Å; N563-K572 WeakPolarHBondContact CB-O 3.35Å; N563-K572 VanDerWaalsContact CG-C 3.43Å; N563-K572 VanDerWaalsContact O-O 3.1Å; N563-K572 PolarHBondContact OD1-O 2.8Å; T567-K572 HydrophobicContact CG2-CB 4.3Å; T567-K572 PolarHBondContact OG1-O 3.1Å; D569-K572 HydrophobicContact CB-CB 4.36Å; D569-K572 HydrophobicContact CB-CD 4.46Å; D569-K572 HydrophobicContact CB-CG 4.48Å; D569-K572 PolarHBondContact O-N 3.03Å; D569-K572 VanDerWaalsContact O-N 3.1Å; D569-K572 VanDerWaalsContact O-O 3.09Å; D569-K572 IonicContact OD2-NZ 3.66Å
573	P	95.3	Very high	92.6	Very high	48 Å²	48	45 Å²	45	31%	0.312	24%	0.237	S	C	.	.	S	Bend	cis	-93.1	-11.5	3.1	36	-34.5	0	0	0	113.4	I194 N563 K566 P575	I194-P573 HydrophobicContact CG2-CB 3.89Å; I194-P573 HydrophobicContact CG2-CG 4.08Å; N563-P573 WeakPolarHBondContact OD1-CD 3.37Å; K566-P573 HydrophobicContact CD-CG 4.15Å; P573-P575 WeakPolarHBondContact O-CD 3.39Å
574	V	92.8	Very high	92.1	Very high	33 Å²	33	50.1 Å²	50.1	20%	0.2	26%	0.259	C	S	.	.	S	Bend	trans	-89.5	116.5	-172.9	-175	0	0	0	0	109.7	T559 N563	T559-V574 HydrophobicContact CG2-CB 4.19Å; T559-V574 HydrophobicContact CG2-CG1 4.16Å; N563-V574 PolarHBondContact ND2-O 3.3Å; N563-V574 WeakPolarHBondContact OD1-CB 3.37Å; N563-V574 PolarHBondContact OD1-N 3.27Å; N563-V574 VanDerWaalsContact OD1-N 3.16Å
575	P	93.8	Very high	91.7	Very high	71 Å²	71	53.3 Å²	53.3	46%	0.461	29%	0.285	S	S	.	.			trans	-68.7	157.4	173.8	27.9	-34.3	0	0	0	111.8	P573 D577	P573-P575 WeakPolarHBondContact O-CD 3.39Å; P575-D577 WeakPolarHBondContact CG-OD2 3.35Å; P575-D577 PolarHBondContact O-N 3.13Å
576	Q	92.9	Very high	91.5	Very high	16 Å²	16	53.6 Å²	53.6	8%	0.075	29%	0.287	C	S	.	.			trans	-78	49.8	-178.9	-73.3	-71.3	-2.4	0	0	112.7	V556 Y560 N586 F588 E589	V556-Q576 PolarHBondContact O-NE2 3.36Å; V556-Q576 VanDerWaalsContact O-NE2 3.13Å; Y560-Q576 VanDerWaalsContact CD2-NE2 3.27Å; Y560-Q576 HydrophobicContact CE1-CG 3.99Å; Y560-Q576 HydrophobicContact CE2-CG 4.45Å; Y560-Q576 VanDerWaalsContact CZ-NE2 3.3Å; Q576-N586 VanDerWaalsContact C-ND2 3.34Å; Q576-N586 PolarHBondContact O-ND2 3.07Å; Q576-N586 PolarHBondContact OE1-ND2 3.46Å; Q576-F588 HydrophobicContact CB-CB 4.32Å; Q576-F588 WeakPolarHBondContact CB-O 3.36Å; Q576-F588 HydrophobicContact CG-CB 4.32Å; Q576-E589 WeakPolarHBondContact O-CA 3.43Å; Q576-E589 WeakPolarHBondContact O-CG 3.4Å
577	D	88.5	Confident	91.2	Very high	72 Å²	72	57.5 Å²	57.5	39%	0.385	30%	0.301	S	S	.	.			trans	-76.6	150.6	-178.7	-45.8	-44.3	0	0	0	113.4	P575 K579 H582	P575-D577 WeakPolarHBondContact CG-OD2 3.35Å; P575-D577 PolarHBondContact O-N 3.13Å; D577-K579 PolarHBondContact O-N 2.96Å; D577-K579 IonicContact OD2-NZ 3.72Å; D577-H582 PolarHBondContact O-CE1 3.32Å
578	T	88.1	Confident	91.1	Very high	62 Å²	62	54.6 Å²	54.6	38%	0.38	28%	0.283	S	S	.	.			trans	-67.8	112.5	165.3	-61.9	0	0	0	0	111.7	A585 N586 E589	T578-A585 WeakPolarHBondContact OG1-CA 3.28Å; T578-N586 PolarHBondContact OG1-N 2.7Å; T578-E589 WeakPolarHBondContact CA-OE1 3.44Å; T578-E589 WeakPolarHBondContact CB-OE1 3.37Å; T578-E589 PolarHBondContact N-OE1 2.81Å; T578-E589 PolarHBondContact OG1-OE1 3.13Å
579	K	85.6	Confident	90.9	Very high	79 Å²	79	59.4 Å²	59.4	34%	0.343	30%	0.304	S	S	.	.			trans	-116.4	159.8	171.7	-64.8	165.7	179.8	141.9	0	111.4	D577 I581 H582	D577-K579 PolarHBondContact O-N 2.96Å; D577-K579 IonicContact OD2-NZ 3.72Å; K579-I581 HydrophobicContact CB-CG2 4.13Å; K579-I581 PolarHBondContact O-N 3.41Å; K579-H582 WeakPolarHBondContact CA-ND1 3.42Å; K579-H582 PolarHBondContact N-CE1 3.1Å; K579-H582 PolarHBondContact N-ND1 2.56Å; K579-H582 WeakPolarHBondContact O-CB 3.09Å; K579-H582 PolarHBondContact O-N 2.87Å; K579-H582 PolarHBondContact O-ND1 2.89Å
580	F	81.7	Confident	90.6	Very high	171 Å²	171	67.2 Å²	67.2	75%	0.75	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-48.5	-37.1	179.4	-75.3	-71.6	0	0	0	114.1	I62 H582 T583	I62-F580 HydrophobicContact CD1-CB 4.28Å; F580-H582 PolarHBondContact O-N 2.97Å; F580-T583 PolarHBondContact O-N 2.72Å; F580-T583 VanDerWaalsContact O-N 3.13Å
581	I	82.8	Confident	90.4	Very high	21 Å²	21	68.3 Å²	68.3	11%	0.108	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-61.1	-23.1	179.8	-165.4	151.7	0	0	0	114.3	I62 L63 Y227 M535 V551 K579 T583	I62-I581 HydrophobicContact CD1-CB 4.36Å; I62-I581 HydrophobicContact CG2-CB 4.42Å; I62-I581 HydrophobicContact CG2-CD1 4.09Å; L63-I581 HydrophobicContact CD2-CD1 3.59Å; L63-I581 HydrophobicContact CG-CD1 4.12Å; Y227-I581 HydrophobicContact CD2-CD1 3.61Å; Y227-I581 HydrophobicContact CD2-CG1 4.36Å; Y227-I581 HydrophobicContact CE2-CD1 3.85Å; Y227-I581 HydrophobicContact CE2-CG1 4.19Å; Y227-I581 HydrophobicContact CE2-CG2 3.89Å; M535-I581 HydrophobicContact CE-CD1 4.34Å; M535-I581 HydrophobicContact CE-CG1 3.97Å; M535-I581 HydrophobicContact SD-CD1 4.02Å; M535-I581 HydrophobicContact SD-CG1 4.03Å; V551-I581 WeakPolarHBondContact CG1-O 3.39Å; K579-I581 HydrophobicContact CB-CG2 4.13Å; K579-I581 PolarHBondContact O-N 3.41Å; I581-T583 VanDerWaalsContact C-N 3.31Å; I581-T583 PolarHBondContact O-N 3.21Å
582	H	83.3	Confident	90.4	Very high	3 Å²	3	69.1 Å²	69.1	1%	0.014	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-75.6	-21.4	179	-59.3	83.3	0	0	0	112.3	M552 A555 D577 K579 F580 K584	M552-H582 WeakPolarHBondContact CA-O 3.22Å; M552-H582 HydrophobicContact CB-CB 4.34Å; M552-H582 WeakPolarHBondContact CB-O 3.3Å; M552-H582 HydrophobicContact CG-CB 4.25Å; M552-H582 PolarHBondContact N-O 2.99Å; A555-H582 WeakPolarHBondContact CB-CD2 3.41Å; D577-H582 PolarHBondContact O-CE1 3.32Å; K579-H582 WeakPolarHBondContact CA-ND1 3.42Å; K579-H582 PolarHBondContact N-CE1 3.1Å; K579-H582 PolarHBondContact N-ND1 2.56Å; K579-H582 WeakPolarHBondContact O-CB 3.09Å; K579-H582 PolarHBondContact O-N 2.87Å; K579-H582 PolarHBondContact O-ND1 2.89Å; F580-H582 PolarHBondContact O-N 2.97Å; H582-K584 VanDerWaalsContact CB-O 3.27Å; H582-K584 WeakPolarHBondContact CB-O 2.98Å; H582-K584 PolarHBondContact O-N 3.44Å
583	T	85.7	Confident	90.5	Very high	69 Å²	69	63.4 Å²	63.4	42%	0.423	34%	0.335	S	S	.	.	S	Bend	trans	60.7	-10.5	-175	78.5	0	0	0	0	116.4	K548 V551 F580 I581	K548-T583 WeakPolarHBondContact CB-OG1 3.02Å; K548-T583 PolarHBondContact O-OG1 3.45Å; V551-T583 HydrophobicContact CB-CG2 4.36Å; V551-T583 HydrophobicContact CG1-CG2 3.82Å; F580-T583 PolarHBondContact O-N 2.72Å; F580-T583 VanDerWaalsContact O-N 3.13Å; I581-T583 VanDerWaalsContact C-N 3.31Å; I581-T583 PolarHBondContact O-N 3.21Å
584	K	87.8	Confident	90.6	Very high	107 Å²	107	63.3 Å²	63.3	47%	0.465	34%	0.335	S	S	.	.	S	Bend	trans	-143.7	164.1	177.7	-80.3	-74.8	-171.8	164.6	0	109.1	K548 M552 H582 N586	K548-K584 HydrophobicContact CB-CG 3.77Å; M552-K584 HydrophobicContact CB-CB 4.15Å; M552-K584 HydrophobicContact CG-CB 4.41Å; H582-K584 VanDerWaalsContact CB-O 3.27Å; H582-K584 WeakPolarHBondContact CB-O 2.98Å; H582-K584 PolarHBondContact O-N 3.44Å; K584-N586 PolarHBondContact O-N 3.08Å
585	A	90.1	Very high	90.8	Very high	67 Å²	67	67.1 Å²	67.1	55%	0.554	35%	0.349	S	S	*	.			trans	-60.4	132.6	171.1	0	0	0	0	0	110.6	T578 R587	T578-A585 WeakPolarHBondContact OG1-CA 3.28Å; A585-R587 PolarHBondContact O-N 2.93Å
586	N	92.5	Very high	91	Very high	7 Å²	7	64.3 Å²	64.3	4%	0.037	33%	0.329	C	S	.	.			trans	-72.1	115.8	176.2	-174	-12.9	0	0	0	109	V556 Q576 T578 K584 F588 E589	V556-N586 WeakPolarHBondContact CG2-OD1 3.29Å; Q576-N586 VanDerWaalsContact C-ND2 3.34Å; Q576-N586 PolarHBondContact O-ND2 3.07Å; Q576-N586 PolarHBondContact OE1-ND2 3.46Å; T578-N586 PolarHBondContact OG1-N 2.7Å; K584-N586 PolarHBondContact O-N 3.08Å; N586-F588 PolarHBondContact O-N 3Å; N586-F588 WeakPolarHBondContact OD1-CB 3.3Å; N586-F588 PolarHBondContact OD1-N 3.43Å; N586-E589 HydrophobicContact CB-CG 4.16Å
587	R	92.8	Very high	91.2	Very high	116 Å²	116	65.8 Å²	65.8	44%	0.438	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-5	-178.5	-59.5	-174.4	-173	-166.1	2.7	113.3	M552 A585 L608 P610	M552-R587 HydrophobicContact CE-CB 4.46Å; M552-R587 HydrophobicContact CE-CG 4.01Å; A585-R587 PolarHBondContact O-N 2.93Å; R587-L608 WeakPolarHBondContact CD-O 3.12Å; R587-L608 PolarHBondContact NH1-O 3.19Å; R587-P610 HydrophobicContact CB-CG 3.91Å; R587-P610 WeakPolarHBondContact O-CG 2.99Å
588	F	95.1	Very high	91.4	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	5.8	-177.8	-67.1	-112.1	0	0	0	112.8	L553 V556 Y560 Q576 N586 E590 V591 L604 I606 P610	L553-F588 HydrophobicContact CD1-CE2 3.83Å; L553-F588 HydrophobicContact CD1-CZ 3.88Å; V556-F588 HydrophobicContact CB-CD2 4.21Å; V556-F588 HydrophobicContact CB-CE2 4.39Å; V556-F588 HydrophobicContact CG1-CB 4.04Å; V556-F588 HydrophobicContact CG1-CD1 3.75Å; V556-F588 HydrophobicContact CG1-CD2 3.57Å; V556-F588 HydrophobicContact CG1-CE1 3.91Å; V556-F588 HydrophobicContact CG1-CE2 3.78Å; V556-F588 HydrophobicContact CG1-CG 3.54Å; V556-F588 HydrophobicContact CG1-CZ 3.91Å; V556-F588 HydrophobicContact CG2-CB 4.37Å; V556-F588 HydrophobicContact CG2-CD2 3.77Å; V556-F588 HydrophobicContact CG2-CE2 4.3Å; V556-F588 HydrophobicContact CG2-CG 4.26Å; Y560-F588 AromaticContact CE2-CD1 3.68Å; Y560-F588 HydrophobicContact CE2-CD1 3.68Å; Y560-F588 HydrophobicContact CE2-CE1 4.08Å; Y560-F588 HydrophobicContact CE2-CG 4.41Å; Y560-F588 WeakPolarHBondContact OH-CD1 3.33Å; Q576-F588 HydrophobicContact CB-CB 4.32Å; Q576-F588 WeakPolarHBondContact CB-O 3.36Å; Q576-F588 HydrophobicContact CG-CB 4.32Å; N586-F588 PolarHBondContact O-N 3Å; N586-F588 WeakPolarHBondContact OD1-CB 3.3Å; N586-F588 PolarHBondContact OD1-N 3.43Å; F588-E590 PolarHBondContact O-N 3.07Å; F588-V591 HydrophobicContact CB-CB 4.3Å; F588-V591 HydrophobicContact CD1-CB 4.33Å; F588-V591 HydrophobicContact CD1-CG1 4.38Å; F588-V591 PolarHBondContact O-N 2.98Å; F588-L604 HydrophobicContact CE1-CD1 4.45Å; F588-L604 HydrophobicContact CE1-CD2 4.34Å; F588-I606 HydrophobicContact CZ-CG2 4.24Å; F588-P610 HydrophobicContact CD1-CB 3.47Å; F588-P610 VanDerWaalsContact CD1-CB 3.47Å; F588-P610 HydrophobicContact CD1-CG 4.03Å; F588-P610 HydrophobicContact CD2-CB 3.85Å; F588-P610 HydrophobicContact CD2-CG 3.62Å; F588-P610 HydrophobicContact CE1-CB 3.24Å; F588-P610 HydrophobicContact CE1-CG 4.13Å; F588-P610 HydrophobicContact CE2-CB 3.61Å; F588-P610 HydrophobicContact CE2-CG 3.69Å; F588-P610 HydrophobicContact CG-CB 3.81Å; F588-P610 HydrophobicContact CG-CG 3.82Å; F588-P610 HydrophobicContact CZ-CB 3.33Å; F588-P610 HydrophobicContact CZ-CG 3.98Å
589	E	92.1	Very high	91.8	Very high	106 Å²	106	71.6 Å²	71.6	50%	0.495	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-42.7	179.7	-83.8	178.7	-173.1	0	0	113	Q576 T578 N586	Q576-E589 WeakPolarHBondContact O-CA 3.43Å; Q576-E589 WeakPolarHBondContact O-CG 3.4Å; T578-E589 WeakPolarHBondContact CA-OE1 3.44Å; T578-E589 WeakPolarHBondContact CB-OE1 3.37Å; T578-E589 PolarHBondContact N-OE1 2.81Å; T578-E589 PolarHBondContact OG1-OE1 3.13Å; N586-E589 HydrophobicContact CB-CG 4.16Å
590	E	90.9	Very high	92.3	Very high	194 Å²	194	71.2 Å²	71.2	91%	0.907	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	9	-179.7	-59.6	-177	164.5	0	0	113.2	F588	F588-E590 PolarHBondContact O-N 3.07Å
591	V	95	Very high	93	Very high	23 Å²	23	64.4 Å²	64.4	14%	0.139	33%	0.326	C	S	.	.			trans	-104.4	100.1	-175	-175	0	0	0	0	110.2	Y560 F588 L604 P610	Y560-V591 PolarHBondContact OH-O 3.37Å; F588-V591 HydrophobicContact CB-CB 4.3Å; F588-V591 HydrophobicContact CD1-CB 4.33Å; F588-V591 HydrophobicContact CD1-CG1 4.38Å; F588-V591 PolarHBondContact O-N 2.98Å; V591-L604 HydrophobicContact CG1-CD1 3.5Å; V591-P610 HydrophobicContact CG2-CB 4.31Å; V591-P610 HydrophobicContact CG2-CG 4.22Å
592	A	95.7	Very high	93.8	Very high	64 Å²	64	65.6 Å²	65.6	53%	0.529	33%	0.332	S	S	.	.			trans	-84.9	126.2	169.1	0	0	0	0	0	110.5	S594 V612	A592-S594 PolarHBondContact O-N 3.47Å; A592-V612 WeakPolarHBondContact O-CG2 3.41Å
593	W	97.7	Very high	94.5	Very high	3 Å²	3	65.5 Å²	65.5	1%	0.011	33%	0.332	C	S	.	.			trans	-78	103.2	176.2	-168.9	-12.8	0	0	0	109.9	M402 Y502 F503 Y504 Y560 W561 P570 N571 L604	M402-W593 HydrophobicContact CE-CE3 4.4Å; M402-W593 HydrophobicContact CE-CH2 3.77Å; M402-W593 HydrophobicContact CE-CZ3 3.67Å; M402-W593 HydrophobicContact CG-CH2 3.72Å; M402-W593 HydrophobicContact CG-CZ2 4.1Å; M402-W593 HydrophobicContact SD-CH2 3.52Å; M402-W593 VanDerWaalsContact SD-CH2 3.52Å; M402-W593 HydrophobicContact SD-CZ2 4.45Å; M402-W593 HydrophobicContact SD-CZ3 3.89Å; Y502-W593 AromaticContact CD1-CD1 3.9Å; Y502-W593 HydrophobicContact CD1-CD2 4.45Å; Y502-W593 HydrophobicContact CD1-CG 4.13Å; Y502-W593 WeakPolarHBondContact CE1-O 3.31Å; F503-W593 PolarHBondContact O-NE1 3.26Å; Y504-W593 AromaticContact CD1-CH2 3.93Å; Y504-W593 HydrophobicContact CD1-CH2 3.93Å; Y504-W593 HydrophobicContact CD1-CZ2 4.18Å; Y504-W593 HydrophobicContact CG-CH2 4.26Å; Y504-W593 HydrophobicContact CG-CZ2 4.39Å; Y560-W593 AromaticContact CD1-CE3 3.96Å; Y560-W593 HydrophobicContact CD1-CE3 3.96Å; Y560-W593 HydrophobicContact CD2-CE3 4.31Å; Y560-W593 HydrophobicContact CE1-CB 4.31Å; Y560-W593 HydrophobicContact CE1-CE3 4.41Å; Y560-W593 AromaticContact CG-CE3 3.91Å; Y560-W593 HydrophobicContact CG-CE3 3.91Å; Y560-W593 HydrophobicContact CG-CZ3 4.17Å; W561-W593 HydrophobicContact CZ3-CH2 4.37Å; W561-W593 HydrophobicContact CZ3-CZ3 4.14Å; P570-W593 HydrophobicContact CB-CD2 4.38Å; P570-W593 HydrophobicContact CB-CE3 3.74Å; P570-W593 HydrophobicContact CB-CZ3 4.22Å; P570-W593 HydrophobicContact CG-CB 4.1Å; P570-W593 HydrophobicContact CG-CD2 3.92Å; P570-W593 HydrophobicContact CG-CE3 3.8Å; P570-W593 HydrophobicContact CG-CG 4.09Å; N571-W593 PolarHBondContact ND2-O 2.88Å; N571-W593 PolarHBondContact OD1-N 2.94Å; W593-L604 HydrophobicContact CB-CD2 4.2Å; W593-L604 HydrophobicContact CD2-CB 3.8Å; W593-L604 HydrophobicContact CD2-CD2 3.58Å; W593-L604 HydrophobicContact CD2-CG 4.32Å; W593-L604 HydrophobicContact CE3-CB 4.49Å; W593-L604 HydrophobicContact CE3-CD2 3.49Å; W593-L604 VanDerWaalsContact CE3-CD2 3.49Å; W593-L604 HydrophobicContact CG-CB 3.82Å; W593-L604 HydrophobicContact CG-CD2 3.9Å; W593-L604 HydrophobicContact CG-CG 4.4Å; W593-L604 HydrophobicContact CZ2-CB 4.37Å; W593-L604 HydrophobicContact CZ3-CD2 4.07Å
594	S	97.5	Very high	95.1	Very high	46 Å²	46	62.2 Å²	62.2	32%	0.322	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-68.5	150.2	177.9	-53	0	0	0	0	112.4	A592	A592-S594 PolarHBondContact O-N 3.47Å
595	K	97.5	Very high	95.6	Very high	113 Å²	113	57.8 Å²	57.8	49%	0.491	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-64.9	140.2	172.5	-68.9	-176	178.5	-171.6	0	110.6	T501 Y502	T501-K595 WeakPolarHBondContact O-CA 3.25Å; Y502-K595 HydrophobicContact CE1-CG 3.75Å; Y502-K595 HydrophobicContact CE2-CG 4.27Å; Y502-K595 WeakPolarHBondContact OH-CE 3.46Å
596	Y	98.2	Very high	96	Very high	11 Å²	11	54.6 Å²	54.6	4%	0.043	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-75.5	140.5	170.2	-174.7	-88.9	0	0	0	109.9	A491 D492 A495 T501 F503 Q601 L602	A491-Y596 HydrophobicContact CB-CD1 3.86Å; A491-Y596 HydrophobicContact CB-CE1 3.54Å; A491-Y596 HydrophobicContact CB-CE2 4.47Å; A491-Y596 HydrophobicContact CB-CG 4.46Å; D492-Y596 PolarHBondContact OD1-OH 3.27Å; A495-Y596 HydrophobicContact CB-CD1 4Å; T501-Y596 HydrophobicContact CG2-CD1 4.15Å; T501-Y596 HydrophobicContact CG2-CG 4.41Å; T501-Y596 PolarHBondContact O-N 3.26Å; F503-Y596 HydrophobicContact CB-CD2 3.49Å; F503-Y596 VanDerWaalsContact CB-CD2 3.49Å; F503-Y596 HydrophobicContact CB-CE2 4.15Å; F503-Y596 HydrophobicContact CB-CG 4.06Å; F503-Y596 HydrophobicContact CG-CD2 4.17Å; F503-Y596 HydrophobicContact CG-CE2 4.34Å; Y596-Q601 HydrophobicContact CE2-CB 3.84Å; Y596-Q601 HydrophobicContact CE2-CG 4.19Å; Y596-Q601 PolarHBondContact OH-NE2 3.06Å; Y596-L602 WeakPolarHBondContact CD2-O 3.48Å
597	N	96.1	Very high	96.1	Very high	48 Å²	48	54.3 Å²	54.3	26%	0.257	27%	0.265	S	S	.	.			trans	-146.9	155.9	168.4	72.2	69.7	0	0	0	109.3	R599 D600 Q601	N597-R599 PolarHBondContact O-N 3.21Å; N597-R599 VanDerWaalsContact O-N 3.09Å; N597-R599 WeakPolarHBondContact OD1-CA 3.48Å; N597-R599 WeakPolarHBondContact OD1-CB 3.43Å; N597-R599 PolarHBondContact OD1-N 3.4Å; N597-D600 PolarHBondContact ND2-OD2 3.17Å; N597-D600 PolarHBondContact OD1-N 2.94Å; N597-Q601 VanDerWaalsContact O-CA 3.29Å; N597-Q601 WeakPolarHBondContact O-CA 3.42Å; N597-Q601 PolarHBondContact O-N 3.41Å
598	P	94.2	Very high	96.2	Very high	51 Å²	51	51.1 Å²	51.1	33%	0.331	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-13.8	-174.1	-22.7	35.1	0	0	0	114.9	D492 A495 R496	D492-P598 WeakPolarHBondContact O-CG 3.19Å; A495-P598 HydrophobicContact CB-CG 4.23Å; R496-P598 HydrophobicContact CB-CG 4.37Å
599	R	95.2	Very high	96.2	Very high	205 Å²	205	57.3 Å²	57.3	77%	0.774	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-48.2	-178.7	179.8	-175	179.4	-179.2	0	112.4	N597	N597-R599 PolarHBondContact O-N 3.21Å; N597-R599 VanDerWaalsContact O-N 3.09Å; N597-R599 WeakPolarHBondContact OD1-CA 3.48Å; N597-R599 WeakPolarHBondContact OD1-CB 3.43Å; N597-R599 PolarHBondContact OD1-N 3.4Å
600	D	96.7	Very high	96.4	Very high	71 Å²	71	53.2 Å²	53.2	38%	0.38	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-21.8	-175.8	-53.8	-45.6	0	0	0	112.1	N597 L602 D614 H615	N597-D600 PolarHBondContact ND2-OD2 3.17Å; N597-D600 PolarHBondContact OD1-N 2.94Å; D600-L602 HydrophobicContact CB-CD1 4.46Å; D600-L602 HydrophobicContact CB-CD2 4.28Å; D600-L602 HydrophobicContact CB-CG 3.89Å; D600-L602 PolarHBondContact O-N 2.03Å; D600-L602 VanDerWaalsContact O-N 3.08Å; D600-D614 WeakPolarHBondContact O-CB 3.18Å; D600-H615 PolarHBondContact O-CE1 2.96Å
601	Q	97.1	Very high	96.6	Very high	28 Å²	28	46.7 Å²	46.7	13%	0.131	23%	0.233	C	C	.	.			trans	44.9	41.9	179.5	-61.6	-168	-22.3	0	0	114	D492 Y596 N597 H615	D492-Q601 PolarHBondContact OD1-NE2 2.99Å; Y596-Q601 HydrophobicContact CE2-CB 3.84Å; Y596-Q601 HydrophobicContact CE2-CG 4.19Å; Y596-Q601 PolarHBondContact OH-NE2 3.06Å; N597-Q601 VanDerWaalsContact O-CA 3.29Å; N597-Q601 WeakPolarHBondContact O-CA 3.42Å; N597-Q601 PolarHBondContact O-N 3.41Å; Q601-H615 PolarHBondContact O-N 2.85Å; Q601-H615 VanDerWaalsContact O-N 3.13Å; Q601-H615 PolarHBondContact OE1-CD2 3.33Å; Q601-H615 VanDerWaalsContact OE1-CD2 3.25Å
602	L	98.3	Very high	96.7	Very high	46 Å²	46	47.6 Å²	47.6	24%	0.241	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	133	-178.6	-59.9	-179.1	0	0	0	111.2	Y596 D600 V612 R613 D614	Y596-L602 WeakPolarHBondContact CD2-O 3.48Å; D600-L602 HydrophobicContact CB-CD1 4.46Å; D600-L602 HydrophobicContact CB-CD2 4.28Å; D600-L602 HydrophobicContact CB-CG 3.89Å; D600-L602 PolarHBondContact O-N 2.03Å; D600-L602 VanDerWaalsContact O-N 3.08Å; L602-V612 HydrophobicContact CB-CG1 4.13Å; L602-V612 HydrophobicContact CD2-CG1 4.3Å; L602-R613 CarbonylContact C-O 3.58Å; L602-R613 WeakPolarHBondContact CA-O 3.13Å; L602-D614 HydrophobicContact CD2-CB 3.91Å
603	Y	98.4	Very high	96.8	Very high	1 Å²	1	49 Å²	49	0%	0.004	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	155.6	175.7	74	-80.5	0	0	0	112.3	F503 A505 H605 V612 R613 Y616 D801	F503-Y603 HydrophobicContact CD1-CG 4.46Å; F503-Y603 CarbonylContact O-C 3.59Å; F503-Y603 VanDerWaalsContact O-CA 3.25Å; F503-Y603 WeakPolarHBondContact O-CA 3.5Å; F503-Y603 WeakPolarHBondContact O-CB 3.4Å; A505-Y603 HydrophobicContact CB-CD2 3.83Å; A505-Y603 HydrophobicContact CB-CE2 3.77Å; Y603-H605 HydrophobicContact CE2-CB 4.18Å; Y603-V612 WeakPolarHBondContact O-CA 3.49Å; Y603-R613 HydrophobicContact CD1-CB 4Å; Y603-R613 VanDerWaalsContact CD1-O 3.3Å; Y603-R613 WeakPolarHBondContact CD1-O 3.27Å; Y603-R613 HydrophobicContact CE1-CB 3.28Å; Y603-R613 HydrophobicContact CE2-CB 4.07Å; Y603-R613 PolarHBondContact N-O 2.97Å; Y603-R613 PolarHBondContact O-N 3.36Å; Y603-R613 WeakPolarHBondContact OH-CB 3.06Å; Y603-Y616 HydrophobicContact CE1-CD2 4.29Å; Y603-Y616 HydrophobicContact CE1-CG 4.36Å; Y603-Y616 AromaticContact CE2-CD2 3.97Å; Y603-Y616 HydrophobicContact CE2-CD2 3.97Å; Y603-Y616 HydrophobicContact CE2-CG 4.35Å; Y603-Y616 AromaticContact CZ-CD2 3.7Å; Y603-D801 PolarHBondContact OH-OD2 3.08Å; Y603-D801 VanDerWaalsContact OH-OD2 3.06Å
604	L	98.5	Very high	96.8	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	118.6	172.6	-177.8	63.9	0	0	0	110.3	F503 Y504 A505 Y560 F588 V591 W593 I606	F503-L604 PolarHBondContact O-N 3.3Å; Y504-L604 WeakPolarHBondContact CA-O 3.37Å; A505-L604 PolarHBondContact N-O 3.25Å; Y560-L604 HydrophobicContact CD2-CD2 4.23Å; Y560-L604 HydrophobicContact CE2-CD2 3.76Å; F588-L604 HydrophobicContact CE1-CD1 4.45Å; F588-L604 HydrophobicContact CE1-CD2 4.34Å; V591-L604 HydrophobicContact CG1-CD1 3.5Å; W593-L604 HydrophobicContact CB-CD2 4.2Å; W593-L604 HydrophobicContact CD2-CB 3.8Å; W593-L604 HydrophobicContact CD2-CD2 3.58Å; W593-L604 HydrophobicContact CD2-CG 4.32Å; W593-L604 HydrophobicContact CE3-CB 4.49Å; W593-L604 HydrophobicContact CE3-CD2 3.49Å; W593-L604 VanDerWaalsContact CE3-CD2 3.49Å; W593-L604 HydrophobicContact CG-CB 3.82Å; W593-L604 HydrophobicContact CG-CD2 3.9Å; W593-L604 HydrophobicContact CG-CG 4.4Å; W593-L604 HydrophobicContact CZ2-CB 4.37Å; W593-L604 HydrophobicContact CZ3-CD2 4.07Å; L604-I606 HydrophobicContact CB-CG1 4.48Å; L604-I606 HydrophobicContact CD2-CD1 4.22Å; L604-I606 HydrophobicContact CD2-CG1 3.79Å; L604-I606 HydrophobicContact CG-CG1 3.82Å; L604-I606 PolarHBondContact O-N 2.6Å
605	H	98.1	Very high	96.8	Very high	14 Å²	14	53.9 Å²	53.9	7%	0.065	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	101.8	168.1	171.3	-72.3	0	0	0	109.1	Y507 Y603 K609 P610 R611	Y507-H605 AromaticContact CD1-NE2 3.58Å; Y507-H605 AromaticContact CD2-CD2 3.43Å; Y507-H605 VanDerWaalsContact CD2-CD2 3.43Å; Y507-H605 WeakPolarHBondContact CD2-CD2 3.33Å; Y507-H605 AromaticContact CD2-NE2 3.67Å; Y507-H605 AromaticContact CE1-NE2 3.93Å; Y507-H605 AromaticContact CE2-CD2 3.43Å; Y507-H605 VanDerWaalsContact CE2-CD2 3.43Å; Y507-H605 WeakPolarHBondContact CE2-CD2 3.44Å; Y507-H605 AromaticContact CG-CD2 3.7Å; Y507-H605 AromaticContact CG-NE2 3.4Å; Y507-H605 AromaticContact CZ-CD2 3.68Å; Y603-H605 HydrophobicContact CE2-CB 4.18Å; H605-K609 PolarHBondContact ND1-O 3.26Å; H605-P610 WeakPolarHBondContact O-CA 3.38Å; H605-R611 HydrophobicContact CB-CG 4.21Å; H605-R611 WeakPolarHBondContact CB-O 3.29Å; H605-R611 PolarHBondContact N-O 3.15Å
606	I	98.1	Very high	96.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	115.3	-178.6	-59.4	178.2	0	0	0	109.5	Y504 A505 F506 Y507 L553 V557 W561 F588 L604	Y504-I606 HydrophobicContact CD2-CD1 3.96Å; Y504-I606 HydrophobicContact CG-CD1 3.85Å; A505-I606 PolarHBondContact O-N 3.13Å; F506-I606 HydrophobicContact CD2-CB 3.84Å; F506-I606 HydrophobicContact CD2-CD1 4.35Å; F506-I606 HydrophobicContact CD2-CG2 3.54Å; F506-I606 HydrophobicContact CE2-CB 4.35Å; F506-I606 HydrophobicContact CE2-CG2 3.52Å; Y507-I606 PolarHBondContact N-O 2.73Å; L553-I606 HydrophobicContact CD1-CG2 3.91Å; V557-I606 HydrophobicContact CG2-CG2 4.17Å; W561-I606 HydrophobicContact CH2-CD1 4.02Å; W561-I606 HydrophobicContact CZ3-CD1 4.02Å; F588-I606 HydrophobicContact CZ-CG2 4.24Å; L604-I606 HydrophobicContact CB-CG1 4.48Å; L604-I606 HydrophobicContact CD2-CD1 4.22Å; L604-I606 HydrophobicContact CD2-CG1 3.79Å; L604-I606 HydrophobicContact CG-CG1 3.82Å; L604-I606 PolarHBondContact O-N 2.6Å
607	G	95.8	Very high	96.6	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.01	23%	0.232	C	C	.	.	S	Bend	trans	175.4	-164.2	175	0	0	0	0	0	111.2	K609 P610	G607-K609 PolarHBondContact O-N 3.33Å; G607-P610 WeakPolarHBondContact O-CD 3.37Å
608	L	94.3	Very high	96.6	Very high	48 Å²	48	48.9 Å²	48.9	25%	0.251	23%	0.231	S	C	.	.	S	Bend	trans	-72.3	-11.3	-176.8	-58.3	-174	0	0	0	114.7	N549 M552 R587 P610	N549-L608 HydrophobicContact CB-CD1 4.49Å; N549-L608 HydrophobicContact CB-CD2 3.81Å; M552-L608 HydrophobicContact CE-CD2 4.42Å; R587-L608 WeakPolarHBondContact CD-O 3.12Å; R587-L608 PolarHBondContact NH1-O 3.19Å; L608-P610 VanDerWaalsContact C-CD 3.48Å
609	K	94.8	Very high	96.7	Very high	130 Å²	130	50 Å²	50	57%	0.565	24%	0.237	S	C	*	.	S	Bend	trans	-124.6	67.2	174.2	-66.4	-178.6	-177.9	176.5	0	109.4	H605 G607 R611	H605-K609 PolarHBondContact ND1-O 3.26Å; G607-K609 PolarHBondContact O-N 3.33Å; K609-R611 PolarHBondContact O-NH1 3.19Å; K609-R611 VanDerWaalsContact O-NH1 3.08Å
610	P	95.2	Very high	96.8	Very high	20 Å²	20	41.9 Å²	41.9	13%	0.13	21%	0.207	C	C	.	.			trans	-69.7	146.9	-170.8	32.9	-38.2	0	0	0	112	R587 F588 V591 H605 G607 L608	R587-P610 HydrophobicContact CB-CG 3.91Å; R587-P610 WeakPolarHBondContact O-CG 2.99Å; F588-P610 HydrophobicContact CD1-CB 3.47Å; F588-P610 VanDerWaalsContact CD1-CB 3.47Å; F588-P610 HydrophobicContact CD1-CG 4.03Å; F588-P610 HydrophobicContact CD2-CB 3.85Å; F588-P610 HydrophobicContact CD2-CG 3.62Å; F588-P610 HydrophobicContact CE1-CB 3.24Å; F588-P610 HydrophobicContact CE1-CG 4.13Å; F588-P610 HydrophobicContact CE2-CB 3.61Å; F588-P610 HydrophobicContact CE2-CG 3.69Å; F588-P610 HydrophobicContact CG-CB 3.81Å; F588-P610 HydrophobicContact CG-CG 3.82Å; F588-P610 HydrophobicContact CZ-CB 3.33Å; F588-P610 HydrophobicContact CZ-CG 3.98Å; V591-P610 HydrophobicContact CG2-CB 4.31Å; V591-P610 HydrophobicContact CG2-CG 4.22Å; H605-P610 WeakPolarHBondContact O-CA 3.38Å; G607-P610 WeakPolarHBondContact O-CD 3.37Å; L608-P610 VanDerWaalsContact C-CD 3.48Å
611	R	95.8	Very high	96.8	Very high	58 Å²	58	39 Å²	39	22%	0.219	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.9	152.6	-178.6	55.9	-155	-166	-110.1	-0.6	110	H605 K609 R613	H605-R611 HydrophobicContact CB-CG 4.21Å; H605-R611 WeakPolarHBondContact CB-O 3.29Å; H605-R611 PolarHBondContact N-O 3.15Å; K609-R611 PolarHBondContact O-NH1 3.19Å; K609-R611 VanDerWaalsContact O-NH1 3.08Å; R611-R613 HydrophobicContact CG-CG 4.08Å; R611-R613 VanDerWaalsContact NE-NE 3.18Å; R611-R613 VanDerWaalsContact NE-NH2 3.13Å
612	V	97.3	Very high	96.8	Very high	42 Å²	42	39.7 Å²	39.7	26%	0.255	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	138	164.5	-178.5	0	0	0	0	108.7	A592 L602 Y603	A592-V612 WeakPolarHBondContact O-CG2 3.41Å; L602-V612 HydrophobicContact CB-CG1 4.13Å; L602-V612 HydrophobicContact CD2-CG1 4.3Å; Y603-V612 WeakPolarHBondContact O-CA 3.49Å
613	R	97.1	Very high	96.7	Very high	93 Å²	93	37.9 Å²	37.9	35%	0.351	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	171.5	175.7	-74.3	-69.1	178.9	-95.4	14.4	108.4	L602 Y603 R611	L602-R613 CarbonylContact C-O 3.58Å; L602-R613 WeakPolarHBondContact CA-O 3.13Å; Y603-R613 HydrophobicContact CD1-CB 4Å; Y603-R613 VanDerWaalsContact CD1-O 3.3Å; Y603-R613 WeakPolarHBondContact CD1-O 3.27Å; Y603-R613 HydrophobicContact CE1-CB 3.28Å; Y603-R613 HydrophobicContact CE2-CB 4.07Å; Y603-R613 PolarHBondContact N-O 2.97Å; Y603-R613 PolarHBondContact O-N 3.36Å; Y603-R613 WeakPolarHBondContact OH-CB 3.06Å; R611-R613 HydrophobicContact CG-CG 4.08Å; R611-R613 VanDerWaalsContact NE-NE 3.18Å; R611-R613 VanDerWaalsContact NE-NH2 3.13Å
614	D	97.5	Very high	96.6	Very high	84 Å²	84	38.2 Å²	38.2	45%	0.449	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	155.9	-176.8	62.5	102.7	0	0	0	110.2	D600 L602 Y616	D600-D614 WeakPolarHBondContact O-CB 3.18Å; L602-D614 HydrophobicContact CD2-CB 3.91Å; D614-Y616 PolarHBondContact O-N 2.81Å
615	H	97.8	Very high	96.3	Very high	67 Å²	67	40.9 Å²	40.9	31%	0.31	21%	0.206	S	C	.	.	S	Bend	trans	54	53.3	169	-62.4	92.4	0	0	0	114.1	D600 Q601 R617 A618	D600-H615 PolarHBondContact O-CE1 2.96Å; Q601-H615 PolarHBondContact O-N 2.85Å; Q601-H615 VanDerWaalsContact O-N 3.13Å; Q601-H615 PolarHBondContact OE1-CD2 3.33Å; Q601-H615 VanDerWaalsContact OE1-CD2 3.25Å; H615-R617 PolarHBondContact O-N 2.89Å; H615-A618 HydrophobicContact CB-CB 3.73Å; H615-A618 WeakPolarHBondContact O-CB 3.36Å; H615-A618 PolarHBondContact O-N 3.41Å; H615-A618 VanDerWaalsContact O-N 3.15Å
616	Y	97.3	Very high	96	Very high	9 Å²	9	45.9 Å²	45.9	4%	0.035	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	112.9	-179.3	-177.1	-122.6	0	0	0	111.4	V405 V484 F503 A505 Y507 Y603 D614 A618	V405-Y616 HydrophobicContact CG2-CD1 4.29Å; V405-Y616 HydrophobicContact CG2-CE1 3.56Å; V484-Y616 HydrophobicContact CG1-CD1 3.82Å; V484-Y616 HydrophobicContact CG1-CE1 3.74Å; V484-Y616 HydrophobicContact CG2-CE1 4.1Å; F503-Y616 HydrophobicContact CE1-CD1 4.16Å; A505-Y616 HydrophobicContact CB-CD1 4.41Å; A505-Y616 HydrophobicContact CB-CD2 4.23Å; A505-Y616 HydrophobicContact CB-CE1 4.15Å; A505-Y616 HydrophobicContact CB-CE2 4.01Å; A505-Y616 HydrophobicContact CB-CG 4.43Å; Y507-Y616 HydrophobicContact CE2-CE2 4.19Å; Y507-Y616 AromaticContact CZ-CE2 3.92Å; Y507-Y616 WeakPolarHBondContact OH-CE2 3.41Å; Y603-Y616 HydrophobicContact CE1-CD2 4.29Å; Y603-Y616 HydrophobicContact CE1-CG 4.36Å; Y603-Y616 AromaticContact CE2-CD2 3.97Å; Y603-Y616 HydrophobicContact CE2-CD2 3.97Å; Y603-Y616 HydrophobicContact CE2-CG 4.35Å; Y603-Y616 AromaticContact CZ-CD2 3.7Å; D614-Y616 PolarHBondContact O-N 2.81Å; Y616-A618 PolarHBondContact O-N 3.18Å; Y616-A618 VanDerWaalsContact O-N 3.08Å
617	R	95.8	Very high	95.8	Very high	30 Å²	30	49.3 Å²	49.3	11%	0.113	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	31.3	178.7	-54.2	179.9	63.6	74.5	1.2	113.6	D480 H615 T619 K620 V621 D801	D480-R617 VanDerWaalsContact CG-NH2 3.3Å; D480-R617 IonicContact OD1-CZ 3.05Å; D480-R617 VanDerWaalsContact OD1-CZ 3.23Å; D480-R617 IonicContact OD1-NE 2.64Å; D480-R617 PolarHBondContact OD1-NE 3.45Å; D480-R617 IonicContact OD1-NH2 2.64Å; D480-R617 PolarHBondContact OD1-NH2 3.4Å; D480-R617 IonicContact OD2-CZ 2.77Å; D480-R617 IonicContact OD2-NE 3.23Å; D480-R617 IonicContact OD2-NH2 3.69Å; D480-R617 PolarHBondContact OD2-NH2 2.95Å; H615-R617 PolarHBondContact O-N 2.89Å; R617-T619 PolarHBondContact O-N 3.36Å; R617-K620 PolarHBondContact O-N 3.49Å; R617-V621 PolarHBondContact O-N 3.01Å; R617-D801 PolarHBondContact NH1-O 3.04Å
618	A	95.7	Very high	95.6	Very high	29 Å²	29	49.3 Å²	49.3	24%	0.24	25%	0.247	C	C	.	.	H	α-helix	trans	-55.2	-33.1	-168.9	0	0	0	0	0	114.2	H615 Y616 K620 A622	H615-A618 HydrophobicContact CB-CB 3.73Å; H615-A618 WeakPolarHBondContact O-CB 3.36Å; H615-A618 PolarHBondContact O-N 3.41Å; H615-A618 VanDerWaalsContact O-N 3.15Å; Y616-A618 PolarHBondContact O-N 3.18Å; Y616-A618 VanDerWaalsContact O-N 3.08Å; A618-K620 PolarHBondContact O-N 3.13Å; A618-A622 WeakPolarHBondContact O-CB 3.47Å; A618-A622 PolarHBondContact O-N 3.04Å
619	T	96.5	Very high	95.3	Very high	75 Å²	75	49.7 Å²	49.7	46%	0.46	25%	0.253	S	S	.	.	H	α-helix	trans	-62.2	-43.2	175.5	-50.9	0	0	0	0	111.8	M457 R617 F623 D802	M457-T619 HydrophobicContact CE-CG2 4.45Å; R617-T619 PolarHBondContact O-N 3.36Å; T619-F623 WeakPolarHBondContact O-CB 3.33Å; T619-F623 PolarHBondContact O-N 3.45Å; T619-F623 VanDerWaalsContact O-N 3.1Å; T619-D802 PolarHBondContact OG1-OD2 3.29Å
620	K	97.3	Very high	94.9	Very high	33 Å²	33	48.6 Å²	48.6	14%	0.143	25%	0.249	C	C	.	.	H	α-helix	trans	-76.5	-38.6	-179.9	-55.3	-54.5	179.2	-164.5	0	111.5	M457 Y458 D480 R617 A618 F623 W624	M457-K620 PolarHBondContact O-NZ 2.8Å; Y458-K620 HydrophobicContact CE1-CD 4.46Å; D480-K620 WeakPolarHBondContact OD2-CB 3.24Å; R617-K620 PolarHBondContact O-N 3.49Å; A618-K620 PolarHBondContact O-N 3.13Å; K620-F623 WeakPolarHBondContact O-CB 3.34Å; K620-F623 PolarHBondContact O-N 3.19Å; K620-W624 PolarHBondContact O-N 3.23Å; K620-W624 VanDerWaalsContact O-N 3.09Å
621	V	96.8	Very high	94.4	Very high	10 Å²	10	49 Å²	49	6%	0.061	25%	0.25	C	S	.	.	H	α-helix	trans	-60.3	-49.7	173.1	175.3	0	0	0	0	110.5	V484 E485 V488 R617 F623 W624 K625	V484-V621 HydrophobicContact CG1-CG2 3.83Å; E485-V621 HydrophobicContact CG-CG1 4.43Å; V488-V621 HydrophobicContact CB-CG1 4.08Å; V488-V621 HydrophobicContact CG1-CG1 3.82Å; V488-V621 HydrophobicContact CG2-CG2 4.25Å; R617-V621 PolarHBondContact O-N 3.01Å; V621-F623 VanDerWaalsContact C-N 3.27Å; V621-F623 PolarHBondContact O-N 3.21Å; V621-W624 PolarHBondContact O-N 3.45Å; V621-K625 WeakPolarHBondContact O-CB 3.44Å; V621-K625 PolarHBondContact O-N 2.93Å
622	A	96.2	Very high	93.6	Very high	44 Å²	44	51 Å²	51	36%	0.364	26%	0.258	S	S	.	.	H	α-helix	trans	-62.9	-33.9	178	0	0	0	0	0	112.6	A618 H626	A618-A622 WeakPolarHBondContact O-CB 3.47Å; A618-A622 PolarHBondContact O-N 3.04Å; A622-H626 WeakPolarHBondContact O-CB 3.42Å; A622-H626 PolarHBondContact O-N 2.92Å
623	F	96.9	Very high	92.7	Very high	8 Å²	8	52.9 Å²	52.9	4%	0.035	27%	0.267	C	S	.	.	I	π-helix	trans	-59	-52.8	173.5	166.8	-110.2	0	0	0	111.7	T453 I454 M457 Y458 T619 K620 V621 L627 V628	T453-F623 HydrophobicContact CG2-CE2 3.83Å; T453-F623 HydrophobicContact CG2-CZ 4.4Å; I454-F623 HydrophobicContact CB-CZ 4.48Å; I454-F623 HydrophobicContact CG1-CE1 4.05Å; I454-F623 HydrophobicContact CG1-CZ 3.68Å; M457-F623 HydrophobicContact CB-CE1 4.33Å; M457-F623 HydrophobicContact CB-CE2 4.46Å; M457-F623 HydrophobicContact CB-CZ 4.29Å; M457-F623 HydrophobicContact CE-CB 4.12Å; M457-F623 HydrophobicContact CE-CD2 4.23Å; M457-F623 HydrophobicContact CE-CG 4.15Å; M457-F623 HydrophobicContact CG-CD2 3.83Å; M457-F623 HydrophobicContact CG-CE1 4.42Å; M457-F623 HydrophobicContact CG-CE2 3.71Å; M457-F623 HydrophobicContact CG-CG 4.25Å; M457-F623 HydrophobicContact CG-CZ 4.01Å; Y458-F623 HydrophobicContact CE2-CD1 4.4Å; Y458-F623 HydrophobicContact CE2-CE1 4.21Å; T619-F623 WeakPolarHBondContact O-CB 3.33Å; T619-F623 PolarHBondContact O-N 3.45Å; T619-F623 VanDerWaalsContact O-N 3.1Å; K620-F623 WeakPolarHBondContact O-CB 3.34Å; K620-F623 PolarHBondContact O-N 3.19Å; V621-F623 VanDerWaalsContact C-N 3.27Å; V621-F623 PolarHBondContact O-N 3.21Å; F623-L627 HydrophobicContact CD2-CB 4.08Å; F623-L627 HydrophobicContact CD2-CD2 3.82Å; F623-L627 HydrophobicContact CD2-CG 4.32Å; F623-L627 HydrophobicContact CE2-CD2 3.98Å; F623-L627 HydrophobicContact CE2-CG 4.43Å; F623-L627 WeakPolarHBondContact O-CB 3.29Å; F623-L627 PolarHBondContact O-N 3.08Å; F623-L627 VanDerWaalsContact O-N 3.1Å; F623-V628 HydrophobicContact CD1-CG2 4.3Å; F623-V628 HydrophobicContact CD2-CG2 4.24Å; F623-V628 HydrophobicContact CE1-CG2 3.79Å; F623-V628 HydrophobicContact CE2-CG2 3.7Å; F623-V628 HydrophobicContact CZ-CG2 3.46Å; F623-V628 VanDerWaalsContact CZ-CG2 3.46Å; F623-V628 PolarHBondContact O-N 3.02Å
624	W	95.9	Very high	91.5	Very high	8 Å²	8	50.7 Å²	50.7	3%	0.03	26%	0.262	C	S	.	.	I	π-helix	trans	-68.9	-42.6	179.2	-69.5	121.7	0	0	0	112.7	F436 I454 Y458 L477 H481 E485 K620 V621 V628 P629	F436-W624 AromaticContact CE1-CH2 3.87Å; F436-W624 HydrophobicContact CE1-CH2 3.87Å; I454-W624 HydrophobicContact CD1-CH2 3.72Å; I454-W624 HydrophobicContact CD1-CZ3 3.86Å; I454-W624 HydrophobicContact CG1-CH2 3.8Å; I454-W624 HydrophobicContact CG1-CZ3 4.11Å; I454-W624 HydrophobicContact CG2-CH2 4.12Å; Y458-W624 AromaticContact CE2-CZ2 3.65Å; Y458-W624 HydrophobicContact CE2-CZ2 3.65Å; Y458-W624 AromaticContact CE2-NE1 3.97Å; Y458-W624 AromaticContact CZ-NE1 3.81Å; Y458-W624 PolarHBondContact OH-NE1 3.09Å; L477-W624 HydrophobicContact CG-CZ2 4.39Å; H481-W624 HydrophobicContact CB-CD2 4.47Å; H481-W624 HydrophobicContact CB-CZ2 4.27Å; H481-W624 AromaticContact CD2-CD2 3.84Å; H481-W624 AromaticContact CD2-CE3 3.47Å; H481-W624 VanDerWaalsContact CD2-CE3 3.47Å; H481-W624 AromaticContact CD2-CH2 3.95Å; H481-W624 AromaticContact CD2-CZ3 3.54Å; E485-W624 HydrophobicContact CB-CB 4.18Å; E485-W624 HydrophobicContact CG-CB 3.77Å; K620-W624 PolarHBondContact O-N 3.23Å; K620-W624 VanDerWaalsContact O-N 3.09Å; V621-W624 PolarHBondContact O-N 3.45Å; W624-V628 HydrophobicContact CD2-CG2 4.47Å; W624-V628 HydrophobicContact CE3-CB 4.08Å; W624-V628 HydrophobicContact CE3-CG1 4.12Å; W624-V628 HydrophobicContact CE3-CG2 3.57Å; W624-V628 HydrophobicContact CZ3-CG1 4.27Å; W624-V628 HydrophobicContact CZ3-CG2 3.84Å; W624-P629 WeakPolarHBondContact O-CD 3.29Å
625	K	92.2	Very high	89.9	Confident	55 Å²	55	49.3 Å²	49.3	24%	0.239	25%	0.253	C	S	.	.	I	π-helix	trans	-71.5	-34.8	-176.6	-173.6	-179.5	-179.3	-178.8	0	114	E485 V489 D492 V621	E485-K625 HydrophobicContact CG-CB 4.42Å; V489-K625 HydrophobicContact CG2-CD 3.98Å; V489-K625 HydrophobicContact CG2-CG 4.19Å; D492-K625 IonicContact OD2-NZ 2.82Å; D492-K625 PolarHBondContact OD2-NZ 2.98Å; V621-K625 WeakPolarHBondContact O-CB 3.44Å; V621-K625 PolarHBondContact O-N 2.93Å
626	H	92.4	Very high	88	Confident	120 Å²	120	50.8 Å²	50.8	56%	0.556	26%	0.263	S	S	*	.	I	π-helix	trans	-118.1	-48.3	-171.1	-60.1	-55.9	0	0	0	113.8	A622	A622-H626 WeakPolarHBondContact O-CB 3.42Å; A622-H626 PolarHBondContact O-N 2.92Å
627	L	92.5	Very high	85.6	Confident	71 Å²	71	55.1 Å²	55.1	37%	0.372	29%	0.285	S	S	.	.	I	π-helix	trans	-77	-44.3	-173.6	-176.4	58.6	0	0	0	111.6	T453 F623 H630 L631	T453-L627 HydrophobicContact CG2-CD2 4.28Å; F623-L627 HydrophobicContact CD2-CB 4.08Å; F623-L627 HydrophobicContact CD2-CD2 3.82Å; F623-L627 HydrophobicContact CD2-CG 4.32Å; F623-L627 HydrophobicContact CE2-CD2 3.98Å; F623-L627 HydrophobicContact CE2-CG 4.43Å; F623-L627 WeakPolarHBondContact O-CB 3.29Å; F623-L627 PolarHBondContact O-N 3.08Å; F623-L627 VanDerWaalsContact O-N 3.1Å; L627-H630 WeakPolarHBondContact O-CB 3.49Å; L627-H630 PolarHBondContact O-N 2.05Å; L627-L631 HydrophobicContact CD1-CD1 4.28Å; L627-L631 HydrophobicContact CD1-CD2 4.42Å; L627-L631 HydrophobicContact CD1-CG 4.07Å; L627-L631 HydrophobicContact CD2-CD1 4.39Å; L627-L631 HydrophobicContact CG-CD1 3.88Å; L627-L631 HydrophobicContact CG-CG 4.13Å; L627-L631 WeakPolarHBondContact O-CG 3.1Å; L627-L631 PolarHBondContact O-N 3.07Å
628	V	91.7	Very high	83.3	Confident	1 Å²	1	60 Å²	60	1%	0.006	31%	0.307	C	S	.	.	H	α-helix	trans	-63.4	-46.9	-176.1	168.4	0	0	0	0	113	Y441 L450 F623 W624 H630 L631 Y632	Y441-V628 HydrophobicContact CE1-CG1 3.77Å; Y441-V628 WeakPolarHBondContact OH-CG1 3.48Å; L450-V628 HydrophobicContact CD1-CB 4.3Å; L450-V628 HydrophobicContact CD1-CG1 3.81Å; L450-V628 HydrophobicContact CD1-CG2 3.94Å; F623-V628 HydrophobicContact CD1-CG2 4.3Å; F623-V628 HydrophobicContact CD2-CG2 4.24Å; F623-V628 HydrophobicContact CE1-CG2 3.79Å; F623-V628 HydrophobicContact CE2-CG2 3.7Å; F623-V628 HydrophobicContact CZ-CG2 3.46Å; F623-V628 VanDerWaalsContact CZ-CG2 3.46Å; F623-V628 PolarHBondContact O-N 3.02Å; W624-V628 HydrophobicContact CD2-CG2 4.47Å; W624-V628 HydrophobicContact CE3-CB 4.08Å; W624-V628 HydrophobicContact CE3-CG1 4.12Å; W624-V628 HydrophobicContact CE3-CG2 3.57Å; W624-V628 HydrophobicContact CZ3-CG1 4.27Å; W624-V628 HydrophobicContact CZ3-CG2 3.84Å; V628-H630 VanDerWaalsContact C-N 3.27Å; V628-H630 PolarHBondContact O-N 3.26Å; V628-L631 PolarHBondContact O-N 2.7Å; V628-L631 VanDerWaalsContact O-N 3.17Å; V628-Y632 WeakPolarHBondContact O-CB 3.45Å; V628-Y632 PolarHBondContact O-N 2.93Å
629	P	88.5	Confident	80.8	Confident	57 Å²	57	63.9 Å²	63.9	37%	0.37	32%	0.32	S	S	.	.	H	α-helix	trans	-57.4	-39.3	172.9	-29.3	35.2	0	0	0	113	W624 Y632 N633	W624-P629 WeakPolarHBondContact O-CD 3.29Å; P629-Y632 PolarHBondContact O-N 3.17Å; P629-N633 WeakPolarHBondContact O-CB 3.11Å; P629-N633 VanDerWaalsContact O-CG 3.28Å; P629-N633 PolarHBondContact O-N 2.9Å; P629-N633 PolarHBondContact O-ND2 2.8Å
630	H	87	Confident	78.2	Confident	106 Å²	106	70 Å²	70	49%	0.491	34%	0.336	S	S	.	.	H	α-helix	trans	-63.1	-48.3	175.3	-176.9	69.4	0	0	0	111.5	L627 V628 Y632 N633 L634	L627-H630 WeakPolarHBondContact O-CB 3.49Å; L627-H630 PolarHBondContact O-N 2.05Å; V628-H630 VanDerWaalsContact C-N 3.27Å; V628-H630 PolarHBondContact O-N 3.26Å; H630-Y632 VanDerWaalsContact C-N 3.3Å; H630-Y632 PolarHBondContact O-N 3.35Å; H630-N633 PolarHBondContact O-N 3.19Å; H630-L634 WeakPolarHBondContact O-CG 3.48Å; H630-L634 PolarHBondContact O-N 2.98Å; H630-L634 VanDerWaalsContact O-N 3.08Å
631	L	85.1	Confident	75.7	Confident	29 Å²	29	73.1 Å²	73.1	15%	0.152	36%	0.358	C	S	.	.	H	α-helix	trans	-62.4	-36.7	178.4	-68.8	176.8	0	0	0	112.7	T449 L450 T453 L627 V628 L634	T449-L631 HydrophobicContact CG2-CD2 4.28Å; L450-L631 HydrophobicContact CD1-CB 4.33Å; L450-L631 HydrophobicContact CD1-CD1 4.27Å; T453-L631 HydrophobicContact CG2-CD1 3.93Å; L627-L631 HydrophobicContact CD1-CD1 4.28Å; L627-L631 HydrophobicContact CD1-CD2 4.42Å; L627-L631 HydrophobicContact CD1-CG 4.07Å; L627-L631 HydrophobicContact CD2-CD1 4.39Å; L627-L631 HydrophobicContact CG-CD1 3.88Å; L627-L631 HydrophobicContact CG-CG 4.13Å; L627-L631 WeakPolarHBondContact O-CG 3.1Å; L627-L631 PolarHBondContact O-N 3.07Å; V628-L631 PolarHBondContact O-N 2.7Å; V628-L631 VanDerWaalsContact O-N 3.17Å; L631-L634 HydrophobicContact CD2-CD1 3.81Å
632	Y	78.7	Confident	73	Confident	100 Å²	100	77.3 Å²	77.3	39%	0.392	39%	0.387	S	S	.	.	H	α-helix	trans	-64.8	-45.5	176.1	-176.9	-99.6	0	0	0	111.3	Y441 V628 P629 H630 L634	Y441-Y632 AromaticContact CD1-CD2 3.77Å; Y441-Y632 HydrophobicContact CD1-CD2 3.77Å; Y441-Y632 HydrophobicContact CD1-CE2 4.1Å; V628-Y632 WeakPolarHBondContact O-CB 3.45Å; V628-Y632 PolarHBondContact O-N 2.93Å; P629-Y632 PolarHBondContact O-N 3.17Å; H630-Y632 VanDerWaalsContact C-N 3.3Å; H630-Y632 PolarHBondContact O-N 3.35Å; Y632-L634 VanDerWaalsContact C-N 3.32Å; Y632-L634 PolarHBondContact O-N 2.88Å
633	N	78.1	Confident	70.1	Confident	82 Å²	82	81.2 Å²	81.2	44%	0.439	41%	0.407	S	S	.	.	H	α-helix	trans	-75.6	-14.2	-178.7	-69.6	-21	0	0	0	114.4	P629 H630 H635 D636 M637	P629-N633 WeakPolarHBondContact O-CB 3.11Å; P629-N633 VanDerWaalsContact O-CG 3.28Å; P629-N633 PolarHBondContact O-N 2.9Å; P629-N633 PolarHBondContact O-ND2 2.8Å; H630-N633 PolarHBondContact O-N 3.19Å; N633-H635 PolarHBondContact O-N 2.77Å; N633-H635 VanDerWaalsContact O-N 3.09Å; N633-D636 PolarHBondContact O-N 3.47Å; N633-D636 VanDerWaalsContact O-N 3.13Å; N633-M637 PolarHBondContact O-N 2.9Å
634	L	72	Confident	67.2	Low	47 Å²	47	85.6 Å²	85.6	25%	0.246	44%	0.435	C	S	.	.	H	α-helix	trans	-51.8	-35.8	175.8	-76.8	175.9	0	0	0	111.3	H630 L631 Y632 M637 F638	H630-L634 WeakPolarHBondContact O-CG 3.48Å; H630-L634 PolarHBondContact O-N 2.98Å; H630-L634 VanDerWaalsContact O-N 3.08Å; L631-L634 HydrophobicContact CD2-CD1 3.81Å; Y632-L634 VanDerWaalsContact C-N 3.32Å; Y632-L634 PolarHBondContact O-N 2.88Å; L634-M637 HydrophobicContact CD2-CE 3.87Å; L634-M637 PolarHBondContact O-N 3.44Å; L634-F638 HydrophobicContact CB-CE2 4.4Å; L634-F638 WeakPolarHBondContact O-CD2 3.38Å; L634-F638 PolarHBondContact O-N 3.22Å
635	H	62.6	Low	64.4	Low	54 Å²	54	91.7 Å²	91.7	25%	0.25	47%	0.473	C	S	.	.	H	α-helix	trans	-70.9	-38	-178	-163.4	62.8	0	0	0	113.4	E445 N633 M637 F638 H639	E445-H635 PolarHBondContact O-CE1 2.93Å; E445-H635 PolarHBondContact O-ND1 3.47Å; E445-H635 VanDerWaalsContact O-ND1 3.13Å; E445-H635 PolarHBondContact O-NE2 3.33Å; N633-H635 PolarHBondContact O-N 2.77Å; N633-H635 VanDerWaalsContact O-N 3.09Å; H635-M637 VanDerWaalsContact C-N 3.28Å; H635-M637 PolarHBondContact O-N 2.96Å; H635-F638 PolarHBondContact O-N 3.21Å; H635-H639 AromaticContact CD2-CD2 3.7Å; H635-H639 AromaticContact CD2-NE2 3.58Å; H635-H639 AromaticContact CE1-CD2 3.96Å; H635-H639 AromaticContact CE1-NE2 3.3Å; H635-H639 PolarHBondContact CE1-NE2 3.11Å; H635-H639 VanDerWaalsContact CE1-NE2 3.3Å; H635-H639 AromaticContact NE2-CD2 3.51Å; H635-H639 AromaticContact NE2-NE2 2.88Å; H635-H639 PolarHBondContact NE2-NE2 2.85Å; H635-H639 PolarHBondContact O-CD2 2.86Å; H635-H639 PolarHBondContact O-N 2.97Å
636	D	58.4	Low	61.8	Low	98 Å²	98	99 Å²	99	52%	0.524	51%	0.505	S	S	.	.	H	α-helix	trans	-66.9	-32.5	176.4	-75.5	-21.8	0	0	0	111.8	N633 Y640	N633-D636 PolarHBondContact O-N 3.47Å; N633-D636 VanDerWaalsContact O-N 3.13Å; D636-Y640 PolarHBondContact O-N 2.87Å
637	M	47.2	Very low	59	Low	100 Å²	100	99.7 Å²	99.7	49%	0.493	52%	0.517	S	S	.	.	H	α-helix	trans	-66.9	-37.4	174.9	-62.7	-160.7	-41.8	0	0	112.6	N633 L634 H635 Y640 T641	N633-M637 PolarHBondContact O-N 2.9Å; L634-M637 HydrophobicContact CD2-CE 3.87Å; L634-M637 PolarHBondContact O-N 3.44Å; H635-M637 VanDerWaalsContact C-N 3.28Å; H635-M637 PolarHBondContact O-N 2.96Å; M637-Y640 PolarHBondContact O-N 3.32Å; M637-T641 PolarHBondContact O-N 3.03Å; M637-T641 PolarHBondContact O-OG1 3.4Å
638	F	46.7	Very low	56.3	Low	132 Å²	132	101.3 Å²	101.3	58%	0.579	53%	0.532	S	S	*	.	H	α-helix	trans	-73.4	-26.7	-179.4	-72.6	-65.4	0	0	0	113.4	L634 H635 S642	L634-F638 HydrophobicContact CB-CE2 4.4Å; L634-F638 WeakPolarHBondContact O-CD2 3.38Å; L634-F638 PolarHBondContact O-N 3.22Å; H635-F638 PolarHBondContact O-N 3.21Å; F638-S642 PolarHBondContact O-N 3.23Å; F638-S642 PolarHBondContact O-OG 2.67Å; F638-S642 VanDerWaalsContact O-OG 3.05Å
639	H	43.5	Very low	54.1	Low	111 Å²	111	106.8 Å²	106.8	51%	0.514	57%	0.568	S	S	.	*	H	α-helix	trans	-73.9	-32.5	172.5	-76.5	-59.8	0	0	0	113.1	H635	H635-H639 AromaticContact CD2-CD2 3.7Å; H635-H639 AromaticContact CD2-NE2 3.58Å; H635-H639 AromaticContact CE1-CD2 3.96Å; H635-H639 AromaticContact CE1-NE2 3.3Å; H635-H639 PolarHBondContact CE1-NE2 3.11Å; H635-H639 VanDerWaalsContact CE1-NE2 3.3Å; H635-H639 AromaticContact NE2-CD2 3.51Å; H635-H639 AromaticContact NE2-NE2 2.88Å; H635-H639 PolarHBondContact NE2-NE2 2.85Å; H635-H639 PolarHBondContact O-CD2 2.86Å; H635-H639 PolarHBondContact O-N 2.97Å
640	Y	43.6	Very low	52	Low	204 Å²	204	110.3 Å²	110.3	80%	0.8	59%	0.59	S	S	*	*	H	α-helix	trans	-75.3	-23	173.5	-99.1	-85.4	0	0	0	114.1	D636 M637	D636-Y640 PolarHBondContact O-N 2.87Å; M637-Y640 PolarHBondContact O-N 3.32Å
641	T	43.4	Very low	49.4	Very low	98 Å²	98	112.8 Å²	112.8	60%	0.601	61%	0.607	S	S	*	*	H	α-helix	trans	-92.3	-6.1	-176.9	-33.3	0	0	0	0	113.5	M637	M637-T641 PolarHBondContact O-N 3.03Å; M637-T641 PolarHBondContact O-OG1 3.4Å
642	S	39.5	Very low	47.2	Very low	98 Å²	98	118.2 Å²	118.2	69%	0.685	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	5.3	-175.6	-70.5	0	0	0	0	116.1	F638	F638-S642 PolarHBondContact O-N 3.23Å; F638-S642 PolarHBondContact O-OG 2.67Å; F638-S642 VanDerWaalsContact O-OG 3.05Å
643	T	36.4	Very low	45	Very low	126 Å²	126	118.8 Å²	118.8	77%	0.773	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.4	11.6	178.7	46.3	0	0	0	0	115.5
644	T	35.6	Very low	43.1	Very low	100 Å²	100	122.9 Å²	122.9	61%	0.613	67%	0.672	S	S	*	*	S	Bend	trans	-126.8	128.4	173.3	104.5	0	0	0	0	108.1
645	T	36.2	Very low	41.4	Very low	136 Å²	136	125.7 Å²	125.7	83%	0.834	70%	0.696	S	S	*	*			trans	90.5	53	-170.7	74.6	0	0	0	0	117.3
646	K	38.3	Very low	40	Very low	209 Å²	209	127 Å²	127	91%	0.909	71%	0.711	S	S	*	*			trans	-108.8	103.8	141.2	-82	-173.4	178.8	174.4	0	109	P648	K646-P648 WeakPolarHBondContact O-CD 3.22Å
647	V	34	Very low	39	Very low	134 Å²	134	130 Å²	130	81%	0.812	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-66.4	121.6	164.1	178.1	0	0	0	0	107.2
648	P	36.1	Very low	38.5	Very low	106 Å²	106	131.9 Å²	131.9	69%	0.688	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-72.8	137.6	175	-9.6	25.2	0	0	0	110.1	K646	K646-P648 WeakPolarHBondContact O-CD 3.22Å
649	P	44.4	Very low	38.1	Very low	116 Å²	116	131.8 Å²	131.8	75%	0.753	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-72.1	142.4	167.7	29.8	-29.6	0	0	0	109.8
650	P	45.2	Very low	37.7	Very low	130 Å²	130	138.3 Å²	138.3	84%	0.844	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-75	137.5	-177.1	28.9	-31.5	0	0	0	112.2
651	D	33.6	Very low	37.3	Very low	158 Å²	158	140 Å²	140	85%	0.845	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-53.2	142.6	-177.8	-69.2	-52	0	0	0	115.1
652	T	37.3	Very low	37.2	Very low	144 Å²	144	140.7 Å²	140.7	88%	0.883	77%	0.773	S	S	*	*			trans	-129.1	131.8	147.7	35.2	0	0	0	0	110.1
653	T	33.5	Very low	37.1	Very low	111 Å²	111	144 Å²	144	68%	0.681	78%	0.784	S	S	*	*			trans	-74.8	149.9	-165.1	40.2	0	0	0	0	114.5
654	H	37.6	Very low	37.1	Very low	168 Å²	168	141.8 Å²	141.8	78%	0.778	79%	0.786	S	S	*	*				157	120.6	114	-90	-78.8	0	0	0	114.8
655	S	35.8	Very low	37.1	Very low	107 Å²	107	146.5 Å²	146.5	75%	0.748	80%	0.798	S	S	*	*			trans	66.4	150.5	141.1	110.4	0	0	0	0	118.5
656	S	34.6	Very low	36.8	Very low	82 Å²	82	145.9 Å²	145.9	57%	0.573	79%	0.794	S	S	*	*			cis	-179.7	164.7	-3.8	38.5	0	0	0	0	108.2
657	H	37.4	Very low	36.4	Very low	159 Å²	159	148.4 Å²	148.4	74%	0.736	80%	0.798	S	S	*	*			trans	87.1	102.5	164.6	-56.4	-64.8	0	0	0	118.5
658	I	36.6	Very low	36.2	Very low	140 Å²	140	147 Å²	147	72%	0.718	79%	0.794	S	S	*	*				82.2	112.8	70.8	-68.8	171.5	0	0	0	114
659	T	37.1	Very low	36.1	Very low	131 Å²	131	148.7 Å²	148.7	80%	0.804	80%	0.802	S	S	*	*				169.5	103.4	124.8	38.5	0	0	0	0	110.7
660	R	36.2	Very low	35.6	Very low	248 Å²	248	152.6 Å²	152.6	94%	0.936	81%	0.808	S	S	*	*				76.3	106.1	99.6	-84.8	-172.4	-179.3	178.5	1.4	118.1
661	R	34.6	Very low	34.8	Very low	240 Å²	240	157.7 Å²	157.7	91%	0.906	81%	0.81	S	S	*	*			trans	-69.4	170.1	155.8	-83.1	-175.3	-179	-174.9	1	111.4
662	P	41.3	Very low	34.8	Very low	111 Å²	111	156.5 Å²	156.5	72%	0.721	81%	0.811	S	S	*	*				-164.3	167.7	66.7	42.4	-17.8	0	0	0	122.7
663	N	37.8	Very low	34.5	Very low	169 Å²	169	153.3 Å²	153.3	90%	0.904	80%	0.799	S	S	*	*			trans	86.8	119.5	143.1	-79.9	-5.4	0	0	0	123.4
664	G	36.9	Very low	34.5	Very low	79 Å²	79	155 Å²	155	81%	0.814	80%	0.803	S	S	*	*			trans	174.5	71.5	162.3	0	0	0	0	0	116.2
665	K	35.9	Very low	34.3	Very low	198 Å²	198	153.1 Å²	153.1	86%	0.861	81%	0.809	S	S	*	*			trans	16.5	118.6	156.9	-73.5	179.9	178.4	179.1	0	123.8
666	T	29.3	Very low	34.2	Very low	123 Å²	123	153.4 Å²	153.4	76%	0.755	81%	0.808	S	S	*	*				46.6	118.8	129.4	45.9	0	0	0	0	124
667	W	29.1	Very low	34.2	Very low	262 Å²	262	154 Å²	154	99%	0.992	82%	0.817	S	S	*	*				-157.2	134.2	118.2	-102.1	-51.4	0	0	0	110.9
668	S	30.2	Very low	34	Very low	106 Å²	106	157.5 Å²	157.5	74%	0.741	83%	0.826	S	S	*	*			trans	-134.4	125.8	171.4	169.7	0	0	0	0	107.5
669	T	34.1	Very low	33.8	Very low	140 Å²	140	155.8 Å²	155.8	86%	0.859	83%	0.826	S	S	*	*			trans	-117.8	113.5	169.7	33	0	0	0	0	108.9
670	K	33.5	Very low	33.8	Very low	198 Å²	198	157.4 Å²	157.4	86%	0.861	83%	0.83	S	S	*	*			trans	-86.5	148.3	163.1	-81.8	-179.9	173.3	179.6	0	109.1
671	R	28.7	Very low	33.7	Very low	237 Å²	237	153.9 Å²	153.9	89%	0.894	82%	0.824	S	S	*	*			trans	-15.8	161	169.4	-67.5	-177.8	-173.6	-169	-0.2	118.8
672	P	34.3	Very low	33.7	Very low	134 Å²	134	150.3 Å²	150.3	87%	0.87	82%	0.823	S	S	*	*			trans	-115.4	163.9	131.4	2.2	19	0	0	0	113.2
673	A	30.4	Very low	33.5	Very low	77 Å²	77	149.9 Å²	149.9	64%	0.636	83%	0.829	S	S	*	*			trans	-119.9	161.3	-170.3	0	0	0	0	0	110.8
674	I	32.9	Very low	33.2	Very low	147 Å²	147	151.9 Å²	151.9	75%	0.754	83%	0.833	S	S	*	*			trans	71.6	127.4	145.3	-62.9	156.4	0	0	0	118.9	P676	I674-P676 HydrophobicContact CG2-CG 4.02Å
675	S	32.8	Very low	33.1	Very low	128 Å²	128	151.5 Å²	151.5	90%	0.895	83%	0.829	S	S	*	*			trans	-142	126.4	137	-74.4	0	0	0	0	109.2
676	P	35.5	Very low	32.7	Very low	112 Å²	112	146.9 Å²	146.9	73%	0.727	82%	0.822	S	S	*	*			trans	-121.5	137.5	168.8	34.1	-16.7	0	0	0	111.4	I674	I674-P676 HydrophobicContact CG2-CG 4.02Å
677	A	33.8	Very low	32.9	Very low	94 Å²	94	153 Å²	153	78%	0.777	83%	0.831	S	S	*	*			trans	173.7	116.9	149.5	0	0	0	0	0	110.3
678	Y	34.2	Very low	33	Very low	233 Å²	233	148.1 Å²	148.1	91%	0.914	82%	0.824	S	S	*	*				-163.7	102.1	128	-113	-80.2	0	0	0	107.7
679	S	30.7	Very low	33.2	Very low	104 Å²	104	146.6 Å²	146.6	73%	0.727	83%	0.825	S	S	*	*			trans	-85.1	133.8	168.6	47	0	0	0	0	109.4
680	N	36.8	Very low	33.2	Very low	166 Å²	166	147.5 Å²	147.5	89%	0.888	83%	0.825	S	S	*	*			trans	-146.5	110.2	147.5	-109.7	-8.8	0	0	0	109
681	E	34.9	Very low	33.4	Very low	174 Å²	174	146.9 Å²	146.9	81%	0.813	83%	0.825	S	S	*	*			trans	-71.4	146	167	-67.9	175.4	110	0	0	110.4
682	N	35.7	Very low	33.8	Very low	164 Å²	164	143.2 Å²	143.2	88%	0.877	82%	0.823	S	S	*	*			trans	139	91.2	146	-72.6	-31.5	0	0	0	112.6
683	A	36.2	Very low	33.9	Very low	103 Å²	103	142.4 Å²	142.4	85%	0.851	83%	0.828	S	S	*	*			trans	-166.6	91.6	141.5	0	0	0	0	0	109.2
684	Q	31.8	Very low	34.2	Very low	210 Å²	210	141.5 Å²	141.5	98%	0.981	83%	0.826	S	S	*	*			trans	-67	125.2	163.5	-79.8	172	-25.8	0	0	109.3
685	G	34.4	Very low	34.4	Very low	71 Å²	71	140.1 Å²	140.1	73%	0.732	83%	0.827	S	S	*	*			trans	-154.4	86.6	173.1	0	0	0	0	0	109.9
686	S	28.5	Very low	34.5	Very low	102 Å²	102	142.8 Å²	142.8	71%	0.713	83%	0.83	S	S	*	*			trans	-59.3	122.8	178	150	0	0	0	0	112.7
687	W	32	Very low	34.7	Very low	252 Å²	252	144.7 Å²	144.7	96%	0.955	83%	0.833	S	S	*	*			trans	-137.2	105.5	148.7	-81.6	89.7	0	0	0	109.2
688	N	31	Very low	35.2	Very low	158 Å²	158	146.8 Å²	146.8	85%	0.845	84%	0.836	S	S	*	*			trans	-69.7	135.5	164.4	-80.8	-19.3	0	0	0	109.4
689	G	34.3	Very low	35.7	Very low	74 Å²	74	144.3 Å²	144.3	76%	0.763	83%	0.833	S	S	*	*			trans	-169.2	78.6	172.1	0	0	0	0	0	110.1	Q691	G689-Q691 PolarHBondContact O-N 2.91Å
690	D	34.9	Very low	36.4	Very low	160 Å²	160	144.3 Å²	144.3	86%	0.856	83%	0.825	S	S	*	*			trans	-57.1	121.9	163.4	-80.3	-40.3	0	0	0	109.9
691	Q	37	Very low	37	Very low	185 Å²	185	142 Å²	142	86%	0.864	82%	0.819	S	S	*	*			trans	-172	107.7	139.8	-107.5	156.1	67.5	0	0	112	G689	G689-Q691 PolarHBondContact O-N 2.91Å
692	D	38.1	Very low	37.8	Very low	159 Å²	159	143.7 Å²	143.7	85%	0.85	82%	0.818	S	S	*	*			trans	34.6	103.4	141.8	-65.1	-34.7	0	0	0	119.7	G694	D692-G694 PolarHBondContact O-N 3.47Å
693	A	35.5	Very low	38.8	Very low	117 Å²	117	140.5 Å²	140.5	97%	0.967	80%	0.801	S	S	*	*			trans	-84.4	94.9	155.4	0	0	0	0	0	109.8
694	G	37.3	Very low	39.7	Very low	58 Å²	58	144.1 Å²	144.1	60%	0.598	79%	0.794	S	S	*	*			trans	-101.3	148.4	161.2	0	0	0	0	0	110.4	D692	D692-G694 PolarHBondContact O-N 3.47Å
695	P	37.6	Very low	41.7	Very low	119 Å²	119	138 Å²	138	77%	0.773	77%	0.774	S	S	*	*			trans	-68	139.1	-175	29.5	-32.4	0	0	0	110.4	L697	P695-L697 VanDerWaalsContact C-N 3.32Å; P695-L697 PolarHBondContact O-N 3.13Å
696	L	34.5	Very low	43.7	Very low	184 Å²	184	138.4 Å²	138.4	96%	0.963	76%	0.762	S	S	*	*			trans	-55.3	91.2	172.7	-81.2	162.2	0	0	0	110.4
697	L	40.7	Very low	46	Very low	151 Å²	151	139.6 Å²	139.6	79%	0.791	76%	0.757	S	S	*	*			trans	-81.6	118.5	163.1	-78.6	175.1	0	0	0	107.7	P695 E699	P695-L697 VanDerWaalsContact C-N 3.32Å; P695-L697 PolarHBondContact O-N 3.13Å; L697-E699 PolarHBondContact O-N 3.15Å
698	V	43.4	Very low	48.4	Very low	138 Å²	138	132.8 Å²	132.8	84%	0.836	74%	0.739	S	S	*	*			trans	-59.2	107.5	166.9	175.1	0	0	0	0	108.1
699	E	45.1	Very low	50.9	Low	182 Å²	182	128.3 Å²	128.3	85%	0.85	72%	0.719	S	S	*	*			trans	-70.5	129.7	172.1	-83	-178.1	135.7	0	0	110.6	L697	L697-E699 PolarHBondContact O-N 3.15Å
700	N	45.4	Very low	53.5	Low	103 Å²	103	129 Å²	129	55%	0.551	71%	0.708	S	S	*	*			trans	66.6	94.5	164.9	-83.6	-22.7	0	0	0	120.6	R702	N700-R702 PolarHBondContact O-N 3.44Å
701	P	49	Very low	56.1	Low	119 Å²	119	126 Å²	126	77%	0.773	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	0.3	165.6	-15.9	29.3	0	0	0	115.3
702	R	52.4	Low	58.6	Low	208 Å²	208	122.3 Å²	122.3	79%	0.785	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-26.6	-173	-95.3	-178.2	171.9	154.4	-1.2	114.3	N700 S705	N700-R702 PolarHBondContact O-N 3.44Å; R702-S705 PolarHBondContact O-N 2.88Å
703	D	56	Low	61.1	Low	97 Å²	97	117.3 Å²	117.3	52%	0.519	66%	0.662	S	S	.	*	H	α-helix	trans	-80.9	-27.5	-176.7	-63.5	-33.8	0	0	0	112.4	S705 T706 E707	D703-S705 VanDerWaalsContact C-N 3.28Å; D703-S705 PolarHBondContact O-N 3.1Å; D703-T706 PolarHBondContact O-N 3.41Å; D703-T706 PolarHBondContact O-OG1 2.93Å; D703-E707 PolarHBondContact O-N 3.47Å
704	Y	56	Low	63.8	Low	179 Å²	179	115.5 Å²	115.5	70%	0.702	64%	0.639	S	S	*	*	H	α-helix	trans	-62.8	-30.1	171.1	-93.3	-82.6	0	0	0	113.5	L708	Y704-L708 WeakPolarHBondContact O-CB 3.43Å; Y704-L708 PolarHBondContact O-N 3.36Å; Y704-L708 VanDerWaalsContact O-N 3.13Å
705	S	73	Confident	66.5	Low	81 Å²	81	114.7 Å²	114.7	57%	0.566	63%	0.631	S	S	*	*	H	α-helix	trans	-71.4	-35	-179.2	-174.8	0	0	0	0	112.1	R702 D703 S709	R702-S705 PolarHBondContact O-N 2.88Å; D703-S705 VanDerWaalsContact C-N 3.28Å; D703-S705 PolarHBondContact O-N 3.1Å; S705-S709 VanDerWaalsContact O-CB 3.28Å; S705-S709 WeakPolarHBondContact O-CB 3.4Å; S705-S709 PolarHBondContact O-N 3.5Å; S705-S709 VanDerWaalsContact O-N 3.1Å; S705-S709 PolarHBondContact O-OG 3.18Å
706	T	76.3	Confident	69.1	Low	80 Å²	80	111.8 Å²	111.8	49%	0.491	62%	0.616	S	S	.	*	H	α-helix	trans	-73	-47	179.3	27.9	0	0	0	0	111.4	D703 L708 S709 V710	D703-T706 PolarHBondContact O-N 3.41Å; D703-T706 PolarHBondContact O-OG1 2.93Å; T706-L708 PolarHBondContact O-N 3.19Å; T706-S709 PolarHBondContact O-N 2.84Å; T706-S709 PolarHBondContact O-OG 3.18Å; T706-V710 WeakPolarHBondContact O-CG2 3.45Å; T706-V710 PolarHBondContact O-N 3.41Å
707	E	75.9	Confident	71.8	Confident	127 Å²	127	106.4 Å²	106.4	59%	0.593	59%	0.594	S	S	*	*	H	α-helix	trans	-64.6	-40.9	179.3	-66.1	-177.5	171.7	0	0	112.3	D703 V710 T711	D703-E707 PolarHBondContact O-N 3.47Å; E707-V710 PolarHBondContact O-N 2.59Å; E707-T711 WeakPolarHBondContact O-CB 3.36Å; E707-T711 PolarHBondContact O-N 2.74Å; E707-T711 PolarHBondContact O-OG1 3.18Å
708	L	82.7	Confident	74.3	Confident	110 Å²	110	103.9 Å²	103.9	58%	0.576	58%	0.581	S	S	*	*	H	α-helix	trans	-62.9	-43.2	174	-174.7	67.5	0	0	0	111.4	Y704 T706 V710 T711 I712	Y704-L708 WeakPolarHBondContact O-CB 3.43Å; Y704-L708 PolarHBondContact O-N 3.36Å; Y704-L708 VanDerWaalsContact O-N 3.13Å; T706-L708 PolarHBondContact O-N 3.19Å; L708-V710 PolarHBondContact O-N 2.93Å; L708-T711 PolarHBondContact O-N 3.23Å; L708-I712 HydrophobicContact CD1-CD1 4.23Å; L708-I712 HydrophobicContact CD2-CD1 4.48Å; L708-I712 HydrophobicContact CG-CD1 3.87Å; L708-I712 WeakPolarHBondContact O-CB 3.34Å; L708-I712 VanDerWaalsContact O-CG1 3.24Å; L708-I712 WeakPolarHBondContact O-CG1 3.4Å; L708-I712 PolarHBondContact O-N 3.3Å
709	S	83	Confident	76.7	Confident	63 Å²	63	103.1 Å²	103.1	44%	0.441	57%	0.572	S	S	.	*	H	α-helix	trans	-64.4	-39	178.8	73.4	0	0	0	0	112.8	S705 T706 A713	S705-S709 VanDerWaalsContact O-CB 3.28Å; S705-S709 WeakPolarHBondContact O-CB 3.4Å; S705-S709 PolarHBondContact O-N 3.5Å; S705-S709 VanDerWaalsContact O-N 3.1Å; S705-S709 PolarHBondContact O-OG 3.18Å; T706-S709 PolarHBondContact O-N 2.84Å; T706-S709 PolarHBondContact O-OG 3.18Å; S709-A713 WeakPolarHBondContact O-CB 3.04Å; S709-A713 PolarHBondContact O-N 3.17Å
710	V	89.5	Confident	79	Confident	88 Å²	88	101 Å²	101	53%	0.533	56%	0.56	S	S	.	*	H	α-helix	trans	-66.6	-44	175.9	173.1	0	0	0	0	110.2	T706 E707 L708 I712 A713 V714	T706-V710 WeakPolarHBondContact O-CG2 3.45Å; T706-V710 PolarHBondContact O-N 3.41Å; E707-V710 PolarHBondContact O-N 2.59Å; L708-V710 PolarHBondContact O-N 2.93Å; V710-I712 PolarHBondContact O-N 2.75Å; V710-A713 PolarHBondContact O-N 3.37Å; V710-V714 HydrophobicContact CG1-CG2 4.4Å; V710-V714 WeakPolarHBondContact O-CG2 3.45Å; V710-V714 PolarHBondContact O-N 3.12Å
711	T	88.9	Confident	81.3	Confident	99 Å²	99	101.1 Å²	101.1	61%	0.607	56%	0.56	S	S	*	*	H	α-helix	trans	-62.8	-43.6	178.7	-55.4	0	0	0	0	111.6	E707 L708 V714 G715	E707-T711 WeakPolarHBondContact O-CB 3.36Å; E707-T711 PolarHBondContact O-N 2.74Å; E707-T711 PolarHBondContact O-OG1 3.18Å; L708-T711 PolarHBondContact O-N 3.23Å; T711-V714 PolarHBondContact O-N 3.05Å; T711-G715 PolarHBondContact O-N 3.37Å
712	I	90.4	Very high	83.2	Confident	107 Å²	107	100.1 Å²	100.1	55%	0.549	55%	0.548	S	S	.	.	H	α-helix	trans	-62.8	-42.5	175	-68.2	168.3	0	0	0	110.7	L708 V710 G715 A716	L708-I712 HydrophobicContact CD1-CD1 4.23Å; L708-I712 HydrophobicContact CD2-CD1 4.48Å; L708-I712 HydrophobicContact CG-CD1 3.87Å; L708-I712 WeakPolarHBondContact O-CB 3.34Å; L708-I712 VanDerWaalsContact O-CG1 3.24Å; L708-I712 WeakPolarHBondContact O-CG1 3.4Å; L708-I712 PolarHBondContact O-N 3.3Å; V710-I712 PolarHBondContact O-N 2.75Å; I712-G715 PolarHBondContact O-N 3.26Å; I712-A716 WeakPolarHBondContact O-CB 3.44Å; I712-A716 PolarHBondContact O-N 3.49Å
713	A	89.8	Confident	85.2	Confident	53 Å²	53	94.4 Å²	94.4	44%	0.438	54%	0.536	S	S	.	.	H	α-helix	trans	-64.7	-42.3	179.1	0	0	0	0	0	112.5	S709 V710 S717	S709-A713 WeakPolarHBondContact O-CB 3.04Å; S709-A713 PolarHBondContact O-N 3.17Å; V710-A713 PolarHBondContact O-N 3.37Å; A713-S717 WeakPolarHBondContact O-CB 3.11Å; A713-S717 PolarHBondContact O-N 2.82Å; A713-S717 PolarHBondContact O-OG 3.46Å
714	V	94.1	Very high	87	Confident	80 Å²	80	94 Å²	94	49%	0.485	53%	0.534	S	S	.	.	H	α-helix	trans	-65.5	-45.2	175.3	174.4	0	0	0	0	110.4	V710 T711 A716 S717 L718	V710-V714 HydrophobicContact CG1-CG2 4.4Å; V710-V714 WeakPolarHBondContact O-CG2 3.45Å; V710-V714 PolarHBondContact O-N 3.12Å; T711-V714 PolarHBondContact O-N 3.05Å; V714-A716 PolarHBondContact O-N 3.01Å; V714-S717 PolarHBondContact O-N 2.77Å; V714-L718 HydrophobicContact CG1-CD1 4.14Å; V714-L718 WeakPolarHBondContact O-CG 3.5Å; V714-L718 PolarHBondContact O-N 3.07Å
715	G	92.2	Very high	88.7	Confident	41 Å²	41	87.8 Å²	87.8	42%	0.423	52%	0.519	S	S	.	.	H	α-helix	trans	-59.3	-45.4	176.6	0	0	0	0	0	113.1	T711 I712 S717 L718 L719	T711-G715 PolarHBondContact O-N 3.37Å; I712-G715 PolarHBondContact O-N 3.26Å; G715-S717 PolarHBondContact O-N 2.76Å; G715-L718 PolarHBondContact O-N 2.51Å; G715-L719 WeakPolarHBondContact O-CB 3.33Å; G715-L719 PolarHBondContact O-N 3.43Å
716	A	92.1	Very high	89.6	Confident	57 Å²	57	91 Å²	91	47%	0.471	52%	0.523	S	S	.	.	H	α-helix	trans	-65.4	-37.5	176.9	0	0	0	0	0	112.5	I712 V714 L719 F720	I712-A716 WeakPolarHBondContact O-CB 3.44Å; I712-A716 PolarHBondContact O-N 3.49Å; V714-A716 PolarHBondContact O-N 3.01Å; A716-L719 PolarHBondContact O-N 3.39Å; A716-F720 WeakPolarHBondContact O-CB 3.38Å; A716-F720 PolarHBondContact O-N 2.9Å
717	S	91.7	Very high	90.3	Very high	71 Å²	71	89.9 Å²	89.9	50%	0.497	52%	0.522	S	S	.	.	H	α-helix	trans	-66.2	-42	177.6	-59.8	0	0	0	0	111.9	A713 V714 G715 F720 L721	A713-S717 WeakPolarHBondContact O-CB 3.11Å; A713-S717 PolarHBondContact O-N 2.82Å; A713-S717 PolarHBondContact O-OG 3.46Å; V714-S717 PolarHBondContact O-N 2.77Å; G715-S717 PolarHBondContact O-N 2.76Å; S717-F720 PolarHBondContact O-N 2.76Å; S717-L721 WeakPolarHBondContact O-CG 3.49Å; S717-L721 PolarHBondContact O-N 3.21Å
718	L	94.4	Very high	90.9	Very high	98 Å²	98	86.6 Å²	86.6	51%	0.513	52%	0.516	S	S	.	.	H	α-helix	trans	-66.7	-39.3	175.4	-70.9	172.8	0	0	0	112.1	V714 G715 L721 N722	V714-L718 HydrophobicContact CG1-CD1 4.14Å; V714-L718 WeakPolarHBondContact O-CG 3.5Å; V714-L718 PolarHBondContact O-N 3.07Å; G715-L718 PolarHBondContact O-N 2.51Å; L718-L721 PolarHBondContact O-N 3.47Å; L718-N722 PolarHBondContact O-N 2.87Å; L718-N722 PolarHBondContact O-ND2 3.34Å
719	L	93.4	Very high	91.2	Very high	123 Å²	123	86.5 Å²	86.5	64%	0.644	52%	0.516	S	S	*	.	H	α-helix	trans	-60	-46.9	173.5	-169	92.3	0	0	0	110.9	G715 A716 N722 V723	G715-L719 WeakPolarHBondContact O-CB 3.33Å; G715-L719 PolarHBondContact O-N 3.43Å; A716-L719 PolarHBondContact O-N 3.39Å; L719-N722 PolarHBondContact O-N 3Å; L719-V723 WeakPolarHBondContact O-CG2 3.19Å; L719-V723 PolarHBondContact O-N 3.26Å
720	F	92.4	Very high	91.4	Very high	136 Å²	136	91.7 Å²	91.7	60%	0.596	53%	0.527	S	S	*	.	H	α-helix	trans	-64.6	-41.5	-179.7	-163.4	-100.8	0	0	0	112.3	A716 S717 N722 V723 L724	A716-F720 WeakPolarHBondContact O-CB 3.38Å; A716-F720 PolarHBondContact O-N 2.9Å; S717-F720 PolarHBondContact O-N 2.76Å; F720-N722 PolarHBondContact O-N 3.02Å; F720-V723 PolarHBondContact O-N 2.75Å; F720-L724 HydrophobicContact CD1-CD1 3.75Å; F720-L724 HydrophobicContact CD1-CG 4.16Å; F720-L724 HydrophobicContact CE1-CD1 3.59Å; F720-L724 HydrophobicContact CE1-CD2 4.37Å; F720-L724 HydrophobicContact CE1-CG 4.01Å; F720-L724 WeakPolarHBondContact O-CG 3.48Å; F720-L724 PolarHBondContact O-N 3.28Å
721	L	93.3	Very high	91.3	Very high	107 Å²	107	95.1 Å²	95.1	56%	0.56	53%	0.532	S	S	*	.	H	α-helix	trans	-61.1	-42.2	174.1	-79.6	170.5	0	0	0	112.2	S717 L718 L724 A725	S717-L721 WeakPolarHBondContact O-CG 3.49Å; S717-L721 PolarHBondContact O-N 3.21Å; L718-L721 PolarHBondContact O-N 3.47Å; L721-L724 PolarHBondContact O-N 3.41Å; L721-A725 WeakPolarHBondContact O-CB 3.41Å; L721-A725 PolarHBondContact O-N 3.47Å
722	N	90.6	Very high	91	Very high	98 Å²	98	99.3 Å²	99.3	52%	0.524	54%	0.536	S	S	.	.	H	α-helix	trans	-64	-42.8	175.9	-79	-32.2	0	0	0	111.8	L718 L719 F720 L724 A725 F726	L718-N722 PolarHBondContact O-N 2.87Å; L718-N722 PolarHBondContact O-ND2 3.34Å; L719-N722 PolarHBondContact O-N 3Å; F720-N722 PolarHBondContact O-N 3.02Å; N722-L724 PolarHBondContact O-N 3.31Å; N722-A725 PolarHBondContact O-N 3.38Å; N722-F726 WeakPolarHBondContact O-CD2 3.5Å; N722-F726 PolarHBondContact O-N 2.97Å
723	V	93.2	Very high	90.7	Very high	87 Å²	87	100.3 Å²	100.3	53%	0.527	54%	0.537	S	S	.	.	H	α-helix	trans	-61.1	-43.8	175.8	171.9	0	0	0	0	111.4	L719 F720 F726 A727	L719-V723 WeakPolarHBondContact O-CG2 3.19Å; L719-V723 PolarHBondContact O-N 3.26Å; F720-V723 PolarHBondContact O-N 2.75Å; V723-F726 PolarHBondContact O-N 2.96Å; V723-A727 WeakPolarHBondContact O-CB 3.45Å; V723-A727 PolarHBondContact O-N 3.28Å
724	L	93.8	Very high	90.2	Very high	90 Å²	90	100.9 Å²	100.9	47%	0.471	53%	0.532	S	S	.	.	H	α-helix	trans	-63.7	-40.3	176	-72	177.8	0	0	0	112.4	F720 L721 N722 A727 A728	F720-L724 HydrophobicContact CD1-CD1 3.75Å; F720-L724 HydrophobicContact CD1-CG 4.16Å; F720-L724 HydrophobicContact CE1-CD1 3.59Å; F720-L724 HydrophobicContact CE1-CD2 4.37Å; F720-L724 HydrophobicContact CE1-CG 4.01Å; F720-L724 WeakPolarHBondContact O-CG 3.48Å; F720-L724 PolarHBondContact O-N 3.28Å; L721-L724 PolarHBondContact O-N 3.41Å; N722-L724 PolarHBondContact O-N 3.31Å; L724-A727 PolarHBondContact O-N 2.97Å; L724-A728 WeakPolarHBondContact O-CB 3.37Å; L724-A728 PolarHBondContact O-N 3.02Å
725	A	91.4	Very high	89.2	Confident	48 Å²	48	103.9 Å²	103.9	40%	0.397	54%	0.539	S	S	.	.	H	α-helix	trans	-62.7	-44.2	176.2	0	0	0	0	0	111.7	L721 N722 A728 L729	L721-A725 WeakPolarHBondContact O-CB 3.41Å; L721-A725 PolarHBondContact O-N 3.47Å; N722-A725 PolarHBondContact O-N 3.38Å; A725-A728 PolarHBondContact O-N 2.99Å; A725-L729 WeakPolarHBondContact O-CB 3.35Å; A725-L729 WeakPolarHBondContact O-CG 3.4Å; A725-L729 PolarHBondContact O-N 3.09Å
726	F	91.5	Very high	88	Confident	149 Å²	149	112.1 Å²	112.1	65%	0.654	56%	0.557	S	S	*	*	H	α-helix	trans	-64.9	-41.8	174.7	-82.7	-68.4	0	0	0	112.4	N722 V723 A728 L729 Y730	N722-F726 WeakPolarHBondContact O-CD2 3.5Å; N722-F726 PolarHBondContact O-N 2.97Å; V723-F726 PolarHBondContact O-N 2.96Å; F726-A728 PolarHBondContact O-N 3.3Å; F726-L729 PolarHBondContact O-N 3.48Å; F726-Y730 WeakPolarHBondContact O-CB 3.37Å; F726-Y730 PolarHBondContact O-N 2.98Å
727	A	91.4	Very high	86.4	Confident	55 Å²	55	118.3 Å²	118.3	46%	0.455	57%	0.568	S	S	.	*	H	α-helix	trans	-62.3	-41.9	175.9	0	0	0	0	0	111.9	V723 L724 Y730 Y731	V723-A727 WeakPolarHBondContact O-CB 3.45Å; V723-A727 PolarHBondContact O-N 3.28Å; L724-A727 PolarHBondContact O-N 2.97Å; A727-Y730 PolarHBondContact O-N 2.86Å; A727-Y731 WeakPolarHBondContact O-CB 3.37Å; A727-Y731 PolarHBondContact O-N 3.38Å
728	A	89.5	Confident	84.7	Confident	58 Å²	58	121.5 Å²	121.5	48%	0.479	58%	0.575	S	S	.	*	H	α-helix	trans	-65.2	-41.6	176.3	0	0	0	0	0	112.3	L724 A725 F726 Y731 R732	L724-A728 WeakPolarHBondContact O-CB 3.37Å; L724-A728 PolarHBondContact O-N 3.02Å; A725-A728 PolarHBondContact O-N 2.99Å; F726-A728 PolarHBondContact O-N 3.3Å; A728-Y731 PolarHBondContact O-N 3.37Å; A728-R732 WeakPolarHBondContact O-CB 3.46Å; A728-R732 PolarHBondContact O-N 3.27Å
729	L	88.3	Confident	82.6	Confident	109 Å²	109	125 Å²	125	57%	0.571	59%	0.589	S	S	*	*	H	α-helix	trans	-64.4	-41.3	174.2	-75.3	172.1	0	0	0	111.8	A725 F726 R732 K733	A725-L729 WeakPolarHBondContact O-CB 3.35Å; A725-L729 WeakPolarHBondContact O-CG 3.4Å; A725-L729 PolarHBondContact O-N 3.09Å; F726-L729 PolarHBondContact O-N 3.48Å; L729-R732 PolarHBondContact O-N 3.48Å; L729-K733 WeakPolarHBondContact O-CB 3.46Å; L729-K733 PolarHBondContact O-N 3.3Å
730	Y	88	Confident	80.3	Confident	171 Å²	171	124.7 Å²	124.7	67%	0.671	59%	0.594	S	S	*	*	H	α-helix	trans	-63.5	-45.9	176.6	-167.5	-91.5	0	0	0	111.3	F726 A727 R732 K733 D734	F726-Y730 WeakPolarHBondContact O-CB 3.37Å; F726-Y730 PolarHBondContact O-N 2.98Å; A727-Y730 PolarHBondContact O-N 2.86Å; Y730-R732 PolarHBondContact O-N 3.34Å; Y730-K733 PolarHBondContact O-N 3.49Å; Y730-K733 VanDerWaalsContact O-N 3.15Å; Y730-D734 PolarHBondContact O-N 3.41Å
731	Y	86.3	Confident	77.7	Confident	161 Å²	161	126 Å²	126	63%	0.631	61%	0.606	S	S	*	*	H	α-helix	trans	-62.6	-39.4	175.9	-173	-104	0	0	0	112.5	A727 A728 K733 D734 K735	A727-Y731 WeakPolarHBondContact O-CB 3.37Å; A727-Y731 PolarHBondContact O-N 3.38Å; A728-Y731 PolarHBondContact O-N 3.37Å; Y731-K733 VanDerWaalsContact C-N 3.33Å; Y731-K733 PolarHBondContact O-N 2.9Å; Y731-D734 PolarHBondContact O-N 2.94Å; Y731-K735 WeakPolarHBondContact O-CB 3.42Å; Y731-K735 PolarHBondContact O-N 3.35Å
732	R	83.6	Confident	75	Confident	187 Å²	187	132.6 Å²	132.6	71%	0.706	62%	0.624	S	S	*	*	H	α-helix	trans	-63.7	-37.1	173.8	-114.5	-178.4	168.1	-176.7	-2.4	112.5	A728 L729 Y730 R736	A728-R732 WeakPolarHBondContact O-CB 3.46Å; A728-R732 PolarHBondContact O-N 3.27Å; L729-R732 PolarHBondContact O-N 3.48Å; Y730-R732 PolarHBondContact O-N 3.34Å; R732-R736 PolarHBondContact O-N 2.97Å
733	K	82.6	Confident	72.5	Confident	128 Å²	128	136 Å²	136	56%	0.557	64%	0.637	S	S	*	*	H	α-helix	trans	-71.4	-39.3	177.2	-173.5	175.4	179	176.3	0	111.7	L729 Y730 Y731 R736 R737	L729-K733 WeakPolarHBondContact O-CB 3.46Å; L729-K733 PolarHBondContact O-N 3.3Å; Y730-K733 PolarHBondContact O-N 3.49Å; Y730-K733 VanDerWaalsContact O-N 3.15Å; Y731-K733 VanDerWaalsContact C-N 3.33Å; Y731-K733 PolarHBondContact O-N 2.9Å; K733-R736 PolarHBondContact O-N 3.37Å; K733-R737 PolarHBondContact O-N 2.98Å
734	D	79.8	Confident	69.8	Low	64 Å²	64	137.6 Å²	137.6	34%	0.342	65%	0.649	S	S	.	*	H	α-helix	trans	-70.4	-40	178.7	-163.5	50	0	0	0	112.1	Y730 Y731 R736 R737 Q738	Y730-D734 PolarHBondContact O-N 3.41Å; Y731-D734 PolarHBondContact O-N 2.94Å; D734-R736 PolarHBondContact O-N 2.89Å; D734-R737 WeakPolarHBondContact O-CA 3.42Å; D734-R737 WeakPolarHBondContact O-CB 3.5Å; D734-R737 PolarHBondContact O-N 3.48Å; D734-Q738 PolarHBondContact O-N 3.38Å; D734-Q738 PolarHBondContact OD2-NE2 2.89Å
735	K	73.1	Confident	67	Low	143 Å²	143	138.6 Å²	138.6	62%	0.622	66%	0.664	S	S	*	*	H	α-helix	trans	-61.4	-29.1	174.4	-163.5	175.2	-178.3	179.8	0	113	Y731 R737	Y731-K735 WeakPolarHBondContact O-CB 3.42Å; Y731-K735 PolarHBondContact O-N 3.35Å; K735-R737 VanDerWaalsContact C-N 3.34Å
736	R	66.5	Low	64.8	Low	214 Å²	214	142 Å²	142	81%	0.808	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-16.8	172.5	-76	-173.4	-177.5	-169.2	0.9	113.9	R732 K733 D734	R732-R736 PolarHBondContact O-N 2.97Å; K733-R736 PolarHBondContact O-N 3.37Å; D734-R736 PolarHBondContact O-N 2.89Å
737	R	60.2	Low	62.3	Low	188 Å²	188	144.3 Å²	144.3	71%	0.709	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-15	176.5	-75.5	-177.5	170.6	-168.6	-4.8	113.4	K733 D734 K735	K733-R737 PolarHBondContact O-N 2.98Å; D734-R737 WeakPolarHBondContact O-CA 3.42Å; D734-R737 WeakPolarHBondContact O-CB 3.5Å; D734-R737 PolarHBondContact O-N 3.48Å; K735-R737 VanDerWaalsContact C-N 3.34Å
738	Q	55.2	Low	59.5	Low	137 Å²	137	153.8 Å²	153.8	64%	0.64	72%	0.718	S	S	*	*			trans	-96.1	8	-177	-72.4	-176.9	3.1	0	0	115.2	D734 P740	D734-Q738 PolarHBondContact O-N 3.38Å; D734-Q738 PolarHBondContact OD2-NE2 2.89Å; Q738-P740 WeakPolarHBondContact O-CD 3.49Å
739	E	49.9	Very low	57	Low	171 Å²	171	154.5 Å²	154.5	80%	0.799	73%	0.731	S	S	*	*			trans	-82.5	109.9	166.2	-86.7	-174	157.5	0	0	110.3
740	P	45.3	Very low	54.5	Low	117 Å²	117	154.5 Å²	154.5	76%	0.76	75%	0.747	S	S	*	*			trans	-85	134	179.8	-0.1	21.2	0	0	0	110.2	Q738 R742	Q738-P740 WeakPolarHBondContact O-CD 3.49Å; P740-R742 PolarHBondContact O-N 2.96Å
741	L	39.2	Very low	52.1	Low	163 Å²	163	149.9 Å²	149.9	85%	0.853	75%	0.752	S	S	*	*			trans	-48	125.9	167.9	-77.9	91.6	0	0	0	111.2
742	R	35.9	Very low	49.7	Very low	246 Å²	246	147.1 Å²	147.1	93%	0.928	76%	0.762	S	S	*	*			trans	-115.9	102	155.7	-97.3	-173.7	171.7	166.5	-1.2	109	P740	P740-R742 PolarHBondContact O-N 2.96Å
743	Q	37.3	Very low	47.7	Very low	171 Å²	171	143.9 Å²	143.9	80%	0.799	77%	0.765	S	S	*	*			trans	-85.4	156.6	151.2	-94.9	178.8	-24.2	0	0	109.1
744	P	37.2	Very low	45.6	Very low	119 Å²	119	146 Å²	146	77%	0.773	78%	0.777	S	S	*	*				-144.9	131.2	109.2	29.3	-10	0	0	0	116.3
745	S	35.1	Very low	43.5	Very low	112 Å²	112	150.4 Å²	150.4	78%	0.783	80%	0.8	S	S	*	*			trans	68.5	146.9	131.4	-48.4	0	0	0	0	123.9
746	P	44.6	Very low	41.6	Very low	120 Å²	120	147.1 Å²	147.1	78%	0.779	81%	0.806	S	S	*	*			trans	-114.3	159.2	-159.6	39.1	-25	0	0	0	114.7
747	Q	39.6	Very low	40.2	Very low	196 Å²	196	141.6 Å²	141.6	92%	0.916	81%	0.807	S	S	*	*			trans	-163	115.3	154.4	-112.2	171.7	18.5	0	0	115
748	R	33.1	Very low	38.9	Very low	255 Å²	255	137.5 Å²	137.5	96%	0.962	81%	0.812	S	S	*	*			trans	22	136.3	141	-96.7	176.9	177.5	165.9	-0.3	123
749	G	37.2	Very low	38.2	Very low	72 Å²	72	136.5 Å²	136.5	74%	0.742	82%	0.818	S	S	*	*			trans	139.2	88	144.5	0	0	0	0	0	112.6
750	A	35.1	Very low	37.5	Very low	110 Å²	110	136.6 Å²	136.6	91%	0.909	82%	0.819	S	S	*	*				93	123.9	83.7	0	0	0	0	0	113.7
751	G	36.5	Very low	36.9	Very low	74 Å²	74	139.1 Å²	139.1	76%	0.763	82%	0.82	S	S	*	*			trans	109.8	77.9	168.8	0	0	0	0	0	113.7
752	A	37.7	Very low	36.6	Very low	103 Å²	103	140.2 Å²	140.2	85%	0.851	82%	0.821	S	S	*	*				85.2	143.5	79.3	0	0	0	0	0	113.8
753	P	41.7	Very low	36.5	Very low	118 Å²	118	136 Å²	136	77%	0.766	82%	0.816	S	S	*	*			trans	-119.3	-173.3	-140	40.3	-25	0	0	0	113.1
754	E	37.6	Very low	36.5	Very low	174 Å²	174	132.8 Å²	132.8	81%	0.813	82%	0.818	S	S	*	*			trans	135.5	146.4	160.3	-81.6	-162.2	143.2	0	0	110.7
755	L	35	Very low	36.3	Very low	156 Å²	156	131.4 Å²	131.4	82%	0.817	82%	0.817	S	S	*	*			cis	-174.1	150.6	-17.1	-147.7	107.3	0	0	0	105.3
756	G	34.4	Very low	36.2	Very low	74 Å²	74	133.9 Å²	133.9	76%	0.763	82%	0.821	S	S	*	*			trans	96.4	146.9	162.8	0	0	0	0	0	115.5
757	A	35.6	Very low	35.7	Very low	98 Å²	98	136.8 Å²	136.8	81%	0.81	82%	0.824	S	S	*	*			cis	-166.7	135.8	-10.2	0	0	0	0	0	106.4
758	A	34.2	Very low	35.6	Very low	101 Å²	101	135.5 Å²	135.5	84%	0.835	82%	0.822	S	S	*	*			trans	35.4	158.5	139.7	0	0	0	0	0	123.7
759	P	40.8	Very low	35.4	Very low	116 Å²	116	126.7 Å²	126.7	75%	0.753	81%	0.81	S	S	*	*			trans	-109.1	169.8	-149.7	41.8	-31.9	0	0	0	115.1
760	E	34.9	Very low	35.5	Very low	174 Å²	174	128.9 Å²	128.9	81%	0.813	81%	0.812	S	S	*	*			trans	174.6	130.4	148.6	-102	166.9	-175.8	0	0	111.4
761	E	33	Very low	35.5	Very low	170 Å²	170	129.4 Å²	129.4	79%	0.794	80%	0.804	S	S	*	*				55.7	121.6	120.4	-76	-170.8	135.8	0	0	117.8
762	E	32.6	Very low	35.4	Very low	185 Å²	185	133.1 Å²	133.1	86%	0.864	80%	0.801	S	S	*	*				176.4	150.1	108	-116.7	-174.5	142	0	0	114.1
763	L	33.8	Very low	35.3	Very low	159 Å²	159	137.3 Å²	137.3	83%	0.832	80%	0.802	S	S	*	*			trans	-56.4	157.4	172.4	-78.2	70.9	0	0	0	113.9
764	A	36	Very low	34.9	Very low	102 Å²	102	139.2 Å²	139.2	84%	0.843	80%	0.801	S	S	*	*				167.5	142.4	111.9	0	0	0	0	0	112.9
765	A	33.1	Very low	34.7	Very low	90 Å²	90	136.8 Å²	136.8	74%	0.744	80%	0.802	S	S	*	*			trans	-63.6	164	178.1	0	0	0	0	0	114.5
766	L	34.1	Very low	34.6	Very low	165 Å²	165	138.4 Å²	138.4	86%	0.864	81%	0.806	S	S	*	*			trans	-161.7	112.8	146.1	-104.4	155.1	0	0	0	111.5	L768	L766-L768 HydrophobicContact CD2-CD1 4.39Å
767	Q	32.9	Very low	34.7	Very low	180 Å²	180	139.5 Å²	139.5	84%	0.841	81%	0.808	S	S	*	*			trans	-74.5	155.4	158.6	-69.4	163.7	-49.9	0	0	109.9
768	L	37.2	Very low	34.5	Very low	170 Å²	170	138.3 Å²	138.3	89%	0.89	81%	0.805	S	S	*	*			trans	176.7	125.2	140.8	-94.6	146.4	0	0	0	111.3	L766	L766-L768 HydrophobicContact CD2-CD1 4.39Å
769	G	30.2	Very low	34.7	Very low	69 Å²	69	139.5 Å²	139.5	71%	0.711	80%	0.804	S	S	*	*			trans	-81.8	-149.8	164.9	0	0	0	0	0	111.9
770	P	40.1	Very low	34.9	Very low	118 Å²	118	138.9 Å²	138.9	77%	0.766	80%	0.8	S	S	*	*			cis	-142.6	-168.9	1.3	30.5	-4.2	0	0	0	115.7
771	T	34.1	Very low	35.1	Very low	121 Å²	121	139 Å²	139	74%	0.742	80%	0.8	S	S	*	*			trans	120	113.2	143.5	66.3	0	0	0	0	122.3
772	H	33.4	Very low	34.9	Very low	152 Å²	152	137.2 Å²	137.2	70%	0.704	80%	0.796	S	S	*	*			trans	52.4	123	133	-74.2	-87.9	0	0	0	125.2
773	H	37.5	Very low	34.9	Very low	191 Å²	191	133.9 Å²	133.9	88%	0.884	79%	0.788	S	S	*	*				-169.5	136.9	105.2	-108.2	-61.8	0	0	0	113.7
774	E	32.5	Very low	34.9	Very low	158 Å²	158	133.3 Å²	133.3	74%	0.738	79%	0.785	S	S	*	*			trans	-87.6	163.1	-178.4	-69	163.6	115.2	0	0	114.8
775	C	34	Very low	34.4	Very low	124 Å²	124	139.1 Å²	139.1	84%	0.838	79%	0.785	S	S	*	*				177.2	120.5	115.6	-91.3	0	0	0	0	114.7
776	E	32.9	Very low	34.1	Very low	190 Å²	190	141.6 Å²	141.6	89%	0.888	79%	0.785	S	S	*	*			trans	-8	167.7	147.2	-74.9	-180	137.9	0	0	122
777	A	34.8	Very low	33.7	Very low	97 Å²	97	139.7 Å²	139.7	80%	0.802	78%	0.781	S	S	*	*			cis	-169.6	147.3	-2.3	0	0	0	0	0	107.7
778	G	32.4	Very low	33.6	Very low	73 Å²	73	135.9 Å²	135.9	75%	0.753	78%	0.78	S	S	*	*				139.9	158.1	91.3	0	0	0	0	0	113
779	P	38.6	Very low	33.2	Very low	126 Å²	126	135.1 Å²	135.1	82%	0.818	78%	0.776	S	S	*	*			trans	-121.9	-150.3	-157	40.2	-22.1	0	0	0	113.4
780	P	45.6	Very low	33.4	Very low	103 Å²	103	137.6 Å²	137.6	67%	0.669	78%	0.78	S	S	*	*				-118.2	173.8	-52.7	31.9	-14.5	0	0	0	112.3
781	H	37.6	Very low	33.2	Very low	177 Å²	177	139 Å²	139	82%	0.819	78%	0.78	S	S	*	*			trans	-173.7	124.3	151	-93.7	-59.6	0	0	0	113.8
782	D	29.3	Very low	33	Very low	132 Å²	132	144.1 Å²	144.1	71%	0.706	79%	0.788	S	S	*	*			trans	30.9	133.1	132.4	-68.2	-45.2	0	0	0	119.7
783	T	32	Very low	33.1	Very low	114 Å²	114	142.1 Å²	142.1	70%	0.699	79%	0.787	S	S	*	*				175.2	145.4	54.5	9.3	0	0	0	0	110.9
784	L	34	Very low	32.8	Very low	147 Å²	147	141.1 Å²	141.1	77%	0.77	79%	0.787	S	S	*	*			trans	69.6	109	147.6	-61.1	162.8	0	0	0	120.6
785	R	26.3	Very low	32.7	Very low	224 Å²	224	138.4 Å²	138.4	85%	0.845	78%	0.781	S	S	*	*				71.5	105.4	82.6	-100.8	-163.5	-174.9	-172.1	3.4	115.6
786	L	27.1	Very low	32.7	Very low	142 Å²	142	140.8 Å²	140.8	74%	0.743	79%	0.785	S	S	*	*				159.1	119.6	114.8	-112.6	84.9	0	0	0	112.7
787	T	25.8	Very low	32.6	Very low	125 Å²	125	142.4 Å²	142.4	77%	0.767	78%	0.783	S	S	*	*			trans	34.9	117.2	137.1	57.3	0	0	0	0	121.3
788	A	29.2	Very low	32.6	Very low	100 Å²	100	147 Å²	147	83%	0.826	78%	0.779	S	S	*	*			trans	-168.5	150.4	138.6	0	0	0	0	0	111.6
789	L	29.2	Very low	32.8	Very low	154 Å²	154	144.9 Å²	144.9	81%	0.806	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-64.3	159.1	-160.8	-71.9	79.8	0	0	0	116.6
790	P	36	Very low	32.8	Very low	121 Å²	121	142.2 Å²	142.2	79%	0.786	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-79.1	121.8	169.2	30.9	-28	0	0	0	111.3
791	D	34.4	Very low	33.2	Very low	147 Å²	147	137.7 Å²	137.7	79%	0.786	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-56	131.1	178.6	-72.7	-47.4	0	0	0	114.1	T793	D791-T793 PolarHBondContact O-N 3.38Å
792	Y	31.1	Very low	33.6	Very low	230 Å²	230	131.3 Å²	131.3	90%	0.902	68%	0.678	S	S	*	*			trans	-62.5	88.2	164.6	-112	-102.6	0	0	0	109.8
793	T	34.6	Very low	34.2	Very low	110 Å²	110	128.8 Å²	128.8	68%	0.675	66%	0.663	S	S	*	*			trans	-117.3	93.6	164	52.5	0	0	0	0	109.8	D791 T795	D791-T793 PolarHBondContact O-N 3.38Å; T793-T795 PolarHBondContact O-N 2.89Å
794	L	30.6	Very low	34.4	Very low	170 Å²	170	125.6 Å²	125.6	89%	0.89	64%	0.644	S	S	*	*			trans	-52.1	87.6	162.7	-86.2	156.2	0	0	0	109.5
795	T	31.6	Very low	34.5	Very low	101 Å²	101	123 Å²	123	62%	0.62	63%	0.631	S	S	*	*			trans	-89.5	118.6	161.5	47.6	0	0	0	0	107.3	T793 R797	T793-T795 PolarHBondContact O-N 2.89Å; T795-R797 PolarHBondContact O-N 3.4Å
796	L	33.4	Very low	34.7	Very low	173 Å²	173	120 Å²	120	91%	0.906	63%	0.629	S	S	*	*			trans	-57.6	61.3	168.2	-80.8	151	0	0	0	111.7	R798	L796-R798 PolarHBondContact O-N 3.15Å
797	R	30.5	Very low	35	Very low	225 Å²	225	118.2 Å²	118.2	85%	0.849	62%	0.623	S	S	*	*			trans	-79.9	96.4	159.7	-84.4	-168.1	171	127.6	-1.8	106.6	T795 S799	T795-R797 PolarHBondContact O-N 3.4Å; R797-S799 PolarHBondContact O-N 3.44Å
798	R	35.1	Very low	35.1	Very low	193 Å²	193	116.7 Å²	116.7	73%	0.728	62%	0.616	S	S	*	*			trans	-52	113.1	169.7	-66.6	177.7	178.9	171	-3.9	108.2	L796	L796-R798 PolarHBondContact O-N 3.15Å
799	S	36.2	Very low	35.2	Very low	28 Å²	28	118.5 Å²	118.5	20%	0.196	61%	0.612	C	S	.	*			trans	-57.5	133.4	167.2	167.2	0	0	0	0	107.8	R797 D801 D802	R797-S799 PolarHBondContact O-N 3.44Å; S799-D801 PolarHBondContact O-N 3.43Å; S799-D801 PolarHBondContact OG-N 3.39Å; S799-D802 PolarHBondContact O-N 3.47Å
800	P	40.4	Very low	35.2	Very low	71 Å²	71	117.4 Å²	117.4	46%	0.461	61%	0.611	S	S	.	*	G	3₁₀ helix	trans	-54.6	-22.3	173.8	-23.7	33.1	0	0	0	113.1	L805	P800-L805 HydrophobicContact CB-CD1 4.18Å; P800-L805 WeakPolarHBondContact O-CG 3.2Å
801	D	53.4	Low	34.7	Very low	8 Å²	8	119.6 Å²	119.6	4%	0.043	62%	0.615	C	S	.	*	G	3₁₀ helix	trans	-86.3	-12.7	-179.4	-59.9	-66.4	0	0	0	113.6	Y507 Y603 R617 S799 I803	Y507-D801 PolarHBondContact OH-OD1 2.81Å; Y603-D801 PolarHBondContact OH-OD2 3.08Å; Y603-D801 VanDerWaalsContact OH-OD2 3.06Å; R617-D801 PolarHBondContact NH1-O 3.04Å; S799-D801 PolarHBondContact O-N 3.43Å; S799-D801 PolarHBondContact OG-N 3.39Å; D801-I803 VanDerWaalsContact C-N 3.26Å
802	D	46.5	Very low	34.5	Very low	42 Å²	42	118.2 Å²	118.2	23%	0.225	61%	0.612	C	S	.	*	G	3₁₀ helix	trans	-81.8	-6.4	170.5	-75.9	-26.3	0	0	0	112.2	T619 S799	T619-D802 PolarHBondContact OG1-OD2 3.29Å; S799-D802 PolarHBondContact O-N 3.47Å
803	I	40.7	Very low	34.4	Very low	79 Å²	79	115.8 Å²	115.8	41%	0.405	61%	0.611	S	S	.	*	S	Bend	trans	-114	132.3	171.8	-55.2	174.1	0	0	0	106.8	D801 L805	D801-I803 VanDerWaalsContact C-N 3.26Å; I803-L805 PolarHBondContact O-N 2.97Å
804	P	36.3	Very low	34.2	Very low	47 Å²	47	117.8 Å²	117.8	31%	0.305	62%	0.616	S	S	.	*			trans	-61.2	100.1	170.8	-14.8	27.7	0	0	0	108.9	K472 M806	K472-P804 HydrophobicContact CB-CB 4.31Å; K472-P804 HydrophobicContact CB-CG 4.17Å; K472-P804 HydrophobicContact CD-CB 3.76Å; K472-P804 HydrophobicContact CD-CG 4.32Å; P804-M806 PolarHBondContact O-N 2.9Å
805	L	36.9	Very low	34.2	Very low	94 Å²	94	115.2 Å²	115.2	49%	0.492	61%	0.61	S	S	.	*	P	Polyproline II helix	trans	-59.7	124.8	-179.3	-82.4	161.9	0	0	0	109.5	P800 I803 T807	P800-L805 HydrophobicContact CB-CD1 4.18Å; P800-L805 WeakPolarHBondContact O-CG 3.2Å; I803-L805 PolarHBondContact O-N 2.97Å; L805-T807 PolarHBondContact O-N 3.21Å
806	M	31	Very low	34.1	Very low	161 Å²	161	118 Å²	118	79%	0.793	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-53.3	132.9	172.7	-71.5	-136.4	145.5	0	0	111.3	P804	P804-M806 PolarHBondContact O-N 2.9Å
807	T	32.5	Very low	34.3	Very low	103 Å²	103	115.5 Å²	115.5	63%	0.632	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-55.9	126.9	174.4	51.6	0	0	0	0	110.9	L805 N809	L805-T807 PolarHBondContact O-N 3.21Å; T807-N809 PolarHBondContact O-N 3.43Å
808	P	28.4	Very low	34.3	Very low	93 Å²	93	112.6 Å²	112.6	60%	0.604	62%	0.618	S	S	*	*			trans	-91.9	76	167.3	34.3	-27.8	0	0	0	108.9
809	N	30.3	Very low	34.3	Very low	139 Å²	139	110.1 Å²	110.1	74%	0.743	62%	0.624	S	S	*	*			trans	-147.4	69.5	171.2	-84.1	-28.5	0	0	0	111.4	T807	T807-N809 PolarHBondContact O-N 3.43Å
810	T	28.6	Very low	34.1	Very low	130 Å²	130	111.5 Å²	111.5	80%	0.798	64%	0.642	S	S	*	*			trans	-166.1	73.7	155.9	6.8	0	0	0	0	110.3
811	I	27.2	Very low	33.8	Very low	167 Å²	167	115.7 Å²	115.7	86%	0.856	66%	0.66	S	S	*	*			trans	-127.5	79.4	155.5	-55.3	178.7	0	0	0	106.7
812	T	29.6	Very low	32.8	Very low	118 Å²	118	122.8 Å²	122.8	72%	0.724	69%	0.693	S	S	*	*			trans	-101.1	113.7	158.6	39.8	0	0	0	0	107.5	I814	T812-I814 PolarHBondContact O-N 3.29Å
813	M	29	Very low	32.1	Very low	179 Å²	179	126.2 Å²	126.2	88%	0.882	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-60.8	120.4	168.4	-69.1	-153.1	-71.5	0	0	109.4
814	I	29.5	Very low	31.9	Very low	152 Å²	152	131 Å²	131	78%	0.779	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-89.8	121	168.1	-59.1	172.1	0	0	0	107.3	T812	T812-I814 PolarHBondContact O-N 3.29Å
815	P	31.3	Very low	31.8	Very low	117 Å²	117	137.4 Å²	137.4	76%	0.76	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-87.4	130.5	161.6	15.8	0.6	0	0	0	110.3
816	N	29.7	Very low	32.2	Very low	160 Å²	160	137.4 Å²	137.4	86%	0.856	77%	0.773	S	S	*	*			trans	-36.4	132.2	173.8	-68.3	-35.1	0	0	0	115.6
817	S	36.7	Very low	32.4	Very low	120 Å²	120	139.7 Å²	139.7	84%	0.839	77%	0.774	S	S	*	*			trans	-152.4	130.4	137.8	55.1	0	0	0	0	110.9
818	L	31.1	Very low	32.5	Very low	163 Å²	163	141.7 Å²	141.7	85%	0.853	78%	0.78	S	S	*	*			trans	-70.8	155	178.1	-73.5	94.8	0	0	0	111.8
819	V	35.8	Very low	32.6	Very low	141 Å²	141	143.1 Å²	143.1	86%	0.855	79%	0.788	S	S	*	*				151.9	116.5	116.7	169.5	0	0	0	0	111.1
820	G	31.5	Very low	32.7	Very low	57 Å²	57	146.9 Å²	146.9	59%	0.588	80%	0.798	S	S	*	*				107.1	111	118.4	0	0	0	0	0	120.9
821	L	33.6	Very low	32.8	Very low	160 Å²	160	145.3 Å²	145.3	84%	0.838	80%	0.798	S	S	*	*			trans	73.3	148.6	150.1	-71.3	104.1	0	0	0	119.4
822	Q	32.9	Very low	33.2	Very low	156 Å²	156	142.6 Å²	142.6	73%	0.729	80%	0.8	S	S	*	*			cis	178.8	121.7	-30.9	-119.7	-175.5	-20.4	0	0	105.8
823	T	32.2	Very low	33.2	Very low	114 Å²	114	140.2 Å²	140.2	70%	0.699	80%	0.799	S	S	*	*			trans	54	128.7	137.1	62.6	0	0	0	0	122.1
824	L	35.6	Very low	33.4	Very low	179 Å²	179	142 Å²	142	94%	0.937	80%	0.802	S	S	*	*				-169.8	141.1	111.1	-92.7	156.7	0	0	0	112.1
825	H	34.3	Very low	33.5	Very low	182 Å²	182	142 Å²	142	84%	0.843	80%	0.804	S	S	*	*			trans	-106.2	-165.8	-167.3	-105.5	-55.4	0	0	0	110.8
826	P	44.9	Very low	33.7	Very low	95 Å²	95	142.2 Å²	142.2	62%	0.617	81%	0.808	S	S	*	*				-125	-164.7	-104	29.9	-1.9	0	0	0	112
827	Y	35.1	Very low	34	Very low	209 Å²	209	141.3 Å²	141.3	82%	0.82	81%	0.809	S	S	*	*			trans	168.3	138.7	135.5	-98.9	-71.7	0	0	0	115.3
828	N	35	Very low	33.9	Very low	144 Å²	144	139 Å²	139	77%	0.77	80%	0.804	S	S	*	*			trans	102.7	121	142.3	-72.6	-21.5	0	0	0	123.4
829	T	30	Very low	34	Very low	123 Å²	123	139.3 Å²	139.3	76%	0.755	81%	0.805	S	S	*	*			trans	-80.4	153.8	175.2	13.5	0	0	0	0	113.7
830	F	33.7	Very low	33.9	Very low	219 Å²	219	137.7 Å²	137.7	96%	0.961	80%	0.798	S	S	*	*			trans	-153.6	138.5	141.3	-104.1	-78.9	0	0	0	110.9
831	A	29.4	Very low	34.1	Very low	97 Å²	97	144.1 Å²	144.1	80%	0.802	81%	0.812	S	S	*	*			trans	-112.2	148.4	-178.8	0	0	0	0	0	111.1
832	A	36.9	Very low	34.2	Very low	109 Å²	109	140.7 Å²	140.7	90%	0.901	80%	0.802	S	S	*	*			trans	-161.1	124.7	154	0	0	0	0	0	109.7
833	G	29.5	Very low	34.4	Very low	68 Å²	68	142 Å²	142	70%	0.701	81%	0.807	S	S	*	*			trans	-96.1	166.4	-179.5	0	0	0	0	0	114.1
834	F	33.9	Very low	34.5	Very low	217 Å²	217	141.4 Å²	141.4	95%	0.952	81%	0.808	S	S	*	*			trans	-140	129.1	156.1	-96	-84.6	0	0	0	109.3
835	N	30.1	Very low	34.4	Very low	153 Å²	153	139.2 Å²	139.2	82%	0.818	80%	0.802	S	S	*	*			trans	-105.3	136.7	177.9	-134.1	2	0	0	0	107.2
836	S	36.2	Very low	34.6	Very low	121 Å²	121	136.9 Å²	136.9	85%	0.846	80%	0.801	S	S	*	*			trans	-152	123.3	163.7	-67.7	0	0	0	0	110.3
837	T	35	Very low	33.9	Very low	141 Å²	141	143.4 Å²	143.4	87%	0.865	81%	0.813	S	S	*	*			trans	-89.4	151.2	-169.8	44.4	0	0	0	0	113.9
838	G	34.7	Very low	34.1	Very low	71 Å²	71	143.8 Å²	143.8	73%	0.732	84%	0.837	S	S	*	*			trans	138.3	124.1	160.5	0	0	0	0	0	110.4
839	L	33.2	Very low	34	Very low	169 Å²	169	143.8 Å²	143.8	89%	0.885	84%	0.84	S	S	*	*			cis	-156.2	158.6	18.1	-89.1	135.5	0	0	0	108.2
840	P	34.1	Very low	34.2	Very low	108 Å²	108	144.8 Å²	144.8	70%	0.701	85%	0.845	S	S	*	*			trans	-96.4	140.5	176.7	35.4	-27	0	0	0	111.9
841	H	36.3	Very low	34.3	Very low	191 Å²	191	140.7 Å²	140.7	88%	0.884	84%	0.838	S	S	*	*			trans	-130.7	114	153.4	-87.6	-52.7	0	0	0	110.9
842	S	35.2	Very low	34.5	Very low	89 Å²	89	143.3 Å²	143.3	62%	0.622	84%	0.84	S	S	*	*			trans	-76.6	172.2	163.7	49.6	0	0	0	0	111.5
843	H	36.7	Very low	34.4	Very low	182 Å²	182	145.4 Å²	145.4	84%	0.843	84%	0.836	S	S	*	*			trans	98.7	128.5	178.8	-55.4	-67.1	0	0	0	112.4
844	S	35.8	Very low	34.7	Very low	102 Å²	102	150.6 Å²	150.6	71%	0.713	85%	0.845	S	S	*	*			cis	-164.6	133.6	-3.6	178.4	0	0	0	0	105.9
845	T	32.9	Very low	34.8	Very low	133 Å²	133	145.9 Å²	145.9	82%	0.816	84%	0.838	S	S	*	*			trans	-73.4	125.2	169.6	48.9	0	0	0	0	110.1
846	T	37.3	Very low	35.2	Very low	133 Å²	133	145.3 Å²	145.3	82%	0.816	84%	0.839	S	S	*	*			trans	-154.7	123.6	141.6	-28.4	0	0	0	0	111.5
847	R	31.5	Very low	35.1	Very low	233 Å²	233	147.3 Å²	147.3	88%	0.879	84%	0.839	S	S	*	*			trans	-29.9	138.9	167.2	-71.4	167.7	163.8	161.6	-6.2	115.9
848	V	38.2	Very low	35.1	Very low	216 Å²	216	147.9 Å²	147.9	100%	1.309	84%	0.836	S	S	*	*				-136.7	0	86.6	176	0	0	0	0	108.4

Retrieved 848 of 848 residues in 1262.5 ms (Link to these results)

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