X5DNV3_HUMAN Loading...

Neuroligin 3 isoform A

AlphaFold DB (Q9NZ94), UniProt , Accession X5DNV3, Species HUMAN (Homo sapiens, Human), Gene NLGN3, Length 848 aa.

						>X5DNV3_HUMAN|X5DNV3|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 425.1 ms (Link to these results)

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