A0A087YKZ6_POEFO Loading...

Prolyl 4-hydroxylase subunit alpha-1

Catalyzes the post-translational formation of 4-hydroxyproline in -Xaa-Pro-Gly- sequences in collagens and other proteins.

AlphaFold DB , UniProt , Accession A0A087YKZ6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 548 aa.

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(Predicted Aligned Error values between residue pairs)

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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	40.3	Very low	35	Very low	245 Å²	245	176.4 Å²	176.4	100%	1.207	85%	0.849	S	S	*	*				0	92.7	0	-83.9	172.9	170.8	0	0	107.5
2	L	31.2	Very low	35	Very low	169 Å²	169	170.2 Å²	170.2	89%	0.885	84%	0.835	S	S	*	*			trans	-108.7	120.5	-176.9	-92.2	142.6	0	0	0	108
3	W	34.4	Very low	34.9	Very low	252 Å²	252	167.6 Å²	167.6	96%	0.955	83%	0.826	S	S	*	*			trans	-60.8	132.5	170	-87.5	18	0	0	0	110.7
4	T	34	Very low	34.8	Very low	136 Å²	136	165.1 Å²	165.1	83%	0.834	82%	0.817	S	S	*	*			trans	-122.3	119.8	162.9	30.9	0	0	0	0	108.7
5	R	32.7	Very low	34.7	Very low	230 Å²	230	163.1 Å²	163.1	87%	0.868	81%	0.809	S	S	*	*			trans	-65.7	126.9	170.1	-78.7	174.8	167.6	-178.5	-4.1	108.7
6	M	31.3	Very low	34.6	Very low	171 Å²	171	161 Å²	161	84%	0.842	80%	0.801	S	S	*	*			trans	-84	112.8	161.9	-82	168.4	59.6	0	0	108.3
7	E	33.1	Very low	34.4	Very low	177 Å²	177	155.8 Å²	155.8	83%	0.827	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-84.8	120.4	160.4	-64.8	-145.2	164.1	0	0	108.7
8	L	35.5	Very low	34.2	Very low	153 Å²	153	153.3 Å²	153.3	80%	0.801	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-82.2	130.5	166.5	-88.3	109.6	0	0	0	108.9
9	P	38.9	Very low	34	Very low	102 Å²	102	152.7 Å²	152.7	66%	0.662	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-76.3	131.9	179.4	25.2	-23.3	0	0	0	111.2	W11	P9-W11 PolarHBondContact O-N 3.36Å
10	C	37.9	Very low	33.9	Very low	100 Å²	100	153.5 Å²	153.5	68%	0.676	78%	0.78	S	S	*	*	S	Bend	trans	-67.7	54	174.8	-157.1	0	0	0	0	112.1
11	W	35.4	Very low	33.7	Very low	205 Å²	205	151.3 Å²	151.3	78%	0.777	78%	0.779	S	S	*	*			trans	-111.7	-2.1	-177.8	-87.7	52.7	0	0	0	113.5	P9	P9-W11 PolarHBondContact O-N 3.36Å
12	C	35.6	Very low	33.2	Very low	102 Å²	102	147.7 Å²	147.7	69%	0.689	76%	0.764	S	S	*	*	S	Bend	trans	-90.6	-14.4	175.6	-71.6	0	0	0	0	113.9
13	L	33.5	Very low	33.4	Very low	137 Å²	137	143.7 Å²	143.7	72%	0.717	75%	0.75	S	S	*	*	S	Bend	trans	-92	-10.6	-177.1	-78.9	160.1	0	0	0	114.4
14	L	32.9	Very low	33.6	Very low	133 Å²	133	134.4 Å²	134.4	70%	0.696	73%	0.727	S	S	*	*	S	Bend	trans	-96.3	-11	174.3	-85	158	0	0	0	113.7	S17	L14-S17 PolarHBondContact O-OG 3.05Å
15	L	34.5	Very low	34.4	Very low	134 Å²	134	134.6 Å²	134.6	70%	0.702	72%	0.718	S	S	*	*	S	Bend	trans	-90.4	-14.1	174.9	-89.5	155.9	0	0	0	113.3
16	L	31.9	Very low	35.6	Very low	130 Å²	130	126.5 Å²	126.5	68%	0.681	69%	0.692	S	S	*	*	S	Bend	trans	-93.3	-10.9	178.5	-93.4	142.9	0	0	0	113.8
17	S	31.6	Very low	36.9	Very low	73 Å²	73	119.1 Å²	119.1	51%	0.51	66%	0.656	S	S	.	*	S	Bend	trans	-94.1	-8.6	176	52.5	0	0	0	0	114.3	L14	L14-S17 PolarHBondContact O-OG 3.05Å
18	C	30.9	Very low	38.4	Very low	111 Å²	111	111.9 Å²	111.9	75%	0.75	62%	0.622	S	S	*	*	S	Bend	trans	-95	4.9	172.2	-73.8	0	0	0	0	113.9	Q20	C18-Q20 PolarHBondContact O-N 3.03Å
19	L	31.2	Very low	39.7	Very low	142 Å²	142	105.3 Å²	105.3	74%	0.743	59%	0.587	S	S	*	*			trans	-93.9	44.3	163.9	-74.8	162.5	0	0	0	110.1	S21	L19-S21 VanDerWaalsContact C-N 3.29Å; L19-S21 PolarHBondContact O-N 3.23Å; L19-S21 VanDerWaalsContact O-N 3.1Å
20	Q	30.2	Very low	40.8	Very low	168 Å²	168	100.5 Å²	100.5	79%	0.785	56%	0.555	S	S	*	*			trans	-67.3	106.5	147.9	-75.9	-171.7	-14.4	0	0	104.8	C18 L22	C18-Q20 PolarHBondContact O-N 3.03Å; Q20-L22 PolarHBondContact O-N 3.03Å
21	S	31.6	Very low	42.2	Very low	108 Å²	108	95.7 Å²	95.7	76%	0.755	52%	0.523	S	S	*	.			trans	-46.6	99.6	160.6	49.5	0	0	0	0	107.1	L19 S23	L19-S21 VanDerWaalsContact C-N 3.29Å; L19-S21 PolarHBondContact O-N 3.23Å; L19-S21 VanDerWaalsContact O-N 3.1Å; S21-S23 PolarHBondContact O-N 2.93Å
22	L	29.8	Very low	43.8	Very low	169 Å²	169	87.5 Å²	87.5	89%	0.885	49%	0.494	S	S	*	.			trans	-51.2	101	152.4	-86.2	144.1	0	0	0	103.5	Q20 A24	Q20-L22 PolarHBondContact O-N 3.03Å; L22-A24 PolarHBondContact O-N 3.49Å
23	S	33.4	Very low	45.2	Very low	85 Å²	85	83.2 Å²	83.2	59%	0.594	47%	0.467	S	S	*	.			trans	-62.1	98.3	170.2	72.5	0	0	0	0	103.7	S21 H25	S21-S23 PolarHBondContact O-N 2.93Å; S23-H25 VanDerWaalsContact C-N 3.3Å; S23-H25 PolarHBondContact O-N 3.16Å; S23-H25 PolarHBondContact O-ND1 3.46Å; S23-H25 PolarHBondContact OG-CE1 2.88Å; S23-H25 PolarHBondContact OG-ND1 2.92Å
24	A	39.4	Very low	47	Very low	56 Å²	56	78 Å²	78	46%	0.463	44%	0.439	S	S	.	.			trans	-59.3	105	170.8	0	0	0	0	0	104.8	L22 N26	L22-A24 PolarHBondContact O-N 3.49Å; A24-N26 PolarHBondContact O-N 3.02Å
25	H	50.7	Low	49.1	Very low	140 Å²	140	74 Å²	74	65%	0.648	42%	0.417	S	S	*	.			trans	-56.4	117.9	171.8	-73.6	-2.5	0	0	0	106.3	S23 D27	S23-H25 VanDerWaalsContact C-N 3.3Å; S23-H25 PolarHBondContact O-N 3.16Å; S23-H25 PolarHBondContact O-ND1 3.46Å; S23-H25 PolarHBondContact OG-CE1 2.88Å; S23-H25 PolarHBondContact OG-ND1 2.92Å; H25-D27 PolarHBondContact O-N 2.94Å
26	N	57.7	Low	51.1	Low	61 Å²	61	70.2 Å²	70.2	33%	0.326	40%	0.4	S	S	.	.			trans	-86.8	100.5	-177.2	-91.7	-37.6	0	0	0	107.2	A24 F28 Q34	A24-N26 PolarHBondContact O-N 3.02Å; N26-F28 HydrophobicContact CB-CE1 4.34Å; N26-F28 HydrophobicContact CB-CE2 4.09Å; N26-F28 HydrophobicContact CB-CZ 3.97Å; N26-F28 WeakPolarHBondContact O-CD2 3.35Å; N26-F28 VanDerWaalsContact O-CE2 3.25Å; N26-F28 WeakPolarHBondContact O-CE2 3.46Å; N26-F28 PolarHBondContact O-N 3.29Å; N26-Q34 PolarHBondContact OD1-NE2 3.07Å
27	D	59.2	Low	53.5	Low	16 Å²	16	68.9 Å²	68.9	9%	0.086	39%	0.393	C	S	.	.			trans	-66.8	97.5	174.6	-65.5	9.8	0	0	0	110.4	H25 F29 T30 D133 R376 K396	H25-D27 PolarHBondContact O-N 2.94Å; D27-F29 HydrophobicContact CB-CD1 4.36Å; D27-F29 HydrophobicContact CB-CE1 4Å; D27-T30 HydrophobicContact CB-CG2 4.31Å; D27-T30 PolarHBondContact O-OG1 3.36Å; D27-D133 VanDerWaalsContact C-OD1 3.29Å; D27-D133 WeakPolarHBondContact CA-OD1 3.34Å; D27-R376 WeakPolarHBondContact OD2-CD 3.3Å; D27-R376 IonicContact OD2-CZ 3.67Å; D27-R376 IonicContact OD2-NE 3.42Å; D27-R376 IonicContact OD2-NH1 3.82Å; D27-R376 PolarHBondContact OD2-NH1 3.3Å; D27-K396 WeakPolarHBondContact O-CE 3.4Å; D27-K396 PolarHBondContact O-NZ 3.25Å
28	F	64.3	Low	56.1	Low	25 Å²	25	67 Å²	67	11%	0.11	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-70.1	-38.1	-168	-71.7	-82.7	0	0	0	112.1	N26 T30 S31 Q34 M35 L38 Y127 P129 D133	N26-F28 HydrophobicContact CB-CE1 4.34Å; N26-F28 HydrophobicContact CB-CE2 4.09Å; N26-F28 HydrophobicContact CB-CZ 3.97Å; N26-F28 WeakPolarHBondContact O-CD2 3.35Å; N26-F28 VanDerWaalsContact O-CE2 3.25Å; N26-F28 WeakPolarHBondContact O-CE2 3.46Å; N26-F28 PolarHBondContact O-N 3.29Å; F28-T30 PolarHBondContact O-N 3.4Å; F28-S31 PolarHBondContact O-N 2.87Å; F28-S31 VanDerWaalsContact O-N 3.16Å; F28-Q34 HydrophobicContact CD1-CB 3.94Å; F28-Q34 HydrophobicContact CE1-CB 4.4Å; F28-M35 WeakPolarHBondContact O-CG 3.35Å; F28-L38 HydrophobicContact CB-CD1 4.04Å; F28-L38 HydrophobicContact CD1-CD1 3.65Å; F28-L38 HydrophobicContact CD1-CD2 4.25Å; F28-L38 HydrophobicContact CD1-CG 4Å; F28-L38 HydrophobicContact CE1-CD1 4.23Å; F28-L38 HydrophobicContact CE1-CD2 3.97Å; F28-L38 HydrophobicContact CE1-CG 4.17Å; F28-L38 HydrophobicContact CG-CD1 3.85Å; F28-L38 HydrophobicContact CZ-CD2 4.34Å; F28-Y127 WeakPolarHBondContact CZ-O 3.16Å; F28-P129 HydrophobicContact CD2-CB 4.29Å; F28-P129 HydrophobicContact CD2-CG 4.25Å; F28-P129 HydrophobicContact CG-CG 4.49Å; F28-D133 PolarHBondContact N-OD1 3.01Å
29	F	63.8	Low	58.7	Low	15 Å²	15	66.9 Å²	66.9	7%	0.066	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-61.4	-22.6	-176.8	72.3	-83.2	0	0	0	113.5	D27 D133 A137 I394 G435 V436	D27-F29 HydrophobicContact CB-CD1 4.36Å; D27-F29 HydrophobicContact CB-CE1 4Å; F29-D133 HydrophobicContact CD1-CB 4.19Å; F29-D133 WeakPolarHBondContact CD1-OD1 3.09Å; F29-A137 HydrophobicContact CB-CB 4.13Å; F29-I394 HydrophobicContact CE2-CG2 4.16Å; F29-G435 WeakPolarHBondContact O-CA 3.35Å; F29-V436 PolarHBondContact O-N 3.47Å
30	T	60.6	Low	61.4	Low	0 Å²	0	67 Å²	67	0%	0	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-84.8	-4.2	-177	62.3	0	0	0	0	114.3	D27 F28 R376 I394 K396 G435	D27-T30 HydrophobicContact CB-CG2 4.31Å; D27-T30 PolarHBondContact O-OG1 3.36Å; F28-T30 PolarHBondContact O-N 3.4Å; T30-R376 HydrophobicContact CG2-CG 4.34Å; T30-I394 HydrophobicContact CG2-CG2 3.82Å; T30-K396 WeakPolarHBondContact OG1-CE 3.49Å; T30-K396 WeakPolarHBondContact OG1-CG 3.17Å; T30-G435 PolarHBondContact O-N 3.14Å
31	S	67	Low	64.2	Low	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.331	C	S	.	.			trans	-144.9	118	178.9	173.7	0	0	0	0	112.7	F28 G33 Q34 M35 N433	F28-S31 PolarHBondContact O-N 2.87Å; F28-S31 VanDerWaalsContact O-N 3.16Å; S31-G33 PolarHBondContact O-N 3.22Å; S31-G33 PolarHBondContact OG-N 3.5Å; S31-Q34 PolarHBondContact O-N 3Å; S31-M35 PolarHBondContact O-N 2.92Å; S31-N433 VanDerWaalsContact CA-OD1 3.3Å; S31-N433 WeakPolarHBondContact CA-OD1 3.37Å; S31-N433 PolarHBondContact OG-OD1 2.85Å
32	I	69.4	Low	67	Low	33 Å²	33	60.9 Å²	60.9	17%	0.169	32%	0.321	C	S	.	.	H	α-helix	trans	-65.5	-28.3	174.4	-61.8	-171.7	0	0	0	111.3	Q34 M35 T36 N433 G522 N523	I32-Q34 VanDerWaalsContact C-N 3.29Å; I32-Q34 PolarHBondContact O-N 3.25Å; I32-M35 HydrophobicContact CB-CE 4.13Å; I32-M35 HydrophobicContact CG1-CE 3.58Å; I32-M35 PolarHBondContact O-N 3.17Å; I32-T36 PolarHBondContact O-N 3.37Å; I32-T36 PolarHBondContact O-OG1 3.05Å; I32-N433 PolarHBondContact N-OD1 3.03Å; I32-N433 VanDerWaalsContact N-OD1 3.17Å; I32-G522 WeakPolarHBondContact CD1-O 3.07Å; I32-N523 HydrophobicContact CB-CB 4.35Å; I32-N523 HydrophobicContact CD1-CB 3.77Å; I32-N523 HydrophobicContact CG2-CB 4.22Å
33	G	65.9	Low	70	Confident	11 Å²	11	59.2 Å²	59.2	11%	0.113	31%	0.307	C	S	.	.	H	α-helix	trans	-56.2	-43.9	176.4	0	0	0	0	0	112.3	S31	S31-G33 PolarHBondContact O-N 3.22Å; S31-G33 PolarHBondContact OG-N 3.5Å
34	Q	70.4	Confident	72.7	Confident	27 Å²	27	59.8 Å²	59.8	13%	0.126	30%	0.303	C	S	.	.	H	α-helix	trans	-80	-33	179.5	-69.5	177.8	-39.7	0	0	112.7	N26 F28 S31 I32 T36 D37 L38	N26-Q34 PolarHBondContact OD1-NE2 3.07Å; F28-Q34 HydrophobicContact CD1-CB 3.94Å; F28-Q34 HydrophobicContact CE1-CB 4.4Å; S31-Q34 PolarHBondContact O-N 3Å; I32-Q34 VanDerWaalsContact C-N 3.29Å; I32-Q34 PolarHBondContact O-N 3.25Å; Q34-T36 PolarHBondContact O-N 2.92Å; Q34-D37 PolarHBondContact O-N 3.19Å; Q34-D37 VanDerWaalsContact O-N 3.16Å; Q34-L38 PolarHBondContact O-N 3.17Å
35	M	76.7	Confident	75.2	Confident	50 Å²	50	57.9 Å²	57.9	25%	0.246	29%	0.286	C	S	.	.	H	α-helix	trans	-63.8	-27.7	172.9	-68.8	-172.5	-68	0	0	112.7	F28 S31 I32 D37 L38 L39 V436	F28-M35 WeakPolarHBondContact O-CG 3.35Å; S31-M35 PolarHBondContact O-N 2.92Å; I32-M35 HydrophobicContact CB-CE 4.13Å; I32-M35 HydrophobicContact CG1-CE 3.58Å; I32-M35 PolarHBondContact O-N 3.17Å; M35-D37 VanDerWaalsContact C-N 3.28Å; M35-D37 PolarHBondContact O-N 2.89Å; M35-L38 WeakPolarHBondContact O-CB 3.03Å; M35-L38 PolarHBondContact O-N 3.37Å; M35-L39 PolarHBondContact O-N 3.36Å; M35-V436 HydrophobicContact CE-CG2 4.08Å
36	T	78.3	Confident	77.3	Confident	55 Å²	55	54.3 Å²	54.3	34%	0.337	27%	0.273	S	S	.	.	H	α-helix	trans	-63.1	-37.7	175.2	-54.7	0	0	0	0	111.3	I32 Q34 L39 Y40	I32-T36 PolarHBondContact O-N 3.37Å; I32-T36 PolarHBondContact O-OG1 3.05Å; Q34-T36 PolarHBondContact O-N 2.92Å; T36-L39 PolarHBondContact O-N 3.41Å; T36-Y40 HydrophobicContact CG2-CE2 3.93Å; T36-Y40 WeakPolarHBondContact O-CD2 3.4Å
37	D	80.7	Confident	79.1	Confident	101 Å²	101	54.7 Å²	54.7	54%	0.54	28%	0.278	S	S	.	.	H	α-helix	trans	-68.1	-37.6	178.5	-59.7	-27.7	0	0	0	111	Q34 M35 L39 Y40 T41	Q34-D37 PolarHBondContact O-N 3.19Å; Q34-D37 VanDerWaalsContact O-N 3.16Å; M35-D37 VanDerWaalsContact C-N 3.28Å; M35-D37 PolarHBondContact O-N 2.89Å; D37-L39 VanDerWaalsContact C-N 3.3Å; D37-L39 PolarHBondContact O-N 3.29Å; D37-Y40 PolarHBondContact O-N 2.91Å; D37-T41 PolarHBondContact O-N 3.25Å; D37-T41 VanDerWaalsContact O-N 3.07Å; D37-T41 PolarHBondContact O-OG1 2.86Å
38	L	86.3	Confident	80.8	Confident	33 Å²	33	54.9 Å²	54.9	17%	0.173	28%	0.281	C	S	.	.	H	α-helix	trans	-60.3	-36.5	176.1	-65	177.9	0	0	0	113.1	F28 Q34 M35 Y40 T41 E42 Y127 P129	F28-L38 HydrophobicContact CB-CD1 4.04Å; F28-L38 HydrophobicContact CD1-CD1 3.65Å; F28-L38 HydrophobicContact CD1-CD2 4.25Å; F28-L38 HydrophobicContact CD1-CG 4Å; F28-L38 HydrophobicContact CE1-CD1 4.23Å; F28-L38 HydrophobicContact CE1-CD2 3.97Å; F28-L38 HydrophobicContact CE1-CG 4.17Å; F28-L38 HydrophobicContact CG-CD1 3.85Å; F28-L38 HydrophobicContact CZ-CD2 4.34Å; Q34-L38 PolarHBondContact O-N 3.17Å; M35-L38 WeakPolarHBondContact O-CB 3.03Å; M35-L38 PolarHBondContact O-N 3.37Å; L38-Y40 VanDerWaalsContact C-N 3.32Å; L38-Y40 PolarHBondContact O-N 3.06Å; L38-T41 WeakPolarHBondContact O-CB 3.24Å; L38-T41 PolarHBondContact O-N 3.47Å; L38-E42 WeakPolarHBondContact O-CB 3.32Å; L38-E42 PolarHBondContact O-N 2.94Å; L38-Y127 WeakPolarHBondContact CD2-O 3.18Å; L38-P129 HydrophobicContact CD1-CG 3.64Å
39	L	86.1	Confident	82.3	Confident	110 Å²	110	57 Å²	57	58%	0.576	29%	0.292	S	S	*	.	H	α-helix	trans	-64.2	-37.2	177.3	-70.4	173.2	0	0	0	112.2	M35 T36 D37 K43	M35-L39 PolarHBondContact O-N 3.36Å; T36-L39 PolarHBondContact O-N 3.41Å; D37-L39 VanDerWaalsContact C-N 3.3Å; D37-L39 PolarHBondContact O-N 3.29Å; L39-K43 WeakPolarHBondContact O-CB 3.44Å; L39-K43 PolarHBondContact O-N 3.02Å; L39-K43 VanDerWaalsContact O-N 3.1Å
40	Y	87.2	Confident	83.8	Confident	144 Å²	144	61.8 Å²	61.8	57%	0.565	31%	0.314	S	S	*	.	H	α-helix	trans	-69.9	-41.9	174.8	-68	-66.5	0	0	0	111	T36 D37 L38 E42 K43 D44	T36-Y40 HydrophobicContact CG2-CE2 3.93Å; T36-Y40 WeakPolarHBondContact O-CD2 3.4Å; D37-Y40 PolarHBondContact O-N 2.91Å; L38-Y40 VanDerWaalsContact C-N 3.32Å; L38-Y40 PolarHBondContact O-N 3.06Å; Y40-E42 PolarHBondContact O-N 3.11Å; Y40-K43 WeakPolarHBondContact O-CB 3.43Å; Y40-K43 PolarHBondContact O-N 3.2Å; Y40-D44 PolarHBondContact O-N 3.47Å
41	T	89.1	Confident	85.4	Confident	27 Å²	27	65.8 Å²	65.8	17%	0.166	34%	0.335	C	S	.	.	H	α-helix	trans	-58.6	-45.1	174.3	-57.3	0	0	0	0	112	D37 L38 K43 D44 L45 Q124 F128	D37-T41 PolarHBondContact O-N 3.25Å; D37-T41 VanDerWaalsContact O-N 3.07Å; D37-T41 PolarHBondContact O-OG1 2.86Å; L38-T41 WeakPolarHBondContact O-CB 3.24Å; L38-T41 PolarHBondContact O-N 3.47Å; T41-K43 PolarHBondContact O-N 3.2Å; T41-D44 PolarHBondContact O-N 3.18Å; T41-L45 HydrophobicContact CG2-CD1 4.28Å; T41-L45 WeakPolarHBondContact O-CG 3.26Å; T41-L45 PolarHBondContact O-N 2.94Å; T41-Q124 HydrophobicContact CG2-CB 3.87Å; T41-Q124 HydrophobicContact CG2-CG 3.95Å; T41-F128 HydrophobicContact CG2-CE1 4.2Å
42	E	91.6	Very high	86.8	Confident	120 Å²	120	68.9 Å²	68.9	56%	0.561	35%	0.347	S	S	*	.	H	α-helix	trans	-61	-44.9	176.5	-176.3	-178.7	-160	0	0	111.4	L38 Y40 D44 L45 V46	L38-E42 WeakPolarHBondContact O-CB 3.32Å; L38-E42 PolarHBondContact O-N 2.94Å; Y40-E42 PolarHBondContact O-N 3.11Å; E42-D44 VanDerWaalsContact C-N 3.29Å; E42-D44 PolarHBondContact O-N 3.4Å; E42-L45 PolarHBondContact O-N 3.11Å; E42-V46 WeakPolarHBondContact O-CG2 3.34Å; E42-V46 PolarHBondContact O-N 2.89Å
43	K	91.5	Very high	88.1	Confident	135 Å²	135	70.9 Å²	70.9	59%	0.587	36%	0.357	S	S	*	.	H	α-helix	trans	-58.7	-40.9	176.6	-178.1	-176.4	175.7	-173.8	0	112.3	L39 Y40 T41 V46 T47	L39-K43 WeakPolarHBondContact O-CB 3.44Å; L39-K43 PolarHBondContact O-N 3.02Å; L39-K43 VanDerWaalsContact O-N 3.1Å; Y40-K43 WeakPolarHBondContact O-CB 3.43Å; Y40-K43 PolarHBondContact O-N 3.2Å; T41-K43 PolarHBondContact O-N 3.2Å; K43-V46 PolarHBondContact O-N 3.47Å; K43-T47 PolarHBondContact O-N 2.72Å; K43-T47 VanDerWaalsContact O-N 3.13Å; K43-T47 PolarHBondContact O-OG1 3.32Å
44	D	90.5	Very high	89.5	Confident	96 Å²	96	77.2 Å²	77.2	51%	0.513	38%	0.377	S	S	.	.	H	α-helix	trans	-68.5	-39.4	177.9	-70.4	-12.5	0	0	0	111.2	Y40 T41 E42 T47 S48	Y40-D44 PolarHBondContact O-N 3.47Å; T41-D44 PolarHBondContact O-N 3.18Å; E42-D44 VanDerWaalsContact C-N 3.29Å; E42-D44 PolarHBondContact O-N 3.4Å; D44-T47 WeakPolarHBondContact O-CB 3.43Å; D44-T47 PolarHBondContact O-N 2.7Å; D44-S48 PolarHBondContact O-N 3.46Å
45	L	93.3	Very high	90.7	Very high	17 Å²	17	77.6 Å²	77.6	9%	0.089	39%	0.386	C	S	.	.	H	α-helix	trans	-65.1	-39	174.1	-72.4	172.7	0	0	0	112.9	T41 E42 T47 S48 L49 L121 Q124 F128	T41-L45 HydrophobicContact CG2-CD1 4.28Å; T41-L45 WeakPolarHBondContact O-CG 3.26Å; T41-L45 PolarHBondContact O-N 2.94Å; E42-L45 PolarHBondContact O-N 3.11Å; L45-T47 PolarHBondContact O-N 2.79Å; L45-S48 WeakPolarHBondContact O-CB 3.46Å; L45-S48 PolarHBondContact O-N 2.94Å; L45-L49 WeakPolarHBondContact O-CB 3.28Å; L45-L49 PolarHBondContact O-N 2.94Å; L45-L121 HydrophobicContact CD1-CD1 4.13Å; L45-L121 HydrophobicContact CD2-CB 4.37Å; L45-L121 HydrophobicContact CD2-CD1 4.25Å; L45-Q124 HydrophobicContact CD1-CB 4.12Å; L45-Q124 HydrophobicContact CD1-CG 4.48Å; L45-Q124 HydrophobicContact CD2-CB 4.2Å; L45-Q124 HydrophobicContact CD2-CG 3.95Å; L45-Q124 HydrophobicContact CG-CB 4.45Å; L45-Q124 HydrophobicContact CG-CG 4.29Å; L45-F128 HydrophobicContact CD1-CE1 3.79Å; L45-F128 HydrophobicContact CD1-CZ 3.4Å; L45-F128 VanDerWaalsContact CD1-CZ 3.4Å
46	V	94.4	Very high	91.6	Very high	64 Å²	64	77.8 Å²	77.8	39%	0.388	39%	0.386	S	S	.	.	H	α-helix	trans	-61.9	-36.5	173.3	169.6	0	0	0	0	111	E42 K43 L49 K50	E42-V46 WeakPolarHBondContact O-CG2 3.34Å; E42-V46 PolarHBondContact O-N 2.89Å; K43-V46 PolarHBondContact O-N 3.47Å; V46-L49 PolarHBondContact O-N 2.94Å; V46-K50 WeakPolarHBondContact O-CG 3.45Å; V46-K50 PolarHBondContact O-N 3.39Å; V46-K50 VanDerWaalsContact O-N 3.07Å
47	T	94.1	Very high	92.5	Very high	70 Å²	70	80.7 Å²	80.7	43%	0.429	40%	0.396	S	S	.	.	H	α-helix	trans	-65.7	-46	175.1	-55.4	0	0	0	0	110.6	K43 D44 L45 L49 K50 D51	K43-T47 PolarHBondContact O-N 2.72Å; K43-T47 VanDerWaalsContact O-N 3.13Å; K43-T47 PolarHBondContact O-OG1 3.32Å; D44-T47 WeakPolarHBondContact O-CB 3.43Å; D44-T47 PolarHBondContact O-N 2.7Å; L45-T47 PolarHBondContact O-N 2.79Å; T47-L49 VanDerWaalsContact C-N 3.33Å; T47-L49 PolarHBondContact O-N 3.32Å; T47-K50 WeakPolarHBondContact O-CB 3.37Å; T47-K50 PolarHBondContact O-N 3.11Å; T47-K50 VanDerWaalsContact O-N 3.15Å; T47-D51 PolarHBondContact O-N 3.4Å; T47-D51 VanDerWaalsContact O-N 3.12Å
48	S	94.9	Very high	93.2	Very high	20 Å²	20	80.5 Å²	80.5	14%	0.14	39%	0.394	C	S	.	.	H	α-helix	trans	-61.1	-38.4	175.4	-171.6	0	0	0	0	113	D44 L45 D51 Y52 N120	D44-S48 PolarHBondContact O-N 3.46Å; L45-S48 WeakPolarHBondContact O-CB 3.46Å; L45-S48 PolarHBondContact O-N 2.94Å; S48-D51 PolarHBondContact O-N 2.69Å; S48-Y52 PolarHBondContact O-N 3.4Å; S48-N120 WeakPolarHBondContact CB-ND2 3.4Å; S48-N120 PolarHBondContact OG-ND2 3.27Å
49	L	95.9	Very high	93.6	Very high	68 Å²	68	80.5 Å²	80.5	36%	0.356	39%	0.393	S	S	.	.	H	α-helix	trans	-63.4	-40.3	174.5	-179.7	63.9	0	0	0	111.7	L45 V46 T47 D51 Y52 I53 F117	L45-L49 WeakPolarHBondContact O-CB 3.28Å; L45-L49 PolarHBondContact O-N 2.94Å; V46-L49 PolarHBondContact O-N 2.94Å; T47-L49 VanDerWaalsContact C-N 3.33Å; T47-L49 PolarHBondContact O-N 3.32Å; L49-D51 VanDerWaalsContact C-N 3.32Å; L49-D51 PolarHBondContact O-N 2.97Å; L49-Y52 HydrophobicContact CD1-CD1 4.06Å; L49-Y52 WeakPolarHBondContact O-CB 3.39Å; L49-Y52 PolarHBondContact O-N 3.15Å; L49-I53 HydrophobicContact CG-CD1 4.16Å; L49-I53 VanDerWaalsContact O-CG1 3.31Å; L49-I53 WeakPolarHBondContact O-CG1 3.07Å; L49-I53 PolarHBondContact O-N 3.02Å; L49-F117 HydrophobicContact CB-CD2 4.19Å; L49-F117 HydrophobicContact CB-CE2 3.79Å; L49-F117 HydrophobicContact CB-CZ 4.42Å; L49-F117 HydrophobicContact CD1-CE1 4.24Å; L49-F117 HydrophobicContact CD1-CE2 4.06Å; L49-F117 HydrophobicContact CD1-CZ 3.91Å; L49-F117 HydrophobicContact CG-CE2 4.5Å
50	K	95.4	Very high	94.1	Very high	117 Å²	117	79.5 Å²	79.5	51%	0.509	39%	0.388	S	S	.	.	H	α-helix	trans	-64.4	-37.2	176	-74.4	172.8	179.7	176.6	0	112.2	V46 T47 I53 R54	V46-K50 WeakPolarHBondContact O-CG 3.45Å; V46-K50 PolarHBondContact O-N 3.39Å; V46-K50 VanDerWaalsContact O-N 3.07Å; T47-K50 WeakPolarHBondContact O-CB 3.37Å; T47-K50 PolarHBondContact O-N 3.11Å; T47-K50 VanDerWaalsContact O-N 3.15Å; K50-I53 PolarHBondContact O-N 3.04Å; K50-R54 WeakPolarHBondContact O-CG 3.48Å; K50-R54 PolarHBondContact O-N 2.87Å
51	D	94.9	Very high	94.6	Very high	83 Å²	83	76.9 Å²	76.9	44%	0.444	38%	0.381	S	S	.	.	H	α-helix	trans	-69.2	-37.9	176.7	-68	-28	0	0	0	111.7	T47 S48 L49 R54 A55	T47-D51 PolarHBondContact O-N 3.4Å; T47-D51 VanDerWaalsContact O-N 3.12Å; S48-D51 PolarHBondContact O-N 2.69Å; L49-D51 VanDerWaalsContact C-N 3.32Å; L49-D51 PolarHBondContact O-N 2.97Å; D51-R54 PolarHBondContact O-N 3Å; D51-R54 IonicContact OD1-NH1 3.7Å; D51-R54 PolarHBondContact OD1-NH1 3.27Å; D51-A55 PolarHBondContact O-N 3.19Å
52	Y	96.4	Very high	94.8	Very high	66 Å²	66	82.3 Å²	82.3	26%	0.259	40%	0.398	S	S	.	.	H	α-helix	trans	-57.9	-50.3	168.7	163	-108.1	0	0	0	112	S48 L49 R54 A55 E56 T113 T114 F117	S48-Y52 PolarHBondContact O-N 3.4Å; L49-Y52 HydrophobicContact CD1-CD1 4.06Å; L49-Y52 WeakPolarHBondContact O-CB 3.39Å; L49-Y52 PolarHBondContact O-N 3.15Å; Y52-R54 VanDerWaalsContact C-N 3.3Å; Y52-R54 PolarHBondContact O-N 3.49Å; Y52-A55 WeakPolarHBondContact O-CB 3.48Å; Y52-A55 PolarHBondContact O-N 3.49Å; Y52-E56 HydrophobicContact CD2-CG 4.08Å; Y52-E56 HydrophobicContact CE1-CG 4.24Å; Y52-E56 HydrophobicContact CE2-CG 3.38Å; Y52-E56 WeakPolarHBondContact CE2-OE1 3.44Å; Y52-E56 VanDerWaalsContact CZ-CG 3.47Å; Y52-E56 PolarHBondContact O-N 3.31Å; Y52-E56 PolarHBondContact OH-OE1 3.37Å; Y52-T113 WeakPolarHBondContact CD2-O 3.33Å; Y52-T114 HydrophobicContact CD2-CG2 4.32Å; Y52-T114 HydrophobicContact CE2-CG2 3.55Å; Y52-F117 HydrophobicContact CG-CB 4.45Å
53	I	96.3	Very high	95	Very high	74 Å²	74	78.4 Å²	78.4	38%	0.379	38%	0.383	S	S	.	.	H	α-helix	trans	-56.5	-45.9	179	-70.3	165.2	0	0	0	110.7	L49 K50 A55 E56 E57	L49-I53 HydrophobicContact CG-CD1 4.16Å; L49-I53 VanDerWaalsContact O-CG1 3.31Å; L49-I53 WeakPolarHBondContact O-CG1 3.07Å; L49-I53 PolarHBondContact O-N 3.02Å; K50-I53 PolarHBondContact O-N 3.04Å; I53-A55 VanDerWaalsContact C-N 3.31Å; I53-A55 PolarHBondContact O-N 3.46Å; I53-E56 PolarHBondContact O-N 3.35Å; I53-E57 HydrophobicContact CG2-CG 4.31Å; I53-E57 WeakPolarHBondContact O-CG 3.1Å; I53-E57 PolarHBondContact O-N 3.46Å
54	R	96.3	Very high	95.2	Very high	144 Å²	144	77.7 Å²	77.7	54%	0.543	38%	0.38	S	S	.	.	H	α-helix	trans	-62	-37.9	177.1	-72	171.7	-176.7	160.3	-4.8	112.6	K50 D51 Y52 N58	K50-R54 WeakPolarHBondContact O-CG 3.48Å; K50-R54 PolarHBondContact O-N 2.87Å; D51-R54 PolarHBondContact O-N 3Å; D51-R54 IonicContact OD1-NH1 3.7Å; D51-R54 PolarHBondContact OD1-NH1 3.27Å; Y52-R54 VanDerWaalsContact C-N 3.3Å; Y52-R54 PolarHBondContact O-N 3.49Å; R54-N58 WeakPolarHBondContact O-CB 3.41Å; R54-N58 VanDerWaalsContact O-CG 3.27Å; R54-N58 PolarHBondContact O-N 2.97Å; R54-N58 PolarHBondContact O-ND2 2.96Å
55	A	94.8	Very high	95.4	Very high	36 Å²	36	80.1 Å²	80.1	30%	0.298	38%	0.381	S	S	.	.	H	α-helix	trans	-65.4	-43	177.4	0	0	0	0	0	111.3	D51 Y52 I53 N58 K59 T113	D51-A55 PolarHBondContact O-N 3.19Å; Y52-A55 WeakPolarHBondContact O-CB 3.48Å; Y52-A55 PolarHBondContact O-N 3.49Å; I53-A55 VanDerWaalsContact C-N 3.31Å; I53-A55 PolarHBondContact O-N 3.46Å; A55-N58 PolarHBondContact O-N 3.09Å; A55-K59 WeakPolarHBondContact O-CB 3.49Å; A55-K59 PolarHBondContact O-N 2.84Å; A55-T113 HydrophobicContact CB-CG2 3.9Å
56	E	95.7	Very high	95.4	Very high	53 Å²	53	82.3 Å²	82.3	25%	0.248	39%	0.389	C	S	.	.	H	α-helix	trans	-64.3	-43.8	173.9	-75.1	-67.9	175.6	0	0	112.6	Y52 I53 N58 K59 L60 T113	Y52-E56 HydrophobicContact CD2-CG 4.08Å; Y52-E56 HydrophobicContact CE1-CG 4.24Å; Y52-E56 HydrophobicContact CE2-CG 3.38Å; Y52-E56 WeakPolarHBondContact CE2-OE1 3.44Å; Y52-E56 VanDerWaalsContact CZ-CG 3.47Å; Y52-E56 PolarHBondContact O-N 3.31Å; Y52-E56 PolarHBondContact OH-OE1 3.37Å; I53-E56 PolarHBondContact O-N 3.35Å; E56-N58 VanDerWaalsContact C-N 3.34Å; E56-N58 PolarHBondContact O-N 3.18Å; E56-K59 PolarHBondContact O-N 3.42Å; E56-L60 VanDerWaalsContact O-CB 3.26Å; E56-L60 WeakPolarHBondContact O-CB 3.28Å; E56-L60 PolarHBondContact O-N 3.1Å; E56-T113 PolarHBondContact OE1-OG1 3.39Å
57	E	96.4	Very high	95.4	Very high	117 Å²	117	81.7 Å²	81.7	55%	0.547	39%	0.39	S	S	.	.	H	α-helix	trans	-59.7	-44.7	176.9	-75.2	177.9	151.4	0	0	111.3	I53 L60 E61	I53-E57 HydrophobicContact CG2-CG 4.31Å; I53-E57 WeakPolarHBondContact O-CG 3.1Å; I53-E57 PolarHBondContact O-N 3.46Å; E57-L60 PolarHBondContact O-N 2.88Å; E57-E61 WeakPolarHBondContact O-CB 3.34Å; E57-E61 PolarHBondContact O-N 2.9Å
58	N	95.7	Very high	95.3	Very high	96 Å²	96	83.5 Å²	83.5	51%	0.513	40%	0.397	S	S	.	.	H	α-helix	trans	-64.1	-40.9	176.1	-75.5	-40.9	0	0	0	112.3	R54 A55 E56 R62	R54-N58 WeakPolarHBondContact O-CB 3.41Å; R54-N58 VanDerWaalsContact O-CG 3.27Å; R54-N58 PolarHBondContact O-N 2.97Å; R54-N58 PolarHBondContact O-ND2 2.96Å; A55-N58 PolarHBondContact O-N 3.09Å; E56-N58 VanDerWaalsContact C-N 3.34Å; E56-N58 PolarHBondContact O-N 3.18Å; N58-R62 VanDerWaalsContact O-CG 3.28Å; N58-R62 WeakPolarHBondContact O-CG 3.37Å; N58-R62 PolarHBondContact O-N 2.92Å; N58-R62 VanDerWaalsContact O-N 3.1Å
59	K	95.6	Very high	95.1	Very high	33 Å²	33	87.1 Å²	87.1	14%	0.143	41%	0.41	C	S	.	.	H	α-helix	trans	-62.4	-49.4	174.7	175.5	-177.3	167.7	-178.9	0	110.3	A55 E56 E61 R62 V63 L108 V109 S111 T113	A55-K59 WeakPolarHBondContact O-CB 3.49Å; A55-K59 PolarHBondContact O-N 2.84Å; E56-K59 PolarHBondContact O-N 3.42Å; K59-E61 VanDerWaalsContact C-N 3.33Å; K59-E61 PolarHBondContact O-N 2.89Å; K59-R62 WeakPolarHBondContact O-CB 3.5Å; K59-R62 PolarHBondContact O-N 2.96Å; K59-V63 WeakPolarHBondContact O-CG2 3.44Å; K59-V63 PolarHBondContact O-N 3Å; K59-L108 WeakPolarHBondContact CE-O 3.46Å; K59-L108 HydrophobicContact CG-CD1 4.39Å; K59-V109 VanDerWaalsContact CE-O 3.3Å; K59-V109 WeakPolarHBondContact CE-O 3.41Å; K59-V109 PolarHBondContact NZ-O 2.83Å; K59-S111 PolarHBondContact NZ-O 2.74Å; K59-T113 HydrophobicContact CD-CG2 4.32Å
60	L	96.4	Very high	94.7	Very high	90 Å²	90	84.7 Å²	84.7	47%	0.471	40%	0.397	S	S	.	.	H	α-helix	trans	-61.3	-40.8	179	-178.1	62.1	0	0	0	111.5	E56 E57 R62 V63 K64	E56-L60 VanDerWaalsContact O-CB 3.26Å; E56-L60 WeakPolarHBondContact O-CB 3.28Å; E56-L60 PolarHBondContact O-N 3.1Å; E57-L60 PolarHBondContact O-N 2.88Å; L60-R62 VanDerWaalsContact C-N 3.35Å; L60-R62 PolarHBondContact O-N 3.44Å; L60-V63 PolarHBondContact O-N 3.07Å; L60-K64 HydrophobicContact CG-CD 4.37Å; L60-K64 WeakPolarHBondContact O-CB 3.23Å; L60-K64 WeakPolarHBondContact O-CG 3.32Å; L60-K64 PolarHBondContact O-N 3.29Å
61	E	96.6	Very high	94.4	Very high	89 Å²	89	84.5 Å²	84.5	42%	0.416	40%	0.402	S	S	.	.	H	α-helix	trans	-63.5	-41.2	176.7	-163.2	-172.8	176.2	0	0	111.5	E57 K59 K64 R65	E57-E61 WeakPolarHBondContact O-CB 3.34Å; E57-E61 PolarHBondContact O-N 2.9Å; K59-E61 VanDerWaalsContact C-N 3.33Å; K59-E61 PolarHBondContact O-N 2.89Å; E61-K64 PolarHBondContact O-N 2.67Å; E61-R65 WeakPolarHBondContact O-CG 3.37Å; E61-R65 PolarHBondContact O-N 3.29Å; E61-R65 IonicContact OE1-CZ 3.4Å; E61-R65 IonicContact OE1-NE 2.69Å; E61-R65 IonicContact OE1-NH2 3.59Å; E61-R65 PolarHBondContact OE1-NH2 2.94Å; E61-R65 IonicContact OE2-NH2 3.32Å; E61-R65 PolarHBondContact OE2-NH2 2.91Å
62	R	95.3	Very high	94	Very high	141 Å²	141	83.7 Å²	83.7	53%	0.532	40%	0.403	S	S	.	.	H	α-helix	trans	-63	-41.7	174.2	-70.3	168.8	64.6	-166.9	-0.3	111.8	N58 K59 L60 R65 W66 L108	N58-R62 VanDerWaalsContact O-CG 3.28Å; N58-R62 WeakPolarHBondContact O-CG 3.37Å; N58-R62 PolarHBondContact O-N 2.92Å; N58-R62 VanDerWaalsContact O-N 3.1Å; K59-R62 WeakPolarHBondContact O-CB 3.5Å; K59-R62 PolarHBondContact O-N 2.96Å; L60-R62 VanDerWaalsContact C-N 3.35Å; L60-R62 PolarHBondContact O-N 3.44Å; R62-R65 PolarHBondContact O-N 3.41Å; R62-W66 PolarHBondContact O-N 3.49Å; R62-W66 VanDerWaalsContact O-N 3.09Å; R62-L108 HydrophobicContact CB-CD2 3.93Å
63	V	95.3	Very high	93.4	Very high	38 Å²	38	83.1 Å²	83.1	23%	0.23	40%	0.404	C	S	.	.	H	α-helix	trans	-64.8	-43.1	176.4	173	0	0	0	0	111	K59 L60 W66 A67 L108 V109	K59-V63 WeakPolarHBondContact O-CG2 3.44Å; K59-V63 PolarHBondContact O-N 3Å; L60-V63 PolarHBondContact O-N 3.07Å; V63-W66 WeakPolarHBondContact O-CB 3.39Å; V63-W66 PolarHBondContact O-N 3.48Å; V63-A67 PolarHBondContact O-N 2.99Å; V63-L108 HydrophobicContact CG2-CD2 3.91Å; V63-L108 HydrophobicContact CG2-CG 4.15Å; V63-V109 HydrophobicContact CG2-CG2 4.18Å
64	K	95.6	Very high	92.7	Very high	120 Å²	120	82.6 Å²	82.6	52%	0.522	40%	0.404	S	S	.	.	H	α-helix	trans	-58.1	-49.8	175	-75.9	175	178.1	176.9	0	111.9	L60 E61 W66 A67 D68	L60-K64 HydrophobicContact CG-CD 4.37Å; L60-K64 WeakPolarHBondContact O-CB 3.23Å; L60-K64 WeakPolarHBondContact O-CG 3.32Å; L60-K64 PolarHBondContact O-N 3.29Å; E61-K64 PolarHBondContact O-N 2.67Å; K64-W66 PolarHBondContact O-N 3.38Å; K64-A67 WeakPolarHBondContact O-CB 3.43Å; K64-A67 PolarHBondContact O-N 3.02Å; K64-D68 VanDerWaalsContact O-CG 3.3Å; K64-D68 PolarHBondContact O-N 2.9Å
65	R	94.7	Very high	92.1	Very high	147 Å²	147	78 Å²	78	56%	0.555	40%	0.397	S	S	*	.	H	α-helix	trans	-59.4	-35.4	176.7	-67.8	178.3	-163.2	166.3	5.1	112.5	E61 R62 K69	E61-R65 WeakPolarHBondContact O-CG 3.37Å; E61-R65 PolarHBondContact O-N 3.29Å; E61-R65 IonicContact OE1-CZ 3.4Å; E61-R65 IonicContact OE1-NE 2.69Å; E61-R65 IonicContact OE1-NH2 3.59Å; E61-R65 PolarHBondContact OE1-NH2 2.94Å; E61-R65 IonicContact OE2-NH2 3.32Å; E61-R65 PolarHBondContact OE2-NH2 2.91Å; R62-R65 PolarHBondContact O-N 3.41Å; R65-K69 WeakPolarHBondContact O-CB 3.36Å; R65-K69 PolarHBondContact O-N 3.29Å; R65-K69 VanDerWaalsContact O-N 3.17Å
66	W	93.3	Very high	91.4	Very high	63 Å²	63	80.3 Å²	80.3	24%	0.239	41%	0.408	C	S	.	.	H	α-helix	trans	-67.2	-45.1	173.8	-98.3	80.1	0	0	0	112	R62 V63 K64 K69 L70 E101 D104 L105	R62-W66 PolarHBondContact O-N 3.49Å; R62-W66 VanDerWaalsContact O-N 3.09Å; V63-W66 WeakPolarHBondContact O-CB 3.39Å; V63-W66 PolarHBondContact O-N 3.48Å; K64-W66 PolarHBondContact O-N 3.38Å; W66-K69 PolarHBondContact O-N 3.31Å; W66-L70 HydrophobicContact CE3-CD1 4.3Å; W66-L70 VanDerWaalsContact O-CG 3.29Å; W66-L70 WeakPolarHBondContact O-CG 3.29Å; W66-L70 PolarHBondContact O-N 2.93Å; W66-E101 HydrophobicContact CH2-CB 3.63Å; W66-E101 HydrophobicContact CH2-CG 4.33Å; W66-E101 WeakPolarHBondContact CH2-O 3.46Å; W66-E101 HydrophobicContact CZ3-CB 3.74Å; W66-E101 WeakPolarHBondContact CZ3-O 3.41Å; W66-D104 HydrophobicContact CH2-CB 4.36Å; W66-L105 HydrophobicContact CB-CD1 4.04Å; W66-L105 HydrophobicContact CD2-CD1 4.35Å; W66-L105 HydrophobicContact CE3-CB 4.02Å; W66-L105 HydrophobicContact CE3-CD1 4.36Å; W66-L105 HydrophobicContact CE3-CD2 4.27Å; W66-L105 HydrophobicContact CE3-CG 4.45Å; W66-L105 HydrophobicContact CG-CD1 4.24Å; W66-L105 HydrophobicContact CZ3-CB 4.07Å
67	A	93.2	Very high	90.6	Very high	50 Å²	50	78.7 Å²	78.7	41%	0.413	40%	0.403	S	S	.	.	H	α-helix	trans	-59.9	-48.2	176.7	0	0	0	0	0	111.6	V63 K64 K69 L70 D71	V63-A67 PolarHBondContact O-N 2.99Å; K64-A67 WeakPolarHBondContact O-CB 3.43Å; K64-A67 PolarHBondContact O-N 3.02Å; A67-K69 VanDerWaalsContact C-N 3.32Å; A67-K69 PolarHBondContact O-N 2.89Å; A67-L70 PolarHBondContact O-N 3.23Å; A67-L70 VanDerWaalsContact O-N 3.11Å; A67-D71 WeakPolarHBondContact O-CB 3.26Å; A67-D71 PolarHBondContact O-N 2.97Å
68	D	93.7	Very high	90.1	Very high	109 Å²	109	78 Å²	78	58%	0.583	41%	0.407	S	S	*	.	H	α-helix	trans	-59.9	-42.3	178.4	-62.4	-26.5	0	0	0	111.8	K64 D71 S72	K64-D68 VanDerWaalsContact O-CG 3.3Å; K64-D68 PolarHBondContact O-N 2.9Å; D68-D71 PolarHBondContact O-N 3.02Å; D68-S72 PolarHBondContact O-N 3.37Å; D68-S72 VanDerWaalsContact O-N 3.16Å; D68-S72 PolarHBondContact O-OG 2.87Å
69	K	89.9	Confident	89.6	Confident	96 Å²	96	81.5 Å²	81.5	42%	0.417	42%	0.421	S	S	.	.	H	α-helix	trans	-63.1	-43.8	175.8	-178.6	-173.5	171.9	-160.7	0	111.2	R65 W66 A67 S72 L73 E101	R65-K69 WeakPolarHBondContact O-CB 3.36Å; R65-K69 PolarHBondContact O-N 3.29Å; R65-K69 VanDerWaalsContact O-N 3.17Å; W66-K69 PolarHBondContact O-N 3.31Å; A67-K69 VanDerWaalsContact C-N 3.32Å; A67-K69 PolarHBondContact O-N 2.89Å; K69-S72 PolarHBondContact O-OG 3.04Å; K69-L73 HydrophobicContact CG-CD1 4.15Å; K69-L73 WeakPolarHBondContact O-CD1 3.28Å; K69-L73 VanDerWaalsContact O-CG 3.28Å; K69-L73 WeakPolarHBondContact O-CG 3.44Å; K69-L73 PolarHBondContact O-N 3.2Å; K69-E101 IonicContact NZ-OE2 3.53Å
70	L	88.1	Confident	89.2	Confident	16 Å²	16	84.3 Å²	84.3	8%	0.084	44%	0.437	C	S	.	.	H	α-helix	trans	-66.6	-41.6	179.3	-71.9	173.7	0	0	0	111.5	W66 A67 L73 T74 R97 W102 L105	W66-L70 HydrophobicContact CE3-CD1 4.3Å; W66-L70 VanDerWaalsContact O-CG 3.29Å; W66-L70 WeakPolarHBondContact O-CG 3.29Å; W66-L70 PolarHBondContact O-N 2.93Å; A67-L70 PolarHBondContact O-N 3.23Å; A67-L70 VanDerWaalsContact O-N 3.11Å; L70-L73 PolarHBondContact O-N 2.98Å; L70-L73 VanDerWaalsContact O-N 3.17Å; L70-T74 PolarHBondContact O-N 2.95Å; L70-T74 PolarHBondContact O-OG1 3.43Å; L70-R97 HydrophobicContact CD2-CG 4.1Å; L70-W102 HydrophobicContact CD1-CH2 4.37Å; L70-W102 HydrophobicContact CD1-CZ2 4.06Å; L70-L105 HydrophobicContact CD1-CD2 3.98Å
71	D	88.9	Confident	88.7	Confident	113 Å²	113	83.4 Å²	83.4	60%	0.604	44%	0.437	S	S	*	.	H	α-helix	trans	-61.3	-46.4	-179.6	-168.9	47.3	0	0	0	112.2	A67 D68 L73 T74 A75	A67-D71 WeakPolarHBondContact O-CB 3.26Å; A67-D71 PolarHBondContact O-N 2.97Å; D68-D71 PolarHBondContact O-N 3.02Å; D71-L73 VanDerWaalsContact C-N 3.26Å; D71-L73 PolarHBondContact O-N 3.46Å; D71-T74 WeakPolarHBondContact CA-OG1 3.5Å; D71-T74 PolarHBondContact O-N 3.29Å; D71-T74 PolarHBondContact O-OG1 3.45Å; D71-A75 WeakPolarHBondContact O-CB 3.34Å; D71-A75 PolarHBondContact O-N 3.16Å
72	S	86.6	Confident	88	Confident	67 Å²	67	87.5 Å²	87.5	47%	0.469	46%	0.456	S	S	.	.	H	α-helix	trans	-60.1	-36.6	175.5	68.6	0	0	0	0	112.9	D68 K69 T76	D68-S72 PolarHBondContact O-N 3.37Å; D68-S72 VanDerWaalsContact O-N 3.16Å; D68-S72 PolarHBondContact O-OG 2.87Å; K69-S72 PolarHBondContact O-OG 3.04Å; S72-T76 PolarHBondContact O-N 3.01Å; S72-T76 PolarHBondContact O-OG1 3.02Å
73	L	82.8	Confident	87.4	Confident	54 Å²	54	82.9 Å²	82.9	28%	0.283	45%	0.452	S	S	.	.	H	α-helix	trans	-76.6	-36.5	-179.8	-71.3	169.1	0	0	0	112.4	K69 L70 D71 A77	K69-L73 HydrophobicContact CG-CD1 4.15Å; K69-L73 WeakPolarHBondContact O-CD1 3.28Å; K69-L73 VanDerWaalsContact O-CG 3.28Å; K69-L73 WeakPolarHBondContact O-CG 3.44Å; K69-L73 PolarHBondContact O-N 3.2Å; L70-L73 PolarHBondContact O-N 2.98Å; L70-L73 VanDerWaalsContact O-N 3.17Å; D71-L73 VanDerWaalsContact C-N 3.26Å; D71-L73 PolarHBondContact O-N 3.46Å; L73-A77 WeakPolarHBondContact O-CB 3.49Å; L73-A77 PolarHBondContact O-N 3.29Å
74	T	82.6	Confident	86.9	Confident	62 Å²	62	83 Å²	83	38%	0.38	45%	0.449	S	S	.	.	H	α-helix	trans	-71.6	-39.5	176.2	44.3	0	0	0	0	111.2	L70 D71 T76 A77 T78	L70-T74 PolarHBondContact O-N 2.95Å; L70-T74 PolarHBondContact O-OG1 3.43Å; D71-T74 WeakPolarHBondContact CA-OG1 3.5Å; D71-T74 PolarHBondContact O-N 3.29Å; D71-T74 PolarHBondContact O-OG1 3.45Å; T74-T76 VanDerWaalsContact C-N 3.3Å; T74-T76 PolarHBondContact O-N 3.27Å; T74-A77 PolarHBondContact O-N 3.34Å; T74-T78 WeakPolarHBondContact O-CG2 3.34Å; T74-T78 PolarHBondContact O-N 3.15Å; T74-T78 PolarHBondContact O-OG1 3.05Å
75	A	84	Confident	86.4	Confident	48 Å²	48	81 Å²	81	40%	0.397	44%	0.444	S	S	.	.	H	α-helix	trans	-59.7	-38.3	176.9	0	0	0	0	0	113.1	D71 T78	D71-A75 WeakPolarHBondContact O-CB 3.34Å; D71-A75 PolarHBondContact O-N 3.16Å; A75-T78 PolarHBondContact O-OG1 2.89Å
76	T	79.3	Confident	85.9	Confident	84 Å²	84	77.1 Å²	77.1	52%	0.515	45%	0.449	S	S	.	.	H	α-helix	trans	-73.8	-38.2	177.4	-50.7	0	0	0	0	111.7	S72 T74	S72-T76 PolarHBondContact O-N 3.01Å; S72-T76 PolarHBondContact O-OG1 3.02Å; T74-T76 VanDerWaalsContact C-N 3.3Å; T74-T76 PolarHBondContact O-N 3.27Å
77	A	79.4	Confident	85.7	Confident	19 Å²	19	78.8 Å²	78.8	16%	0.157	46%	0.459	C	S	.	.	H	α-helix	trans	-74.4	-24.7	-176.6	0	0	0	0	0	113.7	L73 T74 F84	L73-A77 WeakPolarHBondContact O-CB 3.49Å; L73-A77 PolarHBondContact O-N 3.29Å; T74-A77 PolarHBondContact O-N 3.34Å; A77-F84 HydrophobicContact CB-CD1 3.98Å; A77-F84 HydrophobicContact CB-CE1 3.88Å; A77-F84 HydrophobicContact CB-CG 4.35Å; A77-F84 HydrophobicContact CB-CZ 4.17Å
78	T	85.2	Confident	85.4	Confident	102 Å²	102	81.3 Å²	81.3	63%	0.626	47%	0.472	S	S	*	.	H	α-helix	trans	-86.8	-14.6	-179.6	50.7	0	0	0	0	114.2	T74 A75	T74-T78 WeakPolarHBondContact O-CG2 3.34Å; T74-T78 PolarHBondContact O-N 3.15Å; T74-T78 PolarHBondContact O-OG1 3.05Å; A75-T78 PolarHBondContact O-OG1 2.89Å
79	Q	86.1	Confident	85.1	Confident	171 Å²	171	80.2 Å²	80.2	80%	0.799	47%	0.469	S	S	*	.	H	α-helix	trans	-72	-34.8	176.5	-80.5	-179.4	-4.1	0	0	113.4
80	D	85.6	Confident	84.9	Confident	92 Å²	92	77.8 Å²	77.8	49%	0.492	46%	0.46	S	S	.	.	S	Bend	trans	-148.8	83.4	175.1	176.5	18	0	0	0	110.7	E82 G83 F84	D80-E82 PolarHBondContact O-N 2.92Å; D80-G83 PolarHBondContact OD1-N 3.23Å; D80-G83 WeakPolarHBondContact OD2-CA 3.26Å; D80-F84 WeakPolarHBondContact O-CB 3.31Å; D80-F84 PolarHBondContact O-N 2.84Å
81	P	86.3	Confident	84.9	Confident	71 Å²	71	78.6 Å²	78.6	46%	0.461	47%	0.469	S	S	.	.	H	α-helix	trans	-65	-40.9	-173.6	-23.6	34.4	0	0	0	114	L85	P81-L85 WeakPolarHBondContact O-CB 3.2Å; P81-L85 VanDerWaalsContact O-CG 3.24Å; P81-L85 WeakPolarHBondContact O-CG 3.31Å; P81-L85 PolarHBondContact O-N 3.27Å
82	E	82.5	Confident	85	Confident	175 Å²	175	79.6 Å²	79.6	82%	0.818	47%	0.469	S	S	*	.	H	α-helix	trans	-72.7	-44.1	-177.9	-75.9	-169.7	168.5	0	0	111.6	D80 G86	D80-E82 PolarHBondContact O-N 2.92Å; E82-G86 PolarHBondContact O-N 2.89Å
83	G	82.8	Confident	85.1	Confident	43 Å²	43	80.3 Å²	80.3	44%	0.443	46%	0.463	S	S	.	.	H	α-helix	trans	-68.1	-36.6	175.5	0	0	0	0	0	112.7	D80 G86	D80-G83 PolarHBondContact OD1-N 3.23Å; D80-G83 WeakPolarHBondContact OD2-CA 3.26Å; G83-G86 PolarHBondContact O-N 2.81Å
84	F	83.7	Confident	85.5	Confident	40 Å²	40	79.5 Å²	79.5	18%	0.175	46%	0.459	C	S	.	.	H	α-helix	trans	-64.4	-46.4	175.8	-176.1	-94.8	0	0	0	111.9	A77 D80 G86 N90	A77-F84 HydrophobicContact CB-CD1 3.98Å; A77-F84 HydrophobicContact CB-CE1 3.88Å; A77-F84 HydrophobicContact CB-CG 4.35Å; A77-F84 HydrophobicContact CB-CZ 4.17Å; D80-F84 WeakPolarHBondContact O-CB 3.31Å; D80-F84 PolarHBondContact O-N 2.84Å; F84-G86 VanDerWaalsContact C-N 3.35Å; F84-N90 HydrophobicContact CD1-CB 4.03Å; F84-N90 HydrophobicContact CE1-CB 3.75Å; F84-N90 HydrophobicContact CE2-CB 4.26Å; F84-N90 HydrophobicContact CG-CB 4.4Å; F84-N90 HydrophobicContact CZ-CB 3.87Å; F84-N90 WeakPolarHBondContact O-CB 3.45Å; F84-N90 PolarHBondContact O-ND2 2.99Å
85	L	86.8	Confident	85.8	Confident	80 Å²	80	82 Å²	82	42%	0.419	47%	0.468	S	S	.	.	H	α-helix	trans	-77.4	-19	179.9	-66.7	175.7	0	0	0	113.6	P81 H87 L94	P81-L85 WeakPolarHBondContact O-CB 3.2Å; P81-L85 VanDerWaalsContact O-CG 3.24Å; P81-L85 WeakPolarHBondContact O-CG 3.31Å; P81-L85 PolarHBondContact O-N 3.27Å; L85-H87 PolarHBondContact O-N 2.97Å; L85-L94 HydrophobicContact CD2-CD2 3.62Å
86	G	83.8	Confident	86.3	Confident	64 Å²	64	84 Å²	84	66%	0.66	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.9	172.2	0	0	0	0	0	113.8	E82 G83 F84	E82-G86 PolarHBondContact O-N 2.89Å; G83-G86 PolarHBondContact O-N 2.81Å; F84-G86 VanDerWaalsContact C-N 3.35Å
87	H	87.9	Confident	86.9	Confident	98 Å²	98	80.8 Å²	80.8	45%	0.454	45%	0.446	S	S	.	.	S	Bend	trans	-90.4	118.1	175.1	-167.9	-88.1	0	0	0	111.4	L85 V89 N90 A91	L85-H87 PolarHBondContact O-N 2.97Å; H87-V89 VanDerWaalsContact CE1-CG2 3.46Å; H87-V89 WeakPolarHBondContact CE1-CG2 3.44Å; H87-V89 WeakPolarHBondContact ND1-CB 3.34Å; H87-V89 PolarHBondContact ND1-N 3.47Å; H87-V89 PolarHBondContact O-N 3.23Å; H87-N90 HydrophobicContact CB-CB 4.35Å; H87-N90 WeakPolarHBondContact O-CB 3.36Å; H87-N90 PolarHBondContact O-N 3.09Å; H87-A91 PolarHBondContact O-N 3.04Å
88	P	86.8	Confident	87.4	Confident	103 Å²	103	84.7 Å²	84.7	67%	0.669	46%	0.464	S	S	*	.	H	α-helix	trans	-55.8	-32.2	-173.3	-28.1	34.7	0	0	0	115.2	F92	P88-F92 WeakPolarHBondContact O-CB 3.33Å; P88-F92 PolarHBondContact O-N 2.98Å
89	V	87.7	Confident	87.8	Confident	86 Å²	86	86.2 Å²	86.2	52%	0.521	47%	0.468	S	S	.	.	H	α-helix	trans	-67.2	-38.7	176.8	179.8	0	0	0	0	111.6	H87 K93	H87-V89 VanDerWaalsContact CE1-CG2 3.46Å; H87-V89 WeakPolarHBondContact CE1-CG2 3.44Å; H87-V89 WeakPolarHBondContact ND1-CB 3.34Å; H87-V89 PolarHBondContact ND1-N 3.47Å; H87-V89 PolarHBondContact O-N 3.23Å; V89-K93 HydrophobicContact CG1-CG 4.4Å; V89-K93 WeakPolarHBondContact O-CB 3.35Å; V89-K93 VanDerWaalsContact O-CG 3.26Å; V89-K93 WeakPolarHBondContact O-CG 3.15Å; V89-K93 PolarHBondContact O-N 3.43Å
90	N	87.3	Confident	88.1	Confident	45 Å²	45	80.9 Å²	80.9	24%	0.241	45%	0.447	C	S	.	.	H	α-helix	trans	-71.9	-41.3	-179.1	-69.8	-13.7	0	0	0	110.7	F84 H87 K93 L94	F84-N90 HydrophobicContact CD1-CB 4.03Å; F84-N90 HydrophobicContact CE1-CB 3.75Å; F84-N90 HydrophobicContact CE2-CB 4.26Å; F84-N90 HydrophobicContact CG-CB 4.4Å; F84-N90 HydrophobicContact CZ-CB 3.87Å; F84-N90 WeakPolarHBondContact O-CB 3.45Å; F84-N90 PolarHBondContact O-ND2 2.99Å; H87-N90 HydrophobicContact CB-CB 4.35Å; H87-N90 WeakPolarHBondContact O-CB 3.36Å; H87-N90 PolarHBondContact O-N 3.09Å; N90-K93 PolarHBondContact O-N 3.37Å; N90-L94 PolarHBondContact O-N 3.43Å
91	A	87.1	Confident	88.4	Confident	33 Å²	33	77.2 Å²	77.2	27%	0.273	43%	0.427	S	S	.	.	H	α-helix	trans	-58.2	-48.7	172.6	0	0	0	0	0	111.5	H87 K93 L94 M95	H87-A91 PolarHBondContact O-N 3.04Å; A91-K93 PolarHBondContact O-N 3.17Å; A91-L94 PolarHBondContact O-N 2.93Å; A91-M95 VanDerWaalsContact O-CG 3.32Å; A91-M95 WeakPolarHBondContact O-CG 3.39Å; A91-M95 PolarHBondContact O-N 3.42Å
92	F	91.1	Very high	88.7	Confident	135 Å²	135	79.9 Å²	79.9	59%	0.592	43%	0.428	S	S	*	.	H	α-helix	trans	-59.9	-45	174.9	173.3	-101.1	0	0	0	112.5	P88 L94 M95 K96	P88-F92 WeakPolarHBondContact O-CB 3.33Å; P88-F92 PolarHBondContact O-N 2.98Å; F92-L94 PolarHBondContact O-N 3.47Å; F92-M95 PolarHBondContact O-N 3.03Å; F92-K96 HydrophobicContact CE1-CD 4.44Å; F92-K96 WeakPolarHBondContact O-CB 3.16Å; F92-K96 PolarHBondContact O-N 3.28Å
93	K	89.3	Confident	89.2	Confident	81 Å²	81	72.9 Å²	72.9	35%	0.352	40%	0.403	S	S	.	.	H	α-helix	trans	-63.3	-38.6	179.4	-78.5	-70.4	-66.2	167.7	0	112.4	V89 N90 A91 R97 E101	V89-K93 HydrophobicContact CG1-CG 4.4Å; V89-K93 WeakPolarHBondContact O-CB 3.35Å; V89-K93 VanDerWaalsContact O-CG 3.26Å; V89-K93 WeakPolarHBondContact O-CG 3.15Å; V89-K93 PolarHBondContact O-N 3.43Å; N90-K93 PolarHBondContact O-N 3.37Å; A91-K93 PolarHBondContact O-N 3.17Å; K93-R97 VanDerWaalsContact O-CB 3.23Å; K93-R97 WeakPolarHBondContact O-CB 3.3Å; K93-R97 PolarHBondContact O-N 2.86Å; K93-E101 IonicContact NZ-OE1 3.47Å
94	L	90.2	Very high	89.7	Confident	37 Å²	37	75.2 Å²	75.2	19%	0.194	41%	0.405	C	S	.	.	H	α-helix	trans	-65.6	-47.1	174.2	177.6	64.7	0	0	0	111.3	L85 N90 A91 F92 R97 L98	L85-L94 HydrophobicContact CD2-CD2 3.62Å; N90-L94 PolarHBondContact O-N 3.43Å; A91-L94 PolarHBondContact O-N 2.93Å; F92-L94 PolarHBondContact O-N 3.47Å; L94-R97 VanDerWaalsContact CD1-NH2 3.25Å; L94-R97 WeakPolarHBondContact O-CB 2.97Å; L94-R97 PolarHBondContact O-N 3.37Å; L94-R97 VanDerWaalsContact O-N 3.15Å; L94-L98 HydrophobicContact CD1-CD1 3.94Å; L94-L98 HydrophobicContact CD1-CG 4.1Å; L94-L98 HydrophobicContact CG-CD1 4.12Å; L94-L98 PolarHBondContact O-N 3.34Å
95	M	90.1	Very high	90.2	Very high	114 Å²	114	74.3 Å²	74.3	56%	0.562	40%	0.402	S	S	*	.	H	α-helix	trans	-60.4	-46.9	178.3	-68.9	-62.8	97.6	0	0	111.7	A91 F92 R97 L98 N99	A91-M95 VanDerWaalsContact O-CG 3.32Å; A91-M95 WeakPolarHBondContact O-CG 3.39Å; A91-M95 PolarHBondContact O-N 3.42Å; F92-M95 PolarHBondContact O-N 3.03Å; M95-R97 VanDerWaalsContact C-N 3.3Å; M95-R97 PolarHBondContact O-N 2.78Å; M95-L98 HydrophobicContact CE-CD1 4.36Å; M95-L98 PolarHBondContact O-N 2.9Å; M95-N99 WeakPolarHBondContact O-CB 3.26Å; M95-N99 PolarHBondContact O-N 3.18Å
96	K	92.9	Very high	90.4	Very high	92 Å²	92	76.3 Å²	76.3	40%	0.4	41%	0.409	S	S	.	.	H	α-helix	trans	-59.1	-42	173.8	179.3	179.3	175.3	177.5	0	111.7	F92 T100 E101	F92-K96 HydrophobicContact CE1-CD 4.44Å; F92-K96 WeakPolarHBondContact O-CB 3.16Å; F92-K96 PolarHBondContact O-N 3.28Å; K96-T100 WeakPolarHBondContact O-CB 3.46Å; K96-T100 PolarHBondContact O-N 3.39Å; K96-E101 PolarHBondContact O-N 3.26Å
97	R	91.9	Very high	91	Very high	15 Å²	15	77 Å²	77	6%	0.057	40%	0.404	C	S	.	.	I	π-helix	trans	-62.6	-51.5	-178.6	-176.8	169.6	64.1	-142.5	7.8	111.1	L70 K93 L94 M95 E101 W102	L70-R97 HydrophobicContact CD2-CG 4.1Å; K93-R97 VanDerWaalsContact O-CB 3.23Å; K93-R97 WeakPolarHBondContact O-CB 3.3Å; K93-R97 PolarHBondContact O-N 2.86Å; L94-R97 VanDerWaalsContact CD1-NH2 3.25Å; L94-R97 WeakPolarHBondContact O-CB 2.97Å; L94-R97 PolarHBondContact O-N 3.37Å; L94-R97 VanDerWaalsContact O-N 3.15Å; M95-R97 VanDerWaalsContact C-N 3.3Å; M95-R97 PolarHBondContact O-N 2.78Å; R97-E101 HydrophobicContact CG-CB 4.26Å; R97-E101 PolarHBondContact O-N 3.43Å; R97-E101 VanDerWaalsContact O-N 3.17Å; R97-W102 VanDerWaalsContact O-CD1 3.27Å; R97-W102 PolarHBondContact O-N 3.29Å
98	L	91.6	Very high	91.2	Very high	101 Å²	101	73.2 Å²	73.2	53%	0.529	39%	0.387	S	S	.	.	I	π-helix	trans	-67.6	-35.9	180	-66.9	176.3	0	0	0	113.1	L94 M95	L94-L98 HydrophobicContact CD1-CD1 3.94Å; L94-L98 HydrophobicContact CD1-CG 4.1Å; L94-L98 HydrophobicContact CG-CD1 4.12Å; L94-L98 PolarHBondContact O-N 3.34Å; M95-L98 HydrophobicContact CE-CD1 4.36Å; M95-L98 PolarHBondContact O-N 2.9Å
99	N	91.8	Very high	91.5	Very high	135 Å²	135	71.9 Å²	71.9	72%	0.722	38%	0.377	S	S	*	.	I	π-helix	trans	-84.2	-31.5	-176.8	-173.9	61	0	0	0	114.2	M95	M95-N99 WeakPolarHBondContact O-CB 3.26Å; M95-N99 PolarHBondContact O-N 3.18Å
100	T	92.3	Very high	91.8	Very high	58 Å²	58	73.9 Å²	73.9	36%	0.356	38%	0.384	S	S	.	.	I	π-helix	trans	-125	-54.2	-171.1	-50.7	0	0	0	0	112.1	K96 W102 G103 D104	K96-T100 WeakPolarHBondContact O-CB 3.46Å; K96-T100 PolarHBondContact O-N 3.39Å; T100-W102 VanDerWaalsContact C-N 3.3Å; T100-W102 PolarHBondContact O-N 2.98Å; T100-G103 PolarHBondContact O-N 3.33Å; T100-D104 PolarHBondContact O-N 3.5Å
101	E	92.7	Very high	92.1	Very high	16 Å²	16	73.9 Å²	73.9	8%	0.075	39%	0.388	C	S	.	.	I	π-helix	trans	-63.4	-36.3	-172.8	-61	-174.3	-171.6	0	0	111.8	W66 K69 K93 K96 R97 D104 L105	W66-E101 HydrophobicContact CH2-CB 3.63Å; W66-E101 HydrophobicContact CH2-CG 4.33Å; W66-E101 WeakPolarHBondContact CH2-O 3.46Å; W66-E101 HydrophobicContact CZ3-CB 3.74Å; W66-E101 WeakPolarHBondContact CZ3-O 3.41Å; K69-E101 IonicContact NZ-OE2 3.53Å; K93-E101 IonicContact NZ-OE1 3.47Å; K96-E101 PolarHBondContact O-N 3.26Å; R97-E101 HydrophobicContact CG-CB 4.26Å; R97-E101 PolarHBondContact O-N 3.43Å; R97-E101 VanDerWaalsContact O-N 3.17Å; E101-D104 PolarHBondContact O-N 2.93Å; E101-L105 PolarHBondContact O-N 2.76Å; E101-L105 VanDerWaalsContact O-N 3.09Å
102	W	92.7	Very high	92.3	Very high	126 Å²	126	77.3 Å²	77.3	48%	0.477	40%	0.401	S	S	.	.	H	α-helix	trans	-66.5	-34.9	173.8	-84.9	95.6	0	0	0	113.6	L70 R97 T100 L105 E106	L70-W102 HydrophobicContact CD1-CH2 4.37Å; L70-W102 HydrophobicContact CD1-CZ2 4.06Å; R97-W102 VanDerWaalsContact O-CD1 3.27Å; R97-W102 PolarHBondContact O-N 3.29Å; T100-W102 VanDerWaalsContact C-N 3.3Å; T100-W102 PolarHBondContact O-N 2.98Å; W102-L105 HydrophobicContact CE3-CD2 4.23Å; W102-L105 HydrophobicContact CZ3-CD2 4.23Å; W102-L105 PolarHBondContact O-N 3.22Å; W102-E106 PolarHBondContact O-N 3.03Å
103	G	93.4	Very high	92.3	Very high	28 Å²	28	72.5 Å²	72.5	29%	0.289	38%	0.383	S	S	.	.	H	α-helix	trans	-70	-35.1	175	0	0	0	0	0	113	T100 L105 E106 S107	T100-G103 PolarHBondContact O-N 3.33Å; G103-L105 VanDerWaalsContact C-N 3.35Å; G103-E106 PolarHBondContact O-N 2.98Å; G103-S107 WeakPolarHBondContact O-CB 3.47Å; G103-S107 PolarHBondContact O-N 3.43Å; G103-S107 PolarHBondContact O-OG 3.28Å
104	D	92.9	Very high	92.5	Very high	92 Å²	92	70.5 Å²	70.5	49%	0.492	38%	0.378	S	S	.	.	H	α-helix	trans	-64.9	-40.2	172.3	-65.5	-27.3	0	0	0	111.2	W66 T100 E101 S107 L108	W66-D104 HydrophobicContact CH2-CB 4.36Å; T100-D104 PolarHBondContact O-N 3.5Å; E101-D104 PolarHBondContact O-N 2.93Å; D104-S107 PolarHBondContact O-N 2.85Å; D104-L108 PolarHBondContact O-N 3.34Å
105	L	93.4	Very high	92.5	Very high	21 Å²	21	73.9 Å²	73.9	11%	0.11	40%	0.396	C	S	.	.	H	α-helix	trans	-65.6	-45.3	175.5	178.2	61.2	0	0	0	111.5	W66 L70 E101 W102 G103 S107 L108 V109	W66-L105 HydrophobicContact CB-CD1 4.04Å; W66-L105 HydrophobicContact CD2-CD1 4.35Å; W66-L105 HydrophobicContact CE3-CB 4.02Å; W66-L105 HydrophobicContact CE3-CD1 4.36Å; W66-L105 HydrophobicContact CE3-CD2 4.27Å; W66-L105 HydrophobicContact CE3-CG 4.45Å; W66-L105 HydrophobicContact CG-CD1 4.24Å; W66-L105 HydrophobicContact CZ3-CB 4.07Å; L70-L105 HydrophobicContact CD1-CD2 3.98Å; E101-L105 PolarHBondContact O-N 2.76Å; E101-L105 VanDerWaalsContact O-N 3.09Å; W102-L105 HydrophobicContact CE3-CD2 4.23Å; W102-L105 HydrophobicContact CZ3-CD2 4.23Å; W102-L105 PolarHBondContact O-N 3.22Å; G103-L105 VanDerWaalsContact C-N 3.35Å; L105-S107 VanDerWaalsContact C-N 3.31Å; L105-S107 PolarHBondContact O-N 2.93Å; L105-L108 PolarHBondContact O-N 3.13Å; L105-V109 HydrophobicContact CD1-CG2 4.23Å; L105-V109 HydrophobicContact CG-CG2 4.47Å; L105-V109 WeakPolarHBondContact O-CG2 3.45Å; L105-V109 PolarHBondContact O-N 2.58Å
106	E	92.4	Very high	92.4	Very high	122 Å²	122	70.9 Å²	70.9	57%	0.57	40%	0.395	S	S	*	.	H	α-helix	trans	-55.9	-47.2	174.5	-179	178	-170.3	0	0	111	W102 G103 L108 V109 L110	W102-E106 PolarHBondContact O-N 3.03Å; G103-E106 PolarHBondContact O-N 2.98Å; E106-L108 VanDerWaalsContact C-N 3.32Å; E106-L108 PolarHBondContact O-N 2.98Å; E106-V109 PolarHBondContact O-N 3.5Å; E106-L110 HydrophobicContact CG-CD1 3.84Å; E106-L110 HydrophobicContact CG-CG 4.4Å; E106-L110 WeakPolarHBondContact O-CB 2.7Å; E106-L110 WeakPolarHBondContact O-CG 3.49Å; E106-L110 PolarHBondContact O-N 2.83Å
107	S	94.8	Very high	92.5	Very high	79 Å²	79	68.4 Å²	68.4	55%	0.552	38%	0.384	S	S	*	.	H	α-helix	trans	-60.7	-39.5	177.2	-59.7	0	0	0	0	112.5	G103 D104 L105 S111	G103-S107 WeakPolarHBondContact O-CB 3.47Å; G103-S107 PolarHBondContact O-N 3.43Å; G103-S107 PolarHBondContact O-OG 3.28Å; D104-S107 PolarHBondContact O-N 2.85Å; L105-S107 VanDerWaalsContact C-N 3.31Å; L105-S107 PolarHBondContact O-N 2.93Å; S107-S111 PolarHBondContact O-N 3.39Å
108	L	93.6	Very high	92.6	Very high	18 Å²	18	71.3 Å²	71.3	9%	0.094	40%	0.4	C	S	.	.	H	α-helix	trans	-66	-44.5	174.6	177.6	62.5	0	0	0	111.5	K59 R62 V63 D104 L105 E106 L110 S111	K59-L108 WeakPolarHBondContact CE-O 3.46Å; K59-L108 HydrophobicContact CG-CD1 4.39Å; R62-L108 HydrophobicContact CB-CD2 3.93Å; V63-L108 HydrophobicContact CG2-CD2 3.91Å; V63-L108 HydrophobicContact CG2-CG 4.15Å; D104-L108 PolarHBondContact O-N 3.34Å; L105-L108 PolarHBondContact O-N 3.13Å; E106-L108 VanDerWaalsContact C-N 3.32Å; E106-L108 PolarHBondContact O-N 2.98Å; L108-L110 VanDerWaalsContact C-N 3.34Å; L108-L110 PolarHBondContact O-N 3.49Å; L108-S111 WeakPolarHBondContact O-CB 3.44Å; L108-S111 PolarHBondContact O-N 3.26Å; L108-S111 PolarHBondContact O-OG 3.13Å
109	V	93	Very high	92.6	Very high	75 Å²	75	69 Å²	69	46%	0.455	39%	0.392	S	S	.	.	H	α-helix	trans	-63.1	-42.1	179.6	170.7	0	0	0	0	110.9	K59 V63 L105 E106 S111	K59-V109 VanDerWaalsContact CE-O 3.3Å; K59-V109 WeakPolarHBondContact CE-O 3.41Å; K59-V109 PolarHBondContact NZ-O 2.83Å; V63-V109 HydrophobicContact CG2-CG2 4.18Å; L105-V109 HydrophobicContact CD1-CG2 4.23Å; L105-V109 HydrophobicContact CG-CG2 4.47Å; L105-V109 WeakPolarHBondContact O-CG2 3.45Å; L105-V109 PolarHBondContact O-N 2.58Å; E106-V109 PolarHBondContact O-N 3.5Å; V109-S111 VanDerWaalsContact C-N 3.31Å; V109-S111 PolarHBondContact O-N 3.15Å
110	L	93.9	Very high	92.5	Very high	128 Å²	128	64.7 Å²	64.7	67%	0.67	37%	0.369	S	S	*	.	H	α-helix	trans	-77.1	-12.4	178.6	-66.5	176.9	0	0	0	114.1	E106 L108 D112	E106-L110 HydrophobicContact CG-CD1 3.84Å; E106-L110 HydrophobicContact CG-CG 4.4Å; E106-L110 WeakPolarHBondContact O-CB 2.7Å; E106-L110 WeakPolarHBondContact O-CG 3.49Å; E106-L110 PolarHBondContact O-N 2.83Å; L108-L110 VanDerWaalsContact C-N 3.34Å; L108-L110 PolarHBondContact O-N 3.49Å; L110-D112 PolarHBondContact O-N 3.41Å
111	S	93.2	Very high	92.5	Very high	46 Å²	46	64.2 Å²	64.2	32%	0.322	36%	0.364	S	S	.	.			trans	-60.6	129	179.8	66.5	0	0	0	0	111.4	K59 S107 L108 V109	K59-S111 PolarHBondContact NZ-O 2.74Å; S107-S111 PolarHBondContact O-N 3.39Å; L108-S111 WeakPolarHBondContact O-CB 3.44Å; L108-S111 PolarHBondContact O-N 3.26Å; L108-S111 PolarHBondContact O-OG 3.13Å; V109-S111 VanDerWaalsContact C-N 3.31Å; V109-S111 PolarHBondContact O-N 3.15Å
112	D	92	Very high	92.5	Very high	104 Å²	104	67.8 Å²	67.8	56%	0.556	39%	0.387	S	S	*	.			trans	-85.2	124	-180	-175.8	20.3	0	0	0	110.9	L110 T114	L110-D112 PolarHBondContact O-N 3.41Å; D112-T114 VanDerWaalsContact CG-OG1 3.27Å; D112-T114 VanDerWaalsContact OD1-CB 3.26Å; D112-T114 WeakPolarHBondContact OD1-CB 3.44Å; D112-T114 WeakPolarHBondContact OD1-CG2 3.39Å; D112-T114 PolarHBondContact OD1-N 3.01Å; D112-T114 PolarHBondContact OD1-OG1 3.42Å; D112-T114 PolarHBondContact OD2-OG1 3.35Å
113	T	91.4	Very high	92.3	Very high	34 Å²	34	66.4 Å²	66.4	21%	0.209	39%	0.388	C	S	.	.			trans	-103.4	-4.4	176.6	23.2	0	0	0	0	112	Y52 A55 E56 K59	Y52-T113 WeakPolarHBondContact CD2-O 3.33Å; A55-T113 HydrophobicContact CB-CG2 3.9Å; E56-T113 PolarHBondContact OE1-OG1 3.39Å; K59-T113 HydrophobicContact CD-CG2 4.32Å
114	T	92.5	Very high	92.1	Very high	40 Å²	40	67.1 Å²	67.1	25%	0.245	38%	0.384	C	S	.	.			trans	-86	-22.6	-172.8	71	0	0	0	0	114	Y52 D112 G116 F117 I118	Y52-T114 HydrophobicContact CD2-CG2 4.32Å; Y52-T114 HydrophobicContact CE2-CG2 3.55Å; D112-T114 VanDerWaalsContact CG-OG1 3.27Å; D112-T114 VanDerWaalsContact OD1-CB 3.26Å; D112-T114 WeakPolarHBondContact OD1-CB 3.44Å; D112-T114 WeakPolarHBondContact OD1-CG2 3.39Å; D112-T114 PolarHBondContact OD1-N 3.01Å; D112-T114 PolarHBondContact OD1-OG1 3.42Å; D112-T114 PolarHBondContact OD2-OG1 3.35Å; T114-G116 PolarHBondContact O-N 3.07Å; T114-G116 VanDerWaalsContact O-N 3.16Å; T114-F117 PolarHBondContact O-N 3.42Å; T114-I118 WeakPolarHBondContact O-CG1 3.44Å; T114-I118 PolarHBondContact O-N 3.23Å
115	D	89.9	Confident	91.9	Very high	107 Å²	107	71.3 Å²	71.3	57%	0.572	39%	0.393	S	S	*	.	H	α-helix	trans	-48.4	-48	-170.5	-177.6	60	0	0	0	114.4	F117 S119	D115-F117 PolarHBondContact O-N 2.58Å; D115-S119 WeakPolarHBondContact O-CB 3.18Å; D115-S119 PolarHBondContact O-N 3.48Å; D115-S119 PolarHBondContact O-OG 2.89Å
116	G	89	Confident	91.4	Very high	52 Å²	52	76.3 Å²	76.3	54%	0.536	42%	0.415	S	S	.	.	H	α-helix	trans	-64.2	-40.9	-179.7	0	0	0	0	0	113.5	T114 N120	T114-G116 PolarHBondContact O-N 3.07Å; T114-G116 VanDerWaalsContact O-N 3.16Å; G116-N120 WeakPolarHBondContact O-CB 3.27Å; G116-N120 PolarHBondContact O-N 3.26Å
117	F	93.3	Very high	91	Very high	39 Å²	39	76.5 Å²	76.5	17%	0.171	41%	0.412	C	S	.	.	H	α-helix	trans	-73.4	-46.8	178.4	171.2	-108.1	0	0	0	111.5	L49 Y52 T114 D115 S119 N120 L121	L49-F117 HydrophobicContact CB-CD2 4.19Å; L49-F117 HydrophobicContact CB-CE2 3.79Å; L49-F117 HydrophobicContact CB-CZ 4.42Å; L49-F117 HydrophobicContact CD1-CE1 4.24Å; L49-F117 HydrophobicContact CD1-CE2 4.06Å; L49-F117 HydrophobicContact CD1-CZ 3.91Å; L49-F117 HydrophobicContact CG-CE2 4.5Å; Y52-F117 HydrophobicContact CG-CB 4.45Å; T114-F117 PolarHBondContact O-N 3.42Å; D115-F117 PolarHBondContact O-N 2.58Å; F117-S119 PolarHBondContact O-N 2.97Å; F117-N120 PolarHBondContact O-N 3.23Å; F117-L121 HydrophobicContact CE1-CD2 4.19Å; F117-L121 HydrophobicContact CZ-CD2 4.15Å; F117-L121 WeakPolarHBondContact O-CB 3.42Å; F117-L121 PolarHBondContact O-N 3.06Å
118	I	93.9	Very high	90.6	Very high	77 Å²	77	76.3 Å²	76.3	40%	0.395	40%	0.401	S	S	.	.	H	α-helix	trans	-65.5	-40.1	-178.4	-63.2	-62.2	0	0	0	111	T114 L121 T122	T114-I118 WeakPolarHBondContact O-CG1 3.44Å; T114-I118 PolarHBondContact O-N 3.23Å; I118-L121 PolarHBondContact O-N 2.88Å; I118-T122 VanDerWaalsContact O-CB 3.27Å; I118-T122 WeakPolarHBondContact O-CB 3.35Å; I118-T122 PolarHBondContact O-N 3.07Å; I118-T122 PolarHBondContact O-OG1 3.35Å
119	S	91.9	Very high	90.2	Very high	52 Å²	52	78.5 Å²	78.5	36%	0.364	42%	0.417	S	S	.	.	H	α-helix	trans	-61.5	-47.3	174.4	-69.1	0	0	0	0	111.8	D115 F117 T122 I123	D115-S119 WeakPolarHBondContact O-CB 3.18Å; D115-S119 PolarHBondContact O-N 3.48Å; D115-S119 PolarHBondContact O-OG 2.89Å; F117-S119 PolarHBondContact O-N 2.97Å; S119-T122 PolarHBondContact O-N 3.31Å; S119-I123 WeakPolarHBondContact O-CG1 3.47Å; S119-I123 PolarHBondContact O-N 2.9Å
120	N	90.8	Very high	89.9	Confident	44 Å²	44	78.1 Å²	78.1	24%	0.235	41%	0.414	C	S	.	.	H	α-helix	trans	-62.6	-48.1	177.4	-171.7	20.6	0	0	0	111.4	S48 G116 F117 T122 I123 Q124	S48-N120 WeakPolarHBondContact CB-ND2 3.4Å; S48-N120 PolarHBondContact OG-ND2 3.27Å; G116-N120 WeakPolarHBondContact O-CB 3.27Å; G116-N120 PolarHBondContact O-N 3.26Å; F117-N120 PolarHBondContact O-N 3.23Å; N120-T122 VanDerWaalsContact C-N 3.29Å; N120-T122 PolarHBondContact O-N 2.92Å; N120-I123 PolarHBondContact O-N 3.42Å; N120-Q124 WeakPolarHBondContact O-CG 3.1Å; N120-Q124 PolarHBondContact O-N 3.27Å
121	L	92.6	Very high	89.3	Confident	48 Å²	48	79.5 Å²	79.5	25%	0.251	42%	0.417	S	S	.	.	H	α-helix	trans	-57.4	-42.5	176.7	-179.7	61.3	0	0	0	111.7	L45 F117 I118 Q124 R125 F128	L45-L121 HydrophobicContact CD1-CD1 4.13Å; L45-L121 HydrophobicContact CD2-CB 4.37Å; L45-L121 HydrophobicContact CD2-CD1 4.25Å; F117-L121 HydrophobicContact CE1-CD2 4.19Å; F117-L121 HydrophobicContact CZ-CD2 4.15Å; F117-L121 WeakPolarHBondContact O-CB 3.42Å; F117-L121 PolarHBondContact O-N 3.06Å; I118-L121 PolarHBondContact O-N 2.88Å; L121-Q124 PolarHBondContact O-N 3.41Å; L121-R125 VanDerWaalsContact O-CB 3.22Å; L121-R125 WeakPolarHBondContact O-CB 3.43Å; L121-R125 PolarHBondContact O-N 3.42Å; L121-F128 HydrophobicContact CD1-CE2 4.33Å; L121-F128 HydrophobicContact CD1-CZ 4.23Å
122	T	91.4	Very high	88.7	Confident	91 Å²	91	82.6 Å²	82.6	56%	0.558	43%	0.427	S	S	*	.	H	α-helix	trans	-64.5	-41.8	-179.7	-59.1	0	0	0	0	111.5	I118 S119 N120	I118-T122 VanDerWaalsContact O-CB 3.27Å; I118-T122 WeakPolarHBondContact O-CB 3.35Å; I118-T122 PolarHBondContact O-N 3.07Å; I118-T122 PolarHBondContact O-OG1 3.35Å; S119-T122 PolarHBondContact O-N 3.31Å; N120-T122 VanDerWaalsContact C-N 3.29Å; N120-T122 PolarHBondContact O-N 2.92Å
123	I	89.9	Confident	88.2	Confident	97 Å²	97	78 Å²	78	50%	0.497	40%	0.402	S	S	.	.	H	α-helix	trans	-65.9	-43	175.5	-67.2	165.8	0	0	0	110.8	S119 N120 Q126	S119-I123 WeakPolarHBondContact O-CG1 3.47Å; S119-I123 PolarHBondContact O-N 2.9Å; N120-I123 PolarHBondContact O-N 3.42Å; I123-Q126 WeakPolarHBondContact O-CG 3.28Å; I123-Q126 PolarHBondContact O-NE2 3.46Å
124	Q	88.7	Confident	87.9	Confident	44 Å²	44	82.2 Å²	82.2	21%	0.206	42%	0.419	C	S	.	.	H	α-helix	trans	-73.5	-29.9	-178.6	-62.3	-55.9	-20.2	0	0	112.8	T41 L45 N120 L121 Q126 Y127 F128	T41-Q124 HydrophobicContact CG2-CB 3.87Å; T41-Q124 HydrophobicContact CG2-CG 3.95Å; L45-Q124 HydrophobicContact CD1-CB 4.12Å; L45-Q124 HydrophobicContact CD1-CG 4.48Å; L45-Q124 HydrophobicContact CD2-CB 4.2Å; L45-Q124 HydrophobicContact CD2-CG 3.95Å; L45-Q124 HydrophobicContact CG-CB 4.45Å; L45-Q124 HydrophobicContact CG-CG 4.29Å; N120-Q124 WeakPolarHBondContact O-CG 3.1Å; N120-Q124 PolarHBondContact O-N 3.27Å; L121-Q124 PolarHBondContact O-N 3.41Å; Q124-Q126 PolarHBondContact O-N 2.99Å; Q124-Q126 VanDerWaalsContact O-N 3.12Å; Q124-Y127 PolarHBondContact O-N 3.47Å; Q124-F128 HydrophobicContact CB-CE1 4.11Å; Q124-F128 VanDerWaalsContact O-CD1 3.31Å; Q124-F128 WeakPolarHBondContact O-CD1 3.39Å
125	R	87.8	Confident	87.5	Confident	180 Å²	180	82.4 Å²	82.4	68%	0.679	42%	0.421	S	S	*	.	H	α-helix	trans	-59.3	-25.7	-178.7	-169.9	173.4	-172.3	167.1	3.5	113.5	L121 Y127 F128	L121-R125 VanDerWaalsContact O-CB 3.22Å; L121-R125 WeakPolarHBondContact O-CB 3.43Å; L121-R125 PolarHBondContact O-N 3.42Å; R125-Y127 PolarHBondContact O-N 3.36Å; R125-F128 HydrophobicContact CG-CD2 4.36Å; R125-F128 WeakPolarHBondContact O-CB 3.36Å; R125-F128 PolarHBondContact O-N 3.39Å; R125-F128 VanDerWaalsContact O-N 3.14Å
126	Q	83.9	Confident	87.1	Confident	125 Å²	125	77.9 Å²	77.9	58%	0.584	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-17.9	174.6	80.2	-168.1	-49.2	0	0	113.2	I123 Q124	I123-Q126 WeakPolarHBondContact O-CG 3.28Å; I123-Q126 PolarHBondContact O-NE2 3.46Å; Q124-Q126 PolarHBondContact O-N 2.99Å; Q124-Q126 VanDerWaalsContact O-N 3.12Å
127	Y	82.8	Confident	87	Confident	126 Å²	126	77.4 Å²	77.4	49%	0.494	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	7.4	178.7	-53.1	-64.4	0	0	0	112.6	F28 L38 Q124 R125	F28-Y127 WeakPolarHBondContact CZ-O 3.16Å; L38-Y127 WeakPolarHBondContact CD2-O 3.18Å; Q124-Y127 PolarHBondContact O-N 3.47Å; R125-Y127 PolarHBondContact O-N 3.36Å
128	F	86.2	Confident	86.7	Confident	75 Å²	75	75.9 Å²	75.9	33%	0.329	39%	0.385	S	S	.	.	S	Bend	trans	-76.5	155.3	179.7	-82.5	18.9	0	0	0	111.9	T41 L45 L121 Q124 R125	T41-F128 HydrophobicContact CG2-CE1 4.2Å; L45-F128 HydrophobicContact CD1-CE1 3.79Å; L45-F128 HydrophobicContact CD1-CZ 3.4Å; L45-F128 VanDerWaalsContact CD1-CZ 3.4Å; L121-F128 HydrophobicContact CD1-CE2 4.33Å; L121-F128 HydrophobicContact CD1-CZ 4.23Å; Q124-F128 HydrophobicContact CB-CE1 4.11Å; Q124-F128 VanDerWaalsContact O-CD1 3.31Å; Q124-F128 WeakPolarHBondContact O-CD1 3.39Å; R125-F128 HydrophobicContact CG-CD2 4.36Å; R125-F128 WeakPolarHBondContact O-CB 3.36Å; R125-F128 PolarHBondContact O-N 3.39Å; R125-F128 VanDerWaalsContact O-N 3.14Å
129	P	86.3	Confident	86.3	Confident	65 Å²	65	76.1 Å²	76.1	42%	0.422	38%	0.384	S	S	.	.			trans	-57.7	149.7	166.7	-21.1	32.8	0	0	0	112.1	F28 L38 D133	F28-P129 HydrophobicContact CD2-CB 4.29Å; F28-P129 HydrophobicContact CD2-CG 4.25Å; F28-P129 HydrophobicContact CG-CG 4.49Å; L38-P129 HydrophobicContact CD1-CG 3.64Å; P129-D133 HydrophobicContact CB-CB 3.78Å
130	T	85.6	Confident	86	Confident	66 Å²	66	73.7 Å²	73.7	41%	0.405	37%	0.366	S	S	.	.			trans	-94.2	174.1	176	64.3	0	0	0	0	111.7	E132 D133 Q134	T130-E132 PolarHBondContact O-N 3.49Å; T130-E132 PolarHBondContact OG1-N 3.36Å; T130-D133 PolarHBondContact N-OD2 2.95Å; T130-D133 WeakPolarHBondContact O-CB 3.43Å; T130-D133 PolarHBondContact O-N 2.64Å; T130-D133 VanDerWaalsContact O-N 3.12Å; T130-D133 PolarHBondContact OG1-N 2.85Å; T130-D133 PolarHBondContact OG1-OD2 2.9Å; T130-Q134 PolarHBondContact O-N 3.02Å; T130-Q134 VanDerWaalsContact O-N 3.14Å
131	E	81.3	Confident	85.9	Confident	157 Å²	157	73.4 Å²	73.4	73%	0.734	37%	0.365	S	S	*	.	H	α-helix	trans	-61.1	-32.4	172.5	-171.2	178.8	178.4	0	0	112.2	D133 Q134 T135	E131-D133 VanDerWaalsContact C-N 3.34Å; E131-Q134 PolarHBondContact O-N 3.3Å; E131-T135 WeakPolarHBondContact O-CB 3.31Å; E131-T135 PolarHBondContact O-N 3.39Å; E131-T135 PolarHBondContact O-OG1 3.3Å
132	E	81.3	Confident	85.8	Confident	111 Å²	111	71.7 Å²	71.7	52%	0.519	36%	0.356	S	S	.	.	H	α-helix	trans	-64.3	-39.8	173.7	-173.5	178.8	175.2	0	0	111.2	T130 T135 G136	T130-E132 PolarHBondContact O-N 3.49Å; T130-E132 PolarHBondContact OG1-N 3.36Å; E132-T135 PolarHBondContact O-N 3.03Å; E132-G136 PolarHBondContact O-N 2.84Å
133	D	82.3	Confident	85.6	Confident	7 Å²	7	69.1 Å²	69.1	4%	0.037	34%	0.336	C	S	.	.	H	α-helix	trans	-64.7	-43	176.6	-69.1	-68	0	0	0	112.2	D27 F28 F29 P129 T130 E131 G136 A137	D27-D133 VanDerWaalsContact C-OD1 3.29Å; D27-D133 WeakPolarHBondContact CA-OD1 3.34Å; F28-D133 PolarHBondContact N-OD1 3.01Å; F29-D133 HydrophobicContact CD1-CB 4.19Å; F29-D133 WeakPolarHBondContact CD1-OD1 3.09Å; P129-D133 HydrophobicContact CB-CB 3.78Å; T130-D133 PolarHBondContact N-OD2 2.95Å; T130-D133 WeakPolarHBondContact O-CB 3.43Å; T130-D133 PolarHBondContact O-N 2.64Å; T130-D133 VanDerWaalsContact O-N 3.12Å; T130-D133 PolarHBondContact OG1-N 2.85Å; T130-D133 PolarHBondContact OG1-OD2 2.9Å; E131-D133 VanDerWaalsContact C-N 3.34Å; D133-G136 PolarHBondContact O-N 3.35Å; D133-A137 WeakPolarHBondContact O-CB 3.47Å; D133-A137 PolarHBondContact O-N 2.69Å
134	Q	83.6	Confident	85.6	Confident	123 Å²	123	65.1 Å²	65.1	58%	0.575	32%	0.315	S	S	*	.	H	α-helix	trans	-62.5	-46.6	177	-175.6	178	1.7	0	0	110.8	T130 E131 G136 A137 A138	T130-Q134 PolarHBondContact O-N 3.02Å; T130-Q134 VanDerWaalsContact O-N 3.14Å; E131-Q134 PolarHBondContact O-N 3.3Å; Q134-G136 VanDerWaalsContact C-N 3.34Å; Q134-G136 PolarHBondContact O-N 3.37Å; Q134-A137 PolarHBondContact O-N 2.67Å; Q134-A138 PolarHBondContact O-N 3.35Å
135	T	84.2	Confident	85.8	Confident	44 Å²	44	63.3 Å²	63.3	27%	0.27	31%	0.307	S	S	.	.	H	α-helix	trans	-63.6	-40.9	176.6	-57.9	0	0	0	0	111.4	E131 E132 A138 K139 I180	E131-T135 WeakPolarHBondContact O-CB 3.31Å; E131-T135 PolarHBondContact O-N 3.39Å; E131-T135 PolarHBondContact O-OG1 3.3Å; E132-T135 PolarHBondContact O-N 3.03Å; T135-A138 PolarHBondContact O-N 3.01Å; T135-K139 HydrophobicContact CG2-CD 4.34Å; T135-K139 WeakPolarHBondContact O-CG 3.14Å; T135-K139 PolarHBondContact O-N 3.06Å; T135-I180 HydrophobicContact CG2-CG2 4.16Å
136	G	82.2	Confident	85.9	Confident	13 Å²	13	56.9 Å²	56.9	13%	0.134	29%	0.286	C	S	.	.	H	α-helix	trans	-62.1	-41.2	175.6	0	0	0	0	0	112.8	E132 D133 Q134 A140	E132-G136 PolarHBondContact O-N 2.84Å; D133-G136 PolarHBondContact O-N 3.35Å; Q134-G136 VanDerWaalsContact C-N 3.34Å; Q134-G136 PolarHBondContact O-N 3.37Å; G136-A140 WeakPolarHBondContact O-CB 3.3Å; G136-A140 PolarHBondContact O-N 3.45Å
137	A	85.9	Confident	86.2	Confident	41 Å²	41	51 Å²	51	34%	0.339	26%	0.259	S	S	.	.	H	α-helix	trans	-65.3	-43.1	174.7	0	0	0	0	0	112	F29 D133 Q134 A140 L141	F29-A137 HydrophobicContact CB-CB 4.13Å; D133-A137 WeakPolarHBondContact O-CB 3.47Å; D133-A137 PolarHBondContact O-N 2.69Å; Q134-A137 PolarHBondContact O-N 2.67Å; A137-A140 WeakPolarHBondContact O-CB 3.44Å; A137-A140 PolarHBondContact O-N 3.19Å; A137-L141 PolarHBondContact O-N 3.11Å
138	A	87.9	Confident	86.6	Confident	8 Å²	8	46.3 Å²	46.3	7%	0.066	24%	0.24	C	C	.	.	H	α-helix	trans	-59.3	-50.4	175	0	0	0	0	0	111.8	Q134 T135 A140 L141 L142 L177 I180	Q134-A138 PolarHBondContact O-N 3.35Å; T135-A138 PolarHBondContact O-N 3.01Å; A138-A140 VanDerWaalsContact C-N 3.26Å; A138-A140 PolarHBondContact O-N 3.35Å; A138-L141 WeakPolarHBondContact O-CB 3.34Å; A138-L141 PolarHBondContact O-N 3.45Å; A138-L142 WeakPolarHBondContact O-CG 3.2Å; A138-L142 PolarHBondContact O-N 2.81Å; A138-L177 HydrophobicContact CB-CD2 3.46Å; A138-L177 VanDerWaalsContact CB-CD2 3.46Å; A138-I180 HydrophobicContact CB-CB 4.43Å; A138-I180 HydrophobicContact CB-CD1 3.41Å; A138-I180 VanDerWaalsContact CB-CD1 3.41Å; A138-I180 HydrophobicContact CB-CG1 4.49Å; A138-I180 HydrophobicContact CB-CG2 4.06Å
139	K	84.9	Confident	86.8	Confident	82 Å²	82	49.2 Å²	49.2	36%	0.357	25%	0.253	S	S	.	.	H	α-helix	trans	-60.9	-35.7	176.6	-69.5	-177.5	-175	-154.6	0	112.2	T135 L141 L142 R143 I180 D184	T135-K139 HydrophobicContact CG2-CD 4.34Å; T135-K139 WeakPolarHBondContact O-CG 3.14Å; T135-K139 PolarHBondContact O-N 3.06Å; K139-L141 VanDerWaalsContact C-N 3.33Å; K139-L142 PolarHBondContact O-N 3.17Å; K139-R143 WeakPolarHBondContact O-CB 3.38Å; K139-R143 PolarHBondContact O-N 3.45Å; K139-I180 HydrophobicContact CG-CG2 4.3Å; K139-D184 WeakPolarHBondContact CE-OD2 3.43Å; K139-D184 IonicContact NZ-OD1 2.89Å; K139-D184 PolarHBondContact NZ-OD1 3.08Å; K139-D184 IonicContact NZ-OD2 2.87Å; K139-D184 PolarHBondContact NZ-OD2 3.27Å
140	A	85.9	Confident	87.1	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.3	-38	174.8	0	0	0	0	0	112.4	G136 A137 A138 R143 L144 V436	G136-A140 WeakPolarHBondContact O-CB 3.3Å; G136-A140 PolarHBondContact O-N 3.45Å; A137-A140 WeakPolarHBondContact O-CB 3.44Å; A137-A140 PolarHBondContact O-N 3.19Å; A138-A140 VanDerWaalsContact C-N 3.26Å; A138-A140 PolarHBondContact O-N 3.35Å; A140-R143 PolarHBondContact O-N 3.14Å; A140-L144 WeakPolarHBondContact O-CG 3.29Å; A140-L144 PolarHBondContact O-N 3.29Å; A140-V436 WeakPolarHBondContact CB-O 3.48Å
141	L	89.9	Confident	87.3	Confident	39 Å²	39	48 Å²	48	20%	0.204	24%	0.24	C	C	.	.	H	α-helix	trans	-68.5	-43.5	176.1	-174	157	0	0	0	111.8	A137 A138 K139 R143 L144 Q145 I155 L177 W193	A137-L141 PolarHBondContact O-N 3.11Å; A138-L141 WeakPolarHBondContact O-CB 3.34Å; A138-L141 PolarHBondContact O-N 3.45Å; K139-L141 VanDerWaalsContact C-N 3.33Å; L141-R143 VanDerWaalsContact C-N 3.32Å; L141-R143 PolarHBondContact O-N 2.97Å; L141-L144 WeakPolarHBondContact O-CB 3.32Å; L141-L144 PolarHBondContact O-N 3.19Å; L141-L144 VanDerWaalsContact O-N 3.11Å; L141-Q145 PolarHBondContact O-N 3.32Å; L141-I155 HydrophobicContact CD1-CG2 4Å; L141-I155 HydrophobicContact CD2-CD1 4.07Å; L141-I155 HydrophobicContact CD2-CG2 3.96Å; L141-I155 HydrophobicContact CG-CG2 4.13Å; L141-L177 HydrophobicContact CD1-CD1 4.18Å; L141-L177 HydrophobicContact CD2-CD1 3.7Å; L141-W193 HydrophobicContact CD2-CH2 4.02Å; L141-W193 HydrophobicContact CD2-CZ2 3.45Å; L141-W193 VanDerWaalsContact CD2-CZ2 3.45Å
142	L	89.2	Confident	87.9	Confident	11 Å²	11	40.9 Å²	40.9	6%	0.058	21%	0.208	C	C	.	.	H	α-helix	trans	-59.5	-42.3	173.2	-61.7	-178.9	0	0	0	111.8	A138 K139 L144 Q145 D146 A181 H189	A138-L142 WeakPolarHBondContact O-CG 3.2Å; A138-L142 PolarHBondContact O-N 2.81Å; K139-L142 PolarHBondContact O-N 3.17Å; L142-L144 VanDerWaalsContact C-N 3.32Å; L142-L144 PolarHBondContact O-N 2.89Å; L142-Q145 WeakPolarHBondContact O-CA 3.41Å; L142-Q145 WeakPolarHBondContact O-CB 3.49Å; L142-Q145 PolarHBondContact O-N 3.25Å; L142-Q145 VanDerWaalsContact O-N 3.13Å; L142-D146 PolarHBondContact O-N 3.49Å; L142-A181 HydrophobicContact CD1-CB 3.87Å; L142-H189 HydrophobicContact CD2-CB 4.08Å
143	R	87.8	Confident	88.3	Confident	38 Å²	38	38.1 Å²	38.1	14%	0.143	20%	0.197	C	C	.	.	H	α-helix	trans	-61.6	-38.9	174.2	173.2	177.2	55.3	-148.6	-12.4	112.9	K139 A140 L141 Q145 D146 T147 G437 P518	K139-R143 WeakPolarHBondContact O-CB 3.38Å; K139-R143 PolarHBondContact O-N 3.45Å; A140-R143 PolarHBondContact O-N 3.14Å; L141-R143 VanDerWaalsContact C-N 3.32Å; L141-R143 PolarHBondContact O-N 2.97Å; R143-Q145 VanDerWaalsContact C-N 3.29Å; R143-D146 PolarHBondContact O-N 3.31Å; R143-T147 WeakPolarHBondContact O-CB 3.45Å; R143-T147 PolarHBondContact O-N 3.41Å; R143-T147 PolarHBondContact O-OG1 3.34Å; R143-G437 PolarHBondContact NE-O 3.42Å; R143-G437 PolarHBondContact NH2-O 3.02Å; R143-P518 HydrophobicContact CG-CG 4.43Å
144	L	90.7	Very high	88.7	Confident	13 Å²	13	39.3 Å²	39.3	7%	0.068	20%	0.204	C	C	.	.	H	α-helix	trans	-63.9	-40.5	175.2	-73.9	172.9	0	0	0	110.8	A140 L141 L142 T147 Y148 V436 P518 V519 L520	A140-L144 WeakPolarHBondContact O-CG 3.29Å; A140-L144 PolarHBondContact O-N 3.29Å; L141-L144 WeakPolarHBondContact O-CB 3.32Å; L141-L144 PolarHBondContact O-N 3.19Å; L141-L144 VanDerWaalsContact O-N 3.11Å; L142-L144 VanDerWaalsContact C-N 3.32Å; L142-L144 PolarHBondContact O-N 2.89Å; L144-T147 PolarHBondContact O-N 2.93Å; L144-Y148 HydrophobicContact CD2-CD2 3.88Å; L144-Y148 HydrophobicContact CD2-CE2 3.65Å; L144-Y148 WeakPolarHBondContact O-CB 3.1Å; L144-Y148 WeakPolarHBondContact O-CD2 3.24Å; L144-Y148 PolarHBondContact O-N 3.01Å; L144-V436 HydrophobicContact CD1-CG1 4.27Å; L144-P518 HydrophobicContact CD2-CB 3.6Å; L144-V519 WeakPolarHBondContact CD2-O 3.46Å; L144-L520 HydrophobicContact CB-CD1 4.29Å; L144-L520 HydrophobicContact CD1-CD1 4.35Å; L144-L520 HydrophobicContact CD2-CB 4.36Å; L144-L520 HydrophobicContact CD2-CD1 4.05Å; L144-L520 HydrophobicContact CG-CD1 4.48Å
145	Q	91.6	Very high	89	Confident	5 Å²	5	34.2 Å²	34.2	2%	0.023	18%	0.181	C	C	.	.	H	α-helix	trans	-56.2	-51.6	175.1	-166.1	-179.9	-2.4	0	0	111.5	L141 L142 R143 K149 L150 I155 H189	L141-Q145 PolarHBondContact O-N 3.32Å; L142-Q145 WeakPolarHBondContact O-CA 3.41Å; L142-Q145 WeakPolarHBondContact O-CB 3.49Å; L142-Q145 PolarHBondContact O-N 3.25Å; L142-Q145 VanDerWaalsContact O-N 3.13Å; R143-Q145 VanDerWaalsContact C-N 3.29Å; Q145-K149 CarbonylContact O-C 3.59Å; Q145-K149 VanDerWaalsContact O-CA 3.23Å; Q145-K149 WeakPolarHBondContact O-CA 3.21Å; Q145-K149 PolarHBondContact O-N 3.11Å; Q145-L150 HydrophobicContact CG-CB 4.42Å; Q145-L150 WeakPolarHBondContact CG-O 3.31Å; Q145-L150 PolarHBondContact O-N 2.87Å; Q145-I155 HydrophobicContact CB-CD1 3.81Å; Q145-I155 HydrophobicContact CG-CD1 3.83Å; Q145-H189 PolarHBondContact OE1-CD2 3.23Å; Q145-H189 VanDerWaalsContact OE1-CD2 3.28Å
146	D	89.4	Confident	89.4	Confident	45 Å²	45	32.1 Å²	32.1	24%	0.241	17%	0.168	C	C	.	.	H	α-helix	trans	-59	-55.6	175.6	-89.7	-19.1	0	0	0	112.5	L142 R143 Y148 K149 H189 R300	L142-D146 PolarHBondContact O-N 3.49Å; R143-D146 PolarHBondContact O-N 3.31Å; D146-Y148 VanDerWaalsContact C-N 3.3Å; D146-Y148 PolarHBondContact O-N 3.27Å; D146-K149 PolarHBondContact O-N 3.36Å; D146-H189 IonicContact OD1-CE1 3.03Å; D146-H189 PolarHBondContact OD1-CE1 2.93Å; D146-H189 IonicContact OD1-NE2 3.4Å; D146-H189 PolarHBondContact OD1-NE2 3.2Å; D146-H189 VanDerWaalsContact OD1-NE2 3.17Å; D146-H189 IonicContact OD2-CE1 2.84Å; D146-H189 PolarHBondContact OD2-CE1 3.07Å; D146-R300 IonicContact OD2-NH2 3.78Å; D146-R300 PolarHBondContact OD2-NH2 2.98Å
147	T	90.3	Very high	89.7	Confident	3 Å²	3	32.9 Å²	32.9	2%	0.018	17%	0.17	C	C	.	.	H	α-helix	trans	-62.5	-42.7	-170	-57.1	0	0	0	0	110.8	R143 L144 E304 C307 R308 P518	R143-T147 WeakPolarHBondContact O-CB 3.45Å; R143-T147 PolarHBondContact O-N 3.41Å; R143-T147 PolarHBondContact O-OG1 3.34Å; L144-T147 PolarHBondContact O-N 2.93Å; T147-E304 HydrophobicContact CG2-CG 4.39Å; T147-C307 HydrophobicContact CG2-CB 3.69Å; T147-R308 WeakPolarHBondContact O-CD 3.35Å; T147-R308 VanDerWaalsContact O-CG 3.29Å; T147-R308 WeakPolarHBondContact O-CG 2.99Å; T147-R308 PolarHBondContact O-NH1 3.25Å; T147-P518 HydrophobicContact CG2-CG 4.03Å
148	Y	91.4	Very high	89.7	Confident	26 Å²	26	31.6 Å²	31.6	10%	0.102	16%	0.161	C	C	.	.	H	α-helix	trans	-98.5	3.2	-175.8	-64.9	-74	0	0	0	113.9	L144 D146 L150 C307 R308 G477 P518 L520	L144-Y148 HydrophobicContact CD2-CD2 3.88Å; L144-Y148 HydrophobicContact CD2-CE2 3.65Å; L144-Y148 WeakPolarHBondContact O-CB 3.1Å; L144-Y148 WeakPolarHBondContact O-CD2 3.24Å; L144-Y148 PolarHBondContact O-N 3.01Å; D146-Y148 VanDerWaalsContact C-N 3.3Å; D146-Y148 PolarHBondContact O-N 3.27Å; Y148-L150 VanDerWaalsContact C-N 3.29Å; Y148-L150 PolarHBondContact O-N 3.11Å; Y148-C307 HydrophobicContact CE1-CB 4.28Å; Y148-C307 WeakPolarHBondContact CE1-O 3.31Å; Y148-R308 HydrophobicContact CD1-CG 4.15Å; Y148-G477 WeakPolarHBondContact OH-CA 3.14Å; Y148-P518 HydrophobicContact CE2-CB 4.29Å; Y148-P518 PolarHBondContact OH-O 2.99Å; Y148-L520 HydrophobicContact CD1-CD2 4.32Å; Y148-L520 HydrophobicContact CD2-CB 4.14Å; Y148-L520 HydrophobicContact CD2-CD1 3.95Å; Y148-L520 HydrophobicContact CD2-CD2 4.23Å; Y148-L520 HydrophobicContact CD2-CG 4.32Å; Y148-L520 HydrophobicContact CE2-CB 3.82Å; Y148-L520 HydrophobicContact CE2-CD1 4.42Å; Y148-L520 HydrophobicContact CE2-CG 4.49Å; Y148-L520 HydrophobicContact CG-CD1 4.48Å; Y148-L520 HydrophobicContact CG-CD2 4.09Å
149	K	91.6	Very high	89.5	Confident	137 Å²	137	35 Å²	35	60%	0.596	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	48.2	-176.9	-63.2	177.8	175.8	168	0	112.3	Q145 D146 R308 E310	Q145-K149 CarbonylContact O-C 3.59Å; Q145-K149 VanDerWaalsContact O-CA 3.23Å; Q145-K149 WeakPolarHBondContact O-CA 3.21Å; Q145-K149 PolarHBondContact O-N 3.11Å; D146-K149 PolarHBondContact O-N 3.36Å; K149-R308 VanDerWaalsContact CE-CZ 3.46Å; K149-E310 IonicContact NZ-OE2 2.81Å
150	L	91.1	Very high	89.5	Confident	25 Å²	25	33 Å²	33	13%	0.131	17%	0.171	C	C	.	.			trans	-83.9	139.4	179.4	-54	169.1	0	0	0	109.1	Q145 Y148 I155 L160 L520	Q145-L150 HydrophobicContact CG-CB 4.42Å; Q145-L150 WeakPolarHBondContact CG-O 3.31Å; Q145-L150 PolarHBondContact O-N 2.87Å; Y148-L150 VanDerWaalsContact C-N 3.29Å; Y148-L150 PolarHBondContact O-N 3.11Å; L150-I155 HydrophobicContact CB-CD1 3.94Å; L150-I155 HydrophobicContact CB-CG1 3.98Å; L150-I155 HydrophobicContact CD1-CD1 4.19Å; L150-I155 HydrophobicContact CD1-CG1 4.18Å; L150-L160 HydrophobicContact CD1-CD2 3.8Å; L150-L160 HydrophobicContact CD2-CD2 4.35Å; L150-L520 HydrophobicContact CD1-CD1 3.69Å
151	D	91.6	Very high	89	Confident	79 Å²	79	36.8 Å²	36.8	42%	0.422	20%	0.195	S	C	.	.			trans	-79.8	151.3	168.5	63	-78.1	0	0	0	110.8	N153 T154 I155	D151-N153 PolarHBondContact O-N 3.36Å; D151-N153 WeakPolarHBondContact OD2-CA 3.4Å; D151-N153 VanDerWaalsContact OD2-CB 3.31Å; D151-N153 WeakPolarHBondContact OD2-CB 3.1Å; D151-N153 PolarHBondContact OD2-N 3.44Å; D151-T154 PolarHBondContact O-N 3.22Å; D151-T154 VanDerWaalsContact O-N 3.15Å; D151-T154 WeakPolarHBondContact OD1-CB 3.37Å; D151-T154 PolarHBondContact OD1-OG1 3.39Å; D151-T154 PolarHBondContact OD2-N 2.9Å; D151-T154 PolarHBondContact OD2-OG1 3.26Å; D151-T154 VanDerWaalsContact OD2-OG1 3.13Å; D151-I155 PolarHBondContact O-N 3.05Å
152	A	92.2	Very high	88	Confident	8 Å²	8	37.6 Å²	37.6	7%	0.066	21%	0.214	C	C	.	.	H	α-helix	trans	-58.1	-34.3	-179.6	0	0	0	0	0	112.1	I155 S156 L192 W193 Q196	A152-I155 PolarHBondContact O-N 3.46Å; A152-S156 WeakPolarHBondContact O-CB 3.3Å; A152-S156 PolarHBondContact O-N 3.43Å; A152-S156 PolarHBondContact O-OG 2.89Å; A152-L192 HydrophobicContact CB-CB 4.41Å; A152-W193 HydrophobicContact CB-CD2 4.28Å; A152-W193 HydrophobicContact CB-CE3 4.29Å; A152-W193 HydrophobicContact CB-CH2 4.47Å; A152-W193 HydrophobicContact CB-CZ2 4.42Å; A152-W193 HydrophobicContact CB-CZ3 4.4Å; A152-Q196 HydrophobicContact CB-CB 4.01Å; A152-Q196 HydrophobicContact CB-CG 4.32Å
153	N	91.2	Very high	87.4	Confident	54 Å²	54	39.7 Å²	39.7	29%	0.289	23%	0.226	S	C	.	.	H	α-helix	trans	-68	-39	178.5	178.9	93.2	0	0	0	112.4	D151 I155 S156 T157 K199	D151-N153 PolarHBondContact O-N 3.36Å; D151-N153 WeakPolarHBondContact OD2-CA 3.4Å; D151-N153 VanDerWaalsContact OD2-CB 3.31Å; D151-N153 WeakPolarHBondContact OD2-CB 3.1Å; D151-N153 PolarHBondContact OD2-N 3.44Å; N153-I155 VanDerWaalsContact C-N 3.32Å; N153-I155 PolarHBondContact O-N 3Å; N153-S156 WeakPolarHBondContact CA-OG 3.25Å; N153-S156 PolarHBondContact O-N 3.32Å; N153-S156 PolarHBondContact O-OG 2.9Å; N153-S156 VanDerWaalsContact O-OG 3.13Å; N153-T157 WeakPolarHBondContact O-CB 3.39Å; N153-T157 VanDerWaalsContact O-CG2 3.28Å; N153-T157 WeakPolarHBondContact O-CG2 3.43Å; N153-T157 PolarHBondContact O-N 2.84Å; N153-T157 PolarHBondContact O-OG1 3.22Å; N153-K199 PolarHBondContact OD1-NZ 3Å
154	T	90.4	Very high	86	Confident	31 Å²	31	47.1 Å²	47.1	19%	0.19	26%	0.26	C	S	.	.	H	α-helix	trans	-62.7	-41	175.1	-72.7	0	0	0	0	111.3	D151 G158 N159 L160	D151-T154 PolarHBondContact O-N 3.22Å; D151-T154 VanDerWaalsContact O-N 3.15Å; D151-T154 WeakPolarHBondContact OD1-CB 3.37Å; D151-T154 PolarHBondContact OD1-OG1 3.39Å; D151-T154 PolarHBondContact OD2-N 2.9Å; D151-T154 PolarHBondContact OD2-OG1 3.26Å; D151-T154 VanDerWaalsContact OD2-OG1 3.13Å; T154-G158 PolarHBondContact O-N 2.7Å; T154-N159 WeakPolarHBondContact CG2-O 3.44Å; T154-N159 PolarHBondContact O-N 3.46Å; T154-L160 HydrophobicContact CG2-CD2 4.26Å
155	I	90.6	Very high	84.6	Confident	16 Å²	16	54.4 Å²	54.4	8%	0.082	29%	0.293	C	S	.	.	H	α-helix	trans	-70.2	-50	176.3	-58.3	174.7	0	0	0	110.4	L141 Q145 L150 D151 A152 N153 T157 G158 L160 M169 W193	L141-I155 HydrophobicContact CD1-CG2 4Å; L141-I155 HydrophobicContact CD2-CD1 4.07Å; L141-I155 HydrophobicContact CD2-CG2 3.96Å; L141-I155 HydrophobicContact CG-CG2 4.13Å; Q145-I155 HydrophobicContact CB-CD1 3.81Å; Q145-I155 HydrophobicContact CG-CD1 3.83Å; L150-I155 HydrophobicContact CB-CD1 3.94Å; L150-I155 HydrophobicContact CB-CG1 3.98Å; L150-I155 HydrophobicContact CD1-CD1 4.19Å; L150-I155 HydrophobicContact CD1-CG1 4.18Å; D151-I155 PolarHBondContact O-N 3.05Å; A152-I155 PolarHBondContact O-N 3.46Å; N153-I155 VanDerWaalsContact C-N 3.32Å; N153-I155 PolarHBondContact O-N 3Å; I155-T157 VanDerWaalsContact C-N 3.28Å; I155-T157 PolarHBondContact O-N 3.48Å; I155-G158 PolarHBondContact O-N 2.97Å; I155-L160 HydrophobicContact CG1-CD2 4.32Å; I155-M169 HydrophobicContact CG2-SD 4.16Å; I155-W193 HydrophobicContact CB-CH2 3.83Å; I155-W193 HydrophobicContact CB-CZ2 4.26Å; I155-W193 HydrophobicContact CD1-CH2 4.47Å; I155-W193 HydrophobicContact CD1-CZ2 4.03Å; I155-W193 HydrophobicContact CG2-CH2 3.75Å; I155-W193 HydrophobicContact CG2-CZ2 4.24Å
156	S	91.6	Very high	83.5	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.007	32%	0.321	C	S	.	.	H	α-helix	trans	-62.4	-33.9	-176.3	69.7	0	0	0	0	113	A152 N153 G158 Q168 M169 Q196	A152-S156 WeakPolarHBondContact O-CB 3.3Å; A152-S156 PolarHBondContact O-N 3.43Å; A152-S156 PolarHBondContact O-OG 2.89Å; N153-S156 WeakPolarHBondContact CA-OG 3.25Å; N153-S156 PolarHBondContact O-N 3.32Å; N153-S156 PolarHBondContact O-OG 2.9Å; N153-S156 VanDerWaalsContact O-OG 3.13Å; S156-G158 VanDerWaalsContact C-N 3.29Å; S156-G158 PolarHBondContact O-N 3.49Å; S156-Q168 CarbonylContact O-C 3.46Å; S156-Q168 VanDerWaalsContact O-CA 3.3Å; S156-Q168 WeakPolarHBondContact O-CA 3.37Å; S156-M169 PolarHBondContact O-N 2.99Å; S156-Q196 PolarHBondContact OG-NE2 3.31Å
157	T	88.8	Confident	82.9	Confident	29 Å²	29	63.6 Å²	63.6	18%	0.178	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-3.6	177.3	58.9	0	0	0	0	113.7	N153 I155 N159	N153-T157 WeakPolarHBondContact O-CB 3.39Å; N153-T157 VanDerWaalsContact O-CG2 3.28Å; N153-T157 WeakPolarHBondContact O-CG2 3.43Å; N153-T157 PolarHBondContact O-N 2.84Å; N153-T157 PolarHBondContact O-OG1 3.22Å; I155-T157 VanDerWaalsContact C-N 3.28Å; I155-T157 PolarHBondContact O-N 3.48Å; T157-N159 WeakPolarHBondContact CB-ND2 3.4Å; T157-N159 PolarHBondContact O-N 3.05Å; T157-N159 PolarHBondContact OG1-ND2 2.96Å
158	G	84.9	Confident	82.8	Confident	13 Å²	13	70 Å²	70	13%	0.134	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.1	16.2	-176.9	0	0	0	0	0	114.1	T154 I155 S156 L160	T154-G158 PolarHBondContact O-N 2.7Å; I155-G158 PolarHBondContact O-N 2.97Å; S156-G158 VanDerWaalsContact C-N 3.29Å; S156-G158 PolarHBondContact O-N 3.49Å; G158-L160 PolarHBondContact O-N 3.47Å
159	N	85	Confident	82.9	Confident	81 Å²	81	70.3 Å²	70.3	43%	0.433	38%	0.376	S	S	.	.			trans	-82.6	43.8	-177.4	-72.1	-44.2	0	0	0	112.3	T154 T157 K166	T154-N159 WeakPolarHBondContact CG2-O 3.44Å; T154-N159 PolarHBondContact O-N 3.46Å; T157-N159 WeakPolarHBondContact CB-ND2 3.4Å; T157-N159 PolarHBondContact O-N 3.05Å; T157-N159 PolarHBondContact OG1-ND2 2.96Å; N159-K166 PolarHBondContact OD1-NZ 2.89Å
160	L	83.4	Confident	83.1	Confident	40 Å²	40	66.2 Å²	66.2	21%	0.209	36%	0.363	C	S	.	.			trans	-74	146.6	177.9	-67.4	175.5	0	0	0	111.7	L150 T154 I155 G158 G162 V163 L520 V521	L150-L160 HydrophobicContact CD1-CD2 3.8Å; L150-L160 HydrophobicContact CD2-CD2 4.35Å; T154-L160 HydrophobicContact CG2-CD2 4.26Å; I155-L160 HydrophobicContact CG1-CD2 4.32Å; G158-L160 PolarHBondContact O-N 3.47Å; L160-G162 PolarHBondContact O-N 3.02Å; L160-V163 HydrophobicContact CB-CG2 3.79Å; L160-V163 PolarHBondContact O-N 3.5Å; L160-L520 HydrophobicContact CD2-CD1 4.39Å; L160-V521 HydrophobicContact CB-CG2 4.34Å
161	P	75.5	Confident	83.3	Confident	78 Å²	78	65 Å²	65	51%	0.506	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	128	177.3	-24.8	33.4	0	0	0	112.5
162	G	70.3	Confident	83.6	Confident	57 Å²	57	63.7 Å²	63.7	59%	0.588	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	84	2.1	174.1	0	0	0	0	0	116	L160 T475	L160-G162 PolarHBondContact O-N 3.02Å; G162-T475 WeakPolarHBondContact O-CG2 3.28Å
163	V	75.9	Confident	83.7	Confident	54 Å²	54	66.9 Å²	66.9	33%	0.327	36%	0.364	S	S	.	.			trans	-93.8	135.7	179.1	-166.1	0	0	0	0	111.5	L160 H165 V521	L160-V163 HydrophobicContact CB-CG2 3.79Å; L160-V163 PolarHBondContact O-N 3.5Å; V163-H165 WeakPolarHBondContact CG1-O 3.44Å; V163-V521 HydrophobicContact CG2-CB 4.26Å; V163-V521 HydrophobicContact CG2-CG1 3.7Å; V163-V521 HydrophobicContact CG2-CG2 3.47Å; V163-V521 VanDerWaalsContact CG2-CG2 3.47Å
164	K	58.4	Low	84	Confident	194 Å²	194	64.3 Å²	64.3	84%	0.843	35%	0.35	S	S	*	.			trans	-100.9	-23.8	173.4	-66.2	-176.5	-179.3	178.9	0	113.9
165	H	61.2	Low	84.3	Confident	166 Å²	166	63.6 Å²	63.6	77%	0.769	34%	0.344	S	S	*	.			trans	-100.9	126.5	-177.9	-66	-75.7	0	0	0	110.4	V163	V163-H165 WeakPolarHBondContact CG1-O 3.44Å
166	K	69.7	Low	84.5	Confident	141 Å²	141	66.2 Å²	66.2	61%	0.613	36%	0.356	S	S	*	.			trans	-110.5	115.9	-174.9	-58.8	-172.2	-178.5	-157.4	0	109.1	N159	N159-K166 PolarHBondContact OD1-NZ 2.89Å
167	S	75.6	Confident	84.7	Confident	102 Å²	102	66.8 Å²	66.8	71%	0.713	36%	0.359	S	S	*	.			trans	-105.6	133.6	155.7	-166	0	0	0	0	106.5
168	Q	89	Confident	85	Confident	138 Å²	138	65.4 Å²	65.4	65%	0.645	35%	0.35	S	S	*	.			trans	-94	143.2	173.4	-66.7	179.6	-21.9	0	0	108.4	S156	S156-Q168 CarbonylContact O-C 3.46Å; S156-Q168 VanDerWaalsContact O-CA 3.3Å; S156-Q168 WeakPolarHBondContact O-CA 3.37Å
169	M	93.4	Very high	85.5	Confident	33 Å²	33	67.8 Å²	67.8	16%	0.163	36%	0.357	C	S	.	.			trans	-83.7	135.4	172.8	-60.7	-172.7	69.3	0	0	109	I155 S156 D173 L177 W193 Q200	I155-M169 HydrophobicContact CG2-SD 4.16Å; S156-M169 PolarHBondContact O-N 2.99Å; M169-D173 WeakPolarHBondContact CA-OD2 3.2Å; M169-D173 HydrophobicContact CB-CB 3.89Å; M169-D173 HydrophobicContact CE-CB 3.63Å; M169-L177 HydrophobicContact CE-CD1 3.43Å; M169-L177 VanDerWaalsContact CE-CD1 3.43Å; M169-L177 HydrophobicContact CE-CG 4.12Å; M169-L177 HydrophobicContact SD-CD1 4.28Å; M169-W193 HydrophobicContact CE-CZ3 4.32Å; M169-W193 HydrophobicContact SD-CH2 3.94Å; M169-W193 HydrophobicContact SD-CZ3 3.97Å; M169-Q200 PolarHBondContact O-NE2 3.28Å
170	T	95	Very high	85.9	Confident	51 Å²	51	65 Å²	65	31%	0.313	34%	0.342	S	S	.	.			trans	-78.3	174.7	176.4	75.8	0	0	0	0	111.7	E172 D173 C174 Q200 E205	T170-E172 VanDerWaalsContact C-N 3.27Å; T170-E172 WeakPolarHBondContact CB-OE2 3.45Å; T170-E172 PolarHBondContact O-N 3.49Å; T170-E172 PolarHBondContact OG1-N 3.39Å; T170-E172 PolarHBondContact OG1-OE2 3.28Å; T170-D173 PolarHBondContact N-OD2 3.18Å; T170-D173 PolarHBondContact O-N 3.21Å; T170-D173 PolarHBondContact OG1-N 3.02Å; T170-C174 PolarHBondContact O-N 2.94Å; T170-C174 VanDerWaalsContact O-N 3.07Å; T170-C174 PolarHBondContact O-SG 3.03Å; T170-C174 VanDerWaalsContact O-SG 3.39Å; T170-Q200 PolarHBondContact O-OE1 3.25Å; T170-E205 WeakPolarHBondContact CA-OE1 3.5Å; T170-E205 WeakPolarHBondContact CB-OE1 3.44Å
171	V	96.7	Very high	86.2	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-53.3	-45.3	168.2	173.9	0	0	0	0	111.3	D173 C174 Y175 A197 Q200 L201 E205 S207 I209	V171-D173 VanDerWaalsContact C-N 3.35Å; V171-D173 PolarHBondContact O-N 3.41Å; V171-C174 PolarHBondContact O-N 2.98Å; V171-Y175 VanDerWaalsContact O-CB 3.29Å; V171-Y175 WeakPolarHBondContact O-CB 3.41Å; V171-Y175 PolarHBondContact O-N 3.44Å; V171-A197 HydrophobicContact CG1-CB 4.36Å; V171-Q200 HydrophobicContact CG2-CB 3.56Å; V171-L201 HydrophobicContact CB-CD2 4.48Å; V171-L201 HydrophobicContact CB-CG 4.44Å; V171-L201 HydrophobicContact CG1-CD1 3.87Å; V171-L201 HydrophobicContact CG1-CD2 3.86Å; V171-L201 HydrophobicContact CG1-CG 3.65Å; V171-L201 HydrophobicContact CG2-CD2 3.96Å; V171-L201 HydrophobicContact CG2-CG 3.86Å; V171-E205 HydrophobicContact CG2-CB 4.03Å; V171-E205 HydrophobicContact CG2-CG 4.09Å; V171-E205 PolarHBondContact N-OE1 3.06Å; V171-S207 WeakPolarHBondContact CG1-OG 3.45Å; V171-I209 HydrophobicContact CG1-CB 4.31Å
172	E	96	Very high	87	Confident	51 Å²	51	62.7 Å²	62.7	24%	0.238	32%	0.321	C	S	.	.	H	α-helix	trans	-59.8	-45.2	178.5	-65.9	75.7	-166.9	0	0	111.3	T170 C174 Y175 E176 S207 T208 I209	T170-E172 VanDerWaalsContact C-N 3.27Å; T170-E172 WeakPolarHBondContact CB-OE2 3.45Å; T170-E172 PolarHBondContact O-N 3.49Å; T170-E172 PolarHBondContact OG1-N 3.39Å; T170-E172 PolarHBondContact OG1-OE2 3.28Å; E172-C174 PolarHBondContact O-N 3.14Å; E172-Y175 PolarHBondContact O-N 2.69Å; E172-E176 WeakPolarHBondContact O-CB 3.32Å; E172-E176 WeakPolarHBondContact O-CG 3.44Å; E172-E176 PolarHBondContact O-N 3.06Å; E172-S207 VanDerWaalsContact OE1-CA 3.26Å; E172-S207 WeakPolarHBondContact OE1-CA 3.23Å; E172-S207 VanDerWaalsContact OE1-CB 3.31Å; E172-S207 WeakPolarHBondContact OE1-CB 3.07Å; E172-S207 PolarHBondContact OE1-OG 3.26Å; E172-T208 PolarHBondContact OE1-N 3.35Å; E172-T208 PolarHBondContact OE1-OG1 3.47Å; E172-I209 HydrophobicContact CG-CG1 4.11Å
173	D	95.4	Very high	87.9	Confident	74 Å²	74	64.2 Å²	64.2	40%	0.396	32%	0.322	S	S	.	.	H	α-helix	trans	-61.9	-44.6	179.5	-66.1	-35.5	0	0	0	111.5	M169 T170 V171 L177	M169-D173 WeakPolarHBondContact CA-OD2 3.2Å; M169-D173 HydrophobicContact CB-CB 3.89Å; M169-D173 HydrophobicContact CE-CB 3.63Å; T170-D173 PolarHBondContact N-OD2 3.18Å; T170-D173 PolarHBondContact O-N 3.21Å; T170-D173 PolarHBondContact OG1-N 3.02Å; V171-D173 VanDerWaalsContact C-N 3.35Å; V171-D173 PolarHBondContact O-N 3.41Å; D173-L177 PolarHBondContact O-N 3.37Å
174	C	96.8	Very high	88.3	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-65.3	-41.1	177.4	-65.7	0	0	0	0	111.6	T170 V171 E172 G178 W193 A197 Q200	T170-C174 PolarHBondContact O-N 2.94Å; T170-C174 VanDerWaalsContact O-N 3.07Å; T170-C174 PolarHBondContact O-SG 3.03Å; T170-C174 VanDerWaalsContact O-SG 3.39Å; V171-C174 PolarHBondContact O-N 2.98Å; E172-C174 PolarHBondContact O-N 3.14Å; C174-G178 PolarHBondContact O-N 3.46Å; C174-W193 HydrophobicContact CB-CE3 4.05Å; C174-A197 HydrophobicContact CB-CB 3.8Å; C174-Q200 PolarHBondContact SG-OE1 2.9Å; C174-Q200 VanDerWaalsContact SG-OE1 3.41Å
175	Y	97.1	Very high	89.8	Confident	16 Å²	16	59.1 Å²	59.1	6%	0.063	31%	0.31	C	S	.	.	H	α-helix	trans	-63.8	-45.1	177.5	175.6	-106.9	0	0	0	112	V171 E172 G178 K179 M194 I209 T213 V214 Y217	V171-Y175 VanDerWaalsContact O-CB 3.29Å; V171-Y175 WeakPolarHBondContact O-CB 3.41Å; V171-Y175 PolarHBondContact O-N 3.44Å; E172-Y175 PolarHBondContact O-N 2.69Å; Y175-G178 PolarHBondContact O-N 3.04Å; Y175-K179 HydrophobicContact CD1-CD 3.85Å; Y175-K179 HydrophobicContact CE1-CD 3.22Å; Y175-K179 HydrophobicContact CE1-CG 4.22Å; Y175-K179 HydrophobicContact CE2-CD 4.14Å; Y175-K179 HydrophobicContact CE2-CG 4.35Å; Y175-K179 PolarHBondContact O-N 3.46Å; Y175-M194 HydrophobicContact CD2-CE 3.67Å; Y175-M194 HydrophobicContact CD2-SD 3.59Å; Y175-M194 VanDerWaalsContact CD2-SD 3.59Å; Y175-M194 HydrophobicContact CE2-CE 3.76Å; Y175-M194 HydrophobicContact CE2-SD 4.01Å; Y175-I209 HydrophobicContact CD1-CD1 3.83Å; Y175-I209 HydrophobicContact CD1-CG1 4.01Å; Y175-I209 HydrophobicContact CD1-CG2 4.23Å; Y175-I209 HydrophobicContact CD2-CG2 4.05Å; Y175-I209 HydrophobicContact CE1-CD1 3.88Å; Y175-I209 HydrophobicContact CE1-CG2 4.44Å; Y175-I209 HydrophobicContact CE2-CG2 4.3Å; Y175-I209 HydrophobicContact CG-CG1 4.36Å; Y175-I209 HydrophobicContact CG-CG2 4.02Å; Y175-T213 HydrophobicContact CE2-CG2 3.82Å; Y175-T213 WeakPolarHBondContact OH-CG2 3.38Å; Y175-V214 HydrophobicContact CD2-CG2 4.01Å; Y175-V214 HydrophobicContact CE2-CG2 4.47Å; Y175-Y217 HydrophobicContact CE2-CD2 4.07Å; Y175-Y217 HydrophobicContact CE2-CE2 4.29Å; Y175-Y217 WeakPolarHBondContact OH-CE2 3.45Å
176	E	95.3	Very high	91.2	Very high	72 Å²	72	53.7 Å²	53.7	34%	0.336	29%	0.287	S	S	.	.	H	α-helix	trans	-65.6	-41.1	178	-72.6	-58.7	158.5	0	0	112.1	E172 G178 K179 I180	E172-E176 WeakPolarHBondContact O-CB 3.32Å; E172-E176 WeakPolarHBondContact O-CG 3.44Å; E172-E176 PolarHBondContact O-N 3.06Å; E176-G178 VanDerWaalsContact C-N 3.33Å; E176-G178 PolarHBondContact O-N 3.12Å; E176-K179 VanDerWaalsContact CD-NZ 3.29Å; E176-K179 PolarHBondContact O-N 3.02Å; E176-K179 IonicContact OE1-NZ 3.26Å; E176-K179 PolarHBondContact OE1-NZ 3.4Å; E176-K179 IonicContact OE2-NZ 2.69Å; E176-K179 PolarHBondContact OE2-NZ 3.15Å; E176-I180 WeakPolarHBondContact O-CG1 3.38Å; E176-I180 PolarHBondContact O-N 3.07Å
177	L	94.8	Very high	92.2	Very high	13 Å²	13	49.4 Å²	49.4	7%	0.068	27%	0.268	C	S	.	.	H	α-helix	trans	-58.3	-44.9	171.3	-79.2	-173.6	0	0	0	112.2	A138 L141 M169 D173 K179 I180 A181 W193	A138-L177 HydrophobicContact CB-CD2 3.46Å; A138-L177 VanDerWaalsContact CB-CD2 3.46Å; L141-L177 HydrophobicContact CD1-CD1 4.18Å; L141-L177 HydrophobicContact CD2-CD1 3.7Å; M169-L177 HydrophobicContact CE-CD1 3.43Å; M169-L177 VanDerWaalsContact CE-CD1 3.43Å; M169-L177 HydrophobicContact CE-CG 4.12Å; M169-L177 HydrophobicContact SD-CD1 4.28Å; D173-L177 PolarHBondContact O-N 3.37Å; L177-K179 VanDerWaalsContact C-N 3.32Å; L177-K179 PolarHBondContact O-N 3.03Å; L177-I180 PolarHBondContact O-N 3.41Å; L177-A181 PolarHBondContact O-N 2.99Å; L177-W193 HydrophobicContact CB-CD2 4.02Å; L177-W193 HydrophobicContact CB-CE3 4.33Å; L177-W193 HydrophobicContact CB-CG 4.09Å; L177-W193 HydrophobicContact CD1-CD2 3.85Å; L177-W193 HydrophobicContact CD1-CE3 3.83Å; L177-W193 HydrophobicContact CD1-CH2 3.58Å; L177-W193 HydrophobicContact CD1-CZ2 3.63Å; L177-W193 HydrophobicContact CD1-CZ3 3.69Å
178	G	95.9	Very high	93	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62.5	-37.4	177.4	0	0	0	0	0	112.9	C174 Y175 E176 Y182 T190	C174-G178 PolarHBondContact O-N 3.46Å; Y175-G178 PolarHBondContact O-N 3.04Å; E176-G178 VanDerWaalsContact C-N 3.33Å; E176-G178 PolarHBondContact O-N 3.12Å; G178-Y182 WeakPolarHBondContact O-CB 3.45Å; G178-Y182 PolarHBondContact O-N 3.33Å; G178-T190 PolarHBondContact O-OG1 3.29Å
179	K	95.5	Very high	93.2	Very high	62 Å²	62	44.2 Å²	44.2	27%	0.27	23%	0.227	S	C	.	.	H	α-helix	trans	-67.2	-42.9	175.1	-86.7	173.6	59	-153.2	0	112.8	Y175 E176 L177 A181 Y182 S183 M194 Y217	Y175-K179 HydrophobicContact CD1-CD 3.85Å; Y175-K179 HydrophobicContact CE1-CD 3.22Å; Y175-K179 HydrophobicContact CE1-CG 4.22Å; Y175-K179 HydrophobicContact CE2-CD 4.14Å; Y175-K179 HydrophobicContact CE2-CG 4.35Å; Y175-K179 PolarHBondContact O-N 3.46Å; E176-K179 VanDerWaalsContact CD-NZ 3.29Å; E176-K179 PolarHBondContact O-N 3.02Å; E176-K179 IonicContact OE1-NZ 3.26Å; E176-K179 PolarHBondContact OE1-NZ 3.4Å; E176-K179 IonicContact OE2-NZ 2.69Å; E176-K179 PolarHBondContact OE2-NZ 3.15Å; L177-K179 VanDerWaalsContact C-N 3.32Å; L177-K179 PolarHBondContact O-N 3.03Å; K179-A181 VanDerWaalsContact C-N 3.31Å; K179-A181 PolarHBondContact O-N 3.05Å; K179-Y182 WeakPolarHBondContact O-CB 3.49Å; K179-Y182 PolarHBondContact O-N 2.62Å; K179-Y182 VanDerWaalsContact O-N 3.13Å; K179-S183 PolarHBondContact O-N 3.3Å; K179-S183 PolarHBondContact O-OG 3.48Å; K179-M194 HydrophobicContact CG-CE 3.96Å; K179-Y217 HydrophobicContact CG-CE1 4.44Å
180	I	92.2	Very high	93.3	Very high	22 Å²	22	42.6 Å²	42.6	11%	0.113	22%	0.219	C	C	.	.	H	α-helix	trans	-62.2	-42.9	176.8	-68.7	167	0	0	0	110	T135 A138 K139 E176 L177 Y182 S183 D184	T135-I180 HydrophobicContact CG2-CG2 4.16Å; A138-I180 HydrophobicContact CB-CB 4.43Å; A138-I180 HydrophobicContact CB-CD1 3.41Å; A138-I180 VanDerWaalsContact CB-CD1 3.41Å; A138-I180 HydrophobicContact CB-CG1 4.49Å; A138-I180 HydrophobicContact CB-CG2 4.06Å; K139-I180 HydrophobicContact CG-CG2 4.3Å; E176-I180 WeakPolarHBondContact O-CG1 3.38Å; E176-I180 PolarHBondContact O-N 3.07Å; L177-I180 PolarHBondContact O-N 3.41Å; I180-Y182 VanDerWaalsContact C-N 3.32Å; I180-Y182 PolarHBondContact O-N 2.64Å; I180-S183 PolarHBondContact O-N 2.72Å; I180-S183 PolarHBondContact O-OG 2.85Å; I180-D184 PolarHBondContact O-N 3.26Å
181	A	90.1	Very high	93.4	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.008	21%	0.209	C	C	.	.	H	α-helix	trans	-60.5	-42.1	172.3	0	0	0	0	0	112	L142 L177 K179 S183 D184 A185 D186 H189	L142-A181 HydrophobicContact CD1-CB 3.87Å; L177-A181 PolarHBondContact O-N 2.99Å; K179-A181 VanDerWaalsContact C-N 3.31Å; K179-A181 PolarHBondContact O-N 3.05Å; A181-S183 PolarHBondContact O-N 3.03Å; A181-D184 PolarHBondContact O-N 2.94Å; A181-D184 VanDerWaalsContact O-N 3.16Å; A181-A185 PolarHBondContact O-N 2.97Å; A181-D186 HydrophobicContact CB-CB 4.32Å; A181-D186 WeakPolarHBondContact O-CB 3.48Å; A181-D186 PolarHBondContact O-N 3.05Å; A181-H189 HydrophobicContact CB-CB 3.78Å
182	Y	92.6	Very high	93.3	Very high	69 Å²	69	43.6 Å²	43.6	27%	0.271	22%	0.222	S	C	.	.	H	α-helix	trans	-63.1	-42	-179.6	-179	-88	0	0	0	112.1	G178 K179 I180 D184 A185 Y187 T190 Y217 Y220	G178-Y182 WeakPolarHBondContact O-CB 3.45Å; G178-Y182 PolarHBondContact O-N 3.33Å; K179-Y182 WeakPolarHBondContact O-CB 3.49Å; K179-Y182 PolarHBondContact O-N 2.62Å; K179-Y182 VanDerWaalsContact O-N 3.13Å; I180-Y182 VanDerWaalsContact C-N 3.32Å; I180-Y182 PolarHBondContact O-N 2.64Å; Y182-D184 PolarHBondContact O-N 3.03Å; Y182-A185 WeakPolarHBondContact O-CA 3.44Å; Y182-A185 PolarHBondContact O-N 3.48Å; Y182-Y187 HydrophobicContact CD2-CD1 4.22Å; Y182-Y187 HydrophobicContact CD2-CE1 4.08Å; Y182-Y187 HydrophobicContact CE2-CD1 4.45Å; Y182-Y187 HydrophobicContact CE2-CE1 4.03Å; Y182-T190 WeakPolarHBondContact CA-OG1 3.48Å; Y182-T190 WeakPolarHBondContact CB-OG1 3.37Å; Y182-T190 HydrophobicContact CD2-CG2 4.07Å; Y182-T190 PolarHBondContact N-OG1 2.84Å; Y182-Y217 HydrophobicContact CD1-CD1 4.11Å; Y182-Y217 AromaticContact CD1-CE1 3.86Å; Y182-Y217 HydrophobicContact CD1-CE1 3.86Å; Y182-Y217 AromaticContact CD2-CD1 3.83Å; Y182-Y217 HydrophobicContact CD2-CD1 3.83Å; Y182-Y217 HydrophobicContact CD2-CE1 4.41Å; Y182-Y217 HydrophobicContact CE1-CD1 4.3Å; Y182-Y217 AromaticContact CE1-CE1 3.99Å; Y182-Y217 HydrophobicContact CE1-CE1 3.99Å; Y182-Y217 AromaticContact CE2-CD1 3.95Å; Y182-Y217 HydrophobicContact CE2-CD1 3.95Å; Y182-Y217 HydrophobicContact CE2-CE1 4.46Å; Y182-Y217 AromaticContact CG-CD1 3.89Å; Y182-Y217 HydrophobicContact CG-CD1 3.89Å; Y182-Y217 HydrophobicContact CG-CE1 4.1Å; Y182-Y220 AromaticContact CE2-CD1 3.48Å; Y182-Y220 HydrophobicContact CE2-CD1 3.48Å; Y182-Y220 VanDerWaalsContact CE2-CD1 3.48Å; Y182-Y220 AromaticContact CE2-CE1 3.86Å; Y182-Y220 HydrophobicContact CE2-CE1 3.86Å; Y182-Y220 HydrophobicContact CE2-CG 4.38Å; Y182-Y220 AromaticContact CZ-CD1 3.95Å; Y182-Y220 AromaticContact CZ-CE1 3.98Å; Y182-Y220 WeakPolarHBondContact OH-CE1 3.32Å
183	S	90	Very high	93.4	Very high	89 Å²	89	41.2 Å²	41.2	62%	0.622	21%	0.211	S	C	*	.	H	α-helix	trans	-63.5	-27	177.4	52.1	0	0	0	0	113.4	K179 I180 A181 A185	K179-S183 PolarHBondContact O-N 3.3Å; K179-S183 PolarHBondContact O-OG 3.48Å; I180-S183 PolarHBondContact O-N 2.72Å; I180-S183 PolarHBondContact O-OG 2.85Å; A181-S183 PolarHBondContact O-N 3.03Å; S183-A185 VanDerWaalsContact C-N 3.26Å
184	D	84.2	Confident	93.6	Very high	85 Å²	85	37.7 Å²	37.7	46%	0.455	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	6.1	174.9	-79.7	6.2	0	0	0	112.7	K139 I180 A181 Y182 D186	K139-D184 WeakPolarHBondContact CE-OD2 3.43Å; K139-D184 IonicContact NZ-OD1 2.89Å; K139-D184 PolarHBondContact NZ-OD1 3.08Å; K139-D184 IonicContact NZ-OD2 2.87Å; K139-D184 PolarHBondContact NZ-OD2 3.27Å; I180-D184 PolarHBondContact O-N 3.26Å; A181-D184 PolarHBondContact O-N 2.94Å; A181-D184 VanDerWaalsContact O-N 3.16Å; Y182-D184 PolarHBondContact O-N 3.03Å; D184-D186 PolarHBondContact O-N 3.49Å
185	A	90.4	Very high	93.6	Very high	56 Å²	56	39.3 Å²	39.3	46%	0.463	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	24.1	-172	0	0	0	0	0	114	A181 Y182 S183 Y187	A181-A185 PolarHBondContact O-N 2.97Å; Y182-A185 WeakPolarHBondContact O-CA 3.44Å; Y182-A185 PolarHBondContact O-N 3.48Å; S183-A185 VanDerWaalsContact C-N 3.26Å; A185-Y187 VanDerWaalsContact C-N 3.29Å; A185-Y187 HydrophobicContact CB-CE2 4.13Å; A185-Y187 WeakPolarHBondContact O-CD2 3.49Å; A185-Y187 PolarHBondContact O-N 2.89Å; A185-Y187 VanDerWaalsContact O-N 3.11Å
186	D	89.3	Confident	93.6	Very high	52 Å²	52	39.2 Å²	39.2	28%	0.278	21%	0.206	S	C	.	.			trans	-86	72.9	173.5	-167.7	-22.2	0	0	0	110.2	A181 D184 Y188 H189 T190	A181-D186 HydrophobicContact CB-CB 4.32Å; A181-D186 WeakPolarHBondContact O-CB 3.48Å; A181-D186 PolarHBondContact O-N 3.05Å; D184-D186 PolarHBondContact O-N 3.49Å; D186-Y188 PolarHBondContact O-N 3.18Å; D186-H189 PolarHBondContact O-N 3.37Å; D186-H189 IonicContact OD1-CG 2.84Å; D186-H189 PolarHBondContact OD1-N 3.47Å; D186-H189 VanDerWaalsContact OD1-N 3.13Å; D186-H189 IonicContact OD1-ND1 3.66Å; D186-H189 PolarHBondContact OD1-ND1 3.33Å; D186-H189 IonicContact OD2-CE1 2.95Å; D186-H189 IonicContact OD2-CG 3.03Å; D186-H189 IonicContact OD2-ND1 3.37Å; D186-H189 PolarHBondContact OD2-ND1 3.47Å; D186-T190 PolarHBondContact O-N 2.88Å; D186-T190 PolarHBondContact O-OG1 2.92Å; D186-T190 VanDerWaalsContact O-OG1 3.11Å
187	Y	91.6	Very high	93.7	Very high	52 Å²	52	35.8 Å²	35.8	20%	0.204	19%	0.19	C	C	.	.	H	α-helix	trans	-64.8	-24.3	-176	-57.2	-58.6	0	0	0	113.4	Y182 A185 E191 Y220 A221 Q224 Q225	Y182-Y187 HydrophobicContact CD2-CD1 4.22Å; Y182-Y187 HydrophobicContact CD2-CE1 4.08Å; Y182-Y187 HydrophobicContact CE2-CD1 4.45Å; Y182-Y187 HydrophobicContact CE2-CE1 4.03Å; A185-Y187 VanDerWaalsContact C-N 3.29Å; A185-Y187 HydrophobicContact CB-CE2 4.13Å; A185-Y187 WeakPolarHBondContact O-CD2 3.49Å; A185-Y187 PolarHBondContact O-N 2.89Å; A185-Y187 VanDerWaalsContact O-N 3.11Å; Y187-E191 PolarHBondContact O-N 3.3Å; Y187-Y220 HydrophobicContact CE1-CD1 4.14Å; Y187-Y220 AromaticContact CE1-CE1 3.74Å; Y187-Y220 HydrophobicContact CE1-CE1 3.74Å; Y187-A221 HydrophobicContact CD1-CB 4.31Å; Y187-Q224 HydrophobicContact CD1-CB 4.19Å; Y187-Q224 HydrophobicContact CD1-CG 4.19Å; Y187-Q224 HydrophobicContact CD2-CB 3.39Å; Y187-Q224 HydrophobicContact CD2-CG 3.92Å; Y187-Q224 HydrophobicContact CE1-CB 4.44Å; Y187-Q224 HydrophobicContact CE1-CG 4.01Å; Y187-Q224 HydrophobicContact CE2-CB 3.68Å; Y187-Q224 HydrophobicContact CE2-CG 3.71Å; Y187-Q224 HydrophobicContact CG-CB 3.66Å; Y187-Q224 HydrophobicContact CG-CG 4.14Å; Y187-Q225 PolarHBondContact O-NE2 2.93Å; Y187-Q225 VanDerWaalsContact O-NE2 3.16Å
188	Y	91.9	Very high	93.8	Very high	127 Å²	127	35.4 Å²	35.4	50%	0.498	19%	0.188	S	C	.	.	H	α-helix	trans	-64	-52.5	175.2	174.8	-105.3	0	0	0	110.8	D186 E191 L192	D186-Y188 PolarHBondContact O-N 3.18Å; Y188-E191 PolarHBondContact O-N 3.42Å; Y188-L192 HydrophobicContact CD1-CD1 4.26Å; Y188-L192 HydrophobicContact CE1-CD1 3.68Å; Y188-L192 HydrophobicContact CE2-CD1 4.4Å; Y188-L192 WeakPolarHBondContact O-CG 3.44Å; Y188-L192 PolarHBondContact O-N 3.24Å
189	H	93.1	Very high	93.9	Very high	3 Å²	3	39.3 Å²	39.3	1%	0.014	20%	0.204	C	C	.	.	H	α-helix	trans	-69	-34.5	176.6	-72.1	105.6	0	0	0	112.5	L142 Q145 D146 A181 D186 E191 L192 W193	L142-H189 HydrophobicContact CD2-CB 4.08Å; Q145-H189 PolarHBondContact OE1-CD2 3.23Å; Q145-H189 VanDerWaalsContact OE1-CD2 3.28Å; D146-H189 IonicContact OD1-CE1 3.03Å; D146-H189 PolarHBondContact OD1-CE1 2.93Å; D146-H189 IonicContact OD1-NE2 3.4Å; D146-H189 PolarHBondContact OD1-NE2 3.2Å; D146-H189 VanDerWaalsContact OD1-NE2 3.17Å; D146-H189 IonicContact OD2-CE1 2.84Å; D146-H189 PolarHBondContact OD2-CE1 3.07Å; A181-H189 HydrophobicContact CB-CB 3.78Å; D186-H189 PolarHBondContact O-N 3.37Å; D186-H189 IonicContact OD1-CG 2.84Å; D186-H189 PolarHBondContact OD1-N 3.47Å; D186-H189 VanDerWaalsContact OD1-N 3.13Å; D186-H189 IonicContact OD1-ND1 3.66Å; D186-H189 PolarHBondContact OD1-ND1 3.33Å; D186-H189 IonicContact OD2-CE1 2.95Å; D186-H189 IonicContact OD2-CG 3.03Å; D186-H189 IonicContact OD2-ND1 3.37Å; D186-H189 PolarHBondContact OD2-ND1 3.47Å; H189-E191 VanDerWaalsContact C-N 3.32Å; H189-E191 PolarHBondContact O-N 3.23Å; H189-L192 PolarHBondContact O-N 3.02Å; H189-W193 VanDerWaalsContact O-CD1 3.25Å; H189-W193 PolarHBondContact O-N 2.91Å
190	T	95.8	Very high	93.9	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-56.6	-47	172.4	-58.3	0	0	0	0	111.3	G178 Y182 D186 L192 W193 M194 A221	G178-T190 PolarHBondContact O-OG1 3.29Å; Y182-T190 WeakPolarHBondContact CA-OG1 3.48Å; Y182-T190 WeakPolarHBondContact CB-OG1 3.37Å; Y182-T190 HydrophobicContact CD2-CG2 4.07Å; Y182-T190 PolarHBondContact N-OG1 2.84Å; D186-T190 PolarHBondContact O-N 2.88Å; D186-T190 PolarHBondContact O-OG1 2.92Å; D186-T190 VanDerWaalsContact O-OG1 3.11Å; T190-L192 PolarHBondContact O-N 3.43Å; T190-W193 PolarHBondContact O-N 3.47Å; T190-M194 HydrophobicContact CG2-CE 4.48Å; T190-M194 HydrophobicContact CG2-CG 3.78Å; T190-M194 WeakPolarHBondContact O-CB 3.42Å; T190-M194 WeakPolarHBondContact O-CG 3.4Å; T190-M194 PolarHBondContact O-N 3.46Å; T190-A221 HydrophobicContact CG2-CB 3.78Å
191	E	96.3	Very high	94.1	Very high	22 Å²	22	36.9 Å²	36.9	10%	0.103	19%	0.194	C	C	.	.	H	α-helix	trans	-57.9	-49.3	178	178.2	-177	168.1	0	0	111.2	Y187 Y188 H189 W193 A195 L218 I222 Q225 R230	Y187-E191 PolarHBondContact O-N 3.3Å; Y188-E191 PolarHBondContact O-N 3.42Å; H189-E191 VanDerWaalsContact C-N 3.32Å; H189-E191 PolarHBondContact O-N 3.23Å; E191-W193 PolarHBondContact O-N 2.98Å; E191-A195 WeakPolarHBondContact O-CB 3.43Å; E191-A195 PolarHBondContact O-N 3.28Å; E191-L218 HydrophobicContact CB-CD1 4.28Å; E191-L218 HydrophobicContact CG-CD1 3.86Å; E191-I222 HydrophobicContact CB-CG1 4.48Å; E191-I222 HydrophobicContact CG-CD1 4.31Å; E191-I222 HydrophobicContact CG-CG1 3.83Å; E191-Q225 PolarHBondContact OE2-NE2 3.22Å; E191-R230 IonicContact OE1-CZ 2.76Å; E191-R230 VanDerWaalsContact OE1-CZ 3.26Å; E191-R230 IonicContact OE1-NH1 3.2Å; E191-R230 PolarHBondContact OE1-NH1 3.28Å; E191-R230 IonicContact OE1-NH2 3.23Å; E191-R230 PolarHBondContact OE1-NH2 3.46Å
192	L	95.9	Very high	94.4	Very high	50 Å²	50	40.3 Å²	40.3	26%	0.262	21%	0.212	S	C	.	.	H	α-helix	trans	-59.6	-45.8	-177.4	-65.4	178.7	0	0	0	112.4	A152 Y188 H189 T190 Q196	A152-L192 HydrophobicContact CB-CB 4.41Å; Y188-L192 HydrophobicContact CD1-CD1 4.26Å; Y188-L192 HydrophobicContact CE1-CD1 3.68Å; Y188-L192 HydrophobicContact CE2-CD1 4.4Å; Y188-L192 WeakPolarHBondContact O-CG 3.44Å; Y188-L192 PolarHBondContact O-N 3.24Å; H189-L192 PolarHBondContact O-N 3.02Å; T190-L192 PolarHBondContact O-N 3.43Å; L192-Q196 WeakPolarHBondContact O-CB 3.46Å; L192-Q196 PolarHBondContact O-N 3.25Å
193	W	97.8	Very high	94.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-78	-38.1	-176.4	-75.8	106.6	0	0	0	113.1	L141 A152 I155 M169 C174 L177 H189 T190 E191 A195 Q196 A197	L141-W193 HydrophobicContact CD2-CH2 4.02Å; L141-W193 HydrophobicContact CD2-CZ2 3.45Å; L141-W193 VanDerWaalsContact CD2-CZ2 3.45Å; A152-W193 HydrophobicContact CB-CD2 4.28Å; A152-W193 HydrophobicContact CB-CE3 4.29Å; A152-W193 HydrophobicContact CB-CH2 4.47Å; A152-W193 HydrophobicContact CB-CZ2 4.42Å; A152-W193 HydrophobicContact CB-CZ3 4.4Å; I155-W193 HydrophobicContact CB-CH2 3.83Å; I155-W193 HydrophobicContact CB-CZ2 4.26Å; I155-W193 HydrophobicContact CD1-CH2 4.47Å; I155-W193 HydrophobicContact CD1-CZ2 4.03Å; I155-W193 HydrophobicContact CG2-CH2 3.75Å; I155-W193 HydrophobicContact CG2-CZ2 4.24Å; M169-W193 HydrophobicContact CE-CZ3 4.32Å; M169-W193 HydrophobicContact SD-CH2 3.94Å; M169-W193 HydrophobicContact SD-CZ3 3.97Å; C174-W193 HydrophobicContact CB-CE3 4.05Å; L177-W193 HydrophobicContact CB-CD2 4.02Å; L177-W193 HydrophobicContact CB-CE3 4.33Å; L177-W193 HydrophobicContact CB-CG 4.09Å; L177-W193 HydrophobicContact CD1-CD2 3.85Å; L177-W193 HydrophobicContact CD1-CE3 3.83Å; L177-W193 HydrophobicContact CD1-CH2 3.58Å; L177-W193 HydrophobicContact CD1-CZ2 3.63Å; L177-W193 HydrophobicContact CD1-CZ3 3.69Å; H189-W193 VanDerWaalsContact O-CD1 3.25Å; H189-W193 PolarHBondContact O-N 2.91Å; T190-W193 PolarHBondContact O-N 3.47Å; E191-W193 PolarHBondContact O-N 2.98Å; W193-A195 VanDerWaalsContact C-N 3.35Å; W193-Q196 PolarHBondContact O-N 3.04Å; W193-A197 PolarHBondContact O-N 2.71Å
194	M	98	Very high	94.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-66.8	-38	173.3	-67.7	-66.3	175.9	0	0	111.4	Y175 K179 T190 Q196 A197 L198 V214 Y217 L218	Y175-M194 HydrophobicContact CD2-CE 3.67Å; Y175-M194 HydrophobicContact CD2-SD 3.59Å; Y175-M194 VanDerWaalsContact CD2-SD 3.59Å; Y175-M194 HydrophobicContact CE2-CE 3.76Å; Y175-M194 HydrophobicContact CE2-SD 4.01Å; K179-M194 HydrophobicContact CG-CE 3.96Å; T190-M194 HydrophobicContact CG2-CE 4.48Å; T190-M194 HydrophobicContact CG2-CG 3.78Å; T190-M194 WeakPolarHBondContact O-CB 3.42Å; T190-M194 WeakPolarHBondContact O-CG 3.4Å; T190-M194 PolarHBondContact O-N 3.46Å; M194-Q196 VanDerWaalsContact C-N 3.34Å; M194-A197 PolarHBondContact O-N 3.16Å; M194-L198 WeakPolarHBondContact O-CB 3.2Å; M194-L198 PolarHBondContact O-N 3.31Å; M194-V214 HydrophobicContact CB-CG1 4.12Å; M194-V214 VanDerWaalsContact O-CG1 3.24Å; M194-V214 WeakPolarHBondContact O-CG1 3.44Å; M194-V214 HydrophobicContact SD-CG1 4.07Å; M194-Y217 HydrophobicContact CE-CD1 4.34Å; M194-Y217 HydrophobicContact CE-CD2 4.25Å; M194-Y217 HydrophobicContact CE-CG 3.86Å; M194-L218 HydrophobicContact CB-CB 3.96Å; M194-L218 HydrophobicContact CB-CD1 4.03Å; M194-L218 HydrophobicContact CB-CG 4.47Å
195	A	97.1	Very high	95.2	Very high	35 Å²	35	41.5 Å²	41.5	29%	0.289	22%	0.224	S	C	.	.	H	α-helix	trans	-64.4	-38.4	173.1	0	0	0	0	0	112	E191 W193 L198 K199 L218	E191-A195 WeakPolarHBondContact O-CB 3.43Å; E191-A195 PolarHBondContact O-N 3.28Å; W193-A195 VanDerWaalsContact C-N 3.35Å; A195-L198 PolarHBondContact O-N 3.34Å; A195-K199 WeakPolarHBondContact O-CB 3.35Å; A195-K199 PolarHBondContact O-N 2.97Å; A195-L218 HydrophobicContact CB-CD1 4.41Å
196	Q	97.3	Very high	95.3	Very high	14 Å²	14	47.9 Å²	47.9	7%	0.065	24%	0.244	C	C	.	.	H	α-helix	trans	-66.1	-43.5	175	-179.1	59.9	30.9	0	0	112.1	A152 S156 L192 W193 M194 K199 Q200	A152-Q196 HydrophobicContact CB-CB 4.01Å; A152-Q196 HydrophobicContact CB-CG 4.32Å; S156-Q196 PolarHBondContact OG-NE2 3.31Å; L192-Q196 WeakPolarHBondContact O-CB 3.46Å; L192-Q196 PolarHBondContact O-N 3.25Å; W193-Q196 PolarHBondContact O-N 3.04Å; M194-Q196 VanDerWaalsContact C-N 3.34Å; Q196-K199 WeakPolarHBondContact O-CB 3.42Å; Q196-K199 PolarHBondContact O-N 3.01Å; Q196-Q200 PolarHBondContact O-N 3.43Å; Q196-Q200 VanDerWaalsContact O-N 3.07Å
197	A	97.8	Very high	95.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.6	-44.8	174.6	0	0	0	0	0	111.6	V171 C174 W193 M194 K199 Q200 L201 V214	V171-A197 HydrophobicContact CG1-CB 4.36Å; C174-A197 HydrophobicContact CB-CB 3.8Å; W193-A197 PolarHBondContact O-N 2.71Å; M194-A197 PolarHBondContact O-N 3.16Å; A197-K199 VanDerWaalsContact C-N 3.3Å; A197-K199 PolarHBondContact O-N 2.97Å; A197-Q200 PolarHBondContact O-N 3.27Å; A197-L201 WeakPolarHBondContact O-CG 3.3Å; A197-L201 PolarHBondContact O-N 3.25Å; A197-V214 HydrophobicContact CB-CG1 4.35Å
198	L	97.6	Very high	95.7	Very high	5 Å²	5	50.7 Å²	50.7	3%	0.026	27%	0.27	C	S	.	.	H	α-helix	trans	-62	-39.1	176.6	-177.3	62.4	0	0	0	111.9	M194 A195 L201 D202 K211 V214 L215 L218 Y234	M194-L198 WeakPolarHBondContact O-CB 3.2Å; M194-L198 PolarHBondContact O-N 3.31Å; A195-L198 PolarHBondContact O-N 3.34Å; L198-L201 PolarHBondContact O-N 3.42Å; L198-D202 WeakPolarHBondContact O-CB 3.45Å; L198-D202 VanDerWaalsContact O-CG 3.26Å; L198-D202 PolarHBondContact O-N 3.5Å; L198-K211 HydrophobicContact CD1-CB 4.37Å; L198-K211 HydrophobicContact CD1-CD 4.42Å; L198-K211 HydrophobicContact CD1-CG 4.17Å; L198-V214 HydrophobicContact CB-CG1 3.98Å; L198-L215 HydrophobicContact CD1-CD2 4.34Å; L198-L215 HydrophobicContact CD1-CG 4.28Å; L198-L215 HydrophobicContact CD2-CD2 3.64Å; L198-L215 HydrophobicContact CD2-CG 4.4Å; L198-L218 HydrophobicContact CD2-CD2 3.91Å; L198-Y234 HydrophobicContact CD2-CD1 4.37Å; L198-Y234 HydrophobicContact CD2-CE1 3.97Å
199	K	96.8	Very high	95.9	Very high	81 Å²	81	46.2 Å²	46.2	35%	0.352	25%	0.254	S	S	.	.	H	α-helix	trans	-61.8	-46.7	176	-179	-172.2	169.9	-167.4	0	111.4	N153 A195 Q196 A197 L201 D202 E203	N153-K199 PolarHBondContact OD1-NZ 3Å; A195-K199 WeakPolarHBondContact O-CB 3.35Å; A195-K199 PolarHBondContact O-N 2.97Å; Q196-K199 WeakPolarHBondContact O-CB 3.42Å; Q196-K199 PolarHBondContact O-N 3.01Å; A197-K199 VanDerWaalsContact C-N 3.3Å; A197-K199 PolarHBondContact O-N 2.97Å; K199-L201 VanDerWaalsContact C-N 3.34Å; K199-L201 PolarHBondContact O-N 3.39Å; K199-D202 WeakPolarHBondContact O-CB 3.34Å; K199-D202 PolarHBondContact O-N 3.38Å; K199-D202 VanDerWaalsContact O-N 3.11Å; K199-E203 WeakPolarHBondContact CE-OE1 3.44Å; K199-E203 WeakPolarHBondContact O-CG 3.38Å; K199-E203 PolarHBondContact O-N 3.17Å
200	Q	96	Very high	95.9	Very high	15 Å²	15	49.7 Å²	49.7	7%	0.07	27%	0.273	C	S	.	.	H	α-helix	trans	-60.9	-42.3	176.2	-76.2	173.3	-35.3	0	0	112	M169 T170 V171 C174 Q196 A197 D202 E203 G204 E205	M169-Q200 PolarHBondContact O-NE2 3.28Å; T170-Q200 PolarHBondContact O-OE1 3.25Å; V171-Q200 HydrophobicContact CG2-CB 3.56Å; C174-Q200 PolarHBondContact SG-OE1 2.9Å; C174-Q200 VanDerWaalsContact SG-OE1 3.41Å; Q196-Q200 PolarHBondContact O-N 3.43Å; Q196-Q200 VanDerWaalsContact O-N 3.07Å; A197-Q200 PolarHBondContact O-N 3.27Å; Q200-D202 VanDerWaalsContact C-N 3.3Å; Q200-D202 PolarHBondContact O-N 2.68Å; Q200-E203 PolarHBondContact O-N 3.25Å; Q200-G204 PolarHBondContact O-N 3.43Å; Q200-E205 HydrophobicContact CB-CB 4.45Å; Q200-E205 WeakPolarHBondContact O-CB 3.36Å; Q200-E205 PolarHBondContact O-N 3.4Å
201	L	96.6	Very high	96	Very high	18 Å²	18	52.6 Å²	52.6	9%	0.094	29%	0.286	C	S	.	.	H	α-helix	trans	-64.6	-31.6	173.4	-72.1	170.7	0	0	0	113.1	V171 A197 L198 K199 K211 V214	V171-L201 HydrophobicContact CB-CD2 4.48Å; V171-L201 HydrophobicContact CB-CG 4.44Å; V171-L201 HydrophobicContact CG1-CD1 3.87Å; V171-L201 HydrophobicContact CG1-CD2 3.86Å; V171-L201 HydrophobicContact CG1-CG 3.65Å; V171-L201 HydrophobicContact CG2-CD2 3.96Å; V171-L201 HydrophobicContact CG2-CG 3.86Å; A197-L201 WeakPolarHBondContact O-CG 3.3Å; A197-L201 PolarHBondContact O-N 3.25Å; L198-L201 PolarHBondContact O-N 3.42Å; K199-L201 VanDerWaalsContact C-N 3.34Å; K199-L201 PolarHBondContact O-N 3.39Å; L201-K211 VanDerWaalsContact C-CE 3.43Å; L201-K211 HydrophobicContact CB-CD 4.39Å; L201-K211 HydrophobicContact CB-CG 3.96Å; L201-K211 HydrophobicContact CD1-CG 3.85Å; L201-K211 HydrophobicContact CG-CG 4.45Å; L201-K211 WeakPolarHBondContact O-CE 3.47Å; L201-K211 PolarHBondContact O-NZ 3.19Å; L201-V214 HydrophobicContact CD1-CG2 3.98Å
202	D	95.5	Very high	96	Very high	74 Å²	74	52.6 Å²	52.6	40%	0.396	29%	0.287	S	S	.	.	H	α-helix	trans	-73.7	-30.3	174.3	-75	-23.7	0	0	0	112.5	L198 K199 Q200 G204 K211 R237	L198-D202 WeakPolarHBondContact O-CB 3.45Å; L198-D202 VanDerWaalsContact O-CG 3.26Å; L198-D202 PolarHBondContact O-N 3.5Å; K199-D202 WeakPolarHBondContact O-CB 3.34Å; K199-D202 PolarHBondContact O-N 3.38Å; K199-D202 VanDerWaalsContact O-N 3.11Å; Q200-D202 VanDerWaalsContact C-N 3.3Å; Q200-D202 PolarHBondContact O-N 2.68Å; D202-G204 PolarHBondContact O-N 3.11Å; D202-K211 WeakPolarHBondContact OD1-CE 3.4Å; D202-K211 IonicContact OD1-NZ 2.72Å; D202-K211 PolarHBondContact OD1-NZ 3.13Å; D202-R237 IonicContact OD1-NH2 2.79Å; D202-R237 PolarHBondContact OD1-NH2 3.03Å; D202-R237 IonicContact OD2-CZ 3.92Å; D202-R237 IonicContact OD2-NH1 3.65Å; D202-R237 PolarHBondContact OD2-NH1 2.93Å; D202-R237 IonicContact OD2-NH2 2.7Å; D202-R237 PolarHBondContact OD2-NH2 3.45Å
203	E	95.6	Very high	96	Very high	139 Å²	139	52.3 Å²	52.3	65%	0.65	29%	0.288	S	S	*	.	H	α-helix	trans	-77	-9	173.9	-70.8	173	180	0	0	113.1	K199 Q200	K199-E203 WeakPolarHBondContact CE-OE1 3.44Å; K199-E203 WeakPolarHBondContact O-CG 3.38Å; K199-E203 PolarHBondContact O-N 3.17Å; Q200-E203 PolarHBondContact O-N 3.25Å
204	G	94.1	Very high	96	Very high	59 Å²	59	52.3 Å²	52.3	61%	0.608	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.1	20.6	171.7	0	0	0	0	0	115	Q200 D202 E206	Q200-G204 PolarHBondContact O-N 3.43Å; D202-G204 PolarHBondContact O-N 3.11Å; G204-E206 PolarHBondContact O-N 2.9Å
205	E	94.6	Very high	96	Very high	70 Å²	70	52.3 Å²	52.3	33%	0.327	29%	0.288	S	S	.	.			trans	-63.3	128.1	172.2	-166.9	174.3	141.1	0	0	110.7	T170 V171 Q200 S207	T170-E205 WeakPolarHBondContact CA-OE1 3.5Å; T170-E205 WeakPolarHBondContact CB-OE1 3.44Å; V171-E205 HydrophobicContact CG2-CB 4.03Å; V171-E205 HydrophobicContact CG2-CG 4.09Å; V171-E205 PolarHBondContact N-OE1 3.06Å; Q200-E205 HydrophobicContact CB-CB 4.45Å; Q200-E205 WeakPolarHBondContact O-CB 3.36Å; Q200-E205 PolarHBondContact O-N 3.4Å; E205-S207 PolarHBondContact O-N 3.18Å
206	E	93.5	Very high	95.9	Very high	190 Å²	190	51.6 Å²	51.6	89%	0.888	28%	0.279	S	S	*	.			trans	-71	124.4	174.6	-73.3	-173.8	175.5	0	0	109.7	G204	G204-E206 PolarHBondContact O-N 2.9Å
207	S	94.9	Very high	95.9	Very high	37 Å²	37	54.1 Å²	54.1	26%	0.259	29%	0.288	S	S	.	.			trans	-145.1	154	-178.1	177.9	0	0	0	0	111.2	V171 E172 E205 I209	V171-S207 WeakPolarHBondContact CG1-OG 3.45Å; E172-S207 VanDerWaalsContact OE1-CA 3.26Å; E172-S207 WeakPolarHBondContact OE1-CA 3.23Å; E172-S207 VanDerWaalsContact OE1-CB 3.31Å; E172-S207 WeakPolarHBondContact OE1-CB 3.07Å; E172-S207 PolarHBondContact OE1-OG 3.26Å; E205-S207 PolarHBondContact O-N 3.18Å; S207-I209 VanDerWaalsContact C-N 3.28Å; S207-I209 PolarHBondContact OG-N 3.06Å
208	T	94.1	Very high	95.9	Very high	126 Å²	126	54.1 Å²	54.1	77%	0.773	29%	0.288	S	S	*	.	S	Bend	trans	-77.2	-17.2	170.8	58.1	0	0	0	0	112.9	E172	E172-T208 PolarHBondContact OE1-N 3.35Å; E172-T208 PolarHBondContact OE1-OG1 3.47Å
209	I	95.6	Very high	95.9	Very high	32 Å²	32	53.9 Å²	53.9	16%	0.164	29%	0.287	C	S	.	.	S	Bend	trans	-88.7	125.2	179.4	-54.8	-60.3	0	0	0	109.4	V171 E172 Y175 S207 V214	V171-I209 HydrophobicContact CG1-CB 4.31Å; E172-I209 HydrophobicContact CG-CG1 4.11Å; Y175-I209 HydrophobicContact CD1-CD1 3.83Å; Y175-I209 HydrophobicContact CD1-CG1 4.01Å; Y175-I209 HydrophobicContact CD1-CG2 4.23Å; Y175-I209 HydrophobicContact CD2-CG2 4.05Å; Y175-I209 HydrophobicContact CE1-CD1 3.88Å; Y175-I209 HydrophobicContact CE1-CG2 4.44Å; Y175-I209 HydrophobicContact CE2-CG2 4.3Å; Y175-I209 HydrophobicContact CG-CG1 4.36Å; Y175-I209 HydrophobicContact CG-CG2 4.02Å; S207-I209 VanDerWaalsContact C-N 3.28Å; S207-I209 PolarHBondContact OG-N 3.06Å; I209-V214 HydrophobicContact CG2-CG2 3.73Å
210	D	93.9	Very high	95.8	Very high	76 Å²	76	53.8 Å²	53.8	41%	0.406	29%	0.285	S	S	.	.			trans	-85.5	155.1	179	72.1	-82.8	0	0	0	112.5	V212 T213 V214	D210-V212 VanDerWaalsContact C-N 3.26Å; D210-V212 PolarHBondContact O-N 3.39Å; D210-V212 VanDerWaalsContact OD2-CA 3.3Å; D210-V212 WeakPolarHBondContact OD2-CA 3.44Å; D210-V212 WeakPolarHBondContact OD2-CB 3.46Å; D210-V212 PolarHBondContact OD2-N 2.98Å; D210-T213 PolarHBondContact O-N 3.34Å; D210-T213 WeakPolarHBondContact OD1-CB 3.39Å; D210-T213 PolarHBondContact OD1-OG1 3.32Å; D210-T213 PolarHBondContact OD2-N 3.21Å; D210-T213 PolarHBondContact OD2-OG1 3.1Å; D210-V214 PolarHBondContact O-N 3.23Å
211	K	96.6	Very high	95.7	Very high	61 Å²	61	53 Å²	53	27%	0.265	28%	0.282	S	S	.	.	H	α-helix	trans	-62.3	-29.8	179.5	-70.6	-177	-178.8	-175.3	0	113.2	L198 L201 D202 V214 L215 L241	L198-K211 HydrophobicContact CD1-CB 4.37Å; L198-K211 HydrophobicContact CD1-CD 4.42Å; L198-K211 HydrophobicContact CD1-CG 4.17Å; L201-K211 VanDerWaalsContact C-CE 3.43Å; L201-K211 HydrophobicContact CB-CD 4.39Å; L201-K211 HydrophobicContact CB-CG 3.96Å; L201-K211 HydrophobicContact CD1-CG 3.85Å; L201-K211 HydrophobicContact CG-CG 4.45Å; L201-K211 WeakPolarHBondContact O-CE 3.47Å; L201-K211 PolarHBondContact O-NZ 3.19Å; D202-K211 WeakPolarHBondContact OD1-CE 3.4Å; D202-K211 IonicContact OD1-NZ 2.72Å; D202-K211 PolarHBondContact OD1-NZ 3.13Å; K211-V214 PolarHBondContact O-N 3.36Å; K211-L215 WeakPolarHBondContact O-CB 3.16Å; K211-L215 WeakPolarHBondContact O-CD1 3.43Å; K211-L215 WeakPolarHBondContact O-CG 3.35Å; K211-L215 PolarHBondContact O-N 2.99Å; K211-L241 HydrophobicContact CB-CD1 3.68Å; K211-L241 HydrophobicContact CD-CD1 4.42Å
212	V	96.6	Very high	95.7	Very high	23 Å²	23	52.2 Å²	52.2	14%	0.139	28%	0.277	C	S	.	.	H	α-helix	trans	-66.9	-45.3	-178.4	174.4	0	0	0	0	109.3	D210 V214 L215 D216 L238 L241 D242	D210-V212 VanDerWaalsContact C-N 3.26Å; D210-V212 PolarHBondContact O-N 3.39Å; D210-V212 VanDerWaalsContact OD2-CA 3.3Å; D210-V212 WeakPolarHBondContact OD2-CA 3.44Å; D210-V212 WeakPolarHBondContact OD2-CB 3.46Å; D210-V212 PolarHBondContact OD2-N 2.98Å; V212-V214 PolarHBondContact O-N 3.49Å; V212-L215 PolarHBondContact O-N 2.98Å; V212-D216 PolarHBondContact O-N 3.28Å; V212-L238 HydrophobicContact CG1-CD1 4.44Å; V212-L238 HydrophobicContact CG1-CD2 3.83Å; V212-L238 HydrophobicContact CG1-CG 3.95Å; V212-L241 HydrophobicContact CG2-CB 3.7Å; V212-L241 HydrophobicContact CG2-CD1 4.33Å; V212-D242 HydrophobicContact CG1-CB 4.22Å; V212-D242 HydrophobicContact CG2-CB 3.97Å
213	T	96.4	Very high	95.6	Very high	44 Å²	44	51.1 Å²	51.1	27%	0.27	27%	0.268	S	S	.	.	H	α-helix	trans	-58.3	-47.4	175.6	-64.2	0	0	0	0	111.9	Y175 D210 L215 D216 Y217	Y175-T213 HydrophobicContact CE2-CG2 3.82Å; Y175-T213 WeakPolarHBondContact OH-CG2 3.38Å; D210-T213 PolarHBondContact O-N 3.34Å; D210-T213 WeakPolarHBondContact OD1-CB 3.39Å; D210-T213 PolarHBondContact OD1-OG1 3.32Å; D210-T213 PolarHBondContact OD2-N 3.21Å; D210-T213 PolarHBondContact OD2-OG1 3.1Å; T213-L215 PolarHBondContact O-N 3.47Å; T213-D216 PolarHBondContact O-N 3.01Å; T213-Y217 HydrophobicContact CG2-CE2 4.43Å; T213-Y217 WeakPolarHBondContact O-CD2 3.38Å
214	V	97.4	Very high	95.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63	-43.7	178.2	180	0	0	0	0	111.6	Y175 M194 A197 L198 L201 I209 D210 K211 V212 D216 Y217 L218	Y175-V214 HydrophobicContact CD2-CG2 4.01Å; Y175-V214 HydrophobicContact CE2-CG2 4.47Å; M194-V214 HydrophobicContact CB-CG1 4.12Å; M194-V214 VanDerWaalsContact O-CG1 3.24Å; M194-V214 WeakPolarHBondContact O-CG1 3.44Å; M194-V214 HydrophobicContact SD-CG1 4.07Å; A197-V214 HydrophobicContact CB-CG1 4.35Å; L198-V214 HydrophobicContact CB-CG1 3.98Å; L201-V214 HydrophobicContact CD1-CG2 3.98Å; I209-V214 HydrophobicContact CG2-CG2 3.73Å; D210-V214 PolarHBondContact O-N 3.23Å; K211-V214 PolarHBondContact O-N 3.36Å; V212-V214 PolarHBondContact O-N 3.49Å; V214-D216 VanDerWaalsContact C-N 3.31Å; V214-D216 PolarHBondContact O-N 3.47Å; V214-Y217 PolarHBondContact O-N 2.88Å; V214-L218 VanDerWaalsContact O-CB 3.31Å; V214-L218 WeakPolarHBondContact O-CB 3.47Å; V214-L218 PolarHBondContact O-N 3.19Å
215	L	97.7	Very high	95.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.8	-32.5	-179.6	-74.3	166.2	0	0	0	112.9	L198 K211 V212 T213 S219 Y234 R237 L238 L241	L198-L215 HydrophobicContact CD1-CD2 4.34Å; L198-L215 HydrophobicContact CD1-CG 4.28Å; L198-L215 HydrophobicContact CD2-CD2 3.64Å; L198-L215 HydrophobicContact CD2-CG 4.4Å; K211-L215 WeakPolarHBondContact O-CB 3.16Å; K211-L215 WeakPolarHBondContact O-CD1 3.43Å; K211-L215 WeakPolarHBondContact O-CG 3.35Å; K211-L215 PolarHBondContact O-N 2.99Å; V212-L215 PolarHBondContact O-N 2.98Å; T213-L215 PolarHBondContact O-N 3.47Å; L215-S219 VanDerWaalsContact O-CB 3.25Å; L215-S219 WeakPolarHBondContact O-CB 3.46Å; L215-S219 PolarHBondContact O-N 3.02Å; L215-S219 PolarHBondContact O-OG 3.35Å; L215-S219 VanDerWaalsContact O-OG 3.06Å; L215-Y234 HydrophobicContact CD2-CD1 3.59Å; L215-Y234 HydrophobicContact CD2-CE1 4.42Å; L215-Y234 HydrophobicContact CD2-CG 4.41Å; L215-R237 HydrophobicContact CD1-CG 4.18Å; L215-L238 HydrophobicContact CB-CB 3.99Å; L215-L238 HydrophobicContact CB-CD1 4.02Å; L215-L238 HydrophobicContact CB-CG 4.13Å; L215-L238 HydrophobicContact CD1-CB 4.2Å; L215-L241 HydrophobicContact CD1-CD1 3.79Å
216	D	96.3	Very high	95.2	Very high	19 Å²	19	47.7 Å²	47.7	10%	0.102	25%	0.249	C	C	.	.	H	α-helix	trans	-63.9	-51	178.1	-166.6	35.5	0	0	0	110.6	V212 T213 V214 S219 Y220 L238 R247	V212-D216 PolarHBondContact O-N 3.28Å; T213-D216 PolarHBondContact O-N 3.01Å; V214-D216 VanDerWaalsContact C-N 3.31Å; V214-D216 PolarHBondContact O-N 3.47Å; D216-S219 PolarHBondContact O-OG 3Å; D216-Y220 PolarHBondContact O-N 2.82Å; D216-L238 HydrophobicContact CB-CD1 3.98Å; D216-R247 IonicContact OD2-CZ 2.94Å; D216-R247 IonicContact OD2-NH1 2.84Å; D216-R247 PolarHBondContact OD2-NH1 2.93Å
217	Y	97.3	Very high	95.2	Very high	67 Å²	67	42.6 Å²	42.6	26%	0.263	23%	0.225	S	C	.	.	H	α-helix	trans	-62	-45.4	175.1	-77.8	-83.3	0	0	0	112.4	Y175 K179 Y182 M194 T213 V214 Y220 A221	Y175-Y217 HydrophobicContact CE2-CD2 4.07Å; Y175-Y217 HydrophobicContact CE2-CE2 4.29Å; Y175-Y217 WeakPolarHBondContact OH-CE2 3.45Å; K179-Y217 HydrophobicContact CG-CE1 4.44Å; Y182-Y217 HydrophobicContact CD1-CD1 4.11Å; Y182-Y217 AromaticContact CD1-CE1 3.86Å; Y182-Y217 HydrophobicContact CD1-CE1 3.86Å; Y182-Y217 AromaticContact CD2-CD1 3.83Å; Y182-Y217 HydrophobicContact CD2-CD1 3.83Å; Y182-Y217 HydrophobicContact CD2-CE1 4.41Å; Y182-Y217 HydrophobicContact CE1-CD1 4.3Å; Y182-Y217 AromaticContact CE1-CE1 3.99Å; Y182-Y217 HydrophobicContact CE1-CE1 3.99Å; Y182-Y217 AromaticContact CE2-CD1 3.95Å; Y182-Y217 HydrophobicContact CE2-CD1 3.95Å; Y182-Y217 HydrophobicContact CE2-CE1 4.46Å; Y182-Y217 AromaticContact CG-CD1 3.89Å; Y182-Y217 HydrophobicContact CG-CD1 3.89Å; Y182-Y217 HydrophobicContact CG-CE1 4.1Å; M194-Y217 HydrophobicContact CE-CD1 4.34Å; M194-Y217 HydrophobicContact CE-CD2 4.25Å; M194-Y217 HydrophobicContact CE-CG 3.86Å; T213-Y217 HydrophobicContact CG2-CE2 4.43Å; T213-Y217 WeakPolarHBondContact O-CD2 3.38Å; V214-Y217 PolarHBondContact O-N 2.88Å; Y217-Y220 PolarHBondContact O-N 3.17Å; Y217-A221 WeakPolarHBondContact O-CB 3.48Å; Y217-A221 PolarHBondContact O-N 2.63Å
218	L	97.1	Very high	95.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.4	-47.8	-178.5	-178.8	58.3	0	0	0	111.8	E191 M194 A195 L198 V214 Y220 A221 I222 Y234	E191-L218 HydrophobicContact CB-CD1 4.28Å; E191-L218 HydrophobicContact CG-CD1 3.86Å; M194-L218 HydrophobicContact CB-CB 3.96Å; M194-L218 HydrophobicContact CB-CD1 4.03Å; M194-L218 HydrophobicContact CB-CG 4.47Å; A195-L218 HydrophobicContact CB-CD1 4.41Å; L198-L218 HydrophobicContact CD2-CD2 3.91Å; V214-L218 VanDerWaalsContact O-CB 3.31Å; V214-L218 WeakPolarHBondContact O-CB 3.47Å; V214-L218 PolarHBondContact O-N 3.19Å; L218-Y220 VanDerWaalsContact C-N 3.31Å; L218-Y220 PolarHBondContact O-N 2.89Å; L218-A221 PolarHBondContact O-N 2.82Å; L218-I222 HydrophobicContact CD1-CD1 3.77Å; L218-I222 HydrophobicContact CD1-CG1 4.18Å; L218-I222 HydrophobicContact CG-CD1 3.87Å; L218-I222 VanDerWaalsContact O-CG1 3.3Å; L218-I222 WeakPolarHBondContact O-CG1 3.41Å; L218-I222 PolarHBondContact O-N 3.05Å; L218-Y234 HydrophobicContact CD2-CD1 3.82Å; L218-Y234 HydrophobicContact CD2-CE1 3.65Å; L218-Y234 HydrophobicContact CD2-CE2 4.43Å; L218-Y234 HydrophobicContact CD2-CG 4.28Å
219	S	96.3	Very high	95.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.9	-39.2	-179.4	67.6	0	0	0	0	112.2	L215 D216 Y223 A231	L215-S219 VanDerWaalsContact O-CB 3.25Å; L215-S219 WeakPolarHBondContact O-CB 3.46Å; L215-S219 PolarHBondContact O-N 3.02Å; L215-S219 PolarHBondContact O-OG 3.35Å; L215-S219 VanDerWaalsContact O-OG 3.06Å; D216-S219 PolarHBondContact O-OG 3Å; S219-Y223 WeakPolarHBondContact O-CB 3.44Å; S219-Y223 PolarHBondContact O-N 2.97Å; S219-Y223 VanDerWaalsContact O-N 3.08Å; S219-A231 WeakPolarHBondContact O-CB 3.26Å
220	Y	95.8	Very high	95.2	Very high	79 Å²	79	44.5 Å²	44.5	31%	0.31	22%	0.218	S	C	.	.	H	α-helix	trans	-68.6	-45	176	-176.6	-88.7	0	0	0	112.2	Y182 Y187 D216 Y217 L218 I222 Y223 Q224	Y182-Y220 AromaticContact CE2-CD1 3.48Å; Y182-Y220 HydrophobicContact CE2-CD1 3.48Å; Y182-Y220 VanDerWaalsContact CE2-CD1 3.48Å; Y182-Y220 AromaticContact CE2-CE1 3.86Å; Y182-Y220 HydrophobicContact CE2-CE1 3.86Å; Y182-Y220 HydrophobicContact CE2-CG 4.38Å; Y182-Y220 AromaticContact CZ-CD1 3.95Å; Y182-Y220 AromaticContact CZ-CE1 3.98Å; Y182-Y220 WeakPolarHBondContact OH-CE1 3.32Å; Y187-Y220 HydrophobicContact CE1-CD1 4.14Å; Y187-Y220 AromaticContact CE1-CE1 3.74Å; Y187-Y220 HydrophobicContact CE1-CE1 3.74Å; D216-Y220 PolarHBondContact O-N 2.82Å; Y217-Y220 PolarHBondContact O-N 3.17Å; L218-Y220 VanDerWaalsContact C-N 3.31Å; L218-Y220 PolarHBondContact O-N 2.89Å; Y220-I222 VanDerWaalsContact C-N 3.33Å; Y220-I222 PolarHBondContact O-N 2.94Å; Y220-Y223 WeakPolarHBondContact O-CB 3.48Å; Y220-Y223 PolarHBondContact O-N 3.02Å; Y220-Y223 VanDerWaalsContact O-N 3.17Å; Y220-Q224 HydrophobicContact CD1-CG 3.78Å; Y220-Q224 HydrophobicContact CE1-CG 3.45Å; Y220-Q224 VanDerWaalsContact CE1-CG 3.45Å; Y220-Q224 WeakPolarHBondContact O-CG 3.44Å; Y220-Q224 PolarHBondContact O-N 3.31Å; Y220-Q224 PolarHBondContact OH-NE2 3.04Å; Y220-Q224 VanDerWaalsContact OH-NE2 3.11Å
221	A	94.6	Very high	95.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60.9	-41.7	179.4	0	0	0	0	0	112.1	Y187 T190 Y217 L218 Q224 Q225	Y187-A221 HydrophobicContact CD1-CB 4.31Å; T190-A221 HydrophobicContact CG2-CB 3.78Å; Y217-A221 WeakPolarHBondContact O-CB 3.48Å; Y217-A221 PolarHBondContact O-N 2.63Å; L218-A221 PolarHBondContact O-N 2.82Å; A221-Q224 PolarHBondContact O-N 3.3Å; A221-Q225 WeakPolarHBondContact O-CG 3.42Å; A221-Q225 PolarHBondContact O-N 3.45Å; A221-Q225 PolarHBondContact O-NE2 3.19Å
222	I	94.8	Very high	95.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-64.3	-41.6	174.9	-68.4	171.5	0	0	0	110.9	E191 L218 Y220 Q224 Q225 G226 E227 R230 A231 Y234	E191-I222 HydrophobicContact CB-CG1 4.48Å; E191-I222 HydrophobicContact CG-CD1 4.31Å; E191-I222 HydrophobicContact CG-CG1 3.83Å; L218-I222 HydrophobicContact CD1-CD1 3.77Å; L218-I222 HydrophobicContact CD1-CG1 4.18Å; L218-I222 HydrophobicContact CG-CD1 3.87Å; L218-I222 VanDerWaalsContact O-CG1 3.3Å; L218-I222 WeakPolarHBondContact O-CG1 3.41Å; L218-I222 PolarHBondContact O-N 3.05Å; Y220-I222 VanDerWaalsContact C-N 3.33Å; Y220-I222 PolarHBondContact O-N 2.94Å; I222-Q224 PolarHBondContact O-N 3.48Å; I222-Q225 PolarHBondContact O-N 2.86Å; I222-G226 PolarHBondContact O-N 3.03Å; I222-E227 HydrophobicContact CG2-CB 3.74Å; I222-E227 WeakPolarHBondContact CG2-O 3.49Å; I222-E227 PolarHBondContact O-N 3.05Å; I222-R230 HydrophobicContact CG2-CB 3.71Å; I222-A231 HydrophobicContact CB-CB 4.42Å; I222-A231 HydrophobicContact CG2-CB 4.08Å; I222-Y234 HydrophobicContact CD1-CD2 3.39Å; I222-Y234 HydrophobicContact CD1-CE2 3.39Å; I222-Y234 HydrophobicContact CD1-CG 4.4Å
223	Y	94.9	Very high	95.3	Very high	52 Å²	52	44.3 Å²	44.3	20%	0.204	21%	0.214	C	C	.	.	H	α-helix	trans	-61.3	-43.8	175.8	165.6	-102.8	0	0	0	112.3	S219 Y220 Q225 G226 I228 Y254 F255	S219-Y223 WeakPolarHBondContact O-CB 3.44Å; S219-Y223 PolarHBondContact O-N 2.97Å; S219-Y223 VanDerWaalsContact O-N 3.08Å; Y220-Y223 WeakPolarHBondContact O-CB 3.48Å; Y220-Y223 PolarHBondContact O-N 3.02Å; Y220-Y223 VanDerWaalsContact O-N 3.17Å; Y223-Q225 PolarHBondContact O-N 3.31Å; Y223-G226 WeakPolarHBondContact O-CA 3.43Å; Y223-G226 PolarHBondContact O-N 3.15Å; Y223-I228 HydrophobicContact CD2-CG1 4.31Å; Y223-I228 HydrophobicContact CE2-CG1 4.48Å; Y223-Y254 AromaticContact CE2-CE1 3.98Å; Y223-Y254 HydrophobicContact CE2-CE1 3.98Å; Y223-Y254 AromaticContact CZ-CE1 3.76Å; Y223-Y254 WeakPolarHBondContact OH-CE1 3.05Å; Y223-Y254 PolarHBondContact OH-OH 2.98Å; Y223-F255 HydrophobicContact CD1-CE1 4.15Å; Y223-F255 AromaticContact CD2-CD1 3.73Å; Y223-F255 HydrophobicContact CD2-CD1 3.73Å; Y223-F255 AromaticContact CD2-CE1 3.27Å; Y223-F255 HydrophobicContact CD2-CE1 3.27Å; Y223-F255 HydrophobicContact CD2-CZ 4.1Å; Y223-F255 HydrophobicContact CE2-CD1 4.08Å; Y223-F255 AromaticContact CE2-CE1 3.81Å; Y223-F255 HydrophobicContact CE2-CE1 3.81Å; Y223-F255 HydrophobicContact CG-CD1 4.37Å; Y223-F255 AromaticContact CG-CE1 3.47Å; Y223-F255 HydrophobicContact CG-CE1 3.47Å; Y223-F255 VanDerWaalsContact CG-CE1 3.47Å; Y223-F255 AromaticContact CG-CZ 3.92Å; Y223-F255 HydrophobicContact CG-CZ 3.92Å
224	Q	92.6	Very high	95.3	Very high	79 Å²	79	44.5 Å²	44.5	37%	0.369	21%	0.21	S	C	.	.	H	α-helix	trans	-63.2	-26.2	178.5	-69.8	-63.8	-32.5	0	0	113	Y187 Y220 A221 I222 G226	Y187-Q224 HydrophobicContact CD1-CB 4.19Å; Y187-Q224 HydrophobicContact CD1-CG 4.19Å; Y187-Q224 HydrophobicContact CD2-CB 3.39Å; Y187-Q224 HydrophobicContact CD2-CG 3.92Å; Y187-Q224 HydrophobicContact CE1-CB 4.44Å; Y187-Q224 HydrophobicContact CE1-CG 4.01Å; Y187-Q224 HydrophobicContact CE2-CB 3.68Å; Y187-Q224 HydrophobicContact CE2-CG 3.71Å; Y187-Q224 HydrophobicContact CG-CB 3.66Å; Y187-Q224 HydrophobicContact CG-CG 4.14Å; Y220-Q224 HydrophobicContact CD1-CG 3.78Å; Y220-Q224 HydrophobicContact CE1-CG 3.45Å; Y220-Q224 VanDerWaalsContact CE1-CG 3.45Å; Y220-Q224 WeakPolarHBondContact O-CG 3.44Å; Y220-Q224 PolarHBondContact O-N 3.31Å; Y220-Q224 PolarHBondContact OH-NE2 3.04Å; Y220-Q224 VanDerWaalsContact OH-NE2 3.11Å; A221-Q224 PolarHBondContact O-N 3.3Å; I222-Q224 PolarHBondContact O-N 3.48Å; Q224-G226 VanDerWaalsContact C-N 3.26Å
225	Q	92	Very high	95.2	Very high	68 Å²	68	44.5 Å²	44.5	32%	0.318	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-6.3	173.2	-68.2	178.3	81.5	0	0	113.4	Y187 E191 A221 I222 Y223	Y187-Q225 PolarHBondContact O-NE2 2.93Å; Y187-Q225 VanDerWaalsContact O-NE2 3.16Å; E191-Q225 PolarHBondContact OE2-NE2 3.22Å; A221-Q225 WeakPolarHBondContact O-CG 3.42Å; A221-Q225 PolarHBondContact O-N 3.45Å; A221-Q225 PolarHBondContact O-NE2 3.19Å; I222-Q225 PolarHBondContact O-N 2.86Å; Y223-Q225 PolarHBondContact O-N 3.31Å
226	G	91.3	Very high	95.2	Very high	49 Å²	49	48.2 Å²	48.2	51%	0.505	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.8	3.4	176.2	0	0	0	0	0	115	I222 Y223 Q224 I228	I222-G226 PolarHBondContact O-N 3.03Å; Y223-G226 WeakPolarHBondContact O-CA 3.43Å; Y223-G226 PolarHBondContact O-N 3.15Å; Q224-G226 VanDerWaalsContact C-N 3.26Å; G226-I228 VanDerWaalsContact C-N 3.34Å; G226-I228 PolarHBondContact O-N 3.27Å; G226-I228 VanDerWaalsContact O-N 3.11Å
227	E	93.7	Very high	95.2	Very high	82 Å²	82	51.2 Å²	51.2	38%	0.383	24%	0.24	S	C	.	.			trans	-88.6	67.2	-178.8	-67.6	-171.9	-122.8	0	0	111.5	I222 E229 R230 A231	I222-E227 HydrophobicContact CG2-CB 3.74Å; I222-E227 WeakPolarHBondContact CG2-O 3.49Å; I222-E227 PolarHBondContact O-N 3.05Å; E227-E229 VanDerWaalsContact C-N 3.32Å; E227-E229 PolarHBondContact O-N 3.29Å; E227-R230 HydrophobicContact CB-CB 4.43Å; E227-R230 VanDerWaalsContact CD-NH1 3.34Å; E227-R230 PolarHBondContact O-N 3.45Å; E227-R230 IonicContact OE1-NH1 3.18Å; E227-R230 PolarHBondContact OE1-NH1 3Å; E227-R230 WeakPolarHBondContact OE2-CD 3.36Å; E227-R230 IonicContact OE2-CZ 2.81Å; E227-R230 IonicContact OE2-NE 3.62Å; E227-R230 IonicContact OE2-NH1 3.75Å; E227-R230 PolarHBondContact OE2-NH1 2.82Å; E227-A231 PolarHBondContact O-N 2.93Å
228	I	94.2	Very high	95.1	Very high	11 Å²	11	48 Å²	48	6%	0.056	23%	0.227	C	C	.	.	H	α-helix	trans	-61	-37.3	-170.7	-50.5	-178	0	0	0	112.7	Y223 G226 A231 L232 F255 Q258 L259	Y223-I228 HydrophobicContact CD2-CG1 4.31Å; Y223-I228 HydrophobicContact CE2-CG1 4.48Å; G226-I228 VanDerWaalsContact C-N 3.34Å; G226-I228 PolarHBondContact O-N 3.27Å; G226-I228 VanDerWaalsContact O-N 3.11Å; I228-A231 PolarHBondContact O-N 3.49Å; I228-L232 WeakPolarHBondContact O-CB 3.47Å; I228-L232 PolarHBondContact O-N 3.13Å; I228-F255 HydrophobicContact CG2-CB 3.79Å; I228-F255 HydrophobicContact CG2-CD1 4.22Å; I228-F255 HydrophobicContact CG2-CG 4.18Å; I228-Q258 HydrophobicContact CD1-CB 3.8Å; I228-L259 HydrophobicContact CB-CD2 3.95Å; I228-L259 HydrophobicContact CB-CG 4.24Å; I228-L259 HydrophobicContact CG2-CD1 4.21Å; I228-L259 HydrophobicContact CG2-CD2 4.05Å; I228-L259 HydrophobicContact CG2-CG 3.75Å
229	E	94.5	Very high	95.1	Very high	150 Å²	150	49.5 Å²	49.5	70%	0.701	24%	0.235	S	C	*	.	H	α-helix	trans	-63.1	-45.3	179.6	-62.9	178.7	167.9	0	0	111.9	E227 L232 E233 L259	E227-E229 VanDerWaalsContact C-N 3.32Å; E227-E229 PolarHBondContact O-N 3.29Å; E229-L232 WeakPolarHBondContact O-CB 3.37Å; E229-L232 PolarHBondContact O-N 2.94Å; E229-E233 PolarHBondContact O-N 3.37Å; E229-L259 HydrophobicContact CG-CD1 4.21Å; E229-L259 HydrophobicContact CG-CD2 3.59Å
230	R	95.9	Very high	95.1	Very high	75 Å²	75	57.8 Å²	57.8	28%	0.283	27%	0.271	S	S	.	.	H	α-helix	trans	-67.9	-40.2	175.7	-72.2	176	70.3	-147	-7.4	111.5	E191 I222 E227 L232 E233 Y234	E191-R230 IonicContact OE1-CZ 2.76Å; E191-R230 VanDerWaalsContact OE1-CZ 3.26Å; E191-R230 IonicContact OE1-NH1 3.2Å; E191-R230 PolarHBondContact OE1-NH1 3.28Å; E191-R230 IonicContact OE1-NH2 3.23Å; E191-R230 PolarHBondContact OE1-NH2 3.46Å; I222-R230 HydrophobicContact CG2-CB 3.71Å; E227-R230 HydrophobicContact CB-CB 4.43Å; E227-R230 VanDerWaalsContact CD-NH1 3.34Å; E227-R230 PolarHBondContact O-N 3.45Å; E227-R230 IonicContact OE1-NH1 3.18Å; E227-R230 PolarHBondContact OE1-NH1 3Å; E227-R230 WeakPolarHBondContact OE2-CD 3.36Å; E227-R230 IonicContact OE2-CZ 2.81Å; E227-R230 IonicContact OE2-NE 3.62Å; E227-R230 IonicContact OE2-NH1 3.75Å; E227-R230 PolarHBondContact OE2-NH1 2.82Å; R230-L232 VanDerWaalsContact C-N 3.26Å; R230-L232 PolarHBondContact O-N 3.26Å; R230-E233 WeakPolarHBondContact O-CB 3.4Å; R230-E233 PolarHBondContact O-N 3.32Å; R230-E233 VanDerWaalsContact O-N 3.16Å; R230-Y234 VanDerWaalsContact O-CD2 3.26Å; R230-Y234 WeakPolarHBondContact O-CD2 3.42Å; R230-Y234 PolarHBondContact O-N 3Å
231	A	95.6	Very high	95.1	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-58.3	-41.8	175.1	0	0	0	0	0	111.3	S219 I222 E227 I228 T235 F255	S219-A231 WeakPolarHBondContact O-CB 3.26Å; I222-A231 HydrophobicContact CB-CB 4.42Å; I222-A231 HydrophobicContact CG2-CB 4.08Å; E227-A231 PolarHBondContact O-N 2.93Å; I228-A231 PolarHBondContact O-N 3.49Å; A231-T235 WeakPolarHBondContact O-CB 3.35Å; A231-T235 PolarHBondContact O-N 3.35Å; A231-T235 PolarHBondContact O-OG1 3Å; A231-F255 HydrophobicContact CB-CD2 4.29Å; A231-F255 HydrophobicContact CB-CE2 3.92Å; A231-F255 HydrophobicContact CB-CZ 4.21Å
232	L	96.1	Very high	95.2	Very high	25 Å²	25	61 Å²	61	13%	0.131	29%	0.294	C	S	.	.	H	α-helix	trans	-62.8	-44.9	174	179.8	61.2	0	0	0	111.9	I228 E229 R230 Y234 T235 L236 V252 F255 E256 L259	I228-L232 WeakPolarHBondContact O-CB 3.47Å; I228-L232 PolarHBondContact O-N 3.13Å; E229-L232 WeakPolarHBondContact O-CB 3.37Å; E229-L232 PolarHBondContact O-N 2.94Å; R230-L232 VanDerWaalsContact C-N 3.26Å; R230-L232 PolarHBondContact O-N 3.26Å; L232-Y234 PolarHBondContact O-N 3.42Å; L232-T235 PolarHBondContact O-N 2.95Å; L232-L236 HydrophobicContact CD1-CD1 4.34Å; L232-L236 HydrophobicContact CD1-CG 4.21Å; L232-L236 HydrophobicContact CG-CD1 4.18Å; L232-L236 HydrophobicContact CG-CG 4.48Å; L232-L236 WeakPolarHBondContact O-CG 3.5Å; L232-L236 PolarHBondContact O-N 3.44Å; L232-V252 HydrophobicContact CD1-CB 4.26Å; L232-V252 HydrophobicContact CD1-CG1 3.99Å; L232-V252 HydrophobicContact CD1-CG2 4.13Å; L232-F255 HydrophobicContact CB-CB 4.31Å; L232-F255 HydrophobicContact CB-CD2 4.41Å; L232-F255 HydrophobicContact CD1-CB 4.35Å; L232-E256 HydrophobicContact CD1-CG 4.38Å; L232-E256 HydrophobicContact CD2-CG 4.15Å; L232-L259 HydrophobicContact CD2-CD1 4.01Å
233	E	96.4	Very high	95.3	Very high	130 Å²	130	64.7 Å²	64.7	61%	0.607	32%	0.317	S	S	*	.	H	α-helix	trans	-56.4	-50.1	177	-175.2	-177.3	177.8	0	0	112.2	E229 R230 T235 L236 R237	E229-E233 PolarHBondContact O-N 3.37Å; R230-E233 WeakPolarHBondContact O-CB 3.4Å; R230-E233 PolarHBondContact O-N 3.32Å; R230-E233 VanDerWaalsContact O-N 3.16Å; E233-T235 VanDerWaalsContact C-N 3.33Å; E233-T235 PolarHBondContact O-N 3.11Å; E233-L236 PolarHBondContact O-N 3.47Å; E233-R237 PolarHBondContact O-N 2.89Å
234	Y	96.5	Very high	95.2	Very high	48 Å²	48	68.6 Å²	68.6	19%	0.188	34%	0.337	C	S	.	.	H	α-helix	trans	-66	-34.4	177.7	-76.4	-71.3	0	0	0	112.5	L198 L215 L218 I222 R230 L232 R237 L238	L198-Y234 HydrophobicContact CD2-CD1 4.37Å; L198-Y234 HydrophobicContact CD2-CE1 3.97Å; L215-Y234 HydrophobicContact CD2-CD1 3.59Å; L215-Y234 HydrophobicContact CD2-CE1 4.42Å; L215-Y234 HydrophobicContact CD2-CG 4.41Å; L218-Y234 HydrophobicContact CD2-CD1 3.82Å; L218-Y234 HydrophobicContact CD2-CE1 3.65Å; L218-Y234 HydrophobicContact CD2-CE2 4.43Å; L218-Y234 HydrophobicContact CD2-CG 4.28Å; I222-Y234 HydrophobicContact CD1-CD2 3.39Å; I222-Y234 HydrophobicContact CD1-CE2 3.39Å; I222-Y234 HydrophobicContact CD1-CG 4.4Å; R230-Y234 VanDerWaalsContact O-CD2 3.26Å; R230-Y234 WeakPolarHBondContact O-CD2 3.42Å; R230-Y234 PolarHBondContact O-N 3Å; L232-Y234 PolarHBondContact O-N 3.42Å; Y234-R237 WeakPolarHBondContact O-CB 3.29Å; Y234-R237 PolarHBondContact O-N 2.78Å; Y234-L238 PolarHBondContact O-N 2.71Å
235	T	96.1	Very high	95.4	Very high	1 Å²	1	66.6 Å²	66.6	1%	0.006	33%	0.328	C	S	.	.	H	α-helix	trans	-67.1	-38.9	175.3	-52.8	0	0	0	0	111.7	A231 L232 E233 R237 L238 L239 A248 N251 V252 F255	A231-T235 WeakPolarHBondContact O-CB 3.35Å; A231-T235 PolarHBondContact O-N 3.35Å; A231-T235 PolarHBondContact O-OG1 3Å; L232-T235 PolarHBondContact O-N 2.95Å; E233-T235 VanDerWaalsContact C-N 3.33Å; E233-T235 PolarHBondContact O-N 3.11Å; T235-R237 VanDerWaalsContact C-N 3.34Å; T235-L238 WeakPolarHBondContact O-CB 3.44Å; T235-L238 PolarHBondContact O-N 3.07Å; T235-L239 PolarHBondContact O-N 3.05Å; T235-A248 HydrophobicContact CG2-CB 3.88Å; T235-N251 HydrophobicContact CG2-CB 4.01Å; T235-V252 HydrophobicContact CG2-CG2 3.61Å; T235-F255 WeakPolarHBondContact OG1-CE2 3.45Å
236	L	96.5	Very high	95.4	Very high	78 Å²	78	71.6 Å²	71.6	41%	0.408	35%	0.351	S	S	.	.	H	α-helix	trans	-67.2	-36.7	173.4	-69.8	172.9	0	0	0	111.4	L232 E233 L238 L239 K240 V252	L232-L236 HydrophobicContact CD1-CD1 4.34Å; L232-L236 HydrophobicContact CD1-CG 4.21Å; L232-L236 HydrophobicContact CG-CD1 4.18Å; L232-L236 HydrophobicContact CG-CG 4.48Å; L232-L236 WeakPolarHBondContact O-CG 3.5Å; L232-L236 PolarHBondContact O-N 3.44Å; E233-L236 PolarHBondContact O-N 3.47Å; L236-L238 VanDerWaalsContact C-N 3.33Å; L236-L239 PolarHBondContact O-N 3.23Å; L236-K240 WeakPolarHBondContact O-CG 3.2Å; L236-K240 PolarHBondContact O-N 2.87Å; L236-K240 VanDerWaalsContact O-N 3.11Å; L236-V252 HydrophobicContact CD2-CG1 4.46Å; L236-V252 HydrophobicContact CD2-CG2 4.08Å
237	R	96.5	Very high	95.5	Very high	81 Å²	81	76.7 Å²	76.7	31%	0.306	36%	0.355	S	S	.	.	H	α-helix	trans	-62.9	-40.3	172.7	-173.6	176.9	176.6	-173.2	-4.2	111.6	D202 L215 E233 Y234 T235 K240	D202-R237 IonicContact OD1-NH2 2.79Å; D202-R237 PolarHBondContact OD1-NH2 3.03Å; D202-R237 IonicContact OD2-CZ 3.92Å; D202-R237 IonicContact OD2-NH1 3.65Å; D202-R237 PolarHBondContact OD2-NH1 2.93Å; D202-R237 IonicContact OD2-NH2 2.7Å; D202-R237 PolarHBondContact OD2-NH2 3.45Å; L215-R237 HydrophobicContact CD1-CG 4.18Å; E233-R237 PolarHBondContact O-N 2.89Å; Y234-R237 WeakPolarHBondContact O-CB 3.29Å; Y234-R237 PolarHBondContact O-N 2.78Å; T235-R237 VanDerWaalsContact C-N 3.34Å; R237-K240 WeakPolarHBondContact O-CB 3.34Å; R237-K240 PolarHBondContact O-N 3.17Å
238	L	96.7	Very high	95.5	Very high	0 Å²	0	72.8 Å²	72.8	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-59.4	-49.9	173.9	-171.6	167.3	0	0	0	110.8	V212 L215 D216 Y234 T235 L236 K240 L241 D242 H245 A248	V212-L238 HydrophobicContact CG1-CD1 4.44Å; V212-L238 HydrophobicContact CG1-CD2 3.83Å; V212-L238 HydrophobicContact CG1-CG 3.95Å; L215-L238 HydrophobicContact CB-CB 3.99Å; L215-L238 HydrophobicContact CB-CD1 4.02Å; L215-L238 HydrophobicContact CB-CG 4.13Å; L215-L238 HydrophobicContact CD1-CB 4.2Å; D216-L238 HydrophobicContact CB-CD1 3.98Å; Y234-L238 PolarHBondContact O-N 2.71Å; T235-L238 WeakPolarHBondContact O-CB 3.44Å; T235-L238 PolarHBondContact O-N 3.07Å; L236-L238 VanDerWaalsContact C-N 3.33Å; L238-K240 PolarHBondContact O-N 3.13Å; L238-L241 WeakPolarHBondContact O-CB 3.49Å; L238-L241 PolarHBondContact O-N 3.29Å; L238-D242 PolarHBondContact O-N 3.01Å; L238-H245 HydrophobicContact CD2-CB 3.68Å; L238-A248 HydrophobicContact CD1-CB 4.32Å; L238-A248 HydrophobicContact CD2-CB 3.66Å; L238-A248 HydrophobicContact CG-CB 4.5Å
239	L	96.4	Very high	95.5	Very high	32 Å²	32	76.1 Å²	76.1	17%	0.168	35%	0.351	C	S	.	.	H	α-helix	trans	-65.7	-21.5	179.7	-72.8	173.4	0	0	0	114.3	T235 L236 L241 D242 P243 H245 A248 K249 V252	T235-L239 PolarHBondContact O-N 3.05Å; L236-L239 PolarHBondContact O-N 3.23Å; L239-L241 VanDerWaalsContact C-N 3.28Å; L239-D242 CarbonylContact O-C 3.51Å; L239-P243 VanDerWaalsContact O-CA 3.28Å; L239-P243 WeakPolarHBondContact O-CA 3.49Å; L239-H245 HydrophobicContact CD2-CB 4.29Å; L239-A248 HydrophobicContact CD1-CB 4.44Å; L239-A248 HydrophobicContact CD2-CB 3.72Å; L239-A248 HydrophobicContact CG-CB 3.86Å; L239-K249 HydrophobicContact CD2-CG 3.95Å; L239-V252 HydrophobicContact CD1-CG2 3.68Å
240	K	96.8	Very high	95.4	Very high	173 Å²	173	70.8 Å²	70.8	75%	0.752	34%	0.337	S	S	*	.	H	α-helix	trans	-69.1	-28.9	170.5	-73	172.9	-175.2	175.6	0	112.2	L236 R237 L238	L236-K240 WeakPolarHBondContact O-CG 3.2Å; L236-K240 PolarHBondContact O-N 2.87Å; L236-K240 VanDerWaalsContact O-N 3.11Å; R237-K240 WeakPolarHBondContact O-CB 3.34Å; R237-K240 PolarHBondContact O-N 3.17Å; L238-K240 PolarHBondContact O-N 3.13Å
241	L	95.6	Very high	95.3	Very high	91 Å²	91	68.9 Å²	68.9	48%	0.476	33%	0.332	S	S	.	.	H	α-helix	trans	-88.8	-43.1	179.1	-61.9	176.3	0	0	0	111.5	K211 V212 L215 L238 L239	K211-L241 HydrophobicContact CB-CD1 3.68Å; K211-L241 HydrophobicContact CD-CD1 4.42Å; V212-L241 HydrophobicContact CG2-CB 3.7Å; V212-L241 HydrophobicContact CG2-CD1 4.33Å; L215-L241 HydrophobicContact CD1-CD1 3.79Å; L238-L241 WeakPolarHBondContact O-CB 3.49Å; L238-L241 PolarHBondContact O-N 3.29Å; L239-L241 VanDerWaalsContact C-N 3.28Å
242	D	96.3	Very high	95.2	Very high	57 Å²	57	69.7 Å²	69.7	31%	0.305	34%	0.337	S	S	.	.			trans	-128.5	91.8	173.9	179	11	0	0	0	110.6	V212 L238 L239 E244 H245	V212-D242 HydrophobicContact CG1-CB 4.22Å; V212-D242 HydrophobicContact CG2-CB 3.97Å; L238-D242 PolarHBondContact O-N 3.01Å; L239-D242 CarbonylContact O-C 3.51Å; D242-E244 PolarHBondContact O-N 2.94Å; D242-E244 VanDerWaalsContact O-N 3.15Å; D242-E244 PolarHBondContact OD1-N 3.18Å; D242-H245 HydrophobicContact CB-CB 4.27Å; D242-H245 WeakPolarHBondContact O-CB 3.35Å; D242-H245 PolarHBondContact O-N 3.38Å; D242-H245 PolarHBondContact OD1-N 3.11Å; D242-H245 WeakPolarHBondContact OD2-CB 3.15Å; D242-H245 IonicContact OD2-CD2 2.68Å; D242-H245 IonicContact OD2-CG 3.58Å
243	P	95.8	Very high	95.1	Very high	77 Å²	77	75.8 Å²	75.8	50%	0.5	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-16.4	177.7	-24	34.5	0	0	0	114.1	L239 K249	L239-P243 VanDerWaalsContact O-CA 3.28Å; L239-P243 WeakPolarHBondContact O-CA 3.49Å; P243-K249 WeakPolarHBondContact O-CE 3.35Å; P243-K249 PolarHBondContact O-NZ 3.13Å
244	E	94.5	Very high	94.9	Very high	133 Å²	133	74.4 Å²	74.4	62%	0.621	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	2.3	-177.6	-69.2	-51.8	119.5	0	0	114.1	D242 Q246 K249	D242-E244 PolarHBondContact O-N 2.94Å; D242-E244 VanDerWaalsContact O-N 3.15Å; D242-E244 PolarHBondContact OD1-N 3.18Å; E244-Q246 PolarHBondContact O-N 3.46Å; E244-K249 IonicContact OE1-NZ 3.65Å; E244-K249 PolarHBondContact OE1-NZ 3.16Å; E244-K249 IonicContact OE2-NZ 2.73Å; E244-K249 PolarHBondContact OE2-NZ 3.45Å
245	H	95.2	Very high	94.8	Very high	38 Å²	38	72.3 Å²	72.3	18%	0.176	34%	0.344	C	S	.	.			trans	-62.4	103.1	-179.4	-160.8	-89.5	0	0	0	112.9	L238 L239 D242 R247 A248 K249	L238-H245 HydrophobicContact CD2-CB 3.68Å; L239-H245 HydrophobicContact CD2-CB 4.29Å; D242-H245 HydrophobicContact CB-CB 4.27Å; D242-H245 WeakPolarHBondContact O-CB 3.35Å; D242-H245 PolarHBondContact O-N 3.38Å; D242-H245 PolarHBondContact OD1-N 3.11Å; D242-H245 WeakPolarHBondContact OD2-CB 3.15Å; D242-H245 IonicContact OD2-CD2 2.68Å; D242-H245 IonicContact OD2-CG 3.58Å; H245-R247 PolarHBondContact O-N 3.49Å; H245-A248 HydrophobicContact CB-CB 4.06Å; H245-A248 WeakPolarHBondContact ND1-CB 3.47Å; H245-A248 PolarHBondContact ND1-N 3.11Å; H245-A248 PolarHBondContact O-N 3.24Å; H245-K249 PolarHBondContact O-N 2.94Å; H245-K249 VanDerWaalsContact O-N 3.14Å
246	Q	93	Very high	94.7	Very high	172 Å²	172	77.1 Å²	77.1	80%	0.804	37%	0.367	S	S	*	.	H	α-helix	trans	-59.1	-44.9	-171.4	-66.9	-175.2	-12.3	0	0	113.3	E244 A248 K249 G250	E244-Q246 PolarHBondContact O-N 3.46Å; Q246-A248 VanDerWaalsContact C-N 3.32Å; Q246-A248 PolarHBondContact O-N 2.93Å; Q246-K249 PolarHBondContact O-N 3.11Å; Q246-G250 PolarHBondContact O-N 3.03Å
247	R	93.3	Very high	94.5	Very high	157 Å²	157	79.6 Å²	79.6	59%	0.592	38%	0.375	S	S	*	.	H	α-helix	trans	-64.7	-38	-179.4	-170.4	-176	-62.7	167.4	-0.9	111.6	D216 H245 G250 N251	D216-R247 IonicContact OD2-CZ 2.94Å; D216-R247 IonicContact OD2-NH1 2.84Å; D216-R247 PolarHBondContact OD2-NH1 2.93Å; H245-R247 PolarHBondContact O-N 3.49Å; R247-G250 PolarHBondContact O-N 3.31Å; R247-N251 PolarHBondContact O-N 3.16Å; R247-N251 PolarHBondContact O-OD1 3.37Å
248	A	93.7	Very high	94.3	Very high	0 Å²	0	77.5 Å²	77.5	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-72.5	-39.5	-177.1	0	0	0	0	0	111.1	T235 L238 L239 H245 Q246 G250 N251 V252	T235-A248 HydrophobicContact CG2-CB 3.88Å; L238-A248 HydrophobicContact CD1-CB 4.32Å; L238-A248 HydrophobicContact CD2-CB 3.66Å; L238-A248 HydrophobicContact CG-CB 4.5Å; L239-A248 HydrophobicContact CD1-CB 4.44Å; L239-A248 HydrophobicContact CD2-CB 3.72Å; L239-A248 HydrophobicContact CG-CB 3.86Å; H245-A248 HydrophobicContact CB-CB 4.06Å; H245-A248 WeakPolarHBondContact ND1-CB 3.47Å; H245-A248 PolarHBondContact ND1-N 3.11Å; H245-A248 PolarHBondContact O-N 3.24Å; Q246-A248 VanDerWaalsContact C-N 3.32Å; Q246-A248 PolarHBondContact O-N 2.93Å; A248-G250 PolarHBondContact O-N 3.25Å; A248-N251 PolarHBondContact O-N 2.89Å; A248-V252 WeakPolarHBondContact O-CG2 3.17Å; A248-V252 PolarHBondContact O-N 3.44Å
249	K	94.3	Very high	94	Very high	80 Å²	80	79.3 Å²	79.3	35%	0.348	38%	0.378	S	S	.	.	H	α-helix	trans	-56.3	-39.6	170.6	-69.1	-178.9	-176.3	177.9	0	111.9	L239 P243 E244 H245 Q246	L239-K249 HydrophobicContact CD2-CG 3.95Å; P243-K249 WeakPolarHBondContact O-CE 3.35Å; P243-K249 PolarHBondContact O-NZ 3.13Å; E244-K249 IonicContact OE1-NZ 3.65Å; E244-K249 PolarHBondContact OE1-NZ 3.16Å; E244-K249 IonicContact OE2-NZ 2.73Å; E244-K249 PolarHBondContact OE2-NZ 3.45Å; H245-K249 PolarHBondContact O-N 2.94Å; H245-K249 VanDerWaalsContact O-N 3.14Å; Q246-K249 PolarHBondContact O-N 3.11Å
250	G	92.7	Very high	93.8	Very high	39 Å²	39	81 Å²	81	40%	0.402	39%	0.385	S	S	.	.	H	α-helix	trans	-67.6	-47.2	174.6	0	0	0	0	0	112.7	Q246 R247 A248 V252 K253 Y254	Q246-G250 PolarHBondContact O-N 3.03Å; R247-G250 PolarHBondContact O-N 3.31Å; A248-G250 PolarHBondContact O-N 3.25Å; G250-V252 PolarHBondContact O-N 2.86Å; G250-K253 PolarHBondContact O-N 3.24Å; G250-Y254 PolarHBondContact O-N 3.27Å; G250-Y254 VanDerWaalsContact O-N 3.11Å
251	N	93.5	Very high	93.5	Very high	35 Å²	35	78.9 Å²	78.9	19%	0.187	38%	0.375	C	S	.	.	H	α-helix	trans	-60.9	-41.9	-179.3	-71.5	-4.5	0	0	0	112.5	T235 R247 A248 K253 Y254 F255	T235-N251 HydrophobicContact CG2-CB 4.01Å; R247-N251 PolarHBondContact O-N 3.16Å; R247-N251 PolarHBondContact O-OD1 3.37Å; A248-N251 PolarHBondContact O-N 2.89Å; N251-K253 PolarHBondContact O-N 2.9Å; N251-Y254 PolarHBondContact O-N 2.71Å; N251-F255 HydrophobicContact CB-CD2 4.33Å; N251-F255 HydrophobicContact CB-CE2 3.85Å; N251-F255 HydrophobicContact CB-CZ 4.08Å; N251-F255 WeakPolarHBondContact O-CB 3.41Å; N251-F255 WeakPolarHBondContact O-CD2 3.41Å; N251-F255 WeakPolarHBondContact O-CG 3.4Å; N251-F255 PolarHBondContact O-N 3.4Å
252	V	94.3	Very high	93.2	Very high	16 Å²	16	79.4 Å²	79.4	10%	0.097	38%	0.376	C	S	.	.	H	α-helix	trans	-55	-53.8	176.5	169.3	0	0	0	0	111.2	L232 T235 L236 L239 A248 G250 Y254 F255 E256	L232-V252 HydrophobicContact CD1-CB 4.26Å; L232-V252 HydrophobicContact CD1-CG1 3.99Å; L232-V252 HydrophobicContact CD1-CG2 4.13Å; T235-V252 HydrophobicContact CG2-CG2 3.61Å; L236-V252 HydrophobicContact CD2-CG1 4.46Å; L236-V252 HydrophobicContact CD2-CG2 4.08Å; L239-V252 HydrophobicContact CD1-CG2 3.68Å; A248-V252 WeakPolarHBondContact O-CG2 3.17Å; A248-V252 PolarHBondContact O-N 3.44Å; G250-V252 PolarHBondContact O-N 2.86Å; V252-Y254 PolarHBondContact O-N 3.17Å; V252-F255 PolarHBondContact O-N 3.47Å; V252-E256 HydrophobicContact CG1-CG 4.36Å; V252-E256 WeakPolarHBondContact O-CB 3.12Å; V252-E256 WeakPolarHBondContact O-CG 3.22Å; V252-E256 PolarHBondContact O-N 3.32Å
253	K	93.1	Very high	92.9	Very high	154 Å²	154	83.2 Å²	83.2	67%	0.67	39%	0.385	S	S	*	.	H	α-helix	trans	-59	-39	179.6	-67.1	177.3	-179.5	178	0	111.7	G250 N251 F257	G250-K253 PolarHBondContact O-N 3.24Å; N251-K253 PolarHBondContact O-N 2.9Å; K253-F257 WeakPolarHBondContact O-CB 3.38Å; K253-F257 PolarHBondContact O-N 3.07Å; K253-F257 VanDerWaalsContact O-N 3.11Å
254	Y	93.1	Very high	92.6	Very high	100 Å²	100	84.9 Å²	84.9	39%	0.392	39%	0.385	S	S	.	.	H	α-helix	trans	-68.7	-46	179.3	-178.1	-96.8	0	0	0	112.2	Y223 G250 N251 V252 F257 Q258	Y223-Y254 AromaticContact CE2-CE1 3.98Å; Y223-Y254 HydrophobicContact CE2-CE1 3.98Å; Y223-Y254 AromaticContact CZ-CE1 3.76Å; Y223-Y254 WeakPolarHBondContact OH-CE1 3.05Å; Y223-Y254 PolarHBondContact OH-OH 2.98Å; G250-Y254 PolarHBondContact O-N 3.27Å; G250-Y254 VanDerWaalsContact O-N 3.11Å; N251-Y254 PolarHBondContact O-N 2.71Å; V252-Y254 PolarHBondContact O-N 3.17Å; Y254-F257 PolarHBondContact O-N 3.45Å; Y254-Q258 HydrophobicContact CD1-CG 4.34Å; Y254-Q258 HydrophobicContact CE1-CG 3.91Å; Y254-Q258 WeakPolarHBondContact O-CG 3.39Å; Y254-Q258 PolarHBondContact O-N 3.35Å; Y254-Q258 PolarHBondContact OH-NE2 3.3Å
255	F	94.4	Very high	92.2	Very high	4 Å²	4	80.9 Å²	80.9	2%	0.018	37%	0.374	C	S	.	.	H	α-helix	trans	-65.8	-43.5	178.5	-63.1	-24.4	0	0	0	111.9	Y223 I228 A231 L232 T235 N251 V252 F257 Q258 L259	Y223-F255 HydrophobicContact CD1-CE1 4.15Å; Y223-F255 AromaticContact CD2-CD1 3.73Å; Y223-F255 HydrophobicContact CD2-CD1 3.73Å; Y223-F255 AromaticContact CD2-CE1 3.27Å; Y223-F255 HydrophobicContact CD2-CE1 3.27Å; Y223-F255 HydrophobicContact CD2-CZ 4.1Å; Y223-F255 HydrophobicContact CE2-CD1 4.08Å; Y223-F255 AromaticContact CE2-CE1 3.81Å; Y223-F255 HydrophobicContact CE2-CE1 3.81Å; Y223-F255 HydrophobicContact CG-CD1 4.37Å; Y223-F255 AromaticContact CG-CE1 3.47Å; Y223-F255 HydrophobicContact CG-CE1 3.47Å; Y223-F255 VanDerWaalsContact CG-CE1 3.47Å; Y223-F255 AromaticContact CG-CZ 3.92Å; Y223-F255 HydrophobicContact CG-CZ 3.92Å; I228-F255 HydrophobicContact CG2-CB 3.79Å; I228-F255 HydrophobicContact CG2-CD1 4.22Å; I228-F255 HydrophobicContact CG2-CG 4.18Å; A231-F255 HydrophobicContact CB-CD2 4.29Å; A231-F255 HydrophobicContact CB-CE2 3.92Å; A231-F255 HydrophobicContact CB-CZ 4.21Å; L232-F255 HydrophobicContact CB-CB 4.31Å; L232-F255 HydrophobicContact CB-CD2 4.41Å; L232-F255 HydrophobicContact CD1-CB 4.35Å; T235-F255 WeakPolarHBondContact OG1-CE2 3.45Å; N251-F255 HydrophobicContact CB-CD2 4.33Å; N251-F255 HydrophobicContact CB-CE2 3.85Å; N251-F255 HydrophobicContact CB-CZ 4.08Å; N251-F255 WeakPolarHBondContact O-CB 3.41Å; N251-F255 WeakPolarHBondContact O-CD2 3.41Å; N251-F255 WeakPolarHBondContact O-CG 3.4Å; N251-F255 PolarHBondContact O-N 3.4Å; V252-F255 PolarHBondContact O-N 3.47Å; F255-F257 VanDerWaalsContact C-N 3.31Å; F255-F257 PolarHBondContact O-N 2.85Å; F255-Q258 PolarHBondContact O-N 2.92Å; F255-L259 WeakPolarHBondContact O-CG 3.39Å; F255-L259 PolarHBondContact O-N 3.22Å
256	E	92.8	Very high	91.6	Very high	103 Å²	103	81.9 Å²	81.9	48%	0.481	39%	0.389	S	S	.	.	H	α-helix	trans	-58.1	-43.4	173.5	-72.8	176.2	161.8	0	0	111.7	L232 V252 L259 E260	L232-E256 HydrophobicContact CD1-CG 4.38Å; L232-E256 HydrophobicContact CD2-CG 4.15Å; V252-E256 HydrophobicContact CG1-CG 4.36Å; V252-E256 WeakPolarHBondContact O-CB 3.12Å; V252-E256 WeakPolarHBondContact O-CG 3.22Å; V252-E256 PolarHBondContact O-N 3.32Å; E256-L259 PolarHBondContact O-N 3.48Å; E256-E260 PolarHBondContact O-N 2.87Å
257	F	93.1	Very high	91.2	Very high	130 Å²	130	77.8 Å²	77.8	57%	0.57	37%	0.37	S	S	*	.	H	α-helix	trans	-62.2	-42.9	175.8	173.8	-98.9	0	0	0	112.5	K253 Y254 F255 E260 K261	K253-F257 WeakPolarHBondContact O-CB 3.38Å; K253-F257 PolarHBondContact O-N 3.07Å; K253-F257 VanDerWaalsContact O-N 3.11Å; Y254-F257 PolarHBondContact O-N 3.45Å; F255-F257 VanDerWaalsContact C-N 3.31Å; F255-F257 PolarHBondContact O-N 2.85Å; F257-E260 PolarHBondContact O-N 2.87Å; F257-K261 WeakPolarHBondContact O-CB 3.49Å; F257-K261 PolarHBondContact O-N 3.16Å
258	Q	91.2	Very high	90.6	Very high	37 Å²	37	76.4 Å²	76.4	17%	0.173	37%	0.371	C	S	.	.	H	α-helix	trans	-66.4	-41.2	177.8	-69.3	-65.8	-13.1	0	0	112.3	I228 Y254 F255 K261 Q262	I228-Q258 HydrophobicContact CD1-CB 3.8Å; Y254-Q258 HydrophobicContact CD1-CG 4.34Å; Y254-Q258 HydrophobicContact CE1-CG 3.91Å; Y254-Q258 WeakPolarHBondContact O-CG 3.39Å; Y254-Q258 PolarHBondContact O-N 3.35Å; Y254-Q258 PolarHBondContact OH-NE2 3.3Å; F255-Q258 PolarHBondContact O-N 2.92Å; Q258-K261 WeakPolarHBondContact O-CB 3.34Å; Q258-K261 PolarHBondContact O-N 2.81Å; Q258-Q262 WeakPolarHBondContact O-CG 3.29Å; Q258-Q262 PolarHBondContact O-N 3.36Å
259	L	91.9	Very high	89.8	Confident	38 Å²	38	80.1 Å²	80.1	20%	0.199	39%	0.393	C	S	.	.	H	α-helix	trans	-62	-43.7	175.6	-73.7	170.6	0	0	0	111.4	I228 E229 L232 F255 E256 K261 Q262 R263	I228-L259 HydrophobicContact CB-CD2 3.95Å; I228-L259 HydrophobicContact CB-CG 4.24Å; I228-L259 HydrophobicContact CG2-CD1 4.21Å; I228-L259 HydrophobicContact CG2-CD2 4.05Å; I228-L259 HydrophobicContact CG2-CG 3.75Å; E229-L259 HydrophobicContact CG-CD1 4.21Å; E229-L259 HydrophobicContact CG-CD2 3.59Å; L232-L259 HydrophobicContact CD2-CD1 4.01Å; F255-L259 WeakPolarHBondContact O-CG 3.39Å; F255-L259 PolarHBondContact O-N 3.22Å; E256-L259 PolarHBondContact O-N 3.48Å; L259-K261 VanDerWaalsContact C-N 3.29Å; L259-K261 PolarHBondContact O-N 2.69Å; L259-Q262 PolarHBondContact O-N 3.33Å; L259-R263 WeakPolarHBondContact O-CB 3.5Å; L259-R263 PolarHBondContact O-N 3.3Å
260	E	91.4	Very high	88.9	Confident	67 Å²	67	78.6 Å²	78.6	31%	0.313	40%	0.396	S	S	.	.	H	α-helix	trans	-62.3	-39.3	176.5	-175.5	59.3	-159.8	0	0	111.7	E256 F257 R263 K264	E256-E260 PolarHBondContact O-N 2.87Å; F257-E260 PolarHBondContact O-N 2.87Å; E260-R263 PolarHBondContact O-N 3.41Å; E260-R263 IonicContact OE1-CZ 3.73Å; E260-R263 IonicContact OE1-NE 3.6Å; E260-R263 IonicContact OE1-NH2 3.01Å; E260-R263 PolarHBondContact OE1-NH2 3.16Å; E260-R263 IonicContact OE2-CZ 3.95Å; E260-R263 IonicContact OE2-NE 4Å; E260-R263 PolarHBondContact OE2-NE 3.44Å; E260-R263 IonicContact OE2-NH2 2.89Å; E260-R263 PolarHBondContact OE2-NH2 3.32Å; E260-K264 WeakPolarHBondContact O-CG 3.22Å; E260-K264 PolarHBondContact O-N 2.85Å; E260-K264 WeakPolarHBondContact OE1-CE 3.27Å; E260-K264 IonicContact OE1-NZ 3.62Å
261	K	90.8	Very high	87.8	Confident	128 Å²	128	84.6 Å²	84.6	56%	0.557	41%	0.406	S	S	*	.	H	α-helix	trans	-64	-44.4	175	-171.9	-174	-180	-172.6	0	111.7	F257 Q258 L259 K264 A265	F257-K261 WeakPolarHBondContact O-CB 3.49Å; F257-K261 PolarHBondContact O-N 3.16Å; Q258-K261 WeakPolarHBondContact O-CB 3.34Å; Q258-K261 PolarHBondContact O-N 2.81Å; L259-K261 VanDerWaalsContact C-N 3.29Å; L259-K261 PolarHBondContact O-N 2.69Å; K261-K264 PolarHBondContact O-N 3.49Å; K261-A265 WeakPolarHBondContact O-CB 3.34Å; K261-A265 PolarHBondContact O-N 3.29Å
262	Q	89.3	Confident	86.3	Confident	103 Å²	103	86.6 Å²	86.6	48%	0.481	42%	0.42	S	S	.	.	H	α-helix	trans	-62.8	-42.1	176.3	-75.5	-177.5	-10.5	0	0	111.6	Q258 L259 A265 A266	Q258-Q262 WeakPolarHBondContact O-CG 3.29Å; Q258-Q262 PolarHBondContact O-N 3.36Å; L259-Q262 PolarHBondContact O-N 3.33Å; Q262-A265 PolarHBondContact O-N 3Å; Q262-A266 WeakPolarHBondContact O-CB 3.32Å; Q262-A266 PolarHBondContact O-N 3.32Å
263	R	89.3	Confident	84.6	Confident	136 Å²	136	92.5 Å²	92.5	51%	0.513	45%	0.446	S	S	.	.	H	α-helix	trans	-60.7	-48.1	176.8	-170.3	178.3	69.9	161.3	3.1	111.8	L259 E260 A265 A266 E267	L259-R263 WeakPolarHBondContact O-CB 3.5Å; L259-R263 PolarHBondContact O-N 3.3Å; E260-R263 PolarHBondContact O-N 3.41Å; E260-R263 IonicContact OE1-CZ 3.73Å; E260-R263 IonicContact OE1-NE 3.6Å; E260-R263 IonicContact OE1-NH2 3.01Å; E260-R263 PolarHBondContact OE1-NH2 3.16Å; E260-R263 IonicContact OE2-CZ 3.95Å; E260-R263 IonicContact OE2-NE 4Å; E260-R263 PolarHBondContact OE2-NE 3.44Å; E260-R263 IonicContact OE2-NH2 2.89Å; E260-R263 PolarHBondContact OE2-NH2 3.32Å; R263-A265 PolarHBondContact O-N 3.08Å; R263-A266 PolarHBondContact O-N 2.96Å; R263-E267 WeakPolarHBondContact O-CG 3.04Å; R263-E267 PolarHBondContact O-N 3.41Å
264	K	89.5	Confident	82.8	Confident	113 Å²	113	92.7 Å²	92.7	49%	0.491	45%	0.45	S	S	.	.	H	α-helix	trans	-60.8	-43.6	176.9	-73.4	178.4	-179	176.5	0	112.5	E260 K261 A266 E267 E268	E260-K264 WeakPolarHBondContact O-CG 3.22Å; E260-K264 PolarHBondContact O-N 2.85Å; E260-K264 WeakPolarHBondContact OE1-CE 3.27Å; E260-K264 IonicContact OE1-NZ 3.62Å; K261-K264 PolarHBondContact O-N 3.49Å; K264-A266 VanDerWaalsContact C-N 3.33Å; K264-A266 PolarHBondContact O-N 3.29Å; K264-E267 PolarHBondContact O-N 3.14Å; K264-E268 WeakPolarHBondContact O-CG 3.31Å; K264-E268 PolarHBondContact O-N 2.87Å
265	A	85.6	Confident	80.9	Confident	48 Å²	48	95.9 Å²	95.9	40%	0.397	47%	0.468	S	S	.	.	H	α-helix	trans	-63.7	-39	176.3	0	0	0	0	0	112.2	K261 Q262 R263 E268 T269	K261-A265 WeakPolarHBondContact O-CB 3.34Å; K261-A265 PolarHBondContact O-N 3.29Å; Q262-A265 PolarHBondContact O-N 3Å; R263-A265 PolarHBondContact O-N 3.08Å; A265-E268 PolarHBondContact O-N 3.4Å; A265-T269 WeakPolarHBondContact O-CB 3.49Å; A265-T269 PolarHBondContact O-N 3.33Å; A265-T269 PolarHBondContact O-OG1 3.48Å
266	A	84	Confident	78.8	Confident	59 Å²	59	106 Å²	106	49%	0.488	51%	0.506	S	S	.	.	H	α-helix	trans	-65.8	-41.7	175.2	0	0	0	0	0	111.9	Q262 R263 K264 T269 A270	Q262-A266 WeakPolarHBondContact O-CB 3.32Å; Q262-A266 PolarHBondContact O-N 3.32Å; R263-A266 PolarHBondContact O-N 2.96Å; K264-A266 VanDerWaalsContact C-N 3.33Å; K264-A266 PolarHBondContact O-N 3.29Å; A266-T269 PolarHBondContact O-N 3.04Å; A266-A270 WeakPolarHBondContact O-CB 3.43Å; A266-A270 PolarHBondContact O-N 3.38Å
267	E	83.9	Confident	76.6	Confident	86 Å²	86	104.1 Å²	104.1	40%	0.402	52%	0.515	S	S	.	.	H	α-helix	trans	-62.8	-42.5	174.9	-73.9	175.4	-168.6	0	0	112.3	R263 K264 A270 R271	R263-E267 WeakPolarHBondContact O-CG 3.04Å; R263-E267 PolarHBondContact O-N 3.41Å; K264-E267 PolarHBondContact O-N 3.14Å; E267-A270 PolarHBondContact O-N 2.89Å; E267-R271 VanDerWaalsContact O-CG 3.27Å; E267-R271 WeakPolarHBondContact O-CG 3.39Å; E267-R271 PolarHBondContact O-N 3.1Å
268	E	80.4	Confident	74.3	Confident	129 Å²	129	107.3 Å²	107.3	60%	0.603	53%	0.528	S	S	*	.	H	α-helix	trans	-63.7	-41.5	174	-75.6	177.6	175.1	0	0	111.9	K264 A265 R271 T272	K264-E268 WeakPolarHBondContact O-CG 3.31Å; K264-E268 PolarHBondContact O-N 2.87Å; A265-E268 PolarHBondContact O-N 3.4Å; E268-R271 PolarHBondContact O-N 3.06Å; E268-T272 PolarHBondContact O-N 3.02Å; E268-T272 PolarHBondContact O-OG1 3.35Å
269	T	77.6	Confident	72	Confident	77 Å²	77	116.8 Å²	116.8	47%	0.472	56%	0.562	S	S	.	*	H	α-helix	trans	-67.1	-39.9	177.8	-49.4	0	0	0	0	111.5	A265 A266 T272 Q273	A265-T269 WeakPolarHBondContact O-CB 3.49Å; A265-T269 PolarHBondContact O-N 3.33Å; A265-T269 PolarHBondContact O-OG1 3.48Å; A266-T269 PolarHBondContact O-N 3.04Å; T269-T272 PolarHBondContact O-N 3.31Å; T269-Q273 PolarHBondContact O-N 2.94Å
270	A	75.2	Confident	69.4	Low	49 Å²	49	121.7 Å²	121.7	41%	0.405	59%	0.589	S	S	.	*	H	α-helix	trans	-63.9	-43.7	175.5	0	0	0	0	0	111.6	A266 E267 T272 Q273 E274	A266-A270 WeakPolarHBondContact O-CB 3.43Å; A266-A270 PolarHBondContact O-N 3.38Å; E267-A270 PolarHBondContact O-N 2.89Å; A270-T272 VanDerWaalsContact C-N 3.29Å; A270-T272 PolarHBondContact O-N 3.06Å; A270-Q273 PolarHBondContact O-N 2.03Å; A270-E274 PolarHBondContact O-N 2.79Å
271	R	69.6	Low	67	Low	164 Å²	164	125.3 Å²	125.3	62%	0.619	62%	0.616	S	S	*	*	H	α-helix	trans	-59.8	-39.5	173.4	-72.6	172.9	-174.2	-176.7	5.9	112.1	E267 E268 E274 E275	E267-R271 VanDerWaalsContact O-CG 3.27Å; E267-R271 WeakPolarHBondContact O-CG 3.39Å; E267-R271 PolarHBondContact O-N 3.1Å; E268-R271 PolarHBondContact O-N 3.06Å; R271-E274 PolarHBondContact O-N 3.49Å; R271-E275 PolarHBondContact O-N 3.06Å; R271-E275 VanDerWaalsContact O-N 3.14Å
272	T	60.9	Low	64.3	Low	78 Å²	78	123.3 Å²	123.3	48%	0.479	62%	0.618	S	S	.	*	H	α-helix	trans	-72.5	-30	178.5	-41.8	0	0	0	0	112.7	E268 T269 A270 R276	E268-T272 PolarHBondContact O-N 3.02Å; E268-T272 PolarHBondContact O-OG1 3.35Å; T269-T272 PolarHBondContact O-N 3.31Å; A270-T272 VanDerWaalsContact C-N 3.29Å; A270-T272 PolarHBondContact O-N 3.06Å; T272-R276 PolarHBondContact O-N 3.31Å
273	Q	60.4	Low	61.9	Low	139 Å²	139	127 Å²	127	65%	0.65	64%	0.635	S	S	*	*	H	α-helix	trans	-77.6	-34.9	173.8	-76.7	-173.8	-4.4	0	0	112.6	T269 A270 E275 R276 G277	T269-Q273 PolarHBondContact O-N 2.94Å; A270-Q273 PolarHBondContact O-N 2.03Å; Q273-E275 VanDerWaalsContact C-N 3.31Å; Q273-E275 PolarHBondContact O-N 2.6Å; Q273-R276 CarbonylContact O-C 3.45Å; Q273-R276 PolarHBondContact O-N 3.04Å; Q273-G277 PolarHBondContact O-N 3.38Å
274	E	54.8	Low	59.1	Low	158 Å²	158	129.7 Å²	129.7	74%	0.738	65%	0.651	S	S	*	*	H	α-helix	trans	-63.5	-35.2	170.6	-81.8	-174.1	146.6	0	0	112	A270 R271 R276 G277	A270-E274 PolarHBondContact O-N 2.79Å; R271-E274 PolarHBondContact O-N 3.49Å; E274-R276 VanDerWaalsContact C-N 3.33Å; E274-R276 PolarHBondContact O-N 3.25Å; E274-G277 PolarHBondContact O-N 2.97Å
275	E	52.7	Low	56.5	Low	168 Å²	168	134.6 Å²	134.6	79%	0.785	67%	0.672	S	S	*	*	H	α-helix	trans	-69.3	-26.5	172.9	-76	-174.3	165.4	0	0	113.6	R271 Q273	R271-E275 PolarHBondContact O-N 3.06Å; R271-E275 VanDerWaalsContact O-N 3.14Å; Q273-E275 VanDerWaalsContact C-N 3.31Å; Q273-E275 PolarHBondContact O-N 2.6Å
276	R	49.6	Very low	53.9	Low	215 Å²	215	141 Å²	141	81%	0.811	69%	0.691	S	S	*	*	H	α-helix	trans	-90.4	-8.5	174.3	-86.2	179.8	169.1	175.1	-1.8	114.3	T272 Q273 E274 K278	T272-R276 PolarHBondContact O-N 3.31Å; Q273-R276 CarbonylContact O-C 3.45Å; Q273-R276 PolarHBondContact O-N 3.04Å; E274-R276 VanDerWaalsContact C-N 3.33Å; E274-R276 PolarHBondContact O-N 3.25Å; R276-K278 PolarHBondContact O-N 3.34Å
277	G	47.1	Very low	51.5	Low	64 Å²	64	146.9 Å²	146.9	66%	0.66	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	10.7	-177.4	0	0	0	0	0	116.8	Q273 E274	Q273-G277 PolarHBondContact O-N 3.38Å; E274-G277 PolarHBondContact O-N 2.97Å
278	K	45.5	Very low	49	Very low	198 Å²	198	152.6 Å²	152.6	86%	0.861	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.7	9.7	177.5	-94.6	-175.1	-178.7	175.1	0	116.3	R276	R276-K278 PolarHBondContact O-N 3.34Å
279	R	42.8	Very low	46.7	Very low	235 Å²	235	155.2 Å²	155.2	89%	0.887	74%	0.741	S	S	*	*	S	Bend	trans	-150.4	89.6	167.5	-70	-174	-174.1	162	1.9	110.7
280	D	37.7	Very low	44.8	Very low	141 Å²	141	160.8 Å²	160.8	75%	0.754	76%	0.762	S	S	*	*				177.9	105.4	115.7	-131.9	-32.7	0	0	0	109.7	S282	D280-S282 PolarHBondContact OD1-OG 2.98Å
281	T	40.5	Very low	42.9	Very low	143 Å²	143	167.3 Å²	167.3	88%	0.877	78%	0.781	S	S	*	*			trans	-93.9	92.6	157.3	42.9	0	0	0	0	107.2
282	S	33.8	Very low	41.6	Very low	87 Å²	87	166 Å²	166	61%	0.608	79%	0.787	S	S	*	*			trans	-166.4	121.6	153.1	51.6	0	0	0	0	112.4	D280	D280-S282 PolarHBondContact OD1-OG 2.98Å
283	E	37.9	Very low	40.8	Very low	181 Å²	181	166.9 Å²	166.9	85%	0.846	80%	0.796	S	S	*	*			trans	36.6	118.9	144.9	-60.9	-173.9	150.1	0	0	120.3
284	K	31.7	Very low	40.2	Very low	192 Å²	192	162.2 Å²	162.2	84%	0.835	77%	0.773	S	S	*	*				-167.9	101	113.4	-99.4	153.6	-167.6	174.1	0	111.8	K286	K284-K286 PolarHBondContact O-N 3.31Å
285	K	34.5	Very low	39.9	Very low	215 Å²	215	159 Å²	159	94%	0.935	77%	0.768	S	S	*	*			trans	-63.4	98.6	153.3	-86.3	178.7	174.8	173.5	0	108.1	Q287	K285-Q287 PolarHBondContact O-N 2.96Å
286	K	31.5	Very low	39.8	Very low	183 Å²	183	159 Å²	159	80%	0.796	77%	0.77	S	S	*	*			trans	-83.4	102	163.3	-85.3	-177	177.1	176.7	0	108.7	K284 K288	K284-K286 PolarHBondContact O-N 3.31Å; K286-K288 PolarHBondContact O-N 3.48Å
287	Q	33.5	Very low	40.3	Very low	182 Å²	182	150.8 Å²	150.8	85%	0.85	74%	0.742	S	S	*	*			trans	-58.4	106.4	155.7	-80.3	178.1	-5.4	0	0	108	K285 K289	K285-Q287 PolarHBondContact O-N 2.96Å; Q287-K289 PolarHBondContact O-N 2.92Å
288	K	32.1	Very low	41.9	Very low	207 Å²	207	151.5 Å²	151.5	90%	0.9	74%	0.735	S	S	*	*			trans	-68.7	96.3	163.9	-101.1	179.5	174.1	176.6	0	107.3	K286 Q290	K286-K288 PolarHBondContact O-N 3.48Å; K288-Q290 PolarHBondContact O-N 2.8Å; K288-Q290 VanDerWaalsContact O-N 3.11Å
289	K	31.9	Very low	43.6	Very low	184 Å²	184	145.1 Å²	145.1	80%	0.8	71%	0.708	S	S	*	*			trans	-59.3	110.4	158.5	-90.1	178.1	174.9	172.3	0	107.3	Q287 K291	Q287-K289 PolarHBondContact O-N 2.92Å; K289-K291 VanDerWaalsContact C-N 3.29Å; K289-K291 PolarHBondContact O-N 3.44Å
290	Q	36.5	Very low	45.4	Very low	194 Å²	194	141.4 Å²	141.4	91%	0.907	69%	0.694	S	S	*	*			trans	-58.9	93.1	160.2	-99.3	172.7	-6.8	0	0	108	K288	K288-Q290 PolarHBondContact O-N 2.8Å; K288-Q290 VanDerWaalsContact O-N 3.11Å
291	K	36.1	Very low	47.7	Very low	186 Å²	186	140.6 Å²	140.6	81%	0.809	68%	0.684	S	S	*	*			trans	-137.2	117	161.5	-101.9	-175.9	174.3	-175.2	0	107.9	K289	K289-K291 VanDerWaalsContact C-N 3.29Å; K289-K291 PolarHBondContact O-N 3.44Å
292	N	41.3	Very low	50	Low	137 Å²	137	135 Å²	135	73%	0.733	65%	0.647	S	S	*	*			trans	59.9	67.6	177.4	-70	1.7	0	0	0	117	F294	N292-F294 PolarHBondContact O-N 2.97Å
293	S	44.3	Very low	52.7	Low	96 Å²	96	131.3 Å²	131.3	67%	0.671	62%	0.62	S	S	*	*			trans	-74.2	-9.6	166.1	66.1	0	0	0	0	113.8	I297	S293-I297 WeakPolarHBondContact O-CG1 3.48Å
294	F	48.9	Very low	55.2	Low	41 Å²	41	124 Å²	124	18%	0.18	59%	0.586	C	S	.	*	S	Bend	trans	-78	-30.1	-176.1	-160	-103.7	0	0	0	113.1	N292 M296 I297 K302 L312 P483	N292-F294 PolarHBondContact O-N 2.97Å; F294-M296 VanDerWaalsContact C-N 3.32Å; F294-M296 PolarHBondContact O-N 3.34Å; F294-I297 HydrophobicContact CD2-CD1 4.36Å; F294-K302 HydrophobicContact CD1-CD 4.36Å; F294-K302 HydrophobicContact CE1-CD 3.79Å; F294-K302 HydrophobicContact CE1-CG 4.34Å; F294-K302 HydrophobicContact CE2-CG 4.24Å; F294-K302 HydrophobicContact CZ-CB 4.29Å; F294-K302 HydrophobicContact CZ-CD 3.89Å; F294-K302 HydrophobicContact CZ-CG 3.96Å; F294-K302 WeakPolarHBondContact O-CE 3.4Å; F294-K302 PolarHBondContact O-NZ 2.87Å; F294-L312 HydrophobicContact CD1-CD1 3.86Å; F294-L312 HydrophobicContact CD2-CD1 4.22Å; F294-L312 HydrophobicContact CD2-CD2 4.25Å; F294-L312 HydrophobicContact CD2-CG 4.12Å; F294-L312 HydrophobicContact CE1-CD1 3.76Å; F294-L312 HydrophobicContact CE1-CG 4.5Å; F294-L312 HydrophobicContact CE2-CD1 4.14Å; F294-L312 HydrophobicContact CE2-CG 3.99Å; F294-L312 HydrophobicContact CG-CD1 4.09Å; F294-L312 HydrophobicContact CG-CD2 4.48Å; F294-L312 HydrophobicContact CG-CG 4.44Å; F294-L312 HydrophobicContact CZ-CD1 3.91Å; F294-L312 HydrophobicContact CZ-CG 4.19Å; F294-P483 WeakPolarHBondContact CE1-O 3.2Å
295	S	47.7	Very low	58.1	Low	89 Å²	89	117.2 Å²	117.2	62%	0.622	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-16.2	-178.2	61.6	0	0	0	0	114.3
296	M	50.3	Low	60.8	Low	170 Å²	170	107 Å²	107	84%	0.837	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-0.2	-179.5	-70.9	-171.7	168.7	0	0	114	F294	F294-M296 VanDerWaalsContact C-N 3.32Å; F294-M296 PolarHBondContact O-N 3.34Å
297	I	61	Low	63.8	Low	41 Å²	41	98.3 Å²	98.3	21%	0.21	48%	0.476	C	S	.	.	S	Bend	trans	-83	126.7	177.8	-62.9	169.1	0	0	0	108.1	S293 F294 E299 K301 K302 M305	S293-I297 WeakPolarHBondContact O-CG1 3.48Å; F294-I297 HydrophobicContact CD2-CD1 4.36Å; I297-E299 PolarHBondContact O-N 3.01Å; I297-K301 HydrophobicContact CG2-CB 3.43Å; I297-K301 VanDerWaalsContact CG2-CB 3.43Å; I297-K301 HydrophobicContact CG2-CD 4.44Å; I297-K302 HydrophobicContact CB-CG 4.1Å; I297-K302 HydrophobicContact CG2-CG 3.89Å; I297-K302 WeakPolarHBondContact O-CE 3.33Å; I297-M305 HydrophobicContact CD1-SD 4.4Å
298	P	80.5	Confident	66.5	Low	80 Å²	80	91.9 Å²	91.9	52%	0.519	44%	0.444	S	S	.	.			trans	-49.9	139.4	171.5	-27	33.6	0	0	0	111.3	R300 K301 K302	P298-R300 VanDerWaalsContact C-N 3.28Å; P298-R300 PolarHBondContact O-N 3.44Å; P298-K301 HydrophobicContact CG-CD 4.47Å; P298-K301 WeakPolarHBondContact O-CB 3.11Å; P298-K301 PolarHBondContact O-N 3.37Å; P298-K302 PolarHBondContact O-N 2.78Å
299	E	80.1	Confident	69.2	Low	63 Å²	63	83.8 Å²	83.8	29%	0.294	42%	0.419	S	S	.	.	H	α-helix	trans	-51.2	-46.4	-173.5	179.9	178.7	-173.1	0	0	113	I297 K301 K302 Y303 P442 R513	I297-E299 PolarHBondContact O-N 3.01Å; E299-K301 PolarHBondContact O-N 3.26Å; E299-K302 WeakPolarHBondContact O-CB 3.47Å; E299-K302 PolarHBondContact O-N 2.99Å; E299-Y303 PolarHBondContact O-N 2.96Å; E299-P442 WeakPolarHBondContact OE1-CB 3.46Å; E299-R513 VanDerWaalsContact CD-NH2 3.28Å; E299-R513 IonicContact OE1-CZ 3.6Å; E299-R513 IonicContact OE1-NE 3.68Å; E299-R513 PolarHBondContact OE1-NE 3.33Å; E299-R513 IonicContact OE1-NH1 2.71Å; E299-R513 PolarHBondContact OE1-NH1 2.81Å; E299-R513 IonicContact OE1-NH2 2.78Å; E299-R513 PolarHBondContact OE1-NH2 3.12Å; E299-R513 IonicContact OE2-CZ 3.45Å; E299-R513 IonicContact OE2-NH1 3.07Å; E299-R513 PolarHBondContact OE2-NH1 3.22Å; E299-R513 IonicContact OE2-NH2 3.7Å; E299-R513 PolarHBondContact OE2-NH2 3.17Å
300	R	82.6	Confident	71.9	Confident	158 Å²	158	79 Å²	79	60%	0.596	40%	0.4	S	S	*	.	H	α-helix	trans	-52	-41.9	177.6	179.8	171.5	173	172.9	-2.2	112.4	D146 P298 K302 Y303 E304	D146-R300 IonicContact OD2-NH2 3.78Å; D146-R300 PolarHBondContact OD2-NH2 2.98Å; P298-R300 VanDerWaalsContact C-N 3.28Å; P298-R300 PolarHBondContact O-N 3.44Å; R300-K302 PolarHBondContact O-N 3.37Å; R300-Y303 WeakPolarHBondContact O-CB 3.37Å; R300-Y303 PolarHBondContact O-N 3.01Å; R300-E304 HydrophobicContact CG-CG 4.48Å; R300-E304 VanDerWaalsContact CG-OE1 3.26Å; R300-E304 WeakPolarHBondContact CG-OE1 3.36Å; R300-E304 IonicContact CZ-OE1 3.36Å; R300-E304 IonicContact NE-OE1 3.61Å; R300-E304 PolarHBondContact NE-OE1 2.93Å; R300-E304 IonicContact NH2-OE1 3.86Å; R300-E304 VanDerWaalsContact O-CG 3.28Å; R300-E304 WeakPolarHBondContact O-CG 3.41Å; R300-E304 PolarHBondContact O-N 3.49Å
301	K	85.6	Confident	73.8	Confident	123 Å²	123	70.6 Å²	70.6	54%	0.535	37%	0.366	S	S	.	.	H	α-helix	trans	-67.8	-36.3	178.1	-71.5	-172.8	-178.9	-178	0	112.4	I297 P298 E299 M305	I297-K301 HydrophobicContact CG2-CB 3.43Å; I297-K301 VanDerWaalsContact CG2-CB 3.43Å; I297-K301 HydrophobicContact CG2-CD 4.44Å; P298-K301 HydrophobicContact CG-CD 4.47Å; P298-K301 WeakPolarHBondContact O-CB 3.11Å; P298-K301 PolarHBondContact O-N 3.37Å; E299-K301 PolarHBondContact O-N 3.26Å; K301-M305 WeakPolarHBondContact O-CB 3.39Å; K301-M305 WeakPolarHBondContact O-CG 3.26Å; K301-M305 PolarHBondContact O-N 3.28Å
302	K	87.8	Confident	75.6	Confident	25 Å²	25	65.6 Å²	65.6	11%	0.109	35%	0.347	C	S	.	.	H	α-helix	trans	-64.4	-45.4	174.9	-64.7	177.7	179.4	174.4	0	111	F294 I297 P298 E299 R300 M305 L306	F294-K302 HydrophobicContact CD1-CD 4.36Å; F294-K302 HydrophobicContact CE1-CD 3.79Å; F294-K302 HydrophobicContact CE1-CG 4.34Å; F294-K302 HydrophobicContact CE2-CG 4.24Å; F294-K302 HydrophobicContact CZ-CB 4.29Å; F294-K302 HydrophobicContact CZ-CD 3.89Å; F294-K302 HydrophobicContact CZ-CG 3.96Å; F294-K302 WeakPolarHBondContact O-CE 3.4Å; F294-K302 PolarHBondContact O-NZ 2.87Å; I297-K302 HydrophobicContact CB-CG 4.1Å; I297-K302 HydrophobicContact CG2-CG 3.89Å; I297-K302 WeakPolarHBondContact O-CE 3.33Å; P298-K302 PolarHBondContact O-N 2.78Å; E299-K302 WeakPolarHBondContact O-CB 3.47Å; E299-K302 PolarHBondContact O-N 2.99Å; R300-K302 PolarHBondContact O-N 3.37Å; K302-M305 PolarHBondContact O-N 3.39Å; K302-L306 WeakPolarHBondContact O-CG 3.01Å; K302-L306 PolarHBondContact O-N 3.29Å
303	Y	90.9	Very high	77.3	Confident	11 Å²	11	68.1 Å²	68.1	4%	0.043	35%	0.352	C	S	.	.	H	α-helix	trans	-55.9	-53.8	175.6	163	-105.4	0	0	0	111.1	E299 R300 M305 L306 C307 Q439 P442 V481 A515 A516 P518	E299-Y303 PolarHBondContact O-N 2.96Å; R300-Y303 WeakPolarHBondContact O-CB 3.37Å; R300-Y303 PolarHBondContact O-N 3.01Å; Y303-M305 VanDerWaalsContact C-N 3.34Å; Y303-M305 PolarHBondContact O-N 3.36Å; Y303-L306 PolarHBondContact O-N 2.76Å; Y303-L306 VanDerWaalsContact O-N 3.12Å; Y303-C307 PolarHBondContact O-N 3.43Å; Y303-C307 PolarHBondContact O-SG 2.96Å; Y303-Q439 PolarHBondContact OH-OE1 3.35Å; Y303-P442 HydrophobicContact CD2-CG 4.26Å; Y303-P442 HydrophobicContact CG-CG 4.4Å; Y303-V481 HydrophobicContact CD2-CG2 3.83Å; Y303-V481 HydrophobicContact CE2-CG2 4.14Å; Y303-A515 HydrophobicContact CD2-CB 3.65Å; Y303-A515 HydrophobicContact CE2-CB 3.51Å; Y303-A516 PolarHBondContact OH-O 2.72Å; Y303-P518 VanDerWaalsContact OH-CD 3.31Å; Y303-P518 WeakPolarHBondContact OH-CD 3.41Å
304	E	91.5	Very high	79.1	Confident	27 Å²	27	64.8 Å²	64.8	13%	0.126	33%	0.326	C	S	.	.	H	α-helix	trans	-62	-40.3	179.9	-66.4	165	178.8	0	0	112.1	T147 R300 L306 C307 R308	T147-E304 HydrophobicContact CG2-CG 4.39Å; R300-E304 HydrophobicContact CG-CG 4.48Å; R300-E304 VanDerWaalsContact CG-OE1 3.26Å; R300-E304 WeakPolarHBondContact CG-OE1 3.36Å; R300-E304 IonicContact CZ-OE1 3.36Å; R300-E304 IonicContact NE-OE1 3.61Å; R300-E304 PolarHBondContact NE-OE1 2.93Å; R300-E304 IonicContact NH2-OE1 3.86Å; R300-E304 VanDerWaalsContact O-CG 3.28Å; R300-E304 WeakPolarHBondContact O-CG 3.41Å; R300-E304 PolarHBondContact O-N 3.49Å; E304-L306 VanDerWaalsContact C-N 3.34Å; E304-L306 PolarHBondContact O-N 2.94Å; E304-C307 PolarHBondContact O-N 2.98Å; E304-R308 WeakPolarHBondContact O-CG 3.36Å; E304-R308 PolarHBondContact O-N 3.4Å; E304-R308 VanDerWaalsContact O-N 3.15Å; E304-R308 PolarHBondContact O-NH1 3.2Å
305	M	91.1	Very high	80.8	Confident	49 Å²	49	66.5 Å²	66.5	24%	0.241	34%	0.34	C	S	.	.	H	α-helix	trans	-58.4	-44.1	173.6	-76.3	176.9	70	0	0	112.2	I297 K301 K302 Y303 C307 R308 G309 E310	I297-M305 HydrophobicContact CD1-SD 4.4Å; K301-M305 WeakPolarHBondContact O-CB 3.39Å; K301-M305 WeakPolarHBondContact O-CG 3.26Å; K301-M305 PolarHBondContact O-N 3.28Å; K302-M305 PolarHBondContact O-N 3.39Å; Y303-M305 VanDerWaalsContact C-N 3.34Å; Y303-M305 PolarHBondContact O-N 3.36Å; M305-C307 VanDerWaalsContact C-N 3.35Å; M305-R308 PolarHBondContact O-N 3.4Å; M305-G309 PolarHBondContact O-N 3.24Å; M305-E310 HydrophobicContact CB-CB 4.15Å; M305-E310 HydrophobicContact CE-CB 4.33Å; M305-E310 WeakPolarHBondContact O-CA 3.44Å; M305-E310 WeakPolarHBondContact O-CB 3.37Å; M305-E310 PolarHBondContact O-N 3.4Å
306	L	92.5	Very high	82.6	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.005	34%	0.343	C	S	.	.	H	α-helix	trans	-66.2	-38.6	178.2	-72.3	167.2	0	0	0	112.2	K302 Y303 E304 R308 G309 V481 P483 G486	K302-L306 WeakPolarHBondContact O-CG 3.01Å; K302-L306 PolarHBondContact O-N 3.29Å; Y303-L306 PolarHBondContact O-N 2.76Å; Y303-L306 VanDerWaalsContact O-N 3.12Å; E304-L306 VanDerWaalsContact C-N 3.34Å; E304-L306 PolarHBondContact O-N 2.94Å; L306-R308 PolarHBondContact O-N 3.46Å; L306-G309 PolarHBondContact O-N 2.98Å; L306-V481 HydrophobicContact CB-CB 3.82Å; L306-V481 HydrophobicContact CB-CG1 3.72Å; L306-V481 HydrophobicContact CB-CG2 4.31Å; L306-V481 HydrophobicContact CD1-CB 4.14Å; L306-P483 VanDerWaalsContact CD1-CA 3.45Å; L306-P483 HydrophobicContact CD1-CB 4.34Å; L306-P483 HydrophobicContact CD1-CG 4.49Å; L306-G486 VanDerWaalsContact CD2-C 3.43Å; L306-G486 WeakPolarHBondContact CD2-O 3.36Å
307	C	93.1	Very high	84.4	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-60.9	-30.2	174.6	-61.6	0	0	0	0	112.6	T147 Y148 Y303 E304 M305 G309 W490 C517	T147-C307 HydrophobicContact CG2-CB 3.69Å; Y148-C307 HydrophobicContact CE1-CB 4.28Å; Y148-C307 WeakPolarHBondContact CE1-O 3.31Å; Y303-C307 PolarHBondContact O-N 3.43Å; Y303-C307 PolarHBondContact O-SG 2.96Å; E304-C307 PolarHBondContact O-N 2.98Å; M305-C307 VanDerWaalsContact C-N 3.35Å; C307-G309 VanDerWaalsContact C-N 3.31Å; C307-W490 WeakPolarHBondContact O-CH2 3.43Å; C307-C517 WeakPolarHBondContact CA-SG 3.37Å; C307-C517 HydrophobicContact CB-CB 3.71Å; C307-C517 WeakPolarHBondContact CB-SG 3.34Å; C307-C517 VanDerWaalsContact SG-CA 3.56Å; C307-C517 WeakPolarHBondContact SG-CB 3.29Å; C307-C517 CovalentContact SG-SG 2.03Å; C307-C517 PolarHBondContact SG-SG 2.88Å
308	R	91.7	Very high	85.6	Confident	47 Å²	47	70.4 Å²	70.4	18%	0.177	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-1.6	173.2	-64.7	-172	-57.1	-85.5	-5	114.4	T147 Y148 K149 E304 M305 L306 E310	T147-R308 WeakPolarHBondContact O-CD 3.35Å; T147-R308 VanDerWaalsContact O-CG 3.29Å; T147-R308 WeakPolarHBondContact O-CG 2.99Å; T147-R308 PolarHBondContact O-NH1 3.25Å; Y148-R308 HydrophobicContact CD1-CG 4.15Å; K149-R308 VanDerWaalsContact CE-CZ 3.46Å; E304-R308 WeakPolarHBondContact O-CG 3.36Å; E304-R308 PolarHBondContact O-N 3.4Å; E304-R308 VanDerWaalsContact O-N 3.15Å; E304-R308 PolarHBondContact O-NH1 3.2Å; M305-R308 PolarHBondContact O-N 3.4Å; L306-R308 PolarHBondContact O-N 3.46Å; R308-E310 HydrophobicContact CB-CG 3.93Å; R308-E310 IonicContact CZ-OE1 2.9Å; R308-E310 IonicContact CZ-OE2 2.71Å; R308-E310 IonicContact NE-OE1 2.77Å; R308-E310 PolarHBondContact NE-OE1 2.7Å; R308-E310 IonicContact NE-OE2 3.97Å; R308-E310 PolarHBondContact NE-OE2 3.18Å; R308-E310 IonicContact NH2-OE1 3.37Å; R308-E310 IonicContact NH2-OE2 3.52Å; R308-E310 PolarHBondContact NH2-OE2 2.86Å; R308-E310 PolarHBondContact O-N 2.97Å
309	G	88.6	Confident	85.9	Confident	38 Å²	38	72.4 Å²	72.4	39%	0.392	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	15	-172.9	0	0	0	0	0	114	M305 L306 C307 G311	M305-G309 PolarHBondContact O-N 3.24Å; L306-G309 PolarHBondContact O-N 2.98Å; C307-G309 VanDerWaalsContact C-N 3.31Å; G309-G311 PolarHBondContact O-N 2.97Å
310	E	87.8	Confident	86.2	Confident	82 Å²	82	73.4 Å²	73.4	38%	0.383	36%	0.359	S	S	.	.			trans	-85.6	19.6	176.4	-58.6	170.3	-172	0	0	112.4	K149 M305 R308	K149-E310 IonicContact NZ-OE2 2.81Å; M305-E310 HydrophobicContact CB-CB 4.15Å; M305-E310 HydrophobicContact CE-CB 4.33Å; M305-E310 WeakPolarHBondContact O-CA 3.44Å; M305-E310 WeakPolarHBondContact O-CB 3.37Å; M305-E310 PolarHBondContact O-N 3.4Å; R308-E310 HydrophobicContact CB-CG 3.93Å; R308-E310 IonicContact CZ-OE1 2.9Å; R308-E310 IonicContact CZ-OE2 2.71Å; R308-E310 IonicContact NE-OE1 2.77Å; R308-E310 PolarHBondContact NE-OE1 2.7Å; R308-E310 IonicContact NE-OE2 3.97Å; R308-E310 PolarHBondContact NE-OE2 3.18Å; R308-E310 IonicContact NH2-OE1 3.37Å; R308-E310 IonicContact NH2-OE2 3.52Å; R308-E310 PolarHBondContact NH2-OE2 2.86Å; R308-E310 PolarHBondContact O-N 2.97Å
311	G	76.7	Confident	86.4	Confident	19 Å²	19	72.7 Å²	72.7	20%	0.196	36%	0.356	C	S	.	.	S	Bend	trans	-64.7	173.3	-177.9	0	0	0	0	0	115.1	G309 K313	G309-G311 PolarHBondContact O-N 2.97Å; G311-K313 PolarHBondContact O-N 3.32Å
312	L	74.8	Confident	86.6	Confident	81 Å²	81	68.7 Å²	68.7	42%	0.424	34%	0.341	S	S	.	.			trans	-61.4	107	170.7	-74.3	166.2	0	0	0	109.1	F294 M314	F294-L312 HydrophobicContact CD1-CD1 3.86Å; F294-L312 HydrophobicContact CD2-CD1 4.22Å; F294-L312 HydrophobicContact CD2-CD2 4.25Å; F294-L312 HydrophobicContact CD2-CG 4.12Å; F294-L312 HydrophobicContact CE1-CD1 3.76Å; F294-L312 HydrophobicContact CE1-CG 4.5Å; F294-L312 HydrophobicContact CE2-CD1 4.14Å; F294-L312 HydrophobicContact CE2-CG 3.99Å; F294-L312 HydrophobicContact CG-CD1 4.09Å; F294-L312 HydrophobicContact CG-CD2 4.48Å; F294-L312 HydrophobicContact CG-CG 4.44Å; F294-L312 HydrophobicContact CZ-CD1 3.91Å; F294-L312 HydrophobicContact CZ-CG 4.19Å; L312-M314 PolarHBondContact O-N 2.79Å
313	K	75.9	Confident	86.8	Confident	189 Å²	189	73.3 Å²	73.3	82%	0.822	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-69.3	131	173.4	-65.4	-172.2	178.3	-177	0	109.3	G311	G311-K313 PolarHBondContact O-N 3.32Å
314	M	81.8	Confident	87	Confident	27 Å²	27	77.4 Å²	77.4	13%	0.133	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-55.8	142.6	170.8	-73.3	-154.5	179.7	0	0	110.4	L312 R318 Q319 L322 W346 D347	L312-M314 PolarHBondContact O-N 2.79Å; M314-R318 HydrophobicContact CB-CB 4.37Å; M314-R318 HydrophobicContact SD-CB 4.15Å; M314-Q319 HydrophobicContact CB-CB 4.26Å; M314-L322 HydrophobicContact CE-CD1 3.83Å; M314-L322 HydrophobicContact CE-CD2 4.28Å; M314-L322 HydrophobicContact CE-CG 4.49Å; M314-L322 HydrophobicContact SD-CD1 3.67Å; M314-L322 HydrophobicContact SD-CG 4.26Å; M314-W346 HydrophobicContact CE-CB 4.21Å; M314-W346 HydrophobicContact CE-CD2 3.23Å; M314-W346 HydrophobicContact CE-CE3 3.16Å; M314-W346 HydrophobicContact CE-CG 3.73Å; M314-W346 HydrophobicContact CE-CH2 4.16Å; M314-W346 HydrophobicContact CE-CZ2 4.24Å; M314-W346 HydrophobicContact CE-CZ3 3.64Å; M314-W346 HydrophobicContact CG-CE3 4.24Å; M314-W346 HydrophobicContact CG-CH2 3.86Å; M314-W346 HydrophobicContact CG-CZ3 3.71Å; M314-W346 HydrophobicContact SD-CE3 4.49Å; M314-D347 WeakPolarHBondContact CE-OD1 3.38Å
315	T	84.8	Confident	87.2	Confident	76 Å²	76	80.8 Å²	80.8	47%	0.466	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-66.5	148.9	168.7	62.2	0	0	0	0	108.9	R317 R318 Q319	T315-R317 PolarHBondContact O-N 2.85Å; T315-R318 PolarHBondContact O-N 3.4Å; T315-R318 PolarHBondContact OG1-N 2.9Å; T315-Q319 PolarHBondContact O-N 3.33Å
316	P	86.4	Confident	87.4	Confident	108 Å²	108	86.5 Å²	86.5	70%	0.701	42%	0.422	S	S	*	.	H	α-helix	trans	-52	-33.6	177.4	-29.4	35.5	0	0	0	113.1	Q319 S320	P316-Q319 PolarHBondContact O-N 3.06Å; P316-S320 WeakPolarHBondContact O-CB 3.42Å; P316-S320 PolarHBondContact O-N 3.34Å
317	R	87.1	Confident	87.5	Confident	188 Å²	188	88.7 Å²	88.7	71%	0.709	43%	0.431	S	S	*	.	H	α-helix	trans	-67.9	-34.3	175.8	-173.9	179.6	-179.3	-172.5	1.2	114.1	T315 S320	T315-R317 PolarHBondContact O-N 2.85Å; R317-S320 PolarHBondContact O-OG 3.2Å; R317-S320 VanDerWaalsContact O-OG 3.1Å
318	R	86.5	Confident	87.5	Confident	87 Å²	87	91 Å²	91	33%	0.328	44%	0.444	S	S	.	.	H	α-helix	trans	-75.8	-44.1	173.3	-78.1	-178.9	72.8	-169.9	5.8	110.2	M314 T315 S320 R321 D347	M314-R318 HydrophobicContact CB-CB 4.37Å; M314-R318 HydrophobicContact SD-CB 4.15Å; T315-R318 PolarHBondContact O-N 3.4Å; T315-R318 PolarHBondContact OG1-N 2.9Å; R318-S320 VanDerWaalsContact C-N 3.28Å; R318-S320 PolarHBondContact O-N 3.36Å; R318-R321 WeakPolarHBondContact O-CB 3.2Å; R318-R321 PolarHBondContact O-N 2.66Å; R318-D347 IonicContact CZ-OD1 3.82Å; R318-D347 IonicContact CZ-OD2 3.79Å; R318-D347 IonicContact NE-OD1 3.08Å; R318-D347 PolarHBondContact NE-OD1 3.28Å; R318-D347 IonicContact NE-OD2 3.69Å; R318-D347 PolarHBondContact NE-OD2 2.73Å; R318-D347 IonicContact NH2-OD1 2.96Å; R318-D347 PolarHBondContact NH2-OD1 2.99Å; R318-D347 IonicContact NH2-OD2 2.77Å; R318-D347 PolarHBondContact NH2-OD2 3.36Å
319	Q	86.4	Confident	87.5	Confident	122 Å²	122	90.4 Å²	90.4	57%	0.57	44%	0.444	S	S	*	.	H	α-helix	trans	-61.2	-35.3	179.7	-168.3	174.2	7.3	0	0	112.6	M314 T315 P316 R321 L322	M314-Q319 HydrophobicContact CB-CB 4.26Å; T315-Q319 PolarHBondContact O-N 3.33Å; P316-Q319 PolarHBondContact O-N 3.06Å; Q319-R321 PolarHBondContact O-N 2.9Å; Q319-L322 WeakPolarHBondContact O-CB 3.39Å; Q319-L322 PolarHBondContact O-N 2.93Å
320	S	86.9	Confident	87.6	Confident	83 Å²	83	95.7 Å²	95.7	58%	0.58	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-6.6	176.4	74.8	0	0	0	0	114.6	P316 R317 R318	P316-S320 WeakPolarHBondContact O-CB 3.42Å; P316-S320 PolarHBondContact O-N 3.34Å; R317-S320 PolarHBondContact O-OG 3.2Å; R317-S320 VanDerWaalsContact O-OG 3.1Å; R318-S320 VanDerWaalsContact C-N 3.28Å; R318-S320 PolarHBondContact O-N 3.36Å
321	R	87.4	Confident	87.7	Confident	144 Å²	144	98.2 Å²	98.2	54%	0.543	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-5.3	175.4	-60.9	175.6	172.1	-176.2	-7.6	113	R318 Q319 F323	R318-R321 WeakPolarHBondContact O-CB 3.2Å; R318-R321 PolarHBondContact O-N 2.66Å; Q319-R321 PolarHBondContact O-N 2.9Å; R321-F323 VanDerWaalsContact C-CE2 3.5Å; R321-F323 WeakPolarHBondContact O-CD2 3.33Å; R321-F323 WeakPolarHBondContact O-CE2 3.47Å
322	L	89.8	Confident	88.4	Confident	39 Å²	39	100 Å²	100	20%	0.204	48%	0.478	C	S	.	.			trans	-86	130.6	174.6	-57	-176.2	0	0	0	108.5	M314 Q319 D344 D347	M314-L322 HydrophobicContact CE-CD1 3.83Å; M314-L322 HydrophobicContact CE-CD2 4.28Å; M314-L322 HydrophobicContact CE-CG 4.49Å; M314-L322 HydrophobicContact SD-CD1 3.67Å; M314-L322 HydrophobicContact SD-CG 4.26Å; Q319-L322 WeakPolarHBondContact O-CB 3.39Å; Q319-L322 PolarHBondContact O-N 2.93Å; L322-D344 HydrophobicContact CB-CB 3.99Å; L322-D344 HydrophobicContact CD2-CB 3.81Å; L322-D344 HydrophobicContact CG-CB 4.45Å; L322-D347 HydrophobicContact CD2-CB 4.07Å
323	F	91.8	Very high	89.3	Confident	121 Å²	121	101.5 Å²	101.5	53%	0.531	49%	0.493	S	S	.	.			trans	-124.4	148.6	-176.5	-61	-81.8	0	0	0	112	R321 D344	R321-F323 VanDerWaalsContact C-CE2 3.5Å; R321-F323 WeakPolarHBondContact O-CD2 3.33Å; R321-F323 WeakPolarHBondContact O-CE2 3.47Å; F323-D344 PolarHBondContact N-OD2 3.14Å; F323-D344 PolarHBondContact O-N 2.89Å; F323-D344 VanDerWaalsContact O-N 3.08Å
324	C	94.8	Very high	90	Very high	97 Å²	97	98.3 Å²	98.3	66%	0.655	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.8	136.6	163	-61.1	0	0	0	0	108.5	Q342	C324-Q342 CarbonylContact C-O 3.55Å; C324-Q342 WeakPolarHBondContact CA-O 2.94Å
325	R	95.1	Very high	90.6	Very high	98 Å²	98	97.8 Å²	97.8	37%	0.37	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	155.8	-175.7	56.5	-163.9	156.4	-156.1	-10.1	112.3	Q342 D344 Y350	R325-Q342 HydrophobicContact CG-CB 4.12Å; R325-Q342 PolarHBondContact N-O 2.84Å; R325-Q342 PolarHBondContact O-N 2.6Å; R325-D344 IonicContact CZ-OD1 3.43Å; R325-D344 IonicContact CZ-OD2 2.78Å; R325-D344 VanDerWaalsContact NH2-CG 3.35Å; R325-D344 IonicContact NH2-OD1 3.17Å; R325-D344 PolarHBondContact NH2-OD1 3.39Å; R325-D344 IonicContact NH2-OD2 3.72Å; R325-D344 PolarHBondContact NH2-OD2 3.2Å; R325-Y350 PolarHBondContact NH2-OH 3.08Å
326	Y	95.9	Very high	90.8	Very high	170 Å²	170	98.1 Å²	98.1	67%	0.667	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	117	160.9	-70.9	-77.1	0	0	0	107.4	P339 V340 K341	Y326-P339 HydrophobicContact CD1-CB 4.48Å; Y326-P339 HydrophobicContact CD1-CG 3.93Å; Y326-P339 HydrophobicContact CG-CG 4.15Å; Y326-V340 CarbonylContact C-O 3.58Å; Y326-V340 WeakPolarHBondContact CA-O 3.39Å; Y326-K341 HydrophobicContact CD1-CG 4.34Å; Y326-K341 HydrophobicContact CE1-CG 3.97Å
327	F	95.3	Very high	91	Very high	46 Å²	46	101.1 Å²	101.1	20%	0.202	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	129.4	-175	177.5	-104.5	0	0	0	109.4	N329 P339 V340 Q342 Y354 I418	F327-N329 HydrophobicContact CD1-CB 4.34Å; F327-N329 HydrophobicContact CE1-CB 3.51Å; F327-N329 HydrophobicContact CZ-CB 3.64Å; F327-P339 WeakPolarHBondContact O-CB 3.36Å; F327-V340 HydrophobicContact CB-CG2 3.91Å; F327-V340 HydrophobicContact CD1-CG2 3.71Å; F327-V340 HydrophobicContact CG-CG2 4.32Å; F327-V340 PolarHBondContact N-O 3.3Å; F327-V340 WeakPolarHBondContact O-CG2 3.26Å; F327-V340 PolarHBondContact O-N 3.17Å; F327-Q342 HydrophobicContact CB-CB 3.83Å; F327-Y354 HydrophobicContact CD1-CE1 4.14Å; F327-I418 HydrophobicContact CE1-CG2 4.26Å; F327-I418 WeakPolarHBondContact CE1-O 3.42Å
328	D	92.7	Very high	91.2	Very high	50 Å²	50	95.4 Å²	95.4	27%	0.267	48%	0.477	S	S	.	.			trans	-117.1	4	-176.7	62.7	12.9	0	0	0	113.2	N330 H331 H332 F335 P339	D328-N330 PolarHBondContact OD1-N 3.31Å; D328-H331 PolarHBondContact O-N 3.37Å; D328-H331 PolarHBondContact OD1-N 3.25Å; D328-H331 IonicContact OD2-CD2 2.71Å; D328-H332 WeakPolarHBondContact O-CB 3.28Å; D328-H332 PolarHBondContact O-N 3.12Å; D328-F335 HydrophobicContact CB-CB 4.2Å; D328-P339 HydrophobicContact CB-CB 4.42Å
329	N	92.3	Very high	91.7	Very high	33 Å²	33	93.5 Å²	93.5	18%	0.176	48%	0.475	C	S	.	.	T	Hydrogen-bonded Turn	trans	45.2	61.6	-176	-163.8	24.6	0	0	0	113.5	F327 H332 A417 I418 G420	F327-N329 HydrophobicContact CD1-CB 4.34Å; F327-N329 HydrophobicContact CE1-CB 3.51Å; F327-N329 HydrophobicContact CZ-CB 3.64Å; N329-H332 HydrophobicContact CB-CB 4.24Å; N329-H332 PolarHBondContact O-N 2.85Å; N329-A417 PolarHBondContact ND2-O 3.36Å; N329-I418 PolarHBondContact ND2-O 2.91Å; N329-G420 PolarHBondContact ND2-N 3.18Å
330	N	90.5	Very high	92.1	Very high	149 Å²	149	88.3 Å²	88.3	80%	0.797	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	46.9	-177.8	-62.2	-30.7	0	0	0	112.7	D328 H332	D328-N330 PolarHBondContact OD1-N 3.31Å; N330-H332 VanDerWaalsContact C-N 3.3Å; N330-H332 PolarHBondContact O-N 3.08Å
331	H	88.4	Confident	92.6	Very high	136 Å²	136	88.6 Å²	88.6	63%	0.63	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	38.4	-178.5	-56.1	76.2	0	0	0	113.5	D328	D328-H331 PolarHBondContact O-N 3.37Å; D328-H331 PolarHBondContact OD1-N 3.25Å; D328-H331 IonicContact OD2-CD2 2.71Å
332	H	92.6	Very high	93.1	Very high	56 Å²	56	82.1 Å²	82.1	26%	0.259	42%	0.419	S	S	.	.			trans	-54.1	133	173.2	-174.4	-82.9	0	0	0	109.6	D328 N329 N330 R334 F335 V336 A417	D328-H332 WeakPolarHBondContact O-CB 3.28Å; D328-H332 PolarHBondContact O-N 3.12Å; N329-H332 HydrophobicContact CB-CB 4.24Å; N329-H332 PolarHBondContact O-N 2.85Å; N330-H332 VanDerWaalsContact C-N 3.3Å; N330-H332 PolarHBondContact O-N 3.08Å; H332-R334 PolarHBondContact ND1-N 2.99Å; H332-R334 PolarHBondContact O-N 2.8Å; H332-F335 HydrophobicContact CB-CD2 4.05Å; H332-F335 PolarHBondContact O-N 3.01Å; H332-V336 PolarHBondContact O-N 3.2Å; H332-A417 VanDerWaalsContact CE1-CB 3.49Å; H332-A417 WeakPolarHBondContact CE1-CB 3.45Å
333	P	92.8	Very high	93.4	Very high	113 Å²	113	83.1 Å²	83.1	73%	0.734	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-31.6	-170.2	-30.3	35.3	0	0	0	114.9	F335	P333-F335 VanDerWaalsContact C-N 3.28Å; P333-F335 PolarHBondContact O-N 2.65Å
334	R	91.2	Very high	93.6	Very high	121 Å²	121	78 Å²	78	46%	0.457	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-22.4	176.7	-70.2	-175.9	168.4	143.4	-4.5	114.4	H332 E413	H332-R334 PolarHBondContact ND1-N 2.99Å; H332-R334 PolarHBondContact O-N 2.8Å; R334-E413 IonicContact CZ-OE2 3.23Å; R334-E413 PolarHBondContact NH1-O 3.18Å; R334-E413 IonicContact NH2-OE2 2.94Å; R334-E413 PolarHBondContact NH2-OE2 3.02Å
335	F	93.9	Very high	93.5	Very high	16 Å²	16	75.4 Å²	75.4	7%	0.07	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.9	2.3	-168.6	-56.6	-41.9	0	0	0	114.3	D328 H332 P333 L337 A338 P339 V340 A417 I418	D328-F335 HydrophobicContact CB-CB 4.2Å; H332-F335 HydrophobicContact CB-CD2 4.05Å; H332-F335 PolarHBondContact O-N 3.01Å; P333-F335 VanDerWaalsContact C-N 3.28Å; P333-F335 PolarHBondContact O-N 2.65Å; F335-L337 PolarHBondContact O-N 2.79Å; F335-A338 CarbonylContact O-C 3.54Å; F335-P339 WeakPolarHBondContact O-CA 3.44Å; F335-P339 WeakPolarHBondContact O-CD 3.42Å; F335-V340 HydrophobicContact CD1-CG1 3.8Å; F335-V340 HydrophobicContact CE1-CG1 3.62Å; F335-V340 HydrophobicContact CG-CG1 4.39Å; F335-V340 HydrophobicContact CZ-CG1 4.06Å; F335-A417 HydrophobicContact CE2-CB 3.69Å; F335-A417 WeakPolarHBondContact CE2-O 2.88Å; F335-A417 HydrophobicContact CZ-CB 3.75Å; F335-I418 HydrophobicContact CE1-CG1 4.48Å; F335-I418 HydrophobicContact CE2-CB 4.47Å; F335-I418 HydrophobicContact CE2-CG1 3.71Å; F335-I418 HydrophobicContact CZ-CD1 4.37Å; F335-I418 HydrophobicContact CZ-CG1 3.5Å; F335-I418 VanDerWaalsContact CZ-CG1 3.5Å
336	V	89.9	Confident	93.4	Very high	84 Å²	84	71.7 Å²	71.7	51%	0.509	37%	0.365	S	S	.	.	S	Bend	trans	-60.8	-43.3	176.7	179.5	0	0	0	0	111.8	H332	H332-V336 PolarHBondContact O-N 3.2Å
337	L	89.9	Confident	93.1	Very high	171 Å²	171	65.3 Å²	65.3	90%	0.895	34%	0.342	S	S	*	.	S	Bend	trans	-97.6	-21.8	-178.7	-61.6	179.2	0	0	0	113.5	F335	F335-L337 PolarHBondContact O-N 2.79Å
338	A	92.3	Very high	92.8	Very high	68 Å²	68	72.7 Å²	72.7	56%	0.562	37%	0.369	S	S	*	.	S	Bend	trans	-137.9	71.1	-177	0	0	0	0	0	110	F335	F335-A338 CarbonylContact O-C 3.54Å
339	P	95.1	Very high	92.8	Very high	47 Å²	47	70.7 Å²	70.7	31%	0.305	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-64.9	147.7	-180	27.1	-34.9	0	0	0	111.5	Y326 F327 D328 F335	Y326-P339 HydrophobicContact CD1-CB 4.48Å; Y326-P339 HydrophobicContact CD1-CG 3.93Å; Y326-P339 HydrophobicContact CG-CG 4.15Å; F327-P339 WeakPolarHBondContact O-CB 3.36Å; D328-P339 HydrophobicContact CB-CB 4.42Å; F335-P339 WeakPolarHBondContact O-CA 3.44Å; F335-P339 WeakPolarHBondContact O-CD 3.42Å
340	V	96.5	Very high	92.9	Very high	13 Å²	13	73.5 Å²	73.5	8%	0.079	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	143.4	-178.2	-58.3	0	0	0	0	110.5	Y326 F327 F335 Q342 Y354 I357 I418	Y326-V340 CarbonylContact C-O 3.58Å; Y326-V340 WeakPolarHBondContact CA-O 3.39Å; F327-V340 HydrophobicContact CB-CG2 3.91Å; F327-V340 HydrophobicContact CD1-CG2 3.71Å; F327-V340 HydrophobicContact CG-CG2 4.32Å; F327-V340 PolarHBondContact N-O 3.3Å; F327-V340 WeakPolarHBondContact O-CG2 3.26Å; F327-V340 PolarHBondContact O-N 3.17Å; F335-V340 HydrophobicContact CD1-CG1 3.8Å; F335-V340 HydrophobicContact CE1-CG1 3.62Å; F335-V340 HydrophobicContact CG-CG1 4.39Å; F335-V340 HydrophobicContact CZ-CG1 4.06Å; V340-Q342 PolarHBondContact O-N 3.05Å; V340-Y354 HydrophobicContact CG2-CD1 3.89Å; V340-Y354 HydrophobicContact CG2-CE1 4.07Å; V340-I357 HydrophobicContact CB-CD1 4.22Å; V340-I357 HydrophobicContact CG1-CD1 3.8Å; V340-I418 HydrophobicContact CG1-CD1 4.32Å; V340-I418 HydrophobicContact CG1-CG1 4.24Å
341	K	97.5	Very high	93.2	Very high	89 Å²	89	66.4 Å²	66.4	39%	0.387	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	116.1	175.8	-64.4	173.6	-167.3	169.7	0	108.8	Y326 Y354 L355 D356	Y326-K341 HydrophobicContact CD1-CG 4.34Å; Y326-K341 HydrophobicContact CE1-CG 3.97Å; K341-Y354 CarbonylContact O-C 3.55Å; K341-Y354 WeakPolarHBondContact O-CA 3.5Å; K341-L355 HydrophobicContact CB-CB 3.88Å; K341-L355 HydrophobicContact CB-CD1 4.37Å; K341-L355 HydrophobicContact CB-CG 4.47Å; K341-L355 HydrophobicContact CD-CB 4.35Å; K341-L355 PolarHBondContact O-N 3.02Å; K341-D356 IonicContact NZ-OD2 3.92Å; K341-D356 PolarHBondContact NZ-OD2 3.16Å
342	Q	96.9	Very high	93.6	Very high	8 Å²	8	59.9 Å²	59.9	4%	0.037	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	139.6	-178.7	-170.8	-173.8	60	0	0	110.1	C324 R325 F327 V340 V352 R353 Y354	C324-Q342 CarbonylContact C-O 3.55Å; C324-Q342 WeakPolarHBondContact CA-O 2.94Å; R325-Q342 HydrophobicContact CG-CB 4.12Å; R325-Q342 PolarHBondContact N-O 2.84Å; R325-Q342 PolarHBondContact O-N 2.6Å; F327-Q342 HydrophobicContact CB-CB 3.83Å; V340-Q342 PolarHBondContact O-N 3.05Å; Q342-V352 HydrophobicContact CG-CG2 3.19Å; Q342-R353 CarbonylContact C-O 3.6Å; Q342-R353 WeakPolarHBondContact CA-O 3.36Å; Q342-Y354 HydrophobicContact CB-CD1 4.09Å; Q342-Y354 HydrophobicContact CB-CE1 3.99Å; Q342-Y354 HydrophobicContact CG-CD1 4.06Å; Q342-Y354 HydrophobicContact CG-CE1 3.63Å; Q342-Y354 VanDerWaalsContact NE2-CE1 3.34Å; Q342-Y354 PolarHBondContact NE2-OH 2.9Å
343	Q	96.1	Very high	93.8	Very high	60 Å²	60	57.9 Å²	57.9	28%	0.28	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	129	179.2	172.3	178.6	-8.4	0	0	110	E345 V352 R353	Q343-E345 PolarHBondContact O-N 3.27Å; Q343-V352 WeakPolarHBondContact O-CG2 3.44Å; Q343-R353 PolarHBondContact N-O 2.8Å; Q343-R353 PolarHBondContact O-N 3.38Å
344	D	95.3	Very high	94.1	Very high	13 Å²	13	52.9 Å²	52.9	7%	0.07	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	119	173.3	-56.7	-19.9	0	0	0	109.6	L322 F323 R325 Y350	L322-D344 HydrophobicContact CB-CB 3.99Å; L322-D344 HydrophobicContact CD2-CB 3.81Å; L322-D344 HydrophobicContact CG-CB 4.45Å; F323-D344 PolarHBondContact N-OD2 3.14Å; F323-D344 PolarHBondContact O-N 2.89Å; F323-D344 VanDerWaalsContact O-N 3.08Å; R325-D344 IonicContact CZ-OD1 3.43Å; R325-D344 IonicContact CZ-OD2 2.78Å; R325-D344 VanDerWaalsContact NH2-CG 3.35Å; R325-D344 IonicContact NH2-OD1 3.17Å; R325-D344 PolarHBondContact NH2-OD1 3.39Å; R325-D344 IonicContact NH2-OD2 3.72Å; R325-D344 PolarHBondContact NH2-OD2 3.2Å; D344-Y350 PolarHBondContact OD1-OH 3.01Å; D344-Y350 VanDerWaalsContact OD1-OH 3.05Å
345	E	93.4	Very high	94.4	Very high	42 Å²	42	48.7 Å²	48.7	20%	0.196	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-33.4	175.2	-71.1	-73.3	-167.5	0	0	111.1	Q343 I351 R353 V489	Q343-E345 PolarHBondContact O-N 3.27Å; E345-I351 HydrophobicContact CB-CB 4.38Å; E345-I351 HydrophobicContact CB-CG2 4.06Å; E345-I351 PolarHBondContact N-O 3.38Å; E345-R353 HydrophobicContact CG-CB 3.78Å; E345-R353 IonicContact OE1-CZ 3.22Å; E345-R353 VanDerWaalsContact OE1-CZ 3.23Å; E345-R353 IonicContact OE1-NE 3.64Å; E345-R353 PolarHBondContact OE1-NE 3.12Å; E345-R353 IonicContact OE1-NH2 2.84Å; E345-R353 PolarHBondContact OE1-NH2 2.88Å; E345-V489 HydrophobicContact CB-CG2 4.31Å; E345-V489 HydrophobicContact CG-CG2 4.45Å
346	W	93.3	Very high	94.5	Very high	20 Å²	20	52.7 Å²	52.7	8%	0.076	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	145.4	-179.5	-152.7	-103.1	0	0	0	112	M314 R348 I351 V485 A487	M314-W346 HydrophobicContact CE-CB 4.21Å; M314-W346 HydrophobicContact CE-CD2 3.23Å; M314-W346 HydrophobicContact CE-CE3 3.16Å; M314-W346 HydrophobicContact CE-CG 3.73Å; M314-W346 HydrophobicContact CE-CH2 4.16Å; M314-W346 HydrophobicContact CE-CZ2 4.24Å; M314-W346 HydrophobicContact CE-CZ3 3.64Å; M314-W346 HydrophobicContact CG-CE3 4.24Å; M314-W346 HydrophobicContact CG-CH2 3.86Å; M314-W346 HydrophobicContact CG-CZ3 3.71Å; M314-W346 HydrophobicContact SD-CE3 4.49Å; W346-R348 PolarHBondContact NE1-O 2.9Å; W346-I351 HydrophobicContact CB-CB 3.79Å; W346-I351 HydrophobicContact CB-CD1 3.77Å; W346-I351 HydrophobicContact CB-CG1 4Å; W346-I351 HydrophobicContact CG-CD1 4.26Å; W346-I351 PolarHBondContact N-O 2.84Å; W346-I351 VanDerWaalsContact N-O 3.07Å; W346-I351 PolarHBondContact O-N 2.92Å; W346-I351 VanDerWaalsContact O-N 3.08Å; W346-V485 WeakPolarHBondContact CZ2-O 3.5Å; W346-A487 HydrophobicContact CB-CB 4.41Å; W346-A487 HydrophobicContact CD2-CB 3.43Å; W346-A487 VanDerWaalsContact CD2-CB 3.43Å; W346-A487 HydrophobicContact CE3-CB 3.51Å; W346-A487 HydrophobicContact CG-CB 3.85Å; W346-A487 HydrophobicContact CH2-CB 4.32Å; W346-A487 HydrophobicContact CZ2-CB 4.25Å; W346-A487 HydrophobicContact CZ3-CB 3.98Å
347	D	90.4	Very high	94.8	Very high	37 Å²	37	49.3 Å²	49.3	20%	0.198	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-37.8	-176.7	59.8	-21.1	0	0	0	113.2	M314 R318 L322 P349	M314-D347 WeakPolarHBondContact CE-OD1 3.38Å; R318-D347 IonicContact CZ-OD1 3.82Å; R318-D347 IonicContact CZ-OD2 3.79Å; R318-D347 IonicContact NE-OD1 3.08Å; R318-D347 PolarHBondContact NE-OD1 3.28Å; R318-D347 IonicContact NE-OD2 3.69Å; R318-D347 PolarHBondContact NE-OD2 2.73Å; R318-D347 IonicContact NH2-OD1 2.96Å; R318-D347 PolarHBondContact NH2-OD1 2.99Å; R318-D347 IonicContact NH2-OD2 2.77Å; R318-D347 PolarHBondContact NH2-OD2 3.36Å; L322-D347 HydrophobicContact CD2-CB 4.07Å; D347-P349 CarbonylContact C-O 3.49Å
348	R	88.8	Confident	95.1	Very high	201 Å²	201	41.4 Å²	41.4	76%	0.758	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-148.1	113.5	178.2	-68.7	-169.3	-174.7	170.9	-2.5	113	W346	W346-R348 PolarHBondContact NE1-O 2.9Å
349	P	92.4	Very high	95.3	Very high	8 Å²	8	40.9 Å²	40.9	5%	0.052	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	cis	-60.2	156.3	-5.6	29.4	-34.7	0	0	0	110.2	D347 I351 S511 T512	D347-P349 CarbonylContact C-O 3.49Å; P349-I351 HydrophobicContact CG-CD1 4.17Å; P349-I351 HydrophobicContact CG-CG1 4.19Å; P349-I351 PolarHBondContact O-N 2.85Å; P349-I351 VanDerWaalsContact O-N 3.07Å; P349-S511 WeakPolarHBondContact CB-OG 3.2Å; P349-S511 WeakPolarHBondContact CD-OG 2.98Å; P349-T512 HydrophobicContact CB-CG2 4.1Å; P349-T512 HydrophobicContact CG-CG2 4.31Å
350	Y	93.4	Very high	95.5	Very high	91 Å²	91	43.2 Å²	43.2	36%	0.357	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	106.6	179.6	-178.8	-116.2	0	0	0	109.1	R325 D344 V352	R325-Y350 PolarHBondContact NH2-OH 3.08Å; D344-Y350 PolarHBondContact OD1-OH 3.01Å; D344-Y350 VanDerWaalsContact OD1-OH 3.05Å; Y350-V352 HydrophobicContact CE1-CB 4.13Å; Y350-V352 HydrophobicContact CE1-CG1 4.31Å
351	I	96.3	Very high	95.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	123.7	179.6	-57.2	167.2	0	0	0	107.1	E345 W346 P349 F482 A487 V489 V497 W499	E345-I351 HydrophobicContact CB-CB 4.38Å; E345-I351 HydrophobicContact CB-CG2 4.06Å; E345-I351 PolarHBondContact N-O 3.38Å; W346-I351 HydrophobicContact CB-CB 3.79Å; W346-I351 HydrophobicContact CB-CD1 3.77Å; W346-I351 HydrophobicContact CB-CG1 4Å; W346-I351 HydrophobicContact CG-CD1 4.26Å; W346-I351 PolarHBondContact N-O 2.84Å; W346-I351 VanDerWaalsContact N-O 3.07Å; W346-I351 PolarHBondContact O-N 2.92Å; W346-I351 VanDerWaalsContact O-N 3.08Å; P349-I351 HydrophobicContact CG-CD1 4.17Å; P349-I351 HydrophobicContact CG-CG1 4.19Å; P349-I351 PolarHBondContact O-N 2.85Å; P349-I351 VanDerWaalsContact O-N 3.07Å; I351-F482 HydrophobicContact CD1-CD1 4.04Å; I351-F482 HydrophobicContact CD1-CD2 3.63Å; I351-F482 HydrophobicContact CD1-CE1 3.95Å; I351-F482 HydrophobicContact CD1-CE2 3.55Å; I351-F482 HydrophobicContact CD1-CG 3.9Å; I351-F482 HydrophobicContact CD1-CZ 3.71Å; I351-F482 HydrophobicContact CG1-CE2 4.47Å; I351-F482 HydrophobicContact CG1-CZ 4.26Å; I351-A487 HydrophobicContact CD1-CB 4.06Å; I351-V489 HydrophobicContact CG2-CG2 4.18Å; I351-V497 HydrophobicContact CG2-CG1 3.58Å; I351-W499 HydrophobicContact CG1-CB 4.35Å
352	V	97.2	Very high	95.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	139.5	-175.2	68.8	0	0	0	0	110.7	Q342 Q343 Y350 Y354 V497 F498	Q342-V352 HydrophobicContact CG-CG2 3.19Å; Q343-V352 WeakPolarHBondContact O-CG2 3.44Å; Y350-V352 HydrophobicContact CE1-CB 4.13Å; Y350-V352 HydrophobicContact CE1-CG1 4.31Å; V352-Y354 HydrophobicContact CG1-CE2 3.82Å; V352-V497 CarbonylContact O-C 3.55Å; V352-V497 WeakPolarHBondContact O-CA 3.24Å; V352-F498 HydrophobicContact CG1-CB 3.85Å; V352-F498 HydrophobicContact CG1-CD1 3.81Å; V352-F498 HydrophobicContact CG1-CG 4.33Å; V352-F498 PolarHBondContact N-O 2.96Å; V352-F498 PolarHBondContact O-N 3.09Å
353	R	97.9	Very high	95.6	Very high	13 Å²	13	42.4 Å²	42.4	5%	0.049	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	135	172.6	-174.9	-176.7	-59.3	-112.9	11.4	110.7	Q342 Q343 E345 L355 W490 T495 A496 V497	Q342-R353 CarbonylContact C-O 3.6Å; Q342-R353 WeakPolarHBondContact CA-O 3.36Å; Q343-R353 PolarHBondContact N-O 2.8Å; Q343-R353 PolarHBondContact O-N 3.38Å; E345-R353 HydrophobicContact CG-CB 3.78Å; E345-R353 IonicContact OE1-CZ 3.22Å; E345-R353 VanDerWaalsContact OE1-CZ 3.23Å; E345-R353 IonicContact OE1-NE 3.64Å; E345-R353 PolarHBondContact OE1-NE 3.12Å; E345-R353 IonicContact OE1-NH2 2.84Å; E345-R353 PolarHBondContact OE1-NH2 2.88Å; R353-L355 HydrophobicContact CG-CD2 4.06Å; R353-W490 PolarHBondContact NH1-O 3.49Å; R353-W490 PolarHBondContact NH2-O 2.88Å; R353-T495 PolarHBondContact NH1-OG1 3Å; R353-A496 CarbonylContact C-O 3.55Å; R353-A496 VanDerWaalsContact CA-O 3.26Å; R353-A496 WeakPolarHBondContact CA-O 2.99Å; R353-A496 WeakPolarHBondContact CG-O 3.34Å; R353-V497 HydrophobicContact CB-CG2 4.07Å; R353-V497 HydrophobicContact CG-CG2 3.99Å
354	Y	98	Very high	95.6	Very high	8 Å²	8	44 Å²	44	3%	0.031	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	130.7	165.8	-60.8	-81.8	0	0	0	109.9	F327 V340 K341 Q342 V352 I418 W467 T495 A496 F498	F327-Y354 HydrophobicContact CD1-CE1 4.14Å; V340-Y354 HydrophobicContact CG2-CD1 3.89Å; V340-Y354 HydrophobicContact CG2-CE1 4.07Å; K341-Y354 CarbonylContact O-C 3.55Å; K341-Y354 WeakPolarHBondContact O-CA 3.5Å; Q342-Y354 HydrophobicContact CB-CD1 4.09Å; Q342-Y354 HydrophobicContact CB-CE1 3.99Å; Q342-Y354 HydrophobicContact CG-CD1 4.06Å; Q342-Y354 HydrophobicContact CG-CE1 3.63Å; Q342-Y354 VanDerWaalsContact NE2-CE1 3.34Å; Q342-Y354 PolarHBondContact NE2-OH 2.9Å; V352-Y354 HydrophobicContact CG1-CE2 3.82Å; Y354-I418 HydrophobicContact CD1-CG2 4.02Å; Y354-I418 HydrophobicContact CD2-CG2 4.48Å; Y354-I418 HydrophobicContact CE1-CG2 3.44Å; Y354-I418 VanDerWaalsContact CE1-CG2 3.44Å; Y354-I418 HydrophobicContact CE2-CG2 3.98Å; Y354-I418 HydrophobicContact CG-CG2 4.49Å; Y354-I418 VanDerWaalsContact CZ-CG2 3.42Å; Y354-W467 AromaticContact CD2-CH2 3.37Å; Y354-W467 HydrophobicContact CD2-CH2 3.37Å; Y354-W467 HydrophobicContact CD2-CZ2 4.16Å; Y354-W467 AromaticContact CD2-CZ3 3.7Å; Y354-W467 HydrophobicContact CD2-CZ3 3.7Å; Y354-W467 AromaticContact CE2-CH2 3.67Å; Y354-W467 HydrophobicContact CE2-CH2 3.67Å; Y354-W467 AromaticContact CE2-CZ3 3.52Å; Y354-W467 HydrophobicContact CE2-CZ3 3.52Å; Y354-W467 AromaticContact CG-CH2 3.96Å; Y354-W467 HydrophobicContact CG-CH2 3.96Å; Y354-T495 CarbonylContact O-C 3.57Å; Y354-T495 WeakPolarHBondContact O-CA 3.19Å; Y354-T495 VanDerWaalsContact O-CB 3.3Å; Y354-T495 WeakPolarHBondContact O-CB 3.34Å; Y354-A496 PolarHBondContact N-O 2.81Å; Y354-A496 PolarHBondContact O-N 3.36Å; Y354-F498 HydrophobicContact CE2-CB 3.95Å
355	L	97.4	Very high	95.7	Very high	33 Å²	33	46.4 Å²	46.4	17%	0.173	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	147.4	-178.4	-55.2	172.7	0	0	0	111	K341 R353 I357 T495	K341-L355 HydrophobicContact CB-CB 3.88Å; K341-L355 HydrophobicContact CB-CD1 4.37Å; K341-L355 HydrophobicContact CB-CG 4.47Å; K341-L355 HydrophobicContact CD-CB 4.35Å; K341-L355 PolarHBondContact O-N 3.02Å; R353-L355 HydrophobicContact CG-CD2 4.06Å; L355-I357 PolarHBondContact O-N 2.89Å; L355-T495 HydrophobicContact CD2-CG2 3.59Å
356	D	95.6	Very high	95.8	Very high	101 Å²	101	44.4 Å²	44.4	54%	0.54	22%	0.221	S	C	.	.	S	Bend	trans	53	37.9	175.6	-47.8	-36.4	0	0	0	113.3	K341 G494	K341-D356 IonicContact NZ-OD2 3.92Å; K341-D356 PolarHBondContact NZ-OD2 3.16Å; D356-G494 CarbonylContact C-O 3.51Å; D356-G494 WeakPolarHBondContact CA-O 3.3Å; D356-G494 PolarHBondContact N-O 2.8Å
357	I	96.1	Very high	95.8	Very high	12 Å²	12	44.3 Å²	44.3	6%	0.062	22%	0.222	C	C	.	.			trans	-94.3	-15.4	-167.1	-156.4	57.6	0	0	0	113.8	V340 L355 R414 I418 W467 F469 G494 A496	V340-I357 HydrophobicContact CB-CD1 4.22Å; V340-I357 HydrophobicContact CG1-CD1 3.8Å; L355-I357 PolarHBondContact O-N 2.89Å; I357-R414 WeakPolarHBondContact O-CD 3.2Å; I357-R414 PolarHBondContact O-NH1 3.03Å; I357-I418 HydrophobicContact CD1-CD1 3.51Å; I357-I418 HydrophobicContact CG1-CD1 3.77Å; I357-W467 HydrophobicContact CG1-CZ2 4.2Å; I357-F469 HydrophobicContact CG2-CD1 4.07Å; I357-F469 HydrophobicContact CG2-CE1 3.79Å; I357-G494 PolarHBondContact N-O 2.81Å; I357-A496 HydrophobicContact CG2-CB 3.64Å
358	I	97.1	Very high	96	Very high	6 Å²	6	48.5 Å²	48.5	3%	0.031	24%	0.24	C	C	.	.	S	Bend	trans	-135.9	130.6	173.5	-171.1	176	0	0	0	108.5	E362 I363 I411 F469	I358-E362 HydrophobicContact CD1-CB 4.24Å; I358-E362 HydrophobicContact CG1-CB 3.74Å; I358-I363 HydrophobicContact CD1-CG1 4.04Å; I358-I363 HydrophobicContact CG1-CG1 4.05Å; I358-I363 HydrophobicContact CG2-CD1 4.05Å; I358-I363 HydrophobicContact CG2-CG1 3.99Å; I358-I411 HydrophobicContact CD1-CD1 3.85Å; I358-I411 HydrophobicContact CD1-CG1 4.45Å; I358-F469 HydrophobicContact CB-CD1 4.14Å; I358-F469 HydrophobicContact CB-CE1 4.09Å; I358-F469 HydrophobicContact CG2-CD1 3.82Å; I358-F469 HydrophobicContact CG2-CE1 4.27Å
359	S	97.1	Very high	96.2	Very high	56 Å²	56	40.5 Å²	40.5	39%	0.392	21%	0.212	S	C	.	.			trans	-80.1	159.6	-176.1	65	0	0	0	0	112.4	A361 E362 I363	S359-A361 VanDerWaalsContact C-N 3.26Å; S359-A361 PolarHBondContact O-N 2.63Å; S359-E362 PolarHBondContact N-OE2 3.32Å; S359-E362 PolarHBondContact O-N 3.47Å; S359-E362 VanDerWaalsContact O-N 3.17Å; S359-E362 VanDerWaalsContact OG-CG 3.22Å; S359-E362 WeakPolarHBondContact OG-CG 3.44Å; S359-E362 PolarHBondContact OG-N 2.89Å; S359-E362 PolarHBondContact OG-OE2 3.33Å; S359-I363 WeakPolarHBondContact O-CG1 3.3Å; S359-I363 PolarHBondContact O-N 2.86Å
360	D	97.7	Very high	96.2	Very high	96 Å²	96	40.1 Å²	40.1	51%	0.513	21%	0.21	S	C	.	.	H	α-helix	trans	-57.6	-38.4	175.7	-80.6	-8.5	0	0	0	112.8	I363 E364 K493	D360-I363 PolarHBondContact O-N 2.91Å; D360-E364 WeakPolarHBondContact O-CG 3.41Å; D360-E364 PolarHBondContact O-N 3.37Å; D360-K493 WeakPolarHBondContact OD1-CE 3.36Å; D360-K493 IonicContact OD1-NZ 3.82Å; D360-K493 PolarHBondContact OD1-NZ 2.89Å; D360-K493 IonicContact OD2-NZ 4Å; D360-K493 PolarHBondContact OD2-NZ 2.91Å
361	A	98	Very high	95.9	Very high	75 Å²	75	40.9 Å²	40.9	62%	0.62	22%	0.215	S	C	*	.	H	α-helix	trans	-65.5	-41.4	177.5	0	0	0	0	0	112.2	S359 K365	S359-A361 VanDerWaalsContact C-N 3.26Å; S359-A361 PolarHBondContact O-N 2.63Å; A361-K365 WeakPolarHBondContact O-CB 3.19Å; A361-K365 PolarHBondContact O-N 2.87Å; A361-K365 VanDerWaalsContact O-N 3.12Å
362	E	97.8	Very high	95.5	Very high	18 Å²	18	45.1 Å²	45.1	8%	0.084	24%	0.242	C	C	.	.	H	α-helix	trans	-66.1	-44.3	175.1	-69.9	171.3	136.4	0	0	111	I358 S359 E364 K365 V366 V407 R414	I358-E362 HydrophobicContact CD1-CB 4.24Å; I358-E362 HydrophobicContact CG1-CB 3.74Å; S359-E362 PolarHBondContact N-OE2 3.32Å; S359-E362 PolarHBondContact O-N 3.47Å; S359-E362 VanDerWaalsContact O-N 3.17Å; S359-E362 VanDerWaalsContact OG-CG 3.22Å; S359-E362 WeakPolarHBondContact OG-CG 3.44Å; S359-E362 PolarHBondContact OG-N 2.89Å; S359-E362 PolarHBondContact OG-OE2 3.33Å; E362-E364 PolarHBondContact O-N 2.66Å; E362-K365 PolarHBondContact O-N 3.49Å; E362-V366 VanDerWaalsContact O-CG2 3.28Å; E362-V366 WeakPolarHBondContact O-CG2 3.44Å; E362-V366 PolarHBondContact O-N 2.87Å; E362-V407 HydrophobicContact CB-CG1 4.05Å; E362-V407 HydrophobicContact CG-CG1 4.05Å; E362-R414 IonicContact OE1-CZ 3.93Å; E362-R414 IonicContact OE1-NH1 3.28Å; E362-R414 PolarHBondContact OE1-NH1 3.41Å; E362-R414 IonicContact OE1-NH2 3.67Å; E362-R414 PolarHBondContact OE1-NH2 2.87Å; E362-R414 IonicContact OE2-CZ 2.73Å; E362-R414 IonicContact OE2-NH1 2.81Å; E362-R414 PolarHBondContact OE2-NH1 3.19Å; E362-R414 IonicContact OE2-NH2 2.8Å
363	I	97.6	Very high	95.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-55.3	-51.2	176.4	-74.4	168.8	0	0	0	111	I358 S359 D360 K365 V366 K367 M471 K493	I358-I363 HydrophobicContact CD1-CG1 4.04Å; I358-I363 HydrophobicContact CG1-CG1 4.05Å; I358-I363 HydrophobicContact CG2-CD1 4.05Å; I358-I363 HydrophobicContact CG2-CG1 3.99Å; S359-I363 WeakPolarHBondContact O-CG1 3.3Å; S359-I363 PolarHBondContact O-N 2.86Å; D360-I363 PolarHBondContact O-N 2.91Å; I363-K365 VanDerWaalsContact C-N 3.32Å; I363-K365 PolarHBondContact O-N 3.34Å; I363-V366 PolarHBondContact O-N 2.77Å; I363-K367 HydrophobicContact CG2-CD 4.13Å; I363-K367 VanDerWaalsContact CG2-CE 3.49Å; I363-K367 WeakPolarHBondContact O-CG 3.41Å; I363-K367 PolarHBondContact O-N 2.99Å; I363-M471 HydrophobicContact CG1-CB 4.29Å; I363-M471 HydrophobicContact CG1-CG 4.16Å; I363-M471 HydrophobicContact CG2-CB 3.91Å; I363-M471 HydrophobicContact CG2-CG 4.47Å; I363-M471 WeakPolarHBondContact CG2-O 3.33Å; I363-K493 HydrophobicContact CD1-CG 3.89Å
364	E	96.3	Very high	94.4	Very high	95 Å²	95	49.6 Å²	49.6	44%	0.444	26%	0.259	S	S	.	.	H	α-helix	trans	-67.7	-35	-176.9	-69.3	-51.7	125.3	0	0	111.9	D360 E362 K367 Q368	D360-E364 WeakPolarHBondContact O-CG 3.41Å; D360-E364 PolarHBondContact O-N 3.37Å; E362-E364 PolarHBondContact O-N 2.66Å; E364-K367 PolarHBondContact O-N 3.12Å; E364-K367 IonicContact OE1-NZ 2.68Å; E364-K367 PolarHBondContact OE1-NZ 3Å; E364-Q368 WeakPolarHBondContact O-CB 3.26Å; E364-Q368 PolarHBondContact O-N 2.86Å
365	K	96.9	Very high	93.6	Very high	62 Å²	62	55 Å²	55	27%	0.27	28%	0.28	S	S	.	.	H	α-helix	trans	-64.6	-45.1	173.6	-174.9	61.4	173.9	-176.7	0	112.1	A361 E362 I363 K367 Q368 L369 D405 V407	A361-K365 WeakPolarHBondContact O-CB 3.19Å; A361-K365 PolarHBondContact O-N 2.87Å; A361-K365 VanDerWaalsContact O-N 3.12Å; E362-K365 PolarHBondContact O-N 3.49Å; I363-K365 VanDerWaalsContact C-N 3.32Å; I363-K365 PolarHBondContact O-N 3.34Å; K365-K367 VanDerWaalsContact C-N 3.35Å; K365-K367 PolarHBondContact O-N 3.46Å; K365-Q368 WeakPolarHBondContact O-CB 3.49Å; K365-Q368 PolarHBondContact O-N 3.23Å; K365-L369 HydrophobicContact CG-CD1 4.4Å; K365-L369 WeakPolarHBondContact O-CG 3.37Å; K365-L369 PolarHBondContact O-N 3.17Å; K365-D405 WeakPolarHBondContact CE-OD2 3.11Å; K365-D405 IonicContact NZ-OD2 3.31Å; K365-D405 PolarHBondContact NZ-OD2 3.31Å; K365-V407 HydrophobicContact CB-CG2 4.4Å; K365-V407 HydrophobicContact CG-CB 4.33Å; K365-V407 HydrophobicContact CG-CG2 3.98Å
366	V	96.6	Very high	92.5	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-59.2	-46.2	175.1	170.2	0	0	0	0	110.6	E362 I363 Q368 L369 A370 L400 V407 I408 I411 L429 V431 M471	E362-V366 VanDerWaalsContact O-CG2 3.28Å; E362-V366 WeakPolarHBondContact O-CG2 3.44Å; E362-V366 PolarHBondContact O-N 2.87Å; I363-V366 PolarHBondContact O-N 2.77Å; V366-Q368 VanDerWaalsContact C-N 3.35Å; V366-Q368 PolarHBondContact O-N 2.9Å; V366-L369 PolarHBondContact O-N 2.95Å; V366-A370 WeakPolarHBondContact O-CB 3.32Å; V366-A370 PolarHBondContact O-N 3.48Å; V366-L400 HydrophobicContact CG1-CD1 3.99Å; V366-V407 HydrophobicContact CG2-CG1 4.23Å; V366-I408 HydrophobicContact CG2-CD1 3.81Å; V366-I411 HydrophobicContact CG2-CD1 3.84Å; V366-L429 HydrophobicContact CG1-CD2 4.41Å; V366-V431 HydrophobicContact CG1-CG2 3.5Å; V366-M471 HydrophobicContact CB-SD 4.25Å; V366-M471 HydrophobicContact CG1-CE 4.1Å; V366-M471 HydrophobicContact CG1-SD 3.74Å
367	K	93.8	Very high	91	Very high	19 Å²	19	51.1 Å²	51.1	8%	0.083	26%	0.26	C	S	.	.	H	α-helix	trans	-61	-42.2	175.7	-72	175.6	-172.9	161	0	112.1	I363 E364 K365 L369 A370 K371 M471 W525	I363-K367 HydrophobicContact CG2-CD 4.13Å; I363-K367 VanDerWaalsContact CG2-CE 3.49Å; I363-K367 WeakPolarHBondContact O-CG 3.41Å; I363-K367 PolarHBondContact O-N 2.99Å; E364-K367 PolarHBondContact O-N 3.12Å; E364-K367 IonicContact OE1-NZ 2.68Å; E364-K367 PolarHBondContact OE1-NZ 3Å; K365-K367 VanDerWaalsContact C-N 3.35Å; K365-K367 PolarHBondContact O-N 3.46Å; K367-L369 PolarHBondContact O-N 3.29Å; K367-A370 PolarHBondContact O-N 2.87Å; K367-K371 WeakPolarHBondContact O-CB 3.41Å; K367-K371 VanDerWaalsContact O-CG 3.28Å; K367-K371 WeakPolarHBondContact O-CG 3.43Å; K367-K371 PolarHBondContact O-N 2.99Å; K367-M471 WeakPolarHBondContact CE-O 3.47Å; K367-M471 PolarHBondContact NZ-O 2.81Å; K367-W525 HydrophobicContact CD-CD2 4.2Å; K367-W525 HydrophobicContact CD-CG 4.32Å; K367-W525 HydrophobicContact CG-CD2 3.99Å; K367-W525 HydrophobicContact CG-CE3 3.89Å; K367-W525 HydrophobicContact CG-CG 4.46Å; K367-W525 HydrophobicContact CG-CZ3 4.2Å
368	Q	93.2	Very high	89.3	Confident	124 Å²	124	54.5 Å²	54.5	58%	0.579	28%	0.281	S	S	*	.	H	α-helix	trans	-59.8	-45.3	178.7	-175.1	-173.6	13.5	0	0	111.6	E364 K365 V366 P372	E364-Q368 WeakPolarHBondContact O-CB 3.26Å; E364-Q368 PolarHBondContact O-N 2.86Å; K365-Q368 WeakPolarHBondContact O-CB 3.49Å; K365-Q368 PolarHBondContact O-N 3.23Å; V366-Q368 VanDerWaalsContact C-N 3.35Å; V366-Q368 PolarHBondContact O-N 2.9Å; Q368-P372 VanDerWaalsContact O-CD 3.32Å; Q368-P372 WeakPolarHBondContact O-CD 3.45Å
369	L	94	Very high	87.4	Confident	33 Å²	33	57 Å²	57	17%	0.173	29%	0.294	C	S	.	.	H	α-helix	trans	-67.6	-37	177.7	-65.1	170.4	0	0	0	112.1	K365 V366 K367 L400 D405 I408	K365-L369 HydrophobicContact CG-CD1 4.4Å; K365-L369 WeakPolarHBondContact O-CG 3.37Å; K365-L369 PolarHBondContact O-N 3.17Å; V366-L369 PolarHBondContact O-N 2.95Å; K367-L369 PolarHBondContact O-N 3.29Å; L369-L400 HydrophobicContact CB-CD1 4Å; L369-L400 HydrophobicContact CB-CD2 3.87Å; L369-D405 HydrophobicContact CD1-CB 3.68Å; L369-I408 HydrophobicContact CD1-CD1 4.37Å; L369-I408 HydrophobicContact CD1-CG1 4.42Å
370	A	92.2	Very high	84.7	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-76.1	-41.2	-177.2	0	0	0	0	0	114	V366 K367 R373 L374 A398 L400 V431	V366-A370 WeakPolarHBondContact O-CB 3.32Å; V366-A370 PolarHBondContact O-N 3.48Å; K367-A370 PolarHBondContact O-N 2.87Å; A370-R373 CarbonylContact O-C 3.56Å; A370-R373 PolarHBondContact O-N 3.41Å; A370-L374 PolarHBondContact O-N 2.87Å; A370-L374 VanDerWaalsContact O-N 3.12Å; A370-A398 HydrophobicContact CB-CB 4Å; A370-L400 HydrophobicContact CB-CD1 4.45Å; A370-V431 HydrophobicContact CB-CB 3.73Å; A370-V431 HydrophobicContact CB-CG1 3.5Å; A370-V431 HydrophobicContact CB-CG2 4.09Å
371	K	88.2	Confident	82.6	Confident	108 Å²	108	54.5 Å²	54.5	47%	0.47	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-43.9	-52.3	-174.8	-87	178.6	-178.5	-171.2	0	115	K367 R373 L374 W525	K367-K371 WeakPolarHBondContact O-CB 3.41Å; K367-K371 VanDerWaalsContact O-CG 3.28Å; K367-K371 WeakPolarHBondContact O-CG 3.43Å; K367-K371 PolarHBondContact O-N 2.99Å; K371-R373 PolarHBondContact O-N 3.45Å; K371-L374 PolarHBondContact O-N 3.45Å; K371-W525 HydrophobicContact CG-CH2 3.92Å; K371-W525 HydrophobicContact CG-CZ2 4.49Å
372	P	87.4	Confident	80.2	Confident	89 Å²	89	57.1 Å²	57.1	58%	0.578	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-66.3	-23	-177.9	24.7	-33.7	0	0	0	113.7	Q368 R375	Q368-P372 VanDerWaalsContact O-CD 3.32Å; Q368-P372 WeakPolarHBondContact O-CD 3.45Å; P372-R375 PolarHBondContact O-NH1 3.29Å
373	R	87.6	Confident	78.4	Confident	104 Å²	104	62.6 Å²	62.6	39%	0.392	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-101	-2.5	-174.6	-61.4	177.4	-174.9	148.9	-18.5	113.9	A370 K371 R375 A398 L400 E404	A370-R373 CarbonylContact O-C 3.56Å; A370-R373 PolarHBondContact O-N 3.41Å; K371-R373 PolarHBondContact O-N 3.45Å; R373-R375 PolarHBondContact O-N 3.22Å; R373-R375 VanDerWaalsContact O-N 3.14Å; R373-A398 HydrophobicContact CB-CB 3.84Å; R373-L400 VanDerWaalsContact NH1-CD2 3.3Å; R373-E404 IonicContact CZ-OE1 2.7Å; R373-E404 IonicContact CZ-OE2 3.33Å; R373-E404 IonicContact NH1-OE1 3.28Å; R373-E404 PolarHBondContact NH1-OE1 3.33Å; R373-E404 IonicContact NH1-OE2 3.71Å; R373-E404 PolarHBondContact NH1-OE2 2.97Å; R373-E404 IonicContact NH2-OE1 2.86Å; R373-E404 PolarHBondContact NH2-OE1 2.9Å; R373-E404 IonicContact NH2-OE2 3.01Å
374	L	83.9	Confident	76.7	Confident	3 Å²	3	66.4 Å²	66.4	2%	0.016	35%	0.351	C	S	.	.			trans	-59.4	118.7	178	-76.9	-179.6	0	0	0	110.3	A370 K371 K396 A398 N433 W525	A370-L374 PolarHBondContact O-N 2.87Å; A370-L374 VanDerWaalsContact O-N 3.12Å; K371-L374 PolarHBondContact O-N 3.45Å; L374-K396 HydrophobicContact CB-CB 3.82Å; L374-K396 HydrophobicContact CB-CD 4.25Å; L374-K396 HydrophobicContact CD2-CB 4.1Å; L374-K396 HydrophobicContact CG-CB 4.38Å; L374-A398 HydrophobicContact CD2-CB 4.13Å; L374-N433 HydrophobicContact CD1-CB 4.05Å; L374-N433 HydrophobicContact CD2-CB 4.5Å; L374-W525 HydrophobicContact CD1-CH2 3.63Å; L374-W525 HydrophobicContact CD1-CZ3 4.11Å
375	R	80.5	Confident	74.5	Confident	121 Å²	121	64.4 Å²	64.4	46%	0.457	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	150.7	175	-62.1	-64.2	-179.1	-89.3	-1.4	109.8	P372 R373 K396 S397	P372-R375 PolarHBondContact O-NH1 3.29Å; R373-R375 PolarHBondContact O-N 3.22Å; R373-R375 VanDerWaalsContact O-N 3.14Å; R375-K396 CarbonylContact O-C 3.57Å; R375-K396 VanDerWaalsContact O-CA 3.31Å; R375-K396 WeakPolarHBondContact O-CA 3.4Å; R375-S397 PolarHBondContact N-O 2.86Å; R375-S397 PolarHBondContact O-N 3.44Å
376	R	74.5	Confident	72.8	Confident	29 Å²	29	65.5 Å²	65.5	11%	0.109	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	150.6	172.2	-79.7	-172.7	74.8	-170.5	-5.5	110.1	D27 T30 T378 T389 A390 K396	D27-R376 WeakPolarHBondContact OD2-CD 3.3Å; D27-R376 IonicContact OD2-CZ 3.67Å; D27-R376 IonicContact OD2-NE 3.42Å; D27-R376 IonicContact OD2-NH1 3.82Å; D27-R376 PolarHBondContact OD2-NH1 3.3Å; T30-R376 HydrophobicContact CG2-CG 4.34Å; R376-T378 PolarHBondContact O-N 3.49Å; R376-T389 VanDerWaalsContact CZ-CB 3.4Å; R376-T389 PolarHBondContact NH1-OG1 2.77Å; R376-T389 VanDerWaalsContact NH2-CB 3.3Å; R376-T389 PolarHBondContact NH2-OG1 3.06Å; R376-A390 PolarHBondContact NH2-O 2.68Å; R376-K396 HydrophobicContact CG-CG 4.08Å
377	A	64.1	Low	70.6	Confident	24 Å²	24	71.1 Å²	71.1	20%	0.198	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-68.3	124.1	168.6	0	0	0	0	0	109.7	A390	A377-A390 PolarHBondContact O-N 2.74Å; A377-A390 VanDerWaalsContact O-N 3.17Å
378	T	61	Low	69.1	Low	82 Å²	82	74.1 Å²	74.1	50%	0.503	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	135.1	171.5	52.2	0	0	0	0	109.6	R376 E388	R376-T378 PolarHBondContact O-N 3.49Å; T378-E388 CarbonylContact C-O 3.59Å; T378-E388 VanDerWaalsContact CA-O 3.27Å; T378-E388 WeakPolarHBondContact CA-O 3.33Å
379	I	56.2	Low	67.4	Low	59 Å²	59	70 Å²	70	30%	0.303	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	144.2	170.5	54	169.7	0	0	0	109	N381 L387 E388 A390 Y392	I379-N381 PolarHBondContact O-N 2.92Å; I379-L387 CarbonylContact O-C 3.44Å; I379-L387 WeakPolarHBondContact O-CA 3.44Å; I379-E388 WeakPolarHBondContact CG1-O 3.32Å; I379-E388 PolarHBondContact N-O 3.03Å; I379-E388 PolarHBondContact O-N 2.77Å; I379-A390 HydrophobicContact CG2-CB 4.12Å; I379-Y392 HydrophobicContact CD1-CE1 4.31Å; I379-Y392 HydrophobicContact CG2-CE1 4.25Å; I379-Y392 WeakPolarHBondContact CG2-OH 3.42Å
380	S	41.4	Very low	65.5	Low	73 Å²	73	68.4 Å²	68.4	51%	0.51	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	120.9	167.2	-174.8	0	0	0	0	108.3	P382	S380-P382 WeakPolarHBondContact O-CD 3.25Å
381	N	54.2	Low	63.8	Low	26 Å²	26	75.4 Å²	75.4	14%	0.139	42%	0.418	C	S	.	.			trans	-62.1	122.1	172.3	179	-34.9	0	0	0	108.3	I379 V383 T384 G385 V386 E388	I379-N381 PolarHBondContact O-N 2.92Å; N381-V383 PolarHBondContact O-N 2.91Å; N381-V383 WeakPolarHBondContact OD1-CA 3.45Å; N381-V383 WeakPolarHBondContact OD1-CB 3.06Å; N381-V383 PolarHBondContact OD1-N 2.79Å; N381-T384 WeakPolarHBondContact CB-OG1 2.93Å; N381-T384 PolarHBondContact ND2-OG1 2.85Å; N381-T384 PolarHBondContact OD1-N 3.22Å; N381-T384 VanDerWaalsContact OD1-N 3.17Å; N381-G385 VanDerWaalsContact O-CA 3.26Å; N381-G385 WeakPolarHBondContact O-CA 3.07Å; N381-G385 PolarHBondContact O-N 2.79Å; N381-V386 WeakPolarHBondContact CB-O 3.42Å; N381-V386 PolarHBondContact N-O 3.04Å; N381-E388 HydrophobicContact CB-CG 4.18Å; N381-E388 PolarHBondContact ND2-OE1 3.01Å; N381-E388 PolarHBondContact ND2-OE2 2.88Å; N381-E388 VanDerWaalsContact ND2-OE2 3.11Å
382	P	47	Very low	62.3	Low	130 Å²	130	74.8 Å²	74.8	84%	0.844	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-16.7	-175.1	25	-32	0	0	0	113.6	S380	S380-P382 WeakPolarHBondContact O-CD 3.25Å
383	V	58.9	Low	60.8	Low	133 Å²	133	71.8 Å²	71.8	81%	0.806	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-46.1	179.2	-177.4	0	0	0	0	111.4	N381	N381-V383 PolarHBondContact O-N 2.91Å; N381-V383 WeakPolarHBondContact OD1-CA 3.45Å; N381-V383 WeakPolarHBondContact OD1-CB 3.06Å; N381-V383 PolarHBondContact OD1-N 2.79Å
384	T	62.8	Low	60	Low	80 Å²	80	67.6 Å²	67.6	49%	0.491	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-17.1	-173.2	64.6	0	0	0	0	113.3	N381 V386	N381-T384 WeakPolarHBondContact CB-OG1 2.93Å; N381-T384 PolarHBondContact ND2-OG1 2.85Å; N381-T384 PolarHBondContact OD1-N 3.22Å; N381-T384 VanDerWaalsContact OD1-N 3.17Å; T384-V386 PolarHBondContact O-N 2.78Å; T384-V386 PolarHBondContact OG1-N 2.8Å
385	G	49.9	Very low	59.6	Low	53 Å²	53	67.4 Å²	67.4	55%	0.546	38%	0.375	S	S	.	.			trans	69.5	1.9	-173.6	0	0	0	0	0	114.2	N381	N381-G385 VanDerWaalsContact O-CA 3.26Å; N381-G385 WeakPolarHBondContact O-CA 3.07Å; N381-G385 PolarHBondContact O-N 2.79Å
386	V	62.4	Low	59.6	Low	86 Å²	86	61.9 Å²	61.9	52%	0.521	36%	0.355	S	S	.	.			trans	-81.9	139.5	179.2	-179.1	0	0	0	0	109.5	N381 T384 E388	N381-V386 WeakPolarHBondContact CB-O 3.42Å; N381-V386 PolarHBondContact N-O 3.04Å; T384-V386 PolarHBondContact O-N 2.78Å; T384-V386 PolarHBondContact OG1-N 2.8Å; V386-E388 PolarHBondContact O-N 2.87Å
387	L	50.3	Low	60.2	Low	118 Å²	118	61.2 Å²	61.2	62%	0.618	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	111.9	171.7	-68.2	174	0	0	0	109.5	I379	I379-L387 CarbonylContact O-C 3.44Å; I379-L387 WeakPolarHBondContact O-CA 3.44Å
388	E	60.4	Low	61.5	Low	82 Å²	82	60.2 Å²	60.2	38%	0.383	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	154.5	176.2	-73.6	177.1	-173.9	0	0	110.4	T378 I379 N381 V386	T378-E388 CarbonylContact C-O 3.59Å; T378-E388 VanDerWaalsContact CA-O 3.27Å; T378-E388 WeakPolarHBondContact CA-O 3.33Å; I379-E388 WeakPolarHBondContact CG1-O 3.32Å; I379-E388 PolarHBondContact N-O 3.03Å; I379-E388 PolarHBondContact O-N 2.77Å; N381-E388 HydrophobicContact CB-CG 4.18Å; N381-E388 PolarHBondContact ND2-OE1 3.01Å; N381-E388 PolarHBondContact ND2-OE2 2.88Å; N381-E388 VanDerWaalsContact ND2-OE2 3.11Å; V386-E388 PolarHBondContact O-N 2.87Å
389	T	59.4	Low	62.9	Low	36 Å²	36	60.9 Å²	60.9	22%	0.221	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	136.5	177.7	67.3	0	0	0	0	110.8	R376 H391	R376-T389 VanDerWaalsContact CZ-CB 3.4Å; R376-T389 PolarHBondContact NH1-OG1 2.77Å; R376-T389 VanDerWaalsContact NH2-CB 3.3Å; R376-T389 PolarHBondContact NH2-OG1 3.06Å; T389-H391 PolarHBondContact O-N 3.05Å
390	A	53.7	Low	64.7	Low	0 Å²	0	58.1 Å²	58.1	0%	0	33%	0.325	C	S	.	.			trans	-68.9	116.1	179.1	0	0	0	0	0	110.8	R376 A377 I379 Y392 R393	R376-A390 PolarHBondContact NH2-O 2.68Å; A377-A390 PolarHBondContact O-N 2.74Å; A377-A390 VanDerWaalsContact O-N 3.17Å; I379-A390 HydrophobicContact CG2-CB 4.12Å; A390-Y392 VanDerWaalsContact C-N 3.3Å; A390-Y392 HydrophobicContact CB-CD1 4.05Å; A390-Y392 HydrophobicContact CB-CE1 3.69Å; A390-Y392 HydrophobicContact CB-CE2 4.24Å; A390-Y392 HydrophobicContact CB-CG 4.48Å; A390-R393 HydrophobicContact CB-CB 4.34Å
391	H	56.2	Low	67.2	Low	147 Å²	147	55.1 Å²	55.1	68%	0.681	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-26.7	174.7	-66.9	-67.7	0	0	0	112.8	T389	T389-H391 PolarHBondContact O-N 3.05Å
392	Y	55.9	Low	68.8	Low	96 Å²	96	55.9 Å²	55.9	38%	0.376	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-13.2	179.8	63.3	-97.5	0	0	0	114.2	I379 A390 Y440 E441	I379-Y392 HydrophobicContact CD1-CE1 4.31Å; I379-Y392 HydrophobicContact CG2-CE1 4.25Å; I379-Y392 WeakPolarHBondContact CG2-OH 3.42Å; A390-Y392 VanDerWaalsContact C-N 3.3Å; A390-Y392 HydrophobicContact CB-CD1 4.05Å; A390-Y392 HydrophobicContact CB-CE1 3.69Å; A390-Y392 HydrophobicContact CB-CE2 4.24Å; A390-Y392 HydrophobicContact CB-CG 4.48Å; Y392-Y440 HydrophobicContact CD2-CE2 4.25Å; Y392-Y440 HydrophobicContact CE2-CE2 4.24Å; Y392-E441 VanDerWaalsContact CB-CD 3.41Å; Y392-E441 VanDerWaalsContact CB-OE2 3.23Å; Y392-E441 WeakPolarHBondContact CB-OE2 3.04Å; Y392-E441 WeakPolarHBondContact O-CG 3.23Å; Y392-E441 PolarHBondContact O-N 2.87Å
393	R	56.8	Low	70.8	Confident	25 Å²	25	59 Å²	59	9%	0.094	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-128.7	100.6	178.2	-174.2	177.7	178.2	-178.4	3.5	110.3	A390 S395 Y440	A390-R393 HydrophobicContact CB-CB 4.34Å; R393-S395 PolarHBondContact NE-OG 3.07Å; R393-S395 PolarHBondContact O-N 2.87Å; R393-Y440 HydrophobicContact CB-CD2 3.82Å; R393-Y440 HydrophobicContact CB-CE2 4.02Å; R393-Y440 HydrophobicContact CG-CD2 3.74Å; R393-Y440 HydrophobicContact CG-CE2 4.02Å; R393-Y440 HydrophobicContact CG-CG 4.18Å
394	I	69.9	Low	72.2	Confident	16 Å²	16	55.5 Å²	55.5	8%	0.082	28%	0.282	C	S	.	.			trans	-104.5	75.2	-178.7	-49.1	-145.6	0	0	0	108.5	F29 T30 G438 Q439	F29-I394 HydrophobicContact CE2-CG2 4.16Å; T30-I394 HydrophobicContact CG2-CG2 3.82Å; I394-G438 CarbonylContact O-C 3.58Å; I394-G438 WeakPolarHBondContact O-CA 3.46Å; I394-Q439 PolarHBondContact N-O 2.92Å; I394-Q439 PolarHBondContact O-N 3.04Å
395	S	75.5	Confident	73.7	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.266	C	S	.	.			trans	-150.2	152.1	175.7	64.2	0	0	0	0	109.6	R393 N433	R393-S395 PolarHBondContact NE-OG 3.07Å; R393-S395 PolarHBondContact O-N 2.87Å; S395-N433 WeakPolarHBondContact CA-O 3.42Å
396	K	80.8	Confident	76	Confident	5 Å²	5	54.6 Å²	54.6	2%	0.022	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	141	161.3	-59.8	-163.4	-176.4	-169.7	0	109.8	D27 T30 L374 R375 R376 A432 N433	D27-K396 WeakPolarHBondContact O-CE 3.4Å; D27-K396 PolarHBondContact O-NZ 3.25Å; T30-K396 WeakPolarHBondContact OG1-CE 3.49Å; T30-K396 WeakPolarHBondContact OG1-CG 3.17Å; L374-K396 HydrophobicContact CB-CB 3.82Å; L374-K396 HydrophobicContact CB-CD 4.25Å; L374-K396 HydrophobicContact CD2-CB 4.1Å; L374-K396 HydrophobicContact CG-CB 4.38Å; R375-K396 CarbonylContact O-C 3.57Å; R375-K396 VanDerWaalsContact O-CA 3.31Å; R375-K396 WeakPolarHBondContact O-CA 3.4Å; R376-K396 HydrophobicContact CG-CG 4.08Å; K396-A432 CarbonylContact O-C 3.37Å; K396-A432 WeakPolarHBondContact O-CA 3.11Å; K396-N433 PolarHBondContact N-O 2.85Å; K396-N433 PolarHBondContact O-N 2.78Å
397	S	87	Confident	77.6	Confident	14 Å²	14	51.1 Å²	51.1	10%	0.098	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	150.2	177.4	41	0	0	0	0	111.6	R375 V431	R375-S397 PolarHBondContact N-O 2.86Å; R375-S397 PolarHBondContact O-N 3.44Å; S397-V431 CarbonylContact C-O 3.52Å; S397-V431 WeakPolarHBondContact CA-O 3.13Å
398	A	90.8	Very high	79.8	Confident	3 Å²	3	45.5 Å²	45.5	3%	0.025	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	155.8	168.9	0	0	0	0	0	108.1	A370 R373 L374 Q430 V431	A370-A398 HydrophobicContact CB-CB 4Å; R373-A398 HydrophobicContact CB-CB 3.84Å; L374-A398 HydrophobicContact CD2-CB 4.13Å; A398-Q430 CarbonylContact O-C 3.47Å; A398-Q430 WeakPolarHBondContact O-CA 3.34Å; A398-V431 PolarHBondContact N-O 3.5Å; A398-V431 PolarHBondContact O-N 2.82Å
399	W	92.3	Very high	81.5	Confident	97 Å²	97	45.1 Å²	45.1	37%	0.367	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	134.3	176.4	-61	90.1	0	0	0	108.8	E427 E428 Q430 W530	W399-E427 WeakPolarHBondContact CH2-OE2 2.99Å; W399-E427 HydrophobicContact CZ3-CB 4.35Å; W399-E428 HydrophobicContact CB-CB 4.27Å; W399-E428 VanDerWaalsContact CB-OE2 3.25Å; W399-E428 WeakPolarHBondContact CB-OE2 3.36Å; W399-E428 HydrophobicContact CE3-CB 3.87Å; W399-Q430 HydrophobicContact CD2-CB 4.13Å; W399-Q430 HydrophobicContact CD2-CG 4.27Å; W399-Q430 HydrophobicContact CE3-CB 3.69Å; W399-Q430 HydrophobicContact CE3-CG 4.31Å; W399-Q430 HydrophobicContact CH2-CB 4.29Å; W399-Q430 HydrophobicContact CZ2-CG 4.38Å; W399-Q430 VanDerWaalsContact CZ2-NE2 3.3Å; W399-Q430 HydrophobicContact CZ3-CB 3.8Å; W399-Q430 HydrophobicContact CZ3-CG 4.47Å; W399-W530 AromaticContact CH2-CE3 3.93Å; W399-W530 HydrophobicContact CH2-CE3 3.93Å; W399-W530 HydrophobicContact CH2-CH2 4.42Å; W399-W530 AromaticContact CH2-CZ3 3.35Å; W399-W530 HydrophobicContact CH2-CZ3 3.35Å; W399-W530 HydrophobicContact CZ2-CZ3 4.19Å; W399-W530 HydrophobicContact CZ3-CE3 4.06Å; W399-W530 AromaticContact CZ3-CZ3 3.77Å; W399-W530 HydrophobicContact CZ3-CZ3 3.77Å
400	L	93.7	Very high	83.3	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	128.6	-177.7	-55.9	179.6	0	0	0	109.2	V366 L369 A370 R373 E404 I408 L429 V431	V366-L400 HydrophobicContact CG1-CD1 3.99Å; L369-L400 HydrophobicContact CB-CD1 4Å; L369-L400 HydrophobicContact CB-CD2 3.87Å; A370-L400 HydrophobicContact CB-CD1 4.45Å; R373-L400 VanDerWaalsContact NH1-CD2 3.3Å; L400-E404 WeakPolarHBondContact CD2-OE2 3.13Å; L400-I408 HydrophobicContact CB-CD1 4.27Å; L400-I408 HydrophobicContact CB-CG1 4.42Å; L400-I408 HydrophobicContact CD1-CD1 3.91Å; L400-L429 HydrophobicContact CB-CB 4.41Å; L400-L429 PolarHBondContact N-O 2.73Å; L400-L429 PolarHBondContact O-N 3.33Å; L400-V431 HydrophobicContact CD1-CG2 3.75Å; L400-V431 HydrophobicContact CG-CG2 4.21Å
401	T	92.3	Very high	85.3	Confident	10 Å²	10	48.6 Å²	48.6	6%	0.061	22%	0.224	C	C	.	.			trans	-96.3	161.1	-180	74.2	0	0	0	0	111	Y403 E404 E428	T401-Y403 VanDerWaalsContact C-N 3.27Å; T401-Y403 VanDerWaalsContact CB-CZ 3.49Å; T401-Y403 HydrophobicContact CG2-CE1 3.78Å; T401-Y403 HydrophobicContact CG2-CE2 4.17Å; T401-Y403 VanDerWaalsContact CG2-OH 3.26Å; T401-Y403 WeakPolarHBondContact CG2-OH 3.39Å; T401-Y403 PolarHBondContact O-N 3.07Å; T401-Y403 WeakPolarHBondContact OG1-CD1 3.33Å; T401-Y403 WeakPolarHBondContact OG1-CD2 3.32Å; T401-Y403 WeakPolarHBondContact OG1-CE1 3.45Å; T401-Y403 WeakPolarHBondContact OG1-CE2 3.47Å; T401-E404 PolarHBondContact O-N 3.32Å; T401-E404 WeakPolarHBondContact OG1-CG 3.22Å; T401-E428 HydrophobicContact CG2-CG 3.73Å; T401-E428 VanDerWaalsContact CG2-OE1 3.25Å; T401-E428 WeakPolarHBondContact CG2-OE1 3.43Å
402	S	88.2	Confident	87.3	Confident	43 Å²	43	41.9 Å²	41.9	30%	0.301	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-35.7	176.9	-80.1	0	0	0	0	114.5	E404 E409 N412	S402-E404 VanDerWaalsContact C-N 3.27Å; S402-E404 PolarHBondContact O-N 2.89Å; S402-E409 WeakPolarHBondContact CB-OE2 3.42Å; S402-E409 PolarHBondContact OG-OE2 3.2Å; S402-N412 PolarHBondContact OG-ND2 3.08Å
403	Y	88.9	Confident	89.2	Confident	194 Å²	194	40.9 Å²	40.9	76%	0.761	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-9.3	-175.2	51.3	-98.6	0	0	0	113.6	T401	T401-Y403 VanDerWaalsContact C-N 3.27Å; T401-Y403 VanDerWaalsContact CB-CZ 3.49Å; T401-Y403 HydrophobicContact CG2-CE1 3.78Å; T401-Y403 HydrophobicContact CG2-CE2 4.17Å; T401-Y403 VanDerWaalsContact CG2-OH 3.26Å; T401-Y403 WeakPolarHBondContact CG2-OH 3.39Å; T401-Y403 PolarHBondContact O-N 3.07Å; T401-Y403 WeakPolarHBondContact OG1-CD1 3.33Å; T401-Y403 WeakPolarHBondContact OG1-CD2 3.32Å; T401-Y403 WeakPolarHBondContact OG1-CE1 3.45Å; T401-Y403 WeakPolarHBondContact OG1-CE2 3.47Å
404	E	89.1	Confident	91	Very high	60 Å²	60	42.3 Å²	42.3	28%	0.28	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-38	179.6	-75.9	-176.3	156.1	0	0	113.4	R373 L400 T401 S402	R373-E404 IonicContact CZ-OE1 2.7Å; R373-E404 IonicContact CZ-OE2 3.33Å; R373-E404 IonicContact NH1-OE1 3.28Å; R373-E404 PolarHBondContact NH1-OE1 3.33Å; R373-E404 IonicContact NH1-OE2 3.71Å; R373-E404 PolarHBondContact NH1-OE2 2.97Å; R373-E404 IonicContact NH2-OE1 2.86Å; R373-E404 PolarHBondContact NH2-OE1 2.9Å; R373-E404 IonicContact NH2-OE2 3.01Å; L400-E404 WeakPolarHBondContact CD2-OE2 3.13Å; T401-E404 PolarHBondContact O-N 3.32Å; T401-E404 WeakPolarHBondContact OG1-CG 3.22Å; S402-E404 VanDerWaalsContact C-N 3.27Å; S402-E404 PolarHBondContact O-N 2.89Å
405	D	95.2	Very high	92.3	Very high	28 Å²	28	41.5 Å²	41.5	15%	0.15	19%	0.193	C	C	.	.			trans	-157.6	138.6	178.6	-165.2	-79.6	0	0	0	111.2	K365 L369 V407 I408	K365-D405 WeakPolarHBondContact CE-OD2 3.11Å; K365-D405 IonicContact NZ-OD2 3.31Å; K365-D405 PolarHBondContact NZ-OD2 3.31Å; L369-D405 HydrophobicContact CD1-CB 3.68Å; D405-V407 PolarHBondContact O-N 3.07Å; D405-V407 WeakPolarHBondContact OD1-CB 3.48Å; D405-V407 WeakPolarHBondContact OD1-CG2 3.47Å; D405-V407 PolarHBondContact OD1-N 3.2Å; D405-I408 HydrophobicContact CB-CG1 4.41Å; D405-I408 PolarHBondContact O-N 3.09Å
406	P	96.7	Very high	93.3	Very high	86 Å²	86	43.9 Å²	43.9	56%	0.558	20%	0.204	S	C	*	.	H	α-helix	trans	-55.7	-21.9	176.7	-27.1	35.3	0	0	0	114.9	I408 R410	P406-I408 VanDerWaalsContact C-N 3.34Å; P406-R410 WeakPolarHBondContact O-CG 3.36Å; P406-R410 PolarHBondContact O-N 3.35Å; P406-R410 VanDerWaalsContact O-N 3.09Å; P406-R410 PolarHBondContact O-NH1 3.01Å
407	V	97.1	Very high	94.1	Very high	13 Å²	13	43.7 Å²	43.7	8%	0.079	20%	0.203	C	C	.	.	H	α-helix	trans	-61	-42.3	172.1	168	0	0	0	0	111.6	E362 K365 V366 D405 E409 R410 I411	E362-V407 HydrophobicContact CB-CG1 4.05Å; E362-V407 HydrophobicContact CG-CG1 4.05Å; K365-V407 HydrophobicContact CB-CG2 4.4Å; K365-V407 HydrophobicContact CG-CB 4.33Å; K365-V407 HydrophobicContact CG-CG2 3.98Å; V366-V407 HydrophobicContact CG2-CG1 4.23Å; D405-V407 PolarHBondContact O-N 3.07Å; D405-V407 WeakPolarHBondContact OD1-CB 3.48Å; D405-V407 WeakPolarHBondContact OD1-CG2 3.47Å; D405-V407 PolarHBondContact OD1-N 3.2Å; V407-E409 VanDerWaalsContact C-N 3.34Å; V407-R410 PolarHBondContact O-N 2.89Å; V407-I411 HydrophobicContact CG1-CD1 3.9Å; V407-I411 VanDerWaalsContact O-CG1 3.32Å; V407-I411 WeakPolarHBondContact O-CG1 3.48Å; V407-I411 PolarHBondContact O-N 3.11Å
408	I	96.4	Very high	94.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-67	-41.6	-177.6	-52.3	-55.5	0	0	0	110	V366 L369 L400 D405 P406 I411 N412 L429	V366-I408 HydrophobicContact CG2-CD1 3.81Å; L369-I408 HydrophobicContact CD1-CD1 4.37Å; L369-I408 HydrophobicContact CD1-CG1 4.42Å; L400-I408 HydrophobicContact CB-CD1 4.27Å; L400-I408 HydrophobicContact CB-CG1 4.42Å; L400-I408 HydrophobicContact CD1-CD1 3.91Å; D405-I408 HydrophobicContact CB-CG1 4.41Å; D405-I408 PolarHBondContact O-N 3.09Å; P406-I408 VanDerWaalsContact C-N 3.34Å; I408-I411 WeakPolarHBondContact O-CB 3.44Å; I408-I411 PolarHBondContact O-N 2.84Å; I408-N412 PolarHBondContact O-N 2.61Å; I408-L429 HydrophobicContact CD1-CD2 3.97Å; I408-L429 HydrophobicContact CG2-CB 4.27Å; I408-L429 HydrophobicContact CG2-CD2 4.4Å
409	E	95.9	Very high	94.7	Very high	75 Å²	75	43.7 Å²	43.7	35%	0.35	20%	0.202	S	C	.	.	H	α-helix	trans	-63.3	-45.6	176.7	-173.6	56.5	-160.5	0	0	112.2	S402 V407 I411 N412 E413	S402-E409 WeakPolarHBondContact CB-OE2 3.42Å; S402-E409 PolarHBondContact OG-OE2 3.2Å; V407-E409 VanDerWaalsContact C-N 3.34Å; E409-I411 PolarHBondContact O-N 3.17Å; E409-N412 PolarHBondContact O-N 3.46Å; E409-N412 VanDerWaalsContact O-N 3.07Å; E409-E413 WeakPolarHBondContact O-CG 3.22Å; E409-E413 PolarHBondContact O-N 3.18Å
410	R	96.3	Very high	94.8	Very high	109 Å²	109	40.3 Å²	40.3	41%	0.411	20%	0.197	S	C	.	.	H	α-helix	trans	-60.4	-30.7	174.8	-72.9	-167.6	-52.5	-87.5	8.1	113.3	P406 V407 R414	P406-R410 WeakPolarHBondContact O-CG 3.36Å; P406-R410 PolarHBondContact O-N 3.35Å; P406-R410 VanDerWaalsContact O-N 3.09Å; P406-R410 PolarHBondContact O-NH1 3.01Å; V407-R410 PolarHBondContact O-N 2.89Å; R410-R414 WeakPolarHBondContact O-CB 3.36Å; R410-R414 PolarHBondContact O-N 2.77Å
411	I	96.9	Very high	94.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-68.5	-48.1	173.8	-72.4	166.4	0	0	0	109.9	I358 V366 V407 I408 E409 R414 I415 F469	I358-I411 HydrophobicContact CD1-CD1 3.85Å; I358-I411 HydrophobicContact CD1-CG1 4.45Å; V366-I411 HydrophobicContact CG2-CD1 3.84Å; V407-I411 HydrophobicContact CG1-CD1 3.9Å; V407-I411 VanDerWaalsContact O-CG1 3.32Å; V407-I411 WeakPolarHBondContact O-CG1 3.48Å; V407-I411 PolarHBondContact O-N 3.11Å; I408-I411 WeakPolarHBondContact O-CB 3.44Å; I408-I411 PolarHBondContact O-N 2.84Å; E409-I411 PolarHBondContact O-N 3.17Å; I411-R414 WeakPolarHBondContact O-CB 3.22Å; I411-R414 PolarHBondContact O-N 3.37Å; I411-R414 VanDerWaalsContact O-N 3.17Å; I411-I415 HydrophobicContact CG2-CD1 3.93Å; I411-I415 HydrophobicContact CG2-CG1 4.49Å; I411-I415 WeakPolarHBondContact O-CG1 3.28Å; I411-I415 PolarHBondContact O-N 2.94Å; I411-F469 HydrophobicContact CG2-CE2 3.59Å; I411-F469 HydrophobicContact CG2-CZ 3.72Å
412	N	96.7	Very high	95	Very high	6 Å²	6	42.3 Å²	42.3	3%	0.032	21%	0.206	C	C	.	.	H	α-helix	trans	-60	-48.3	178	-70.8	-27.8	0	0	0	111.7	S402 I408 E409 R414 I415 E416 K529	S402-N412 PolarHBondContact OG-ND2 3.08Å; I408-N412 PolarHBondContact O-N 2.61Å; E409-N412 PolarHBondContact O-N 3.46Å; E409-N412 VanDerWaalsContact O-N 3.07Å; N412-R414 PolarHBondContact O-N 2.9Å; N412-I415 PolarHBondContact O-N 3.45Å; N412-I415 VanDerWaalsContact O-N 3.09Å; N412-E416 PolarHBondContact O-N 3.03Å; N412-K529 WeakPolarHBondContact OD1-CE 3.48Å; N412-K529 PolarHBondContact OD1-NZ 3.44Å
413	E	95.8	Very high	95.3	Very high	75 Å²	75	41 Å²	41	35%	0.35	20%	0.195	S	C	.	.	H	α-helix	trans	-55.7	-36.3	175.5	-76.4	-174.3	170.6	0	0	112.9	R334 E409 A417	R334-E413 IonicContact CZ-OE2 3.23Å; R334-E413 PolarHBondContact NH1-O 3.18Å; R334-E413 IonicContact NH2-OE2 2.94Å; R334-E413 PolarHBondContact NH2-OE2 3.02Å; E409-E413 WeakPolarHBondContact O-CG 3.22Å; E409-E413 PolarHBondContact O-N 3.18Å; E413-A417 WeakPolarHBondContact O-CB 3.46Å; E413-A417 PolarHBondContact O-N 2.81Å
414	R	96.4	Very high	95.4	Very high	54 Å²	54	38.2 Å²	38.2	20%	0.204	19%	0.194	C	C	.	.	H	α-helix	trans	-71.6	-43.4	177.3	-175.7	-177.4	-50.9	143.6	15.3	111.4	I357 E362 R410 I411 N412 E416 A417 I418	I357-R414 WeakPolarHBondContact O-CD 3.2Å; I357-R414 PolarHBondContact O-NH1 3.03Å; E362-R414 IonicContact OE1-CZ 3.93Å; E362-R414 IonicContact OE1-NH1 3.28Å; E362-R414 PolarHBondContact OE1-NH1 3.41Å; E362-R414 IonicContact OE1-NH2 3.67Å; E362-R414 PolarHBondContact OE1-NH2 2.87Å; E362-R414 IonicContact OE2-CZ 2.73Å; E362-R414 IonicContact OE2-NH1 2.81Å; E362-R414 PolarHBondContact OE2-NH1 3.19Å; E362-R414 IonicContact OE2-NH2 2.8Å; R410-R414 WeakPolarHBondContact O-CB 3.36Å; R410-R414 PolarHBondContact O-N 2.77Å; I411-R414 WeakPolarHBondContact O-CB 3.22Å; I411-R414 PolarHBondContact O-N 3.37Å; I411-R414 VanDerWaalsContact O-N 3.17Å; N412-R414 PolarHBondContact O-N 2.9Å; R414-E416 VanDerWaalsContact C-N 3.34Å; R414-A417 PolarHBondContact O-N 2.99Å; R414-I418 HydrophobicContact CG-CD1 3.76Å; R414-I418 WeakPolarHBondContact O-CD1 3.2Å; R414-I418 WeakPolarHBondContact O-CG1 3.33Å; R414-I418 PolarHBondContact O-N 3.37Å
415	I	97.2	Very high	95.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-60.9	-45.8	176.3	-63.2	167.4	0	0	0	109.8	I411 N412 I418 T419 M423 W467 F469 K529 I531	I411-I415 HydrophobicContact CG2-CD1 3.93Å; I411-I415 HydrophobicContact CG2-CG1 4.49Å; I411-I415 WeakPolarHBondContact O-CG1 3.28Å; I411-I415 PolarHBondContact O-N 2.94Å; N412-I415 PolarHBondContact O-N 3.45Å; N412-I415 VanDerWaalsContact O-N 3.09Å; I415-I418 PolarHBondContact O-N 3.29Å; I415-T419 HydrophobicContact CG2-CG2 4.09Å; I415-T419 WeakPolarHBondContact O-CB 3.35Å; I415-T419 WeakPolarHBondContact O-CG2 3.38Å; I415-T419 PolarHBondContact O-N 2.71Å; I415-T419 PolarHBondContact O-OG1 3.4Å; I415-M423 HydrophobicContact CB-CE 4.41Å; I415-M423 HydrophobicContact CB-SD 4.24Å; I415-M423 HydrophobicContact CG2-CE 3.68Å; I415-M423 HydrophobicContact CG2-SD 3.9Å; I415-W467 HydrophobicContact CD1-CG 4.18Å; I415-W467 HydrophobicContact CG1-CD2 4.07Å; I415-W467 HydrophobicContact CG1-CG 4.21Å; I415-W467 HydrophobicContact CG1-CZ2 4.38Å; I415-W467 HydrophobicContact CG2-CB 4.43Å; I415-W467 HydrophobicContact CG2-CD2 3.97Å; I415-W467 HydrophobicContact CG2-CE3 3.97Å; I415-W467 HydrophobicContact CG2-CG 4.17Å; I415-F469 HydrophobicContact CD1-CE2 3.85Å; I415-F469 HydrophobicContact CD1-CZ 4.03Å; I415-F469 HydrophobicContact CG1-CE2 4.42Å; I415-F469 HydrophobicContact CG1-CZ 4.09Å; I415-K529 HydrophobicContact CD1-CB 3.98Å; I415-K529 HydrophobicContact CD1-CG 3.89Å; I415-I531 HydrophobicContact CG2-CD1 4.3Å
416	E	96.3	Very high	95.5	Very high	50 Å²	50	36.2 Å²	36.2	23%	0.234	19%	0.188	C	C	.	.	H	α-helix	trans	-56.7	-52.5	175	175.9	155.9	-176.2	0	0	111.8	N412 R414 I418 T419 G420 L421 M423 R539	N412-E416 PolarHBondContact O-N 3.03Å; R414-E416 VanDerWaalsContact C-N 3.34Å; E416-I418 PolarHBondContact O-N 3.3Å; E416-T419 PolarHBondContact O-N 3.43Å; E416-G420 WeakPolarHBondContact O-CA 3.47Å; E416-G420 PolarHBondContact O-N 2.82Å; E416-L421 WeakPolarHBondContact CA-O 3.28Å; E416-L421 WeakPolarHBondContact CG-O 3.37Å; E416-M423 HydrophobicContact CB-CE 4.46Å; E416-M423 HydrophobicContact CB-CG 3.74Å; E416-R539 IonicContact OE1-CZ 2.68Å; E416-R539 IonicContact OE1-NH1 2.66Å; E416-R539 PolarHBondContact OE1-NH1 3.04Å; E416-R539 IonicContact OE1-NH2 3.15Å; E416-R539 PolarHBondContact OE1-NH2 3.05Å
417	A	95.9	Very high	95.4	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.008	17%	0.168	C	C	.	.	H	α-helix	trans	-58.9	-36	-178.2	0	0	0	0	0	112.5	N329 H332 F335 E413 R414	N329-A417 PolarHBondContact ND2-O 3.36Å; H332-A417 VanDerWaalsContact CE1-CB 3.49Å; H332-A417 WeakPolarHBondContact CE1-CB 3.45Å; F335-A417 HydrophobicContact CE2-CB 3.69Å; F335-A417 WeakPolarHBondContact CE2-O 2.88Å; F335-A417 HydrophobicContact CZ-CB 3.75Å; E413-A417 WeakPolarHBondContact O-CB 3.46Å; E413-A417 PolarHBondContact O-N 2.81Å; R414-A417 PolarHBondContact O-N 2.99Å
418	I	96.4	Very high	95.3	Very high	1 Å²	1	37 Å²	37	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-78.7	-47.2	-178.6	-64.3	161.9	0	0	0	111.3	F327 N329 F335 V340 Y354 I357 R414 I415 E416 W467	F327-I418 HydrophobicContact CE1-CG2 4.26Å; F327-I418 WeakPolarHBondContact CE1-O 3.42Å; N329-I418 PolarHBondContact ND2-O 2.91Å; F335-I418 HydrophobicContact CE1-CG1 4.48Å; F335-I418 HydrophobicContact CE2-CB 4.47Å; F335-I418 HydrophobicContact CE2-CG1 3.71Å; F335-I418 HydrophobicContact CZ-CD1 4.37Å; F335-I418 HydrophobicContact CZ-CG1 3.5Å; F335-I418 VanDerWaalsContact CZ-CG1 3.5Å; V340-I418 HydrophobicContact CG1-CD1 4.32Å; V340-I418 HydrophobicContact CG1-CG1 4.24Å; Y354-I418 HydrophobicContact CD1-CG2 4.02Å; Y354-I418 HydrophobicContact CD2-CG2 4.48Å; Y354-I418 HydrophobicContact CE1-CG2 3.44Å; Y354-I418 VanDerWaalsContact CE1-CG2 3.44Å; Y354-I418 HydrophobicContact CE2-CG2 3.98Å; Y354-I418 HydrophobicContact CG-CG2 4.49Å; Y354-I418 VanDerWaalsContact CZ-CG2 3.42Å; I357-I418 HydrophobicContact CD1-CD1 3.51Å; I357-I418 HydrophobicContact CG1-CD1 3.77Å; R414-I418 HydrophobicContact CG-CD1 3.76Å; R414-I418 WeakPolarHBondContact O-CD1 3.2Å; R414-I418 WeakPolarHBondContact O-CG1 3.33Å; R414-I418 PolarHBondContact O-N 3.37Å; I415-I418 PolarHBondContact O-N 3.29Å; E416-I418 PolarHBondContact O-N 3.3Å; I418-W467 HydrophobicContact CB-CH2 4.13Å; I418-W467 HydrophobicContact CB-CZ3 4.3Å; I418-W467 HydrophobicContact CD1-CH2 3.7Å; I418-W467 HydrophobicContact CD1-CZ2 4.22Å; I418-W467 HydrophobicContact CG2-CH2 3.8Å; I418-W467 HydrophobicContact CG2-CZ3 3.9Å
419	T	95.2	Very high	95.3	Very high	16 Å²	16	37.1 Å²	37.1	10%	0.098	18%	0.184	C	C	.	.	H	α-helix	trans	-80.2	-22.8	-174.3	59.2	0	0	0	0	112.7	I415 E416 L421 W467 F498 I531	I415-T419 HydrophobicContact CG2-CG2 4.09Å; I415-T419 WeakPolarHBondContact O-CB 3.35Å; I415-T419 WeakPolarHBondContact O-CG2 3.38Å; I415-T419 PolarHBondContact O-N 2.71Å; I415-T419 PolarHBondContact O-OG1 3.4Å; E416-T419 PolarHBondContact O-N 3.43Å; T419-L421 PolarHBondContact O-N 3.43Å; T419-L421 PolarHBondContact OG1-N 3.12Å; T419-W467 HydrophobicContact CG2-CE3 3.59Å; T419-W467 HydrophobicContact CG2-CZ3 3.59Å; T419-F498 HydrophobicContact CG2-CD2 4.03Å; T419-F498 HydrophobicContact CG2-CE2 3.68Å; T419-F498 HydrophobicContact CG2-CZ 4.1Å; T419-I531 HydrophobicContact CG2-CD1 4.48Å
420	G	94.4	Very high	95.2	Very high	25 Å²	25	33.7 Å²	33.7	26%	0.258	17%	0.168	S	C	.	.			trans	73.1	-2	-167.8	0	0	0	0	0	113.8	N329 E416 R539	N329-G420 PolarHBondContact ND2-N 3.18Å; E416-G420 WeakPolarHBondContact O-CA 3.47Å; E416-G420 PolarHBondContact O-N 2.82Å; G420-R539 WeakPolarHBondContact O-CD 3.26Å; G420-R539 PolarHBondContact O-NH1 3.45Å
421	L	95	Very high	95.2	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.021	15%	0.149	C	C	.	.			trans	-90.2	138.5	-177.5	-57.7	171.6	0	0	0	110.5	E416 T419 M423 I464 A465 F498 Y500 I531 Q536 R540	E416-L421 WeakPolarHBondContact CA-O 3.28Å; E416-L421 WeakPolarHBondContact CG-O 3.37Å; T419-L421 PolarHBondContact O-N 3.43Å; T419-L421 PolarHBondContact OG1-N 3.12Å; L421-M423 HydrophobicContact CB-CE 4.27Å; L421-M423 WeakPolarHBondContact O-CE 3.38Å; L421-I464 HydrophobicContact CD1-CD1 3.76Å; L421-I464 HydrophobicContact CD2-CD1 3.8Å; L421-I464 HydrophobicContact CG-CD1 4.33Å; L421-A465 HydrophobicContact CD1-CB 4.16Å; L421-F498 HydrophobicContact CD1-CZ 4.32Å; L421-Y500 HydrophobicContact CD1-CE1 4.02Å; L421-I531 HydrophobicContact CB-CD1 4.38Å; L421-I531 HydrophobicContact CB-CG2 3.97Å; L421-I531 HydrophobicContact CD1-CD1 3.81Å; L421-I531 HydrophobicContact CD1-CG2 4.13Å; L421-Q536 VanDerWaalsContact CA-OE1 3.25Å; L421-R540 HydrophobicContact CD2-CB 4.39Å
422	E	94.1	Very high	94.9	Very high	48 Å²	48	28.5 Å²	28.5	22%	0.224	15%	0.149	C	C	.	.			trans	-68.7	143.6	178.3	-174.9	163.7	-107.2	0	0	111.6	D424 G535 Q536 R539	E422-D424 HydrophobicContact CG-CB 4.13Å; E422-G535 WeakPolarHBondContact OE2-CA 3.15Å; E422-Q536 PolarHBondContact O-NE2 3.08Å; E422-R539 IonicContact OE1-NH2 3.62Å
423	M	94.7	Very high	94.6	Very high	15 Å²	15	28.2 Å²	28.2	7%	0.074	15%	0.147	C	C	.	.			trans	-101.5	-6.4	-176.5	-66.1	-68.9	125	0	0	114.4	I415 E416 L421 T425 A426 K529 I531	I415-M423 HydrophobicContact CB-CE 4.41Å; I415-M423 HydrophobicContact CB-SD 4.24Å; I415-M423 HydrophobicContact CG2-CE 3.68Å; I415-M423 HydrophobicContact CG2-SD 3.9Å; E416-M423 HydrophobicContact CB-CE 4.46Å; E416-M423 HydrophobicContact CB-CG 3.74Å; L421-M423 HydrophobicContact CB-CE 4.27Å; L421-M423 WeakPolarHBondContact O-CE 3.38Å; M423-T425 PolarHBondContact O-N 3.24Å; M423-A426 HydrophobicContact CB-CB 4.43Å; M423-A426 VanDerWaalsContact O-CB 3.29Å; M423-A426 WeakPolarHBondContact O-CB 2.83Å; M423-A426 PolarHBondContact O-N 3.05Å; M423-A426 HydrophobicContact SD-CB 3.97Å; M423-K529 HydrophobicContact SD-CG 4.49Å; M423-I531 HydrophobicContact CE-CD1 3.56Å; M423-I531 HydrophobicContact CE-CG1 3.73Å; M423-I531 HydrophobicContact CE-CG2 4.25Å; M423-I531 HydrophobicContact SD-CG1 4.26Å
424	D	92.1	Very high	94	Very high	137 Å²	137	25.1 Å²	25.1	73%	0.733	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-35.7	-174.9	-76.5	3.7	0	0	0	113.4	E422	E422-D424 HydrophobicContact CG-CB 4.13Å
425	T	91.9	Very high	92.9	Very high	30 Å²	30	22.6 Å²	22.6	18%	0.184	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-0.5	178	60.5	0	0	0	0	112.9	M423 T460 H532 R534	M423-T425 PolarHBondContact O-N 3.24Å; T425-T460 HydrophobicContact CG2-CG2 4.46Å; T425-H532 PolarHBondContact O-CD2 2.75Å; T425-R534 WeakPolarHBondContact CB-O 3.44Å; T425-R534 HydrophobicContact CG2-CB 4.18Å; T425-R534 HydrophobicContact CG2-CG 4.31Å; T425-R534 WeakPolarHBondContact CG2-O 3.33Å; T425-R534 PolarHBondContact OG1-O 2.93Å
426	A	94	Very high	91.7	Very high	16 Å²	16	25.6 Å²	25.6	13%	0.132	14%	0.141	C	C	.	.	S	Bend	trans	-74.2	146.2	-179.3	0	0	0	0	0	111	M423 W530 I531	M423-A426 HydrophobicContact CB-CB 4.43Å; M423-A426 VanDerWaalsContact O-CB 3.29Å; M423-A426 WeakPolarHBondContact O-CB 2.83Å; M423-A426 PolarHBondContact O-N 3.05Å; M423-A426 HydrophobicContact SD-CB 3.97Å; A426-W530 CarbonylContact C-O 3.44Å; A426-W530 WeakPolarHBondContact CA-O 3.48Å; A426-W530 WeakPolarHBondContact CB-O 2.96Å; A426-I531 HydrophobicContact CB-CG1 4.46Å
427	E	94.4	Very high	90.6	Very high	28 Å²	28	23.2 Å²	23.2	13%	0.131	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-66.4	164.5	-176.9	-60.1	-168.7	-169.5	0	0	112.5	W399 R463 K529 W530 H532	W399-E427 WeakPolarHBondContact CH2-OE2 2.99Å; W399-E427 HydrophobicContact CZ3-CB 4.35Å; E427-R463 IonicContact OE1-CZ 2.85Å; E427-R463 IonicContact OE1-NE 2.75Å; E427-R463 PolarHBondContact OE1-NE 2.84Å; E427-R463 IonicContact OE1-NH2 3.23Å; E427-R463 PolarHBondContact OE1-NH2 3.41Å; E427-R463 IonicContact OE2-CZ 2.9Å; E427-R463 IonicContact OE2-NE 3.39Å; E427-R463 IonicContact OE2-NH2 2.65Å; E427-R463 PolarHBondContact OE2-NH2 3.33Å; E427-K529 VanDerWaalsContact O-CD 3.3Å; E427-K529 WeakPolarHBondContact O-CD 3.4Å; E427-K529 VanDerWaalsContact O-CE 3.24Å; E427-K529 WeakPolarHBondContact O-CE 3.34Å; E427-K529 PolarHBondContact O-NZ 3.49Å; E427-W530 HydrophobicContact CB-CB 4.38Å; E427-W530 HydrophobicContact CG-CB 4.18Å; E427-W530 PolarHBondContact N-O 2.85Å; E427-H532 WeakPolarHBondContact CG-NE2 3.29Å; E427-H532 IonicContact OE1-CE1 3.76Å; E427-H532 IonicContact OE1-NE2 2.87Å; E427-H532 PolarHBondContact OE1-NE2 3.2Å; E427-H532 VanDerWaalsContact OE1-NE2 3.12Å
428	E	94.6	Very high	89.9	Confident	87 Å²	87	23.2 Å²	23.2	41%	0.407	13%	0.13	S	C	.	.	P	Polyproline II helix	trans	-55.1	153.8	170.7	-65.8	176.9	-172.2	0	0	111.6	W399 T401 Q430	W399-E428 HydrophobicContact CB-CB 4.27Å; W399-E428 VanDerWaalsContact CB-OE2 3.25Å; W399-E428 WeakPolarHBondContact CB-OE2 3.36Å; W399-E428 HydrophobicContact CE3-CB 3.87Å; T401-E428 HydrophobicContact CG2-CG 3.73Å; T401-E428 VanDerWaalsContact CG2-OE1 3.25Å; T401-E428 WeakPolarHBondContact CG2-OE1 3.43Å; E428-Q430 PolarHBondContact O-N 2.93Å
429	L	96.3	Very high	89.1	Confident	2 Å²	2	23.7 Å²	23.7	1%	0.01	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	104.7	179	-172.3	73.1	0	0	0	108.9	V366 L400 I408 V431 S527 K529	V366-L429 HydrophobicContact CG1-CD2 4.41Å; L400-L429 HydrophobicContact CB-CB 4.41Å; L400-L429 PolarHBondContact N-O 2.73Å; L400-L429 PolarHBondContact O-N 3.33Å; I408-L429 HydrophobicContact CD1-CD2 3.97Å; I408-L429 HydrophobicContact CG2-CB 4.27Å; I408-L429 HydrophobicContact CG2-CD2 4.4Å; L429-V431 PolarHBondContact O-N 2.8Å; L429-S527 WeakPolarHBondContact CD1-OG 2.86Å; L429-S527 WeakPolarHBondContact CG-OG 3.31Å; L429-K529 HydrophobicContact CD1-CB 4.22Å; L429-K529 HydrophobicContact CD1-CD 4.47Å
430	Q	95.3	Very high	88.4	Confident	4 Å²	4	24.9 Å²	24.9	2%	0.019	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	126.3	175.6	-176.1	-173.8	85.6	0	0	108.8	A398 W399 E428 S527 N528 W530	A398-Q430 CarbonylContact O-C 3.47Å; A398-Q430 WeakPolarHBondContact O-CA 3.34Å; W399-Q430 HydrophobicContact CD2-CB 4.13Å; W399-Q430 HydrophobicContact CD2-CG 4.27Å; W399-Q430 HydrophobicContact CE3-CB 3.69Å; W399-Q430 HydrophobicContact CE3-CG 4.31Å; W399-Q430 HydrophobicContact CH2-CB 4.29Å; W399-Q430 HydrophobicContact CZ2-CG 4.38Å; W399-Q430 VanDerWaalsContact CZ2-NE2 3.3Å; W399-Q430 HydrophobicContact CZ3-CB 3.8Å; W399-Q430 HydrophobicContact CZ3-CG 4.47Å; E428-Q430 PolarHBondContact O-N 2.93Å; Q430-S527 CarbonylContact O-C 3.53Å; Q430-S527 WeakPolarHBondContact O-CA 3.26Å; Q430-S527 WeakPolarHBondContact O-CB 2.96Å; Q430-S527 PolarHBondContact O-OG 3.16Å; Q430-N528 HydrophobicContact CB-CB 4.21Å; Q430-N528 PolarHBondContact N-O 3.27Å; Q430-N528 PolarHBondContact O-N 3.28Å; Q430-N528 PolarHBondContact OE1-ND2 3.1Å; Q430-W530 HydrophobicContact CB-CZ3 4.11Å; Q430-W530 HydrophobicContact CG-CZ3 4.5Å; Q430-W530 VanDerWaalsContact NE2-CH2 3.32Å
431	V	94.9	Very high	88	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	125.2	172.5	177.9	0	0	0	0	108.7	V366 A370 S397 A398 L400 L429 M471 W525	V366-V431 HydrophobicContact CG1-CG2 3.5Å; A370-V431 HydrophobicContact CB-CB 3.73Å; A370-V431 HydrophobicContact CB-CG1 3.5Å; A370-V431 HydrophobicContact CB-CG2 4.09Å; S397-V431 CarbonylContact C-O 3.52Å; S397-V431 WeakPolarHBondContact CA-O 3.13Å; A398-V431 PolarHBondContact N-O 3.5Å; A398-V431 PolarHBondContact O-N 2.82Å; L400-V431 HydrophobicContact CD1-CG2 3.75Å; L400-V431 HydrophobicContact CG-CG2 4.21Å; L429-V431 PolarHBondContact O-N 2.8Å; V431-M471 HydrophobicContact CG1-CE 3.77Å; V431-W525 HydrophobicContact CG1-CE3 3.87Å; V431-W525 HydrophobicContact CG1-CZ3 3.89Å
432	A	91.7	Very high	87.7	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	137.5	178.7	0	0	0	0	0	111.7	K396 Y434 W525 V526	K396-A432 CarbonylContact O-C 3.37Å; K396-A432 WeakPolarHBondContact O-CA 3.11Å; A432-Y434 HydrophobicContact CB-CE2 4.18Å; A432-W525 WeakPolarHBondContact O-CA 3.4Å; A432-V526 HydrophobicContact CB-CG2 3.94Å; A432-V526 PolarHBondContact N-O 2.69Å; A432-V526 PolarHBondContact O-N 3.26Å
433	N	90.3	Very high	87.6	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	128.6	168.6	-175	-123.9	0	0	0	110.4	S31 I32 L374 S395 K396 N523 K524 W525	S31-N433 VanDerWaalsContact CA-OD1 3.3Å; S31-N433 WeakPolarHBondContact CA-OD1 3.37Å; S31-N433 PolarHBondContact OG-OD1 2.85Å; I32-N433 PolarHBondContact N-OD1 3.03Å; I32-N433 VanDerWaalsContact N-OD1 3.17Å; L374-N433 HydrophobicContact CD1-CB 4.05Å; L374-N433 HydrophobicContact CD2-CB 4.5Å; S395-N433 WeakPolarHBondContact CA-O 3.42Å; K396-N433 PolarHBondContact N-O 2.85Å; K396-N433 PolarHBondContact O-N 2.78Å; N433-N523 PolarHBondContact ND2-OD1 3.16Å; N433-K524 PolarHBondContact ND2-O 2.8Å; N433-W525 HydrophobicContact CB-CD2 4.02Å; N433-W525 HydrophobicContact CB-CE3 3.96Å; N433-W525 HydrophobicContact CB-CH2 3.94Å; N433-W525 HydrophobicContact CB-CZ2 3.94Å; N433-W525 HydrophobicContact CB-CZ3 3.93Å; N433-W525 PolarHBondContact ND2-NE1 2.68Å
434	Y	83.7	Confident	87.5	Confident	10 Å²	10	29.2 Å²	29.2	4%	0.039	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	121.4	175.7	-60.3	-94.9	0	0	0	109.5	A432 A516 K524 V526	A432-Y434 HydrophobicContact CB-CE2 4.18Å; Y434-A516 HydrophobicContact CE1-CB 4.21Å; Y434-K524 HydrophobicContact CD2-CB 4.09Å; Y434-K524 HydrophobicContact CD2-CD 3.83Å; Y434-K524 HydrophobicContact CD2-CG 3.83Å; Y434-K524 HydrophobicContact CE2-CD 4.16Å; Y434-K524 HydrophobicContact CE2-CG 4.4Å; Y434-K524 HydrophobicContact CG-CD 4.41Å; Y434-K524 PolarHBondContact N-O 3.06Å; Y434-V526 HydrophobicContact CE2-CG2 3.7Å
435	G	72.8	Confident	87.5	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.116	C	C	.	.			trans	-71.8	-167	169.7	0	0	0	0	0	113.7	F29 T30 G437 G438	F29-G435 WeakPolarHBondContact O-CA 3.35Å; T30-G435 PolarHBondContact O-N 3.14Å; G435-G437 PolarHBondContact O-N 2.85Å; G435-G438 PolarHBondContact O-N 2.77Å
436	V	72.3	Confident	87.4	Confident	64 Å²	64	21.9 Å²	21.9	39%	0.388	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	127.2	176	172.5	0	0	0	0	109.4	F29 M35 A140 L144 G438	F29-V436 PolarHBondContact O-N 3.47Å; M35-V436 HydrophobicContact CE-CG2 4.08Å; A140-V436 WeakPolarHBondContact CB-O 3.48Å; L144-V436 HydrophobicContact CD1-CG1 4.27Å; V436-G438 PolarHBondContact O-N 3.44Å
437	G	73.1	Confident	87.1	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	10.8	-175.7	0	0	0	0	0	114.5	R143 G435 Q439 V519	R143-G437 PolarHBondContact NE-O 3.42Å; R143-G437 PolarHBondContact NH2-O 3.02Å; G435-G437 PolarHBondContact O-N 2.85Å; G437-Q439 PolarHBondContact O-N 3.31Å; G437-V519 PolarHBondContact N-O 2.8Å
438	G	80.3	Confident	86.6	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.116	C	C	.	.			trans	-60.5	130	-179.9	0	0	0	0	0	111.2	I394 G435 V436 P518 V519	I394-G438 CarbonylContact O-C 3.58Å; I394-G438 WeakPolarHBondContact O-CA 3.46Å; G435-G438 PolarHBondContact O-N 2.77Å; V436-G438 PolarHBondContact O-N 3.44Å; G438-P518 WeakPolarHBondContact O-CA 3.25Å; G438-V519 PolarHBondContact O-N 3.22Å
439	Q	80.7	Confident	85.8	Confident	12 Å²	12	26.8 Å²	26.8	6%	0.056	13%	0.127	C	C	.	.			trans	-139.7	169.8	-176.3	76.3	171.5	6.9	0	0	111.5	Y303 I394 G437 A516 P518	Y303-Q439 PolarHBondContact OH-OE1 3.35Å; I394-Q439 PolarHBondContact N-O 2.92Å; I394-Q439 PolarHBondContact O-N 3.04Å; G437-Q439 PolarHBondContact O-N 3.31Å; Q439-A516 WeakPolarHBondContact CA-O 3.26Å; Q439-A516 WeakPolarHBondContact CB-O 3.39Å; Q439-P518 HydrophobicContact CB-CB 4.34Å; Q439-P518 HydrophobicContact CB-CG 4.01Å
440	Y	80.8	Confident	84.8	Confident	41 Å²	41	31.6 Å²	31.6	16%	0.161	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	119.8	163	-165.6	-169.3	0	0	0	109.2	Y392 R393 H443 A515 A516	Y392-Y440 HydrophobicContact CD2-CE2 4.25Å; Y392-Y440 HydrophobicContact CE2-CE2 4.24Å; R393-Y440 HydrophobicContact CB-CD2 3.82Å; R393-Y440 HydrophobicContact CB-CE2 4.02Å; R393-Y440 HydrophobicContact CG-CD2 3.74Å; R393-Y440 HydrophobicContact CG-CE2 4.02Å; R393-Y440 HydrophobicContact CG-CG 4.18Å; Y440-H443 AromaticContact CD1-CE1 3.13Å; Y440-H443 WeakPolarHBondContact CD1-CE1 3.45Å; Y440-H443 AromaticContact CD1-ND1 3.68Å; Y440-H443 AromaticContact CD1-NE2 3.61Å; Y440-H443 AromaticContact CE1-CD2 3.67Å; Y440-H443 AromaticContact CE1-CE1 3.11Å; Y440-H443 WeakPolarHBondContact CE1-CE1 3.13Å; Y440-H443 AromaticContact CE1-CG 3.93Å; Y440-H443 AromaticContact CE1-ND1 3.58Å; Y440-H443 AromaticContact CE1-NE2 3.12Å; Y440-H443 WeakPolarHBondContact CE1-NE2 3.37Å; Y440-H443 AromaticContact CE2-ND1 3.96Å; Y440-H443 AromaticContact CG-CE1 3.79Å; Y440-H443 AromaticContact CG-ND1 3.94Å; Y440-H443 AromaticContact CZ-CD2 3.78Å; Y440-H443 AromaticContact CZ-CE1 3.73Å; Y440-H443 AromaticContact CZ-CG 3.77Å; Y440-H443 AromaticContact CZ-ND1 3.7Å; Y440-H443 AromaticContact CZ-NE2 3.73Å; Y440-A515 WeakPolarHBondContact O-CA 3.31Å; Y440-A515 WeakPolarHBondContact O-CB 3.48Å; Y440-A516 PolarHBondContact N-O 3.46Å; Y440-A516 PolarHBondContact O-N 2.9Å
441	E	84.3	Confident	83.8	Confident	88 Å²	88	35 Å²	35	41%	0.411	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	160.4	-178.5	-77.2	-175.9	-172.3	0	0	113.6	Y392 H443	Y392-E441 VanDerWaalsContact CB-CD 3.41Å; Y392-E441 VanDerWaalsContact CB-OE2 3.23Å; Y392-E441 WeakPolarHBondContact CB-OE2 3.04Å; Y392-E441 WeakPolarHBondContact O-CG 3.23Å; Y392-E441 PolarHBondContact O-N 2.87Å; E441-H443 PolarHBondContact O-N 2.59Å; E441-H443 PolarHBondContact O-ND1 3.5Å
442	P	89.7	Confident	82.3	Confident	26 Å²	26	40 Å²	40	17%	0.169	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	116.6	179.6	-26.5	34.7	0	0	0	114.2	E299 Y303 P483 R513 H514 A515	E299-P442 WeakPolarHBondContact OE1-CB 3.46Å; Y303-P442 HydrophobicContact CD2-CG 4.26Å; Y303-P442 HydrophobicContact CG-CG 4.4Å; P442-P483 HydrophobicContact CB-CG 4.38Å; P442-P483 HydrophobicContact CG-CG 4.22Å; P442-R513 HydrophobicContact CB-CG 4.48Å; P442-R513 PolarHBondContact O-NH2 3.41Å; P442-H514 CarbonylContact C-O 3.55Å; P442-H514 VanDerWaalsContact CA-O 3.31Å; P442-H514 WeakPolarHBondContact CA-O 3.16Å; P442-A515 HydrophobicContact CB-CB 4.32Å; P442-A515 HydrophobicContact CG-CB 3.92Å
443	H	91.3	Very high	81.2	Confident	28 Å²	28	44.6 Å²	44.6	13%	0.13	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	173.2	-176.9	63.6	-73.3	0	0	0	111.8	Y440 E441 D445 R513 H514	Y440-H443 AromaticContact CD1-CE1 3.13Å; Y440-H443 WeakPolarHBondContact CD1-CE1 3.45Å; Y440-H443 AromaticContact CD1-ND1 3.68Å; Y440-H443 AromaticContact CD1-NE2 3.61Å; Y440-H443 AromaticContact CE1-CD2 3.67Å; Y440-H443 AromaticContact CE1-CE1 3.11Å; Y440-H443 WeakPolarHBondContact CE1-CE1 3.13Å; Y440-H443 AromaticContact CE1-CG 3.93Å; Y440-H443 AromaticContact CE1-ND1 3.58Å; Y440-H443 AromaticContact CE1-NE2 3.12Å; Y440-H443 WeakPolarHBondContact CE1-NE2 3.37Å; Y440-H443 AromaticContact CE2-ND1 3.96Å; Y440-H443 AromaticContact CG-CE1 3.79Å; Y440-H443 AromaticContact CG-ND1 3.94Å; Y440-H443 AromaticContact CZ-CD2 3.78Å; Y440-H443 AromaticContact CZ-CE1 3.73Å; Y440-H443 AromaticContact CZ-CG 3.77Å; Y440-H443 AromaticContact CZ-ND1 3.7Å; Y440-H443 AromaticContact CZ-NE2 3.73Å; E441-H443 PolarHBondContact O-N 2.59Å; E441-H443 PolarHBondContact O-ND1 3.5Å; H443-D445 IonicContact CD2-OD1 2.69Å; H443-D445 IonicContact NE2-OD1 3.36Å; H443-R513 WeakPolarHBondContact O-CA 3.18Å; H443-H514 AromaticContact CE1-CD2 3.87Å; H443-H514 AromaticContact CE1-NE2 3.64Å; H443-H514 PolarHBondContact N-O 2.84Å; H443-H514 PolarHBondContact ND1-O 3.41Å; H443-H514 AromaticContact NE2-CE1 3.78Å; H443-H514 AromaticContact NE2-NE2 3.32Å; H443-H514 PolarHBondContact NE2-NE2 3.05Å; H443-H514 PolarHBondContact O-N 3.34Å
444	F	92.6	Very high	80.1	Confident	41 Å²	41	47 Å²	47	18%	0.18	25%	0.245	C	C	.	.			trans	-109.4	146.2	168.3	-63.4	-73.7	0	0	0	109.1	F446 R448 Y510 R513	F444-F446 HydrophobicContact CB-CD1 4.04Å; F444-F446 HydrophobicContact CB-CE1 3.95Å; F444-F446 HydrophobicContact CB-CZ 4.31Å; F444-F446 HydrophobicContact CD1-CD1 4.25Å; F444-F446 AromaticContact CD1-CE1 3.4Å; F444-F446 HydrophobicContact CD1-CE1 3.4Å; F444-F446 AromaticContact CD1-CZ 3.72Å; F444-F446 HydrophobicContact CD1-CZ 3.72Å; F444-F446 HydrophobicContact CE1-CE1 4.15Å; F444-F446 HydrophobicContact CE1-CZ 4.21Å; F444-F446 HydrophobicContact CG-CD1 4.49Å; F444-F446 AromaticContact CG-CE1 3.9Å; F444-F446 HydrophobicContact CG-CE1 3.9Å; F444-F446 HydrophobicContact CG-CZ 4.02Å; F444-R448 HydrophobicContact CD2-CG 4.41Å; F444-Y510 HydrophobicContact CE1-CD1 4.11Å; F444-Y510 WeakPolarHBondContact CE1-O 3.46Å; F444-Y510 HydrophobicContact CE2-CD1 4.22Å; F444-Y510 AromaticContact CZ-CD1 3.63Å; F444-Y510 HydrophobicContact CZ-CD1 3.63Å; F444-Y510 HydrophobicContact CZ-CE1 4.36Å; F444-Y510 HydrophobicContact CZ-CG 4.46Å; F444-R513 HydrophobicContact CD1-CB 4.07Å; F444-R513 HydrophobicContact CD1-CG 4.25Å; F444-R513 HydrophobicContact CD2-CG 4.5Å; F444-R513 HydrophobicContact CE1-CB 3.37Å; F444-R513 HydrophobicContact CE1-CG 3.75Å; F444-R513 HydrophobicContact CE2-CG 4.03Å; F444-R513 HydrophobicContact CZ-CB 3.63Å; F444-R513 HydrophobicContact CZ-CG 3.62Å
445	D	92.4	Very high	79.7	Confident	3 Å²	3	48 Å²	48	2%	0.016	25%	0.249	C	C	.	.	S	Bend	trans	-87.2	-11.3	172	-84.9	-20.5	0	0	0	112.6	H443 R463 T466 N501 H514 W530	H443-D445 IonicContact CD2-OD1 2.69Å; H443-D445 IonicContact NE2-OD1 3.36Å; D445-R463 WeakPolarHBondContact O-CD 3.33Å; D445-R463 PolarHBondContact O-NH1 2.87Å; D445-T466 WeakPolarHBondContact OD2-CB 3.33Å; D445-T466 VanDerWaalsContact OD2-CG2 3.28Å; D445-T466 WeakPolarHBondContact OD2-CG2 3.11Å; D445-T466 PolarHBondContact OD2-OG1 3.06Å; D445-N501 WeakPolarHBondContact CB-ND2 3.32Å; D445-H514 IonicContact OD1-CE1 3.88Å; D445-H514 IonicContact OD2-CE1 3.85Å; D445-H514 PolarHBondContact OD2-CE1 3.31Å; D445-H514 IonicContact OD2-NE2 3.03Å; D445-W530 PolarHBondContact OD1-NE1 2.88Å; D445-W530 PolarHBondContact OD2-NE1 3.2Å
446	F	91.2	Very high	79.6	Confident	9 Å²	9	55 Å²	55	4%	0.039	28%	0.28	C	S	.	.	S	Bend	trans	-102.7	156.2	176.6	67.4	-91.9	0	0	0	111.8	F444 R448 N462 N501 L502 G508	F444-F446 HydrophobicContact CB-CD1 4.04Å; F444-F446 HydrophobicContact CB-CE1 3.95Å; F444-F446 HydrophobicContact CB-CZ 4.31Å; F444-F446 HydrophobicContact CD1-CD1 4.25Å; F444-F446 AromaticContact CD1-CE1 3.4Å; F444-F446 HydrophobicContact CD1-CE1 3.4Å; F444-F446 AromaticContact CD1-CZ 3.72Å; F444-F446 HydrophobicContact CD1-CZ 3.72Å; F444-F446 HydrophobicContact CE1-CE1 4.15Å; F444-F446 HydrophobicContact CE1-CZ 4.21Å; F444-F446 HydrophobicContact CG-CD1 4.49Å; F444-F446 AromaticContact CG-CE1 3.9Å; F444-F446 HydrophobicContact CG-CE1 3.9Å; F444-F446 HydrophobicContact CG-CZ 4.02Å; F446-R448 HydrophobicContact CE2-CG 4.04Å; F446-N462 WeakPolarHBondContact CA-OD1 2.75Å; F446-N462 WeakPolarHBondContact CB-OD1 3.46Å; F446-N501 HydrophobicContact CB-CB 4.18Å; F446-N501 HydrophobicContact CD1-CB 4.01Å; F446-N501 WeakPolarHBondContact CD1-O 3.49Å; F446-L502 HydrophobicContact CB-CD2 3.57Å; F446-L502 HydrophobicContact CB-CG 4.45Å; F446-L502 HydrophobicContact CD1-CD2 4.29Å; F446-L502 HydrophobicContact CD2-CD2 3.97Å; F446-L502 HydrophobicContact CG-CD2 3.69Å; F446-G508 VanDerWaalsContact CE2-CA 3.47Å
447	G	86.1	Confident	79.5	Confident	11 Å²	11	61.6 Å²	61.6	11%	0.113	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-79	129	176.8	0	0	0	0	0	110	N462	G447-N462 PolarHBondContact N-ND2 3.09Å; G447-N462 PolarHBondContact N-OD1 3.39Å; G447-N462 PolarHBondContact O-ND2 2.95Å
448	R	84.9	Confident	79.6	Confident	80 Å²	80	66.5 Å²	66.5	30%	0.302	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-85.4	165.7	-174.8	-59.8	-179.9	-71.3	134.6	1.2	111.4	F444 F446 D450 E451	F444-R448 HydrophobicContact CD2-CG 4.41Å; F446-R448 HydrophobicContact CE2-CG 4.04Å; R448-D450 WeakPolarHBondContact CB-OD1 3.33Å; R448-D450 IonicContact CZ-OD1 2.63Å; R448-D450 IonicContact CZ-OD2 3.39Å; R448-D450 VanDerWaalsContact CZ-OD2 3.23Å; R448-D450 IonicContact NE-OD1 3.56Å; R448-D450 IonicContact NH1-OD1 3.27Å; R448-D450 PolarHBondContact NH1-OD1 3.36Å; R448-D450 IonicContact NH1-OD2 2.92Å; R448-D450 PolarHBondContact NH1-OD2 3.17Å; R448-D450 IonicContact NH2-OD2 3.47Å; R448-D450 PolarHBondContact NH2-OD2 2.75Å; R448-D450 PolarHBondContact O-N 3.4Å; R448-E451 IonicContact CZ-OE1 3.12Å; R448-E451 PolarHBondContact N-OE2 3.06Å; R448-E451 IonicContact NE-OE1 2.91Å; R448-E451 PolarHBondContact NE-OE1 2.87Å; R448-E451 IonicContact NE-OE2 3.37Å; R448-E451 IonicContact NH2-OE1 3.64Å; R448-E451 PolarHBondContact NH2-OE1 3.34Å; R448-E451 CarbonylContact O-C 3.59Å; R448-E451 WeakPolarHBondContact O-CA 3.42Å; R448-E451 PolarHBondContact O-N 2.9Å
449	K	77.1	Confident	79.6	Confident	144 Å²	144	68.2 Å²	68.2	63%	0.626	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-27.9	179.1	-68.6	-173.5	176.4	177.9	0	113.1	E451 E507	K449-E451 PolarHBondContact O-N 2.62Å; K449-E507 VanDerWaalsContact CE-OE1 3.25Å; K449-E507 WeakPolarHBondContact CE-OE1 3.4Å; K449-E507 WeakPolarHBondContact CE-OE2 3.37Å; K449-E507 IonicContact NZ-OE1 2.83Å; K449-E507 PolarHBondContact NZ-OE1 2.89Å; K449-E507 IonicContact NZ-OE2 3.52Å; K449-E507 PolarHBondContact NZ-OE2 2.8Å
450	D	75.4	Confident	79.8	Confident	103 Å²	103	68.7 Å²	68.7	55%	0.551	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-1.9	172.8	52.9	-44.6	0	0	0	113.7	R448 P452	R448-D450 WeakPolarHBondContact CB-OD1 3.33Å; R448-D450 IonicContact CZ-OD1 2.63Å; R448-D450 IonicContact CZ-OD2 3.39Å; R448-D450 VanDerWaalsContact CZ-OD2 3.23Å; R448-D450 IonicContact NE-OD1 3.56Å; R448-D450 IonicContact NH1-OD1 3.27Å; R448-D450 PolarHBondContact NH1-OD1 3.36Å; R448-D450 IonicContact NH1-OD2 2.92Å; R448-D450 PolarHBondContact NH1-OD2 3.17Å; R448-D450 IonicContact NH2-OD2 3.47Å; R448-D450 PolarHBondContact NH2-OD2 2.75Å; R448-D450 PolarHBondContact O-N 3.4Å; D450-P452 VanDerWaalsContact C-CD 3.4Å; D450-P452 WeakPolarHBondContact O-CD 3.32Å
451	E	73.5	Confident	80.1	Confident	75 Å²	75	68 Å²	68	35%	0.35	36%	0.36	S	S	.	.			trans	-125.2	58.6	-179.2	-61.1	166.1	168.4	0	0	111	R448 K449 D453 A454	R448-E451 IonicContact CZ-OE1 3.12Å; R448-E451 PolarHBondContact N-OE2 3.06Å; R448-E451 IonicContact NE-OE1 2.91Å; R448-E451 PolarHBondContact NE-OE1 2.87Å; R448-E451 IonicContact NE-OE2 3.37Å; R448-E451 IonicContact NH2-OE1 3.64Å; R448-E451 PolarHBondContact NH2-OE1 3.34Å; R448-E451 CarbonylContact O-C 3.59Å; R448-E451 WeakPolarHBondContact O-CA 3.42Å; R448-E451 PolarHBondContact O-N 2.9Å; K449-E451 PolarHBondContact O-N 2.62Å; E451-D453 PolarHBondContact O-N 3Å; E451-A454 HydrophobicContact CB-CB 4.26Å; E451-A454 WeakPolarHBondContact O-CB 3.41Å; E451-A454 PolarHBondContact O-N 3.21Å; E451-A454 VanDerWaalsContact O-N 3.12Å
452	P	63.4	Low	80.4	Confident	106 Å²	106	65.4 Å²	65.4	69%	0.688	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-19.2	-169.6	26.7	-36.2	0	0	0	114.4	D450	D450-P452 VanDerWaalsContact C-CD 3.4Å; D450-P452 WeakPolarHBondContact O-CD 3.32Å
453	D	69.7	Low	80.6	Confident	96 Å²	96	66 Å²	66	51%	0.513	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	0.7	-178.4	-63.2	-51.7	0	0	0	113.7	E451 F455 K456	E451-D453 PolarHBondContact O-N 3Å; D453-F455 PolarHBondContact O-N 3.11Å; D453-K456 HydrophobicContact CB-CD 4.45Å; D453-K456 PolarHBondContact O-N 3.21Å; D453-K456 VanDerWaalsContact O-N 3.11Å; D453-K456 WeakPolarHBondContact OD1-CD 3.32Å; D453-K456 IonicContact OD1-NZ 3Å; D453-K456 PolarHBondContact OD1-NZ 3Å
454	A	66.9	Low	80.8	Confident	50 Å²	50	64.8 Å²	64.8	41%	0.413	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-31.9	-168.9	0	0	0	0	0	115.7	E451	E451-A454 HydrophobicContact CB-CB 4.26Å; E451-A454 WeakPolarHBondContact O-CB 3.41Å; E451-A454 PolarHBondContact O-N 3.21Å; E451-A454 VanDerWaalsContact O-N 3.12Å
455	F	75.2	Confident	81	Confident	30 Å²	30	62.8 Å²	62.8	13%	0.132	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.1	14.8	178.4	-55.5	-76.2	0	0	0	113.3	D453 E457 L458 G459 G461 N462 R463 H532	D453-F455 PolarHBondContact O-N 3.11Å; F455-E457 VanDerWaalsContact C-N 3.35Å; F455-E457 PolarHBondContact O-N 2.76Å; F455-L458 HydrophobicContact CD1-CD1 3.95Å; F455-L458 PolarHBondContact O-N 3.39Å; F455-G459 PolarHBondContact O-N 2.84Å; F455-G461 WeakPolarHBondContact CB-O 3.33Å; F455-N462 HydrophobicContact CD2-CB 4.32Å; F455-N462 HydrophobicContact CE2-CB 4.48Å; F455-N462 WeakPolarHBondContact CE2-OD1 3.38Å; F455-R463 HydrophobicContact CE1-CG 3.87Å; F455-R463 HydrophobicContact CZ-CG 3.88Å; F455-H532 AromaticContact CD1-CE1 3.62Å; F455-H532 AromaticContact CE1-CE1 3.89Å
456	K	71.8	Confident	81.3	Confident	149 Å²	149	62.7 Å²	62.7	65%	0.648	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-35.6	-172.8	-171.8	175.2	175.9	177.8	0	112.4	D453	D453-K456 HydrophobicContact CB-CD 4.45Å; D453-K456 PolarHBondContact O-N 3.21Å; D453-K456 VanDerWaalsContact O-N 3.11Å; D453-K456 WeakPolarHBondContact OD1-CD 3.32Å; D453-K456 IonicContact OD1-NZ 3Å; D453-K456 PolarHBondContact OD1-NZ 3Å
457	E	69.9	Low	81.6	Confident	201 Å²	201	62.2 Å²	62.2	94%	0.939	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-34.5	176.2	-64.1	-170.8	163.5	0	0	112.7	F455	F455-E457 VanDerWaalsContact C-N 3.35Å; F455-E457 PolarHBondContact O-N 2.76Å
458	L	74.8	Confident	82.2	Confident	103 Å²	103	62.1 Å²	62.1	54%	0.539	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-33.1	177.4	-72.9	157.9	0	0	0	111.7	F455 T460	F455-L458 HydrophobicContact CD1-CD1 3.95Å; F455-L458 PolarHBondContact O-N 3.39Å; L458-T460 HydrophobicContact CB-CG2 4.49Å; L458-T460 PolarHBondContact O-N 2.89Å; L458-T460 VanDerWaalsContact O-N 3.15Å
459	G	80.7	Confident	82.8	Confident	36 Å²	36	58.4 Å²	58.4	37%	0.371	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	17.3	-179.3	0	0	0	0	0	113.8	F455 R534	F455-G459 PolarHBondContact O-N 2.84Å; G459-R534 VanDerWaalsContact O-CD 3.31Å; G459-R534 WeakPolarHBondContact O-CD 3.06Å; G459-R534 PolarHBondContact O-NH1 2.99Å
460	T	83.6	Confident	83.8	Confident	23 Å²	23	51.6 Å²	51.6	14%	0.141	28%	0.283	C	S	.	.	S	Bend	trans	-96.9	-4.8	-178.6	50.8	0	0	0	0	113	T425 L458 H532 R534	T425-T460 HydrophobicContact CG2-CG2 4.46Å; L458-T460 HydrophobicContact CB-CG2 4.49Å; L458-T460 PolarHBondContact O-N 2.89Å; L458-T460 VanDerWaalsContact O-N 3.15Å; T460-H532 WeakPolarHBondContact O-CB 3.47Å; T460-H532 PolarHBondContact OG1-CE1 3.48Å; T460-H532 PolarHBondContact OG1-ND1 3.04Å; T460-H532 VanDerWaalsContact OG1-ND1 3.16Å; T460-R534 WeakPolarHBondContact O-CB 3.15Å; T460-R534 PolarHBondContact O-N 2.67Å
461	G	87.1	Confident	84.8	Confident	27 Å²	27	46.7 Å²	46.7	28%	0.278	26%	0.257	S	S	.	.			trans	80.1	-175.3	-174.5	0	0	0	0	0	112.1	F455 H532	F455-G461 WeakPolarHBondContact CB-O 3.33Å; G461-H532 PolarHBondContact O-ND1 2.84Å
462	N	91	Very high	85.8	Confident	32 Å²	32	43.8 Å²	43.8	17%	0.171	25%	0.245	C	C	.	.	S	Bend	trans	-77.2	161	-175.1	-156	-17.6	0	0	0	111.2	F446 G447 F455 I464 L502 H532 E533	F446-N462 WeakPolarHBondContact CA-OD1 2.75Å; F446-N462 WeakPolarHBondContact CB-OD1 3.46Å; G447-N462 PolarHBondContact N-ND2 3.09Å; G447-N462 PolarHBondContact N-OD1 3.39Å; G447-N462 PolarHBondContact O-ND2 2.95Å; F455-N462 HydrophobicContact CD2-CB 4.32Å; F455-N462 HydrophobicContact CE2-CB 4.48Å; F455-N462 WeakPolarHBondContact CE2-OD1 3.38Å; N462-I464 PolarHBondContact O-N 2.89Å; N462-L502 HydrophobicContact CB-CD1 3.84Å; N462-H532 WeakPolarHBondContact O-CA 3.32Å; N462-E533 PolarHBondContact O-N 2.83Å
463	R	94.2	Very high	87.1	Confident	39 Å²	39	43.5 Å²	43.5	15%	0.147	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	106.6	178.9	-70.9	165.6	169.3	-178.5	1.3	109.7	E427 D445 F455 N501 W530 I531	E427-R463 IonicContact OE1-CZ 2.85Å; E427-R463 IonicContact OE1-NE 2.75Å; E427-R463 PolarHBondContact OE1-NE 2.84Å; E427-R463 IonicContact OE1-NH2 3.23Å; E427-R463 PolarHBondContact OE1-NH2 3.41Å; E427-R463 IonicContact OE2-CZ 2.9Å; E427-R463 IonicContact OE2-NE 3.39Å; E427-R463 IonicContact OE2-NH2 2.65Å; E427-R463 PolarHBondContact OE2-NH2 3.33Å; D445-R463 WeakPolarHBondContact O-CD 3.33Å; D445-R463 PolarHBondContact O-NH1 2.87Å; F455-R463 HydrophobicContact CE1-CG 3.87Å; F455-R463 HydrophobicContact CZ-CG 3.88Å; R463-N501 VanDerWaalsContact O-CB 3.29Å; R463-N501 WeakPolarHBondContact O-CB 3.38Å; R463-W530 HydrophobicContact CG-CB 4.02Å; R463-W530 HydrophobicContact CG-CG 4.48Å; R463-I531 CarbonylContact C-O 3.57Å; R463-I531 WeakPolarHBondContact CA-O 3.39Å
464	I	95.5	Very high	88.1	Confident	2 Å²	2	40 Å²	40	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	-29	-177	56.3	157.9	0	0	0	113.3	L421 N462 Y500 N501 L502 I531 E533 Q536	L421-I464 HydrophobicContact CD1-CD1 3.76Å; L421-I464 HydrophobicContact CD2-CD1 3.8Å; L421-I464 HydrophobicContact CG-CD1 4.33Å; N462-I464 PolarHBondContact O-N 2.89Å; I464-Y500 CarbonylContact O-C 3.59Å; I464-Y500 WeakPolarHBondContact O-CA 3.29Å; I464-N501 PolarHBondContact O-N 2.81Å; I464-L502 HydrophobicContact CG2-CD1 3.91Å; I464-L502 PolarHBondContact O-N 2.71Å; I464-I531 HydrophobicContact CD1-CG2 4.15Å; I464-I531 HydrophobicContact CG1-CB 4.29Å; I464-I531 HydrophobicContact CG1-CG2 4.14Å; I464-I531 VanDerWaalsContact CG1-O 3.25Å; I464-I531 WeakPolarHBondContact CG1-O 3.19Å; I464-I531 PolarHBondContact N-O 2.85Å; I464-E533 HydrophobicContact CG2-CB 3.69Å; I464-E533 HydrophobicContact CG2-CG 4.14Å; I464-Q536 HydrophobicContact CD1-CB 4.4Å; I464-Q536 HydrophobicContact CD1-CG 3.78Å
465	A	97.1	Very high	89.2	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	154.6	-173.4	0	0	0	0	0	112.1	L421 F498 W499 Y500 N501 I531	L421-A465 HydrophobicContact CD1-CB 4.16Å; A465-F498 HydrophobicContact CB-CE2 3.59Å; A465-F498 HydrophobicContact CB-CZ 3.86Å; A465-W499 WeakPolarHBondContact CA-O 3.45Å; A465-Y500 HydrophobicContact CB-CD1 3.88Å; A465-Y500 HydrophobicContact CB-CE1 4.21Å; A465-N501 VanDerWaalsContact C-ND2 3.35Å; A465-I531 HydrophobicContact CB-CD1 4.36Å; A465-I531 PolarHBondContact O-N 3.4Å; A465-I531 VanDerWaalsContact O-N 3.09Å
466	T	98.1	Very high	89.9	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	134.5	176	-60.8	0	0	0	0	109.9	D445 F498 W499 N501 W530	D445-T466 WeakPolarHBondContact OD2-CB 3.33Å; D445-T466 VanDerWaalsContact OD2-CG2 3.28Å; D445-T466 WeakPolarHBondContact OD2-CG2 3.11Å; D445-T466 PolarHBondContact OD2-OG1 3.06Å; T466-F498 WeakPolarHBondContact O-CA 3.3Å; T466-F498 WeakPolarHBondContact O-CD2 3.25Å; T466-W499 VanDerWaalsContact CB-CZ2 3.43Å; T466-W499 HydrophobicContact CG2-CH2 3.47Å; T466-W499 VanDerWaalsContact CG2-CH2 3.47Å; T466-W499 HydrophobicContact CG2-CZ2 3.38Å; T466-W499 HydrophobicContact CG2-CZ3 4.21Å; T466-W499 PolarHBondContact N-O 2.8Å; T466-W499 PolarHBondContact O-N 3.24Å; T466-N501 PolarHBondContact OG1-ND2 3.2Å; T466-N501 PolarHBondContact OG1-OD1 3.2Å; T466-W530 VanDerWaalsContact OG1-CD1 3.31Å
467	W	98.4	Very high	90.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	114.5	171.2	-177	-74	0	0	0	109.7	Y354 I357 I415 I418 T419 F469 A496 F498 N528 K529	Y354-W467 AromaticContact CD2-CH2 3.37Å; Y354-W467 HydrophobicContact CD2-CH2 3.37Å; Y354-W467 HydrophobicContact CD2-CZ2 4.16Å; Y354-W467 AromaticContact CD2-CZ3 3.7Å; Y354-W467 HydrophobicContact CD2-CZ3 3.7Å; Y354-W467 AromaticContact CE2-CH2 3.67Å; Y354-W467 HydrophobicContact CE2-CH2 3.67Å; Y354-W467 AromaticContact CE2-CZ3 3.52Å; Y354-W467 HydrophobicContact CE2-CZ3 3.52Å; Y354-W467 AromaticContact CG-CH2 3.96Å; Y354-W467 HydrophobicContact CG-CH2 3.96Å; I357-W467 HydrophobicContact CG1-CZ2 4.2Å; I415-W467 HydrophobicContact CD1-CG 4.18Å; I415-W467 HydrophobicContact CG1-CD2 4.07Å; I415-W467 HydrophobicContact CG1-CG 4.21Å; I415-W467 HydrophobicContact CG1-CZ2 4.38Å; I415-W467 HydrophobicContact CG2-CB 4.43Å; I415-W467 HydrophobicContact CG2-CD2 3.97Å; I415-W467 HydrophobicContact CG2-CE3 3.97Å; I415-W467 HydrophobicContact CG2-CG 4.17Å; I418-W467 HydrophobicContact CB-CH2 4.13Å; I418-W467 HydrophobicContact CB-CZ3 4.3Å; I418-W467 HydrophobicContact CD1-CH2 3.7Å; I418-W467 HydrophobicContact CD1-CZ2 4.22Å; I418-W467 HydrophobicContact CG2-CH2 3.8Å; I418-W467 HydrophobicContact CG2-CZ3 3.9Å; T419-W467 HydrophobicContact CG2-CE3 3.59Å; T419-W467 HydrophobicContact CG2-CZ3 3.59Å; W467-F469 AromaticContact CD1-CD2 3.8Å; W467-F469 AromaticContact CD1-CE2 3.51Å; W467-F469 AromaticContact CD1-CZ 3.72Å; W467-F469 AromaticContact CE2-CZ 3.95Å; W467-F469 HydrophobicContact CZ2-CE1 4.27Å; W467-F469 HydrophobicContact CZ2-CZ 4.43Å; W467-F469 AromaticContact NE1-CD1 3.67Å; W467-F469 AromaticContact NE1-CD2 3.74Å; W467-F469 AromaticContact NE1-CE1 3.18Å; W467-F469 AromaticContact NE1-CE2 3.28Å; W467-F469 VanDerWaalsContact NE1-CE2 3.28Å; W467-F469 AromaticContact NE1-CG 3.93Å; W467-F469 AromaticContact NE1-CZ 2.98Å; W467-A496 HydrophobicContact CD2-CB 4.39Å; W467-A496 VanDerWaalsContact CE2-CB 3.46Å; W467-A496 HydrophobicContact CH2-CB 4.46Å; W467-A496 HydrophobicContact CZ2-CB 3.51Å; W467-F498 HydrophobicContact CB-CD2 4.45Å; W467-F498 HydrophobicContact CE3-CB 4Å; W467-F498 AromaticContact CE3-CD2 3.7Å; W467-F498 HydrophobicContact CE3-CD2 3.7Å; W467-F498 HydrophobicContact CE3-CG 4.12Å; W467-F498 HydrophobicContact CZ3-CB 4.3Å; W467-F498 HydrophobicContact CZ3-CD2 4.4Å; W467-F498 HydrophobicContact CZ3-CG 4.48Å; W467-N528 CarbonylContact O-C 3.46Å; W467-N528 WeakPolarHBondContact O-CA 3.25Å; W467-K529 HydrophobicContact CB-CB 4.22Å; W467-K529 PolarHBondContact N-O 3.17Å; W467-K529 PolarHBondContact O-N 2.91Å
468	L	98.3	Very high	91.9	Very high	9 Å²	9	24.6 Å²	24.6	5%	0.047	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	110.7	-175.2	173.7	71.8	0	0	0	110.7	Y470 T480 A496 V497 W499 V526 S527 N528	L468-Y470 HydrophobicContact CD2-CE1 4.41Å; L468-T480 HydrophobicContact CD2-CG2 4.27Å; L468-T480 WeakPolarHBondContact CD2-OG1 3.27Å; L468-A496 CarbonylContact O-C 3.58Å; L468-A496 WeakPolarHBondContact O-CA 3.17Å; L468-V497 PolarHBondContact N-O 2.9Å; L468-V497 PolarHBondContact O-N 2.77Å; L468-W499 HydrophobicContact CB-CH2 4.08Å; L468-W499 HydrophobicContact CB-CZ3 3.99Å; L468-W499 HydrophobicContact CD2-CH2 4.32Å; L468-W499 HydrophobicContact CD2-CZ3 4.4Å; L468-V526 HydrophobicContact CD1-CB 3.71Å; L468-V526 HydrophobicContact CD1-CG1 4.24Å; L468-V526 HydrophobicContact CD1-CG2 3.96Å; L468-S527 CarbonylContact C-O 3.57Å; L468-S527 WeakPolarHBondContact CA-O 3.13Å; L468-N528 WeakPolarHBondContact CD1-OD1 3.39Å
469	F	98.3	Very high	92.8	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.009	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	140.8	169.5	-67.9	-74.5	0	0	0	112.1	I357 I358 I411 I415 W467 M471 A496 V526 S527	I357-F469 HydrophobicContact CG2-CD1 4.07Å; I357-F469 HydrophobicContact CG2-CE1 3.79Å; I358-F469 HydrophobicContact CB-CD1 4.14Å; I358-F469 HydrophobicContact CB-CE1 4.09Å; I358-F469 HydrophobicContact CG2-CD1 3.82Å; I358-F469 HydrophobicContact CG2-CE1 4.27Å; I411-F469 HydrophobicContact CG2-CE2 3.59Å; I411-F469 HydrophobicContact CG2-CZ 3.72Å; I415-F469 HydrophobicContact CD1-CE2 3.85Å; I415-F469 HydrophobicContact CD1-CZ 4.03Å; I415-F469 HydrophobicContact CG1-CE2 4.42Å; I415-F469 HydrophobicContact CG1-CZ 4.09Å; W467-F469 AromaticContact CD1-CD2 3.8Å; W467-F469 AromaticContact CD1-CE2 3.51Å; W467-F469 AromaticContact CD1-CZ 3.72Å; W467-F469 AromaticContact CE2-CZ 3.95Å; W467-F469 HydrophobicContact CZ2-CE1 4.27Å; W467-F469 HydrophobicContact CZ2-CZ 4.43Å; W467-F469 AromaticContact NE1-CD1 3.67Å; W467-F469 AromaticContact NE1-CD2 3.74Å; W467-F469 AromaticContact NE1-CE1 3.18Å; W467-F469 AromaticContact NE1-CE2 3.28Å; W467-F469 VanDerWaalsContact NE1-CE2 3.28Å; W467-F469 AromaticContact NE1-CG 3.93Å; W467-F469 AromaticContact NE1-CZ 2.98Å; F469-M471 HydrophobicContact CB-CG 4.28Å; F469-A496 HydrophobicContact CD1-CB 3.66Å; F469-A496 HydrophobicContact CE1-CB 3.92Å; F469-A496 HydrophobicContact CG-CB 4.39Å; F469-V526 CarbonylContact O-C 3.58Å; F469-V526 WeakPolarHBondContact O-CA 3.43Å; F469-V526 VanDerWaalsContact O-CB 3.26Å; F469-V526 WeakPolarHBondContact O-CB 3.36Å; F469-S527 PolarHBondContact N-O 3.21Å; F469-S527 PolarHBondContact O-N 3.18Å
470	Y	97.7	Very high	93.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	113.1	163.7	-68.9	-69.7	0	0	0	110	L468 T480 V489 P491 K492 K493 G494 T495 V497 V526	L468-Y470 HydrophobicContact CD2-CE1 4.41Å; Y470-T480 WeakPolarHBondContact OH-CB 3.04Å; Y470-T480 PolarHBondContact OH-OG1 3.49Å; Y470-V489 HydrophobicContact CE2-CG1 4.04Å; Y470-V489 PolarHBondContact OH-O 2.92Å; Y470-P491 HydrophobicContact CD1-CB 3.51Å; Y470-P491 HydrophobicContact CD1-CG 4.11Å; Y470-P491 HydrophobicContact CE1-CB 3.71Å; Y470-P491 HydrophobicContact CE1-CG 3.8Å; Y470-P491 HydrophobicContact CG-CB 4.19Å; Y470-K492 WeakPolarHBondContact CB-O 3.37Å; Y470-K493 CarbonylContact O-C 3.6Å; Y470-K493 WeakPolarHBondContact O-CA 3.34Å; Y470-G494 PolarHBondContact O-N 2.95Å; Y470-T495 WeakPolarHBondContact CD2-OG1 3.13Å; Y470-T495 PolarHBondContact N-O 3.2Å; Y470-V497 HydrophobicContact CD2-CG2 4.41Å; Y470-V497 HydrophobicContact CE2-CB 4.46Å; Y470-V497 HydrophobicContact CE2-CG2 3.78Å; Y470-V526 HydrophobicContact CD1-CG1 3.82Å; Y470-V526 HydrophobicContact CE1-CG1 4.15Å
471	M	96.7	Very high	94.1	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	10%	0.103	C	C	.	.			trans	-104.8	4.3	-173.8	-65.3	-167.2	-62.9	0	0	113.6	I363 V366 K367 V431 F469 W525 V526	I363-M471 HydrophobicContact CG1-CB 4.29Å; I363-M471 HydrophobicContact CG1-CG 4.16Å; I363-M471 HydrophobicContact CG2-CB 3.91Å; I363-M471 HydrophobicContact CG2-CG 4.47Å; I363-M471 WeakPolarHBondContact CG2-O 3.33Å; V366-M471 HydrophobicContact CB-SD 4.25Å; V366-M471 HydrophobicContact CG1-CE 4.1Å; V366-M471 HydrophobicContact CG1-SD 3.74Å; K367-M471 WeakPolarHBondContact CE-O 3.47Å; K367-M471 PolarHBondContact NZ-O 2.81Å; V431-M471 HydrophobicContact CG1-CE 3.77Å; F469-M471 HydrophobicContact CB-CG 4.28Å; M471-W525 HydrophobicContact CB-CB 3.86Å; M471-W525 HydrophobicContact CE-CB 4.26Å; M471-W525 PolarHBondContact N-O 3.07Å; M471-V526 WeakPolarHBondContact CE-O 3.2Å
472	S	93.5	Very high	94.5	Very high	13 Å²	13	15.8 Å²	15.8	9%	0.091	9%	0.09	C	C	.	.	S	Bend	trans	-150.9	154.5	172.6	59.1	0	0	0	0	111	N523 K524 W525	S472-N523 VanDerWaalsContact CB-O 3.3Å; S472-N523 WeakPolarHBondContact CB-O 3.41Å; S472-N523 PolarHBondContact OG-O 3.41Å; S472-K524 WeakPolarHBondContact OG-CA 3.37Å; S472-W525 PolarHBondContact OG-N 3.07Å
473	D	91.6	Very high	94.5	Very high	100 Å²	100	14.3 Å²	14.3	54%	0.535	8%	0.082	S	C	.	.			trans	-82.3	136.6	167.8	-64.1	-57.6	0	0	0	109	K493	D473-K493 VanDerWaalsContact CG-CB 3.46Å; D473-K493 VanDerWaalsContact OD1-CB 3.29Å; D473-K493 WeakPolarHBondContact OD1-CB 3.32Å; D473-K493 PolarHBondContact OD1-N 2.94Å; D473-K493 VanDerWaalsContact OD2-CB 3.32Å; D473-K493 WeakPolarHBondContact OD2-CB 3.4Å
474	V	90.3	Very high	94.4	Very high	22 Å²	22	15.6 Å²	15.6	13%	0.133	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	126.3	177.7	-178.9	0	0	0	0	107.5	A476 G477 P491 V519 V521 K524	V474-A476 WeakPolarHBondContact CG1-O 3.4Å; V474-G477 WeakPolarHBondContact CG1-O 3.41Å; V474-P491 HydrophobicContact CB-CB 4.17Å; V474-P491 HydrophobicContact CB-CG 4.13Å; V474-P491 HydrophobicContact CG2-CB 3.84Å; V474-P491 HydrophobicContact CG2-CG 3.91Å; V474-V519 HydrophobicContact CG1-CG1 3.93Å; V474-V521 WeakPolarHBondContact CG1-O 3.16Å; V474-K524 HydrophobicContact CG2-CB 3.73Å; V474-K524 HydrophobicContact CG2-CG 4.05Å
475	T	89.2	Confident	94.1	Very high	86 Å²	86	16.9 Å²	16.9	53%	0.528	10%	0.1	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	-43.4	-174.6	-52.3	0	0	0	0	111.5	G162 V521	G162-T475 WeakPolarHBondContact O-CG2 3.28Å; T475-V521 WeakPolarHBondContact CB-O 3.47Å; T475-V521 HydrophobicContact CG2-CB 4.37Å; T475-V521 HydrophobicContact CG2-CG1 3.94Å; T475-V521 PolarHBondContact N-O 2.81Å
476	A	89.5	Confident	93.8	Very high	16 Å²	16	17 Å²	17	13%	0.132	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	144.1	174.9	0	0	0	0	0	111.4	V474 L520 V521	V474-A476 WeakPolarHBondContact CG1-O 3.4Å; A476-L520 HydrophobicContact CB-CB 4.13Å; A476-L520 HydrophobicContact CB-CD2 4.11Å; A476-L520 HydrophobicContact CB-CG 4.35Å; A476-L520 WeakPolarHBondContact O-CB 3.38Å; A476-L520 PolarHBondContact O-N 3.01Å; A476-V521 HydrophobicContact CB-CB 3.96Å; A476-V521 HydrophobicContact CB-CG2 4.08Å; A476-V521 PolarHBondContact N-O 3.12Å; A476-V521 PolarHBondContact O-N 2.92Å
477	G	91.1	Very high	93.5	Very high	5 Å²	5	17.1 Å²	17.1	5%	0.052	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	75.4	-159.1	-177.7	0	0	0	0	0	113.8	Y148 V474 A479	Y148-G477 WeakPolarHBondContact OH-CA 3.14Å; V474-G477 WeakPolarHBondContact CG1-O 3.41Å; G477-A479 VanDerWaalsContact C-N 3.31Å; G477-A479 PolarHBondContact O-N 2.73Å
478	G	92.6	Very high	93.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	12%	0.115	C	C	.	.			trans	73.8	9.9	172.9	0	0	0	0	0	116.5	P491 C517 P518 K524	G478-P491 WeakPolarHBondContact O-CG 3.49Å; G478-C517 WeakPolarHBondContact CA-O 3.43Å; G478-P518 PolarHBondContact N-O 2.77Å; G478-P518 VanDerWaalsContact N-O 3.08Å; G478-K524 WeakPolarHBondContact O-CE 3.49Å; G478-K524 PolarHBondContact O-NZ 2.96Å
479	A	94.6	Very high	93.2	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.113	C	C	.	.			trans	-58.9	149.5	176	0	0	0	0	0	113.1	G477 V481 V489 W490 C517	G477-A479 VanDerWaalsContact C-N 3.31Å; G477-A479 PolarHBondContact O-N 2.73Å; A479-V481 HydrophobicContact CB-CG1 3.98Å; A479-V489 WeakPolarHBondContact CA-O 3.12Å; A479-W490 HydrophobicContact CB-CD2 3.97Å; A479-W490 HydrophobicContact CB-CE3 3.87Å; A479-W490 HydrophobicContact CB-CH2 4.32Å; A479-W490 HydrophobicContact CB-CZ2 4.4Å; A479-W490 HydrophobicContact CB-CZ3 4.06Å; A479-C517 HydrophobicContact CB-CB 4.4Å; A479-C517 WeakPolarHBondContact O-CB 3.39Å; A479-C517 PolarHBondContact O-N 2.82Å
480	T	95.9	Very high	93	Very high	5 Å²	5	23.6 Å²	23.6	3%	0.031	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	120.7	161	-63.5	0	0	0	0	107.6	L468 Y470 F482 V489 A515	L468-T480 HydrophobicContact CD2-CG2 4.27Å; L468-T480 WeakPolarHBondContact CD2-OG1 3.27Å; Y470-T480 WeakPolarHBondContact OH-CB 3.04Å; Y470-T480 PolarHBondContact OH-OG1 3.49Å; T480-F482 HydrophobicContact CG2-CE2 4.06Å; T480-F482 HydrophobicContact CG2-CZ 4.45Å; T480-V489 PolarHBondContact N-O 2.74Å; T480-V489 PolarHBondContact O-N 2.81Å; T480-A515 CarbonylContact C-O 3.56Å; T480-A515 WeakPolarHBondContact CA-O 3.25Å
481	V	95.8	Very high	92.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	149.2	-172.7	-62.8	0	0	0	0	110.8	Y303 L306 A479 P483 A487 A488 H514 A515 C517	Y303-V481 HydrophobicContact CD2-CG2 3.83Å; Y303-V481 HydrophobicContact CE2-CG2 4.14Å; L306-V481 HydrophobicContact CB-CB 3.82Å; L306-V481 HydrophobicContact CB-CG1 3.72Å; L306-V481 HydrophobicContact CB-CG2 4.31Å; L306-V481 HydrophobicContact CD1-CB 4.14Å; A479-V481 HydrophobicContact CB-CG1 3.98Å; V481-P483 WeakPolarHBondContact O-CD 3.36Å; V481-A487 WeakPolarHBondContact CA-O 3.42Å; V481-A488 HydrophobicContact CG1-CB 3.93Å; V481-H514 CarbonylContact O-C 3.6Å; V481-H514 WeakPolarHBondContact O-CA 3.47Å; V481-H514 WeakPolarHBondContact O-CB 3.33Å; V481-A515 HydrophobicContact CG2-CB 3.96Å; V481-A515 PolarHBondContact N-O 3.01Å; V481-A515 PolarHBondContact O-N 3.32Å; V481-C517 WeakPolarHBondContact CG1-SG 3.23Å
482	F	95.1	Very high	92.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	90.4	178.4	-63.1	-104.9	0	0	0	108.8	I351 T480 D484 V485 G486 A487 V489 W499 R513 H514	I351-F482 HydrophobicContact CD1-CD1 4.04Å; I351-F482 HydrophobicContact CD1-CD2 3.63Å; I351-F482 HydrophobicContact CD1-CE1 3.95Å; I351-F482 HydrophobicContact CD1-CE2 3.55Å; I351-F482 HydrophobicContact CD1-CG 3.9Å; I351-F482 HydrophobicContact CD1-CZ 3.71Å; I351-F482 HydrophobicContact CG1-CE2 4.47Å; I351-F482 HydrophobicContact CG1-CZ 4.26Å; T480-F482 HydrophobicContact CG2-CE2 4.06Å; T480-F482 HydrophobicContact CG2-CZ 4.45Å; F482-D484 VanDerWaalsContact C-N 3.29Å; F482-D484 PolarHBondContact O-N 3.21Å; F482-V485 HydrophobicContact CB-CG2 3.53Å; F482-V485 PolarHBondContact O-N 3.3Å; F482-G486 PolarHBondContact O-N 3.06Å; F482-A487 HydrophobicContact CB-CB 4.07Å; F482-A487 HydrophobicContact CD2-CB 4.1Å; F482-A487 HydrophobicContact CG-CB 4.38Å; F482-A487 PolarHBondContact N-O 3.39Å; F482-A487 PolarHBondContact O-N 3.37Å; F482-V489 HydrophobicContact CE2-CG2 4.45Å; F482-W499 HydrophobicContact CE1-CD2 4.25Å; F482-W499 HydrophobicContact CE1-CG 4.37Å; F482-W499 AromaticContact CZ-CD2 4Å; F482-W499 HydrophobicContact CZ-CD2 4Å; F482-W499 HydrophobicContact CZ-CE3 4.1Å; F482-W499 HydrophobicContact CZ-CG 4.45Å; F482-W499 HydrophobicContact CZ-CZ3 4.43Å; F482-R513 VanDerWaalsContact CA-O 3.32Å; F482-R513 WeakPolarHBondContact CA-O 3.49Å; F482-H514 HydrophobicContact CD1-CB 3.65Å; F482-H514 HydrophobicContact CD2-CB 4.45Å; F482-H514 HydrophobicContact CE1-CB 3.65Å; F482-H514 HydrophobicContact CE2-CB 4.44Å; F482-H514 HydrophobicContact CG-CB 4.06Å; F482-H514 HydrophobicContact CZ-CB 4.05Å
483	P	92.1	Very high	93	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-35.7	-168.6	-30.2	38.4	0	0	0	115.8	F294 L306 P442 V481 R513	F294-P483 WeakPolarHBondContact CE1-O 3.2Å; L306-P483 VanDerWaalsContact CD1-CA 3.45Å; L306-P483 HydrophobicContact CD1-CB 4.34Å; L306-P483 HydrophobicContact CD1-CG 4.49Å; P442-P483 HydrophobicContact CB-CG 4.38Å; P442-P483 HydrophobicContact CG-CG 4.22Å; V481-P483 WeakPolarHBondContact O-CD 3.36Å; P483-R513 WeakPolarHBondContact CD-O 3.34Å
484	D	90.3	Very high	93.3	Very high	67 Å²	67	26.6 Å²	26.6	36%	0.358	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-32.4	-173.4	-70.1	-34.7	0	0	0	112.9	F482 R513	F482-D484 VanDerWaalsContact C-N 3.29Å; F482-D484 PolarHBondContact O-N 3.21Å; D484-R513 WeakPolarHBondContact OD2-CB 3.49Å
485	V	90.6	Very high	93.6	Very high	28 Å²	28	25.6 Å²	25.6	17%	0.17	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-15.8	178	-62.5	0	0	0	0	113.7	W346 F482 A487	W346-V485 WeakPolarHBondContact CZ2-O 3.5Å; F482-V485 HydrophobicContact CB-CG2 3.53Å; F482-V485 PolarHBondContact O-N 3.3Å; V485-A487 HydrophobicContact CG2-CB 3.91Å
486	G	90.9	Very high	94.1	Very high	3 Å²	3	21.5 Å²	21.5	3%	0.031	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	21.3	-179.4	0	0	0	0	0	114.6	L306 F482	L306-G486 VanDerWaalsContact CD2-C 3.43Å; L306-G486 WeakPolarHBondContact CD2-O 3.36Å; F482-G486 PolarHBondContact O-N 3.06Å
487	A	92.1	Very high	94.5	Very high	2 Å²	2	20.7 Å²	20.7	2%	0.017	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	147.7	176.8	0	0	0	0	0	111.1	W346 I351 V481 F482 V485	W346-A487 HydrophobicContact CB-CB 4.41Å; W346-A487 HydrophobicContact CD2-CB 3.43Å; W346-A487 VanDerWaalsContact CD2-CB 3.43Å; W346-A487 HydrophobicContact CE3-CB 3.51Å; W346-A487 HydrophobicContact CG-CB 3.85Å; W346-A487 HydrophobicContact CH2-CB 4.32Å; W346-A487 HydrophobicContact CZ2-CB 4.25Å; W346-A487 HydrophobicContact CZ3-CB 3.98Å; I351-A487 HydrophobicContact CD1-CB 4.06Å; V481-A487 WeakPolarHBondContact CA-O 3.42Å; F482-A487 HydrophobicContact CB-CB 4.07Å; F482-A487 HydrophobicContact CD2-CB 4.1Å; F482-A487 HydrophobicContact CG-CB 4.38Å; F482-A487 PolarHBondContact N-O 3.39Å; F482-A487 PolarHBondContact O-N 3.37Å; V485-A487 HydrophobicContact CG2-CB 3.91Å
488	A	94	Very high	94.8	Very high	33 Å²	33	20.9 Å²	20.9	27%	0.273	11%	0.105	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	128.8	175.8	0	0	0	0	0	110.1	V481	V481-A488 HydrophobicContact CG1-CB 3.93Å
489	V	94.5	Very high	95.1	Very high	3 Å²	3	20.9 Å²	20.9	2%	0.018	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	110.8	-175.8	173.5	0	0	0	0	107.9	E345 I351 Y470 A479 T480 F482 V497	E345-V489 HydrophobicContact CB-CG2 4.31Å; E345-V489 HydrophobicContact CG-CG2 4.45Å; I351-V489 HydrophobicContact CG2-CG2 4.18Å; Y470-V489 HydrophobicContact CE2-CG1 4.04Å; Y470-V489 PolarHBondContact OH-O 2.92Å; A479-V489 WeakPolarHBondContact CA-O 3.12Å; T480-V489 PolarHBondContact N-O 2.74Å; T480-V489 PolarHBondContact O-N 2.81Å; F482-V489 HydrophobicContact CE2-CG2 4.45Å; V489-V497 HydrophobicContact CG1-CB 4.37Å; V489-V497 HydrophobicContact CG1-CG1 4.2Å; V489-V497 HydrophobicContact CG1-CG2 3.64Å
490	W	94.1	Very high	95.2	Very high	111 Å²	111	24.4 Å²	24.4	42%	0.42	12%	0.119	S	C	.	.			trans	-80.4	142.7	-178.2	-66.9	91.3	0	0	0	111.9	C307 R353 A479 K492	C307-W490 WeakPolarHBondContact O-CH2 3.43Å; R353-W490 PolarHBondContact NH1-O 3.49Å; R353-W490 PolarHBondContact NH2-O 2.88Å; A479-W490 HydrophobicContact CB-CD2 3.97Å; A479-W490 HydrophobicContact CB-CE3 3.87Å; A479-W490 HydrophobicContact CB-CH2 4.32Å; A479-W490 HydrophobicContact CB-CZ2 4.4Å; A479-W490 HydrophobicContact CB-CZ3 4.06Å; W490-K492 PolarHBondContact O-N 3.09Å
491	P	94.7	Very high	95.2	Very high	16 Å²	16	24.2 Å²	24.2	10%	0.104	12%	0.117	C	C	.	.			trans	-63.1	135	178.7	-22.2	35.7	0	0	0	111.3	Y470 V474 G478	Y470-P491 HydrophobicContact CD1-CB 3.51Å; Y470-P491 HydrophobicContact CD1-CG 4.11Å; Y470-P491 HydrophobicContact CE1-CB 3.71Å; Y470-P491 HydrophobicContact CE1-CG 3.8Å; Y470-P491 HydrophobicContact CG-CB 4.19Å; V474-P491 HydrophobicContact CB-CB 4.17Å; V474-P491 HydrophobicContact CB-CG 4.13Å; V474-P491 HydrophobicContact CG2-CB 3.84Å; V474-P491 HydrophobicContact CG2-CG 3.91Å; G478-P491 WeakPolarHBondContact O-CG 3.49Å
492	K	96.3	Very high	95.1	Very high	103 Å²	103	24.4 Å²	24.4	45%	0.448	12%	0.118	S	C	.	.			trans	-141.3	119.8	170.9	-179.2	177	174.8	-177.4	0	108.2	Y470 W490 T495	Y470-K492 WeakPolarHBondContact CB-O 3.37Å; W490-K492 PolarHBondContact O-N 3.09Å; K492-T495 HydrophobicContact CB-CG2 3.86Å; K492-T495 HydrophobicContact CD-CG2 3.87Å; K492-T495 HydrophobicContact CG-CG2 3.79Å; K492-T495 WeakPolarHBondContact O-CB 3.44Å; K492-T495 WeakPolarHBondContact O-CG2 3.39Å; K492-T495 PolarHBondContact O-N 3.1Å; K492-T495 PolarHBondContact O-OG1 2.98Å
493	K	97.4	Very high	95	Very high	53 Å²	53	26.5 Å²	26.5	23%	0.23	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	140.9	-176.6	-172.6	-178.4	174.8	-153.5	0	111.2	D360 I363 Y470 D473 T495	D360-K493 WeakPolarHBondContact OD1-CE 3.36Å; D360-K493 IonicContact OD1-NZ 3.82Å; D360-K493 PolarHBondContact OD1-NZ 2.89Å; D360-K493 IonicContact OD2-NZ 4Å; D360-K493 PolarHBondContact OD2-NZ 2.91Å; I363-K493 HydrophobicContact CD1-CG 3.89Å; Y470-K493 CarbonylContact O-C 3.6Å; Y470-K493 WeakPolarHBondContact O-CA 3.34Å; D473-K493 VanDerWaalsContact CG-CB 3.46Å; D473-K493 VanDerWaalsContact OD1-CB 3.29Å; D473-K493 WeakPolarHBondContact OD1-CB 3.32Å; D473-K493 PolarHBondContact OD1-N 2.94Å; D473-K493 VanDerWaalsContact OD2-CB 3.32Å; D473-K493 WeakPolarHBondContact OD2-CB 3.4Å; K493-T495 PolarHBondContact O-N 3.33Å
494	G	97.7	Very high	94.9	Very high	6 Å²	6	27.6 Å²	27.6	6%	0.062	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	1.5	178.9	0	0	0	0	0	114.1	D356 I357 Y470	D356-G494 CarbonylContact C-O 3.51Å; D356-G494 WeakPolarHBondContact CA-O 3.3Å; D356-G494 PolarHBondContact N-O 2.8Å; I357-G494 PolarHBondContact N-O 2.81Å; Y470-G494 PolarHBondContact O-N 2.95Å
495	T	98.1	Very high	94.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	157.3	176.6	71	0	0	0	0	111.6	R353 Y354 L355 Y470 K492 K493	R353-T495 PolarHBondContact NH1-OG1 3Å; Y354-T495 CarbonylContact O-C 3.57Å; Y354-T495 WeakPolarHBondContact O-CA 3.19Å; Y354-T495 VanDerWaalsContact O-CB 3.3Å; Y354-T495 WeakPolarHBondContact O-CB 3.34Å; L355-T495 HydrophobicContact CD2-CG2 3.59Å; Y470-T495 WeakPolarHBondContact CD2-OG1 3.13Å; Y470-T495 PolarHBondContact N-O 3.2Å; K492-T495 HydrophobicContact CB-CG2 3.86Å; K492-T495 HydrophobicContact CD-CG2 3.87Å; K492-T495 HydrophobicContact CG-CG2 3.79Å; K492-T495 WeakPolarHBondContact O-CB 3.44Å; K492-T495 WeakPolarHBondContact O-CG2 3.39Å; K492-T495 PolarHBondContact O-N 3.1Å; K492-T495 PolarHBondContact O-OG1 2.98Å; K493-T495 PolarHBondContact O-N 3.33Å
496	A	98.3	Very high	94.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	152	167.8	0	0	0	0	0	110.5	R353 Y354 I357 W467 L468 F469	R353-A496 CarbonylContact C-O 3.55Å; R353-A496 VanDerWaalsContact CA-O 3.26Å; R353-A496 WeakPolarHBondContact CA-O 2.99Å; R353-A496 WeakPolarHBondContact CG-O 3.34Å; Y354-A496 PolarHBondContact N-O 2.81Å; Y354-A496 PolarHBondContact O-N 3.36Å; I357-A496 HydrophobicContact CG2-CB 3.64Å; W467-A496 HydrophobicContact CD2-CB 4.39Å; W467-A496 VanDerWaalsContact CE2-CB 3.46Å; W467-A496 HydrophobicContact CH2-CB 4.46Å; W467-A496 HydrophobicContact CZ2-CB 3.51Å; L468-A496 CarbonylContact O-C 3.58Å; L468-A496 WeakPolarHBondContact O-CA 3.17Å; F469-A496 HydrophobicContact CD1-CB 3.66Å; F469-A496 HydrophobicContact CE1-CB 3.92Å; F469-A496 HydrophobicContact CG-CB 4.39Å
497	V	98.1	Very high	94.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	135.7	176	176.3	0	0	0	0	109	I351 V352 R353 L468 Y470 V489 W499	I351-V497 HydrophobicContact CG2-CG1 3.58Å; V352-V497 CarbonylContact O-C 3.55Å; V352-V497 WeakPolarHBondContact O-CA 3.24Å; R353-V497 HydrophobicContact CB-CG2 4.07Å; R353-V497 HydrophobicContact CG-CG2 3.99Å; L468-V497 PolarHBondContact N-O 2.9Å; L468-V497 PolarHBondContact O-N 2.77Å; Y470-V497 HydrophobicContact CD2-CG2 4.41Å; Y470-V497 HydrophobicContact CE2-CB 4.46Å; Y470-V497 HydrophobicContact CE2-CG2 3.78Å; V489-V497 HydrophobicContact CG1-CB 4.37Å; V489-V497 HydrophobicContact CG1-CG1 4.2Å; V489-V497 HydrophobicContact CG1-CG2 3.64Å; V497-W499 HydrophobicContact CG1-CE3 4.02Å; V497-W499 HydrophobicContact CG1-CZ3 4.06Å
498	F	98.3	Very high	94.7	Very high	8 Å²	8	29 Å²	29	4%	0.035	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	138.5	-172.4	174.5	-99.1	0	0	0	110.1	V352 Y354 T419 L421 A465 T466 W467 Y500 I531	V352-F498 HydrophobicContact CG1-CB 3.85Å; V352-F498 HydrophobicContact CG1-CD1 3.81Å; V352-F498 HydrophobicContact CG1-CG 4.33Å; V352-F498 PolarHBondContact N-O 2.96Å; V352-F498 PolarHBondContact O-N 3.09Å; Y354-F498 HydrophobicContact CE2-CB 3.95Å; T419-F498 HydrophobicContact CG2-CD2 4.03Å; T419-F498 HydrophobicContact CG2-CE2 3.68Å; T419-F498 HydrophobicContact CG2-CZ 4.1Å; L421-F498 HydrophobicContact CD1-CZ 4.32Å; A465-F498 HydrophobicContact CB-CE2 3.59Å; A465-F498 HydrophobicContact CB-CZ 3.86Å; T466-F498 WeakPolarHBondContact O-CA 3.3Å; T466-F498 WeakPolarHBondContact O-CD2 3.25Å; W467-F498 HydrophobicContact CB-CD2 4.45Å; W467-F498 HydrophobicContact CE3-CB 4Å; W467-F498 AromaticContact CE3-CD2 3.7Å; W467-F498 HydrophobicContact CE3-CD2 3.7Å; W467-F498 HydrophobicContact CE3-CG 4.12Å; W467-F498 HydrophobicContact CZ3-CB 4.3Å; W467-F498 HydrophobicContact CZ3-CD2 4.4Å; W467-F498 HydrophobicContact CZ3-CG 4.48Å; F498-Y500 HydrophobicContact CE1-CD2 4.02Å; F498-Y500 AromaticContact CE1-CE2 3.58Å; F498-Y500 HydrophobicContact CE1-CE2 3.58Å; F498-Y500 AromaticContact CE1-CZ 3.87Å; F498-Y500 HydrophobicContact CZ-CD1 4.44Å; F498-Y500 HydrophobicContact CZ-CD2 4.3Å; F498-Y500 HydrophobicContact CZ-CE1 4Å; F498-Y500 AromaticContact CZ-CE2 3.86Å; F498-Y500 HydrophobicContact CZ-CE2 3.86Å; F498-Y500 AromaticContact CZ-CZ 3.68Å; F498-I531 HydrophobicContact CE2-CD1 4.41Å
499	W	98.1	Very high	94.7	Very high	1 Å²	1	28.5 Å²	28.5	0%	0.004	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	154.8	170.4	63.4	93.1	0	0	0	109.6	I351 A465 T466 L468 F482 V497 N501 H514	I351-W499 HydrophobicContact CG1-CB 4.35Å; A465-W499 WeakPolarHBondContact CA-O 3.45Å; T466-W499 VanDerWaalsContact CB-CZ2 3.43Å; T466-W499 HydrophobicContact CG2-CH2 3.47Å; T466-W499 VanDerWaalsContact CG2-CH2 3.47Å; T466-W499 HydrophobicContact CG2-CZ2 3.38Å; T466-W499 HydrophobicContact CG2-CZ3 4.21Å; T466-W499 PolarHBondContact N-O 2.8Å; T466-W499 PolarHBondContact O-N 3.24Å; L468-W499 HydrophobicContact CB-CH2 4.08Å; L468-W499 HydrophobicContact CB-CZ3 3.99Å; L468-W499 HydrophobicContact CD2-CH2 4.32Å; L468-W499 HydrophobicContact CD2-CZ3 4.4Å; F482-W499 HydrophobicContact CE1-CD2 4.25Å; F482-W499 HydrophobicContact CE1-CG 4.37Å; F482-W499 AromaticContact CZ-CD2 4Å; F482-W499 HydrophobicContact CZ-CD2 4Å; F482-W499 HydrophobicContact CZ-CE3 4.1Å; F482-W499 HydrophobicContact CZ-CG 4.45Å; F482-W499 HydrophobicContact CZ-CZ3 4.43Å; V497-W499 HydrophobicContact CG1-CE3 4.02Å; V497-W499 HydrophobicContact CG1-CZ3 4.06Å; W499-N501 VanDerWaalsContact CD1-OD1 3.3Å; W499-N501 PolarHBondContact NE1-OD1 3.12Å; W499-H514 AromaticContact CZ2-CE1 3.62Å; W499-H514 AromaticContact CZ2-ND1 3.99Å; W499-H514 AromaticContact CZ2-NE2 3.61Å
500	Y	97.1	Very high	94.6	Very high	74 Å²	74	33.9 Å²	33.9	29%	0.29	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	135.7	168.3	-72.5	-81.1	0	0	0	109.3	L421 I464 A465 F498 T512	L421-Y500 HydrophobicContact CD1-CE1 4.02Å; I464-Y500 CarbonylContact O-C 3.59Å; I464-Y500 WeakPolarHBondContact O-CA 3.29Å; A465-Y500 HydrophobicContact CB-CD1 3.88Å; A465-Y500 HydrophobicContact CB-CE1 4.21Å; F498-Y500 HydrophobicContact CE1-CD2 4.02Å; F498-Y500 AromaticContact CE1-CE2 3.58Å; F498-Y500 HydrophobicContact CE1-CE2 3.58Å; F498-Y500 AromaticContact CE1-CZ 3.87Å; F498-Y500 HydrophobicContact CZ-CD1 4.44Å; F498-Y500 HydrophobicContact CZ-CD2 4.3Å; F498-Y500 HydrophobicContact CZ-CE1 4Å; F498-Y500 AromaticContact CZ-CE2 3.86Å; F498-Y500 HydrophobicContact CZ-CE2 3.86Å; F498-Y500 AromaticContact CZ-CZ 3.68Å; Y500-T512 WeakPolarHBondContact O-CG2 2.85Å
501	N	96.3	Very high	94.6	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	-87.2	-26.5	175.4	-66.6	-38.6	0	0	0	111.9	D445 F446 R463 I464 A465 T466 W499 D509	D445-N501 WeakPolarHBondContact CB-ND2 3.32Å; F446-N501 HydrophobicContact CB-CB 4.18Å; F446-N501 HydrophobicContact CD1-CB 4.01Å; F446-N501 WeakPolarHBondContact CD1-O 3.49Å; R463-N501 VanDerWaalsContact O-CB 3.29Å; R463-N501 WeakPolarHBondContact O-CB 3.38Å; I464-N501 PolarHBondContact O-N 2.81Å; A465-N501 VanDerWaalsContact C-ND2 3.35Å; T466-N501 PolarHBondContact OG1-ND2 3.2Å; T466-N501 PolarHBondContact OG1-OD1 3.2Å; W499-N501 VanDerWaalsContact CD1-OD1 3.3Å; W499-N501 PolarHBondContact NE1-OD1 3.12Å; N501-D509 PolarHBondContact O-N 3.21Å
502	L	93.9	Very high	94.6	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.021	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-118.6	149.9	-178.7	-53.1	-178.3	0	0	0	110.2	F446 N462 I464 E507 R540	F446-L502 HydrophobicContact CB-CD2 3.57Å; F446-L502 HydrophobicContact CB-CG 4.45Å; F446-L502 HydrophobicContact CD1-CD2 4.29Å; F446-L502 HydrophobicContact CD2-CD2 3.97Å; F446-L502 HydrophobicContact CG-CD2 3.69Å; N462-L502 HydrophobicContact CB-CD1 3.84Å; I464-L502 HydrophobicContact CG2-CD1 3.91Å; I464-L502 PolarHBondContact O-N 2.71Å; L502-E507 CarbonylContact C-O 3.48Å; L502-E507 VanDerWaalsContact CA-O 3.23Å; L502-E507 WeakPolarHBondContact CA-O 3.37Å; L502-R540 PolarHBondContact O-NH2 3.01Å
503	F	92.8	Very high	94.5	Very high	45 Å²	45	27.2 Å²	27.2	20%	0.197	14%	0.139	C	C	.	.			trans	-66.3	170.8	164.7	-64.1	-65.8	0	0	0	111.1	S505 G506 E507 D509 R540 E546 T547	F503-S505 PolarHBondContact O-N 2.81Å; F503-G506 PolarHBondContact O-N 3.13Å; F503-G506 VanDerWaalsContact O-N 3.1Å; F503-E507 HydrophobicContact CD2-CB 4.15Å; F503-E507 WeakPolarHBondContact CD2-O 3.36Å; F503-E507 PolarHBondContact N-O 3.46Å; F503-D509 HydrophobicContact CD1-CB 4.47Å; F503-D509 HydrophobicContact CD2-CB 4.25Å; F503-D509 HydrophobicContact CE1-CB 4Å; F503-D509 HydrophobicContact CE2-CB 3.78Å; F503-D509 HydrophobicContact CZ-CB 3.63Å; F503-D509 WeakPolarHBondContact CZ-OD1 2.99Å; F503-R540 VanDerWaalsContact C-NH2 3.3Å; F503-R540 PolarHBondContact O-NH1 3.11Å; F503-R540 PolarHBondContact O-NH2 3.12Å; F503-R540 VanDerWaalsContact O-NH2 3.12Å; F503-E546 WeakPolarHBondContact CB-O 3.23Å; F503-T547 HydrophobicContact CE2-CG2 4.28Å
504	A	90.3	Very high	94.5	Very high	23 Å²	23	25.2 Å²	25.2	19%	0.19	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-26.8	176.9	0	0	0	0	0	111.5	G506 C542 E548	A504-G506 PolarHBondContact O-N 3.42Å; A504-C542 VanDerWaalsContact O-CA 3.29Å; A504-C542 WeakPolarHBondContact O-CA 3.01Å; A504-E548 WeakPolarHBondContact CB-O 3.45Å; A504-E548 PolarHBondContact N-O 2.82Å; A504-E548 VanDerWaalsContact N-O 3.13Å
505	S	89.1	Confident	94.3	Very high	37 Å²	37	25 Å²	25	26%	0.259	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-16.9	173.6	62.8	0	0	0	0	114.9	F503 E507 E546	F503-S505 PolarHBondContact O-N 2.81Å; S505-E507 VanDerWaalsContact C-N 3.35Å; S505-E507 WeakPolarHBondContact OG-CB 3.34Å; S505-E507 PolarHBondContact OG-N 3.43Å; S505-E507 VanDerWaalsContact OG-N 3.16Å; S505-E546 PolarHBondContact OG-O 3.17Å
506	G	87.9	Confident	94.1	Very high	22 Å²	22	25.2 Å²	25.2	23%	0.227	13%	0.13	C	C	.	.	S	Bend	trans	89.9	-6.1	-169	0	0	0	0	0	113.9	F503 A504	F503-G506 PolarHBondContact O-N 3.13Å; F503-G506 VanDerWaalsContact O-N 3.1Å; A504-G506 PolarHBondContact O-N 3.42Å
507	E	89.3	Confident	93.8	Very high	60 Å²	60	25.2 Å²	25.2	28%	0.28	13%	0.13	S	C	.	.			trans	-70.5	144.7	175.3	-74.3	-69.1	159.5	0	0	112.1	K449 L502 F503 S505 D509	K449-E507 VanDerWaalsContact CE-OE1 3.25Å; K449-E507 WeakPolarHBondContact CE-OE1 3.4Å; K449-E507 WeakPolarHBondContact CE-OE2 3.37Å; K449-E507 IonicContact NZ-OE1 2.83Å; K449-E507 PolarHBondContact NZ-OE1 2.89Å; K449-E507 IonicContact NZ-OE2 3.52Å; K449-E507 PolarHBondContact NZ-OE2 2.8Å; L502-E507 CarbonylContact C-O 3.48Å; L502-E507 VanDerWaalsContact CA-O 3.23Å; L502-E507 WeakPolarHBondContact CA-O 3.37Å; F503-E507 HydrophobicContact CD2-CB 4.15Å; F503-E507 WeakPolarHBondContact CD2-O 3.36Å; F503-E507 PolarHBondContact N-O 3.46Å; S505-E507 VanDerWaalsContact C-N 3.35Å; S505-E507 WeakPolarHBondContact OG-CB 3.34Å; S505-E507 PolarHBondContact OG-N 3.43Å; S505-E507 VanDerWaalsContact OG-N 3.16Å; E507-D509 PolarHBondContact O-N 2.78Å
508	G	91.7	Very high	93.6	Very high	11 Å²	11	25.2 Å²	25.2	11%	0.113	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-67	127.2	179.1	0	0	0	0	0	113.2	F446 Y510	F446-G508 VanDerWaalsContact CE2-CA 3.47Å; G508-Y510 WeakPolarHBondContact O-CD2 3.36Å; G508-Y510 PolarHBondContact O-N 2.98Å
509	D	94.1	Very high	93.2	Very high	22 Å²	22	25.1 Å²	25.1	12%	0.118	13%	0.13	C	C	.	.			trans	-83.6	95.4	172.5	-174.9	-4.1	0	0	0	110	N501 F503 E507 S511 T512	N501-D509 PolarHBondContact O-N 3.21Å; F503-D509 HydrophobicContact CD1-CB 4.47Å; F503-D509 HydrophobicContact CD2-CB 4.25Å; F503-D509 HydrophobicContact CE1-CB 4Å; F503-D509 HydrophobicContact CE2-CB 3.78Å; F503-D509 HydrophobicContact CZ-CB 3.63Å; F503-D509 WeakPolarHBondContact CZ-OD1 2.99Å; E507-D509 PolarHBondContact O-N 2.78Å; D509-S511 PolarHBondContact O-N 2.84Å; D509-S511 WeakPolarHBondContact OD1-CB 3.4Å; D509-S511 PolarHBondContact OD1-N 3.41Å; D509-S511 PolarHBondContact OD1-OG 3.26Å; D509-S511 PolarHBondContact OD2-OG 3.42Å; D509-S511 VanDerWaalsContact OD2-OG 3.09Å; D509-T512 HydrophobicContact CB-CG2 3.81Å; D509-T512 WeakPolarHBondContact O-CB 3.39Å; D509-T512 WeakPolarHBondContact O-CG2 2.98Å; D509-T512 PolarHBondContact O-N 2.78Å; D509-T512 PolarHBondContact O-OG1 3.06Å
510	Y	92.9	Very high	92.8	Very high	116 Å²	116	26.1 Å²	26.1	46%	0.455	14%	0.135	S	C	.	.	G	3₁₀ helix	trans	-61	-16	178.6	-71.8	-90.3	0	0	0	113.9	F444 G508 T512 R513	F444-Y510 HydrophobicContact CE1-CD1 4.11Å; F444-Y510 WeakPolarHBondContact CE1-O 3.46Å; F444-Y510 HydrophobicContact CE2-CD1 4.22Å; F444-Y510 AromaticContact CZ-CD1 3.63Å; F444-Y510 HydrophobicContact CZ-CD1 3.63Å; F444-Y510 HydrophobicContact CZ-CE1 4.36Å; F444-Y510 HydrophobicContact CZ-CG 4.46Å; G508-Y510 WeakPolarHBondContact O-CD2 3.36Å; G508-Y510 PolarHBondContact O-N 2.98Å; Y510-T512 PolarHBondContact O-N 3.28Å; Y510-R513 PolarHBondContact O-N 2.69Å
511	S	93.5	Very high	92.3	Very high	29 Å²	29	23.7 Å²	23.7	20%	0.203	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-73.5	-11.3	175	79.8	0	0	0	0	113.4	P349 D509 R513	P349-S511 WeakPolarHBondContact CB-OG 3.2Å; P349-S511 WeakPolarHBondContact CD-OG 2.98Å; D509-S511 PolarHBondContact O-N 2.84Å; D509-S511 WeakPolarHBondContact OD1-CB 3.4Å; D509-S511 PolarHBondContact OD1-N 3.41Å; D509-S511 PolarHBondContact OD1-OG 3.26Å; D509-S511 PolarHBondContact OD2-OG 3.42Å; D509-S511 VanDerWaalsContact OD2-OG 3.09Å; S511-R513 VanDerWaalsContact C-N 3.3Å
512	T	95.6	Very high	91.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-87.1	4.4	178	68.4	0	0	0	0	113.3	P349 Y500 D509 Y510 H514	P349-T512 HydrophobicContact CB-CG2 4.1Å; P349-T512 HydrophobicContact CG-CG2 4.31Å; Y500-T512 WeakPolarHBondContact O-CG2 2.85Å; D509-T512 HydrophobicContact CB-CG2 3.81Å; D509-T512 WeakPolarHBondContact O-CB 3.39Å; D509-T512 WeakPolarHBondContact O-CG2 2.98Å; D509-T512 PolarHBondContact O-N 2.78Å; D509-T512 PolarHBondContact O-OG1 3.06Å; Y510-T512 PolarHBondContact O-N 3.28Å; T512-H514 PolarHBondContact O-N 2.57Å; T512-H514 VanDerWaalsContact O-N 3.11Å; T512-H514 PolarHBondContact O-ND1 3.29Å
513	R	94.8	Very high	91.3	Very high	61 Å²	61	26.9 Å²	26.9	23%	0.23	15%	0.153	C	C	.	.			trans	-55.1	122	173	-158.9	174.3	-176.9	-161	-11.5	108.9	E299 P442 H443 F444 F482 P483 D484 Y510 S511	E299-R513 VanDerWaalsContact CD-NH2 3.28Å; E299-R513 IonicContact OE1-CZ 3.6Å; E299-R513 IonicContact OE1-NE 3.68Å; E299-R513 PolarHBondContact OE1-NE 3.33Å; E299-R513 IonicContact OE1-NH1 2.71Å; E299-R513 PolarHBondContact OE1-NH1 2.81Å; E299-R513 IonicContact OE1-NH2 2.78Å; E299-R513 PolarHBondContact OE1-NH2 3.12Å; E299-R513 IonicContact OE2-CZ 3.45Å; E299-R513 IonicContact OE2-NH1 3.07Å; E299-R513 PolarHBondContact OE2-NH1 3.22Å; E299-R513 IonicContact OE2-NH2 3.7Å; E299-R513 PolarHBondContact OE2-NH2 3.17Å; P442-R513 HydrophobicContact CB-CG 4.48Å; P442-R513 PolarHBondContact O-NH2 3.41Å; H443-R513 WeakPolarHBondContact O-CA 3.18Å; F444-R513 HydrophobicContact CD1-CB 4.07Å; F444-R513 HydrophobicContact CD1-CG 4.25Å; F444-R513 HydrophobicContact CD2-CG 4.5Å; F444-R513 HydrophobicContact CE1-CB 3.37Å; F444-R513 HydrophobicContact CE1-CG 3.75Å; F444-R513 HydrophobicContact CE2-CG 4.03Å; F444-R513 HydrophobicContact CZ-CB 3.63Å; F444-R513 HydrophobicContact CZ-CG 3.62Å; F482-R513 VanDerWaalsContact CA-O 3.32Å; F482-R513 WeakPolarHBondContact CA-O 3.49Å; P483-R513 WeakPolarHBondContact CD-O 3.34Å; D484-R513 WeakPolarHBondContact OD2-CB 3.49Å; Y510-R513 PolarHBondContact O-N 2.69Å; S511-R513 VanDerWaalsContact C-N 3.3Å
514	H	95.7	Very high	91.2	Very high	10 Å²	10	24.9 Å²	24.9	5%	0.046	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	162.2	-171	68	-82.3	0	0	0	112.5	P442 H443 D445 V481 F482 W499 T512	P442-H514 CarbonylContact C-O 3.55Å; P442-H514 VanDerWaalsContact CA-O 3.31Å; P442-H514 WeakPolarHBondContact CA-O 3.16Å; H443-H514 AromaticContact CE1-CD2 3.87Å; H443-H514 AromaticContact CE1-NE2 3.64Å; H443-H514 PolarHBondContact N-O 2.84Å; H443-H514 PolarHBondContact ND1-O 3.41Å; H443-H514 AromaticContact NE2-CE1 3.78Å; H443-H514 AromaticContact NE2-NE2 3.32Å; H443-H514 PolarHBondContact NE2-NE2 3.05Å; H443-H514 PolarHBondContact O-N 3.34Å; D445-H514 IonicContact OD1-CE1 3.88Å; D445-H514 IonicContact OD2-CE1 3.85Å; D445-H514 PolarHBondContact OD2-CE1 3.31Å; D445-H514 IonicContact OD2-NE2 3.03Å; V481-H514 CarbonylContact O-C 3.6Å; V481-H514 WeakPolarHBondContact O-CA 3.47Å; V481-H514 WeakPolarHBondContact O-CB 3.33Å; F482-H514 HydrophobicContact CD1-CB 3.65Å; F482-H514 HydrophobicContact CD2-CB 4.45Å; F482-H514 HydrophobicContact CE1-CB 3.65Å; F482-H514 HydrophobicContact CE2-CB 4.44Å; F482-H514 HydrophobicContact CG-CB 4.06Å; F482-H514 HydrophobicContact CZ-CB 4.05Å; W499-H514 AromaticContact CZ2-CE1 3.62Å; W499-H514 AromaticContact CZ2-ND1 3.99Å; W499-H514 AromaticContact CZ2-NE2 3.61Å; T512-H514 PolarHBondContact O-N 2.57Å; T512-H514 VanDerWaalsContact O-N 3.11Å; T512-H514 PolarHBondContact O-ND1 3.29Å
515	A	94.1	Very high	91.4	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.008	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	156.6	-175.9	0	0	0	0	0	110.4	Y303 Y440 P442 T480 V481	Y303-A515 HydrophobicContact CD2-CB 3.65Å; Y303-A515 HydrophobicContact CE2-CB 3.51Å; Y440-A515 WeakPolarHBondContact O-CA 3.31Å; Y440-A515 WeakPolarHBondContact O-CB 3.48Å; P442-A515 HydrophobicContact CB-CB 4.32Å; P442-A515 HydrophobicContact CG-CB 3.92Å; T480-A515 CarbonylContact C-O 3.56Å; T480-A515 WeakPolarHBondContact CA-O 3.25Å; V481-A515 HydrophobicContact CG2-CB 3.96Å; V481-A515 PolarHBondContact N-O 3.01Å; V481-A515 PolarHBondContact O-N 3.32Å
516	A	93.3	Very high	91.7	Very high	6 Å²	6	22.4 Å²	22.4	5%	0.05	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	113.3	168	0	0	0	0	0	109.1	Y303 Y434 Q439 Y440	Y303-A516 PolarHBondContact OH-O 2.72Å; Y434-A516 HydrophobicContact CE1-CB 4.21Å; Q439-A516 WeakPolarHBondContact CA-O 3.26Å; Q439-A516 WeakPolarHBondContact CB-O 3.39Å; Y440-A516 PolarHBondContact N-O 3.46Å; Y440-A516 PolarHBondContact O-N 2.9Å
517	C	93.8	Very high	92.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-58.7	150.1	175	-70.5	0	0	0	0	111.6	C307 G478 A479 V481 V519	C307-C517 WeakPolarHBondContact CA-SG 3.37Å; C307-C517 HydrophobicContact CB-CB 3.71Å; C307-C517 WeakPolarHBondContact CB-SG 3.34Å; C307-C517 VanDerWaalsContact SG-CA 3.56Å; C307-C517 WeakPolarHBondContact SG-CB 3.29Å; C307-C517 CovalentContact SG-SG 2.03Å; C307-C517 PolarHBondContact SG-SG 2.88Å; G478-C517 WeakPolarHBondContact CA-O 3.43Å; A479-C517 HydrophobicContact CB-CB 4.4Å; A479-C517 WeakPolarHBondContact O-CB 3.39Å; A479-C517 PolarHBondContact O-N 2.82Å; V481-C517 WeakPolarHBondContact CG1-SG 3.23Å; C517-V519 PolarHBondContact O-N 2.92Å
518	P	92.5	Very high	92.4	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-60.9	139	178.2	-19.6	34.4	0	0	0	110.5	R143 L144 T147 Y148 Y303 G438 Q439 G478 L520	R143-P518 HydrophobicContact CG-CG 4.43Å; L144-P518 HydrophobicContact CD2-CB 3.6Å; T147-P518 HydrophobicContact CG2-CG 4.03Å; Y148-P518 HydrophobicContact CE2-CB 4.29Å; Y148-P518 PolarHBondContact OH-O 2.99Å; Y303-P518 VanDerWaalsContact OH-CD 3.31Å; Y303-P518 WeakPolarHBondContact OH-CD 3.41Å; G438-P518 WeakPolarHBondContact O-CA 3.25Å; Q439-P518 HydrophobicContact CB-CB 4.34Å; Q439-P518 HydrophobicContact CB-CG 4.01Å; G478-P518 PolarHBondContact N-O 2.77Å; G478-P518 VanDerWaalsContact N-O 3.08Å; P518-L520 PolarHBondContact O-N 2.99Å
519	V	90.8	Very high	92.7	Very high	5 Å²	5	19 Å²	19	3%	0.03	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	116.6	172.9	-178.2	0	0	0	0	109	L144 G437 G438 V474 C517 G522 K524	L144-V519 WeakPolarHBondContact CD2-O 3.46Å; G437-V519 PolarHBondContact N-O 2.8Å; G438-V519 PolarHBondContact O-N 3.22Å; V474-V519 HydrophobicContact CG1-CG1 3.93Å; C517-V519 PolarHBondContact O-N 2.92Å; V519-G522 WeakPolarHBondContact CG1-O 3.41Å; V519-K524 HydrophobicContact CG2-CB 3.47Å; V519-K524 VanDerWaalsContact CG2-CB 3.47Å; V519-K524 HydrophobicContact CG2-CD 4.04Å; V519-K524 HydrophobicContact CG2-CG 4.39Å
520	L	88.8	Confident	92.8	Very high	22 Å²	22	18.3 Å²	18.3	12%	0.115	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	-49.5	178.8	-178.8	61.2	0	0	0	111	L144 Y148 L150 L160 A476 P518	L144-L520 HydrophobicContact CB-CD1 4.29Å; L144-L520 HydrophobicContact CD1-CD1 4.35Å; L144-L520 HydrophobicContact CD2-CB 4.36Å; L144-L520 HydrophobicContact CD2-CD1 4.05Å; L144-L520 HydrophobicContact CG-CD1 4.48Å; Y148-L520 HydrophobicContact CD1-CD2 4.32Å; Y148-L520 HydrophobicContact CD2-CB 4.14Å; Y148-L520 HydrophobicContact CD2-CD1 3.95Å; Y148-L520 HydrophobicContact CD2-CD2 4.23Å; Y148-L520 HydrophobicContact CD2-CG 4.32Å; Y148-L520 HydrophobicContact CE2-CB 3.82Å; Y148-L520 HydrophobicContact CE2-CD1 4.42Å; Y148-L520 HydrophobicContact CE2-CG 4.49Å; Y148-L520 HydrophobicContact CG-CD1 4.48Å; Y148-L520 HydrophobicContact CG-CD2 4.09Å; L150-L520 HydrophobicContact CD1-CD1 3.69Å; L160-L520 HydrophobicContact CD2-CD1 4.39Å; A476-L520 HydrophobicContact CB-CB 4.13Å; A476-L520 HydrophobicContact CB-CD2 4.11Å; A476-L520 HydrophobicContact CB-CG 4.35Å; A476-L520 WeakPolarHBondContact O-CB 3.38Å; A476-L520 PolarHBondContact O-N 3.01Å; P518-L520 PolarHBondContact O-N 2.99Å
521	V	87.1	Confident	93	Very high	24 Å²	24	12.8 Å²	12.8	15%	0.145	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	130.9	177.1	-177.6	0	0	0	0	109.8	L160 V163 V474 T475 A476	L160-V521 HydrophobicContact CB-CG2 4.34Å; V163-V521 HydrophobicContact CG2-CB 4.26Å; V163-V521 HydrophobicContact CG2-CG1 3.7Å; V163-V521 HydrophobicContact CG2-CG2 3.47Å; V163-V521 VanDerWaalsContact CG2-CG2 3.47Å; V474-V521 WeakPolarHBondContact CG1-O 3.16Å; T475-V521 WeakPolarHBondContact CB-O 3.47Å; T475-V521 HydrophobicContact CG2-CB 4.37Å; T475-V521 HydrophobicContact CG2-CG1 3.94Å; T475-V521 PolarHBondContact N-O 2.81Å; A476-V521 HydrophobicContact CB-CB 3.96Å; A476-V521 HydrophobicContact CB-CG2 4.08Å; A476-V521 PolarHBondContact N-O 3.12Å; A476-V521 PolarHBondContact O-N 2.92Å
522	G	84.8	Confident	93	Very high	32 Å²	32	11.4 Å²	11.4	33%	0.33	6%	0.064	S	C	.	.	E	Extended strand (participates in β ladder)	trans	107.7	-163.9	175.1	0	0	0	0	0	112.6	I32 V519	I32-G522 WeakPolarHBondContact CD1-O 3.07Å; V519-G522 WeakPolarHBondContact CG1-O 3.41Å
523	N	84.1	Confident	92.9	Very high	39 Å²	39	15.2 Å²	15.2	21%	0.209	8%	0.082	C	C	.	.			trans	-125.6	124.9	-176.3	-172.1	-1.5	0	0	0	109.9	I32 N433 S472 W525	I32-N523 HydrophobicContact CB-CB 4.35Å; I32-N523 HydrophobicContact CD1-CB 3.77Å; I32-N523 HydrophobicContact CG2-CB 4.22Å; N433-N523 PolarHBondContact ND2-OD1 3.16Å; S472-N523 VanDerWaalsContact CB-O 3.3Å; S472-N523 WeakPolarHBondContact CB-O 3.41Å; S472-N523 PolarHBondContact OG-O 3.41Å; N523-W525 PolarHBondContact ND2-NE1 3.37Å; N523-W525 VanDerWaalsContact ND2-NE1 3.16Å; N523-W525 PolarHBondContact OD1-NE1 2.95Å
524	K	90.9	Very high	92.7	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.009	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	112.7	179.4	-175.6	178.5	174.4	179.2	0	110.2	N433 Y434 S472 V474 G478 V519 V526	N433-K524 PolarHBondContact ND2-O 2.8Å; Y434-K524 HydrophobicContact CD2-CB 4.09Å; Y434-K524 HydrophobicContact CD2-CD 3.83Å; Y434-K524 HydrophobicContact CD2-CG 3.83Å; Y434-K524 HydrophobicContact CE2-CD 4.16Å; Y434-K524 HydrophobicContact CE2-CG 4.4Å; Y434-K524 HydrophobicContact CG-CD 4.41Å; Y434-K524 PolarHBondContact N-O 3.06Å; S472-K524 WeakPolarHBondContact OG-CA 3.37Å; V474-K524 HydrophobicContact CG2-CB 3.73Å; V474-K524 HydrophobicContact CG2-CG 4.05Å; G478-K524 WeakPolarHBondContact O-CE 3.49Å; G478-K524 PolarHBondContact O-NZ 2.96Å; V519-K524 HydrophobicContact CG2-CB 3.47Å; V519-K524 VanDerWaalsContact CG2-CB 3.47Å; V519-K524 HydrophobicContact CG2-CD 4.04Å; V519-K524 HydrophobicContact CG2-CG 4.39Å; K524-V526 HydrophobicContact CD-CG1 4.33Å; K524-V526 VanDerWaalsContact CE-CG1 3.45Å; K524-V526 HydrophobicContact CG-CG1 3.92Å
525	W	93.8	Very high	92.4	Very high	8 Å²	8	19.6 Å²	19.6	3%	0.03	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	127	165.5	-72.9	83.7	0	0	0	108.4	K367 K371 L374 V431 A432 N433 M471 S472 N523	K367-W525 HydrophobicContact CD-CD2 4.2Å; K367-W525 HydrophobicContact CD-CG 4.32Å; K367-W525 HydrophobicContact CG-CD2 3.99Å; K367-W525 HydrophobicContact CG-CE3 3.89Å; K367-W525 HydrophobicContact CG-CG 4.46Å; K367-W525 HydrophobicContact CG-CZ3 4.2Å; K371-W525 HydrophobicContact CG-CH2 3.92Å; K371-W525 HydrophobicContact CG-CZ2 4.49Å; L374-W525 HydrophobicContact CD1-CH2 3.63Å; L374-W525 HydrophobicContact CD1-CZ3 4.11Å; V431-W525 HydrophobicContact CG1-CE3 3.87Å; V431-W525 HydrophobicContact CG1-CZ3 3.89Å; A432-W525 WeakPolarHBondContact O-CA 3.4Å; N433-W525 HydrophobicContact CB-CD2 4.02Å; N433-W525 HydrophobicContact CB-CE3 3.96Å; N433-W525 HydrophobicContact CB-CH2 3.94Å; N433-W525 HydrophobicContact CB-CZ2 3.94Å; N433-W525 HydrophobicContact CB-CZ3 3.93Å; N433-W525 PolarHBondContact ND2-NE1 2.68Å; M471-W525 HydrophobicContact CB-CB 3.86Å; M471-W525 HydrophobicContact CE-CB 4.26Å; M471-W525 PolarHBondContact N-O 3.07Å; S472-W525 PolarHBondContact OG-N 3.07Å; N523-W525 PolarHBondContact ND2-NE1 3.37Å; N523-W525 VanDerWaalsContact ND2-NE1 3.16Å; N523-W525 PolarHBondContact OD1-NE1 2.95Å
526	V	95.6	Very high	92.4	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.006	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	161.6	173.2	-58.9	0	0	0	0	110.2	A432 Y434 L468 F469 Y470 M471 K524	A432-V526 HydrophobicContact CB-CG2 3.94Å; A432-V526 PolarHBondContact N-O 2.69Å; A432-V526 PolarHBondContact O-N 3.26Å; Y434-V526 HydrophobicContact CE2-CG2 3.7Å; L468-V526 HydrophobicContact CD1-CB 3.71Å; L468-V526 HydrophobicContact CD1-CG1 4.24Å; L468-V526 HydrophobicContact CD1-CG2 3.96Å; F469-V526 CarbonylContact O-C 3.58Å; F469-V526 WeakPolarHBondContact O-CA 3.43Å; F469-V526 VanDerWaalsContact O-CB 3.26Å; F469-V526 WeakPolarHBondContact O-CB 3.36Å; Y470-V526 HydrophobicContact CD1-CG1 3.82Å; Y470-V526 HydrophobicContact CE1-CG1 4.15Å; M471-V526 WeakPolarHBondContact CE-O 3.2Å; K524-V526 HydrophobicContact CD-CG1 4.33Å; K524-V526 VanDerWaalsContact CE-CG1 3.45Å; K524-V526 HydrophobicContact CG-CG1 3.92Å
527	S	96.4	Very high	92.2	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.007	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	130.8	171.1	180	0	0	0	0	111.1	L429 Q430 L468 F469	L429-S527 WeakPolarHBondContact CD1-OG 2.86Å; L429-S527 WeakPolarHBondContact CG-OG 3.31Å; Q430-S527 CarbonylContact O-C 3.53Å; Q430-S527 WeakPolarHBondContact O-CA 3.26Å; Q430-S527 WeakPolarHBondContact O-CB 2.96Å; Q430-S527 PolarHBondContact O-OG 3.16Å; L468-S527 CarbonylContact C-O 3.57Å; L468-S527 WeakPolarHBondContact CA-O 3.13Å; F469-S527 PolarHBondContact N-O 3.21Å; F469-S527 PolarHBondContact O-N 3.18Å
528	N	95.9	Very high	92	Very high	12 Å²	12	36.2 Å²	36.2	6%	0.064	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	138.4	176.9	-81	-29.8	0	0	0	110.3	Q430 W467 L468 W530	Q430-N528 HydrophobicContact CB-CB 4.21Å; Q430-N528 PolarHBondContact N-O 3.27Å; Q430-N528 PolarHBondContact O-N 3.28Å; Q430-N528 PolarHBondContact OE1-ND2 3.1Å; W467-N528 CarbonylContact O-C 3.46Å; W467-N528 WeakPolarHBondContact O-CA 3.25Å; L468-N528 WeakPolarHBondContact CD1-OD1 3.39Å; N528-W530 HydrophobicContact CB-CH2 4.29Å; N528-W530 HydrophobicContact CB-CZ2 4.13Å; N528-W530 HydrophobicContact CB-CZ3 4.47Å
529	K	97.3	Very high	91.8	Very high	7 Å²	7	41.6 Å²	41.6	3%	0.03	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	120	165.2	-177.5	76.9	175.2	-178	0	107.4	N412 I415 M423 E427 L429 W467	N412-K529 WeakPolarHBondContact OD1-CE 3.48Å; N412-K529 PolarHBondContact OD1-NZ 3.44Å; I415-K529 HydrophobicContact CD1-CB 3.98Å; I415-K529 HydrophobicContact CD1-CG 3.89Å; M423-K529 HydrophobicContact SD-CG 4.49Å; E427-K529 VanDerWaalsContact O-CD 3.3Å; E427-K529 WeakPolarHBondContact O-CD 3.4Å; E427-K529 VanDerWaalsContact O-CE 3.24Å; E427-K529 WeakPolarHBondContact O-CE 3.34Å; E427-K529 PolarHBondContact O-NZ 3.49Å; L429-K529 HydrophobicContact CD1-CB 4.22Å; L429-K529 HydrophobicContact CD1-CD 4.47Å; W467-K529 HydrophobicContact CB-CB 4.22Å; W467-K529 PolarHBondContact N-O 3.17Å; W467-K529 PolarHBondContact O-N 2.91Å
530	W	97.1	Very high	91.8	Very high	8 Å²	8	43.5 Å²	43.5	3%	0.03	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	128.7	177.3	-68.2	-62.7	0	0	0	110	W399 A426 E427 Q430 D445 R463 T466 N528	W399-W530 AromaticContact CH2-CE3 3.93Å; W399-W530 HydrophobicContact CH2-CE3 3.93Å; W399-W530 HydrophobicContact CH2-CH2 4.42Å; W399-W530 AromaticContact CH2-CZ3 3.35Å; W399-W530 HydrophobicContact CH2-CZ3 3.35Å; W399-W530 HydrophobicContact CZ2-CZ3 4.19Å; W399-W530 HydrophobicContact CZ3-CE3 4.06Å; W399-W530 AromaticContact CZ3-CZ3 3.77Å; W399-W530 HydrophobicContact CZ3-CZ3 3.77Å; A426-W530 CarbonylContact C-O 3.44Å; A426-W530 WeakPolarHBondContact CA-O 3.48Å; A426-W530 WeakPolarHBondContact CB-O 2.96Å; E427-W530 HydrophobicContact CB-CB 4.38Å; E427-W530 HydrophobicContact CG-CB 4.18Å; E427-W530 PolarHBondContact N-O 2.85Å; Q430-W530 HydrophobicContact CB-CZ3 4.11Å; Q430-W530 HydrophobicContact CG-CZ3 4.5Å; Q430-W530 VanDerWaalsContact NE2-CH2 3.32Å; D445-W530 PolarHBondContact OD1-NE1 2.88Å; D445-W530 PolarHBondContact OD2-NE1 3.2Å; R463-W530 HydrophobicContact CG-CB 4.02Å; R463-W530 HydrophobicContact CG-CG 4.48Å; T466-W530 VanDerWaalsContact OG1-CD1 3.31Å; N528-W530 HydrophobicContact CB-CH2 4.29Å; N528-W530 HydrophobicContact CB-CZ2 4.13Å; N528-W530 HydrophobicContact CB-CZ3 4.47Å
531	I	96.8	Very high	91.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	130.8	-176.4	-53.4	163.1	0	0	0	107.9	I415 T419 L421 M423 A426 R463 I464 A465 F498	I415-I531 HydrophobicContact CG2-CD1 4.3Å; T419-I531 HydrophobicContact CG2-CD1 4.48Å; L421-I531 HydrophobicContact CB-CD1 4.38Å; L421-I531 HydrophobicContact CB-CG2 3.97Å; L421-I531 HydrophobicContact CD1-CD1 3.81Å; L421-I531 HydrophobicContact CD1-CG2 4.13Å; M423-I531 HydrophobicContact CE-CD1 3.56Å; M423-I531 HydrophobicContact CE-CG1 3.73Å; M423-I531 HydrophobicContact CE-CG2 4.25Å; M423-I531 HydrophobicContact SD-CG1 4.26Å; A426-I531 HydrophobicContact CB-CG1 4.46Å; R463-I531 CarbonylContact C-O 3.57Å; R463-I531 WeakPolarHBondContact CA-O 3.39Å; I464-I531 HydrophobicContact CD1-CG2 4.15Å; I464-I531 HydrophobicContact CG1-CB 4.29Å; I464-I531 HydrophobicContact CG1-CG2 4.14Å; I464-I531 VanDerWaalsContact CG1-O 3.25Å; I464-I531 WeakPolarHBondContact CG1-O 3.19Å; I464-I531 PolarHBondContact N-O 2.85Å; A465-I531 HydrophobicContact CB-CD1 4.36Å; A465-I531 PolarHBondContact O-N 3.4Å; A465-I531 VanDerWaalsContact O-N 3.09Å; F498-I531 HydrophobicContact CE2-CD1 4.41Å
532	H	94.8	Very high	91.6	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	161.1	-176.7	-77	-88.5	0	0	0	113	T425 E427 F455 T460 G461 N462 Q536	T425-H532 PolarHBondContact O-CD2 2.75Å; E427-H532 WeakPolarHBondContact CG-NE2 3.29Å; E427-H532 IonicContact OE1-CE1 3.76Å; E427-H532 IonicContact OE1-NE2 2.87Å; E427-H532 PolarHBondContact OE1-NE2 3.2Å; E427-H532 VanDerWaalsContact OE1-NE2 3.12Å; F455-H532 AromaticContact CD1-CE1 3.62Å; F455-H532 AromaticContact CE1-CE1 3.89Å; T460-H532 WeakPolarHBondContact O-CB 3.47Å; T460-H532 PolarHBondContact OG1-CE1 3.48Å; T460-H532 PolarHBondContact OG1-ND1 3.04Å; T460-H532 VanDerWaalsContact OG1-ND1 3.16Å; G461-H532 PolarHBondContact O-ND1 2.84Å; N462-H532 WeakPolarHBondContact O-CA 3.32Å; H532-Q536 VanDerWaalsContact O-CG 3.23Å; H532-Q536 WeakPolarHBondContact O-CG 3.43Å
533	E	91.6	Very high	91.5	Very high	80 Å²	80	50.2 Å²	50.2	37%	0.374	24%	0.242	S	C	.	.	S	Bend	trans	-66.3	-38.2	-179	-172.9	175.5	-145.3	0	0	113.9	N462 I464 Q536	N462-E533 PolarHBondContact O-N 2.83Å; I464-E533 HydrophobicContact CG2-CB 3.69Å; I464-E533 HydrophobicContact CG2-CG 4.14Å; E533-Q536 VanDerWaalsContact O-CB 3.29Å; E533-Q536 WeakPolarHBondContact O-CB 3.42Å; E533-Q536 WeakPolarHBondContact O-CG 3.31Å; E533-Q536 PolarHBondContact O-N 3.08Å; E533-Q536 VanDerWaalsContact O-N 3.14Å
534	R	90.9	Very high	91.3	Very high	145 Å²	145	56.6 Å²	56.6	55%	0.547	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	134.6	-177.8	-172.3	173.4	-175.1	-179.7	-1.8	111.2	T425 G459 T460 Q536	T425-R534 WeakPolarHBondContact CB-O 3.44Å; T425-R534 HydrophobicContact CG2-CB 4.18Å; T425-R534 HydrophobicContact CG2-CG 4.31Å; T425-R534 WeakPolarHBondContact CG2-O 3.33Å; T425-R534 PolarHBondContact OG1-O 2.93Å; G459-R534 VanDerWaalsContact O-CD 3.31Å; G459-R534 WeakPolarHBondContact O-CD 3.06Å; G459-R534 PolarHBondContact O-NH1 2.99Å; T460-R534 WeakPolarHBondContact O-CB 3.15Å; T460-R534 PolarHBondContact O-N 2.67Å; R534-Q536 VanDerWaalsContact C-N 3.32Å
535	G	90.4	Very high	90.9	Very high	17 Å²	17	60.6 Å²	60.6	18%	0.175	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	91	-8.1	-172.6	0	0	0	0	0	113.6	E422 E537	E422-G535 WeakPolarHBondContact OE2-CA 3.15Å; G535-E537 WeakPolarHBondContact CA-OE2 3.29Å; G535-E537 PolarHBondContact N-OE1 3.05Å; G535-E537 VanDerWaalsContact N-OE1 3.08Å; G535-E537 PolarHBondContact N-OE2 3.14Å; G535-E537 VanDerWaalsContact N-OE2 3.08Å
536	Q	93.6	Very high	90	Very high	5 Å²	5	66.8 Å²	66.8	2%	0.023	33%	0.326	C	S	.	.			trans	-99.5	2.4	-178.7	-44.8	-57	-33.7	0	0	113.3	L421 E422 I464 H532 E533 R534 W538 R539 R540	L421-Q536 VanDerWaalsContact CA-OE1 3.25Å; E422-Q536 PolarHBondContact O-NE2 3.08Å; I464-Q536 HydrophobicContact CD1-CB 4.4Å; I464-Q536 HydrophobicContact CD1-CG 3.78Å; H532-Q536 VanDerWaalsContact O-CG 3.23Å; H532-Q536 WeakPolarHBondContact O-CG 3.43Å; E533-Q536 VanDerWaalsContact O-CB 3.29Å; E533-Q536 WeakPolarHBondContact O-CB 3.42Å; E533-Q536 WeakPolarHBondContact O-CG 3.31Å; E533-Q536 PolarHBondContact O-N 3.08Å; E533-Q536 VanDerWaalsContact O-N 3.14Å; R534-Q536 VanDerWaalsContact C-N 3.32Å; Q536-W538 PolarHBondContact O-N 3.07Å; Q536-R539 PolarHBondContact O-N 3.15Å; Q536-R540 HydrophobicContact CB-CB 4.27Å; Q536-R540 PolarHBondContact O-N 3.31Å
537	E	88.9	Confident	89.1	Confident	106 Å²	106	71.6 Å²	71.6	50%	0.495	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-34.1	-168.8	-58.3	81.7	179.2	0	0	112.4	G535	G535-E537 WeakPolarHBondContact CA-OE2 3.29Å; G535-E537 PolarHBondContact N-OE1 3.05Å; G535-E537 VanDerWaalsContact N-OE1 3.08Å; G535-E537 PolarHBondContact N-OE2 3.14Å; G535-E537 VanDerWaalsContact N-OE2 3.08Å
538	W	89.4	Confident	87.5	Confident	245 Å²	245	78.9 Å²	78.9	93%	0.928	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-17.3	179.7	-53.6	110.5	0	0	0	114	Q536	Q536-W538 PolarHBondContact O-N 3.07Å
539	R	89.6	Confident	87.1	Confident	113 Å²	113	82.2 Å²	82.2	43%	0.426	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-28.6	-178.8	-66.8	173.8	176	-129.8	20.4	111.6	E416 G420 E422 Q536	E416-R539 IonicContact OE1-CZ 2.68Å; E416-R539 IonicContact OE1-NH1 2.66Å; E416-R539 PolarHBondContact OE1-NH1 3.04Å; E416-R539 IonicContact OE1-NH2 3.15Å; E416-R539 PolarHBondContact OE1-NH2 3.05Å; G420-R539 WeakPolarHBondContact O-CD 3.26Å; G420-R539 PolarHBondContact O-NH1 3.45Å; E422-R539 IonicContact OE1-NH2 3.62Å; Q536-R539 PolarHBondContact O-N 3.15Å
540	R	89.7	Confident	86.5	Confident	46 Å²	46	86.2 Å²	86.2	17%	0.174	43%	0.426	C	S	.	.	S	Bend	trans	-136.5	76	-178.2	-170.2	-177.9	-173.7	-102.4	0.7	110	L421 L502 F503 Q536	L421-R540 HydrophobicContact CD2-CB 4.39Å; L502-R540 PolarHBondContact O-NH2 3.01Å; F503-R540 VanDerWaalsContact C-NH2 3.3Å; F503-R540 PolarHBondContact O-NH1 3.11Å; F503-R540 PolarHBondContact O-NH2 3.12Å; F503-R540 VanDerWaalsContact O-NH2 3.12Å; Q536-R540 HydrophobicContact CB-CB 4.27Å; Q536-R540 PolarHBondContact O-N 3.31Å
541	P	88.1	Confident	86	Confident	90 Å²	90	90.5 Å²	90.5	58%	0.584	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-65.7	148.4	-178.7	28	-34.9	0	0	0	111.7
542	C	84.9	Confident	85.3	Confident	98 Å²	98	95.8 Å²	95.8	66%	0.662	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-65.2	142.3	179.6	-56.1	0	0	0	0	112.5	A504	A504-C542 VanDerWaalsContact O-CA 3.29Å; A504-C542 WeakPolarHBondContact O-CA 3.01Å
543	G	80.7	Confident	84.7	Confident	30 Å²	30	101.8 Å²	101.8	31%	0.309	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-73.2	165.1	171.6	0	0	0	0	0	112.5	N545	G543-N545 VanDerWaalsContact C-N 3.33Å
544	L	80.8	Confident	84.3	Confident	174 Å²	174	103.2 Å²	103.2	91%	0.911	51%	0.512	S	S	*	.	S	Bend	trans	-80.2	-17.8	175.3	-64.3	176.3	0	0	0	112.8
545	N	81.8	Confident	83.8	Confident	85 Å²	85	100.2 Å²	100.2	46%	0.455	51%	0.51	S	S	.	.	S	Bend	trans	-119	150.2	-178	-70.2	-29.8	0	0	0	110.8	G543 T547 E548	G543-N545 VanDerWaalsContact C-N 3.33Å; N545-T547 VanDerWaalsContact C-N 3.26Å; N545-T547 PolarHBondContact O-N 3.5Å; N545-E548 HydrophobicContact CB-CB 4.12Å; N545-E548 HydrophobicContact CB-CG 3.87Å; N545-E548 PolarHBondContact ND2-OE1 2.83Å; N545-E548 PolarHBondContact ND2-OE2 2.8Å; N545-E548 VanDerWaalsContact ND2-OE2 3.17Å
546	E	76.8	Confident	83.3	Confident	138 Å²	138	106.6 Å²	106.6	65%	0.645	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-26.7	-176.9	-72.1	-178.3	172.1	0	0	114.1	F503 S505	F503-E546 WeakPolarHBondContact CB-O 3.23Å; S505-E546 PolarHBondContact OG-O 3.17Å
547	T	74.9	Confident	82.4	Confident	103 Å²	103	115.1 Å²	115.1	63%	0.632	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.3	13	-170.9	54.2	0	0	0	0	113.9	F503 N545	F503-T547 HydrophobicContact CE2-CG2 4.28Å; N545-T547 VanDerWaalsContact C-N 3.26Å; N545-T547 PolarHBondContact O-N 3.5Å
548	E	63.8	Low	81.9	Confident	153 Å²	153	115.9 Å²	115.9	72%	0.715	59%	0.586	S	S	*	*			trans	-90.2	0	176.5	-81.2	-179.1	175.4	0	0	113.5	A504 N545	A504-E548 WeakPolarHBondContact CB-O 3.45Å; A504-E548 PolarHBondContact N-O 2.82Å; A504-E548 VanDerWaalsContact N-O 3.13Å; N545-E548 HydrophobicContact CB-CB 4.12Å; N545-E548 HydrophobicContact CB-CG 3.87Å; N545-E548 PolarHBondContact ND2-OE1 2.83Å; N545-E548 PolarHBondContact ND2-OE2 2.8Å; N545-E548 VanDerWaalsContact ND2-OE2 3.17Å

Retrieved 548 of 548 residues in 304.7 ms (Link to these results)

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